| 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 | 38 | Very low | 36.4 | Very low | 239 Ų | 239 | 180.1 Ų | 180.1 | 100% | 1.177 | 81% | 0.809 | S | S | * | * | 0 | 87.3 | 0 | -72.7 | 175.1 | -174.3 | 0 | 0 | 107.1 | R3 | M1-R3 PolarHBondContact O-N 3.06Š| |||
| 2 | Y | 35.6 | Very low | 36.1 | Very low | 223 Ų | 223 | 173 Ų | 173 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -85 | 101.5 | 177.1 | -73.1 | -79.1 | 0 | 0 | 0 | 107.2 | W4 | Y2-W4 PolarHBondContact O-N 2.86Å; Y2-W4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | R | 29.9 | Very low | 36 | Very low | 229 Ų | 229 | 171.9 Ų | 171.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -69 | 103.4 | -179.3 | -154.2 | 170.9 | -176.3 | 174.6 | -0.7 | 106.5 | M1 Y5 | M1-R3 PolarHBondContact O-N 3.06Å; R3-Y5 PolarHBondContact O-N 3.21Å | ||
| 4 | W | 34.3 | Very low | 36 | Very low | 231 Ų | 231 | 169.7 Ų | 169.7 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -58.1 | 108.7 | 170.7 | -72.4 | 76.8 | 0 | 0 | 0 | 107.1 | Y2 N6 | Y2-W4 PolarHBondContact O-N 2.86Å; Y2-W4 VanDerWaalsContact O-N 3.12Å; W4-N6 PolarHBondContact O-N 2.74Å | ||
| 5 | Y | 37.8 | Very low | 35.7 | Very low | 226 Ų | 226 | 171.3 Ų | 171.3 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | -63.1 | 106 | 166.8 | -91.9 | -90.8 | 0 | 0 | 0 | 106.4 | R3 S7 | R3-Y5 PolarHBondContact O-N 3.21Å; Y5-S7 PolarHBondContact O-N 2.76Å; Y5-S7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | N | 35.1 | Very low | 35.6 | Very low | 135 Ų | 135 | 169.9 Ų | 169.9 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -45.6 | 116.4 | 174.2 | -86.4 | -37.5 | 0 | 0 | 0 | 109.7 | W4 S8 | W4-N6 PolarHBondContact O-N 2.74Å; N6-S8 PolarHBondContact O-N 2.94Å | ||
| 7 | S | 38.8 | Very low | 35.4 | Very low | 86 Ų | 86 | 165.7 Ų | 165.7 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -68.5 | 12 | 175 | 70.7 | 0 | 0 | 0 | 0 | 113.6 | Y5 R9 L10 | Y5-S7 PolarHBondContact O-N 2.76Å; Y5-S7 VanDerWaalsContact O-N 3.11Å; S7-R9 PolarHBondContact O-N 3.29Å; S7-L10 PolarHBondContact O-N 2.93Å |
| 8 | S | 39.5 | Very low | 35.3 | Very low | 87 Ų | 87 | 168.8 Ų | 168.8 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -74.3 | -7.3 | -176.8 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | N6 | N6-S8 PolarHBondContact O-N 2.94Š|
| 9 | R | 36.8 | Very low | 35.2 | Very low | 226 Ų | 226 | 164.4 Ų | 164.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -87.5 | -11.9 | 172.4 | -86.7 | -172.9 | 178 | 178.5 | -0.8 | 115.2 | S7 | S7-R9 PolarHBondContact O-N 3.29Š|
| 10 | L | 35.1 | Very low | 35 | Very low | 147 Ų | 147 | 162.1 Ų | 162.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -88.1 | -13.1 | 179.7 | -81.4 | 169.7 | 0 | 0 | 0 | 114.2 | S7 | S7-L10 PolarHBondContact O-N 2.93Š|
| 11 | F | 40 | Very low | 34.9 | Very low | 152 Ų | 152 | 161.7 Ų | 161.7 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -102.3 | 0.1 | -174.1 | -77.2 | -77.6 | 0 | 0 | 0 | 115.5 | ||
| 12 | S | 32.6 | Very low | 34.6 | Very low | 95 Ų | 95 | 155.7 Ų | 155.7 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -5.3 | 179.7 | 62.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 13 | L | 34.6 | Very low | 34.6 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -1.8 | -178.6 | -84.5 | 165.7 | 0 | 0 | 0 | 114.9 | ||
| 14 | L | 36 | Very low | 34.7 | Very low | 141 Ų | 141 | 147.8 Ų | 147.8 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -94.7 | 10.2 | -175.5 | -80.6 | 157.6 | 0 | 0 | 0 | 114.9 | ||
| 15 | K | 32.2 | Very low | 34.6 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -111.8 | 53.6 | 178.1 | -79.6 | -172.7 | 176.9 | -179.4 | 0 | 112.7 | ||||
| 16 | L | 33 | Very low | 34.4 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -133.6 | 90.8 | 158.3 | -77.5 | 171.5 | 0 | 0 | 0 | 109.7 | ||
| 17 | T | 32.8 | Very low | 34.3 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | 57.5 | 106.2 | 127.5 | 56.4 | 0 | 0 | 0 | 0 | 117.8 | T19 | T17-T19 PolarHBondContact O-N 3.09Š| |||
| 18 | K | 33.7 | Very low | 34.3 | Very low | 221 Ų | 221 | 140.2 Ų | 140.2 | 96% | 0.961 | 75% | 0.746 | S | S | * | * | trans | -58.1 | 75.6 | 149.8 | -66.2 | 177 | 176.1 | -179.3 | 0 | 109.7 | ||||
| 19 | T | 32.7 | Very low | 34.2 | Very low | 85 Ų | 85 | 145.2 Ų | 145.2 | 52% | 0.521 | 76% | 0.76 | S | S | . | * | trans | -101.3 | 110.7 | 160.4 | 44.3 | 0 | 0 | 0 | 0 | 106 | T17 F21 | T17-T19 PolarHBondContact O-N 3.09Å; T19-F21 PolarHBondContact O-N 2.69Å | ||
| 20 | S | 30.7 | Very low | 34.4 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -52.1 | 88.6 | 166.8 | 45.6 | 0 | 0 | 0 | 0 | 109.5 | S22 | S20-S22 PolarHBondContact O-N 2.99Š| ||
| 21 | F | 34.2 | Very low | 34.6 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | -76.5 | 92.8 | 177.1 | -118.2 | -118.3 | 0 | 0 | 0 | 107.7 | T19 N23 | T19-F21 PolarHBondContact O-N 2.69Å; F21-N23 HydrophobicContact CD1-CB 3.79Å; F21-N23 VanDerWaalsContact CD1-ND2 3.31Å; F21-N23 WeakPolarHBondContact CD1-ND2 3.35Å; F21-N23 WeakPolarHBondContact CD1-OD1 2.97Å; F21-N23 HydrophobicContact CE1-CB 4.33Å; F21-N23 WeakPolarHBondContact CE1-ND2 3.48Å; F21-N23 PolarHBondContact O-N 3.03Å | ||
| 22 | S | 30.9 | Very low | 34.4 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -82.1 | 58.9 | 162.4 | 52.3 | 0 | 0 | 0 | 0 | 108.7 | S20 Q24 | S20-S22 PolarHBondContact O-N 2.99Å; S22-Q24 PolarHBondContact O-N 3.21Å | ||
| 23 | N | 35.5 | Very low | 35 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 60% | 0.599 | 76% | 0.763 | S | S | * | * | trans | -87.5 | 90.8 | 173.1 | -85.6 | 23.4 | 0 | 0 | 0 | 108.5 | F21 P25 | F21-N23 HydrophobicContact CD1-CB 3.79Å; F21-N23 VanDerWaalsContact CD1-ND2 3.31Å; F21-N23 WeakPolarHBondContact CD1-ND2 3.35Å; F21-N23 WeakPolarHBondContact CD1-OD1 2.97Å; F21-N23 HydrophobicContact CE1-CB 4.33Å; F21-N23 WeakPolarHBondContact CE1-ND2 3.48Å; F21-N23 PolarHBondContact O-N 3.03Å; N23-P25 WeakPolarHBondContact O-CD 3.3Å | ||
| 24 | Q | 32.3 | Very low | 35.3 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 116.6 | 148.8 | -72.3 | -80.2 | -29 | 0 | 0 | 106.2 | S22 T26 | S22-Q24 PolarHBondContact O-N 3.21Å; Q24-T26 PolarHBondContact O-N 3.19Å; Q24-T26 VanDerWaalsContact O-N 3.09Å |
| 25 | P | 33.3 | Very low | 35.6 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 116.7 | 175.5 | 23.8 | -29.4 | 0 | 0 | 0 | 107.8 | N23 | N23-P25 WeakPolarHBondContact O-CD 3.3Š|
| 26 | T | 32.2 | Very low | 35.9 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 128.5 | 164.2 | 43.7 | 0 | 0 | 0 | 0 | 107.4 | Q24 L28 | Q24-T26 PolarHBondContact O-N 3.19Å; Q24-T26 VanDerWaalsContact O-N 3.09Å; T26-L28 PolarHBondContact O-N 2.88Å |
| 27 | P | 33.6 | Very low | 36.3 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | trans | -62.5 | 110 | -177.3 | -13.2 | 26.3 | 0 | 0 | 0 | 107.8 | E29 | P27-E29 PolarHBondContact O-N 3.49Š| ||
| 28 | L | 38.7 | Very low | 36.9 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | -64.7 | 125.2 | 164.7 | -75.4 | 169.9 | 0 | 0 | 0 | 106 | T26 S30 | T26-L28 PolarHBondContact O-N 2.88Å; L28-S30 PolarHBondContact O-N 3.39Å | ||
| 29 | E | 37.4 | Very low | 37.1 | Very low | 191 Ų | 191 | 130.8 Ų | 130.8 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | trans | -56.7 | 87.1 | 178.1 | -152.3 | 154.3 | -159.2 | 0 | 0 | 108 | P27 Q31 | P27-E29 PolarHBondContact O-N 3.49Å; E29-Q31 PolarHBondContact O-N 3.25Å | ||
| 30 | S | 40.1 | Very low | 37.5 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -64.9 | 112.3 | 178.8 | 54.3 | 0 | 0 | 0 | 0 | 106.2 | L28 S32 | L28-S30 PolarHBondContact O-N 3.39Å; S30-S32 PolarHBondContact O-N 3.24Å | ||
| 31 | Q | 41.3 | Very low | 37.8 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | -52.6 | 112.4 | 167.8 | -65.3 | -156.2 | -9.8 | 0 | 0 | 107.2 | E29 I33 | E29-Q31 PolarHBondContact O-N 3.25Å; Q31-I33 VanDerWaalsContact C-N 3.29Å; Q31-I33 PolarHBondContact O-N 3.09Å | ||
| 32 | S | 34.9 | Very low | 38.2 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | -64.9 | 92.4 | 179.2 | 50.2 | 0 | 0 | 0 | 0 | 107.8 | S30 D34 | S30-S32 PolarHBondContact O-N 3.24Å; S32-D34 PolarHBondContact O-N 2.96Å | ||
| 33 | I | 44.1 | Very low | 38.9 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | trans | -72.5 | 106 | 159.7 | -61.1 | 174.6 | 0 | 0 | 0 | 104.3 | Q31 V35 | Q31-I33 VanDerWaalsContact C-N 3.29Å; Q31-I33 PolarHBondContact O-N 3.09Å; I33-V35 HydrophobicContact CG2-CG2 3.93Å; I33-V35 PolarHBondContact O-N 3.07Å | ||
| 34 | D | 41.1 | Very low | 39.2 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -64.2 | 77.6 | 174.7 | -72.1 | -30.9 | 0 | 0 | 0 | 109.3 | S32 | S32-D34 PolarHBondContact O-N 2.96Š| ||
| 35 | V | 42.8 | Very low | 40.2 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 58% | 0.576 | 70% | 0.699 | S | S | * | * | trans | -77.9 | 122.9 | 165.4 | -174.7 | 0 | 0 | 0 | 0 | 105.9 | I33 A37 | I33-V35 HydrophobicContact CG2-CG2 3.93Å; I33-V35 PolarHBondContact O-N 3.07Å; V35-A37 PolarHBondContact O-N 3.43Å | ||
| 36 | P | 39.6 | Very low | 41.2 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | trans | -57.8 | 118.5 | 178.5 | 23.5 | -31.9 | 0 | 0 | 0 | 107.8 | K38 | P36-K38 PolarHBondContact O-N 2.87Š| ||
| 37 | A | 41.7 | Very low | 42.4 | Very low | 88 Ų | 88 | 121.7 Ų | 121.7 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | trans | -65.3 | 64.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | V35 D39 | V35-A37 PolarHBondContact O-N 3.43Å; A37-D39 VanDerWaalsContact C-N 3.3Å; A37-D39 PolarHBondContact O-N 3.02Å; A37-D39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | K | 43.7 | Very low | 44 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | trans | -64.5 | 111.3 | 152.8 | -124 | 180 | -177.6 | 179 | 0 | 102.2 | P36 L40 | P36-K38 PolarHBondContact O-N 2.87Å; K38-L40 PolarHBondContact O-N 3.07Å | ||
| 39 | D | 38.7 | Very low | 45.9 | Very low | 136 Ų | 136 | 117 Ų | 117 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | trans | -56.9 | 65.9 | 169 | -59.9 | -49.9 | 0 | 0 | 0 | 109.4 | A37 H41 | A37-D39 VanDerWaalsContact C-N 3.3Å; A37-D39 PolarHBondContact O-N 3.02Å; A37-D39 VanDerWaalsContact O-N 3.09Å; D39-H41 PolarHBondContact O-N 3.12Å | ||
| 40 | L | 40 | Very low | 47.8 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 68% | 0.681 | 63% | 0.628 | S | S | * | * | trans | -75.2 | 67.1 | 148.1 | -64 | 173.7 | 0 | 0 | 0 | 104.1 | K38 F42 | K38-L40 PolarHBondContact O-N 3.07Å; L40-F42 HydrophobicContact CB-CD2 4.27Å; L40-F42 PolarHBondContact O-N 3.01Å | ||
| 41 | H | 38.5 | Very low | 49.7 | Very low | 155 Ų | 155 | 114.2 Ų | 114.2 | 72% | 0.718 | 60% | 0.6 | S | S | * | * | trans | -52.8 | 82.4 | 131.9 | -86.2 | -75.7 | 0 | 0 | 0 | 104.5 | D39 D43 | D39-H41 PolarHBondContact O-N 3.12Å; H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 PolarHBondContact O-N 3.39Å | ||
| 42 | F | 41.5 | Very low | 51.5 | Low | 137 Ų | 137 | 109.7 Ų | 109.7 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | trans | -50.3 | 119.5 | 148.7 | -103.8 | -99.4 | 0 | 0 | 0 | 102.2 | L40 L44 | L40-F42 HydrophobicContact CB-CD2 4.27Å; L40-F42 PolarHBondContact O-N 3.01Å; F42-L44 HydrophobicContact CB-CD2 3.65Å; F42-L44 HydrophobicContact CB-CG 3.67Å; F42-L44 HydrophobicContact CG-CD2 4.43Å; F42-L44 VanDerWaalsContact O-CG 3.28Å; F42-L44 WeakPolarHBondContact O-CG 3.31Å; F42-L44 PolarHBondContact O-N 2.82Å | ||
| 43 | D | 45.4 | Very low | 53.4 | Low | 156 Ų | 156 | 113.6 Ų | 113.6 | 83% | 0.834 | 59% | 0.586 | S | S | * | * | trans | -64.2 | 78.8 | 165.8 | -75.7 | -39.6 | 0 | 0 | 0 | 105.3 | H41 | H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 PolarHBondContact O-N 3.39Å | ||
| 44 | L | 42.5 | Very low | 55.1 | Low | 56 Ų | 56 | 117 Ų | 117 | 29% | 0.293 | 59% | 0.59 | S | S | . | * | trans | -64.8 | 145.6 | -158.4 | -80.6 | 152.8 | 0 | 0 | 0 | 108.7 | F42 S46 S47 P80 | F42-L44 HydrophobicContact CB-CD2 3.65Å; F42-L44 HydrophobicContact CB-CG 3.67Å; F42-L44 HydrophobicContact CG-CD2 4.43Å; F42-L44 VanDerWaalsContact O-CG 3.28Å; F42-L44 WeakPolarHBondContact O-CG 3.31Å; F42-L44 PolarHBondContact O-N 2.82Å; L44-S46 PolarHBondContact O-N 3.5Å; L44-S47 PolarHBondContact O-N 3.2Å; L44-S47 PolarHBondContact O-OG 3.47Å; L44-P80 HydrophobicContact CB-CG 4.11Å; L44-P80 HydrophobicContact CD1-CG 3.76Å; L44-P80 HydrophobicContact CD2-CG 3.57Å; L44-P80 HydrophobicContact CG-CG 3.95Å | ||
| 45 | P | 52.8 | Low | 57 | Low | 37 Ų | 37 | 113.1 Ų | 113.1 | 24% | 0.24 | 57% | 0.57 | C | S | . | * | G | 310 helix | trans | -55.6 | -12.5 | 175 | 22.4 | -32.9 | 0 | 0 | 0 | 112.8 | S47 Q48 W49 | P45-S47 PolarHBondContact O-N 3.06Å; P45-S47 VanDerWaalsContact O-N 3.15Å; P45-Q48 WeakPolarHBondContact O-CA 3.32Å; P45-Q48 VanDerWaalsContact O-CB 3.22Å; P45-Q48 WeakPolarHBondContact O-CB 3.42Å; P45-Q48 PolarHBondContact O-N 2.75Å; P45-W49 VanDerWaalsContact O-CD1 3.31Å; P45-W49 PolarHBondContact O-N 3.45Å |
| 46 | S | 54.6 | Low | 58.9 | Low | 28 Ų | 28 | 118.1 Ų | 118.1 | 20% | 0.196 | 58% | 0.584 | C | S | . | * | G | 310 helix | trans | -46.1 | -36.7 | 166.6 | -45.5 | 0 | 0 | 0 | 0 | 113.9 | L44 Q48 W49 P80 | L44-S46 PolarHBondContact O-N 3.5Å; S46-Q48 PolarHBondContact O-N 3.12Å; S46-W49 WeakPolarHBondContact O-CB 3.37Å; S46-W49 PolarHBondContact O-N 3.24Å; S46-W49 VanDerWaalsContact O-N 3.09Å; S46-P80 VanDerWaalsContact OG-CG 3.29Å; S46-P80 WeakPolarHBondContact OG-CG 3.35Å |
| 47 | S | 58.5 | Low | 61 | Low | 100 Ų | 100 | 121.8 Ų | 121.8 | 70% | 0.699 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -62.9 | -28.5 | 175.9 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | L44 P45 | L44-S47 PolarHBondContact O-N 3.2Å; L44-S47 PolarHBondContact O-OG 3.47Å; P45-S47 PolarHBondContact O-N 3.06Å; P45-S47 VanDerWaalsContact O-N 3.15Å |
| 48 | Q | 66.4 | Low | 63 | Low | 153 Ų | 153 | 120 Ų | 120 | 72% | 0.715 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -82.5 | -17.4 | 176.4 | -55.6 | -179.3 | -22.3 | 0 | 0 | 112.4 | P45 S46 R50 | P45-Q48 WeakPolarHBondContact O-CA 3.32Å; P45-Q48 VanDerWaalsContact O-CB 3.22Å; P45-Q48 WeakPolarHBondContact O-CB 3.42Å; P45-Q48 PolarHBondContact O-N 2.75Å; S46-Q48 PolarHBondContact O-N 3.12Å; Q48-R50 PolarHBondContact O-N 3.45Å |
| 49 | W | 79.1 | Confident | 65 | Low | 36 Ų | 36 | 118.4 Ų | 118.4 | 14% | 0.136 | 56% | 0.562 | C | S | . | * | S | Bend | trans | -71.7 | 132 | 178.6 | -59.2 | -13 | 0 | 0 | 0 | 110.3 | P45 S46 L51 I60 P80 L81 H82 | P45-W49 VanDerWaalsContact O-CD1 3.31Å; P45-W49 PolarHBondContact O-N 3.45Å; S46-W49 WeakPolarHBondContact O-CB 3.37Å; S46-W49 PolarHBondContact O-N 3.24Å; S46-W49 VanDerWaalsContact O-N 3.09Å; W49-L51 HydrophobicContact CB-CD1 4.26Å; W49-L51 HydrophobicContact CB-CD2 4.48Å; W49-L51 HydrophobicContact CB-CG 3.86Å; W49-L51 HydrophobicContact CE3-CD1 3.87Å; W49-L51 PolarHBondContact O-N 3.1Å; W49-I60 HydrophobicContact CZ3-CG2 4.2Å; W49-P80 HydrophobicContact CH2-CB 4.14Å; W49-P80 HydrophobicContact CH2-CG 4.3Å; W49-P80 HydrophobicContact CZ3-CB 4.38Å; W49-L81 VanDerWaalsContact CH2-C 3.44Å; W49-H82 HydrophobicContact CD2-CB 4.46Å; W49-H82 AromaticContact CD2-CD2 3.5Å; W49-H82 VanDerWaalsContact CD2-CD2 3.5Å; W49-H82 AromaticContact CE2-CD2 3.99Å; W49-H82 HydrophobicContact CE3-CB 4.4Å; W49-H82 AromaticContact CE3-CD2 3.84Å; W49-H82 AromaticContact CG-CD2 3.57Å; W49-H82 HydrophobicContact CH2-CB 4.29Å; W49-H82 HydrophobicContact CZ2-CB 4.34Å; W49-H82 HydrophobicContact CZ3-CB 4.32Å |
| 50 | R | 77.5 | Confident | 67.4 | Low | 207 Ų | 207 | 115.3 Ų | 115.3 | 78% | 0.781 | 55% | 0.545 | S | S | * | . | trans | -80.3 | 63.9 | 174.5 | -71.5 | -173.2 | -74.9 | 157.1 | -2.7 | 110.1 | Q48 | Q48-R50 PolarHBondContact O-N 3.45Š| ||
| 51 | L | 78.7 | Confident | 69.9 | Low | 29 Ų | 29 | 109.2 Ų | 109.2 | 15% | 0.152 | 51% | 0.513 | C | S | . | . | trans | -83.8 | 146.5 | 174.5 | -61.5 | 177.8 | 0 | 0 | 0 | 110.6 | W49 K53 L58 I60 P83 | W49-L51 HydrophobicContact CB-CD1 4.26Å; W49-L51 HydrophobicContact CB-CD2 4.48Å; W49-L51 HydrophobicContact CB-CG 3.86Å; W49-L51 HydrophobicContact CE3-CD1 3.87Å; W49-L51 PolarHBondContact O-N 3.1Å; L51-K53 PolarHBondContact O-N 3.37Å; L51-L58 HydrophobicContact CB-CD2 4.17Å; L51-L58 HydrophobicContact CD1-CD2 3.9Å; L51-L58 HydrophobicContact CD2-CD2 4.42Å; L51-L58 HydrophobicContact CG-CD2 4.38Å; L51-I60 HydrophobicContact CD1-CD1 4.2Å; L51-I60 HydrophobicContact CD1-CG1 4.34Å; L51-P83 HydrophobicContact CD1-CG 4.33Å; L51-P83 HydrophobicContact CD2-CG 3.56Å | ||
| 52 | D | 80 | Confident | 72.5 | Confident | 88 Ų | 88 | 107.2 Ų | 107.2 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | trans | -72.5 | 97 | 172.6 | -176.4 | 9.3 | 0 | 0 | 0 | 110.1 | W54 N55 | D52-W54 PolarHBondContact O-N 2.94Å; D52-W54 PolarHBondContact OD1-N 3.29Å; D52-W54 VanDerWaalsContact OD1-N 3.14Å; D52-N55 HydrophobicContact CB-CB 4.15Å; D52-N55 WeakPolarHBondContact O-CB 3.3Å; D52-N55 PolarHBondContact O-N 2.79Å; D52-N55 VanDerWaalsContact O-N 3.12Å | ||
| 53 | K | 74.5 | Confident | 75 | Confident | 179 Ų | 179 | 101.1 Ų | 101.1 | 78% | 0.778 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.7 | -179.1 | -61.8 | -176.3 | -178.8 | -178.1 | 0 | 113.2 | L51 | L51-K53 PolarHBondContact O-N 3.37Š|
| 54 | W | 80.1 | Confident | 77.4 | Confident | 218 Ų | 218 | 99.9 Ų | 99.9 | 83% | 0.826 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -15.2 | 178.7 | -68.2 | -98.3 | 0 | 0 | 0 | 112.6 | D52 K56 | D52-W54 PolarHBondContact O-N 2.94Å; D52-W54 PolarHBondContact OD1-N 3.29Å; D52-W54 VanDerWaalsContact OD1-N 3.14Å; W54-K56 PolarHBondContact O-N 3.15Å; W54-K56 VanDerWaalsContact O-N 3.09Å |
| 55 | N | 81.3 | Confident | 79.9 | Confident | 66 Ų | 66 | 97.4 Ų | 97.4 | 35% | 0.353 | 45% | 0.45 | S | S | . | . | trans | -76.9 | 97.6 | 177.1 | -173.7 | 1.3 | 0 | 0 | 0 | 110.8 | D52 F57 L58 | D52-N55 HydrophobicContact CB-CB 4.15Å; D52-N55 WeakPolarHBondContact O-CB 3.3Å; D52-N55 PolarHBondContact O-N 2.79Å; D52-N55 VanDerWaalsContact O-N 3.12Å; N55-F57 PolarHBondContact O-N 3.33Å; N55-F57 VanDerWaalsContact O-N 3.17Å; N55-F57 PolarHBondContact OD1-N 3.27Å; N55-F57 VanDerWaalsContact OD1-N 3.11Å; N55-L58 HydrophobicContact CB-CB 4.1Å; N55-L58 WeakPolarHBondContact O-CB 3.3Å; N55-L58 PolarHBondContact O-N 2.81Å; N55-L58 VanDerWaalsContact O-N 3.14Å | ||
| 56 | K | 82.5 | Confident | 81.8 | Confident | 200 Ų | 200 | 95.9 Ų | 95.9 | 87% | 0.87 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.4 | 178.9 | -62.1 | 179.2 | -177.1 | 177.9 | 0 | 114.2 | W54 | W54-K56 PolarHBondContact O-N 3.15Å; W54-K56 VanDerWaalsContact O-N 3.09Å |
| 57 | F | 83.5 | Confident | 83.6 | Confident | 183 Ų | 183 | 95 Ų | 95 | 80% | 0.803 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 1.8 | -179.8 | -54.3 | -72.3 | 0 | 0 | 0 | 112.7 | N55 E59 | N55-F57 PolarHBondContact O-N 3.33Å; N55-F57 VanDerWaalsContact O-N 3.17Å; N55-F57 PolarHBondContact OD1-N 3.27Å; N55-F57 VanDerWaalsContact OD1-N 3.11Å; F57-E59 PolarHBondContact O-N 2.88Å; F57-E59 VanDerWaalsContact O-N 3.12Å |
| 58 | L | 83.8 | Confident | 85.1 | Confident | 50 Ų | 50 | 90.3 Ų | 90.3 | 26% | 0.262 | 40% | 0.401 | S | S | . | . | trans | -78.2 | 95.1 | 177.3 | -172 | 124 | 0 | 0 | 0 | 109.9 | L51 N55 I60 P83 | L51-L58 HydrophobicContact CB-CD2 4.17Å; L51-L58 HydrophobicContact CD1-CD2 3.9Å; L51-L58 HydrophobicContact CD2-CD2 4.42Å; L51-L58 HydrophobicContact CG-CD2 4.38Å; N55-L58 HydrophobicContact CB-CB 4.1Å; N55-L58 WeakPolarHBondContact O-CB 3.3Å; N55-L58 PolarHBondContact O-N 2.81Å; N55-L58 VanDerWaalsContact O-N 3.14Å; L58-I60 HydrophobicContact CD2-CG1 4.28Å; L58-P83 HydrophobicContact CD1-CG 4.21Å; L58-P83 HydrophobicContact CD2-CG 4.28Å; L58-P83 HydrophobicContact CG-CG 4.31Å | ||
| 59 | E | 85 | Confident | 86.2 | Confident | 142 Ų | 142 | 87.2 Ų | 87.2 | 66% | 0.664 | 39% | 0.389 | S | S | * | . | trans | -88.4 | 122.8 | 174 | -65.4 | 178.2 | -179.2 | 0 | 0 | 110.3 | F57 P61 | F57-E59 PolarHBondContact O-N 2.88Å; F57-E59 VanDerWaalsContact O-N 3.12Å; E59-P61 VanDerWaalsContact O-CD 3.28Å; E59-P61 WeakPolarHBondContact O-CD 3.5Å | ||
| 60 | I | 89.5 | Confident | 86.8 | Confident | 71 Ų | 71 | 91.9 Ų | 91.9 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | trans | -79.8 | 114.5 | 177.9 | -59.8 | 173.1 | 0 | 0 | 0 | 108 | W49 L51 L58 P80 | W49-I60 HydrophobicContact CZ3-CG2 4.2Å; L51-I60 HydrophobicContact CD1-CD1 4.2Å; L51-I60 HydrophobicContact CD1-CG1 4.34Å; L58-I60 HydrophobicContact CD2-CG1 4.28Å; I60-P80 HydrophobicContact CG2-CB 3.77Å | ||
| 61 | P | 92.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 84.2 Ų | 84.2 | 1% | 0.013 | 39% | 0.387 | C | S | . | . | trans | -61.8 | 144.2 | 174.1 | 25.5 | -32.4 | 0 | 0 | 0 | 110.1 | E59 L81 F86 R87 | E59-P61 VanDerWaalsContact O-CD 3.28Å; E59-P61 WeakPolarHBondContact O-CD 3.5Å; P61-L81 HydrophobicContact CB-CB 4.31Å; P61-L81 VanDerWaalsContact CD-O 3.32Å; P61-L81 WeakPolarHBondContact CD-O 3.3Å; P61-L81 HydrophobicContact CG-CB 3.89Å; P61-L81 VanDerWaalsContact CG-O 3.3Å; P61-L81 WeakPolarHBondContact CG-O 3.44Å; P61-L81 PolarHBondContact O-N 2.78Å; P61-F86 HydrophobicContact CG-CB 4.01Å; P61-R87 HydrophobicContact CB-CG 4.18Å; P61-R87 HydrophobicContact CG-CG 3.82Å | ||
| 62 | Q | 93.9 | Very high | 87.9 | Confident | 113 Ų | 113 | 90.1 Ų | 90.1 | 53% | 0.528 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 156.3 | 174.1 | -64.2 | 178.1 | -7.8 | 0 | 0 | 109 | L78 V79 H199 | Q62-L78 HydrophobicContact CB-CD2 4.47Å; Q62-V79 WeakPolarHBondContact CA-O 3.44Å; Q62-H199 PolarHBondContact O-NE2 2.63Å |
| 63 | A | 93.8 | Very high | 88.3 | Confident | 10 Ų | 10 | 90.3 Ų | 90.3 | 8% | 0.083 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 146.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V79 L81 I206 | A63-V79 PolarHBondContact N-O 3.35Å; A63-V79 PolarHBondContact O-N 3.09Å; A63-L81 HydrophobicContact CB-CD1 3.84Å; A63-L81 HydrophobicContact CB-CG 4.42Å; A63-I206 HydrophobicContact CB-CD1 3.48Å; A63-I206 VanDerWaalsContact CB-CD1 3.48Å; A63-I206 HydrophobicContact CB-CG1 4.12Å |
| 64 | W | 95.5 | Very high | 89.1 | Confident | 130 Ų | 130 | 85.4 Ų | 85.4 | 49% | 0.492 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 139.1 | 174.9 | -67.7 | 103 | 0 | 0 | 0 | 110.2 | R75 L78 | W64-R75 HydrophobicContact CE3-CB 4.08Å; W64-R75 HydrophobicContact CE3-CG 4.41Å; W64-L78 HydrophobicContact CD2-CD2 3.47Å; W64-L78 VanDerWaalsContact CD2-CD2 3.47Å; W64-L78 HydrophobicContact CD2-CG 4.13Å; W64-L78 HydrophobicContact CE3-CD2 3.6Å; W64-L78 HydrophobicContact CE3-CG 3.72Å; W64-L78 HydrophobicContact CG-CD2 4Å; W64-L78 HydrophobicContact CH2-CD1 3.92Å; W64-L78 HydrophobicContact CH2-CD2 4.06Å; W64-L78 HydrophobicContact CH2-CG 3.93Å; W64-L78 HydrophobicContact CZ2-CD1 4.32Å; W64-L78 HydrophobicContact CZ2-CD2 3.93Å; W64-L78 HydrophobicContact CZ2-CG 4.31Å; W64-L78 HydrophobicContact CZ3-CD1 4.09Å; W64-L78 HydrophobicContact CZ3-CD2 3.9Å; W64-L78 HydrophobicContact CZ3-CG 3.62Å |
| 65 | V | 95.4 | Very high | 89.6 | Confident | 4 Ų | 4 | 80.6 Ų | 80.6 | 2% | 0.024 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.7 | 170.2 | -164.9 | 0 | 0 | 0 | 0 | 108.4 | R75 V76 G77 V79 I206 D208 L280 | V65-R75 WeakPolarHBondContact O-CA 3.14Å; V65-V76 PolarHBondContact O-N 2.62Å; V65-G77 PolarHBondContact N-O 2.82Å; V65-V79 HydrophobicContact CG2-CB 3.87Å; V65-V79 HydrophobicContact CG2-CG2 3.29Å; V65-I206 HydrophobicContact CG1-CG2 4.33Å; V65-I206 HydrophobicContact CG2-CG2 4.32Å; V65-D208 HydrophobicContact CG1-CB 4.38Å; V65-D208 WeakPolarHBondContact CG1-OD1 3.27Å; V65-L280 HydrophobicContact CG1-CD1 4.09Å; V65-L280 HydrophobicContact CG1-CD2 3.99Å; V65-L280 HydrophobicContact CG1-CG 4.05Å; V65-L280 HydrophobicContact CG2-CD2 3.81Å |
| 66 | S | 92.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 81.3 Ų | 81.3 | 3% | 0.028 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 143.6 | -179.2 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | N74 I206 V207 D208 | S66-N74 VanDerWaalsContact CA-O 3.28Å; S66-N74 WeakPolarHBondContact CA-O 3.26Å; S66-I206 PolarHBondContact N-O 3.27Å; S66-I206 PolarHBondContact OG-O 3.29Å; S66-I206 VanDerWaalsContact OG-O 3.04Å; S66-V207 CarbonylContact O-C 3.59Å; S66-V207 WeakPolarHBondContact O-CA 3.45Å; S66-D208 PolarHBondContact O-N 2.8Å; S66-D208 VanDerWaalsContact O-N 3.08Å |
| 67 | S | 92.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 73.1 Ų | 73.1 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 156.1 | 171.1 | -46.9 | 0 | 0 | 0 | 0 | 111.2 | N74 V76 D208 R228 | S67-N74 PolarHBondContact N-O 3.37Å; S67-V76 WeakPolarHBondContact OG-CG2 3.47Å; S67-D208 PolarHBondContact OG-OD2 3.14Å; S67-R228 PolarHBondContact O-NH1 3.3Å; S67-R228 PolarHBondContact O-NH2 3.36Å |
| 68 | L | 90 | Very high | 91 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -105.6 | 13.4 | 176.7 | -58.8 | 176.1 | 0 | 0 | 0 | 113.9 | K70 V207 F210 S212 L213 W230 | L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 2.69Å; L68-V207 HydrophobicContact CD1-CG1 3.68Å; L68-V207 HydrophobicContact CD1-CG2 4.25Å; L68-V207 HydrophobicContact CD2-CG1 4.44Å; L68-V207 HydrophobicContact CD2-CG2 4.06Å; L68-V207 HydrophobicContact CG-CG1 3.64Å; L68-V207 HydrophobicContact CG-CG2 4.14Å; L68-F210 HydrophobicContact CD1-CD1 3.9Å; L68-F210 HydrophobicContact CD1-CE1 4.45Å; L68-S212 WeakPolarHBondContact CB-OG 3.28Å; L68-S212 PolarHBondContact N-OG 2.93Å; L68-L213 HydrophobicContact CB-CD2 3.67Å; L68-L213 HydrophobicContact CB-CG 3.92Å; L68-L213 HydrophobicContact CD1-CD1 4.11Å; L68-L213 HydrophobicContact CD1-CD2 3.97Å; L68-L213 HydrophobicContact CD1-CG 3.81Å; L68-L213 HydrophobicContact CG-CD2 4.34Å; L68-W230 HydrophobicContact CD2-CH2 3.74Å; L68-W230 HydrophobicContact CD2-CZ2 4.25Å |
| 69 | D | 90.2 | Very high | 91.4 | Very high | 88 Ų | 88 | 67.2 Ų | 67.2 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -68.5 | -30.8 | -179.3 | -55.5 | -52.6 | 0 | 0 | 0 | 113.4 | S212 Y220 | D69-S212 WeakPolarHBondContact OD1-CB 3.37Å; D69-S212 VanDerWaalsContact OD1-O 3.13Å; D69-Y220 PolarHBondContact O-OH 3.16Å; D69-Y220 VanDerWaalsContact O-OH 3.07Å |
| 70 | K | 90.7 | Very high | 91.8 | Very high | 134 Ų | 134 | 60.9 Ų | 60.9 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -122.8 | 153.9 | -176 | -64.3 | -176.6 | -177.5 | 178.9 | 0 | 110.1 | L68 R228 | L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 2.69Å; K70-R228 PolarHBondContact O-NH2 3.29Å |
| 71 | V | 90.4 | Very high | 92 | Very high | 47 Ų | 47 | 57.5 Ų | 57.5 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -60.9 | -51 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | Y220 D223 S227 R228 | V71-Y220 HydrophobicContact CG2-CD2 4.1Å; V71-Y220 HydrophobicContact CG2-CE2 3.53Å; V71-D223 HydrophobicContact CG1-CB 4.11Å; V71-S227 WeakPolarHBondContact CG1-OG 3.17Å; V71-S227 PolarHBondContact O-OG 3.36Å; V71-R228 PolarHBondContact O-NE 3.25Å |
| 72 | E | 90 | Very high | 92 | Very high | 152 Ų | 152 | 57.6 Ų | 57.6 | 71% | 0.71 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -61.5 | 148.4 | 175.9 | -62.3 | 176.3 | -177.8 | 0 | 0 | 112.5 | N74 R228 | E72-N74 PolarHBondContact O-N 3.48Å; E72-N74 VanDerWaalsContact O-N 3.15Å; E72-R228 PolarHBondContact O-NH2 2.88Å |
| 73 | E | 88.1 | Confident | 91.9 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | trans | -68.8 | 109.3 | 179 | -165.6 | -166.6 | 160.1 | 0 | 0 | 110.7 | R75 R228 | E73-R75 HydrophobicContact CG-CG 4.45Å; E73-R75 IonicContact OE1-CZ 3.27Å; E73-R75 IonicContact OE1-NE 3.01Å; E73-R75 PolarHBondContact OE1-NE 3Å; E73-R75 IonicContact OE1-NH2 2.81Å; E73-R75 PolarHBondContact OE1-NH2 3.02Å; E73-R75 IonicContact OE2-NE 3.48Å; E73-R75 IonicContact OE2-NH2 3.93Å; E73-R75 PolarHBondContact OE2-NH2 2.88Å; E73-R228 HydrophobicContact CB-CG 4.21Å | ||
| 74 | N | 90.4 | Very high | 91.8 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114.6 | 171.4 | -174 | 21.7 | 0 | 0 | 0 | 110.1 | S66 S67 E72 | S66-N74 VanDerWaalsContact CA-O 3.28Å; S66-N74 WeakPolarHBondContact CA-O 3.26Å; S67-N74 PolarHBondContact N-O 3.37Å; E72-N74 PolarHBondContact O-N 3.48Å; E72-N74 VanDerWaalsContact O-N 3.15Å |
| 75 | R | 91.2 | Very high | 91.7 | Very high | 117 Ų | 117 | 49.2 Ų | 49.2 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 116 | -179.7 | -63.4 | 179.8 | -179.2 | 169.2 | 7.5 | 110 | W64 V65 E73 | W64-R75 HydrophobicContact CE3-CB 4.08Å; W64-R75 HydrophobicContact CE3-CG 4.41Å; V65-R75 WeakPolarHBondContact O-CA 3.14Å; E73-R75 HydrophobicContact CG-CG 4.45Å; E73-R75 IonicContact OE1-CZ 3.27Å; E73-R75 IonicContact OE1-NE 3.01Å; E73-R75 PolarHBondContact OE1-NE 3Å; E73-R75 IonicContact OE1-NH2 2.81Å; E73-R75 PolarHBondContact OE1-NH2 3.02Å; E73-R75 IonicContact OE2-NE 3.48Å; E73-R75 IonicContact OE2-NH2 3.93Å; E73-R75 PolarHBondContact OE2-NH2 2.88Å |
| 76 | V | 91.3 | Very high | 91.8 | Very high | 81 Ų | 81 | 49.2 Ų | 49.2 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -39.3 | -178.5 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | V65 S67 D208 | V65-V76 PolarHBondContact O-N 2.62Å; S67-V76 WeakPolarHBondContact OG-CG2 3.47Å; V76-D208 WeakPolarHBondContact CG2-OD2 3.44Å |
| 77 | G | 91.5 | Very high | 91.8 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | -178.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V65 | V65-G77 PolarHBondContact N-O 2.82Å |
| 78 | L | 93.8 | Very high | 91.9 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.4 | 174.9 | -76.9 | 165.8 | 0 | 0 | 0 | 109.4 | Q62 W64 | Q62-L78 HydrophobicContact CB-CD2 4.47Å; W64-L78 HydrophobicContact CD2-CD2 3.47Å; W64-L78 VanDerWaalsContact CD2-CD2 3.47Å; W64-L78 HydrophobicContact CD2-CG 4.13Å; W64-L78 HydrophobicContact CE3-CD2 3.6Å; W64-L78 HydrophobicContact CE3-CG 3.72Å; W64-L78 HydrophobicContact CG-CD2 4Å; W64-L78 HydrophobicContact CH2-CD1 3.92Å; W64-L78 HydrophobicContact CH2-CD2 4.06Å; W64-L78 HydrophobicContact CH2-CG 3.93Å; W64-L78 HydrophobicContact CZ2-CD1 4.32Å; W64-L78 HydrophobicContact CZ2-CD2 3.93Å; W64-L78 HydrophobicContact CZ2-CG 4.31Å; W64-L78 HydrophobicContact CZ3-CD1 4.09Å; W64-L78 HydrophobicContact CZ3-CD2 3.9Å; W64-L78 HydrophobicContact CZ3-CG 3.62Å |
| 79 | V | 92.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.5 | 176 | 165.8 | 0 | 0 | 0 | 0 | 110.1 | Q62 A63 V65 L280 | Q62-V79 WeakPolarHBondContact CA-O 3.44Å; A63-V79 PolarHBondContact N-O 3.35Å; A63-V79 PolarHBondContact O-N 3.09Å; V65-V79 HydrophobicContact CG2-CB 3.87Å; V65-V79 HydrophobicContact CG2-CG2 3.29Å; V79-L280 HydrophobicContact CB-CD2 4.37Å; V79-L280 HydrophobicContact CG1-CD2 4.37Å; V79-L280 HydrophobicContact CG2-CD2 3.7Å |
| 80 | P | 93.5 | Very high | 92.2 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 7% | 0.065 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 144.3 | 171.4 | 34.3 | -38.4 | 0 | 0 | 0 | 110 | L44 S46 W49 I60 | L44-P80 HydrophobicContact CB-CG 4.11Å; L44-P80 HydrophobicContact CD1-CG 3.76Å; L44-P80 HydrophobicContact CD2-CG 3.57Å; L44-P80 HydrophobicContact CG-CG 3.95Å; S46-P80 VanDerWaalsContact OG-CG 3.29Å; S46-P80 WeakPolarHBondContact OG-CG 3.35Å; W49-P80 HydrophobicContact CH2-CB 4.14Å; W49-P80 HydrophobicContact CH2-CG 4.3Å; W49-P80 HydrophobicContact CZ3-CB 4.38Å; I60-P80 HydrophobicContact CG2-CB 3.77Å |
| 81 | L | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -117.1 | 146.9 | 177.2 | -64.7 | 179.4 | 0 | 0 | 0 | 109.3 | W49 P61 A63 F86 L204 I206 V283 | W49-L81 VanDerWaalsContact CH2-C 3.44Å; P61-L81 HydrophobicContact CB-CB 4.31Å; P61-L81 VanDerWaalsContact CD-O 3.32Å; P61-L81 WeakPolarHBondContact CD-O 3.3Å; P61-L81 HydrophobicContact CG-CB 3.89Å; P61-L81 VanDerWaalsContact CG-O 3.3Å; P61-L81 WeakPolarHBondContact CG-O 3.44Å; P61-L81 PolarHBondContact O-N 2.78Å; A63-L81 HydrophobicContact CB-CD1 3.84Å; A63-L81 HydrophobicContact CB-CG 4.42Å; L81-F86 HydrophobicContact CB-CB 4.36Å; L81-F86 HydrophobicContact CB-CD2 3.59Å; L81-F86 HydrophobicContact CB-CE2 4Å; L81-F86 HydrophobicContact CB-CG 4.04Å; L81-F86 HydrophobicContact CD1-CD1 4.05Å; L81-F86 HydrophobicContact CD1-CD2 4.17Å; L81-F86 HydrophobicContact CD1-CE1 4.21Å; L81-F86 HydrophobicContact CD1-CE2 4.29Å; L81-F86 HydrophobicContact CD1-CG 4.01Å; L81-F86 HydrophobicContact CD1-CZ 4.31Å; L81-F86 HydrophobicContact CD2-CD2 4.35Å; L81-F86 HydrophobicContact CD2-CE2 3.9Å; L81-F86 HydrophobicContact CD2-CZ 4.16Å; L81-F86 HydrophobicContact CG-CD2 4.26Å; L81-F86 HydrophobicContact CG-CE2 4.29Å; L81-L204 HydrophobicContact CD1-CD2 4.44Å; L81-I206 HydrophobicContact CD1-CD1 4.27Å; L81-I206 HydrophobicContact CD2-CD1 3.83Å; L81-I206 HydrophobicContact CG-CD1 4.44Å; L81-V283 HydrophobicContact CD2-CG1 3.57Å | ||
| 82 | H | 93 | Very high | 92.7 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | trans | -68.6 | 126.1 | -178.1 | -165.3 | -70.9 | 0 | 0 | 0 | 111 | W49 D84 V85 F86 Q287 L291 | W49-H82 HydrophobicContact CD2-CB 4.46Å; W49-H82 AromaticContact CD2-CD2 3.5Å; W49-H82 VanDerWaalsContact CD2-CD2 3.5Å; W49-H82 AromaticContact CE2-CD2 3.99Å; W49-H82 HydrophobicContact CE3-CB 4.4Å; W49-H82 AromaticContact CE3-CD2 3.84Å; W49-H82 AromaticContact CG-CD2 3.57Å; W49-H82 HydrophobicContact CH2-CB 4.29Å; W49-H82 HydrophobicContact CZ2-CB 4.34Å; W49-H82 HydrophobicContact CZ3-CB 4.32Å; H82-D84 VanDerWaalsContact CE1-CG 3.49Å; H82-D84 IonicContact CE1-OD2 2.71Å; H82-D84 PolarHBondContact CE1-OD2 2.68Å; H82-D84 WeakPolarHBondContact ND1-CB 3.33Å; H82-D84 PolarHBondContact ND1-N 3.08Å; H82-D84 VanDerWaalsContact ND1-N 3.11Å; H82-D84 PolarHBondContact O-N 3.06Å; H82-V85 HydrophobicContact CB-CG2 4.29Å; H82-V85 PolarHBondContact O-N 3.07Å; H82-V85 VanDerWaalsContact O-N 3.1Å; H82-F86 PolarHBondContact O-N 2.9Å; H82-F86 VanDerWaalsContact O-N 3.1Å; H82-Q287 HydrophobicContact CB-CG 4.49Å; H82-Q287 VanDerWaalsContact CB-OE1 3.26Å; H82-L291 VanDerWaalsContact CD2-CD1 3.46Å; H82-L291 WeakPolarHBondContact CD2-CD1 3.43Å; H82-L291 VanDerWaalsContact CE1-CD2 3.49Å; H82-L291 WeakPolarHBondContact CE1-CD2 2.99Å | ||
| 83 | P | 91.6 | Very high | 93 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.8 | -39 | -176.6 | 22.8 | -33.3 | 0 | 0 | 0 | 112.8 | L51 L58 V85 F86 R87 | L51-P83 HydrophobicContact CD1-CG 4.33Å; L51-P83 HydrophobicContact CD2-CG 3.56Å; L58-P83 HydrophobicContact CD1-CG 4.21Å; L58-P83 HydrophobicContact CD2-CG 4.28Å; L58-P83 HydrophobicContact CG-CG 4.31Å; P83-V85 PolarHBondContact O-N 3.04Å; P83-V85 VanDerWaalsContact O-N 3.1Å; P83-F86 PolarHBondContact O-N 3.18Å; P83-R87 HydrophobicContact CB-CB 4.45Å; P83-R87 WeakPolarHBondContact O-CA 3.19Å; P83-R87 VanDerWaalsContact O-CB 3.3Å; P83-R87 WeakPolarHBondContact O-CB 3.33Å; P83-R87 PolarHBondContact O-N 2.97Å |
| 84 | D | 91.2 | Very high | 93.4 | Very high | 67 Ų | 67 | 58 Ų | 58 | 36% | 0.358 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -15.6 | 178.5 | -60.4 | -9.5 | 0 | 0 | 0 | 114.8 | H82 V88 L291 L294 | H82-D84 VanDerWaalsContact CE1-CG 3.49Å; H82-D84 IonicContact CE1-OD2 2.71Å; H82-D84 PolarHBondContact CE1-OD2 2.68Å; H82-D84 WeakPolarHBondContact ND1-CB 3.33Å; H82-D84 PolarHBondContact ND1-N 3.08Å; H82-D84 VanDerWaalsContact ND1-N 3.11Å; H82-D84 PolarHBondContact O-N 3.06Å; D84-V88 WeakPolarHBondContact O-CG2 2.94Å; D84-L291 HydrophobicContact CB-CD2 4.48Å; D84-L294 HydrophobicContact CB-CD1 4.48Å |
| 85 | V | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -99 | -43.3 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | H82 P83 L195 T196 I290 L291 | H82-V85 HydrophobicContact CB-CG2 4.29Å; H82-V85 PolarHBondContact O-N 3.07Å; H82-V85 VanDerWaalsContact O-N 3.1Å; P83-V85 PolarHBondContact O-N 3.04Å; P83-V85 VanDerWaalsContact O-N 3.1Å; V85-L195 HydrophobicContact CG1-CD1 3.69Å; V85-T196 PolarHBondContact O-OG1 2.91Å; V85-I290 HydrophobicContact CG1-CD1 3.82Å; V85-I290 HydrophobicContact CG1-CG2 4.49Å; V85-I290 HydrophobicContact CG2-CB 4.28Å; V85-I290 HydrophobicContact CG2-CG2 3.85Å; V85-L291 HydrophobicContact CG2-CD2 4.33Å; V85-L291 HydrophobicContact CG2-CG 4.42Å |
| 86 | F | 95.7 | Very high | 94 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.022 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -107.2 | -4.6 | -170.5 | -66.8 | -84 | 0 | 0 | 0 | 115.1 | P61 L81 H82 P83 L195 T196 H199 L204 Q287 | P61-F86 HydrophobicContact CG-CB 4.01Å; L81-F86 HydrophobicContact CB-CB 4.36Å; L81-F86 HydrophobicContact CB-CD2 3.59Å; L81-F86 HydrophobicContact CB-CE2 4Å; L81-F86 HydrophobicContact CB-CG 4.04Å; L81-F86 HydrophobicContact CD1-CD1 4.05Å; L81-F86 HydrophobicContact CD1-CD2 4.17Å; L81-F86 HydrophobicContact CD1-CE1 4.21Å; L81-F86 HydrophobicContact CD1-CE2 4.29Å; L81-F86 HydrophobicContact CD1-CG 4.01Å; L81-F86 HydrophobicContact CD1-CZ 4.31Å; L81-F86 HydrophobicContact CD2-CD2 4.35Å; L81-F86 HydrophobicContact CD2-CE2 3.9Å; L81-F86 HydrophobicContact CD2-CZ 4.16Å; L81-F86 HydrophobicContact CG-CD2 4.26Å; L81-F86 HydrophobicContact CG-CE2 4.29Å; H82-F86 PolarHBondContact O-N 2.9Å; H82-F86 VanDerWaalsContact O-N 3.1Å; P83-F86 PolarHBondContact O-N 3.18Å; F86-L195 HydrophobicContact CD1-CB 4.07Å; F86-L195 HydrophobicContact CE1-CB 3.95Å; F86-L195 HydrophobicContact CE1-CD2 4.19Å; F86-L195 HydrophobicContact CE1-CG 4.45Å; F86-T196 WeakPolarHBondContact CA-OG1 3.38Å; F86-T196 WeakPolarHBondContact O-CB 3.23Å; F86-T196 WeakPolarHBondContact O-CG2 3.32Å; F86-T196 PolarHBondContact O-OG1 3.42Å; F86-H199 HydrophobicContact CD1-CB 4.19Å; F86-L204 HydrophobicContact CD1-CD2 3.96Å; F86-L204 HydrophobicContact CE1-CD2 3.43Å; F86-L204 VanDerWaalsContact CE1-CD2 3.43Å; F86-L204 HydrophobicContact CZ-CD2 4.35Å; F86-Q287 HydrophobicContact CE2-CG 4Å |
| 87 | R | 93.5 | Very high | 94.4 | Very high | 130 Ų | 130 | 55 Ų | 55 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -121 | 34.4 | 174.9 | -66.8 | -63.9 | -161.1 | -178.6 | 3 | 112.2 | P61 P83 | P61-R87 HydrophobicContact CB-CG 4.18Å; P61-R87 HydrophobicContact CG-CG 3.82Å; P83-R87 HydrophobicContact CB-CB 4.45Å; P83-R87 WeakPolarHBondContact O-CA 3.19Å; P83-R87 VanDerWaalsContact O-CB 3.3Å; P83-R87 WeakPolarHBondContact O-CB 3.33Å; P83-R87 PolarHBondContact O-N 2.97Å |
| 88 | V | 93.5 | Very high | 94.7 | Very high | 20 Ų | 20 | 53.7 Ų | 53.7 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | trans | -79.7 | 135.5 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | D84 P90 Y189 C192 T193 T196 | D84-V88 WeakPolarHBondContact O-CG2 2.94Å; V88-P90 WeakPolarHBondContact O-CD 2.96Å; V88-P90 VanDerWaalsContact O-N 3.11Å; V88-Y189 HydrophobicContact CG1-CD2 3.94Å; V88-Y189 HydrophobicContact CG1-CE1 4.11Å; V88-Y189 HydrophobicContact CG1-CE2 3.29Å; V88-Y189 VanDerWaalsContact CG1-CZ 3.41Å; V88-C192 HydrophobicContact CB-CB 4.21Å; V88-C192 HydrophobicContact CG2-CB 3.67Å; V88-T193 HydrophobicContact CG1-CG2 3.88Å; V88-T196 PolarHBondContact N-OG1 3.04Å; V88-T196 VanDerWaalsContact N-OG1 3.11Å; V88-T196 WeakPolarHBondContact O-CG2 3.39Å | ||
| 89 | V | 94 | Very high | 94.8 | Very high | 103 Ų | 103 | 51.2 Ų | 51.2 | 62% | 0.624 | 26% | 0.258 | S | S | * | . | trans | -52.8 | 120 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | R91 Y189 T193 | V89-R91 PolarHBondContact O-N 3.41Å; V89-Y189 PolarHBondContact O-OH 2.84Å; V89-T193 WeakPolarHBondContact O-CG2 3.37Å | ||
| 90 | P | 93.2 | Very high | 95.1 | Very high | 80 Ų | 80 | 51.8 Ų | 51.8 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | trans | -70.6 | 108 | -174.8 | 27.5 | -34.4 | 0 | 0 | 0 | 110.5 | V88 V197 | V88-P90 WeakPolarHBondContact O-CD 2.96Å; V88-P90 VanDerWaalsContact O-N 3.11Å; P90-V197 HydrophobicContact CB-CG2 3.61Å | ||
| 91 | R | 95 | Very high | 95.3 | Very high | 121 Ų | 121 | 53.2 Ų | 53.2 | 46% | 0.457 | 27% | 0.266 | S | S | . | . | trans | -107.7 | 105.5 | 177.1 | -65.1 | -177.3 | 61.8 | -175.4 | 0.6 | 111.1 | V89 D93 I94 L95 Y189 | V89-R91 PolarHBondContact O-N 3.41Å; R91-D93 PolarHBondContact O-N 3Å; R91-I94 HydrophobicContact CB-CB 4.46Å; R91-I94 HydrophobicContact CB-CD1 4.17Å; R91-I94 HydrophobicContact CB-CG1 4.37Å; R91-I94 PolarHBondContact O-N 3.18Å; R91-I94 VanDerWaalsContact O-N 3.14Å; R91-L95 PolarHBondContact O-N 2.75Å; R91-Y189 HydrophobicContact CB-CE1 4.04Å; R91-Y189 WeakPolarHBondContact CD-OH 3.18Å; R91-Y189 HydrophobicContact CG-CE1 4.01Å | ||
| 92 | I | 95.5 | Very high | 95.4 | Very high | 138 Ų | 138 | 54.8 Ų | 54.8 | 71% | 0.708 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.3 | -37.4 | -179.6 | -57.7 | 171.4 | 0 | 0 | 0 | 111.4 | I94 L95 H96 | I92-I94 VanDerWaalsContact C-N 3.27Å; I92-I94 PolarHBondContact O-N 2.81Å; I92-L95 PolarHBondContact O-N 2.89Å; I92-H96 WeakPolarHBondContact O-CB 3.49Å; I92-H96 PolarHBondContact O-N 3.46Å |
| 93 | D | 97.6 | Very high | 95.5 | Very high | 105 Ų | 105 | 57.8 Ų | 57.8 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.8 | -38.6 | 179.5 | -58.1 | -31.2 | 0 | 0 | 0 | 112.6 | R91 Q97 | R91-D93 PolarHBondContact O-N 3Å; D93-Q97 VanDerWaalsContact O-CG 3.3Å; D93-Q97 WeakPolarHBondContact O-CG 3.41Å; D93-Q97 PolarHBondContact O-N 3.07Å |
| 94 | I | 96.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.8 | -37.6 | -177.7 | -66 | 171.7 | 0 | 0 | 0 | 110.7 | R91 I92 H96 Q97 N98 I186 Y189 | R91-I94 HydrophobicContact CB-CB 4.46Å; R91-I94 HydrophobicContact CB-CD1 4.17Å; R91-I94 HydrophobicContact CB-CG1 4.37Å; R91-I94 PolarHBondContact O-N 3.18Å; R91-I94 VanDerWaalsContact O-N 3.14Å; I92-I94 VanDerWaalsContact C-N 3.27Å; I92-I94 PolarHBondContact O-N 2.81Å; I94-H96 VanDerWaalsContact C-N 3.33Å; I94-Q97 PolarHBondContact O-N 2.7Å; I94-N98 PolarHBondContact O-N 3.16Å; I94-N98 PolarHBondContact O-ND2 3.37Å; I94-I186 HydrophobicContact CG2-CG2 3.85Å; I94-I186 WeakPolarHBondContact CG2-O 3.49Å; I94-Y189 HydrophobicContact CB-CD1 4.08Å; I94-Y189 HydrophobicContact CD1-CD1 3.23Å; I94-Y189 HydrophobicContact CD1-CE1 3.41Å; I94-Y189 VanDerWaalsContact CD1-CE1 3.41Å; I94-Y189 HydrophobicContact CD1-CG 4.13Å; I94-Y189 HydrophobicContact CG1-CD1 4.22Å; I94-Y189 HydrophobicContact CG2-CD1 3.79Å |
| 95 | L | 96.2 | Very high | 95.8 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 169.6 | -73 | 177.4 | 0 | 0 | 0 | 111 | R91 I92 Q97 N98 V99 G190 T193 A194 | R91-L95 PolarHBondContact O-N 2.75Å; I92-L95 PolarHBondContact O-N 2.89Å; L95-Q97 PolarHBondContact O-N 3Å; L95-N98 PolarHBondContact O-N 3.48Å; L95-V99 WeakPolarHBondContact O-CG2 3.16Å; L95-V99 PolarHBondContact O-N 3.47Å; L95-G190 VanDerWaalsContact CD2-O 3.24Å; L95-G190 WeakPolarHBondContact CD2-O 3.5Å; L95-T193 WeakPolarHBondContact CD2-OG1 3.4Å; L95-A194 HydrophobicContact CD2-CB 3.73Å |
| 96 | H | 97.9 | Very high | 95.7 | Very high | 119 Ų | 119 | 69.7 Ų | 69.7 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.4 | -45.5 | 177.1 | 176.9 | -101.3 | 0 | 0 | 0 | 112 | I92 I94 N98 V99 V100 | I92-H96 WeakPolarHBondContact O-CB 3.49Å; I92-H96 PolarHBondContact O-N 3.46Å; I94-H96 VanDerWaalsContact C-N 3.33Å; H96-N98 VanDerWaalsContact C-N 3.3Å; H96-N98 PolarHBondContact O-N 3.41Å; H96-V99 PolarHBondContact O-N 3.43Å; H96-V100 WeakPolarHBondContact NE2-CG2 3.49Å; H96-V100 WeakPolarHBondContact O-CB 3.37Å; H96-V100 VanDerWaalsContact O-CG2 3.3Å; H96-V100 WeakPolarHBondContact O-CG2 3.31Å; H96-V100 PolarHBondContact O-N 2.89Å |
| 97 | Q | 97.9 | Very high | 95.5 | Very high | 76 Ų | 76 | 70.9 Ų | 70.9 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 176.5 | -76.4 | 177 | 29.8 | 0 | 0 | 112.6 | D93 I94 L95 W101 | D93-Q97 VanDerWaalsContact O-CG 3.3Å; D93-Q97 WeakPolarHBondContact O-CG 3.41Å; D93-Q97 PolarHBondContact O-N 3.07Å; I94-Q97 PolarHBondContact O-N 2.7Å; L95-Q97 PolarHBondContact O-N 3Å; Q97-W101 WeakPolarHBondContact O-CB 3.37Å; Q97-W101 PolarHBondContact O-N 3.24Å |
| 98 | N | 97.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 177 | -85.8 | -75.8 | 0 | 0 | 0 | 112.5 | I94 L95 H96 W101 Q102 L182 I186 R187 G190 C267 | I94-N98 PolarHBondContact O-N 3.16Å; I94-N98 PolarHBondContact O-ND2 3.37Å; L95-N98 PolarHBondContact O-N 3.48Å; H96-N98 VanDerWaalsContact C-N 3.3Å; H96-N98 PolarHBondContact O-N 3.41Å; N98-W101 PolarHBondContact O-N 3.42Å; N98-Q102 VanDerWaalsContact O-CG 3.31Å; N98-Q102 WeakPolarHBondContact O-CG 3.23Å; N98-Q102 PolarHBondContact O-N 3.29Å; N98-L182 WeakPolarHBondContact OD1-CD2 3.33Å; N98-I186 PolarHBondContact ND2-O 3.25Å; N98-R187 VanDerWaalsContact OD1-CA 3.29Å; N98-R187 WeakPolarHBondContact OD1-CA 3.29Å; N98-G190 WeakPolarHBondContact ND2-CA 3.38Å; N98-C267 HydrophobicContact CB-CB 4.13Å |
| 99 | V | 97.7 | Very high | 95.2 | Very high | 27 Ų | 27 | 68.4 Ų | 68.4 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 177.8 | 170 | 0 | 0 | 0 | 0 | 111 | L95 H96 W101 Q102 L103 F268 L271 | L95-V99 WeakPolarHBondContact O-CG2 3.16Å; L95-V99 PolarHBondContact O-N 3.47Å; H96-V99 PolarHBondContact O-N 3.43Å; V99-W101 VanDerWaalsContact C-N 3.31Å; V99-W101 PolarHBondContact O-N 3.3Å; V99-Q102 PolarHBondContact O-N 3.29Å; V99-L103 HydrophobicContact CG1-CD1 3.86Å; V99-L103 HydrophobicContact CG1-CG 4.34Å; V99-L103 WeakPolarHBondContact O-CB 3.34Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.29Å; V99-L103 PolarHBondContact O-N 3.47Å; V99-F268 HydrophobicContact CG1-CD2 4.22Å; V99-L271 HydrophobicContact CG2-CD1 3.63Å |
| 100 | V | 97.9 | Very high | 94.9 | Very high | 41 Ų | 41 | 71 Ų | 71 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 111 | H96 L103 N104 | H96-V100 WeakPolarHBondContact NE2-CG2 3.49Å; H96-V100 WeakPolarHBondContact O-CB 3.37Å; H96-V100 VanDerWaalsContact O-CG2 3.3Å; H96-V100 WeakPolarHBondContact O-CG2 3.31Å; H96-V100 PolarHBondContact O-N 2.89Å; V100-L103 PolarHBondContact O-N 2.99Å; V100-N104 VanDerWaalsContact CG1-ND2 3.3Å; V100-N104 WeakPolarHBondContact CG1-ND2 3.28Å; V100-N104 VanDerWaalsContact O-CB 3.29Å; V100-N104 WeakPolarHBondContact O-CB 3.28Å; V100-N104 PolarHBondContact O-N 3.34Å; V100-N104 PolarHBondContact O-ND2 3.35Å; V100-N104 VanDerWaalsContact O-ND2 3.13Å |
| 101 | W | 97 | Very high | 94.6 | Very high | 41 Ų | 41 | 71.3 Ų | 71.3 | 16% | 0.155 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 174.5 | 166.6 | 62.6 | 0 | 0 | 0 | 111.4 | Q97 N98 V99 L103 N104 Y105 Y180 L182 R187 | Q97-W101 WeakPolarHBondContact O-CB 3.37Å; Q97-W101 PolarHBondContact O-N 3.24Å; N98-W101 PolarHBondContact O-N 3.42Å; V99-W101 VanDerWaalsContact C-N 3.31Å; V99-W101 PolarHBondContact O-N 3.3Å; W101-L103 PolarHBondContact O-N 3.44Å; W101-N104 PolarHBondContact O-N 3.33Å; W101-Y105 WeakPolarHBondContact O-CB 3.32Å; W101-Y105 PolarHBondContact O-N 3.22Å; W101-Y180 WeakPolarHBondContact CA-OH 3.25Å; W101-Y180 HydrophobicContact CB-CE2 4.18Å; W101-Y180 AromaticContact CD1-CE2 3.95Å; W101-Y180 HydrophobicContact CG-CE2 4.41Å; W101-Y180 PolarHBondContact NE1-O 3.14Å; W101-L182 HydrophobicContact CB-CB 4.26Å; W101-L182 HydrophobicContact CB-CD2 4.08Å; W101-L182 HydrophobicContact CD2-CB 3.84Å; W101-L182 HydrophobicContact CD2-CD2 4.31Å; W101-L182 HydrophobicContact CE3-CB 4.42Å; W101-L182 HydrophobicContact CE3-CD2 4.25Å; W101-L182 HydrophobicContact CG-CB 3.7Å; W101-L182 HydrophobicContact CG-CD2 4.23Å; W101-R187 HydrophobicContact CE3-CG 4.14Å; W101-R187 HydrophobicContact CH2-CG 4.3Å; W101-R187 VanDerWaalsContact CZ3-CD 3.42Å; W101-R187 HydrophobicContact CZ3-CG 3.9Å |
| 102 | Q | 96.2 | Very high | 94 | Very high | 32 Ų | 32 | 70.5 Ų | 70.5 | 15% | 0.15 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 178.8 | -72.3 | 167.5 | -8 | 0 | 0 | 112.7 | N98 V99 Y105 R106 | N98-Q102 VanDerWaalsContact O-CG 3.31Å; N98-Q102 WeakPolarHBondContact O-CG 3.23Å; N98-Q102 PolarHBondContact O-N 3.29Å; V99-Q102 PolarHBondContact O-N 3.29Å; Q102-Y105 PolarHBondContact O-N 2.94Å; Q102-R106 PolarHBondContact O-N 2.89Å |
| 103 | L | 96.2 | Very high | 93.4 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 175.3 | -72 | 173.4 | 0 | 0 | 0 | 112.1 | V99 V100 W101 R106 S107 F268 | V99-L103 HydrophobicContact CG1-CD1 3.86Å; V99-L103 HydrophobicContact CG1-CG 4.34Å; V99-L103 WeakPolarHBondContact O-CB 3.34Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.29Å; V99-L103 PolarHBondContact O-N 3.47Å; V100-L103 PolarHBondContact O-N 2.99Å; W101-L103 PolarHBondContact O-N 3.44Å; L103-R106 WeakPolarHBondContact O-CG 3.3Å; L103-S107 WeakPolarHBondContact O-CB 3.32Å; L103-S107 PolarHBondContact O-N 2.93Å; L103-F268 HydrophobicContact CD2-CD2 4.28Å; L103-F268 HydrophobicContact CD2-CE2 3.85Å; L103-F268 HydrophobicContact CG-CE2 4.49Å |
| 104 | N | 95.5 | Very high | 92.7 | Very high | 39 Ų | 39 | 63 Ų | 63 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.3 | -32.6 | 176.8 | -78.3 | -38.3 | 0 | 0 | 0 | 112.3 | V100 W101 S107 R178 F179 Y180 | V100-N104 VanDerWaalsContact CG1-ND2 3.3Å; V100-N104 WeakPolarHBondContact CG1-ND2 3.28Å; V100-N104 VanDerWaalsContact O-CB 3.29Å; V100-N104 WeakPolarHBondContact O-CB 3.28Å; V100-N104 PolarHBondContact O-N 3.34Å; V100-N104 PolarHBondContact O-ND2 3.35Å; V100-N104 VanDerWaalsContact O-ND2 3.13Å; W101-N104 PolarHBondContact O-N 3.33Å; N104-S107 PolarHBondContact O-N 3.47Å; N104-S107 VanDerWaalsContact O-N 3.12Å; N104-R178 HydrophobicContact CB-CB 4.28Å; N104-R178 CarbonylContact O-C 3.57Å; N104-F179 PolarHBondContact O-N 3.39Å; N104-Y180 HydrophobicContact CB-CE1 4.14Å |
| 105 | Y | 93.6 | Very high | 92.2 | Very high | 140 Ų | 140 | 64 Ų | 64 | 55% | 0.549 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.7 | -163.8 | -83.5 | 0 | 0 | 0 | 111.6 | W101 Q102 S107 F179 | W101-Y105 WeakPolarHBondContact O-CB 3.32Å; W101-Y105 PolarHBondContact O-N 3.22Å; Q102-Y105 PolarHBondContact O-N 2.94Å; Y105-S107 PolarHBondContact O-N 2.99Å; Y105-F179 HydrophobicContact CD2-CB 3.88Å; Y105-F179 HydrophobicContact CE2-CB 4.38Å; Y105-F179 HydrophobicContact CG-CB 4.33Å |
| 106 | R | 90.7 | Very high | 91.5 | Very high | 147 Ų | 147 | 69.3 Ų | 69.3 | 56% | 0.555 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.7 | 176.1 | 86.4 | 171.7 | 74.6 | 142.9 | 2.1 | 113.9 | Q102 L103 F268 | Q102-R106 PolarHBondContact O-N 2.89Å; L103-R106 WeakPolarHBondContact O-CG 3.3Å; R106-F268 VanDerWaalsContact NH2-CE1 3.26Å; R106-F268 VanDerWaalsContact NH2-CZ 3.32Å |
| 107 | S | 92.2 | Very high | 90.8 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | trans | -101.8 | 125.7 | -164.3 | -153.7 | 0 | 0 | 0 | 0 | 114.2 | L103 N104 Y105 R178 | L103-S107 WeakPolarHBondContact O-CB 3.32Å; L103-S107 PolarHBondContact O-N 2.93Å; N104-S107 PolarHBondContact O-N 3.47Å; N104-S107 VanDerWaalsContact O-N 3.12Å; Y105-S107 PolarHBondContact O-N 2.99Å; S107-R178 PolarHBondContact O-N 3.45Å; S107-R178 PolarHBondContact OG-NH1 2.97Å; S107-R178 PolarHBondContact OG-NH2 3.33Å | ||
| 108 | V | 92.7 | Very high | 90.1 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 38% | 0.376 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.9 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | F110 T177 | V108-F110 HydrophobicContact CB-CE2 3.92Å; V108-F110 HydrophobicContact CB-CZ 4.27Å; V108-F110 HydrophobicContact CG1-CD2 4.22Å; V108-F110 HydrophobicContact CG1-CE1 4.2Å; V108-F110 HydrophobicContact CG1-CE2 3.73Å; V108-F110 HydrophobicContact CG1-CZ 3.72Å; V108-T177 HydrophobicContact CG2-CG2 4.44Å |
| 109 | S | 88.6 | Confident | 89.3 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 111 | 175 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | V111 P175 R176 | S109-V111 PolarHBondContact O-N 3.49Å; S109-V111 WeakPolarHBondContact OG-CG2 3.46Å; S109-P175 CarbonylContact O-C 3.4Å; S109-P175 WeakPolarHBondContact O-CA 3.48Å; S109-R176 PolarHBondContact N-O 2.65Å; S109-R176 PolarHBondContact O-N 2.88Å |
| 110 | F | 86.8 | Confident | 88.1 | Confident | 159 Ų | 159 | 70.9 Ų | 70.9 | 70% | 0.697 | 36% | 0.362 | S | S | * | . | trans | -86.5 | 11.7 | 175.1 | -68.2 | -82.7 | 0 | 0 | 0 | 113.6 | V108 K112 P175 | V108-F110 HydrophobicContact CB-CE2 3.92Å; V108-F110 HydrophobicContact CB-CZ 4.27Å; V108-F110 HydrophobicContact CG1-CD2 4.22Å; V108-F110 HydrophobicContact CG1-CE1 4.2Å; V108-F110 HydrophobicContact CG1-CE2 3.73Å; V108-F110 HydrophobicContact CG1-CZ 3.72Å; F110-K112 PolarHBondContact O-N 3.01Å; F110-P175 HydrophobicContact CD1-CB 3.94Å; F110-P175 HydrophobicContact CE1-CB 4.14Å | ||
| 111 | V | 86.2 | Confident | 86.9 | Confident | 86 Ų | 86 | 70.4 Ų | 70.4 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | trans | -69.1 | 122.5 | -175.2 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | S109 P172 | S109-V111 PolarHBondContact O-N 3.49Å; S109-V111 WeakPolarHBondContact OG-CG2 3.46Å; V111-P172 HydrophobicContact CB-CB 4.4Å; V111-P172 HydrophobicContact CB-CG 4.24Å; V111-P172 HydrophobicContact CG1-CB 4.24Å; V111-P172 HydrophobicContact CG1-CG 3.54Å; V111-P172 WeakPolarHBondContact O-CB 3.3Å | ||
| 112 | K | 82.6 | Confident | 85.6 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 45% | 0.452 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -126.3 | 123.4 | 173.3 | -175.7 | -176.5 | 172.7 | 87.8 | 0 | 109.3 | F110 E118 | F110-K112 PolarHBondContact O-N 3.01Å; K112-E118 VanDerWaalsContact CE-OE1 3.26Å; K112-E118 WeakPolarHBondContact CE-OE1 3.48Å; K112-E118 IonicContact NZ-OE1 2.71Å; K112-E118 PolarHBondContact NZ-OE1 2.93Å |
| 113 | A | 84 | Confident | 84.3 | Confident | 10 Ų | 10 | 72 Ų | 72 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 127.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | T115 I168 P172 | A113-T115 PolarHBondContact O-N 2.88Å; A113-I168 HydrophobicContact CB-CB 4.12Å; A113-I168 HydrophobicContact CB-CD1 3.94Å; A113-I168 HydrophobicContact CB-CG2 4.24Å; A113-P172 HydrophobicContact CB-CG 3.99Å; A113-P172 PolarHBondContact N-O 3.07Å |
| 114 | L | 83.1 | Confident | 83.4 | Confident | 74 Ų | 74 | 79 Ų | 79 | 39% | 0.387 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 127.1 | -178.7 | -63.3 | 178.9 | 0 | 0 | 0 | 110.6 | E118 M119 I168 | L114-E118 HydrophobicContact CB-CB 4.42Å; L114-E118 HydrophobicContact CD2-CB 4.08Å; L114-M119 HydrophobicContact CB-CG 4.02Å; L114-M119 HydrophobicContact CB-SD 3.31Å; L114-M119 WeakPolarHBondContact CB-SD 3.19Å; L114-M119 HydrophobicContact CD1-SD 3.65Å; L114-M119 HydrophobicContact CG-SD 4.12Å; L114-I168 PolarHBondContact O-N 2.98Å |
| 115 | T | 86.2 | Confident | 82.9 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 22% | 0.215 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 161 | 176.5 | -39.1 | 0 | 0 | 0 | 0 | 109.7 | A113 G117 E118 M119 R173 | A113-T115 PolarHBondContact O-N 2.88Å; T115-G117 PolarHBondContact O-N 2.9Å; T115-E118 WeakPolarHBondContact CB-OE2 3.24Å; T115-E118 PolarHBondContact N-OE2 2.84Å; T115-E118 PolarHBondContact O-N 3.22Å; T115-E118 PolarHBondContact OG1-OE2 2.97Å; T115-M119 WeakPolarHBondContact O-CG 3.38Å; T115-M119 PolarHBondContact O-N 3.27Å; T115-R173 VanDerWaalsContact OG1-CZ 3.3Å; T115-R173 PolarHBondContact OG1-NE 3.2Å; T115-R173 PolarHBondContact OG1-NH2 3.21Å |
| 116 | R | 81.3 | Confident | 82.3 | Confident | 130 Ų | 130 | 75.8 Ų | 75.8 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -26 | 174.6 | 65.4 | 177.9 | -71.4 | -171.6 | -4.5 | 114.7 | R141 | R116-R141 HydrophobicContact CB-CB 4.27Å; R116-R141 WeakPolarHBondContact CB-O 3.33Å; R116-R141 WeakPolarHBondContact O-CD 3.44Å; R116-R141 PolarHBondContact O-NH1 2.66Å |
| 117 | G | 83 | Confident | 82.1 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 60% | 0.598 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T115 R141 | T115-G117 PolarHBondContact O-N 2.9Å; G117-R141 PolarHBondContact O-NH1 3.04Å; G117-R141 VanDerWaalsContact O-NH1 3.11Å |
| 118 | E | 83.9 | Confident | 81.9 | Confident | 84 Ų | 84 | 74.1 Ų | 74.1 | 39% | 0.393 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -23.9 | -176.3 | -59.3 | 166.6 | 137.6 | 0 | 0 | 112.3 | K112 L114 T115 | K112-E118 VanDerWaalsContact CE-OE1 3.26Å; K112-E118 WeakPolarHBondContact CE-OE1 3.48Å; K112-E118 IonicContact NZ-OE1 2.71Å; K112-E118 PolarHBondContact NZ-OE1 2.93Å; L114-E118 HydrophobicContact CB-CB 4.42Å; L114-E118 HydrophobicContact CD2-CB 4.08Å; T115-E118 WeakPolarHBondContact CB-OE2 3.24Å; T115-E118 PolarHBondContact N-OE2 2.84Å; T115-E118 PolarHBondContact O-N 3.22Å; T115-E118 PolarHBondContact OG1-OE2 2.97Å |
| 119 | M | 80 | Confident | 81.7 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 10% | 0.099 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -60.2 | 138.1 | 178.2 | -75.7 | -58.5 | -74.8 | 0 | 0 | 111.9 | L114 T115 R141 I165 | L114-M119 HydrophobicContact CB-CG 4.02Å; L114-M119 HydrophobicContact CB-SD 3.31Å; L114-M119 WeakPolarHBondContact CB-SD 3.19Å; L114-M119 HydrophobicContact CD1-SD 3.65Å; L114-M119 HydrophobicContact CG-SD 4.12Å; T115-M119 WeakPolarHBondContact O-CG 3.38Å; T115-M119 PolarHBondContact O-N 3.27Å; M119-R141 HydrophobicContact CB-CG 4.48Å; M119-R141 WeakPolarHBondContact O-CD 3.03Å; M119-R141 PolarHBondContact O-NE 2.77Å; M119-R141 VanDerWaalsContact O-NE 3.1Å; M119-R141 PolarHBondContact O-NH1 2.96Å; M119-I165 HydrophobicContact CE-CB 3.43Å; M119-I165 VanDerWaalsContact CE-CB 3.43Å; M119-I165 HydrophobicContact CE-CG2 3.75Å; M119-I165 WeakPolarHBondContact CE-O 3.16Å |
| 120 | P | 72.2 | Confident | 81.7 | Confident | 94 Ų | 94 | 82 Ų | 82 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -67.1 | 156.6 | 172 | 28.3 | -33 | 0 | 0 | 0 | 111.6 | ||
| 121 | G | 72.2 | Confident | 81.9 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 32% | 0.32 | 45% | 0.451 | S | S | . | . | S | Bend | trans | 117.8 | 160.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112 | R141 | G121-R141 PolarHBondContact O-NE 2.97Å; G121-R141 PolarHBondContact O-NH2 3.36Å |
| 122 | G | 70 | Confident | 81.9 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 43% | 0.433 | 45% | 0.449 | S | S | . | . | trans | -72.2 | 152.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R124 | G122-R124 PolarHBondContact O-N 3.01Š| ||
| 123 | G | 69.8 | Low | 82.1 | Confident | 64 Ų | 64 | 78 Ų | 78 | 66% | 0.66 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -75.3 | 1.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 124 | R | 76.1 | Confident | 82.1 | Confident | 213 Ų | 213 | 83.8 Ų | 83.8 | 80% | 0.804 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -69.4 | 137.4 | -179.3 | -174 | 178.8 | 174.6 | -175.9 | 0.4 | 110.8 | G122 | G122-R124 PolarHBondContact O-N 3.01Š|
| 125 | K | 85.9 | Confident | 82.2 | Confident | 70 Ų | 70 | 83.4 Ų | 83.4 | 30% | 0.304 | 50% | 0.501 | S | S | . | . | trans | -60.9 | 134.2 | 172.7 | -165.4 | -179.9 | -179.2 | -179.4 | 0 | 110.7 | W127 Q129 H137 | K125-W127 VanDerWaalsContact C-N 3.26Å; K125-W127 WeakPolarHBondContact CD-O 3.22Å; K125-W127 WeakPolarHBondContact CE-O 3.34Å; K125-W127 VanDerWaalsContact CG-O 3.31Å; K125-W127 WeakPolarHBondContact CG-O 3.19Å; K125-W127 PolarHBondContact O-N 3.29Å; K125-Q129 VanDerWaalsContact NZ-CA 3.28Å; K125-H137 WeakPolarHBondContact CE-O 3.43Å; K125-H137 WeakPolarHBondContact CG-O 3.47Å | ||
| 126 | P | 81.7 | Confident | 82.2 | Confident | 42 Ų | 42 | 89.8 Ų | 89.8 | 27% | 0.273 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -58.7 | -36 | -178.4 | -23 | 31.1 | 0 | 0 | 0 | 113.7 | H137 I140 W145 | P126-H137 HydrophobicContact CG-CB 4.08Å; P126-I140 HydrophobicContact CB-CG2 4.18Å; P126-I140 HydrophobicContact CG-CG2 3.64Å; P126-W145 HydrophobicContact CG-CZ2 4.38Å |
| 127 | W | 86.1 | Confident | 82.4 | Confident | 54 Ų | 54 | 85.5 Ų | 85.5 | 21% | 0.205 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -160.4 | 165.8 | -179.4 | 52.9 | 80.6 | 0 | 0 | 0 | 112.9 | K125 L132 K134 A135 H137 W145 | K125-W127 VanDerWaalsContact C-N 3.26Å; K125-W127 WeakPolarHBondContact CD-O 3.22Å; K125-W127 WeakPolarHBondContact CE-O 3.34Å; K125-W127 VanDerWaalsContact CG-O 3.31Å; K125-W127 WeakPolarHBondContact CG-O 3.19Å; K125-W127 PolarHBondContact O-N 3.29Å; W127-L132 HydrophobicContact CB-CD1 3.5Å; W127-L132 HydrophobicContact CG-CD1 3.98Å; W127-K134 HydrophobicContact CD2-CD 4.24Å; W127-K134 HydrophobicContact CE3-CD 4.38Å; W127-K134 HydrophobicContact CZ2-CB 3.93Å; W127-K134 HydrophobicContact CZ2-CD 4.35Å; W127-A135 VanDerWaalsContact CE2-O 3.28Å; W127-A135 WeakPolarHBondContact CZ2-O 3.43Å; W127-A135 PolarHBondContact NE1-O 3.45Å; W127-H137 AromaticContact CH2-CD2 3.63Å; W127-H137 AromaticContact CZ2-CD2 3.43Å; W127-H137 VanDerWaalsContact CZ2-CD2 3.43Å; W127-H137 WeakPolarHBondContact CZ2-CD2 3.48Å; W127-W145 AromaticContact CH2-CH2 3.87Å; W127-W145 HydrophobicContact CH2-CH2 3.87Å; W127-W145 HydrophobicContact CH2-CZ2 4.22Å; W127-W145 HydrophobicContact CZ3-CH2 4.15Å |
| 128 | P | 87.7 | Confident | 82.4 | Confident | 89 Ų | 89 | 85.4 Ų | 85.4 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | trans | -55.3 | 158.8 | 177.6 | -27.1 | 35.8 | 0 | 0 | 0 | 114.5 | K130 | P128-K130 VanDerWaalsContact C-N 3.27Å; P128-K130 PolarHBondContact O-N 3.01Å | ||
| 129 | Q | 87.5 | Confident | 82.3 | Confident | 98 Ų | 98 | 81.9 Ų | 81.9 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -67 | -25.5 | -175.9 | -173.6 | 64.6 | -1.4 | 0 | 0 | 114 | K125 | K125-Q129 VanDerWaalsContact NZ-CA 3.28Š|
| 130 | K | 89.6 | Confident | 82.2 | Confident | 164 Ų | 164 | 83.1 Ų | 83.1 | 71% | 0.713 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -146.4 | 166.6 | -174 | -58.5 | -177.1 | -177.1 | 178.7 | 0 | 109.4 | P128 | P128-K130 VanDerWaalsContact C-N 3.27Å; P128-K130 PolarHBondContact O-N 3.01Å |
| 131 | G | 90.1 | Very high | 82.6 | Confident | 84 Ų | 84 | 81.1 Ų | 81.1 | 87% | 0.866 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 97 | -22.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 132 | L | 86.6 | Confident | 83 | Confident | 93 Ų | 93 | 80.5 Ų | 80.5 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -99.9 | -5.9 | -175.7 | -72.5 | 170.4 | 0 | 0 | 0 | 115.6 | W127 K134 | W127-L132 HydrophobicContact CB-CD1 3.5Å; W127-L132 HydrophobicContact CG-CD1 3.98Å; L132-K134 HydrophobicContact CB-CB 4.49Å; L132-K134 HydrophobicContact CB-CG 4.33Å; L132-K134 PolarHBondContact O-N 3.33Å |
| 133 | G | 87.7 | Confident | 83.5 | Confident | 88 Ų | 88 | 81.3 Ų | 81.3 | 91% | 0.907 | 47% | 0.466 | S | S | * | . | trans | 63.8 | 0.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 134 | K | 84.6 | Confident | 84.2 | Confident | 133 Ų | 133 | 83.8 Ų | 83.8 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 156.8 | 179 | -66.2 | -176 | 178.5 | -177.3 | 0 | 112.2 | W127 L132 | W127-K134 HydrophobicContact CD2-CD 4.24Å; W127-K134 HydrophobicContact CE3-CD 4.38Å; W127-K134 HydrophobicContact CZ2-CB 3.93Å; W127-K134 HydrophobicContact CZ2-CD 4.35Å; L132-K134 HydrophobicContact CB-CB 4.49Å; L132-K134 HydrophobicContact CB-CG 4.33Å; L132-K134 PolarHBondContact O-N 3.33Å |
| 135 | A | 84.2 | Confident | 84.2 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 54% | 0.537 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 150.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W127 | W127-A135 VanDerWaalsContact CE2-O 3.28Å; W127-A135 WeakPolarHBondContact CZ2-O 3.43Å; W127-A135 PolarHBondContact NE1-O 3.45Å |
| 136 | R | 85.8 | Confident | 83.1 | Confident | 170 Ų | 170 | 81.7 Ų | 81.7 | 64% | 0.642 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 121.6 | -179.6 | -68.6 | 177.9 | 175.6 | 145.7 | 5.9 | 110.6 | ||
| 137 | H | 86.1 | Confident | 81.8 | Confident | 39 Ų | 39 | 87.6 Ų | 87.6 | 18% | 0.181 | 48% | 0.48 | C | S | . | . | trans | -130.3 | 136.9 | 172.4 | -66.5 | -51.1 | 0 | 0 | 0 | 111.6 | K125 P126 W127 W145 | K125-H137 WeakPolarHBondContact CE-O 3.43Å; K125-H137 WeakPolarHBondContact CG-O 3.47Å; P126-H137 HydrophobicContact CG-CB 4.08Å; W127-H137 AromaticContact CH2-CD2 3.63Å; W127-H137 AromaticContact CZ2-CD2 3.43Å; W127-H137 VanDerWaalsContact CZ2-CD2 3.43Å; W127-H137 WeakPolarHBondContact CZ2-CD2 3.48Å; H137-W145 HydrophobicContact CB-CZ2 4.34Å; H137-W145 AromaticContact CD2-CZ2 3.5Å; H137-W145 AromaticContact CG-CZ2 3.93Å | ||
| 138 | G | 83.7 | Confident | 80.3 | Confident | 56 Ų | 56 | 85.8 Ų | 85.8 | 58% | 0.577 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -86.4 | -29.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 139 | S | 79.9 | Confident | 78.4 | Confident | 10 Ų | 10 | 92 Ų | 92 | 7% | 0.07 | 49% | 0.49 | C | S | . | . | trans | -155.9 | 147.9 | -177.4 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | R141 S142 W145 | S139-R141 PolarHBondContact O-N 3.42Å; S139-R141 PolarHBondContact OG-N 2.85Å; S139-R141 VanDerWaalsContact OG-N 3.07Å; S139-S142 PolarHBondContact O-N 3.34Å; S139-W145 PolarHBondContact O-NE1 3.03Å; S139-W145 VanDerWaalsContact O-NE1 3.14Å | ||
| 140 | I | 78.1 | Confident | 76.6 | Confident | 46 Ų | 46 | 94.9 Ų | 94.9 | 24% | 0.236 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.7 | 168.9 | 61.2 | -170.5 | 0 | 0 | 0 | 112.8 | P126 S142 C164 | P126-I140 HydrophobicContact CB-CG2 4.18Å; P126-I140 HydrophobicContact CG-CG2 3.64Å; I140-S142 PolarHBondContact O-N 2.9Å; I140-C164 HydrophobicContact CB-CB 4.21Å; I140-C164 HydrophobicContact CD1-CB 3.7Å; I140-C164 WeakPolarHBondContact CD1-SG 3.15Å; I140-C164 HydrophobicContact CG1-CB 3.84Å |
| 141 | R | 81.3 | Confident | 74.7 | Confident | 52 Ų | 52 | 88.5 Ų | 88.5 | 20% | 0.196 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 6.2 | 178.8 | -53 | -177 | -168.4 | 172 | -6.3 | 113.2 | R116 G117 M119 G121 S139 G167 | R116-R141 HydrophobicContact CB-CB 4.27Å; R116-R141 WeakPolarHBondContact CB-O 3.33Å; R116-R141 WeakPolarHBondContact O-CD 3.44Å; R116-R141 PolarHBondContact O-NH1 2.66Å; G117-R141 PolarHBondContact O-NH1 3.04Å; G117-R141 VanDerWaalsContact O-NH1 3.11Å; M119-R141 HydrophobicContact CB-CG 4.48Å; M119-R141 WeakPolarHBondContact O-CD 3.03Å; M119-R141 PolarHBondContact O-NE 2.77Å; M119-R141 VanDerWaalsContact O-NE 3.1Å; M119-R141 PolarHBondContact O-NH1 2.96Å; G121-R141 PolarHBondContact O-NE 2.97Å; G121-R141 PolarHBondContact O-NH2 3.36Å; S139-R141 PolarHBondContact O-N 3.42Å; S139-R141 PolarHBondContact OG-N 2.85Å; S139-R141 VanDerWaalsContact OG-N 3.07Å; R141-G167 PolarHBondContact O-N 3.48Å |
| 142 | S | 81.6 | Confident | 72.7 | Confident | 18 Ų | 18 | 91.3 Ų | 91.3 | 13% | 0.126 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -62.8 | 140.7 | 179.5 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | S139 I140 I144 W145 G166 | S139-S142 PolarHBondContact O-N 3.34Å; I140-S142 PolarHBondContact O-N 2.9Å; S142-I144 PolarHBondContact O-N 3.12Å; S142-I144 PolarHBondContact OG-N 3.11Å; S142-W145 VanDerWaalsContact O-CD1 3.31Å; S142-W145 PolarHBondContact O-N 3.17Å; S142-G166 WeakPolarHBondContact O-CA 3.46Å |
| 143 | P | 80.5 | Confident | 71 | Confident | 59 Ų | 59 | 97.9 Ų | 97.9 | 38% | 0.383 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -20.5 | 175.4 | 18.7 | -31.4 | 0 | 0 | 0 | 114.4 | W145 G167 | P143-W145 PolarHBondContact O-N 3.43Å; P143-G167 WeakPolarHBondContact CA-O 3.34Å; P143-G167 WeakPolarHBondContact CB-O 3.32Å |
| 144 | I | 83 | Confident | 69.3 | Low | 117 Ų | 117 | 99.6 Ų | 99.6 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.3 | 177.2 | -60.9 | 171.2 | 0 | 0 | 0 | 111.3 | S142 I146 | S142-I144 PolarHBondContact O-N 3.12Å; S142-I144 PolarHBondContact OG-N 3.11Å; I144-I146 PolarHBondContact O-N 3.49Å; I144-I146 VanDerWaalsContact O-N 3.12Å |
| 145 | W | 77 | Confident | 67.9 | Low | 83 Ų | 83 | 99.6 Ų | 99.6 | 31% | 0.314 | 48% | 0.479 | S | S | . | . | trans | -79.4 | 96 | 178 | -61.1 | 93.2 | 0 | 0 | 0 | 110.3 | P126 W127 H137 S139 S142 P143 R147 G166 | P126-W145 HydrophobicContact CG-CZ2 4.38Å; W127-W145 AromaticContact CH2-CH2 3.87Å; W127-W145 HydrophobicContact CH2-CH2 3.87Å; W127-W145 HydrophobicContact CH2-CZ2 4.22Å; W127-W145 HydrophobicContact CZ3-CH2 4.15Å; H137-W145 HydrophobicContact CB-CZ2 4.34Å; H137-W145 AromaticContact CD2-CZ2 3.5Å; H137-W145 AromaticContact CG-CZ2 3.93Å; S139-W145 PolarHBondContact O-NE1 3.03Å; S139-W145 VanDerWaalsContact O-NE1 3.14Å; S142-W145 VanDerWaalsContact O-CD1 3.31Å; S142-W145 PolarHBondContact O-N 3.17Å; P143-W145 PolarHBondContact O-N 3.43Å; W145-R147 PolarHBondContact O-N 3.47Å; W145-G166 PolarHBondContact O-N 3.13Å | ||
| 146 | I | 62.4 | Low | 66.3 | Low | 155 Ų | 155 | 102.6 Ų | 102.6 | 80% | 0.795 | 49% | 0.485 | S | S | * | . | trans | -69.3 | -1.5 | -172 | -63.5 | 167.2 | 0 | 0 | 0 | 114.2 | I144 G148 | I144-I146 PolarHBondContact O-N 3.49Å; I144-I146 VanDerWaalsContact O-N 3.12Å; I146-G148 PolarHBondContact O-N 2.98Å | ||
| 147 | R | 54.9 | Low | 64.5 | Low | 166 Ų | 166 | 99.9 Ų | 99.9 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -8.2 | -160.7 | -150.3 | 71.9 | -178.4 | 170.6 | 2.7 | 116.7 | W145 A151 I163 | W145-R147 PolarHBondContact O-N 3.47Å; R147-A151 WeakPolarHBondContact O-CB 3.21Å; R147-I163 HydrophobicContact CB-CG2 4.36Å; R147-I163 HydrophobicContact CG-CG2 3.83Å |
| 148 | G | 53.5 | Low | 62.7 | Low | 17 Ų | 17 | 107 Ų | 107 | 18% | 0.175 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69.3 | -44.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | I146 E152 | I146-G148 PolarHBondContact O-N 2.98Å; G148-E152 PolarHBondContact O-N 3.03Å |
| 149 | R | 47.4 | Very low | 61.3 | Low | 219 Ų | 219 | 113.4 Ų | 113.4 | 83% | 0.826 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -80.6 | -35.3 | -167.7 | -110.9 | -167.9 | -64.2 | -123.2 | 2.4 | 115.1 | ||
| 150 | E | 50.6 | Low | 59.8 | Low | 158 Ų | 158 | 118.4 Ų | 118.4 | 74% | 0.738 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -82.2 | -29.9 | -177.6 | -164.9 | 168.3 | -150.3 | 0 | 0 | 112.2 | R153 | E150-R153 PolarHBondContact O-N 3.48Å |
| 151 | A | 48.9 | Very low | 58.3 | Low | 31 Ų | 31 | 120.1 Ų | 120.1 | 26% | 0.256 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.3 | -34.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R147 R153 K154 | R147-A151 WeakPolarHBondContact O-CB 3.21Å; A151-R153 PolarHBondContact O-N 3.35Å; A151-K154 CarbonylContact O-C 3.49Å; A151-K154 WeakPolarHBondContact O-CA 3.41Å; A151-K154 PolarHBondContact O-N 3.46Å |
| 152 | E | 48.2 | Very low | 56.6 | Low | 142 Ų | 142 | 125.7 Ų | 125.7 | 66% | 0.664 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.7 | -31.7 | 176.2 | -157.2 | 172.8 | -144.7 | 0 | 0 | 112.1 | G148 K154 | G148-E152 PolarHBondContact O-N 3.03Å; E152-K154 PolarHBondContact O-N 2.81Å |
| 153 | R | 51.3 | Low | 55.1 | Low | 231 Ų | 231 | 127.8 Ų | 127.8 | 87% | 0.872 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -20.6 | 169.4 | -96.8 | -174.5 | 171.5 | -149.9 | -3.9 | 113.6 | E150 A151 | E150-R153 PolarHBondContact O-N 3.48Å; A151-R153 PolarHBondContact O-N 3.35Å |
| 154 | K | 51.6 | Low | 53.8 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | trans | -107.9 | 74.4 | -171.8 | -136.4 | 172.2 | -170.4 | 178.9 | 0 | 108.8 | A151 E152 I156 W157 | A151-K154 CarbonylContact O-C 3.49Å; A151-K154 WeakPolarHBondContact O-CA 3.41Å; A151-K154 PolarHBondContact O-N 3.46Å; E152-K154 PolarHBondContact O-N 2.81Å; K154-I156 PolarHBondContact O-N 2.89Å; K154-W157 PolarHBondContact O-N 2.84Å | ||
| 155 | L | 54.8 | Low | 52.9 | Low | 134 Ų | 134 | 124.4 Ų | 124.4 | 70% | 0.702 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.9 | -37.4 | -178.9 | -92.7 | 147.2 | 0 | 0 | 0 | 114.2 | W157 R158 | L155-W157 PolarHBondContact O-N 2.88Å; L155-W157 VanDerWaalsContact O-N 3.12Å; L155-R158 WeakPolarHBondContact O-CB 3.42Å; L155-R158 PolarHBondContact O-N 3.02Å; L155-R158 VanDerWaalsContact O-N 3.14Å |
| 156 | I | 52.2 | Low | 52.6 | Low | 128 Ų | 128 | 120.8 Ų | 120.8 | 66% | 0.656 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -30.9 | 179.7 | -63.6 | 169.3 | 0 | 0 | 0 | 113.1 | K154 | K154-I156 PolarHBondContact O-N 2.89Š|
| 157 | W | 46.8 | Very low | 53.4 | Low | 112 Ų | 112 | 113.5 Ų | 113.5 | 42% | 0.424 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -90.2 | -3.9 | -174.5 | -64.7 | 90.6 | 0 | 0 | 0 | 114 | K154 L155 L161 | K154-W157 PolarHBondContact O-N 2.84Å; L155-W157 PolarHBondContact O-N 2.88Å; L155-W157 VanDerWaalsContact O-N 3.12Å; W157-L161 HydrophobicContact CE3-CD1 3.9Å; W157-L161 HydrophobicContact CZ3-CD1 3.97Å |
| 158 | R | 49.6 | Very low | 54.8 | Low | 189 Ų | 189 | 110 Ų | 110 | 71% | 0.713 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.7 | -31.3 | -173.1 | -155.4 | 171.3 | 170.2 | 159.9 | -2.7 | 112.7 | L155 | L155-R158 WeakPolarHBondContact O-CB 3.42Å; L155-R158 PolarHBondContact O-N 3.02Å; L155-R158 VanDerWaalsContact O-N 3.14Å |
| 159 | E | 52.8 | Low | 56.2 | Low | 191 Ų | 191 | 112.7 Ų | 112.7 | 89% | 0.893 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -89.8 | -36.8 | 176.9 | -73.5 | 178.6 | 164.2 | 0 | 0 | 113 | L161 | E159-L161 PolarHBondContact O-N 3.35Å |
| 160 | I | 48.5 | Very low | 58 | Low | 114 Ų | 114 | 110.6 Ų | 110.6 | 59% | 0.585 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77.3 | -25.5 | -165.7 | -60.6 | 177.1 | 0 | 0 | 0 | 112.2 | ||
| 161 | L | 46.4 | Very low | 59.6 | Low | 83 Ų | 83 | 103.5 Ų | 103.5 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | trans | -140.7 | 121.3 | -174.2 | -75.7 | 169.5 | 0 | 0 | 0 | 112.4 | W157 E159 I163 | W157-L161 HydrophobicContact CE3-CD1 3.9Å; W157-L161 HydrophobicContact CZ3-CD1 3.97Å; E159-L161 PolarHBondContact O-N 3.35Å; L161-I163 HydrophobicContact CB-CB 4.2Å; L161-I163 HydrophobicContact CB-CD1 3.47Å; L161-I163 VanDerWaalsContact CB-CD1 3.47Å; L161-I163 HydrophobicContact CB-CG1 3.54Å; L161-I163 HydrophobicContact CD1-CD1 3.28Å; L161-I163 HydrophobicContact CD1-CG1 3.8Å; L161-I163 HydrophobicContact CG-CD1 3.95Å; L161-I163 HydrophobicContact CG-CG1 4.15Å; L161-I163 PolarHBondContact O-N 3.45Å | ||
| 162 | N | 47.3 | Very low | 61.4 | Low | 169 Ų | 169 | 104.3 Ų | 104.3 | 90% | 0.904 | 50% | 0.504 | S | S | * | . | trans | -61.6 | 48.8 | 152.4 | -70.5 | -38.6 | 0 | 0 | 0 | 111 | C164 | N162-C164 PolarHBondContact O-N 2.71Å; N162-C164 VanDerWaalsContact O-N 3.15Å | ||
| 163 | I | 50.4 | Low | 63.1 | Low | 62 Ų | 62 | 102.5 Ų | 102.5 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | trans | -64.7 | 117.6 | 178.6 | -87.5 | 152.3 | 0 | 0 | 0 | 107.3 | R147 L161 I165 | R147-I163 HydrophobicContact CB-CG2 4.36Å; R147-I163 HydrophobicContact CG-CG2 3.83Å; L161-I163 HydrophobicContact CB-CB 4.2Å; L161-I163 HydrophobicContact CB-CD1 3.47Å; L161-I163 VanDerWaalsContact CB-CD1 3.47Å; L161-I163 HydrophobicContact CB-CG1 3.54Å; L161-I163 HydrophobicContact CD1-CD1 3.28Å; L161-I163 HydrophobicContact CD1-CG1 3.8Å; L161-I163 HydrophobicContact CG-CD1 3.95Å; L161-I163 HydrophobicContact CG-CG1 4.15Å; L161-I163 PolarHBondContact O-N 3.45Å; I163-I165 PolarHBondContact O-N 3.46Å | ||
| 164 | C | 51.2 | Low | 64.5 | Low | 38 Ų | 38 | 92 Ų | 92 | 26% | 0.257 | 46% | 0.455 | S | S | . | . | trans | -67.8 | 115.9 | 179.3 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | I140 N162 | I140-C164 HydrophobicContact CB-CB 4.21Å; I140-C164 HydrophobicContact CD1-CB 3.7Å; I140-C164 WeakPolarHBondContact CD1-SG 3.15Å; I140-C164 HydrophobicContact CG1-CB 3.84Å; N162-C164 PolarHBondContact O-N 2.71Å; N162-C164 VanDerWaalsContact O-N 3.15Å | ||
| 165 | I | 64.5 | Low | 66.1 | Low | 67 Ų | 67 | 90.6 Ų | 90.6 | 34% | 0.344 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 134.6 | 174.4 | -62.1 | 166 | 0 | 0 | 0 | 107.7 | M119 I163 G167 | M119-I165 HydrophobicContact CE-CB 3.43Å; M119-I165 VanDerWaalsContact CE-CB 3.43Å; M119-I165 HydrophobicContact CE-CG2 3.75Å; M119-I165 WeakPolarHBondContact CE-O 3.16Å; I163-I165 PolarHBondContact O-N 3.46Å; I165-G167 PolarHBondContact O-N 3.11Å |
| 166 | G | 71.9 | Confident | 67.6 | Low | 7 Ų | 7 | 90.8 Ų | 90.8 | 7% | 0.072 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 135.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | S142 W145 | S142-G166 WeakPolarHBondContact O-CA 3.46Å; W145-G166 PolarHBondContact O-N 3.13Å |
| 167 | G | 79.4 | Confident | 69.3 | Low | 1 Ų | 1 | 88.7 Ų | 88.7 | 1% | 0.01 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 152.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R141 P143 I165 | R141-G167 PolarHBondContact O-N 3.48Å; P143-G167 WeakPolarHBondContact CA-O 3.34Å; P143-G167 WeakPolarHBondContact CB-O 3.32Å; I165-G167 PolarHBondContact O-N 3.11Å |
| 168 | I | 82.6 | Confident | 71.4 | Confident | 94 Ų | 94 | 88.6 Ų | 88.6 | 48% | 0.482 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 127.8 | -177.4 | -62.4 | 170.7 | 0 | 0 | 0 | 109.9 | A113 L114 | A113-I168 HydrophobicContact CB-CB 4.12Å; A113-I168 HydrophobicContact CB-CD1 3.94Å; A113-I168 HydrophobicContact CB-CG2 4.24Å; L114-I168 PolarHBondContact O-N 2.98Å |
| 169 | S | 84.4 | Confident | 73.4 | Confident | 72 Ų | 72 | 84.8 Ų | 84.8 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 137.5 | 173.5 | -166.6 | 0 | 0 | 0 | 0 | 110.5 | G171 | S169-G171 PolarHBondContact O-N 3.11Š|
| 170 | H | 83.7 | Confident | 75.3 | Confident | 175 Ų | 175 | 80 Ų | 80 | 81% | 0.81 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 24.9 | -177 | -54.7 | 103.8 | 0 | 0 | 0 | 115.6 | ||
| 171 | G | 84.8 | Confident | 77.3 | Confident | 9 Ų | 9 | 81 Ų | 81 | 9% | 0.093 | 41% | 0.41 | C | S | . | . | trans | -67.7 | 165.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S169 R173 | S169-G171 PolarHBondContact O-N 3.11Å; G171-R173 PolarHBondContact O-N 2.95Å | ||
| 172 | P | 86.5 | Confident | 79.5 | Confident | 49 Ų | 49 | 77.5 Ų | 77.5 | 32% | 0.318 | 39% | 0.391 | S | S | . | . | trans | -59.6 | 136.8 | 172.7 | 27.8 | -36.9 | 0 | 0 | 0 | 110.8 | V111 A113 | V111-P172 HydrophobicContact CB-CB 4.4Å; V111-P172 HydrophobicContact CB-CG 4.24Å; V111-P172 HydrophobicContact CG1-CB 4.24Å; V111-P172 HydrophobicContact CG1-CG 3.54Å; V111-P172 WeakPolarHBondContact O-CB 3.3Å; A113-P172 HydrophobicContact CB-CG 3.99Å; A113-P172 PolarHBondContact N-O 3.07Å | ||
| 173 | R | 84.5 | Confident | 81.6 | Confident | 104 Ų | 104 | 73 Ų | 73 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -103 | -4.4 | -164.4 | -81.4 | -94.6 | 142.8 | 64.6 | 7.7 | 115.2 | T115 G171 | T115-R173 VanDerWaalsContact OG1-CZ 3.3Å; T115-R173 PolarHBondContact OG1-NE 3.2Å; T115-R173 PolarHBondContact OG1-NH2 3.21Å; G171-R173 PolarHBondContact O-N 2.95Å |
| 174 | G | 80.7 | Confident | 83.3 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 154 | -170.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | R176 | G174-R176 PolarHBondContact O-N 3.03Å; G174-R176 VanDerWaalsContact O-N 3.12Å |
| 175 | P | 84.1 | Confident | 85.2 | Confident | 94 Ų | 94 | 73.8 Ų | 73.8 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | trans | -57.9 | 118.1 | 179.1 | 24.2 | -32.1 | 0 | 0 | 0 | 110.1 | S109 F110 | S109-P175 CarbonylContact O-C 3.4Å; S109-P175 WeakPolarHBondContact O-CA 3.48Å; F110-P175 HydrophobicContact CD1-CB 3.94Å; F110-P175 HydrophobicContact CE1-CB 4.14Å | ||
| 176 | R | 87.9 | Confident | 86.6 | Confident | 137 Ų | 137 | 73 Ų | 73 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.3 | 171.4 | -67.8 | -163 | 179.2 | 106.2 | -6.5 | 109.5 | S109 G174 | S109-R176 PolarHBondContact N-O 2.65Å; S109-R176 PolarHBondContact O-N 2.88Å; G174-R176 PolarHBondContact O-N 3.03Å; G174-R176 VanDerWaalsContact O-N 3.12Å |
| 177 | T | 88.2 | Confident | 87.6 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 144.2 | 167.4 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | V108 F179 | V108-T177 HydrophobicContact CG2-CG2 4.44Å; T177-F179 HydrophobicContact CG2-CD1 4.03Å; T177-F179 HydrophobicContact CG2-CE1 4.14Å; T177-F179 WeakPolarHBondContact OG1-CE1 3.44Å |
| 178 | R | 89.9 | Confident | 88.3 | Confident | 111 Ų | 111 | 77 Ų | 77 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | trans | -104 | 3.6 | 173 | -64.5 | -162.6 | -62.1 | -80.9 | 18.6 | 112.9 | N104 S107 | N104-R178 HydrophobicContact CB-CB 4.28Å; N104-R178 CarbonylContact O-C 3.57Å; S107-R178 PolarHBondContact O-N 3.45Å; S107-R178 PolarHBondContact OG-NH1 2.97Å; S107-R178 PolarHBondContact OG-NH2 3.33Å | ||
| 179 | F | 92 | Very high | 89 | Confident | 109 Ų | 109 | 75.7 Ų | 75.7 | 48% | 0.478 | 38% | 0.384 | S | S | . | . | trans | -62.8 | 144.6 | 179.7 | 83.8 | -101.8 | 0 | 0 | 0 | 110.3 | N104 Y105 T177 | N104-F179 PolarHBondContact O-N 3.39Å; Y105-F179 HydrophobicContact CD2-CB 3.88Å; Y105-F179 HydrophobicContact CE2-CB 4.38Å; Y105-F179 HydrophobicContact CG-CB 4.33Å; T177-F179 HydrophobicContact CG2-CD1 4.03Å; T177-F179 HydrophobicContact CG2-CE1 4.14Å; T177-F179 WeakPolarHBondContact OG1-CE1 3.44Å | ||
| 180 | Y | 93 | Very high | 89.6 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | trans | -141.8 | 161.2 | 166.5 | 59.8 | -87.9 | 0 | 0 | 0 | 107.4 | W101 N104 L182 | W101-Y180 WeakPolarHBondContact CA-OH 3.25Å; W101-Y180 HydrophobicContact CB-CE2 4.18Å; W101-Y180 AromaticContact CD1-CE2 3.95Å; W101-Y180 HydrophobicContact CG-CE2 4.41Å; W101-Y180 PolarHBondContact NE1-O 3.14Å; N104-Y180 HydrophobicContact CB-CE1 4.14Å; Y180-L182 HydrophobicContact CE2-CD1 4.23Å | ||
| 181 | M | 90.5 | Very high | 90.2 | Very high | 133 Ų | 133 | 65 Ų | 65 | 66% | 0.655 | 33% | 0.327 | S | S | * | . | trans | -91.9 | 114.5 | 177.9 | -65.8 | -59.4 | -76.7 | 0 | 0 | 109.5 | ||||
| 182 | L | 91.8 | Very high | 90.7 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | trans | -74.6 | 138.3 | 171 | -167.3 | 67 | 0 | 0 | 0 | 109.2 | N98 W101 Y180 I186 R187 | N98-L182 WeakPolarHBondContact OD1-CD2 3.33Å; W101-L182 HydrophobicContact CB-CB 4.26Å; W101-L182 HydrophobicContact CB-CD2 4.08Å; W101-L182 HydrophobicContact CD2-CB 3.84Å; W101-L182 HydrophobicContact CD2-CD2 4.31Å; W101-L182 HydrophobicContact CE3-CB 4.42Å; W101-L182 HydrophobicContact CE3-CD2 4.25Å; W101-L182 HydrophobicContact CG-CB 3.7Å; W101-L182 HydrophobicContact CG-CD2 4.23Å; Y180-L182 HydrophobicContact CE2-CD1 4.23Å; L182-I186 HydrophobicContact CD1-CB 4.48Å; L182-I186 HydrophobicContact CD1-CD1 4.47Å; L182-I186 HydrophobicContact CD1-CG2 4.14Å; L182-I186 HydrophobicContact CD2-CB 4.35Å; L182-I186 HydrophobicContact CD2-CG2 3.89Å; L182-I186 HydrophobicContact CG-CB 4.17Å; L182-I186 HydrophobicContact CG-CG2 4.09Å; L182-R187 HydrophobicContact CB-CG 4Å; L182-R187 HydrophobicContact CD2-CG 3.8Å; L182-R187 HydrophobicContact CG-CG 4.1Å; L182-R187 PolarHBondContact O-NE 3.11Å; L182-R187 PolarHBondContact O-NH2 3.1Å | ||
| 183 | P | 90.8 | Very high | 91.2 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 49% | 0.494 | 31% | 0.309 | S | S | . | . | trans | -55 | 141.6 | 173.6 | -26.9 | 35 | 0 | 0 | 0 | 112.1 | A185 I186 R187 | P183-A185 VanDerWaalsContact C-N 3.34Å; P183-A185 PolarHBondContact O-N 3.16Å; P183-I186 HydrophobicContact CB-CD1 4.19Å; P183-I186 HydrophobicContact CB-CG1 4.23Å; P183-I186 HydrophobicContact CG-CD1 4.01Å; P183-I186 PolarHBondContact O-N 2.91Å; P183-I186 VanDerWaalsContact O-N 3.12Å; P183-R187 PolarHBondContact O-N 3.21Å; P183-R187 VanDerWaalsContact O-N 3.13Å | ||
| 184 | D | 87.8 | Confident | 91.8 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | -173.2 | -161.9 | 32.4 | 0 | 0 | 0 | 112.9 | I186 R187 L188 | D184-I186 VanDerWaalsContact C-N 3.26Å; D184-I186 PolarHBondContact O-N 3.48Å; D184-R187 WeakPolarHBondContact O-CA 3.3Å; D184-R187 WeakPolarHBondContact O-CB 3.32Å; D184-R187 PolarHBondContact O-N 2.84Å; D184-R187 IonicContact OD1-CZ 3.37Å; D184-R187 IonicContact OD1-NH1 3.33Å; D184-R187 PolarHBondContact OD1-NH1 2.83Å; D184-R187 IonicContact OD1-NH2 3.63Å; D184-L188 WeakPolarHBondContact O-CG 3.42Å; D184-L188 PolarHBondContact O-N 3.42Å |
| 185 | A | 89.7 | Confident | 92.6 | Very high | 74 Ų | 74 | 57 Ų | 57 | 61% | 0.612 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -57.6 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P183 Y189 | P183-A185 VanDerWaalsContact C-N 3.34Å; P183-A185 PolarHBondContact O-N 3.16Å; A185-Y189 VanDerWaalsContact O-CB 3.23Å; A185-Y189 WeakPolarHBondContact O-CB 3.35Å; A185-Y189 PolarHBondContact O-N 3.1Å |
| 186 | I | 93.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.2 | -35.4 | 177.6 | -57.5 | 179.4 | 0 | 0 | 0 | 110.2 | I94 N98 L182 P183 D184 G190 | I94-I186 HydrophobicContact CG2-CG2 3.85Å; I94-I186 WeakPolarHBondContact CG2-O 3.49Å; N98-I186 PolarHBondContact ND2-O 3.25Å; L182-I186 HydrophobicContact CD1-CB 4.48Å; L182-I186 HydrophobicContact CD1-CD1 4.47Å; L182-I186 HydrophobicContact CD1-CG2 4.14Å; L182-I186 HydrophobicContact CD2-CB 4.35Å; L182-I186 HydrophobicContact CD2-CG2 3.89Å; L182-I186 HydrophobicContact CG-CB 4.17Å; L182-I186 HydrophobicContact CG-CG2 4.09Å; P183-I186 HydrophobicContact CB-CD1 4.19Å; P183-I186 HydrophobicContact CB-CG1 4.23Å; P183-I186 HydrophobicContact CG-CD1 4.01Å; P183-I186 PolarHBondContact O-N 2.91Å; P183-I186 VanDerWaalsContact O-N 3.12Å; D184-I186 VanDerWaalsContact C-N 3.26Å; D184-I186 PolarHBondContact O-N 3.48Å; I186-G190 PolarHBondContact O-N 3.28Å |
| 187 | R | 94.5 | Very high | 93.6 | Very high | 67 Ų | 67 | 48 Ų | 48 | 25% | 0.253 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.6 | -50.3 | 174.9 | -71.8 | -175.1 | -89.1 | 110.8 | -1.4 | 112.2 | N98 W101 L182 P183 D184 G190 L191 | N98-R187 VanDerWaalsContact OD1-CA 3.29Å; N98-R187 WeakPolarHBondContact OD1-CA 3.29Å; W101-R187 HydrophobicContact CE3-CG 4.14Å; W101-R187 HydrophobicContact CH2-CG 4.3Å; W101-R187 VanDerWaalsContact CZ3-CD 3.42Å; W101-R187 HydrophobicContact CZ3-CG 3.9Å; L182-R187 HydrophobicContact CB-CG 4Å; L182-R187 HydrophobicContact CD2-CG 3.8Å; L182-R187 HydrophobicContact CG-CG 4.1Å; L182-R187 PolarHBondContact O-NE 3.11Å; L182-R187 PolarHBondContact O-NH2 3.1Å; P183-R187 PolarHBondContact O-N 3.21Å; P183-R187 VanDerWaalsContact O-N 3.13Å; D184-R187 WeakPolarHBondContact O-CA 3.3Å; D184-R187 WeakPolarHBondContact O-CB 3.32Å; D184-R187 PolarHBondContact O-N 2.84Å; D184-R187 IonicContact OD1-CZ 3.37Å; D184-R187 IonicContact OD1-NH1 3.33Å; D184-R187 PolarHBondContact OD1-NH1 2.83Å; D184-R187 IonicContact OD1-NH2 3.63Å; R187-G190 PolarHBondContact O-N 3.16Å; R187-L191 PolarHBondContact O-N 3.31Å |
| 188 | L | 94.2 | Very high | 94 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -46.9 | 177.6 | -67.1 | 167.2 | 0 | 0 | 0 | 111.5 | D184 G190 L191 C192 Q293 | D184-L188 WeakPolarHBondContact O-CG 3.42Å; D184-L188 PolarHBondContact O-N 3.42Å; L188-G190 VanDerWaalsContact C-N 3.26Å; L188-G190 PolarHBondContact O-N 3.01Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 3.14Å; L188-C192 PolarHBondContact O-N 3.12Å; L188-C192 PolarHBondContact O-SG 3.17Å; L188-C192 VanDerWaalsContact O-SG 3.37Å; L188-Q293 HydrophobicContact CD1-CB 3.54Å; L188-Q293 HydrophobicContact CD2-CB 3.74Å; L188-Q293 HydrophobicContact CD2-CG 4.16Å; L188-Q293 HydrophobicContact CG-CB 4.29Å |
| 189 | Y | 95.6 | Very high | 94.3 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 26% | 0.263 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.9 | -35.1 | 177.6 | -165 | -87.9 | 0 | 0 | 0 | 112 | V88 V89 R91 I94 A185 C192 T193 | V88-Y189 HydrophobicContact CG1-CD2 3.94Å; V88-Y189 HydrophobicContact CG1-CE1 4.11Å; V88-Y189 HydrophobicContact CG1-CE2 3.29Å; V88-Y189 VanDerWaalsContact CG1-CZ 3.41Å; V89-Y189 PolarHBondContact O-OH 2.84Å; R91-Y189 HydrophobicContact CB-CE1 4.04Å; R91-Y189 WeakPolarHBondContact CD-OH 3.18Å; R91-Y189 HydrophobicContact CG-CE1 4.01Å; I94-Y189 HydrophobicContact CB-CD1 4.08Å; I94-Y189 HydrophobicContact CD1-CD1 3.23Å; I94-Y189 HydrophobicContact CD1-CE1 3.41Å; I94-Y189 VanDerWaalsContact CD1-CE1 3.41Å; I94-Y189 HydrophobicContact CD1-CG 4.13Å; I94-Y189 HydrophobicContact CG1-CD1 4.22Å; I94-Y189 HydrophobicContact CG2-CD1 3.79Å; A185-Y189 VanDerWaalsContact O-CB 3.23Å; A185-Y189 WeakPolarHBondContact O-CB 3.35Å; A185-Y189 PolarHBondContact O-N 3.1Å; Y189-C192 PolarHBondContact O-N 3.33Å; Y189-T193 HydrophobicContact CD1-CG2 3.61Å; Y189-T193 HydrophobicContact CE1-CG2 3.36Å; Y189-T193 WeakPolarHBondContact O-CB 3.42Å; Y189-T193 VanDerWaalsContact O-CG2 3.27Å; Y189-T193 WeakPolarHBondContact O-CG2 3.34Å; Y189-T193 PolarHBondContact O-N 3.14Å; Y189-T193 PolarHBondContact O-OG1 3.12Å |
| 190 | G | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -42.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L95 N98 I186 R187 L188 T193 A194 C267 | L95-G190 VanDerWaalsContact CD2-O 3.24Å; L95-G190 WeakPolarHBondContact CD2-O 3.5Å; N98-G190 WeakPolarHBondContact ND2-CA 3.38Å; I186-G190 PolarHBondContact O-N 3.28Å; R187-G190 PolarHBondContact O-N 3.16Å; L188-G190 VanDerWaalsContact C-N 3.26Å; L188-G190 PolarHBondContact O-N 3.01Å; G190-T193 WeakPolarHBondContact CA-OG1 3.5Å; G190-T193 PolarHBondContact O-OG1 2.77Å; G190-A194 WeakPolarHBondContact O-CB 3.39Å; G190-A194 PolarHBondContact O-N 3.41Å; G190-C267 PolarHBondContact O-SG 3.09Å |
| 191 | L | 96.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.6 | -47.6 | 176.7 | -171.8 | 66.1 | 0 | 0 | 0 | 111.5 | R187 L188 T193 A194 L195 L265 M270 I290 | R187-L191 PolarHBondContact O-N 3.31Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 3.14Å; L191-T193 PolarHBondContact O-N 3.09Å; L191-A194 PolarHBondContact O-N 3.23Å; L191-L195 HydrophobicContact CG-CD1 4.39Å; L191-L195 WeakPolarHBondContact O-CG 3.3Å; L191-L195 PolarHBondContact O-N 3.28Å; L191-L265 HydrophobicContact CD1-CD2 4.35Å; L191-L265 HydrophobicContact CD1-CG 4.24Å; L191-M270 HydrophobicContact CD1-SD 3.75Å; L191-I290 HydrophobicContact CD2-CD1 3.79Å; L191-I290 HydrophobicContact CD2-CG1 4.02Å; L191-I290 HydrophobicContact CG-CD1 4.3Å |
| 192 | C | 96.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.2 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | V88 L188 Y189 A194 L195 T196 I290 | V88-C192 HydrophobicContact CB-CB 4.21Å; V88-C192 HydrophobicContact CG2-CB 3.67Å; L188-C192 PolarHBondContact O-N 3.12Å; L188-C192 PolarHBondContact O-SG 3.17Å; L188-C192 VanDerWaalsContact O-SG 3.37Å; Y189-C192 PolarHBondContact O-N 3.33Å; C192-A194 VanDerWaalsContact C-N 3.34Å; C192-A194 PolarHBondContact O-N 3.02Å; C192-L195 PolarHBondContact O-N 2.71Å; C192-T196 WeakPolarHBondContact O-CB 3.32Å; C192-T196 PolarHBondContact O-N 2.98Å; C192-T196 PolarHBondContact O-OG1 3.31Å; C192-I290 VanDerWaalsContact SG-CG2 3.6Å |
| 193 | T | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | 175.7 | 48.3 | 0 | 0 | 0 | 0 | 112 | V88 V89 L95 Y189 G190 L191 T196 V197 | V88-T193 HydrophobicContact CG1-CG2 3.88Å; V89-T193 WeakPolarHBondContact O-CG2 3.37Å; L95-T193 WeakPolarHBondContact CD2-OG1 3.4Å; Y189-T193 HydrophobicContact CD1-CG2 3.61Å; Y189-T193 HydrophobicContact CE1-CG2 3.36Å; Y189-T193 WeakPolarHBondContact O-CB 3.42Å; Y189-T193 VanDerWaalsContact O-CG2 3.27Å; Y189-T193 WeakPolarHBondContact O-CG2 3.34Å; Y189-T193 PolarHBondContact O-N 3.14Å; Y189-T193 PolarHBondContact O-OG1 3.12Å; G190-T193 WeakPolarHBondContact CA-OG1 3.5Å; G190-T193 PolarHBondContact O-OG1 2.77Å; L191-T193 PolarHBondContact O-N 3.09Å; T193-T196 PolarHBondContact O-N 3.27Å; T193-V197 WeakPolarHBondContact O-CB 3.24Å; T193-V197 WeakPolarHBondContact O-CG2 3.38Å; T193-V197 PolarHBondContact O-N 2.86Å |
| 194 | A | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L95 G190 L191 C192 V197 K198 M270 | L95-A194 HydrophobicContact CD2-CB 3.73Å; G190-A194 WeakPolarHBondContact O-CB 3.39Å; G190-A194 PolarHBondContact O-N 3.41Å; L191-A194 PolarHBondContact O-N 3.23Å; C192-A194 VanDerWaalsContact C-N 3.34Å; C192-A194 PolarHBondContact O-N 3.02Å; A194-V197 PolarHBondContact O-N 2.73Å; A194-K198 WeakPolarHBondContact O-CG 3.45Å; A194-K198 PolarHBondContact O-N 3.38Å; A194-M270 VanDerWaalsContact C-CE 3.43Å; A194-M270 HydrophobicContact CB-CB 4.49Å; A194-M270 HydrophobicContact CB-CE 3.47Å; A194-M270 VanDerWaalsContact CB-CE 3.47Å; A194-M270 HydrophobicContact CB-SD 3.77Å |
| 195 | L | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.8 | -43.6 | 177.9 | -73 | 170.5 | 0 | 0 | 0 | 111.4 | V85 F86 L191 C192 K198 H199 M270 L276 I290 | V85-L195 HydrophobicContact CG1-CD1 3.69Å; F86-L195 HydrophobicContact CD1-CB 4.07Å; F86-L195 HydrophobicContact CE1-CB 3.95Å; F86-L195 HydrophobicContact CE1-CD2 4.19Å; F86-L195 HydrophobicContact CE1-CG 4.45Å; L191-L195 HydrophobicContact CG-CD1 4.39Å; L191-L195 WeakPolarHBondContact O-CG 3.3Å; L191-L195 PolarHBondContact O-N 3.28Å; C192-L195 PolarHBondContact O-N 2.71Å; L195-K198 PolarHBondContact O-N 3.07Å; L195-H199 WeakPolarHBondContact O-CB 3.35Å; L195-H199 PolarHBondContact O-N 2.87Å; L195-M270 HydrophobicContact CB-CE 4.31Å; L195-M270 HydrophobicContact CD2-CE 3.52Å; L195-M270 HydrophobicContact CD2-SD 4.44Å; L195-M270 HydrophobicContact CG-CE 3.72Å; L195-L276 HydrophobicContact CD2-CD1 4.45Å; L195-I290 HydrophobicContact CD1-CD1 3.77Å |
| 196 | T | 96.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | V85 F86 V88 C192 T193 H199 A200 | V85-T196 PolarHBondContact O-OG1 2.91Å; F86-T196 WeakPolarHBondContact CA-OG1 3.38Å; F86-T196 WeakPolarHBondContact O-CB 3.23Å; F86-T196 WeakPolarHBondContact O-CG2 3.32Å; F86-T196 PolarHBondContact O-OG1 3.42Å; V88-T196 PolarHBondContact N-OG1 3.04Å; V88-T196 VanDerWaalsContact N-OG1 3.11Å; V88-T196 WeakPolarHBondContact O-CG2 3.39Å; C192-T196 WeakPolarHBondContact O-CB 3.32Å; C192-T196 PolarHBondContact O-N 2.98Å; C192-T196 PolarHBondContact O-OG1 3.31Å; T193-T196 PolarHBondContact O-N 3.27Å; T196-H199 PolarHBondContact O-N 2.98Å; T196-A200 VanDerWaalsContact O-CB 3.23Å; T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 3.24Å |
| 197 | V | 96.6 | Very high | 95.8 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -43 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | P90 T193 A194 A200 Q201 | P90-V197 HydrophobicContact CB-CG2 3.61Å; T193-V197 WeakPolarHBondContact O-CB 3.24Å; T193-V197 WeakPolarHBondContact O-CG2 3.38Å; T193-V197 PolarHBondContact O-N 2.86Å; A194-V197 PolarHBondContact O-N 2.73Å; V197-A200 PolarHBondContact O-N 3.44Å; V197-Q201 HydrophobicContact CG1-CG 4.39Å; V197-Q201 WeakPolarHBondContact O-CB 3.34Å; V197-Q201 VanDerWaalsContact O-CG 3.25Å; V197-Q201 WeakPolarHBondContact O-CG 3.35Å; V197-Q201 PolarHBondContact O-N 3.48Å |
| 198 | K | 96.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 30 Ų | 30 | 6% | 0.057 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 177.2 | -73.3 | -69.2 | 176.4 | -168.2 | 0 | 112.7 | A194 L195 Q201 D202 D203 L204 M270 H273 Q274 | A194-K198 WeakPolarHBondContact O-CG 3.45Å; A194-K198 PolarHBondContact O-N 3.38Å; L195-K198 PolarHBondContact O-N 3.07Å; K198-Q201 PolarHBondContact O-N 3.01Å; K198-D202 PolarHBondContact O-N 3.49Å; K198-D203 HydrophobicContact CB-CB 4.41Å; K198-D203 HydrophobicContact CD-CB 3.54Å; K198-D203 IonicContact NZ-OD2 3.33Å; K198-D203 PolarHBondContact NZ-OD2 3.3Å; K198-D203 PolarHBondContact O-N 3.45Å; K198-L204 HydrophobicContact CB-CB 4.26Å; K198-L204 PolarHBondContact O-N 2.94Å; K198-M270 WeakPolarHBondContact CE-O 3.23Å; K198-M270 HydrophobicContact CG-CE 4.32Å; K198-H273 PolarHBondContact NZ-O 3.45Å; K198-Q274 PolarHBondContact NZ-O 3.03Å |
| 199 | H | 96 | Very high | 95.5 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 10% | 0.102 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 174.1 | -178.5 | -106.8 | 0 | 0 | 0 | 112 | Q62 F86 L195 T196 Q201 D202 L204 | Q62-H199 PolarHBondContact O-NE2 2.63Å; F86-H199 HydrophobicContact CD1-CB 4.19Å; L195-H199 WeakPolarHBondContact O-CB 3.35Å; L195-H199 PolarHBondContact O-N 2.87Å; T196-H199 PolarHBondContact O-N 2.98Å; H199-Q201 PolarHBondContact O-N 3.49Å; H199-D202 PolarHBondContact O-N 2.98Å; H199-L204 HydrophobicContact CB-CB 4.44Å; H199-L204 HydrophobicContact CB-CD2 4Å |
| 200 | A | 95.3 | Very high | 95.3 | Very high | 68 Ų | 68 | 30 Ų | 30 | 56% | 0.562 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -69 | -19.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T196 V197 | T196-A200 VanDerWaalsContact O-CB 3.23Å; T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 3.24Å; V197-A200 PolarHBondContact O-N 3.44Å |
| 201 | Q | 94.4 | Very high | 94.9 | Very high | 110 Ų | 110 | 37.7 Ų | 37.7 | 51% | 0.514 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 0.7 | 176.3 | -72.7 | 176.9 | -36.2 | 0 | 0 | 113.1 | V197 K198 H199 D203 | V197-Q201 HydrophobicContact CG1-CG 4.39Å; V197-Q201 WeakPolarHBondContact O-CB 3.34Å; V197-Q201 VanDerWaalsContact O-CG 3.25Å; V197-Q201 WeakPolarHBondContact O-CG 3.35Å; V197-Q201 PolarHBondContact O-N 3.48Å; K198-Q201 PolarHBondContact O-N 3.01Å; H199-Q201 PolarHBondContact O-N 3.49Å; Q201-D203 HydrophobicContact CB-CB 4.29Å; Q201-D203 PolarHBondContact O-N 3.22Å; Q201-D203 PolarHBondContact OE1-OD2 3.02Å |
| 202 | D | 93.5 | Very high | 94.5 | Very high | 144 Ų | 144 | 37.8 Ų | 37.8 | 77% | 0.77 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 20.1 | -170 | -58.8 | -46.2 | 0 | 0 | 0 | 113.8 | K198 H199 L204 | K198-D202 PolarHBondContact O-N 3.49Å; H199-D202 PolarHBondContact O-N 2.98Å; D202-L204 VanDerWaalsContact C-N 3.34Å |
| 203 | D | 95.3 | Very high | 94.1 | Very high | 38 Ų | 38 | 38 Ų | 38 | 20% | 0.203 | 21% | 0.206 | C | C | . | . | trans | -83.8 | -11 | 176.8 | -82.7 | -7 | 0 | 0 | 0 | 112.4 | K198 Q201 Q274 T275 L276 | K198-D203 HydrophobicContact CB-CB 4.41Å; K198-D203 HydrophobicContact CD-CB 3.54Å; K198-D203 IonicContact NZ-OD2 3.33Å; K198-D203 PolarHBondContact NZ-OD2 3.3Å; K198-D203 PolarHBondContact O-N 3.45Å; Q201-D203 HydrophobicContact CB-CB 4.29Å; Q201-D203 PolarHBondContact O-N 3.22Å; Q201-D203 PolarHBondContact OE1-OD2 3.02Å; D203-Q274 VanDerWaalsContact CB-O 3.29Å; D203-Q274 WeakPolarHBondContact CB-O 3.41Å; D203-T275 WeakPolarHBondContact O-CA 3.46Å; D203-T275 WeakPolarHBondContact O-CG2 3.41Å; D203-L276 PolarHBondContact O-N 2.71Å | ||
| 204 | L | 96.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 108.9 | 178.4 | 179.2 | 65.8 | 0 | 0 | 0 | 109.9 | L81 F86 K198 H199 D202 L276 L278 | L81-L204 HydrophobicContact CD1-CD2 4.44Å; F86-L204 HydrophobicContact CD1-CD2 3.96Å; F86-L204 HydrophobicContact CE1-CD2 3.43Å; F86-L204 VanDerWaalsContact CE1-CD2 3.43Å; F86-L204 HydrophobicContact CZ-CD2 4.35Å; K198-L204 HydrophobicContact CB-CB 4.26Å; K198-L204 PolarHBondContact O-N 2.94Å; H199-L204 HydrophobicContact CB-CB 4.44Å; H199-L204 HydrophobicContact CB-CD2 4Å; D202-L204 VanDerWaalsContact C-N 3.34Å; L204-L276 HydrophobicContact CD1-CB 4.32Å; L204-L276 HydrophobicContact CD1-CD2 3.81Å; L204-L276 HydrophobicContact CD1-CG 4.47Å; L204-L278 HydrophobicContact CD1-CD1 3.84Å; L204-L278 HydrophobicContact CD1-CG 4.1Å |
| 205 | V | 95.5 | Very high | 93.2 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.5 | 179.3 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | V207 W230 T275 L276 V277 L278 | V205-V207 HydrophobicContact CG1-CG2 4.26Å; V205-W230 HydrophobicContact CG1-CZ2 4.1Å; V205-T275 HydrophobicContact CB-CG2 4.31Å; V205-T275 HydrophobicContact CG2-CG2 3.64Å; V205-L276 PolarHBondContact N-O 3.43Å; V205-V277 HydrophobicContact CB-CG2 4.29Å; V205-V277 HydrophobicContact CG1-CG1 4.48Å; V205-V277 WeakPolarHBondContact O-CA 3.21Å; V205-L278 PolarHBondContact O-N 3.23Å |
| 206 | I | 96.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.7 | 173.8 | -55.3 | -175.8 | 0 | 0 | 0 | 108.6 | A63 V65 S66 L81 L278 L280 V283 | A63-I206 HydrophobicContact CB-CD1 3.48Å; A63-I206 VanDerWaalsContact CB-CD1 3.48Å; A63-I206 HydrophobicContact CB-CG1 4.12Å; V65-I206 HydrophobicContact CG1-CG2 4.33Å; V65-I206 HydrophobicContact CG2-CG2 4.32Å; S66-I206 PolarHBondContact N-O 3.27Å; S66-I206 PolarHBondContact OG-O 3.29Å; S66-I206 VanDerWaalsContact OG-O 3.04Å; L81-I206 HydrophobicContact CD1-CD1 4.27Å; L81-I206 HydrophobicContact CD2-CD1 3.83Å; L81-I206 HydrophobicContact CG-CD1 4.44Å; I206-L278 CarbonylContact C-O 3.57Å; I206-L278 VanDerWaalsContact CA-O 3.31Å; I206-L278 WeakPolarHBondContact CA-O 3.42Å; I206-L280 HydrophobicContact CG2-CD2 3.65Å; I206-L280 HydrophobicContact CG2-CG 4.39Å; I206-V283 HydrophobicContact CD1-CG1 4.49Å; I206-V283 HydrophobicContact CD1-CG2 4.2Å; I206-V283 HydrophobicContact CG1-CG2 4.31Å; I206-V283 HydrophobicContact CG2-CG2 4.26Å |
| 207 | V | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 150.8 | 179.8 | 170.9 | 0 | 0 | 0 | 0 | 109.5 | S66 L68 V205 F210 V277 L278 P279 L280 | S66-V207 CarbonylContact O-C 3.59Å; S66-V207 WeakPolarHBondContact O-CA 3.45Å; L68-V207 HydrophobicContact CD1-CG1 3.68Å; L68-V207 HydrophobicContact CD1-CG2 4.25Å; L68-V207 HydrophobicContact CD2-CG1 4.44Å; L68-V207 HydrophobicContact CD2-CG2 4.06Å; L68-V207 HydrophobicContact CG-CG1 3.64Å; L68-V207 HydrophobicContact CG-CG2 4.14Å; V205-V207 HydrophobicContact CG1-CG2 4.26Å; V207-F210 HydrophobicContact CB-CE1 4.45Å; V207-F210 HydrophobicContact CG1-CD1 4.32Å; V207-V277 HydrophobicContact CB-CG1 4.36Å; V207-V277 HydrophobicContact CG2-CG1 3.46Å; V207-V277 VanDerWaalsContact CG2-CG1 3.46Å; V207-L278 PolarHBondContact N-O 2.81Å; V207-P279 CarbonylContact O-C 3.48Å; V207-P279 WeakPolarHBondContact O-CA 3.36Å; V207-L280 PolarHBondContact O-N 3.29Å |
| 208 | D | 91.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -59.9 | -73.4 | 172.1 | -63.2 | -53.5 | 0 | 0 | 0 | 110.2 | V65 S66 S67 V76 L280 | V65-D208 HydrophobicContact CG1-CB 4.38Å; V65-D208 WeakPolarHBondContact CG1-OD1 3.27Å; S66-D208 PolarHBondContact O-N 2.8Å; S66-D208 VanDerWaalsContact O-N 3.08Å; S67-D208 PolarHBondContact OG-OD2 3.14Å; V76-D208 WeakPolarHBondContact CG2-OD2 3.44Å; D208-L280 PolarHBondContact O-N 3.31Å |
| 209 | N | 91.1 | Very high | 92.3 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | trans | -142.2 | 141.6 | -179.7 | -75.8 | -37.8 | 0 | 0 | 0 | 110.9 | E211 S212 | N209-E211 VanDerWaalsContact C-N 3.26Å; N209-E211 PolarHBondContact O-N 2.88Å; N209-S212 WeakPolarHBondContact O-CB 3.46Å; N209-S212 PolarHBondContact O-N 3.37Å; N209-S212 PolarHBondContact O-OG 3.1Å | ||
| 210 | F | 91 | Very high | 92.1 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -72.3 | -18.4 | 175.6 | -71.3 | -37.9 | 0 | 0 | 0 | 114.3 | L68 V207 S212 L213 F236 V237 C238 P244 L247 V277 P279 | L68-F210 HydrophobicContact CD1-CD1 3.9Å; L68-F210 HydrophobicContact CD1-CE1 4.45Å; V207-F210 HydrophobicContact CB-CE1 4.45Å; V207-F210 HydrophobicContact CG1-CD1 4.32Å; F210-S212 PolarHBondContact O-N 2.76Å; F210-L213 PolarHBondContact O-N 3.32Å; F210-F236 AromaticContact CE1-CD1 3.84Å; F210-F236 HydrophobicContact CE1-CD1 3.84Å; F210-F236 HydrophobicContact CZ-CB 4.2Å; F210-F236 AromaticContact CZ-CD1 3.95Å; F210-F236 HydrophobicContact CZ-CD1 3.95Å; F210-V237 WeakPolarHBondContact CE2-O 3.4Å; F210-C238 WeakPolarHBondContact CD2-SG 3.48Å; F210-C238 VanDerWaalsContact CE2-SG 3.54Å; F210-P244 HydrophobicContact CB-CG 3.68Å; F210-L247 HydrophobicContact CB-CD1 3.87Å; F210-L247 HydrophobicContact CD1-CD1 3.74Å; F210-L247 HydrophobicContact CD2-CD1 3.93Å; F210-L247 HydrophobicContact CE1-CD1 4.18Å; F210-L247 HydrophobicContact CE2-CD1 4.32Å; F210-L247 HydrophobicContact CG-CD1 3.6Å; F210-L247 HydrophobicContact CZ-CD1 4.44Å; F210-V277 HydrophobicContact CE1-CG1 3.73Å; F210-V277 HydrophobicContact CZ-CG1 4.17Å; F210-P279 HydrophobicContact CD2-CB 4.28Å; F210-P279 HydrophobicContact CD2-CG 3.86Å; F210-P279 HydrophobicContact CE2-CB 4.3Å; F210-P279 VanDerWaalsContact CE2-CD 3.41Å; F210-P279 HydrophobicContact CE2-CG 3.64Å; F210-P279 HydrophobicContact CZ-CG 4.13Å |
| 211 | E | 88.3 | Confident | 92 | Very high | 161 Ų | 161 | 52.4 Ų | 52.4 | 75% | 0.752 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -69.6 | -15.9 | 174.3 | -62.2 | -169.3 | 157.9 | 0 | 0 | 113.3 | N209 L213 P244 | N209-E211 VanDerWaalsContact C-N 3.26Å; N209-E211 PolarHBondContact O-N 2.88Å; E211-L213 PolarHBondContact O-N 3.49Å; E211-L213 VanDerWaalsContact O-N 3.14Å; E211-P244 HydrophobicContact CG-CB 4.17Å |
| 212 | S | 86.9 | Confident | 92 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -66.3 | -8.8 | 176.4 | 63.5 | 0 | 0 | 0 | 0 | 113.9 | L68 D69 N209 F210 P214 | L68-S212 WeakPolarHBondContact CB-OG 3.28Å; L68-S212 PolarHBondContact N-OG 2.93Å; D69-S212 WeakPolarHBondContact OD1-CB 3.37Å; D69-S212 VanDerWaalsContact OD1-O 3.13Å; N209-S212 WeakPolarHBondContact O-CB 3.46Å; N209-S212 PolarHBondContact O-N 3.37Å; N209-S212 PolarHBondContact O-OG 3.1Å; F210-S212 PolarHBondContact O-N 2.76Å; S212-P214 VanDerWaalsContact O-CD 3.26Å; S212-P214 WeakPolarHBondContact O-CD 3.38Å |
| 213 | L | 88.8 | Confident | 92 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -67.6 | 114.4 | 176.6 | -76.8 | 167.6 | 0 | 0 | 0 | 111.4 | L68 F210 E211 Y220 I224 N246 L247 | L68-L213 HydrophobicContact CB-CD2 3.67Å; L68-L213 HydrophobicContact CB-CG 3.92Å; L68-L213 HydrophobicContact CD1-CD1 4.11Å; L68-L213 HydrophobicContact CD1-CD2 3.97Å; L68-L213 HydrophobicContact CD1-CG 3.81Å; L68-L213 HydrophobicContact CG-CD2 4.34Å; F210-L213 PolarHBondContact O-N 3.32Å; E211-L213 PolarHBondContact O-N 3.49Å; E211-L213 VanDerWaalsContact O-N 3.14Å; L213-Y220 HydrophobicContact CD2-CE1 4.28Å; L213-I224 HydrophobicContact CD2-CD1 4.04Å; L213-N246 HydrophobicContact CB-CB 4.45Å; L213-N246 PolarHBondContact O-ND2 2.84Å; L213-L247 HydrophobicContact CD1-CB 4Å; L213-L247 HydrophobicContact CD1-CD1 4.11Å; L213-L247 HydrophobicContact CD1-CG 4.23Å | ||
| 214 | P | 87.4 | Confident | 91.9 | Very high | 82 Ų | 82 | 46.9 Ų | 46.9 | 53% | 0.532 | 25% | 0.246 | S | C | . | . | trans | -73.2 | -35.5 | -172.8 | 28.2 | -35.6 | 0 | 0 | 0 | 113.6 | S212 Y220 | S212-P214 VanDerWaalsContact O-CD 3.26Å; S212-P214 WeakPolarHBondContact O-CD 3.38Å; P214-Y220 HydrophobicContact CG-CE1 3.76Å; P214-Y220 HydrophobicContact CG-CE2 4.38Å; P214-Y220 WeakPolarHBondContact CG-OH 3.01Å | ||
| 215 | S | 88.6 | Confident | 91.8 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | trans | -119.3 | 147.1 | 178.1 | -169 | 0 | 0 | 0 | 0 | 111.5 | D217 | S215-D217 VanDerWaalsContact C-N 3.3Å; S215-D217 PolarHBondContact OG-N 3.15Å; S215-D217 PolarHBondContact OG-OD2 3.17Å | ||
| 216 | G | 88.3 | Confident | 91.7 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | trans | -88.9 | 8.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A250 | G216-A250 PolarHBondContact O-N 2.88Š| ||
| 217 | D | 92.5 | Very high | 91.6 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | trans | -72.9 | 133 | 179.9 | -59.1 | -37 | 0 | 0 | 0 | 111.3 | S215 K219 Y220 | S215-D217 VanDerWaalsContact C-N 3.3Å; S215-D217 PolarHBondContact OG-N 3.15Å; S215-D217 PolarHBondContact OG-OD2 3.17Å; D217-K219 VanDerWaalsContact C-N 3.34Å; D217-K219 PolarHBondContact O-N 3.11Å; D217-Y220 PolarHBondContact O-N 3.06Å | ||
| 218 | A | 92.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y220 L221 E222 E253 I254 | A218-Y220 VanDerWaalsContact C-N 3.26Å; A218-Y220 PolarHBondContact O-N 3.03Å; A218-L221 PolarHBondContact O-N 3.33Å; A218-E222 PolarHBondContact O-N 3.11Å; A218-E253 HydrophobicContact CB-CB 3.9Å; A218-E253 HydrophobicContact CB-CG 3.94Å; A218-E253 WeakPolarHBondContact CB-OE2 3.22Å; A218-I254 HydrophobicContact CB-CD1 3.81Å; A218-I254 HydrophobicContact CB-CG1 3.79Å |
| 219 | K | 93 | Very high | 91.5 | Very high | 159 Ų | 159 | 61.1 Ų | 61.1 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.4 | -40.1 | -179.2 | -66.4 | -177.5 | 179.9 | 178.3 | 0 | 112.7 | D217 L221 E222 D223 | D217-K219 VanDerWaalsContact C-N 3.34Å; D217-K219 PolarHBondContact O-N 3.11Å; K219-L221 VanDerWaalsContact C-N 3.28Å; K219-L221 PolarHBondContact O-N 3.49Å; K219-E222 PolarHBondContact O-N 2.9Å; K219-D223 PolarHBondContact O-N 3.47Å |
| 220 | Y | 92.5 | Very high | 91.5 | Very high | 40 Ų | 40 | 57.7 Ų | 57.7 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 179.1 | -179 | -99.9 | 0 | 0 | 0 | 111.8 | D69 V71 L213 P214 D217 A218 D223 I224 | D69-Y220 PolarHBondContact O-OH 3.16Å; D69-Y220 VanDerWaalsContact O-OH 3.07Å; V71-Y220 HydrophobicContact CG2-CD2 4.1Å; V71-Y220 HydrophobicContact CG2-CE2 3.53Å; L213-Y220 HydrophobicContact CD2-CE1 4.28Å; P214-Y220 HydrophobicContact CG-CE1 3.76Å; P214-Y220 HydrophobicContact CG-CE2 4.38Å; P214-Y220 WeakPolarHBondContact CG-OH 3.01Å; D217-Y220 PolarHBondContact O-N 3.06Å; A218-Y220 VanDerWaalsContact C-N 3.26Å; A218-Y220 PolarHBondContact O-N 3.03Å; Y220-D223 PolarHBondContact O-N 3.22Å; Y220-I224 HydrophobicContact CD1-CD1 3.8Å; Y220-I224 HydrophobicContact CE1-CD1 3.31Å; Y220-I224 HydrophobicContact CE1-CG1 4.27Å; Y220-I224 WeakPolarHBondContact O-CG1 3.38Å; Y220-I224 PolarHBondContact O-N 2.59Å; Y220-I224 VanDerWaalsContact O-N 3.09Å |
| 221 | L | 93.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.2 | -34.1 | 178.2 | -157.3 | 159.1 | 0 | 0 | 0 | 111.3 | A218 K219 I224 A225 F236 A250 F257 | A218-L221 PolarHBondContact O-N 3.33Å; K219-L221 VanDerWaalsContact C-N 3.28Å; K219-L221 PolarHBondContact O-N 3.49Å; L221-I224 PolarHBondContact O-N 3.34Å; L221-A225 PolarHBondContact O-N 3.45Å; L221-F236 HydrophobicContact CD1-CZ 4.44Å; L221-F236 HydrophobicContact CD2-CE2 4.04Å; L221-F236 HydrophobicContact CD2-CZ 3.86Å; L221-A250 HydrophobicContact CB-CB 4.24Å; L221-A250 HydrophobicContact CD1-CB 3.62Å; L221-F257 HydrophobicContact CD2-CD2 3.23Å; L221-F257 HydrophobicContact CD2-CE2 3.07Å; L221-F257 HydrophobicContact CD2-CG 4.3Å; L221-F257 HydrophobicContact CD2-CZ 4.05Å; L221-F257 HydrophobicContact CG-CE2 4.44Å |
| 222 | E | 93.1 | Very high | 91.6 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 169.6 | -66.5 | -178.7 | 156.5 | 0 | 0 | 111.9 | A218 K219 I224 A225 E226 I254 F257 | A218-E222 PolarHBondContact O-N 3.11Å; K219-E222 PolarHBondContact O-N 2.9Å; E222-I224 VanDerWaalsContact C-N 3.3Å; E222-I224 PolarHBondContact O-N 3.23Å; E222-A225 WeakPolarHBondContact O-CB 3.46Å; E222-A225 PolarHBondContact O-N 3.47Å; E222-E226 PolarHBondContact O-N 3.44Å; E222-I254 HydrophobicContact CG-CD1 3.62Å; E222-I254 HydrophobicContact CG-CG1 4.34Å; E222-F257 HydrophobicContact CG-CE2 4.42Å |
| 223 | D | 93.8 | Very high | 92 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 43% | 0.428 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.3 | -66.3 | -22.8 | 0 | 0 | 0 | 111.6 | V71 K219 Y220 S227 | V71-D223 HydrophobicContact CG1-CB 4.11Å; K219-D223 PolarHBondContact O-N 3.47Å; Y220-D223 PolarHBondContact O-N 3.22Å; D223-S227 VanDerWaalsContact O-CB 3.3Å; D223-S227 WeakPolarHBondContact O-CB 3.44Å; D223-S227 PolarHBondContact O-N 2.95Å; D223-S227 PolarHBondContact O-OG 2.94Å |
| 224 | I | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -48.7 | 171.3 | -75.3 | 168.1 | 0 | 0 | 0 | 110.6 | L213 Y220 L221 E222 E226 S227 R228 W230 | L213-I224 HydrophobicContact CD2-CD1 4.04Å; Y220-I224 HydrophobicContact CD1-CD1 3.8Å; Y220-I224 HydrophobicContact CE1-CD1 3.31Å; Y220-I224 HydrophobicContact CE1-CG1 4.27Å; Y220-I224 WeakPolarHBondContact O-CG1 3.38Å; Y220-I224 PolarHBondContact O-N 2.59Å; Y220-I224 VanDerWaalsContact O-N 3.09Å; L221-I224 PolarHBondContact O-N 3.34Å; E222-I224 VanDerWaalsContact C-N 3.3Å; E222-I224 PolarHBondContact O-N 3.23Å; I224-E226 VanDerWaalsContact C-N 3.32Å; I224-E226 PolarHBondContact O-N 3.26Å; I224-S227 PolarHBondContact O-OG 3.31Å; I224-S227 VanDerWaalsContact O-OG 3.12Å; I224-R228 HydrophobicContact CG2-CG 4.45Å; I224-R228 VanDerWaalsContact O-CB 3.3Å; I224-R228 WeakPolarHBondContact O-CB 2.99Å; I224-R228 VanDerWaalsContact O-CG 3.3Å; I224-R228 WeakPolarHBondContact O-CG 3.3Å; I224-R228 PolarHBondContact O-N 2.89Å; I224-W230 HydrophobicContact CG2-CE3 4.27Å; I224-W230 HydrophobicContact CG2-CH2 3.5Å; I224-W230 HydrophobicContact CG2-CZ2 3.99Å; I224-W230 HydrophobicContact CG2-CZ3 3.65Å |
| 225 | A | 93.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -36.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L221 E222 N229 W230 F257 | L221-A225 PolarHBondContact O-N 3.45Å; E222-A225 WeakPolarHBondContact O-CB 3.46Å; E222-A225 PolarHBondContact O-N 3.47Å; A225-N229 WeakPolarHBondContact O-CA 2.89Å; A225-N229 PolarHBondContact O-N 2.89Å; A225-N229 VanDerWaalsContact O-N 3.1Å; A225-W230 HydrophobicContact CB-CB 4.29Å; A225-W230 HydrophobicContact CB-CE3 4.1Å; A225-W230 PolarHBondContact O-N 2.86Å; A225-F257 HydrophobicContact CB-CE1 4.46Å; A225-F257 HydrophobicContact CB-CZ 3.71Å |
| 226 | E | 93.5 | Very high | 93.2 | Very high | 149 Ų | 149 | 53.6 Ų | 53.6 | 70% | 0.696 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.9 | -50.5 | 177 | -173.2 | 171.2 | -168.4 | 0 | 0 | 111.5 | E222 I224 R228 N229 | E222-E226 PolarHBondContact O-N 3.44Å; I224-E226 VanDerWaalsContact C-N 3.32Å; I224-E226 PolarHBondContact O-N 3.26Å; E226-R228 VanDerWaalsContact C-N 3.33Å; E226-R228 PolarHBondContact O-N 2.94Å; E226-N229 PolarHBondContact O-N 3.05Å; E226-N229 PolarHBondContact O-OD1 3.05Å |
| 227 | S | 94.3 | Very high | 93.6 | Very high | 57 Ų | 57 | 52.8 Ų | 52.8 | 40% | 0.399 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.8 | -35.4 | -179 | 60.1 | 0 | 0 | 0 | 0 | 113.4 | V71 D223 I224 | V71-S227 WeakPolarHBondContact CG1-OG 3.17Å; V71-S227 PolarHBondContact O-OG 3.36Å; D223-S227 VanDerWaalsContact O-CB 3.3Å; D223-S227 WeakPolarHBondContact O-CB 3.44Å; D223-S227 PolarHBondContact O-N 2.95Å; D223-S227 PolarHBondContact O-OG 2.94Å; I224-S227 PolarHBondContact O-OG 3.31Å; I224-S227 VanDerWaalsContact O-OG 3.12Å |
| 228 | R | 92.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0 | 179.4 | -56.4 | -176.3 | -172.2 | -163.3 | 3.9 | 113.8 | S67 K70 V71 E72 E73 I224 E226 W230 | S67-R228 PolarHBondContact O-NH1 3.3Å; S67-R228 PolarHBondContact O-NH2 3.36Å; K70-R228 PolarHBondContact O-NH2 3.29Å; V71-R228 PolarHBondContact O-NE 3.25Å; E72-R228 PolarHBondContact O-NH2 2.88Å; E73-R228 HydrophobicContact CB-CG 4.21Å; I224-R228 HydrophobicContact CG2-CG 4.45Å; I224-R228 VanDerWaalsContact O-CB 3.3Å; I224-R228 WeakPolarHBondContact O-CB 2.99Å; I224-R228 VanDerWaalsContact O-CG 3.3Å; I224-R228 WeakPolarHBondContact O-CG 3.3Å; I224-R228 PolarHBondContact O-N 2.89Å; E226-R228 VanDerWaalsContact C-N 3.33Å; E226-R228 PolarHBondContact O-N 2.94Å; R228-W230 HydrophobicContact CB-CG 4.43Å; R228-W230 PolarHBondContact O-N 3.36Å |
| 229 | N | 92.1 | Very high | 93.6 | Very high | 139 Ų | 139 | 52.7 Ų | 52.7 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 43.1 | -179.7 | -60.7 | -65 | 0 | 0 | 0 | 114.8 | A225 E226 G231 | A225-N229 WeakPolarHBondContact O-CA 2.89Å; A225-N229 PolarHBondContact O-N 2.89Å; A225-N229 VanDerWaalsContact O-N 3.1Å; E226-N229 PolarHBondContact O-N 3.05Å; E226-N229 PolarHBondContact O-OD1 3.05Å; N229-G231 PolarHBondContact O-N 3.05Å; N229-G231 VanDerWaalsContact O-N 3.12Å |
| 230 | W | 92.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | trans | -71.8 | 1.6 | 175.4 | -65.2 | -8.9 | 0 | 0 | 0 | 114.1 | L68 V205 I224 A225 R228 V234 F236 T275 V277 | L68-W230 HydrophobicContact CD2-CH2 3.74Å; L68-W230 HydrophobicContact CD2-CZ2 4.25Å; V205-W230 HydrophobicContact CG1-CZ2 4.1Å; I224-W230 HydrophobicContact CG2-CE3 4.27Å; I224-W230 HydrophobicContact CG2-CH2 3.5Å; I224-W230 HydrophobicContact CG2-CZ2 3.99Å; I224-W230 HydrophobicContact CG2-CZ3 3.65Å; A225-W230 HydrophobicContact CB-CB 4.29Å; A225-W230 HydrophobicContact CB-CE3 4.1Å; A225-W230 PolarHBondContact O-N 2.86Å; R228-W230 HydrophobicContact CB-CG 4.43Å; R228-W230 PolarHBondContact O-N 3.36Å; W230-V234 HydrophobicContact CB-CG2 3.82Å; W230-V234 HydrophobicContact CE3-CG1 4.26Å; W230-V234 HydrophobicContact CE3-CG2 4.31Å; W230-F236 HydrophobicContact CZ3-CE1 4.02Å; W230-F236 AromaticContact CZ3-CZ 3.94Å; W230-F236 HydrophobicContact CZ3-CZ 3.94Å; W230-T275 VanDerWaalsContact C-OG1 3.29Å; W230-T275 WeakPolarHBondContact CA-OG1 3.45Å; W230-T275 HydrophobicContact CB-CG2 3.98Å; W230-T275 HydrophobicContact CD2-CG2 4.46Å; W230-T275 HydrophobicContact CG-CG2 3.91Å; W230-T275 VanDerWaalsContact O-CB 3.3Å; W230-T275 WeakPolarHBondContact O-CB 3.31Å; W230-T275 PolarHBondContact O-OG1 3.24Å; W230-V277 HydrophobicContact CE3-CG2 4.35Å; W230-V277 HydrophobicContact CH2-CG2 4.34Å; W230-V277 HydrophobicContact CZ2-CG2 4.5Å; W230-V277 HydrophobicContact CZ3-CG2 4.28Å | ||
| 231 | G | 89.5 | Confident | 93.1 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | trans | 73.3 | -166.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | N229 | N229-G231 PolarHBondContact O-N 3.05Å; N229-G231 VanDerWaalsContact O-N 3.12Å | ||
| 232 | F | 90.1 | Very high | 92.8 | Very high | 173 Ų | 173 | 60.4 Ų | 60.4 | 76% | 0.759 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -77.8 | -23.9 | -169.7 | -65 | -77.2 | 0 | 0 | 0 | 114.1 | S256 | F232-S256 WeakPolarHBondContact O-CB 3.24Å; F232-S256 PolarHBondContact O-OG 3.12Å |
| 233 | S | 95.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | trans | -143.1 | 130 | -172.3 | 59 | 0 | 0 | 0 | 0 | 110.8 | S256 H273 Q274 T275 | S233-S256 WeakPolarHBondContact CA-O 3.3Å; S233-H273 WeakPolarHBondContact OG-CA 3.42Å; S233-Q274 PolarHBondContact O-N 3.27Å; S233-Q274 PolarHBondContact OG-N 2.87Å; S233-T275 PolarHBondContact O-N 2.98Å | ||
| 234 | V | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.9 | -170.3 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | W230 F236 S256 F257 N258 H273 T275 V277 | W230-V234 HydrophobicContact CB-CG2 3.82Å; W230-V234 HydrophobicContact CE3-CG1 4.26Å; W230-V234 HydrophobicContact CE3-CG2 4.31Å; V234-F236 HydrophobicContact CB-CE2 4.3Å; V234-F236 HydrophobicContact CB-CZ 4.46Å; V234-F236 HydrophobicContact CG1-CD2 4.4Å; V234-F236 HydrophobicContact CG1-CE1 4.14Å; V234-F236 HydrophobicContact CG1-CE2 3.88Å; V234-F236 HydrophobicContact CG1-CZ 3.72Å; V234-S256 PolarHBondContact N-O 3.31Å; V234-F257 HydrophobicContact CB-CD1 3.58Å; V234-F257 HydrophobicContact CB-CE1 3.81Å; V234-F257 HydrophobicContact CB-CG 4.39Å; V234-F257 HydrophobicContact CG2-CD1 3.83Å; V234-F257 HydrophobicContact CG2-CE1 3.48Å; V234-F257 VanDerWaalsContact CG2-CE1 3.48Å; V234-F257 HydrophobicContact CG2-CZ 4.31Å; V234-F257 WeakPolarHBondContact O-CA 3.23Å; V234-N258 PolarHBondContact O-N 3.35Å; V234-H273 PolarHBondContact O-CD2 3.24Å; V234-T275 WeakPolarHBondContact CA-O 3.3Å; V234-V277 HydrophobicContact CG1-CG2 3.53Å |
| 235 | L | 97.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115 | 174 | -178.9 | 64 | 0 | 0 | 0 | 109.9 | V237 N258 M260 L265 H273 T275 V277 | L235-V237 HydrophobicContact CD2-CG2 4.31Å; L235-V237 HydrophobicContact CG-CG2 4.09Å; L235-N258 WeakPolarHBondContact CA-O 3.46Å; L235-N258 HydrophobicContact CD1-CB 4.03Å; L235-M260 HydrophobicContact CD1-CB 4Å; L235-L265 HydrophobicContact CD2-CD1 4.17Å; L235-H273 HydrophobicContact CB-CB 3.97Å; L235-T275 PolarHBondContact N-O 3.2Å; L235-V277 PolarHBondContact O-N 3.43Å |
| 236 | F | 96.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 130.2 | 170.4 | -62 | -77.7 | 0 | 0 | 0 | 109.6 | F210 L221 W230 V234 L247 F257 N258 L259 M260 V277 | F210-F236 AromaticContact CE1-CD1 3.84Å; F210-F236 HydrophobicContact CE1-CD1 3.84Å; F210-F236 HydrophobicContact CZ-CB 4.2Å; F210-F236 AromaticContact CZ-CD1 3.95Å; F210-F236 HydrophobicContact CZ-CD1 3.95Å; L221-F236 HydrophobicContact CD1-CZ 4.44Å; L221-F236 HydrophobicContact CD2-CE2 4.04Å; L221-F236 HydrophobicContact CD2-CZ 3.86Å; W230-F236 HydrophobicContact CZ3-CE1 4.02Å; W230-F236 AromaticContact CZ3-CZ 3.94Å; W230-F236 HydrophobicContact CZ3-CZ 3.94Å; V234-F236 HydrophobicContact CB-CE2 4.3Å; V234-F236 HydrophobicContact CB-CZ 4.46Å; V234-F236 HydrophobicContact CG1-CD2 4.4Å; V234-F236 HydrophobicContact CG1-CE1 4.14Å; V234-F236 HydrophobicContact CG1-CE2 3.88Å; V234-F236 HydrophobicContact CG1-CZ 3.72Å; F236-L247 HydrophobicContact CB-CD1 4.39Å; F236-L247 HydrophobicContact CB-CD2 4.27Å; F236-L247 HydrophobicContact CD1-CD1 4.16Å; F236-L247 HydrophobicContact CG-CD1 4.23Å; F236-L247 HydrophobicContact CG-CD2 4.39Å; F236-F257 HydrophobicContact CE2-CB 4.21Å; F236-F257 HydrophobicContact CE2-CD2 4.47Å; F236-F257 HydrophobicContact CE2-CG 4.28Å; F236-N258 PolarHBondContact N-O 3.48Å; F236-L259 HydrophobicContact CB-CD1 4.03Å; F236-L259 WeakPolarHBondContact O-CA 3.49Å; F236-M260 PolarHBondContact O-N 2.66Å; F236-V277 HydrophobicContact CD1-CB 3.65Å; F236-V277 HydrophobicContact CD1-CG1 3.96Å; F236-V277 HydrophobicContact CD1-CG2 4.09Å; F236-V277 HydrophobicContact CE1-CB 3.81Å; F236-V277 HydrophobicContact CE1-CG1 3.99Å; F236-V277 HydrophobicContact CE1-CG2 3.77Å; F236-V277 HydrophobicContact CZ-CG2 4.49Å |
| 237 | V | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.3 | 178 | -168.3 | 0 | 0 | 0 | 0 | 111 | F210 L235 M260 A262 L265 L276 V277 L278 P279 T282 | F210-V237 WeakPolarHBondContact CE2-O 3.4Å; L235-V237 HydrophobicContact CD2-CG2 4.31Å; L235-V237 HydrophobicContact CG-CG2 4.09Å; V237-M260 CarbonylContact C-O 3.4Å; V237-M260 WeakPolarHBondContact CA-O 3.36Å; V237-A262 HydrophobicContact CG1-CB 4.16Å; V237-L265 HydrophobicContact CG2-CD1 3.85Å; V237-L276 HydrophobicContact CG2-CD2 4.2Å; V237-V277 PolarHBondContact N-O 2.73Å; V237-V277 VanDerWaalsContact N-O 3.13Å; V237-L278 HydrophobicContact CB-CD2 3.43Å; V237-L278 VanDerWaalsContact CB-CD2 3.43Å; V237-L278 HydrophobicContact CG1-CD2 4.22Å; V237-L278 HydrophobicContact CG2-CD2 3.66Å; V237-P279 WeakPolarHBondContact O-CD 3.29Å; V237-T282 HydrophobicContact CB-CG2 4.36Å; V237-T282 HydrophobicContact CG1-CG2 3.98Å; V237-T282 PolarHBondContact O-OG1 3.37Å |
| 238 | C | 93.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 146 | 177.9 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | F210 L259 M260 P261 A262 | F210-C238 WeakPolarHBondContact CD2-SG 3.48Å; F210-C238 VanDerWaalsContact CE2-SG 3.54Å; C238-L259 VanDerWaalsContact SG-CD1 3.58Å; C238-M260 PolarHBondContact N-O 3.3Å; C238-P261 CarbonylContact O-C 3.58Å; C238-P261 WeakPolarHBondContact O-CA 3.17Å; C238-A262 WeakPolarHBondContact O-CB 3.3Å; C238-A262 PolarHBondContact O-N 2.83Å |
| 239 | K | 92.1 | Very high | 92.1 | Very high | 98 Ų | 98 | 61.4 Ų | 61.4 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -67.6 | -41.8 | 172.2 | 176.6 | -177.2 | 169.7 | -171.8 | 0 | 111.5 | D281 T282 Y285 | K239-D281 HydrophobicContact CD-CB 4.16Å; K239-T282 WeakPolarHBondContact CB-OG1 3.45Å; K239-T282 PolarHBondContact N-OG1 3.12Å; K239-Y285 HydrophobicContact CG-CD1 4.49Å; K239-Y285 HydrophobicContact CG-CD2 4.44Å; K239-Y285 HydrophobicContact CG-CG 4.12Å |
| 240 | E | 88.8 | Confident | 92.1 | Very high | 129 Ų | 129 | 54.9 Ų | 54.9 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -84.2 | 154.8 | -175.6 | -61.2 | 179.3 | 176.9 | 0 | 0 | 112.1 | V242 | E240-V242 VanDerWaalsContact C-N 3.32Š|
| 241 | D | 86.1 | Confident | 92.1 | Very high | 122 Ų | 122 | 55 Ų | 55 | 65% | 0.652 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -67.6 | -35 | 174.3 | -81 | -46.1 | 0 | 0 | 0 | 112.3 | Y263 | D241-Y263 WeakPolarHBondContact OD1-CE1 3.46Å; D241-Y263 PolarHBondContact OD1-OH 3.48Å |
| 242 | V | 87.6 | Confident | 92.3 | Very high | 115 Ų | 115 | 58 Ų | 58 | 70% | 0.697 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -94.8 | 114.4 | 178.9 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | E240 | E240-V242 VanDerWaalsContact C-N 3.32Š|
| 243 | A | 86.5 | Confident | 92.4 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | trans | -78.2 | 154.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L259 | A243-L259 HydrophobicContact CB-CD1 4.11Å; A243-L259 HydrophobicContact CB-CD2 3.24Å; A243-L259 HydrophobicContact CB-CG 4.11Å | ||
| 244 | P | 90.9 | Very high | 92.3 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | trans | -62.1 | 141.3 | 176.7 | 23.8 | -31.6 | 0 | 0 | 0 | 111.2 | F210 E211 N246 L247 A248 | F210-P244 HydrophobicContact CB-CG 3.68Å; E211-P244 HydrophobicContact CG-CB 4.17Å; P244-N246 VanDerWaalsContact C-N 3.34Å; P244-N246 PolarHBondContact O-N 3.41Å; P244-L247 HydrophobicContact CG-CB 3.99Å; P244-L247 PolarHBondContact O-N 3.43Å; P244-A248 PolarHBondContact O-N 2.93Å | ||
| 245 | K | 90.5 | Very high | 92 | Very high | 177 Ų | 177 | 60.9 Ų | 60.9 | 77% | 0.77 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -56 | -45.3 | -170.4 | -65.5 | 178.6 | -178.3 | 174.7 | 0 | 112.8 | L247 A248 L249 | K245-L247 PolarHBondContact O-N 3.37Å; K245-A248 PolarHBondContact O-N 2.95Å; K245-L249 VanDerWaalsContact O-CG 3.3Å; K245-L249 WeakPolarHBondContact O-CG 3.25Å; K245-L249 PolarHBondContact O-N 3.43Å |
| 246 | N | 92.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 63 Ų | 63 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | -177 | -65.9 | -1.5 | 0 | 0 | 0 | 111.5 | L213 P244 L249 A250 | L213-N246 HydrophobicContact CB-CB 4.45Å; L213-N246 PolarHBondContact O-ND2 2.84Å; P244-N246 VanDerWaalsContact C-N 3.34Å; P244-N246 PolarHBondContact O-N 3.41Å; N246-L249 PolarHBondContact O-N 2.94Å; N246-A250 WeakPolarHBondContact O-CB 3.41Å; N246-A250 PolarHBondContact O-N 3.07Å |
| 247 | L | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 178.7 | -168.2 | 155.3 | 0 | 0 | 0 | 111.2 | F210 L213 F236 P244 K245 L249 A250 C251 L259 | F210-L247 HydrophobicContact CB-CD1 3.87Å; F210-L247 HydrophobicContact CD1-CD1 3.74Å; F210-L247 HydrophobicContact CD2-CD1 3.93Å; F210-L247 HydrophobicContact CE1-CD1 4.18Å; F210-L247 HydrophobicContact CE2-CD1 4.32Å; F210-L247 HydrophobicContact CG-CD1 3.6Å; F210-L247 HydrophobicContact CZ-CD1 4.44Å; L213-L247 HydrophobicContact CD1-CB 4Å; L213-L247 HydrophobicContact CD1-CD1 4.11Å; L213-L247 HydrophobicContact CD1-CG 4.23Å; F236-L247 HydrophobicContact CB-CD1 4.39Å; F236-L247 HydrophobicContact CB-CD2 4.27Å; F236-L247 HydrophobicContact CD1-CD1 4.16Å; F236-L247 HydrophobicContact CG-CD1 4.23Å; F236-L247 HydrophobicContact CG-CD2 4.39Å; P244-L247 HydrophobicContact CG-CB 3.99Å; P244-L247 PolarHBondContact O-N 3.43Å; K245-L247 PolarHBondContact O-N 3.37Å; L247-L249 PolarHBondContact O-N 3.34Å; L247-A250 PolarHBondContact O-N 3.38Å; L247-C251 VanDerWaalsContact CD2-SG 3.57Å; L247-C251 VanDerWaalsContact O-CB 3.32Å; L247-C251 WeakPolarHBondContact O-CB 3.4Å; L247-C251 PolarHBondContact O-N 2.94Å; L247-C251 PolarHBondContact O-SG 3.14Å; L247-L259 HydrophobicContact CD2-CB 4.29Å; L247-L259 HydrophobicContact CD2-CD1 3.54Å; L247-L259 HydrophobicContact CD2-CD2 3.8Å; L247-L259 HydrophobicContact CD2-CG 4.06Å |
| 248 | A | 92.8 | Very high | 91.8 | Very high | 38 Ų | 38 | 66 Ų | 66 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P244 K245 S252 L259 | P244-A248 PolarHBondContact O-N 2.93Å; K245-A248 PolarHBondContact O-N 2.95Å; A248-S252 VanDerWaalsContact O-CB 3.32Å; A248-S252 WeakPolarHBondContact O-CB 3.28Å; A248-S252 PolarHBondContact O-N 3.12Å; A248-L259 HydrophobicContact CB-CD2 4.42Å |
| 249 | L | 92.8 | Very high | 91.8 | Very high | 104 Ų | 104 | 68.3 Ų | 68.3 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -51.8 | 175.6 | -70.4 | 173 | 0 | 0 | 0 | 111.1 | K245 N246 L247 C251 S252 | K245-L249 VanDerWaalsContact O-CG 3.3Å; K245-L249 WeakPolarHBondContact O-CG 3.25Å; K245-L249 PolarHBondContact O-N 3.43Å; N246-L249 PolarHBondContact O-N 2.94Å; L247-L249 PolarHBondContact O-N 3.34Å; L249-C251 PolarHBondContact O-N 2.97Å; L249-S252 PolarHBondContact O-N 2.87Å; L249-S252 VanDerWaalsContact O-N 3.16Å; L249-S252 PolarHBondContact O-OG 2.89Å |
| 250 | A | 92.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 2% | 0.017 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G216 L221 N246 L247 S252 E253 I254 | G216-A250 PolarHBondContact O-N 2.88Å; L221-A250 HydrophobicContact CB-CB 4.24Å; L221-A250 HydrophobicContact CD1-CB 3.62Å; N246-A250 WeakPolarHBondContact O-CB 3.41Å; N246-A250 PolarHBondContact O-N 3.07Å; L247-A250 PolarHBondContact O-N 3.38Å; A250-S252 VanDerWaalsContact C-N 3.31Å; A250-S252 PolarHBondContact O-N 2.95Å; A250-E253 PolarHBondContact O-N 2.87Å; A250-I254 PolarHBondContact O-N 3.34Å |
| 251 | C | 93.2 | Very high | 92.2 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 10% | 0.095 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.8 | -25.9 | 177.9 | -69.5 | 0 | 0 | 0 | 0 | 113.2 | L247 L249 E253 | L247-C251 VanDerWaalsContact CD2-SG 3.57Å; L247-C251 VanDerWaalsContact O-CB 3.32Å; L247-C251 WeakPolarHBondContact O-CB 3.4Å; L247-C251 PolarHBondContact O-N 2.94Å; L247-C251 PolarHBondContact O-SG 3.14Å; L249-C251 PolarHBondContact O-N 2.97Å; C251-E253 VanDerWaalsContact C-N 3.28Å; C251-E253 PolarHBondContact O-N 3.38Å |
| 252 | S | 92.6 | Very high | 92.5 | Very high | 97 Ų | 97 | 55.5 Ų | 55.5 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -69.7 | -28 | 179.6 | 73.5 | 0 | 0 | 0 | 0 | 113 | A248 L249 A250 | A248-S252 VanDerWaalsContact O-CB 3.32Å; A248-S252 WeakPolarHBondContact O-CB 3.28Å; A248-S252 PolarHBondContact O-N 3.12Å; L249-S252 PolarHBondContact O-N 2.87Å; L249-S252 VanDerWaalsContact O-N 3.16Å; L249-S252 PolarHBondContact O-OG 2.89Å; A250-S252 VanDerWaalsContact C-N 3.31Å; A250-S252 PolarHBondContact O-N 2.95Å |
| 253 | E | 93.7 | Very high | 92.7 | Very high | 149 Ų | 149 | 57.4 Ų | 57.4 | 70% | 0.696 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -83.9 | -32 | 178.9 | -170.9 | 168.9 | -170.3 | 0 | 0 | 111.8 | A218 A250 C251 | A218-E253 HydrophobicContact CB-CB 3.9Å; A218-E253 HydrophobicContact CB-CG 3.94Å; A218-E253 WeakPolarHBondContact CB-OE2 3.22Å; A250-E253 PolarHBondContact O-N 2.87Å; C251-E253 VanDerWaalsContact C-N 3.28Å; C251-E253 PolarHBondContact O-N 3.38Å |
| 254 | I | 93.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | trans | -99 | 109.5 | -174.7 | -55.8 | 165.7 | 0 | 0 | 0 | 111.4 | A218 E222 A250 S256 F257 | A218-I254 HydrophobicContact CB-CD1 3.81Å; A218-I254 HydrophobicContact CB-CG1 3.79Å; E222-I254 HydrophobicContact CG-CD1 3.62Å; E222-I254 HydrophobicContact CG-CG1 4.34Å; A250-I254 PolarHBondContact O-N 3.34Å; I254-S256 VanDerWaalsContact C-N 3.27Å; I254-S256 WeakPolarHBondContact CG2-OG 3.45Å; I254-S256 PolarHBondContact O-N 2.65Å; I254-F257 HydrophobicContact CB-CB 4.41Å; I254-F257 HydrophobicContact CB-CD2 3.92Å; I254-F257 HydrophobicContact CB-CG 4.36Å; I254-F257 HydrophobicContact CD1-CD2 3.52Å; I254-F257 HydrophobicContact CD1-CE2 3.61Å; I254-F257 HydrophobicContact CG1-CD2 4.34Å; I254-F257 HydrophobicContact CG2-CB 4.2Å; I254-F257 HydrophobicContact CG2-CD1 4.37Å; I254-F257 HydrophobicContact CG2-CD2 3.59Å; I254-F257 HydrophobicContact CG2-CE2 3.99Å; I254-F257 HydrophobicContact CG2-CG 3.82Å; I254-F257 PolarHBondContact O-N 3.44Å | ||
| 255 | A | 90.8 | Very high | 93.1 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 82% | 0.818 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 256 | S | 93.5 | Very high | 93.3 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -21.1 | 179.5 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | F232 S233 V234 I254 | F232-S256 WeakPolarHBondContact O-CB 3.24Å; F232-S256 PolarHBondContact O-OG 3.12Å; S233-S256 WeakPolarHBondContact CA-O 3.3Å; V234-S256 PolarHBondContact N-O 3.31Å; I254-S256 VanDerWaalsContact C-N 3.27Å; I254-S256 WeakPolarHBondContact CG2-OG 3.45Å; I254-S256 PolarHBondContact O-N 2.65Å |
| 257 | F | 95.5 | Very high | 93.5 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 4% | 0.044 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.6 | 177.8 | -60.9 | -19.2 | 0 | 0 | 0 | 110 | L221 E222 A225 V234 F236 I254 | L221-F257 HydrophobicContact CD2-CD2 3.23Å; L221-F257 HydrophobicContact CD2-CE2 3.07Å; L221-F257 HydrophobicContact CD2-CG 4.3Å; L221-F257 HydrophobicContact CD2-CZ 4.05Å; L221-F257 HydrophobicContact CG-CE2 4.44Å; E222-F257 HydrophobicContact CG-CE2 4.42Å; A225-F257 HydrophobicContact CB-CE1 4.46Å; A225-F257 HydrophobicContact CB-CZ 3.71Å; V234-F257 HydrophobicContact CB-CD1 3.58Å; V234-F257 HydrophobicContact CB-CE1 3.81Å; V234-F257 HydrophobicContact CB-CG 4.39Å; V234-F257 HydrophobicContact CG2-CD1 3.83Å; V234-F257 HydrophobicContact CG2-CE1 3.48Å; V234-F257 VanDerWaalsContact CG2-CE1 3.48Å; V234-F257 HydrophobicContact CG2-CZ 4.31Å; V234-F257 WeakPolarHBondContact O-CA 3.23Å; F236-F257 HydrophobicContact CE2-CB 4.21Å; F236-F257 HydrophobicContact CE2-CD2 4.47Å; F236-F257 HydrophobicContact CE2-CG 4.28Å; I254-F257 HydrophobicContact CB-CB 4.41Å; I254-F257 HydrophobicContact CB-CD2 3.92Å; I254-F257 HydrophobicContact CB-CG 4.36Å; I254-F257 HydrophobicContact CD1-CD2 3.52Å; I254-F257 HydrophobicContact CD1-CE2 3.61Å; I254-F257 HydrophobicContact CG1-CD2 4.34Å; I254-F257 HydrophobicContact CG2-CB 4.2Å; I254-F257 HydrophobicContact CG2-CD1 4.37Å; I254-F257 HydrophobicContact CG2-CD2 3.59Å; I254-F257 HydrophobicContact CG2-CE2 3.99Å; I254-F257 HydrophobicContact CG2-CG 3.82Å; I254-F257 PolarHBondContact O-N 3.44Å |
| 258 | N | 95.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.5 | 178.5 | -73.5 | -72.5 | 0 | 0 | 0 | 109.6 | V234 L235 F236 K272 H273 | V234-N258 PolarHBondContact O-N 3.35Å; L235-N258 WeakPolarHBondContact CA-O 3.46Å; L235-N258 HydrophobicContact CD1-CB 4.03Å; F236-N258 PolarHBondContact N-O 3.48Å; N258-K272 PolarHBondContact ND2-NZ 3.38Å; N258-H273 PolarHBondContact ND2-NE2 2.87Å |
| 259 | L | 94.1 | Very high | 93.7 | Very high | 59 Ų | 59 | 49 Ų | 49 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.6 | 176.1 | 173.6 | 61.2 | 0 | 0 | 0 | 108.6 | F236 C238 A243 L247 A248 | F236-L259 HydrophobicContact CB-CD1 4.03Å; F236-L259 WeakPolarHBondContact O-CA 3.49Å; C238-L259 VanDerWaalsContact SG-CD1 3.58Å; A243-L259 HydrophobicContact CB-CD1 4.11Å; A243-L259 HydrophobicContact CB-CD2 3.24Å; A243-L259 HydrophobicContact CB-CG 4.11Å; L247-L259 HydrophobicContact CD2-CB 4.29Å; L247-L259 HydrophobicContact CD2-CD1 3.54Å; L247-L259 HydrophobicContact CD2-CD2 3.8Å; L247-L259 HydrophobicContact CD2-CG 4.06Å; A248-L259 HydrophobicContact CB-CD2 4.42Å |
| 260 | M | 94.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 21% | 0.212 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142.2 | -177.8 | -164.2 | 167 | -152.1 | 0 | 0 | 111.5 | L235 F236 V237 C238 G264 | L235-M260 HydrophobicContact CD1-CB 4Å; F236-M260 PolarHBondContact O-N 2.66Å; V237-M260 CarbonylContact C-O 3.4Å; V237-M260 WeakPolarHBondContact CA-O 3.36Å; C238-M260 PolarHBondContact N-O 3.3Å; M260-G264 VanDerWaalsContact CE-C 3.47Å; M260-G264 WeakPolarHBondContact CE-O 3.42Å |
| 261 | P | 95.3 | Very high | 94 | Very high | 34 Ų | 34 | 48 Ų | 48 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 156 | 170.2 | 30.8 | -35.7 | 0 | 0 | 0 | 111.6 | C238 Y263 G264 L265 | C238-P261 CarbonylContact O-C 3.58Å; C238-P261 WeakPolarHBondContact O-CA 3.17Å; P261-Y263 VanDerWaalsContact C-N 3.35Å; P261-Y263 HydrophobicContact CB-CD1 3.95Å; P261-Y263 HydrophobicContact CB-CE1 3.42Å; P261-Y263 VanDerWaalsContact CB-CE1 3.42Å; P261-Y263 HydrophobicContact CB-CE2 4.35Å; P261-Y263 HydrophobicContact CG-CD1 4.39Å; P261-Y263 HydrophobicContact CG-CD2 4.42Å; P261-Y263 HydrophobicContact CG-CE1 3.75Å; P261-Y263 HydrophobicContact CG-CE2 3.77Å; P261-Y263 PolarHBondContact O-N 3.42Å; P261-G264 WeakPolarHBondContact O-CA 3.32Å; P261-G264 PolarHBondContact O-N 2.88Å; P261-L265 PolarHBondContact O-N 3.13Å |
| 262 | A | 92.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -62.5 | -36.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V237 C238 G264 L265 T282 Y285 L286 | V237-A262 HydrophobicContact CG1-CB 4.16Å; C238-A262 WeakPolarHBondContact O-CB 3.3Å; C238-A262 PolarHBondContact O-N 2.83Å; A262-G264 PolarHBondContact O-N 3.26Å; A262-L265 VanDerWaalsContact O-CB 3.3Å; A262-L265 WeakPolarHBondContact O-CB 3.39Å; A262-L265 PolarHBondContact O-N 2.92Å; A262-T282 HydrophobicContact CB-CG2 3.88Å; A262-Y285 HydrophobicContact CB-CD1 3.75Å; A262-Y285 HydrophobicContact CB-CE1 3.82Å; A262-L286 HydrophobicContact CB-CD2 4.13Å; A262-L286 HydrophobicContact CB-CG 4.49Å |
| 263 | Y | 90.8 | Very high | 94.2 | Very high | 154 Ų | 154 | 48.6 Ų | 48.6 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -68.7 | -20.6 | 175 | 59.9 | -96.2 | 0 | 0 | 0 | 113.2 | D241 P261 | D241-Y263 WeakPolarHBondContact OD1-CE1 3.46Å; D241-Y263 PolarHBondContact OD1-OH 3.48Å; P261-Y263 VanDerWaalsContact C-N 3.35Å; P261-Y263 HydrophobicContact CB-CD1 3.95Å; P261-Y263 HydrophobicContact CB-CE1 3.42Å; P261-Y263 VanDerWaalsContact CB-CE1 3.42Å; P261-Y263 HydrophobicContact CB-CE2 4.35Å; P261-Y263 HydrophobicContact CG-CD1 4.39Å; P261-Y263 HydrophobicContact CG-CD2 4.42Å; P261-Y263 HydrophobicContact CG-CE1 3.75Å; P261-Y263 HydrophobicContact CG-CE2 3.77Å; P261-Y263 PolarHBondContact O-N 3.42Å |
| 264 | G | 90.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -84.7 | -9.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M260 P261 A262 N266 | M260-G264 VanDerWaalsContact CE-C 3.47Å; M260-G264 WeakPolarHBondContact CE-O 3.42Å; P261-G264 WeakPolarHBondContact O-CA 3.32Å; P261-G264 PolarHBondContact O-N 2.88Å; A262-G264 PolarHBondContact O-N 3.26Å; G264-N266 PolarHBondContact O-N 3.23Å; G264-N266 PolarHBondContact O-ND2 2.81Å; G264-N266 VanDerWaalsContact O-ND2 3.11Å |
| 265 | L | 95.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | trans | -57.9 | 124.6 | -175.8 | -174.2 | 63.1 | 0 | 0 | 0 | 110.8 | L191 L235 V237 P261 A262 M270 L286 | L191-L265 HydrophobicContact CD1-CD2 4.35Å; L191-L265 HydrophobicContact CD1-CG 4.24Å; L235-L265 HydrophobicContact CD2-CD1 4.17Å; V237-L265 HydrophobicContact CG2-CD1 3.85Å; P261-L265 PolarHBondContact O-N 3.13Å; A262-L265 VanDerWaalsContact O-CB 3.3Å; A262-L265 WeakPolarHBondContact O-CB 3.39Å; A262-L265 PolarHBondContact O-N 2.92Å; L265-M270 HydrophobicContact CD1-CG 3.74Å; L265-M270 HydrophobicContact CD1-SD 4.15Å; L265-M270 HydrophobicContact CD2-SD 4.41Å; L265-M270 HydrophobicContact CG-CG 4.4Å; L265-M270 HydrophobicContact CG-SD 4.19Å; L265-L286 HydrophobicContact CD2-CD1 3.58Å; L265-L286 HydrophobicContact CD2-CD2 4.08Å | ||
| 266 | N | 95.2 | Very high | 94.8 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | trans | -142.8 | 154.8 | -172.5 | 72 | 67 | 0 | 0 | 0 | 111.6 | G264 F268 S269 M270 | G264-N266 PolarHBondContact O-N 3.23Å; G264-N266 PolarHBondContact O-ND2 2.81Å; G264-N266 VanDerWaalsContact O-ND2 3.11Å; N266-F268 VanDerWaalsContact C-N 3.31Å; N266-F268 PolarHBondContact O-N 2.71Å; N266-F268 WeakPolarHBondContact OD1-CB 3.39Å; N266-F268 PolarHBondContact OD1-N 2.77Å; N266-F268 VanDerWaalsContact OD1-N 3.16Å; N266-S269 PolarHBondContact ND2-OG 3.38Å; N266-S269 PolarHBondContact O-N 3.02Å; N266-S269 WeakPolarHBondContact OD1-CB 3.36Å; N266-S269 PolarHBondContact OD1-N 3.12Å; N266-S269 PolarHBondContact OD1-OG 3.36Å; N266-M270 WeakPolarHBondContact O-CG 3.3Å; N266-M270 PolarHBondContact O-N 3.37Å | ||
| 267 | C | 95.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -37.2 | -176.7 | -52.4 | 0 | 0 | 0 | 0 | 113.2 | N98 G190 M270 L271 | N98-C267 HydrophobicContact CB-CB 4.13Å; G190-C267 PolarHBondContact O-SG 3.09Å; C267-M270 PolarHBondContact O-N 3.35Å; C267-L271 WeakPolarHBondContact O-CB 3.29Å; C267-L271 WeakPolarHBondContact O-CG 3.16Å; C267-L271 PolarHBondContact O-N 3.43Å |
| 268 | F | 96.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 38 Ų | 38 | 25% | 0.254 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 177.8 | 175.7 | -94.3 | 0 | 0 | 0 | 112.2 | V99 L103 R106 N266 L271 K272 | V99-F268 HydrophobicContact CG1-CD2 4.22Å; L103-F268 HydrophobicContact CD2-CD2 4.28Å; L103-F268 HydrophobicContact CD2-CE2 3.85Å; L103-F268 HydrophobicContact CG-CE2 4.49Å; R106-F268 VanDerWaalsContact NH2-CE1 3.26Å; R106-F268 VanDerWaalsContact NH2-CZ 3.32Å; N266-F268 VanDerWaalsContact C-N 3.31Å; N266-F268 PolarHBondContact O-N 2.71Å; N266-F268 WeakPolarHBondContact OD1-CB 3.39Å; N266-F268 PolarHBondContact OD1-N 2.77Å; N266-F268 VanDerWaalsContact OD1-N 3.16Å; F268-L271 PolarHBondContact O-N 3.13Å; F268-K272 HydrophobicContact CE1-CD 4.42Å; F268-K272 VanDerWaalsContact O-CB 3.24Å; F268-K272 WeakPolarHBondContact O-CB 3.48Å; F268-K272 PolarHBondContact O-N 2.95Å |
| 269 | S | 95.3 | Very high | 94.9 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.3 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | N266 L271 K272 H273 | N266-S269 PolarHBondContact ND2-OG 3.38Å; N266-S269 PolarHBondContact O-N 3.02Å; N266-S269 WeakPolarHBondContact OD1-CB 3.36Å; N266-S269 PolarHBondContact OD1-N 3.12Å; N266-S269 PolarHBondContact OD1-OG 3.36Å; S269-L271 PolarHBondContact O-N 3.26Å; S269-K272 PolarHBondContact O-N 3.41Å; S269-H273 PolarHBondContact O-N 3.46Å; S269-H273 PolarHBondContact O-ND1 2.87Å |
| 270 | M | 95.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 178 | -66.2 | 174.9 | 66.1 | 0 | 0 | 113.1 | L191 A194 L195 K198 L265 N266 C267 H273 L276 | L191-M270 HydrophobicContact CD1-SD 3.75Å; A194-M270 VanDerWaalsContact C-CE 3.43Å; A194-M270 HydrophobicContact CB-CB 4.49Å; A194-M270 HydrophobicContact CB-CE 3.47Å; A194-M270 VanDerWaalsContact CB-CE 3.47Å; A194-M270 HydrophobicContact CB-SD 3.77Å; L195-M270 HydrophobicContact CB-CE 4.31Å; L195-M270 HydrophobicContact CD2-CE 3.52Å; L195-M270 HydrophobicContact CD2-SD 4.44Å; L195-M270 HydrophobicContact CG-CE 3.72Å; K198-M270 WeakPolarHBondContact CE-O 3.23Å; K198-M270 HydrophobicContact CG-CE 4.32Å; L265-M270 HydrophobicContact CD1-CG 3.74Å; L265-M270 HydrophobicContact CD1-SD 4.15Å; L265-M270 HydrophobicContact CD2-SD 4.41Å; L265-M270 HydrophobicContact CG-CG 4.4Å; L265-M270 HydrophobicContact CG-SD 4.19Å; N266-M270 WeakPolarHBondContact O-CG 3.3Å; N266-M270 PolarHBondContact O-N 3.37Å; C267-M270 PolarHBondContact O-N 3.35Å; M270-H273 VanDerWaalsContact O-O 3.07Å; M270-L276 HydrophobicContact CB-CD1 4.39Å; M270-L276 HydrophobicContact CE-CD1 3.56Å; M270-L276 HydrophobicContact CG-CD1 3.73Å; M270-L276 HydrophobicContact SD-CD1 4.24Å |
| 271 | L | 94.7 | Very high | 94.9 | Very high | 83 Ų | 83 | 36.7 Ų | 36.7 | 44% | 0.435 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -78.6 | -23.3 | 179.3 | -69.4 | 172.9 | 0 | 0 | 0 | 113.3 | V99 C267 F268 S269 H273 | V99-L271 HydrophobicContact CG2-CD1 3.63Å; C267-L271 WeakPolarHBondContact O-CB 3.29Å; C267-L271 WeakPolarHBondContact O-CG 3.16Å; C267-L271 PolarHBondContact O-N 3.43Å; F268-L271 PolarHBondContact O-N 3.13Å; S269-L271 PolarHBondContact O-N 3.26Å; L271-H273 VanDerWaalsContact C-N 3.29Å |
| 272 | K | 95 | Very high | 94.9 | Very high | 118 Ų | 118 | 35 Ų | 35 | 51% | 0.513 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.8 | -32.6 | 175.4 | -178.6 | -171.9 | 172.5 | -151 | 0 | 111.6 | N258 F268 S269 | N258-K272 PolarHBondContact ND2-NZ 3.38Å; F268-K272 HydrophobicContact CE1-CD 4.42Å; F268-K272 VanDerWaalsContact O-CB 3.24Å; F268-K272 WeakPolarHBondContact O-CB 3.48Å; F268-K272 PolarHBondContact O-N 2.95Å; S269-K272 PolarHBondContact O-N 3.41Å |
| 273 | H | 96.4 | Very high | 95 | Very high | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | trans | -103.8 | 151.8 | -176.2 | -54.4 | 86.7 | 0 | 0 | 0 | 111.2 | K198 S233 V234 L235 N258 S269 M270 L271 | K198-H273 PolarHBondContact NZ-O 3.45Å; S233-H273 WeakPolarHBondContact OG-CA 3.42Å; V234-H273 PolarHBondContact O-CD2 3.24Å; L235-H273 HydrophobicContact CB-CB 3.97Å; N258-H273 PolarHBondContact ND2-NE2 2.87Å; S269-H273 PolarHBondContact O-N 3.46Å; S269-H273 PolarHBondContact O-ND1 2.87Å; M270-H273 VanDerWaalsContact O-O 3.07Å; L271-H273 VanDerWaalsContact C-N 3.29Å | ||
| 274 | Q | 94.7 | Very high | 95.1 | Very high | 82 Ų | 82 | 32 Ų | 32 | 38% | 0.383 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -79.2 | -53.2 | 175.7 | -72 | -180 | -40.5 | 0 | 0 | 109.6 | K198 D203 S233 | K198-Q274 PolarHBondContact NZ-O 3.03Å; D203-Q274 VanDerWaalsContact CB-O 3.29Å; D203-Q274 WeakPolarHBondContact CB-O 3.41Å; S233-Q274 PolarHBondContact O-N 3.27Å; S233-Q274 PolarHBondContact OG-N 2.87Å |
| 275 | T | 96.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142.8 | 179.3 | -62.9 | 0 | 0 | 0 | 0 | 112 | D203 V205 W230 S233 V234 L235 V277 | D203-T275 WeakPolarHBondContact O-CA 3.46Å; D203-T275 WeakPolarHBondContact O-CG2 3.41Å; V205-T275 HydrophobicContact CB-CG2 4.31Å; V205-T275 HydrophobicContact CG2-CG2 3.64Å; W230-T275 VanDerWaalsContact C-OG1 3.29Å; W230-T275 WeakPolarHBondContact CA-OG1 3.45Å; W230-T275 HydrophobicContact CB-CG2 3.98Å; W230-T275 HydrophobicContact CD2-CG2 4.46Å; W230-T275 HydrophobicContact CG-CG2 3.91Å; W230-T275 VanDerWaalsContact O-CB 3.3Å; W230-T275 WeakPolarHBondContact O-CB 3.31Å; W230-T275 PolarHBondContact O-OG1 3.24Å; S233-T275 PolarHBondContact O-N 2.98Å; V234-T275 WeakPolarHBondContact CA-O 3.3Å; L235-T275 PolarHBondContact N-O 3.2Å; T275-V277 HydrophobicContact CG2-CG2 4.03Å |
| 276 | L | 97 | Very high | 95.3 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 116.9 | 176.3 | -165.3 | 173.1 | 0 | 0 | 0 | 107.8 | L195 D203 L204 V205 V237 M270 L278 | L195-L276 HydrophobicContact CD2-CD1 4.45Å; D203-L276 PolarHBondContact O-N 2.71Å; L204-L276 HydrophobicContact CD1-CB 4.32Å; L204-L276 HydrophobicContact CD1-CD2 3.81Å; L204-L276 HydrophobicContact CD1-CG 4.47Å; V205-L276 PolarHBondContact N-O 3.43Å; V237-L276 HydrophobicContact CG2-CD2 4.2Å; M270-L276 HydrophobicContact CB-CD1 4.39Å; M270-L276 HydrophobicContact CE-CD1 3.56Å; M270-L276 HydrophobicContact CG-CD1 3.73Å; M270-L276 HydrophobicContact SD-CD1 4.24Å; L276-L278 HydrophobicContact CD2-CD1 3.86Å; L276-L278 HydrophobicContact CD2-CD2 3.28Å; L276-L278 HydrophobicContact CD2-CG 3.28Å |
| 277 | V | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.9 | -177.9 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | V205 V207 F210 W230 V234 L235 F236 V237 T275 | V205-V277 HydrophobicContact CB-CG2 4.29Å; V205-V277 HydrophobicContact CG1-CG1 4.48Å; V205-V277 WeakPolarHBondContact O-CA 3.21Å; V207-V277 HydrophobicContact CB-CG1 4.36Å; V207-V277 HydrophobicContact CG2-CG1 3.46Å; V207-V277 VanDerWaalsContact CG2-CG1 3.46Å; F210-V277 HydrophobicContact CE1-CG1 3.73Å; F210-V277 HydrophobicContact CZ-CG1 4.17Å; W230-V277 HydrophobicContact CE3-CG2 4.35Å; W230-V277 HydrophobicContact CH2-CG2 4.34Å; W230-V277 HydrophobicContact CZ2-CG2 4.5Å; W230-V277 HydrophobicContact CZ3-CG2 4.28Å; V234-V277 HydrophobicContact CG1-CG2 3.53Å; L235-V277 PolarHBondContact O-N 3.43Å; F236-V277 HydrophobicContact CD1-CB 3.65Å; F236-V277 HydrophobicContact CD1-CG1 3.96Å; F236-V277 HydrophobicContact CD1-CG2 4.09Å; F236-V277 HydrophobicContact CE1-CB 3.81Å; F236-V277 HydrophobicContact CE1-CG1 3.99Å; F236-V277 HydrophobicContact CE1-CG2 3.77Å; F236-V277 HydrophobicContact CZ-CG2 4.49Å; V237-V277 PolarHBondContact N-O 2.73Å; V237-V277 VanDerWaalsContact N-O 3.13Å; T275-V277 HydrophobicContact CG2-CG2 4.03Å |
| 278 | L | 96.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.6 | 179.2 | -59.5 | -177.8 | 0 | 0 | 0 | 111 | L204 V205 I206 V207 V237 L276 T282 V283 L286 | L204-L278 HydrophobicContact CD1-CD1 3.84Å; L204-L278 HydrophobicContact CD1-CG 4.1Å; V205-L278 PolarHBondContact O-N 3.23Å; I206-L278 CarbonylContact C-O 3.57Å; I206-L278 VanDerWaalsContact CA-O 3.31Å; I206-L278 WeakPolarHBondContact CA-O 3.42Å; V207-L278 PolarHBondContact N-O 2.81Å; V237-L278 HydrophobicContact CB-CD2 3.43Å; V237-L278 VanDerWaalsContact CB-CD2 3.43Å; V237-L278 HydrophobicContact CG1-CD2 4.22Å; V237-L278 HydrophobicContact CG2-CD2 3.66Å; L276-L278 HydrophobicContact CD2-CD1 3.86Å; L276-L278 HydrophobicContact CD2-CD2 3.28Å; L276-L278 HydrophobicContact CD2-CG 3.28Å; L278-T282 HydrophobicContact CD2-CG2 4.11Å; L278-V283 HydrophobicContact CB-CG2 3.45Å; L278-V283 VanDerWaalsContact CB-CG2 3.45Å; L278-V283 HydrophobicContact CD1-CG2 3.79Å; L278-V283 HydrophobicContact CG-CG2 4.24Å; L278-L286 HydrophobicContact CD1-CD1 4.13Å; L278-L286 HydrophobicContact CD2-CD1 4.3Å |
| 279 | P | 95.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 156.3 | 167.1 | 34.1 | -32.6 | 0 | 0 | 0 | 109.7 | V207 F210 V237 D281 T282 V283 | V207-P279 CarbonylContact O-C 3.48Å; V207-P279 WeakPolarHBondContact O-CA 3.36Å; F210-P279 HydrophobicContact CD2-CB 4.28Å; F210-P279 HydrophobicContact CD2-CG 3.86Å; F210-P279 HydrophobicContact CE2-CB 4.3Å; F210-P279 VanDerWaalsContact CE2-CD 3.41Å; F210-P279 HydrophobicContact CE2-CG 3.64Å; F210-P279 HydrophobicContact CZ-CG 4.13Å; V237-P279 WeakPolarHBondContact O-CD 3.29Å; P279-D281 VanDerWaalsContact C-N 3.27Å; P279-D281 PolarHBondContact O-N 3.07Å; P279-T282 WeakPolarHBondContact CD-OG1 3.1Å; P279-T282 WeakPolarHBondContact CG-OG1 3.16Å; P279-T282 WeakPolarHBondContact O-CB 3.49Å; P279-T282 PolarHBondContact O-N 3.12Å; P279-V283 PolarHBondContact O-N 3.49Å; P279-V283 VanDerWaalsContact O-N 3.11Å |
| 280 | L | 94.2 | Very high | 94.9 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 22% | 0.22 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -48.9 | -48.4 | -178.2 | -71.5 | 176.7 | 0 | 0 | 0 | 112.8 | V65 V79 I206 V207 D208 T282 V283 E284 | V65-L280 HydrophobicContact CG1-CD1 4.09Å; V65-L280 HydrophobicContact CG1-CD2 3.99Å; V65-L280 HydrophobicContact CG1-CG 4.05Å; V65-L280 HydrophobicContact CG2-CD2 3.81Å; V79-L280 HydrophobicContact CB-CD2 4.37Å; V79-L280 HydrophobicContact CG1-CD2 4.37Å; V79-L280 HydrophobicContact CG2-CD2 3.7Å; I206-L280 HydrophobicContact CG2-CD2 3.65Å; I206-L280 HydrophobicContact CG2-CG 4.39Å; V207-L280 PolarHBondContact O-N 3.29Å; D208-L280 PolarHBondContact O-N 3.31Å; L280-T282 PolarHBondContact O-N 2.77Å; L280-V283 WeakPolarHBondContact O-CB 3.28Å; L280-V283 PolarHBondContact O-N 3.03Å; L280-V283 VanDerWaalsContact O-N 3.07Å; L280-E284 PolarHBondContact O-N 3.25Å |
| 281 | D | 93.9 | Very high | 94.7 | Very high | 78 Ų | 78 | 42.7 Ų | 42.7 | 42% | 0.417 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57 | -36.4 | 179.6 | -69.5 | 3.1 | 0 | 0 | 0 | 113.4 | K239 P279 Y285 | K239-D281 HydrophobicContact CD-CB 4.16Å; P279-D281 VanDerWaalsContact C-N 3.27Å; P279-D281 PolarHBondContact O-N 3.07Å; D281-Y285 WeakPolarHBondContact O-CB 3.3Å; D281-Y285 PolarHBondContact O-N 3.18Å |
| 282 | T | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.4 | -37 | 179.8 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | V237 K239 A262 L278 P279 L280 E284 Y285 L286 | V237-T282 HydrophobicContact CB-CG2 4.36Å; V237-T282 HydrophobicContact CG1-CG2 3.98Å; V237-T282 PolarHBondContact O-OG1 3.37Å; K239-T282 WeakPolarHBondContact CB-OG1 3.45Å; K239-T282 PolarHBondContact N-OG1 3.12Å; A262-T282 HydrophobicContact CB-CG2 3.88Å; L278-T282 HydrophobicContact CD2-CG2 4.11Å; P279-T282 WeakPolarHBondContact CD-OG1 3.1Å; P279-T282 WeakPolarHBondContact CG-OG1 3.16Å; P279-T282 WeakPolarHBondContact O-CB 3.49Å; P279-T282 PolarHBondContact O-N 3.12Å; L280-T282 PolarHBondContact O-N 2.77Å; T282-E284 VanDerWaalsContact C-N 3.35Å; T282-Y285 PolarHBondContact O-N 3.11Å; T282-L286 HydrophobicContact CG2-CD1 3.86Å; T282-L286 HydrophobicContact CG2-CG 4.11Å; T282-L286 VanDerWaalsContact O-CB 3.32Å; T282-L286 WeakPolarHBondContact O-CB 3.12Å; T282-L286 VanDerWaalsContact O-CG 3.23Å; T282-L286 WeakPolarHBondContact O-CG 3.16Å; T282-L286 PolarHBondContact O-N 3.19Å |
| 283 | V | 95.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 175.4 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | L81 I206 L278 P279 L280 Q287 | L81-V283 HydrophobicContact CD2-CG1 3.57Å; I206-V283 HydrophobicContact CD1-CG1 4.49Å; I206-V283 HydrophobicContact CD1-CG2 4.2Å; I206-V283 HydrophobicContact CG1-CG2 4.31Å; I206-V283 HydrophobicContact CG2-CG2 4.26Å; L278-V283 HydrophobicContact CB-CG2 3.45Å; L278-V283 VanDerWaalsContact CB-CG2 3.45Å; L278-V283 HydrophobicContact CD1-CG2 3.79Å; L278-V283 HydrophobicContact CG-CG2 4.24Å; P279-V283 PolarHBondContact O-N 3.49Å; P279-V283 VanDerWaalsContact O-N 3.11Å; L280-V283 WeakPolarHBondContact O-CB 3.28Å; L280-V283 PolarHBondContact O-N 3.03Å; L280-V283 VanDerWaalsContact O-N 3.07Å; V283-Q287 WeakPolarHBondContact O-CB 3.31Å; V283-Q287 VanDerWaalsContact O-CG 3.23Å; V283-Q287 WeakPolarHBondContact O-CG 3.42Å; V283-Q287 PolarHBondContact O-N 3.36Å; V283-Q287 PolarHBondContact O-NE2 2.91Å; V283-Q287 VanDerWaalsContact O-NE2 3.16Å |
| 284 | E | 93.2 | Very high | 93.6 | Very high | 90 Ų | 90 | 41.9 Ų | 41.9 | 42% | 0.421 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.3 | -47.4 | 175.5 | -67.9 | -171.3 | 174.2 | 0 | 0 | 112.2 | L280 T282 L286 Q287 Q288 | L280-E284 PolarHBondContact O-N 3.25Å; T282-E284 VanDerWaalsContact C-N 3.35Å; E284-L286 PolarHBondContact O-N 3.15Å; E284-Q287 PolarHBondContact O-N 3.5Å; E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 3.12Å |
| 285 | Y | 94.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 25% | 0.251 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 178.5 | 175.4 | -100.8 | 0 | 0 | 0 | 112.4 | K239 A262 D281 T282 Q288 R289 | K239-Y285 HydrophobicContact CG-CD1 4.49Å; K239-Y285 HydrophobicContact CG-CD2 4.44Å; K239-Y285 HydrophobicContact CG-CG 4.12Å; A262-Y285 HydrophobicContact CB-CD1 3.75Å; A262-Y285 HydrophobicContact CB-CE1 3.82Å; D281-Y285 WeakPolarHBondContact O-CB 3.3Å; D281-Y285 PolarHBondContact O-N 3.18Å; T282-Y285 PolarHBondContact O-N 3.11Å; Y285-Q288 PolarHBondContact O-N 3.34Å; Y285-R289 HydrophobicContact CD1-CG 4.28Å; Y285-R289 HydrophobicContact CD2-CG 4.39Å; Y285-R289 HydrophobicContact CE1-CG 3.87Å; Y285-R289 HydrophobicContact CE2-CG 4.02Å; Y285-R289 WeakPolarHBondContact O-CB 3.26Å; Y285-R289 VanDerWaalsContact O-CG 3.24Å; Y285-R289 WeakPolarHBondContact O-CG 3.15Å; Y285-R289 PolarHBondContact O-N 2.96Å |
| 286 | L | 94.8 | Very high | 92.5 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | 178.2 | -73.2 | 175.4 | 0 | 0 | 0 | 111.5 | A262 L265 L278 T282 E284 R289 I290 | A262-L286 HydrophobicContact CB-CD2 4.13Å; A262-L286 HydrophobicContact CB-CG 4.49Å; L265-L286 HydrophobicContact CD2-CD1 3.58Å; L265-L286 HydrophobicContact CD2-CD2 4.08Å; L278-L286 HydrophobicContact CD1-CD1 4.13Å; L278-L286 HydrophobicContact CD2-CD1 4.3Å; T282-L286 HydrophobicContact CG2-CD1 3.86Å; T282-L286 HydrophobicContact CG2-CG 4.11Å; T282-L286 VanDerWaalsContact O-CB 3.32Å; T282-L286 WeakPolarHBondContact O-CB 3.12Å; T282-L286 VanDerWaalsContact O-CG 3.23Å; T282-L286 WeakPolarHBondContact O-CG 3.16Å; T282-L286 PolarHBondContact O-N 3.19Å; E284-L286 PolarHBondContact O-N 3.15Å; L286-R289 PolarHBondContact O-N 3.14Å; L286-I290 WeakPolarHBondContact O-CB 3.11Å; L286-I290 VanDerWaalsContact O-CG1 3.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.22Å; L286-I290 PolarHBondContact O-N 3.01Å |
| 287 | Q | 94.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 175.7 | -75.6 | 176.5 | 100.4 | 0 | 0 | 111.2 | H82 F86 V283 E284 R289 I290 L291 | H82-Q287 HydrophobicContact CB-CG 4.49Å; H82-Q287 VanDerWaalsContact CB-OE1 3.26Å; F86-Q287 HydrophobicContact CE2-CG 4Å; V283-Q287 WeakPolarHBondContact O-CB 3.31Å; V283-Q287 VanDerWaalsContact O-CG 3.23Å; V283-Q287 WeakPolarHBondContact O-CG 3.42Å; V283-Q287 PolarHBondContact O-N 3.36Å; V283-Q287 PolarHBondContact O-NE2 2.91Å; V283-Q287 VanDerWaalsContact O-NE2 3.16Å; E284-Q287 PolarHBondContact O-N 3.5Å; Q287-R289 VanDerWaalsContact C-N 3.35Å; Q287-R289 PolarHBondContact O-N 2.87Å; Q287-I290 PolarHBondContact O-N 3.02Å; Q287-L291 VanDerWaalsContact O-CB 3.3Å; Q287-L291 WeakPolarHBondContact O-CB 3.41Å; Q287-L291 WeakPolarHBondContact O-CG 3.21Å; Q287-L291 PolarHBondContact O-N 2.86Å |
| 288 | Q | 92.6 | Very high | 90 | Very high | 125 Ų | 125 | 61.5 Ų | 61.5 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.4 | -44.9 | 178 | -70.8 | 175.2 | 5.1 | 0 | 0 | 111.8 | E284 Y285 S292 | E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 3.12Å; Y285-Q288 PolarHBondContact O-N 3.34Å; Q288-S292 VanDerWaalsContact O-CB 3.28Å; Q288-S292 WeakPolarHBondContact O-CB 3.42Å; Q288-S292 PolarHBondContact O-N 2.94Å; Q288-S292 PolarHBondContact O-OG 2.91Å |
| 289 | R | 92.6 | Very high | 88.5 | Confident | 135 Ų | 135 | 65.9 Ų | 65.9 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -50 | 177.1 | -74.9 | -91.3 | 87.5 | 170 | 7.8 | 111.6 | Y285 L286 Q287 S292 Q293 | Y285-R289 HydrophobicContact CD1-CG 4.28Å; Y285-R289 HydrophobicContact CD2-CG 4.39Å; Y285-R289 HydrophobicContact CE1-CG 3.87Å; Y285-R289 HydrophobicContact CE2-CG 4.02Å; Y285-R289 WeakPolarHBondContact O-CB 3.26Å; Y285-R289 VanDerWaalsContact O-CG 3.24Å; Y285-R289 WeakPolarHBondContact O-CG 3.15Å; Y285-R289 PolarHBondContact O-N 2.96Å; L286-R289 PolarHBondContact O-N 3.14Å; Q287-R289 VanDerWaalsContact C-N 3.35Å; Q287-R289 PolarHBondContact O-N 2.87Å; R289-S292 PolarHBondContact O-N 2.83Å; R289-S292 PolarHBondContact O-OG 2.71Å; R289-Q293 PolarHBondContact O-N 3.29Å |
| 290 | I | 93.9 | Very high | 86.8 | Confident | 6 Ų | 6 | 70.3 Ų | 70.3 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.3 | -47 | -178.7 | -67.7 | 168.7 | 0 | 0 | 0 | 110.7 | V85 L191 C192 L195 L286 Q287 S292 Q293 L294 | V85-I290 HydrophobicContact CG1-CD1 3.82Å; V85-I290 HydrophobicContact CG1-CG2 4.49Å; V85-I290 HydrophobicContact CG2-CB 4.28Å; V85-I290 HydrophobicContact CG2-CG2 3.85Å; L191-I290 HydrophobicContact CD2-CD1 3.79Å; L191-I290 HydrophobicContact CD2-CG1 4.02Å; L191-I290 HydrophobicContact CG-CD1 4.3Å; C192-I290 VanDerWaalsContact SG-CG2 3.6Å; L195-I290 HydrophobicContact CD1-CD1 3.77Å; L286-I290 WeakPolarHBondContact O-CB 3.11Å; L286-I290 VanDerWaalsContact O-CG1 3.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.22Å; L286-I290 PolarHBondContact O-N 3.01Å; Q287-I290 PolarHBondContact O-N 3.02Å; I290-S292 VanDerWaalsContact C-N 3.31Å; I290-S292 PolarHBondContact O-N 3.48Å; I290-Q293 PolarHBondContact O-N 2.96Å; I290-Q293 VanDerWaalsContact O-N 3.07Å; I290-L294 HydrophobicContact CG2-CD1 3.9Å; I290-L294 HydrophobicContact CG2-CG 4.2Å; I290-L294 WeakPolarHBondContact O-CG 3.31Å; I290-L294 PolarHBondContact O-N 3.4Å |
| 291 | L | 91.6 | Very high | 85 | Confident | 22 Ų | 22 | 75.6 Ų | 75.6 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 178.5 | -68.2 | 170.1 | 0 | 0 | 0 | 112.2 | H82 D84 V85 Q287 Q293 L294 H295 | H82-L291 VanDerWaalsContact CD2-CD1 3.46Å; H82-L291 WeakPolarHBondContact CD2-CD1 3.43Å; H82-L291 VanDerWaalsContact CE1-CD2 3.49Å; H82-L291 WeakPolarHBondContact CE1-CD2 2.99Å; D84-L291 HydrophobicContact CB-CD2 4.48Å; V85-L291 HydrophobicContact CG2-CD2 4.33Å; V85-L291 HydrophobicContact CG2-CG 4.42Å; Q287-L291 VanDerWaalsContact O-CB 3.3Å; Q287-L291 WeakPolarHBondContact O-CB 3.41Å; Q287-L291 WeakPolarHBondContact O-CG 3.21Å; Q287-L291 PolarHBondContact O-N 2.86Å; L291-Q293 PolarHBondContact O-N 3.35Å; L291-L294 HydrophobicContact CD2-CD1 4.49Å; L291-L294 PolarHBondContact O-N 2.77Å; L291-H295 WeakPolarHBondContact O-CB 3.37Å; L291-H295 PolarHBondContact O-N 2.98Å |
| 292 | S | 89.1 | Confident | 83.1 | Confident | 55 Ų | 55 | 77.5 Ų | 77.5 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 175 | 76.7 | 0 | 0 | 0 | 0 | 112.4 | Q288 R289 I290 R296 | Q288-S292 VanDerWaalsContact O-CB 3.28Å; Q288-S292 WeakPolarHBondContact O-CB 3.42Å; Q288-S292 PolarHBondContact O-N 2.94Å; Q288-S292 PolarHBondContact O-OG 2.91Å; R289-S292 PolarHBondContact O-N 2.83Å; R289-S292 PolarHBondContact O-OG 2.71Å; I290-S292 VanDerWaalsContact C-N 3.31Å; I290-S292 PolarHBondContact O-N 3.48Å; S292-R296 PolarHBondContact O-N 2.86Å |
| 293 | Q | 88.6 | Confident | 81.1 | Confident | 60 Ų | 60 | 84.7 Ų | 84.7 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -81.3 | -37 | 177.3 | -62.6 | -57.7 | -30.9 | 0 | 0 | 112.5 | L188 R289 I290 L291 R296 | L188-Q293 HydrophobicContact CD1-CB 3.54Å; L188-Q293 HydrophobicContact CD2-CB 3.74Å; L188-Q293 HydrophobicContact CD2-CG 4.16Å; L188-Q293 HydrophobicContact CG-CB 4.29Å; R289-Q293 PolarHBondContact O-N 3.29Å; I290-Q293 PolarHBondContact O-N 2.96Å; I290-Q293 VanDerWaalsContact O-N 3.07Å; L291-Q293 PolarHBondContact O-N 3.35Å; Q293-R296 WeakPolarHBondContact O-CB 3.41Å; Q293-R296 PolarHBondContact O-N 3Å |
| 294 | L | 87 | Confident | 79 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 39% | 0.393 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.5 | -72.7 | 176 | 0 | 0 | 0 | 112 | D84 I290 L291 R296 | D84-L294 HydrophobicContact CB-CD1 4.48Å; I290-L294 HydrophobicContact CG2-CD1 3.9Å; I290-L294 HydrophobicContact CG2-CG 4.2Å; I290-L294 WeakPolarHBondContact O-CG 3.31Å; I290-L294 PolarHBondContact O-N 3.4Å; L291-L294 HydrophobicContact CD2-CD1 4.49Å; L291-L294 PolarHBondContact O-N 2.77Å; L294-R296 VanDerWaalsContact C-N 3.26Å; L294-R296 PolarHBondContact O-N 3.35Å |
| 295 | H | 85.7 | Confident | 77 | Confident | 87 Ų | 87 | 91.4 Ų | 91.4 | 40% | 0.403 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 10.6 | -179.5 | -62 | 156.1 | 0 | 0 | 0 | 113.9 | L291 K297 | L291-H295 WeakPolarHBondContact O-CB 3.37Å; L291-H295 PolarHBondContact O-N 2.98Å; H295-K297 PolarHBondContact O-N 3.1Å |
| 296 | R | 81.2 | Confident | 75.2 | Confident | 87 Ų | 87 | 97.3 Ų | 97.3 | 33% | 0.328 | 45% | 0.454 | S | S | . | . | trans | -67.2 | 127 | 178.5 | -171.8 | -177.7 | 173.4 | 149.4 | -0 | 110 | S292 Q293 L294 E298 M300 | S292-R296 PolarHBondContact O-N 2.86Å; Q293-R296 WeakPolarHBondContact O-CB 3.41Å; Q293-R296 PolarHBondContact O-N 3Å; L294-R296 VanDerWaalsContact C-N 3.26Å; L294-R296 PolarHBondContact O-N 3.35Å; R296-E298 VanDerWaalsContact C-N 3.31Å; R296-E298 WeakPolarHBondContact CD-O 3.06Å; R296-E298 VanDerWaalsContact CG-O 3.28Å; R296-E298 WeakPolarHBondContact CG-O 3.11Å; R296-E298 PolarHBondContact NE-O 3.42Å; R296-E298 PolarHBondContact O-N 2.58Å; R296-M300 PolarHBondContact NH1-SD 3.48Å; R296-M300 PolarHBondContact NH2-SD 3.11Å | ||
| 297 | K | 71 | Confident | 73.5 | Confident | 210 Ų | 210 | 103.2 Ų | 103.2 | 91% | 0.913 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -70 | -26.4 | -179.9 | -64.7 | -177.9 | -179.7 | 179 | 0 | 113.6 | H295 | H295-K297 PolarHBondContact O-N 3.1Š|
| 298 | E | 69.3 | Low | 71.9 | Confident | 118 Ų | 118 | 106.8 Ų | 106.8 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -129 | 148.1 | -167.7 | -56.5 | -172.2 | 155.6 | 0 | 0 | 112.7 | R296 | R296-E298 VanDerWaalsContact C-N 3.31Å; R296-E298 WeakPolarHBondContact CD-O 3.06Å; R296-E298 VanDerWaalsContact CG-O 3.28Å; R296-E298 WeakPolarHBondContact CG-O 3.11Å; R296-E298 PolarHBondContact NE-O 3.42Å; R296-E298 PolarHBondContact O-N 2.58Å |
| 299 | T | 64.9 | Low | 70.6 | Confident | 93 Ų | 93 | 103.8 Ų | 103.8 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | trans | -71.3 | 142.7 | 173.4 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | L301 K302 | T299-L301 PolarHBondContact O-N 3.26Å; T299-L301 VanDerWaalsContact O-N 3.11Å; T299-K302 PolarHBondContact O-N 2.96Å | ||
| 300 | M | 59.7 | Low | 69.5 | Low | 102 Ų | 102 | 103 Ų | 103 | 50% | 0.502 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -50.6 | -34.7 | 171.6 | -85.4 | -68.6 | -88.2 | 0 | 0 | 114.1 | R296 K302 K303 | R296-M300 PolarHBondContact NH1-SD 3.48Å; R296-M300 PolarHBondContact NH2-SD 3.11Å; M300-K302 PolarHBondContact O-N 3.07Å; M300-K302 VanDerWaalsContact O-N 3.12Å; M300-K303 PolarHBondContact O-N 3.47Å |
| 301 | L | 57.7 | Low | 68.3 | Low | 154 Ų | 154 | 108.4 Ų | 108.4 | 81% | 0.806 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -64.6 | -16.8 | -175 | -66.3 | 173.7 | 0 | 0 | 0 | 113.9 | T299 K303 | T299-L301 PolarHBondContact O-N 3.26Å; T299-L301 VanDerWaalsContact O-N 3.11Å; L301-K303 PolarHBondContact O-N 3.41Å |
| 302 | K | 54.2 | Low | 67.3 | Low | 117 Ų | 117 | 112 Ų | 112 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -70.1 | -16.2 | 176 | -98.5 | -171.2 | 176.6 | -175.1 | 0 | 113.9 | T299 M300 F304 V305 | T299-K302 PolarHBondContact O-N 2.96Å; M300-K302 PolarHBondContact O-N 3.07Å; M300-K302 VanDerWaalsContact O-N 3.12Å; K302-F304 PolarHBondContact O-N 2.76Å; K302-V305 WeakPolarHBondContact O-CG2 3.17Å; K302-V305 PolarHBondContact O-N 3.07Å |
| 303 | K | 52.5 | Low | 66.5 | Low | 152 Ų | 152 | 114.9 Ų | 114.9 | 66% | 0.661 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -63.3 | -3.1 | -177.4 | -123 | -175.1 | -179.4 | -167 | 0 | 114.7 | M300 L301 | M300-K303 PolarHBondContact O-N 3.47Å; L301-K303 PolarHBondContact O-N 3.41Å |
| 304 | F | 51.9 | Low | 65.9 | Low | 163 Ų | 163 | 117.5 Ų | 117.5 | 72% | 0.715 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -115.8 | 31.4 | 173.6 | -54.8 | -71 | 0 | 0 | 0 | 112.7 | K302 Y306 | K302-F304 PolarHBondContact O-N 2.76Å; F304-Y306 PolarHBondContact O-N 3.2Å |
| 305 | V | 50.9 | Low | 65.4 | Low | 70 Ų | 70 | 116.3 Ų | 116.3 | 42% | 0.424 | 56% | 0.555 | S | S | . | * | trans | -66.1 | 116.8 | 160.2 | 175.5 | 0 | 0 | 0 | 0 | 106.5 | K302 K307 D308 | K302-V305 WeakPolarHBondContact O-CG2 3.17Å; K302-V305 PolarHBondContact O-N 3.07Å; V305-K307 HydrophobicContact CG1-CB 3.99Å; V305-K307 PolarHBondContact O-N 3.33Å; V305-D308 PolarHBondContact O-N 2.98Å | ||
| 306 | Y | 56.9 | Low | 64.8 | Low | 188 Ų | 188 | 118.1 Ų | 118.1 | 74% | 0.737 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -46.4 | -29.9 | -177.9 | -177.6 | -93.8 | 0 | 0 | 0 | 113.9 | F304 K310 | F304-Y306 PolarHBondContact O-N 3.2Å; Y306-K310 WeakPolarHBondContact O-CB 3.44Å; Y306-K310 PolarHBondContact O-N 3.26Å |
| 307 | K | 57.7 | Low | 64 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 60% | 0.6 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.5 | -44.5 | 178.7 | -159.4 | -176 | 177.8 | -167.5 | 0 | 112.9 | V305 K310 E311 | V305-K307 HydrophobicContact CG1-CB 3.99Å; V305-K307 PolarHBondContact O-N 3.33Å; K307-K310 WeakPolarHBondContact O-CB 3.15Å; K307-K310 PolarHBondContact O-N 3.32Å; K307-E311 PolarHBondContact O-N 2.83Å; K307-E311 VanDerWaalsContact O-N 3.16Å |
| 308 | D | 60.2 | Low | 63.8 | Low | 86 Ų | 86 | 113.6 Ų | 113.6 | 46% | 0.46 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.6 | -38.8 | -178.7 | -57.3 | -6 | 0 | 0 | 0 | 110.2 | V305 K310 E311 L312 | V305-D308 PolarHBondContact O-N 2.98Å; D308-K310 VanDerWaalsContact C-N 3.28Å; D308-K310 PolarHBondContact O-N 2.9Å; D308-E311 PolarHBondContact O-N 3.32Å; D308-L312 PolarHBondContact O-N 3.06Å |
| 309 | N | 65.1 | Low | 63.5 | Low | 62 Ų | 62 | 115.3 Ų | 115.3 | 33% | 0.332 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.3 | -34.3 | 172.2 | -77.1 | 4.5 | 0 | 0 | 0 | 111.9 | L312 L313 | N309-L312 PolarHBondContact O-N 3.04Å; N309-L313 VanDerWaalsContact O-CB 3.24Å; N309-L313 WeakPolarHBondContact O-CB 3.1Å; N309-L313 WeakPolarHBondContact O-CD1 3.39Å; N309-L313 WeakPolarHBondContact O-CG 3.35Å; N309-L313 PolarHBondContact O-N 3.43Å |
| 310 | K | 70.1 | Confident | 63.3 | Low | 117 Ų | 117 | 116.7 Ų | 116.7 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.9 | -41.9 | 176.9 | -176.2 | -175.1 | 176.4 | -173.6 | 0 | 111 | Y306 K307 D308 L314 | Y306-K310 WeakPolarHBondContact O-CB 3.44Å; Y306-K310 PolarHBondContact O-N 3.26Å; K307-K310 WeakPolarHBondContact O-CB 3.15Å; K307-K310 PolarHBondContact O-N 3.32Å; D308-K310 VanDerWaalsContact C-N 3.28Å; D308-K310 PolarHBondContact O-N 2.9Å; K310-L314 HydrophobicContact CG-CD1 3.98Å; K310-L314 WeakPolarHBondContact O-CB 3.39Å; K310-L314 WeakPolarHBondContact O-CD1 3.24Å; K310-L314 WeakPolarHBondContact O-CG 3.15Å; K310-L314 PolarHBondContact O-N 2.83Å |
| 311 | E | 68.1 | Low | 63.1 | Low | 120 Ų | 120 | 120.2 Ų | 120.2 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.1 | -43.6 | 175.3 | -72.1 | 175.1 | -171.8 | 0 | 0 | 111.1 | K307 D308 L314 S315 | K307-E311 PolarHBondContact O-N 2.83Å; K307-E311 VanDerWaalsContact O-N 3.16Å; D308-E311 PolarHBondContact O-N 3.32Å; E311-L314 PolarHBondContact O-N 3.39Å; E311-S315 PolarHBondContact O-N 2.94Å; E311-S315 PolarHBondContact O-OG 2.94Å |
| 312 | L | 71.1 | Confident | 62.9 | Low | 98 Ų | 98 | 119.5 Ų | 119.5 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.7 | -45 | 177.3 | -146.3 | 160.4 | 0 | 0 | 0 | 112.1 | D308 N309 L314 S315 E316 | D308-L312 PolarHBondContact O-N 3.06Å; N309-L312 PolarHBondContact O-N 3.04Å; L312-L314 VanDerWaalsContact C-N 3.28Å; L312-L314 PolarHBondContact O-N 3.22Å; L312-S315 WeakPolarHBondContact CA-OG 3.33Å; L312-S315 PolarHBondContact O-N 3.01Å; L312-S315 PolarHBondContact O-OG 3.2Å; L312-E316 HydrophobicContact CD2-CG 4.22Å; L312-E316 PolarHBondContact O-N 2.95Å |
| 313 | L | 73 | Confident | 62.9 | Low | 116 Ų | 116 | 121.9 Ų | 121.9 | 61% | 0.607 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.5 | -30 | 174.7 | -75.1 | 167.3 | 0 | 0 | 0 | 113.1 | N309 | N309-L313 VanDerWaalsContact O-CB 3.24Å; N309-L313 WeakPolarHBondContact O-CB 3.1Å; N309-L313 WeakPolarHBondContact O-CD1 3.39Å; N309-L313 WeakPolarHBondContact O-CG 3.35Å; N309-L313 PolarHBondContact O-N 3.43Å |
| 314 | L | 75 | Confident | 62.9 | Low | 114 Ų | 114 | 123.4 Ų | 123.4 | 60% | 0.597 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75 | -35.5 | 174.7 | -77 | 165.9 | 0 | 0 | 0 | 111.2 | K310 E311 L312 | K310-L314 HydrophobicContact CG-CD1 3.98Å; K310-L314 WeakPolarHBondContact O-CB 3.39Å; K310-L314 WeakPolarHBondContact O-CD1 3.24Å; K310-L314 WeakPolarHBondContact O-CG 3.15Å; K310-L314 PolarHBondContact O-N 2.83Å; E311-L314 PolarHBondContact O-N 3.39Å; L312-L314 VanDerWaalsContact C-N 3.28Å; L312-L314 PolarHBondContact O-N 3.22Å |
| 315 | S | 76.6 | Confident | 62.9 | Low | 51 Ų | 51 | 121.4 Ų | 121.4 | 36% | 0.357 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -76.1 | -26.4 | 178.3 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | E311 L312 G317 E318 | E311-S315 PolarHBondContact O-N 2.94Å; E311-S315 PolarHBondContact O-OG 2.94Å; L312-S315 WeakPolarHBondContact CA-OG 3.33Å; L312-S315 PolarHBondContact O-N 3.01Å; L312-S315 PolarHBondContact O-OG 3.2Å; S315-G317 PolarHBondContact O-N 2.9Å; S315-E318 PolarHBondContact O-N 3.23Å |
| 316 | E | 73.2 | Confident | 62.7 | Low | 124 Ų | 124 | 123.3 Ų | 123.3 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -20.6 | -178.9 | -86.4 | 177.7 | 174.2 | 0 | 0 | 113.4 | L312 | L312-E316 HydrophobicContact CD2-CG 4.22Å; L312-E316 PolarHBondContact O-N 2.95Å |
| 317 | G | 65.9 | Low | 62.1 | Low | 50 Ų | 50 | 119.5 Ų | 119.5 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.5 | 5.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S315 | S315-G317 PolarHBondContact O-N 2.9Š|
| 318 | E | 66.4 | Low | 61.6 | Low | 152 Ų | 152 | 123 Ų | 123 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -29.2 | 176.4 | -90.2 | -179.1 | 162.7 | 0 | 0 | 112.4 | S315 | S315-E318 PolarHBondContact O-N 3.23Š|
| 319 | D | 62.8 | Low | 61 | Low | 155 Ų | 155 | 128.6 Ų | 128.6 | 83% | 0.829 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -87.7 | -11 | 178.2 | -68.7 | -31.6 | 0 | 0 | 0 | 113 | E321 | D319-E321 PolarHBondContact O-N 3.16Š|
| 320 | D | 60.3 | Low | 60.8 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 65% | 0.647 | 70% | 0.698 | S | S | * | * | trans | -79.2 | 58.1 | 174.7 | -68.1 | -31 | 0 | 0 | 0 | 110.3 | D322 | D320-D322 PolarHBondContact O-N 2.75Å; D320-D322 VanDerWaalsContact O-N 3.13Å | ||
| 321 | E | 54.7 | Low | 60.3 | Low | 177 Ų | 177 | 132.7 Ų | 132.7 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | trans | -76.3 | 28.6 | 164.6 | -75.6 | -166.5 | 166.2 | 0 | 0 | 112 | D319 D323 | D319-E321 PolarHBondContact O-N 3.16Å; E321-D323 PolarHBondContact O-N 3.24Å | ||
| 322 | D | 54.5 | Low | 59.8 | Low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | -85.7 | 96.5 | 172.5 | -78.5 | -25.1 | 0 | 0 | 0 | 109.1 | D320 F324 | D320-D322 PolarHBondContact O-N 2.75Å; D320-D322 VanDerWaalsContact O-N 3.13Å; D322-F324 PolarHBondContact O-N 3.13Å | ||
| 323 | D | 54.8 | Low | 59.2 | Low | 166 Ų | 166 | 135.5 Ų | 135.5 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -56.7 | 12 | 170.2 | -90.9 | -22.9 | 0 | 0 | 0 | 114.4 | E321 T325 | E321-D323 PolarHBondContact O-N 3.24Å; D323-T325 VanDerWaalsContact C-N 3.28Å; D323-T325 PolarHBondContact O-N 3.24Å; D323-T325 VanDerWaalsContact O-N 3.07Å | ||
| 324 | F | 52.2 | Low | 58.3 | Low | 184 Ų | 184 | 136.7 Ų | 136.7 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | -86.3 | 64 | 176.8 | -116.5 | -91 | 0 | 0 | 0 | 111.4 | D322 T326 | D322-F324 PolarHBondContact O-N 3.13Å; F324-T326 PolarHBondContact O-N 3.06Å | ||
| 325 | T | 52.3 | Low | 57.2 | Low | 122 Ų | 122 | 138.2 Ų | 138.2 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -65.7 | 109.3 | 160.4 | -54.5 | 0 | 0 | 0 | 0 | 107.5 | D323 | D323-T325 VanDerWaalsContact C-N 3.28Å; D323-T325 PolarHBondContact O-N 3.24Å; D323-T325 VanDerWaalsContact O-N 3.07Å | ||
| 326 | T | 45.3 | Very low | 55.8 | Low | 110 Ų | 110 | 144.4 Ų | 144.4 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -57 | 125.7 | 171.9 | 50.7 | 0 | 0 | 0 | 0 | 108.5 | F324 F328 | F324-T326 PolarHBondContact O-N 3.06Å; T326-F328 PolarHBondContact O-N 3.07Å | ||
| 327 | P | 45.1 | Very low | 54.5 | Low | 107 Ų | 107 | 146 Ų | 146 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -59.9 | 129.6 | 177.4 | 23.3 | -30.8 | 0 | 0 | 0 | 108.6 | V329 | P327-V329 PolarHBondContact O-N 3Š| ||
| 328 | F | 46.3 | Very low | 53.5 | Low | 212 Ų | 212 | 154 Ų | 154 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -54.9 | 110.4 | 165.3 | -85.1 | -91.4 | 0 | 0 | 0 | 107.5 | T326 | T326-F328 PolarHBondContact O-N 3.07Š| ||
| 329 | V | 47.7 | Very low | 52.4 | Low | 203 Ų | 203 | 154.2 Ų | 154.2 | 100% | 1.23 | 82% | 0.82 | S | S | * | * | trans | -98 | 0 | 161.2 | 179.4 | 0 | 0 | 0 | 0 | 108 | P327 | P327-V329 PolarHBondContact O-N 3Š|
Retrieved 329 of 329 residues in 156.1 ms
(Link to these results)