| 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 | 41.8 | Very low | 31.4 | Very low | 252 Ų | 252 | 160.8 Ų | 160.8 | 100% | 1.241 | 88% | 0.878 | S | S | * | * | 0 | 72.9 | 0 | -78.2 | -174.2 | -91.9 | 0 | 0 | 109.1 | |||||
| 2 | Q | 31.4 | Very low | 31.2 | Very low | 193 Ų | 193 | 158.1 Ų | 158.1 | 90% | 0.902 | 87% | 0.87 | S | S | * | * | trans | -94 | 167.9 | 168.5 | -77.7 | 174.7 | -17.1 | 0 | 0 | 108.7 | ||||
| 3 | A | 31.7 | Very low | 31.1 | Very low | 83 Ų | 83 | 154.7 Ų | 154.7 | 69% | 0.686 | 86% | 0.864 | S | S | * | * | trans | 85.8 | 122 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 4 | F | 30.1 | Very low | 30.9 | Very low | 207 Ų | 207 | 160.6 Ų | 160.6 | 91% | 0.908 | 87% | 0.867 | S | S | * | * | -140 | 103.3 | 53.4 | -98.8 | -107.1 | 0 | 0 | 0 | 112.7 | |||||
| 5 | L | 33.4 | Very low | 30.8 | Very low | 175 Ų | 175 | 158.4 Ų | 158.4 | 92% | 0.916 | 86% | 0.864 | S | S | * | * | trans | -112.7 | 104.9 | 161.1 | -103.4 | 162 | 0 | 0 | 0 | 106.8 | ||||
| 6 | K | 33.4 | Very low | 30.7 | Very low | 206 Ų | 206 | 160 Ų | 160 | 90% | 0.896 | 86% | 0.864 | S | S | * | * | trans | -159.7 | 124.7 | 159.2 | -71.7 | -169.7 | 179.2 | 174.5 | 0 | 104.5 | ||||
| 7 | G | 27.9 | Very low | 30.7 | Very low | 76 Ų | 76 | 162.8 Ų | 162.8 | 78% | 0.784 | 87% | 0.866 | S | S | * | * | cis | 135 | 111.1 | 22.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 8 | A | 29.5 | Very low | 30.6 | Very low | 98 Ų | 98 | 162.1 Ų | 162.1 | 81% | 0.81 | 86% | 0.862 | S | S | * | * | trans | -161.2 | 92.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | T | 28.7 | Very low | 30.5 | Very low | 139 Ų | 139 | 164.5 Ų | 164.5 | 85% | 0.853 | 87% | 0.865 | S | S | * | * | trans | -70 | 120.4 | 170 | -13 | 0 | 0 | 0 | 0 | 108.9 | Q11 | T9-Q11 PolarHBondContact O-N 3.02Š| ||
| 10 | I | 30.2 | Very low | 30.5 | Very low | 155 Ų | 155 | 163 Ų | 163 | 80% | 0.795 | 86% | 0.862 | S | S | * | * | trans | -78.6 | 106.5 | 172.4 | -65.4 | 171.1 | 0 | 0 | 0 | 107.9 | T12 | I10-T12 HydrophobicContact CG2-CG2 4.38Š| ||
| 11 | Q | 27.6 | Very low | 30.5 | Very low | 185 Ų | 185 | 161.5 Ų | 161.5 | 86% | 0.864 | 86% | 0.859 | S | S | * | * | trans | -81.6 | 113 | 167.8 | -72 | -179.6 | -12.7 | 0 | 0 | 109 | T9 | T9-Q11 PolarHBondContact O-N 3.02Š| ||
| 12 | T | 28.9 | Very low | 29.9 | Very low | 128 Ų | 128 | 154.5 Ų | 154.5 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | trans | -96.5 | 106.3 | 161.6 | 42.9 | 0 | 0 | 0 | 0 | 108.7 | I10 | I10-T12 HydrophobicContact CG2-CG2 4.38Š| ||
| 13 | S | 29.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 129.5 | 176.7 | 42.4 | 0 | 0 | 0 | 0 | 111 | ||
| 14 | R | 29.1 | Very low | 30.2 | Very low | 238 Ų | 238 | 150.5 Ų | 150.5 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 133.1 | 169.3 | -70.2 | 175.7 | 175.8 | 176 | -2 | 109.1 | Q16 | R14-Q16 PolarHBondContact O-N 2.79Š|
| 15 | P | 28.8 | Very low | 30.7 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.7 | 173.1 | 26.2 | -28.8 | 0 | 0 | 0 | 110.5 | K17 | P15-K17 PolarHBondContact O-N 3.07Š|
| 16 | Q | 29.2 | Very low | 30.7 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 127.5 | 170.8 | -81.8 | 167.1 | -46.9 | 0 | 0 | 109.8 | R14 | R14-Q16 PolarHBondContact O-N 2.79Š|
| 17 | K | 30.2 | Very low | 30.9 | Very low | 207 Ų | 207 | 140.3 Ų | 140.3 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 118.7 | 165.9 | -95.9 | -178.2 | 174 | 179.4 | 0 | 108.7 | P15 | P15-K17 PolarHBondContact O-N 3.07Š|
| 18 | D | 29.3 | Very low | 31.6 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 135.4 | 172.3 | -71 | -49.1 | 0 | 0 | 0 | 112 | V20 | D18-V20 PolarHBondContact O-N 3.39Å; D18-V20 VanDerWaalsContact O-N 3.14Å |
| 19 | K | 28.4 | Very low | 32.4 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -67.2 | 102.1 | 170.4 | -83.3 | 175.2 | 171.2 | 176.6 | 0 | 108.9 | ||||
| 20 | V | 30.8 | Very low | 33.6 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 123.9 | 161.3 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | D18 | D18-V20 PolarHBondContact O-N 3.39Å; D18-V20 VanDerWaalsContact O-N 3.14Å |
| 21 | T | 29.9 | Very low | 35 | Very low | 131 Ų | 131 | 151.2 Ų | 151.2 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 133.2 | 179 | 33.3 | 0 | 0 | 0 | 0 | 112.2 | G23 | T21-G23 PolarHBondContact O-N 3.45Š|
| 22 | A | 30.7 | Very low | 37.5 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 120.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 23 | G | 29.6 | Very low | 40.3 | Very low | 68 Ų | 68 | 144.3 Ų | 144.3 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 154.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T21 | T21-G23 PolarHBondContact O-N 3.45Š|
| 24 | P | 39.6 | Very low | 43.3 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -85.4 | 155.2 | -163.6 | 33.7 | -33.3 | 0 | 0 | 0 | 114.1 | ||
| 25 | S | 39.5 | Very low | 46.4 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 58.5 | 76 | 160 | 59.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 26 | G | 33.5 | Very low | 49.4 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -81.9 | 108.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | K28 | G26-K28 PolarHBondContact O-N 3.31Š| ||
| 27 | E | 37.4 | Very low | 52.2 | Low | 187 Ų | 187 | 122.7 Ų | 122.7 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | trans | -50.3 | 116 | 164.3 | -72.9 | -179.9 | 156.3 | 0 | 0 | 108.3 | K29 | E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.48Å | ||
| 28 | K | 43.3 | Very low | 55.1 | Low | 203 Ų | 203 | 117.8 Ų | 117.8 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | trans | -62 | 98.1 | 170.3 | -74.4 | 178.5 | 179 | 174.8 | 0 | 106.5 | G26 A30 | G26-K28 PolarHBondContact O-N 3.31Å; K28-A30 PolarHBondContact O-N 3.45Å | ||
| 29 | K | 46.1 | Very low | 58 | Low | 201 Ų | 201 | 112 Ų | 112 | 87% | 0.874 | 65% | 0.648 | S | S | * | * | trans | -47.7 | 109 | 167 | -83.4 | -174.2 | 176.4 | -179.4 | 0 | 106.8 | E27 K31 | E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.48Å; K29-K31 PolarHBondContact O-N 3.3Å | ||
| 30 | A | 54.1 | Low | 60.9 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 78% | 0.777 | 61% | 0.613 | S | S | * | * | trans | -54.6 | 127.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | K28 A32 | K28-A30 PolarHBondContact O-N 3.45Å; A30-A32 PolarHBondContact O-N 2.99Å | ||
| 31 | K | 60.7 | Low | 63.6 | Low | 199 Ų | 199 | 98.6 Ų | 98.6 | 87% | 0.865 | 58% | 0.58 | S | S | * | * | trans | -53.8 | 121 | 177.5 | -76.5 | -177 | 176.2 | -177.7 | 0 | 107.9 | K29 V33 | K29-K31 PolarHBondContact O-N 3.3Å; K31-V33 PolarHBondContact O-N 3.46Å | ||
| 32 | A | 78.9 | Confident | 66.2 | Low | 84 Ų | 84 | 98.9 Ų | 98.9 | 69% | 0.694 | 57% | 0.57 | S | S | * | * | trans | -62.3 | 111.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109 | A30 | A30-A32 PolarHBondContact O-N 2.99Š| ||
| 33 | V | 88.1 | Confident | 68.6 | Low | 83 Ų | 83 | 96.4 Ų | 96.4 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | trans | -72.6 | 133 | 179.7 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | K31 E37 | K31-V33 PolarHBondContact O-N 3.46Å; V33-E37 HydrophobicContact CG1-CB 3.66Å | ||
| 34 | P | 93 | Very high | 71 | Confident | 67 Ų | 67 | 93.2 Ų | 93.2 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | trans | -54.3 | 147.4 | 173.5 | -25.8 | 34.8 | 0 | 0 | 0 | 112 | V36 E37 K38 | P34-V36 PolarHBondContact O-N 3.45Å; P34-E37 PolarHBondContact O-N 2.82Å; P34-K38 PolarHBondContact O-N 3.28Å | ||
| 35 | W | 93 | Very high | 72.9 | Confident | 25 Ų | 25 | 92.7 Ų | 92.7 | 10% | 0.095 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.5 | -31.9 | -176.1 | -73.4 | -7.2 | 0 | 0 | 0 | 112.7 | E37 K38 Y39 I209 E213 L215 I237 L240 Q241 A244 | W35-E37 PolarHBondContact O-N 2.78Å; W35-K38 PolarHBondContact O-N 3.15Å; W35-Y39 HydrophobicContact CB-CD2 3.96Å; W35-Y39 HydrophobicContact CB-CE2 4.22Å; W35-Y39 HydrophobicContact CG-CD2 4.32Å; W35-Y39 HydrophobicContact CG-CE2 4.07Å; W35-Y39 WeakPolarHBondContact O-CB 3.37Å; W35-Y39 WeakPolarHBondContact O-CD2 3.09Å; W35-Y39 PolarHBondContact O-N 3.19Å; W35-I209 HydrophobicContact CE3-CG2 4.13Å; W35-I209 HydrophobicContact CZ3-CG2 4.47Å; W35-E213 HydrophobicContact CD2-CG 4.41Å; W35-E213 HydrophobicContact CH2-CB 4.21Å; W35-E213 HydrophobicContact CH2-CG 3.97Å; W35-E213 HydrophobicContact CZ2-CB 4.07Å; W35-E213 HydrophobicContact CZ2-CG 3.57Å; W35-E213 HydrophobicContact CZ3-CG 4.49Å; W35-E213 PolarHBondContact NE1-OE1 3.08Å; W35-L215 HydrophobicContact CH2-CD1 3.65Å; W35-L215 HydrophobicContact CH2-CD2 4.25Å; W35-L215 HydrophobicContact CH2-CG 4.42Å; W35-L215 HydrophobicContact CZ3-CD1 3.88Å; W35-I237 HydrophobicContact CB-CG2 3.67Å; W35-L240 HydrophobicContact CZ3-CD2 4.34Å; W35-L240 HydrophobicContact CZ3-CG 4.06Å; W35-Q241 HydrophobicContact CB-CB 4.34Å; W35-Q241 HydrophobicContact CB-CG 4.47Å; W35-Q241 HydrophobicContact CD2-CB 3.74Å; W35-Q241 HydrophobicContact CD2-CG 3.72Å; W35-Q241 VanDerWaalsContact CE3-CA 3.46Å; W35-Q241 HydrophobicContact CE3-CB 3.44Å; W35-Q241 VanDerWaalsContact CE3-CB 3.44Å; W35-Q241 HydrophobicContact CE3-CG 3.92Å; W35-Q241 HydrophobicContact CG-CB 4.16Å; W35-Q241 HydrophobicContact CG-CG 3.99Å; W35-Q241 VanDerWaalsContact CZ3-CA 3.41Å; W35-Q241 HydrophobicContact CZ3-CB 3.96Å; W35-Q241 HydrophobicContact CZ3-CG 4.41Å; W35-A244 HydrophobicContact CH2-CB 3.49Å; W35-A244 VanDerWaalsContact CH2-CB 3.49Å; W35-A244 HydrophobicContact CZ2-CB 4.42Å; W35-A244 HydrophobicContact CZ3-CB 4.08Å |
| 36 | V | 91.4 | Very high | 74.8 | Confident | 30 Ų | 30 | 91.3 Ų | 91.3 | 18% | 0.182 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -52.9 | -41.9 | 172.4 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | P34 R40 R234 I237 T238 | P34-V36 PolarHBondContact O-N 3.45Å; V36-R40 PolarHBondContact O-N 3.1Å; V36-R234 HydrophobicContact CG1-CG 3.85Å; V36-R234 HydrophobicContact CG2-CG 4.14Å; V36-I237 HydrophobicContact CG2-CB 4.3Å; V36-I237 HydrophobicContact CG2-CG2 3.96Å; V36-T238 WeakPolarHBondContact CG2-OG1 3.19Å |
| 37 | E | 89.1 | Confident | 76.9 | Confident | 87 Ų | 87 | 88.3 Ų | 88.3 | 41% | 0.407 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -85 | -37.5 | 178.3 | -65.3 | -52.1 | 137.5 | 0 | 0 | 112.5 | V33 P34 W35 Y39 R40 | V33-E37 HydrophobicContact CG1-CB 3.66Å; P34-E37 PolarHBondContact O-N 2.82Å; W35-E37 PolarHBondContact O-N 2.78Å; E37-Y39 VanDerWaalsContact C-N 3.31Å; E37-Y39 PolarHBondContact O-N 2.93Å; E37-R40 WeakPolarHBondContact O-CB 3.25Å; E37-R40 PolarHBondContact O-N 2.92Å; E37-R40 IonicContact OE1-CZ 3.65Å; E37-R40 IonicContact OE1-NE 2.67Å; E37-R40 IonicContact OE1-NH2 3.98Å; E37-R40 PolarHBondContact OE1-NH2 3.1Å; E37-R40 IonicContact OE2-CZ 2.55Å; E37-R40 IonicContact OE2-NE 3.55Å; E37-R40 PolarHBondContact OE2-NE 3.47Å; E37-R40 IonicContact OE2-NH2 2.63Å; E37-R40 PolarHBondContact OE2-NH2 3.32Å |
| 38 | K | 90.9 | Very high | 78.2 | Confident | 105 Ų | 105 | 80.7 Ų | 80.7 | 46% | 0.457 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 179.2 | -173.7 | -177.7 | 175.3 | -174.3 | 0 | 111.8 | P34 W35 E213 | P34-K38 PolarHBondContact O-N 3.28Å; W35-K38 PolarHBondContact O-N 3.15Å; K38-E213 IonicContact NZ-OE1 2.7Å; K38-E213 PolarHBondContact NZ-OE1 3.3Å; K38-E213 IonicContact NZ-OE2 3.3Å |
| 39 | Y | 90.2 | Very high | 79.3 | Confident | 27 Ų | 27 | 76.6 Ų | 76.6 | 11% | 0.106 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 11.5 | -178.9 | -65 | -69.6 | 0 | 0 | 0 | 113.6 | W35 E37 R205 I209 K212 E213 | W35-Y39 HydrophobicContact CB-CD2 3.96Å; W35-Y39 HydrophobicContact CB-CE2 4.22Å; W35-Y39 HydrophobicContact CG-CD2 4.32Å; W35-Y39 HydrophobicContact CG-CE2 4.07Å; W35-Y39 WeakPolarHBondContact O-CB 3.37Å; W35-Y39 WeakPolarHBondContact O-CD2 3.09Å; W35-Y39 PolarHBondContact O-N 3.19Å; E37-Y39 VanDerWaalsContact C-N 3.31Å; E37-Y39 PolarHBondContact O-N 2.93Å; Y39-R205 PolarHBondContact O-NH2 3.37Å; Y39-R205 VanDerWaalsContact O-NH2 3.12Å; Y39-I209 HydrophobicContact CD1-CG1 4.14Å; Y39-I209 HydrophobicContact CD2-CD1 4.17Å; Y39-I209 HydrophobicContact CD2-CG1 3.98Å; Y39-I209 HydrophobicContact CD2-CG2 4.07Å; Y39-I209 HydrophobicContact CE1-CG1 4.43Å; Y39-I209 HydrophobicContact CE2-CG1 4.28Å; Y39-I209 HydrophobicContact CE2-CG2 3.75Å; Y39-I209 HydrophobicContact CG-CD1 4.16Å; Y39-I209 HydrophobicContact CG-CG1 3.91Å; Y39-K212 HydrophobicContact CD1-CD 4.34Å; Y39-K212 HydrophobicContact CE1-CB 4.16Å; Y39-K212 HydrophobicContact CE1-CD 3.6Å; Y39-K212 WeakPolarHBondContact OH-CB 3.47Å; Y39-E213 HydrophobicContact CE2-CG 4.26Å; Y39-E213 WeakPolarHBondContact CE2-OE1 3.41Å; Y39-E213 VanDerWaalsContact CZ-OE1 3.32Å; Y39-E213 WeakPolarHBondContact OH-CG 3.35Å; Y39-E213 PolarHBondContact OH-OE1 3.44Å |
| 40 | R | 89.9 | Confident | 80.5 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -59 | 127.2 | 173.4 | -172.4 | -175.7 | -75.2 | -125.3 | 0.3 | 108.8 | V36 E37 K42 | V36-R40 PolarHBondContact O-N 3.1Å; E37-R40 WeakPolarHBondContact O-CB 3.25Å; E37-R40 PolarHBondContact O-N 2.92Å; E37-R40 IonicContact OE1-CZ 3.65Å; E37-R40 IonicContact OE1-NE 2.67Å; E37-R40 IonicContact OE1-NH2 3.98Å; E37-R40 PolarHBondContact OE1-NH2 3.1Å; E37-R40 IonicContact OE2-CZ 2.55Å; E37-R40 IonicContact OE2-NE 3.55Å; E37-R40 PolarHBondContact OE2-NE 3.47Å; E37-R40 IonicContact OE2-NH2 2.63Å; E37-R40 PolarHBondContact OE2-NH2 3.32Å; R40-K42 PolarHBondContact O-N 3.45Å |
| 41 | P | 86.8 | Confident | 81.4 | Confident | 19 Ų | 19 | 68 Ų | 68 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | trans | -48.9 | 132.4 | 177.2 | -30.8 | 36.1 | 0 | 0 | 0 | 112.4 | E46 V47 | P41-E46 WeakPolarHBondContact CA-OE2 3.32Å; P41-E46 HydrophobicContact CB-CB 3.89Å; P41-V47 HydrophobicContact CB-CG2 3.98Å; P41-V47 HydrophobicContact CG-CG2 4.35Å | ||
| 42 | K | 83.7 | Confident | 82.4 | Confident | 136 Ų | 136 | 65.4 Ų | 65.4 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -96.5 | -30.9 | 178.2 | -67.3 | -178.5 | -177.1 | 173.9 | 0 | 112.5 | R40 E46 | R40-K42 PolarHBondContact O-N 3.45Å; K42-E46 PolarHBondContact N-OE2 3.33Å |
| 43 | C | 82.7 | Confident | 82.5 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -119.4 | 157.7 | 178.6 | -59 | 0 | 0 | 0 | 0 | 110 | D45 E46 | C43-D45 PolarHBondContact O-N 3.32Å; C43-E46 HydrophobicContact CB-CG 4.44Å; C43-E46 PolarHBondContact O-N 2.89Å; C43-E46 VanDerWaalsContact O-N 3.11Å |
| 44 | V | 79.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -63.6 | -29.5 | -178.7 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | E46 V47 V54 K58 A85 A86 E89 | V44-E46 VanDerWaalsContact C-N 3.29Å; V44-E46 PolarHBondContact O-N 3.04Å; V44-V47 WeakPolarHBondContact O-CB 3.41Å; V44-V47 WeakPolarHBondContact O-CG2 3.4Å; V44-V47 PolarHBondContact O-N 3.12Å; V44-V54 HydrophobicContact CG1-CB 4.09Å; V44-V54 HydrophobicContact CG1-CG1 3.61Å; V44-V54 HydrophobicContact CG1-CG2 3.88Å; V44-K58 HydrophobicContact CG1-CG 4.44Å; V44-A85 HydrophobicContact CG2-CB 4.41Å; V44-A86 VanDerWaalsContact CG2-CA 3.5Å; V44-A86 HydrophobicContact CG2-CB 3.82Å; V44-E89 WeakPolarHBondContact CG2-OE2 3.34Å; V44-E89 PolarHBondContact N-OE2 3.16Å |
| 45 | D | 79.2 | Confident | 81.8 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -66.8 | -23.6 | 175.3 | -71.4 | -51.3 | 0 | 0 | 0 | 115 | C43 V47 K58 | C43-D45 PolarHBondContact O-N 3.32Å; D45-V47 PolarHBondContact O-N 3.4Å; D45-K58 WeakPolarHBondContact OD1-CE 3.48Å; D45-K58 IonicContact OD1-NZ 2.71Å; D45-K58 PolarHBondContact OD1-NZ 3.03Å; D45-K58 IonicContact OD2-NZ 2.76Å; D45-K58 PolarHBondContact OD2-NZ 3.44Å |
| 46 | E | 79.1 | Confident | 81.4 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -83.3 | -3.6 | 178.8 | -65.2 | 179.2 | -178.6 | 0 | 0 | 112.1 | P41 K42 C43 V44 A48 | P41-E46 WeakPolarHBondContact CA-OE2 3.32Å; P41-E46 HydrophobicContact CB-CB 3.89Å; K42-E46 PolarHBondContact N-OE2 3.33Å; C43-E46 HydrophobicContact CB-CG 4.44Å; C43-E46 PolarHBondContact O-N 2.89Å; C43-E46 VanDerWaalsContact O-N 3.11Å; V44-E46 VanDerWaalsContact C-N 3.29Å; V44-E46 PolarHBondContact O-N 3.04Å; E46-A48 PolarHBondContact O-N 3.4Å |
| 47 | V | 77.4 | Confident | 81.1 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -77.7 | 110.3 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | P41 V44 D45 F49 V54 T82 | P41-V47 HydrophobicContact CB-CG2 3.98Å; P41-V47 HydrophobicContact CG-CG2 4.35Å; V44-V47 WeakPolarHBondContact O-CB 3.41Å; V44-V47 WeakPolarHBondContact O-CG2 3.4Å; V44-V47 PolarHBondContact O-N 3.12Å; D45-V47 PolarHBondContact O-N 3.4Å; V47-F49 PolarHBondContact O-N 3.38Å; V47-V54 HydrophobicContact CB-CG2 4.29Å; V47-T82 WeakPolarHBondContact CG1-OG1 3.08Å; V47-T82 HydrophobicContact CG2-CG2 4.47Å |
| 48 | A | 64.9 | Low | 80.8 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 122.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E46 Q50 L197 I201 | E46-A48 PolarHBondContact O-N 3.4Å; A48-Q50 PolarHBondContact O-N 3.15Å; A48-L197 WeakPolarHBondContact O-CD2 3.37Å; A48-I201 HydrophobicContact CB-CG2 3.65Å |
| 49 | F | 67.4 | Low | 80.4 | Confident | 116 Ų | 116 | 59.2 Ų | 59.2 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 39.1 | 158.1 | -155.7 | -103.9 | 0 | 0 | 0 | 117.2 | V47 L197 I201 | V47-F49 PolarHBondContact O-N 3.38Å; F49-L197 HydrophobicContact CB-CD2 4.23Å; F49-I201 HydrophobicContact CB-CB 4.3Å; F49-I201 HydrophobicContact CB-CD1 3.67Å; F49-I201 HydrophobicContact CB-CG1 3.77Å; F49-I201 HydrophobicContact CB-CG2 3.85Å; F49-I201 HydrophobicContact CD1-CD1 3.32Å; F49-I201 HydrophobicContact CD1-CG1 4.32Å; F49-I201 HydrophobicContact CD2-CD1 3.3Å; F49-I201 HydrophobicContact CD2-CG1 3.58Å; F49-I201 HydrophobicContact CE1-CD1 3.61Å; F49-I201 HydrophobicContact CE2-CD1 3.6Å; F49-I201 HydrophobicContact CE2-CG1 4.16Å; F49-I201 HydrophobicContact CG-CD1 3.15Å; F49-I201 HydrophobicContact CG-CG1 3.67Å; F49-I201 HydrophobicContact CZ-CD1 3.73Å |
| 50 | Q | 70 | Confident | 79.8 | Confident | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | trans | -119.2 | 46.3 | 166.8 | -60.3 | -75.8 | -5.7 | 0 | 0 | 109.7 | A48 E52 V53 V54 F194 K195 | A48-Q50 PolarHBondContact O-N 3.15Å; Q50-E52 VanDerWaalsContact C-N 3.28Å; Q50-E52 PolarHBondContact O-N 3.37Å; Q50-V53 HydrophobicContact CB-CB 4.17Å; Q50-V53 HydrophobicContact CB-CG2 4.43Å; Q50-V53 WeakPolarHBondContact O-CA 3.4Å; Q50-V53 WeakPolarHBondContact O-CB 3.31Å; Q50-V53 PolarHBondContact O-N 3.2Å; Q50-V54 HydrophobicContact CB-CG2 4.47Å; Q50-V54 WeakPolarHBondContact O-CB 3.38Å; Q50-V54 WeakPolarHBondContact O-CG2 3.48Å; Q50-V54 PolarHBondContact O-N 3.12Å; Q50-F194 HydrophobicContact CG-CD1 3.81Å; Q50-F194 HydrophobicContact CG-CE1 4.04Å; Q50-K195 PolarHBondContact NE2-O 2.89Å; Q50-K195 VanDerWaalsContact NE2-O 3.09Å | ||
| 51 | D | 74.4 | Confident | 79.1 | Confident | 102 Ų | 102 | 58.2 Ų | 58.2 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.2 | -38.3 | -168.1 | -59.4 | -27.9 | 0 | 0 | 0 | 113.2 | T55 | D51-T55 WeakPolarHBondContact O-CB 3.25Å; D51-T55 PolarHBondContact O-N 3.09Å; D51-T55 PolarHBondContact O-OG1 2.84Å |
| 52 | E | 80.5 | Confident | 78.5 | Confident | 144 Ų | 144 | 65.1 Ų | 65.1 | 67% | 0.673 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.1 | -47.2 | 174.8 | -67.3 | 175.4 | -171.7 | 0 | 0 | 111.2 | Q50 V56 | Q50-E52 VanDerWaalsContact C-N 3.28Å; Q50-E52 PolarHBondContact O-N 3.37Å; E52-V56 VanDerWaalsContact O-CG2 3.25Å; E52-V56 WeakPolarHBondContact O-CG2 3.32Å; E52-V56 PolarHBondContact O-N 3.12Å; E52-V56 VanDerWaalsContact O-N 3.16Å |
| 53 | V | 82.5 | Confident | 77.6 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69 | -46.5 | -179.5 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | Q50 V56 L57 F192 F194 | Q50-V53 HydrophobicContact CB-CB 4.17Å; Q50-V53 HydrophobicContact CB-CG2 4.43Å; Q50-V53 WeakPolarHBondContact O-CA 3.4Å; Q50-V53 WeakPolarHBondContact O-CB 3.31Å; Q50-V53 PolarHBondContact O-N 3.2Å; V53-V56 PolarHBondContact O-N 3.17Å; V53-L57 HydrophobicContact CG1-CD1 3.68Å; V53-L57 HydrophobicContact CG1-CG 4.26Å; V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.15Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.43Å; V53-L57 PolarHBondContact O-N 3.34Å; V53-F192 HydrophobicContact CB-CD1 4.19Å; V53-F192 HydrophobicContact CG1-CB 4.07Å; V53-F192 HydrophobicContact CG1-CD1 3.69Å; V53-F192 HydrophobicContact CG1-CE1 4.46Å; V53-F192 HydrophobicContact CG1-CG 4.09Å; V53-F192 HydrophobicContact CG2-CB 4.28Å; V53-F192 HydrophobicContact CG2-CD1 4.13Å; V53-F194 HydrophobicContact CG1-CE1 4.48Å; V53-F194 HydrophobicContact CG1-CE2 4.13Å; V53-F194 HydrophobicContact CG1-CZ 3.79Å |
| 54 | V | 82.8 | Confident | 76.6 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 179.1 | 164.8 | 0 | 0 | 0 | 0 | 110.9 | V44 V47 Q50 V56 L57 K58 | V44-V54 HydrophobicContact CG1-CB 4.09Å; V44-V54 HydrophobicContact CG1-CG1 3.61Å; V44-V54 HydrophobicContact CG1-CG2 3.88Å; V47-V54 HydrophobicContact CB-CG2 4.29Å; Q50-V54 HydrophobicContact CB-CG2 4.47Å; Q50-V54 WeakPolarHBondContact O-CB 3.38Å; Q50-V54 WeakPolarHBondContact O-CG2 3.48Å; Q50-V54 PolarHBondContact O-N 3.12Å; V54-V56 PolarHBondContact O-N 3.1Å; V54-L57 PolarHBondContact O-N 3.34Å; V54-K58 HydrophobicContact CG1-CD 4.14Å; V54-K58 HydrophobicContact CG1-CG 4.44Å; V54-K58 WeakPolarHBondContact O-CB 3.16Å; V54-K58 VanDerWaalsContact O-CG 3.31Å; V54-K58 WeakPolarHBondContact O-CG 3.47Å; V54-K58 PolarHBondContact O-N 3.41Å |
| 55 | T | 83.8 | Confident | 76.3 | Confident | 68 Ų | 68 | 67.2 Ų | 67.2 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 179.9 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | D51 K59 | D51-T55 WeakPolarHBondContact O-CB 3.25Å; D51-T55 PolarHBondContact O-N 3.09Å; D51-T55 PolarHBondContact O-OG1 2.84Å; T55-K59 WeakPolarHBondContact O-CG 3.45Å; T55-K59 PolarHBondContact O-N 3.41Å; T55-K59 VanDerWaalsContact O-N 3.08Å |
| 56 | V | 84.3 | Confident | 76.5 | Confident | 67 Ų | 67 | 62 Ų | 62 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 178.7 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | E52 V53 V54 K59 S60 F192 | E52-V56 VanDerWaalsContact O-CG2 3.25Å; E52-V56 WeakPolarHBondContact O-CG2 3.32Å; E52-V56 PolarHBondContact O-N 3.12Å; E52-V56 VanDerWaalsContact O-N 3.16Å; V53-V56 PolarHBondContact O-N 3.17Å; V54-V56 PolarHBondContact O-N 3.1Å; V56-K59 PolarHBondContact O-N 3.41Å; V56-S60 WeakPolarHBondContact O-CB 3.42Å; V56-S60 PolarHBondContact O-N 2.89Å; V56-S60 PolarHBondContact O-OG 3.41Å; V56-F192 HydrophobicContact CB-CE1 3.92Å; V56-F192 HydrophobicContact CG1-CE1 3.61Å; V56-F192 HydrophobicContact CG1-CZ 3.78Å |
| 57 | L | 83.4 | Confident | 77 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 175 | -76.6 | 171.9 | 0 | 0 | 0 | 111.2 | V53 V54 K59 S60 L61 L69 F71 T82 F192 | V53-L57 HydrophobicContact CG1-CD1 3.68Å; V53-L57 HydrophobicContact CG1-CG 4.26Å; V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.15Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.43Å; V53-L57 PolarHBondContact O-N 3.34Å; V54-L57 PolarHBondContact O-N 3.34Å; L57-K59 PolarHBondContact O-N 3.23Å; L57-S60 CarbonylContact O-C 3.58Å; L57-S60 WeakPolarHBondContact O-CA 3.37Å; L57-S60 WeakPolarHBondContact O-CB 3.44Å; L57-S60 PolarHBondContact O-N 2.83Å; L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 WeakPolarHBondContact O-CG 3.43Å; L57-L61 PolarHBondContact O-N 2.95Å; L57-L69 HydrophobicContact CD2-CD1 3.84Å; L57-L69 HydrophobicContact CD2-CD2 4.18Å; L57-F71 HydrophobicContact CD1-CE1 4.41Å; L57-F71 HydrophobicContact CD1-CZ 3.71Å; L57-F71 HydrophobicContact CD2-CE1 4.33Å; L57-F71 HydrophobicContact CD2-CZ 4.01Å; L57-F71 HydrophobicContact CG-CZ 4.45Å; L57-T82 HydrophobicContact CD1-CG2 3.6Å; L57-F192 HydrophobicContact CD2-CZ 4.45Å |
| 58 | K | 82.8 | Confident | 77.7 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 22% | 0.222 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.4 | -49.5 | 176.2 | -79.5 | -175.4 | 163.2 | -157.4 | 0 | 112.3 | V44 D45 V54 S60 L61 E62 | V44-K58 HydrophobicContact CG1-CG 4.44Å; D45-K58 WeakPolarHBondContact OD1-CE 3.48Å; D45-K58 IonicContact OD1-NZ 2.71Å; D45-K58 PolarHBondContact OD1-NZ 3.03Å; D45-K58 IonicContact OD2-NZ 2.76Å; D45-K58 PolarHBondContact OD2-NZ 3.44Å; V54-K58 HydrophobicContact CG1-CD 4.14Å; V54-K58 HydrophobicContact CG1-CG 4.44Å; V54-K58 WeakPolarHBondContact O-CB 3.16Å; V54-K58 VanDerWaalsContact O-CG 3.31Å; V54-K58 WeakPolarHBondContact O-CG 3.47Å; V54-K58 PolarHBondContact O-N 3.41Å; K58-S60 VanDerWaalsContact C-N 3.25Å; K58-S60 PolarHBondContact O-N 2.84Å; K58-L61 PolarHBondContact O-N 3.04Å; K58-L61 VanDerWaalsContact O-N 3.08Å; K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.48Å |
| 59 | K | 82.9 | Confident | 79.2 | Confident | 143 Ų | 143 | 59.3 Ų | 59.3 | 62% | 0.622 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.7 | -37.1 | 174.7 | -71.7 | 179.2 | -180 | -178.2 | 0 | 112.5 | T55 V56 L57 L61 G63 | T55-K59 WeakPolarHBondContact O-CG 3.45Å; T55-K59 PolarHBondContact O-N 3.41Å; T55-K59 VanDerWaalsContact O-N 3.08Å; V56-K59 PolarHBondContact O-N 3.41Å; L57-K59 PolarHBondContact O-N 3.23Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-G63 PolarHBondContact O-N 3.48Å |
| 60 | S | 78.5 | Confident | 80.5 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.9 | -22.4 | 178.2 | -54 | 0 | 0 | 0 | 0 | 113.2 | V56 L57 K58 | V56-S60 WeakPolarHBondContact O-CB 3.42Å; V56-S60 PolarHBondContact O-N 2.89Å; V56-S60 PolarHBondContact O-OG 3.41Å; L57-S60 CarbonylContact O-C 3.58Å; L57-S60 WeakPolarHBondContact O-CA 3.37Å; L57-S60 WeakPolarHBondContact O-CB 3.44Å; L57-S60 PolarHBondContact O-N 2.83Å; K58-S60 VanDerWaalsContact C-N 3.25Å; K58-S60 PolarHBondContact O-N 2.84Å |
| 61 | L | 74.8 | Confident | 81.7 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -84.6 | -35.8 | 175.2 | -69.3 | 166 | 0 | 0 | 0 | 111.7 | L57 K58 K59 G63 L66 A86 L90 | L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 WeakPolarHBondContact O-CG 3.43Å; L57-L61 PolarHBondContact O-N 2.95Å; K58-L61 PolarHBondContact O-N 3.04Å; K58-L61 VanDerWaalsContact O-N 3.08Å; K59-L61 VanDerWaalsContact C-N 3.33Å; L61-G63 VanDerWaalsContact C-N 3.34Å; L61-L66 HydrophobicContact CD2-CD2 4.5Å; L61-A86 HydrophobicContact CD1-CB 3.91Å; L61-L90 HydrophobicContact CB-CD1 4.46Å; L61-L90 HydrophobicContact CD2-CB 4.24Å; L61-L90 HydrophobicContact CD2-CD1 3.87Å; L61-L90 HydrophobicContact CD2-CD2 3.86Å; L61-L90 HydrophobicContact CD2-CG 4.21Å |
| 62 | E | 74.6 | Confident | 82.7 | Confident | 164 Ų | 164 | 50.8 Ų | 50.8 | 77% | 0.766 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.8 | -36.7 | 171.2 | -71.3 | 171.8 | -172.7 | 0 | 0 | 111.2 | K58 | K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.48Å |
| 63 | G | 65.1 | Low | 83.3 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 37% | 0.371 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -71.2 | 143 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112 | K59 L61 D65 | K59-G63 PolarHBondContact O-N 3.48Å; L61-G63 VanDerWaalsContact C-N 3.34Å; G63-D65 PolarHBondContact O-N 3.34Å |
| 64 | A | 60.2 | Low | 83.7 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -70.8 | 3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 65 | D | 73.8 | Confident | 84.1 | Confident | 112 Ų | 112 | 48.9 Ų | 48.9 | 60% | 0.599 | 28% | 0.281 | S | S | * | . | trans | -127.1 | 86.2 | -173.9 | -164.4 | 16.2 | 0 | 0 | 0 | 112.4 | G63 P67 R170 | G63-D65 PolarHBondContact O-N 3.34Å; D65-P67 WeakPolarHBondContact O-CD 3.11Å; D65-R170 IonicContact OD1-CZ 3.2Å; D65-R170 VanDerWaalsContact OD1-CZ 3.29Å; D65-R170 IonicContact OD1-NH1 3.03Å; D65-R170 PolarHBondContact OD1-NH1 3.48Å; D65-R170 IonicContact OD1-NH2 3.58Å; D65-R170 PolarHBondContact OD1-NH2 3.4Å | ||
| 66 | L | 83.3 | Confident | 84.3 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | trans | -90.4 | 104.6 | 176 | 179.6 | 71 | 0 | 0 | 0 | 110.4 | L61 L69 F139 I141 R170 | L61-L66 HydrophobicContact CD2-CD2 4.5Å; L66-L69 HydrophobicContact CD1-CD1 4.28Å; L66-L69 HydrophobicContact CD1-CD2 4.28Å; L66-F139 HydrophobicContact CB-CE1 4.27Å; L66-F139 HydrophobicContact CB-CE2 4.23Å; L66-F139 HydrophobicContact CB-CZ 3.65Å; L66-F139 HydrophobicContact CD2-CE2 3.87Å; L66-F139 HydrophobicContact CD2-CZ 4.03Å; L66-I141 HydrophobicContact CD2-CD1 4.03Å; L66-R170 WeakPolarHBondContact O-CD 3.12Å; L66-R170 VanDerWaalsContact O-CG 3.26Å; L66-R170 WeakPolarHBondContact O-CG 3.29Å; L66-R170 PolarHBondContact O-NE 3.36Å; L66-R170 PolarHBondContact O-NH1 3.29Å | ||
| 67 | P | 89.9 | Confident | 84.6 | Confident | 40 Ų | 40 | 43.2 Ų | 43.2 | 26% | 0.26 | 25% | 0.248 | S | C | . | . | trans | -60.8 | 167.9 | 179.9 | 28.1 | -36.5 | 0 | 0 | 0 | 112.1 | D65 L69 S190 | D65-P67 WeakPolarHBondContact O-CD 3.11Å; P67-L69 HydrophobicContact CG-CD2 4.4Å; P67-L69 PolarHBondContact O-N 3.26Å; P67-S190 VanDerWaalsContact CG-OG 3.27Å; P67-S190 WeakPolarHBondContact CG-OG 3.46Å | ||
| 68 | N | 93 | Very high | 84.9 | Confident | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | trans | -61.4 | 141 | 166.2 | -60.1 | -46.3 | 0 | 0 | 0 | 108.9 | M162 F171 R188 C189 S190 | N68-M162 HydrophobicContact CB-CE 4.07Å; N68-F171 CarbonylContact C-O 3.51Å; N68-F171 VanDerWaalsContact CA-O 3.28Å; N68-F171 WeakPolarHBondContact CA-O 3.3Å; N68-F171 HydrophobicContact CB-CB 4.46Å; N68-F171 PolarHBondContact OD1-N 2.93Å; N68-R188 WeakPolarHBondContact CB-O 3.23Å; N68-R188 PolarHBondContact ND2-O 3.13Å; N68-C189 HydrophobicContact CB-CB 4.38Å; N68-C189 CarbonylContact O-C 3.48Å; N68-C189 VanDerWaalsContact O-CA 3.26Å; N68-C189 WeakPolarHBondContact O-CA 3.42Å; N68-S190 PolarHBondContact O-N 3.45Å | ||
| 69 | L | 94.4 | Very high | 85.3 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 143.6 | -173.1 | -53 | 173.5 | 0 | 0 | 0 | 109.9 | L57 L66 P67 F71 I83 F171 C172 L173 F192 | L57-L69 HydrophobicContact CD2-CD1 3.84Å; L57-L69 HydrophobicContact CD2-CD2 4.18Å; L66-L69 HydrophobicContact CD1-CD1 4.28Å; L66-L69 HydrophobicContact CD1-CD2 4.28Å; P67-L69 HydrophobicContact CG-CD2 4.4Å; P67-L69 PolarHBondContact O-N 3.26Å; L69-F71 HydrophobicContact CB-CD1 4.28Å; L69-F71 HydrophobicContact CB-CE1 3.87Å; L69-F71 HydrophobicContact CD1-CE1 4.11Å; L69-F71 HydrophobicContact CD1-CZ 4.05Å; L69-F71 HydrophobicContact CG-CE1 4.44Å; L69-I83 HydrophobicContact CD1-CD1 3.92Å; L69-F171 PolarHBondContact N-O 2.97Å; L69-C172 HydrophobicContact CB-CB 4.26Å; L69-C172 WeakPolarHBondContact O-CA 3.13Å; L69-L173 PolarHBondContact O-N 3.06Å; L69-F192 HydrophobicContact CD2-CD2 4.3Å; L69-F192 HydrophobicContact CD2-CE2 3.54Å; L69-F192 HydrophobicContact CD2-CZ 4.31Å |
| 70 | L | 95.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 107.7 | 170.7 | 174.3 | 61.3 | 0 | 0 | 0 | 109 | L173 I178 T186 C189 S190 K191 F192 | L70-L173 CarbonylContact C-O 3.47Å; L70-L173 WeakPolarHBondContact CA-O 3.45Å; L70-L173 HydrophobicContact CD1-CB 3.66Å; L70-I178 HydrophobicContact CD2-CD1 4.01Å; L70-I178 HydrophobicContact CD2-CG1 4.18Å; L70-T186 HydrophobicContact CD2-CG2 3.77Å; L70-C189 HydrophobicContact CB-CB 3.65Å; L70-S190 PolarHBondContact N-O 2.95Å; L70-K191 HydrophobicContact CD2-CG 4.13Å; L70-F192 PolarHBondContact O-N 2.94Å |
| 71 | F | 95.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.8 | 178.9 | -67.9 | -0.3 | 0 | 0 | 0 | 109.1 | L57 L69 K79 T82 I83 L173 I174 C175 F192 F194 | L57-F71 HydrophobicContact CD1-CE1 4.41Å; L57-F71 HydrophobicContact CD1-CZ 3.71Å; L57-F71 HydrophobicContact CD2-CE1 4.33Å; L57-F71 HydrophobicContact CD2-CZ 4.01Å; L57-F71 HydrophobicContact CG-CZ 4.45Å; L69-F71 HydrophobicContact CB-CD1 4.28Å; L69-F71 HydrophobicContact CB-CE1 3.87Å; L69-F71 HydrophobicContact CD1-CE1 4.11Å; L69-F71 HydrophobicContact CD1-CZ 4.05Å; L69-F71 HydrophobicContact CG-CE1 4.44Å; F71-K79 HydrophobicContact CB-CB 4.38Å; F71-T82 HydrophobicContact CE2-CG2 4.39Å; F71-I83 HydrophobicContact CD2-CB 4.42Å; F71-I83 HydrophobicContact CE2-CB 3.76Å; F71-I83 HydrophobicContact CE2-CG2 4.47Å; F71-L173 PolarHBondContact N-O 3.31Å; F71-I174 HydrophobicContact CB-CG1 4.34Å; F71-I174 WeakPolarHBondContact O-CA 3.22Å; F71-C175 PolarHBondContact O-N 2.89Å; F71-F192 HydrophobicContact CD1-CB 3.71Å; F71-F192 AromaticContact CD1-CD2 3.87Å; F71-F192 HydrophobicContact CD1-CD2 3.87Å; F71-F192 HydrophobicContact CD1-CG 4.1Å; F71-F192 HydrophobicContact CE1-CB 3.97Å; F71-F192 AromaticContact CE1-CD2 3.57Å; F71-F192 HydrophobicContact CE1-CD2 3.57Å; F71-F192 HydrophobicContact CE1-CE2 4.31Å; F71-F192 AromaticContact CE1-CG 3.89Å; F71-F192 HydrophobicContact CE1-CG 3.89Å; F71-F194 HydrophobicContact CB-CD2 4.1Å; F71-F194 HydrophobicContact CB-CE2 3.63Å; F71-F194 AromaticContact CD1-CE2 3.85Å; F71-F194 HydrophobicContact CD1-CE2 3.85Å; F71-F194 AromaticContact CD2-CE2 3.7Å; F71-F194 HydrophobicContact CD2-CE2 3.7Å; F71-F194 AromaticContact CD2-CZ 3.79Å; F71-F194 HydrophobicContact CD2-CZ 3.79Å; F71-F194 HydrophobicContact CE1-CE2 4.41Å; F71-F194 HydrophobicContact CE2-CE2 4.27Å; F71-F194 HydrophobicContact CE2-CZ 4.03Å; F71-F194 HydrophobicContact CG-CD2 4.4Å; F71-F194 AromaticContact CG-CE2 3.46Å; F71-F194 HydrophobicContact CG-CE2 3.46Å; F71-F194 VanDerWaalsContact CG-CE2 3.46Å; F71-F194 HydrophobicContact CG-CZ 4.05Å |
| 72 | Y | 94.9 | Very high | 87.1 | Confident | 52 Ų | 52 | 34.7 Ų | 34.7 | 20% | 0.204 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.4 | -179.5 | 72.5 | -79.6 | 0 | 0 | 0 | 112.4 | C175 I178 K191 F192 R193 F194 | Y72-C175 VanDerWaalsContact CA-O 3.28Å; Y72-C175 WeakPolarHBondContact CA-O 3.35Å; Y72-I178 HydrophobicContact CD1-CD1 4.24Å; Y72-I178 HydrophobicContact CD2-CB 4.15Å; Y72-I178 HydrophobicContact CD2-CG2 4.38Å; Y72-I178 HydrophobicContact CE1-CD1 4.19Å; Y72-I178 HydrophobicContact CE2-CG2 4.46Å; Y72-I178 HydrophobicContact CG-CB 4.23Å; Y72-K191 HydrophobicContact CE1-CB 4.16Å; Y72-F192 VanDerWaalsContact CD1-O 3.25Å; Y72-F192 WeakPolarHBondContact CD1-O 3.46Å; Y72-F192 PolarHBondContact N-O 2.94Å; Y72-R193 HydrophobicContact CD2-CG 4.44Å; Y72-R193 HydrophobicContact CE1-CB 3.92Å; Y72-R193 HydrophobicContact CE2-CB 4.02Å; Y72-R193 HydrophobicContact CE2-CG 3.75Å; Y72-R193 WeakPolarHBondContact O-CA 3.43Å; Y72-F194 PolarHBondContact O-N 3.3Å |
| 73 | G | 93.3 | Very high | 87.9 | Confident | 7 Ų | 7 | 27 Ų | 27 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 152.7 | 179.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K79 C175 N176 F194 | G73-K79 PolarHBondContact O-NZ 3.03Å; G73-C175 PolarHBondContact N-O 3.14Å; G73-N176 WeakPolarHBondContact O-CA 3.18Å; G73-N176 PolarHBondContact O-OD1 3.24Å; G73-F194 WeakPolarHBondContact CA-O 3.42Å |
| 74 | P | 92.1 | Very high | 89.1 | Confident | 54 Ų | 54 | 25.4 Ų | 25.4 | 35% | 0.351 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -58.1 | 158.8 | -178.3 | -28.1 | 40.1 | 0 | 0 | 0 | 113.6 | T77 K79 F194 P196 | P74-T77 HydrophobicContact CB-CG2 4.14Å; P74-T77 WeakPolarHBondContact O-CG2 3.48Å; P74-T77 PolarHBondContact O-OG1 2.89Å; P74-K79 PolarHBondContact O-NZ 2.95Å; P74-F194 WeakPolarHBondContact CD-O 3.37Å; P74-P196 HydrophobicContact CG-CG 3.99Å |
| 75 | P | 90.6 | Very high | 90.5 | Very high | 64 Ų | 64 | 21.2 Ų | 21.2 | 42% | 0.416 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 159.1 | 174.1 | 28.7 | -35.8 | 0 | 0 | 0 | 111.3 | T77 | P75-T77 PolarHBondContact O-N 3.27Š|
| 76 | G | 88.3 | Confident | 91.1 | Very high | 12 Ų | 12 | 16 Ų | 16 | 12% | 0.124 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | -2.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | G78 D232 | G76-G78 VanDerWaalsContact C-N 3.29Å; G76-G78 PolarHBondContact O-N 3.33Å; G76-D232 WeakPolarHBondContact CA-OD1 3.44Å |
| 77 | T | 89.6 | Confident | 91.4 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -81.6 | 2.4 | -176.5 | 53.1 | 0 | 0 | 0 | 0 | 115.2 | P74 P75 K195 | P74-T77 HydrophobicContact CB-CG2 4.14Å; P74-T77 WeakPolarHBondContact O-CG2 3.48Å; P74-T77 PolarHBondContact O-OG1 2.89Å; P75-T77 PolarHBondContact O-N 3.27Å; T77-K195 WeakPolarHBondContact CG2-O 3.33Å |
| 78 | G | 89.3 | Confident | 91.2 | Very high | 20 Ų | 20 | 18.6 Ų | 18.6 | 21% | 0.206 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 90.1 | 11.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | G76 T80 S81 T82 | G76-G78 VanDerWaalsContact C-N 3.29Å; G76-G78 PolarHBondContact O-N 3.33Å; G78-T80 PolarHBondContact O-N 3.35Å; G78-S81 PolarHBondContact O-N 3.39Å; G78-T82 WeakPolarHBondContact O-CB 3.19Å; G78-T82 PolarHBondContact O-N 3.45Å; G78-T82 PolarHBondContact O-OG1 3.36Å |
| 79 | K | 91.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 22.3 Ų | 22.3 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -49.3 | -60.1 | 179.4 | -55.4 | -173 | -66 | -88.3 | 0 | 113.4 | F71 G73 P74 T82 I83 I174 C175 N176 F194 | F71-K79 HydrophobicContact CB-CB 4.38Å; G73-K79 PolarHBondContact O-NZ 3.03Å; P74-K79 PolarHBondContact O-NZ 2.95Å; K79-T82 PolarHBondContact O-N 3.41Å; K79-I83 PolarHBondContact O-N 3.05Å; K79-I174 HydrophobicContact CB-CG2 3.64Å; K79-I174 HydrophobicContact CD-CG2 3.88Å; K79-I174 HydrophobicContact CG-CG2 4.38Å; K79-C175 WeakPolarHBondContact CE-O 3.23Å; K79-N176 PolarHBondContact NZ-OD1 3.4Å; K79-F194 HydrophobicContact CD-CB 4.48Å; K79-F194 HydrophobicContact CD-CD2 4.46Å; K79-F194 HydrophobicContact CD-CG 4.49Å; K79-F194 HydrophobicContact CG-CB 3.98Å; K79-F194 HydrophobicContact CG-CD1 4.03Å; K79-F194 HydrophobicContact CG-CD2 3.87Å; K79-F194 HydrophobicContact CG-CE2 4.4Å; K79-F194 HydrophobicContact CG-CG 3.68Å |
| 80 | T | 91.6 | Very high | 90.3 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 7% | 0.067 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | -180 | -38.4 | 0 | 0 | 0 | 0 | 111.2 | G78 T82 I83 L84 D145 I174 | G78-T80 PolarHBondContact O-N 3.35Å; T80-T82 VanDerWaalsContact C-N 3.28Å; T80-T82 PolarHBondContact O-N 2.97Å; T80-I83 WeakPolarHBondContact O-CG2 3.32Å; T80-I83 PolarHBondContact O-N 3.21Å; T80-L84 HydrophobicContact CG2-CD1 3.81Å; T80-L84 HydrophobicContact CG2-CG 4.35Å; T80-L84 WeakPolarHBondContact O-CB 3.3Å; T80-L84 WeakPolarHBondContact O-CD1 3.36Å; T80-L84 WeakPolarHBondContact O-CG 3.43Å; T80-L84 PolarHBondContact O-N 2.97Å; T80-L84 VanDerWaalsContact O-N 3.14Å; T80-D145 WeakPolarHBondContact CG2-OD2 3.38Å; T80-D145 PolarHBondContact OG1-OD2 2.9Å; T80-I174 HydrophobicContact CG2-CD1 4.15Å |
| 81 | S | 90.9 | Very high | 89.7 | Confident | 23 Ų | 23 | 23.5 Ų | 23.5 | 16% | 0.161 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.2 | -39.2 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | G78 A85 | G78-S81 PolarHBondContact O-N 3.39Å; S81-A85 VanDerWaalsContact O-CB 3.24Å; S81-A85 WeakPolarHBondContact O-CB 3.47Å; S81-A85 PolarHBondContact O-N 2.72Å |
| 82 | T | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -49.7 | -177.4 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | V47 L57 F71 G78 K79 T80 L84 A85 A86 F194 | V47-T82 WeakPolarHBondContact CG1-OG1 3.08Å; V47-T82 HydrophobicContact CG2-CG2 4.47Å; L57-T82 HydrophobicContact CD1-CG2 3.6Å; F71-T82 HydrophobicContact CE2-CG2 4.39Å; G78-T82 WeakPolarHBondContact O-CB 3.19Å; G78-T82 PolarHBondContact O-N 3.45Å; G78-T82 PolarHBondContact O-OG1 3.36Å; K79-T82 PolarHBondContact O-N 3.41Å; T80-T82 VanDerWaalsContact C-N 3.28Å; T80-T82 PolarHBondContact O-N 2.97Å; T82-L84 PolarHBondContact O-N 3.36Å; T82-A85 PolarHBondContact O-N 3.42Å; T82-A86 WeakPolarHBondContact O-CB 3.23Å; T82-A86 PolarHBondContact O-N 3.36Å; T82-F194 HydrophobicContact CG2-CE1 4.5Å; T82-F194 HydrophobicContact CG2-CZ 4.27Å; T82-F194 WeakPolarHBondContact OG1-CE1 3.48Å |
| 83 | I | 90.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.3 | -36.4 | 179.9 | -174.7 | 62.7 | 0 | 0 | 0 | 111.9 | L69 F71 K79 T80 A86 A87 I143 C172 I174 | L69-I83 HydrophobicContact CD1-CD1 3.92Å; F71-I83 HydrophobicContact CD2-CB 4.42Å; F71-I83 HydrophobicContact CE2-CB 3.76Å; F71-I83 HydrophobicContact CE2-CG2 4.47Å; K79-I83 PolarHBondContact O-N 3.05Å; T80-I83 WeakPolarHBondContact O-CG2 3.32Å; T80-I83 PolarHBondContact O-N 3.21Å; I83-A86 PolarHBondContact O-N 2.82Å; I83-A87 VanDerWaalsContact O-CB 3.24Å; I83-A87 WeakPolarHBondContact O-CB 3.46Å; I83-A87 PolarHBondContact O-N 2.94Å; I83-I143 HydrophobicContact CB-CD1 4.47Å; I83-I143 HydrophobicContact CG1-CD1 3.75Å; I83-I143 HydrophobicContact CG1-CG1 3.92Å; I83-I143 HydrophobicContact CG2-CD1 3.97Å; I83-I143 HydrophobicContact CG2-CG1 4.45Å; I83-I143 HydrophobicContact CG2-CG2 3.99Å; I83-C172 HydrophobicContact CD1-CB 4.01Å; I83-C172 HydrophobicContact CG1-CB 3.88Å; I83-I174 HydrophobicContact CG2-CD1 3.89Å |
| 84 | L | 90.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.4 | -39.5 | 178 | -64.3 | 170.2 | 0 | 0 | 0 | 111.1 | T80 T82 A87 R88 Y96 I143 | T80-L84 HydrophobicContact CG2-CD1 3.81Å; T80-L84 HydrophobicContact CG2-CG 4.35Å; T80-L84 WeakPolarHBondContact O-CB 3.3Å; T80-L84 WeakPolarHBondContact O-CD1 3.36Å; T80-L84 WeakPolarHBondContact O-CG 3.43Å; T80-L84 PolarHBondContact O-N 2.97Å; T80-L84 VanDerWaalsContact O-N 3.14Å; T82-L84 PolarHBondContact O-N 3.36Å; L84-A87 PolarHBondContact O-N 2.97Å; L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 VanDerWaalsContact O-CG 3.22Å; L84-R88 WeakPolarHBondContact O-CG 3.49Å; L84-R88 PolarHBondContact O-N 3.45Å; L84-Y96 WeakPolarHBondContact CD2-OH 3.49Å; L84-I143 HydrophobicContact CD2-CD1 3.64Å; L84-I143 HydrophobicContact CG-CD1 4.45Å |
| 85 | A | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V44 S81 T82 A87 R88 E89 | V44-A85 HydrophobicContact CG2-CB 4.41Å; S81-A85 VanDerWaalsContact O-CB 3.24Å; S81-A85 WeakPolarHBondContact O-CB 3.47Å; S81-A85 PolarHBondContact O-N 2.72Å; T82-A85 PolarHBondContact O-N 3.42Å; A85-A87 VanDerWaalsContact C-N 3.34Å; A85-A87 PolarHBondContact O-N 3.5Å; A85-R88 PolarHBondContact O-N 3.19Å; A85-E89 WeakPolarHBondContact O-CB 3.33Å; A85-E89 PolarHBondContact O-N 2.93Å |
| 86 | A | 87.7 | Confident | 87.2 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V44 L61 T82 I83 E89 L90 | V44-A86 VanDerWaalsContact CG2-CA 3.5Å; V44-A86 HydrophobicContact CG2-CB 3.82Å; L61-A86 HydrophobicContact CD1-CB 3.91Å; T82-A86 WeakPolarHBondContact O-CB 3.23Å; T82-A86 PolarHBondContact O-N 3.36Å; I83-A86 PolarHBondContact O-N 2.82Å; A86-E89 PolarHBondContact O-N 2.86Å; A86-L90 VanDerWaalsContact O-CB 3.29Å; A86-L90 WeakPolarHBondContact O-CB 3.45Å; A86-L90 PolarHBondContact O-N 3.31Å |
| 87 | A | 88.3 | Confident | 87 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.4 | -33.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I83 L84 A85 Y91 Y96 V100 I141 | I83-A87 VanDerWaalsContact O-CB 3.24Å; I83-A87 WeakPolarHBondContact O-CB 3.46Å; I83-A87 PolarHBondContact O-N 2.94Å; L84-A87 PolarHBondContact O-N 2.97Å; A85-A87 VanDerWaalsContact C-N 3.34Å; A85-A87 PolarHBondContact O-N 3.5Å; A87-Y91 HydrophobicContact CB-CD2 4.49Å; A87-Y91 WeakPolarHBondContact O-CB 3.37Å; A87-Y91 WeakPolarHBondContact O-CD2 3.18Å; A87-Y91 PolarHBondContact O-N 3.19Å; A87-Y96 HydrophobicContact CB-CD2 4.38Å; A87-Y96 HydrophobicContact CB-CE2 3.94Å; A87-V100 HydrophobicContact CB-CG2 3.86Å; A87-I141 HydrophobicContact CB-CD1 4.41Å |
| 88 | R | 87.3 | Confident | 86.8 | Confident | 98 Ų | 98 | 45.3 Ų | 45.3 | 37% | 0.37 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.2 | -40.6 | 172.5 | -75.5 | 171.3 | -173.6 | 165.3 | 1.7 | 111.9 | L84 A85 G92 Y96 | L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 VanDerWaalsContact O-CG 3.22Å; L84-R88 WeakPolarHBondContact O-CG 3.49Å; L84-R88 PolarHBondContact O-N 3.45Å; A85-R88 PolarHBondContact O-N 3.19Å; R88-G92 WeakPolarHBondContact O-CA 3.28Å; R88-G92 PolarHBondContact O-N 3.47Å; R88-Y96 HydrophobicContact CB-CD2 4.48Å; R88-Y96 HydrophobicContact CG-CD2 3.72Å; R88-Y96 HydrophobicContact CG-CE2 3.65Å |
| 89 | E | 84.2 | Confident | 86.7 | Confident | 100 Ų | 100 | 44.6 Ų | 44.6 | 47% | 0.467 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.2 | -168 | 173.6 | 150.7 | 0 | 0 | 111.2 | V44 A85 A86 | V44-E89 WeakPolarHBondContact CG2-OE2 3.34Å; V44-E89 PolarHBondContact N-OE2 3.16Å; A85-E89 WeakPolarHBondContact O-CB 3.33Å; A85-E89 PolarHBondContact O-N 2.93Å; A86-E89 PolarHBondContact O-N 2.86Å |
| 90 | L | 83.1 | Confident | 86.6 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.1 | -44.5 | -178.1 | -166.2 | 65.1 | 0 | 0 | 0 | 114 | L61 A86 P137 F139 I141 | L61-L90 HydrophobicContact CB-CD1 4.46Å; L61-L90 HydrophobicContact CD2-CB 4.24Å; L61-L90 HydrophobicContact CD2-CD1 3.87Å; L61-L90 HydrophobicContact CD2-CD2 3.86Å; L61-L90 HydrophobicContact CD2-CG 4.21Å; A86-L90 VanDerWaalsContact O-CB 3.29Å; A86-L90 WeakPolarHBondContact O-CB 3.45Å; A86-L90 PolarHBondContact O-N 3.31Å; L90-P137 HydrophobicContact CD1-CG 3.51Å; L90-P137 HydrophobicContact CD2-CG 4.01Å; L90-P137 HydrophobicContact CG-CG 3.75Å; L90-F139 HydrophobicContact CD2-CE2 3.97Å; L90-F139 HydrophobicContact CD2-CZ 4.09Å; L90-I141 HydrophobicContact CD2-CD1 4.13Å |
| 91 | Y | 84.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -103.7 | -15.1 | -173.1 | -62.1 | -54.6 | 0 | 0 | 0 | 114 | A87 L95 R99 V100 H130 F139 I141 | A87-Y91 HydrophobicContact CB-CD2 4.49Å; A87-Y91 WeakPolarHBondContact O-CB 3.37Å; A87-Y91 WeakPolarHBondContact O-CD2 3.18Å; A87-Y91 PolarHBondContact O-N 3.19Å; Y91-L95 WeakPolarHBondContact O-CB 3Å; Y91-R99 HydrophobicContact CD1-CB 4.1Å; Y91-R99 HydrophobicContact CD1-CG 4.37Å; Y91-R99 HydrophobicContact CD2-CB 4.11Å; Y91-R99 HydrophobicContact CE1-CB 4.06Å; Y91-R99 VanDerWaalsContact CE1-CD 3.45Å; Y91-R99 HydrophobicContact CE1-CG 4.42Å; Y91-R99 HydrophobicContact CE2-CB 4.06Å; Y91-R99 HydrophobicContact CG-CB 4.12Å; Y91-V100 HydrophobicContact CD2-CG2 3.54Å; Y91-V100 HydrophobicContact CE2-CG2 3.76Å; Y91-H130 PolarHBondContact O-CE1 3.31Å; Y91-F139 VanDerWaalsContact OH-CD2 3.29Å; Y91-F139 WeakPolarHBondContact OH-CD2 3.37Å; Y91-F139 WeakPolarHBondContact OH-CE2 3.1Å; Y91-F139 PolarHBondContact OH-O 2.96Å; Y91-I141 HydrophobicContact CE2-CB 4.36Å; Y91-I141 HydrophobicContact CE2-CD1 3.76Å; Y91-I141 HydrophobicContact CE2-CG1 3.99Å; Y91-I141 WeakPolarHBondContact OH-CG1 3.25Å |
| 92 | G | 83.9 | Confident | 86.6 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | 64 | 174.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R88 E94 Y96 | R88-G92 WeakPolarHBondContact O-CA 3.28Å; R88-G92 PolarHBondContact O-N 3.47Å; G92-E94 VanDerWaalsContact C-N 3.31Å; G92-E94 PolarHBondContact O-N 3.39Å; G92-Y96 VanDerWaalsContact O-CB 3.25Å; G92-Y96 WeakPolarHBondContact O-CB 3.38Å; G92-Y96 PolarHBondContact O-N 2.93Å |
| 93 | P | 81.5 | Confident | 86.4 | Confident | 120 Ų | 120 | 49.6 Ų | 49.6 | 78% | 0.779 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.8 | -27.6 | -172.8 | 25.4 | -34 | 0 | 0 | 0 | 114.2 | ||
| 94 | E | 80.5 | Confident | 86.2 | Confident | 111 Ų | 111 | 51.6 Ų | 51.6 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.8 | -48.9 | -176.1 | -64.5 | 179.1 | 174.1 | 0 | 0 | 112.5 | G92 | G92-E94 VanDerWaalsContact C-N 3.31Å; G92-E94 PolarHBondContact O-N 3.39Å |
| 95 | L | 82.8 | Confident | 85.3 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -86.6 | -16.8 | -176.4 | -63.9 | 177.2 | 0 | 0 | 0 | 112.9 | Y91 R97 Q98 R99 H130 C136 | Y91-L95 WeakPolarHBondContact O-CB 3Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.93Å; L95-Q98 PolarHBondContact O-N 3.48Å; L95-R99 HydrophobicContact CB-CG 4.34Å; L95-R99 WeakPolarHBondContact O-CB 3.41Å; L95-R99 PolarHBondContact O-N 3.28Å; L95-H130 WeakPolarHBondContact CD1-CE1 3.41Å; L95-H130 VanDerWaalsContact CD1-ND1 3.31Å; L95-H130 WeakPolarHBondContact CD1-ND1 3.15Å; L95-C136 HydrophobicContact CD1-CB 4.49Å |
| 96 | Y | 85.3 | Confident | 84.4 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -49.3 | -49.6 | 179.9 | -177.5 | -88.5 | 0 | 0 | 0 | 112.3 | L84 A87 R88 G92 Q98 R99 V100 | L84-Y96 WeakPolarHBondContact CD2-OH 3.49Å; A87-Y96 HydrophobicContact CB-CD2 4.38Å; A87-Y96 HydrophobicContact CB-CE2 3.94Å; R88-Y96 HydrophobicContact CB-CD2 4.48Å; R88-Y96 HydrophobicContact CG-CD2 3.72Å; R88-Y96 HydrophobicContact CG-CE2 3.65Å; G92-Y96 VanDerWaalsContact O-CB 3.25Å; G92-Y96 WeakPolarHBondContact O-CB 3.38Å; G92-Y96 PolarHBondContact O-N 2.93Å; Y96-Q98 PolarHBondContact O-N 3.37Å; Y96-R99 PolarHBondContact O-N 3.19Å; Y96-V100 HydrophobicContact CD2-CB 4.33Å; Y96-V100 HydrophobicContact CD2-CG2 3.78Å; Y96-V100 HydrophobicContact CE1-CB 4.42Å; Y96-V100 HydrophobicContact CE2-CB 4.18Å; Y96-V100 HydrophobicContact CE2-CG1 4.18Å; Y96-V100 HydrophobicContact CE2-CG2 3.89Å; Y96-V100 HydrophobicContact CG-CG2 4.25Å; Y96-V100 VanDerWaalsContact O-CB 3.27Å; Y96-V100 WeakPolarHBondContact O-CB 3.4Å; Y96-V100 WeakPolarHBondContact O-CG2 3.3Å; Y96-V100 PolarHBondContact O-N 3.11Å |
| 97 | R | 84.1 | Confident | 83.4 | Confident | 221 Ų | 221 | 58.9 Ų | 58.9 | 83% | 0.834 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67 | -23 | -178.4 | -69.4 | -175.7 | 178.5 | 155.6 | 0.7 | 114.2 | L95 | L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.93Å |
| 98 | Q | 84.4 | Confident | 82.1 | Confident | 132 Ų | 132 | 61.3 Ų | 61.3 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -93.1 | -29.1 | -178.9 | -62.4 | -179.7 | 8.8 | 0 | 0 | 112 | L95 Y96 | L95-Q98 PolarHBondContact O-N 3.48Å; Y96-Q98 PolarHBondContact O-N 3.37Å |
| 99 | R | 86.6 | Confident | 80.6 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 2% | 0.019 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -108.7 | -12.8 | -171.7 | -62.8 | -171.1 | -175.7 | -138.9 | 6.3 | 114.8 | Y91 L95 Y96 V126 A127 C136 P137 K140 I141 | Y91-R99 HydrophobicContact CD1-CB 4.1Å; Y91-R99 HydrophobicContact CD1-CG 4.37Å; Y91-R99 HydrophobicContact CD2-CB 4.11Å; Y91-R99 HydrophobicContact CE1-CB 4.06Å; Y91-R99 VanDerWaalsContact CE1-CD 3.45Å; Y91-R99 HydrophobicContact CE1-CG 4.42Å; Y91-R99 HydrophobicContact CE2-CB 4.06Å; Y91-R99 HydrophobicContact CG-CB 4.12Å; L95-R99 HydrophobicContact CB-CG 4.34Å; L95-R99 WeakPolarHBondContact O-CB 3.41Å; L95-R99 PolarHBondContact O-N 3.28Å; Y96-R99 PolarHBondContact O-N 3.19Å; R99-V126 HydrophobicContact CG-CG1 4.02Å; R99-V126 VanDerWaalsContact NE-CG1 3.35Å; R99-A127 PolarHBondContact NH2-O 2.92Å; R99-C136 PolarHBondContact NH1-SG 3.29Å; R99-P137 PolarHBondContact NH1-O 3.48Å; R99-K140 WeakPolarHBondContact O-CA 3.4Å; R99-K140 WeakPolarHBondContact O-CB 3.35Å; R99-I141 PolarHBondContact O-N 3.31Å |
| 100 | V | 91 | Very high | 79.6 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.5 | 178.8 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | A87 Y91 Y96 I141 I143 | A87-V100 HydrophobicContact CB-CG2 3.86Å; Y91-V100 HydrophobicContact CD2-CG2 3.54Å; Y91-V100 HydrophobicContact CE2-CG2 3.76Å; Y96-V100 HydrophobicContact CD2-CB 4.33Å; Y96-V100 HydrophobicContact CD2-CG2 3.78Å; Y96-V100 HydrophobicContact CE1-CB 4.42Å; Y96-V100 HydrophobicContact CE2-CB 4.18Å; Y96-V100 HydrophobicContact CE2-CG1 4.18Å; Y96-V100 HydrophobicContact CE2-CG2 3.89Å; Y96-V100 HydrophobicContact CG-CG2 4.25Å; Y96-V100 VanDerWaalsContact O-CB 3.27Å; Y96-V100 WeakPolarHBondContact O-CB 3.4Å; Y96-V100 WeakPolarHBondContact O-CG2 3.3Å; Y96-V100 PolarHBondContact O-N 3.11Å; V100-I141 WeakPolarHBondContact CA-O 3.49Å; V100-I143 HydrophobicContact CG1-CD1 3.74Å; V100-I143 HydrophobicContact CG1-CG1 4.29Å |
| 101 | L | 90.7 | Very high | 78.9 | Confident | 34 Ų | 34 | 66 Ų | 66 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113.7 | 169 | 176.7 | 65.8 | 0 | 0 | 0 | 108.5 | L103 F121 I141 I142 I143 | L101-L103 HydrophobicContact CD1-CD2 4.07Å; L101-L103 HydrophobicContact CD1-CG 4.24Å; L101-L103 HydrophobicContact CD2-CD1 3.96Å; L101-L103 HydrophobicContact CD2-CG 4.21Å; L101-L103 HydrophobicContact CG-CD1 4.29Å; L101-L103 HydrophobicContact CG-CD2 4.36Å; L101-L103 HydrophobicContact CG-CG 3.98Å; L101-F121 HydrophobicContact CB-CD1 3.63Å; L101-F121 HydrophobicContact CB-CD2 4.1Å; L101-F121 HydrophobicContact CB-CE1 3.55Å; L101-F121 HydrophobicContact CB-CE2 4.04Å; L101-F121 HydrophobicContact CB-CG 3.89Å; L101-F121 HydrophobicContact CB-CZ 3.77Å; L101-F121 HydrophobicContact CD2-CB 3.64Å; L101-F121 HydrophobicContact CD2-CD1 3.95Å; L101-F121 HydrophobicContact CD2-CD2 4.34Å; L101-F121 HydrophobicContact CD2-CG 3.72Å; L101-F121 HydrophobicContact CG-CD1 4.43Å; L101-F121 HydrophobicContact CG-CG 4.36Å; L101-I141 PolarHBondContact N-O 3.31Å; L101-I142 HydrophobicContact CB-CG1 4.37Å; L101-I142 HydrophobicContact CD2-CG2 4.4Å; L101-I142 CarbonylContact O-C 3.58Å; L101-I142 WeakPolarHBondContact O-CA 3.4Å; L101-I143 PolarHBondContact O-N 2.9Å |
| 102 | E | 90.8 | Very high | 78.2 | Confident | 99 Ų | 99 | 72.3 Ų | 72.3 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.1 | 170.9 | -178.4 | -175.1 | -178 | 0 | 0 | 108.7 | ||
| 103 | L | 88.4 | Confident | 77.6 | Confident | 8 Ų | 8 | 74.4 Ų | 74.4 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.6 | 171.7 | -61.4 | 172.6 | 0 | 0 | 0 | 108.7 | L101 K117 V118 I143 L144 D145 | L101-L103 HydrophobicContact CD1-CD2 4.07Å; L101-L103 HydrophobicContact CD1-CG 4.24Å; L101-L103 HydrophobicContact CD2-CD1 3.96Å; L101-L103 HydrophobicContact CD2-CG 4.21Å; L101-L103 HydrophobicContact CG-CD1 4.29Å; L101-L103 HydrophobicContact CG-CD2 4.36Å; L101-L103 HydrophobicContact CG-CG 3.98Å; L103-K117 HydrophobicContact CD2-CD 4.24Å; L103-V118 HydrophobicContact CD1-CG2 3.65Å; L103-I143 PolarHBondContact N-O 2.91Å; L103-L144 HydrophobicContact CB-CD2 3.89Å; L103-L144 HydrophobicContact CD1-CD2 3.97Å; L103-L144 HydrophobicContact CG-CD2 4.41Å; L103-L144 WeakPolarHBondContact O-CA 3.36Å; L103-D145 PolarHBondContact O-N 3.4Å |
| 104 | N | 86.3 | Confident | 77.3 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 114.9 | 165.2 | -169.4 | 1.7 | 0 | 0 | 0 | 108.7 | S106 D107 E108 | N104-S106 PolarHBondContact ND2-OG 3.01Å; N104-S106 PolarHBondContact O-N 2.97Å; N104-S106 PolarHBondContact OD1-N 3.23Å; N104-S106 PolarHBondContact OD1-OG 3.44Å; N104-D107 HydrophobicContact CB-CB 4.37Å; N104-D107 PolarHBondContact ND2-OD2 3.4Å; N104-D107 PolarHBondContact O-N 3.03Å; N104-E108 PolarHBondContact O-N 3.39Å |
| 105 | A | 71.8 | Confident | 77.1 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -20.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I114 D145 M150 | A105-I114 HydrophobicContact CB-CD1 4.46Å; A105-D145 VanDerWaalsContact CB-O 3.24Å; A105-D145 WeakPolarHBondContact CB-O 3.37Å; A105-D145 PolarHBondContact N-O 3.15Å; A105-M150 HydrophobicContact CB-CG 3.55Å; A105-M150 HydrophobicContact CB-SD 4.01Å |
| 106 | S | 70.5 | Confident | 77.1 | Confident | 30 Ų | 30 | 74.9 Ų | 74.9 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -31.7 | 176.7 | 61 | 0 | 0 | 0 | 0 | 113.7 | N104 R109 E146 | N104-S106 PolarHBondContact ND2-OG 3.01Å; N104-S106 PolarHBondContact O-N 2.97Å; N104-S106 PolarHBondContact OD1-N 3.23Å; N104-S106 PolarHBondContact OD1-OG 3.44Å; S106-R109 WeakPolarHBondContact O-CG 3.37Å; S106-E146 WeakPolarHBondContact CB-OE2 3.39Å; S106-E146 PolarHBondContact OG-OE2 3.29Å |
| 107 | D | 65.1 | Low | 77.1 | Confident | 125 Ų | 125 | 77.3 Ų | 77.3 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -39.8 | 179.4 | -69.2 | -41 | 0 | 0 | 0 | 111.3 | N104 R109 | N104-D107 HydrophobicContact CB-CB 4.37Å; N104-D107 PolarHBondContact ND2-OD2 3.4Å; N104-D107 PolarHBondContact O-N 3.03Å; D107-R109 VanDerWaalsContact C-N 3.34Å; D107-R109 PolarHBondContact O-N 2.83Å |
| 108 | E | 62.2 | Low | 77.2 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | trans | -92.6 | 55 | -179 | -59.2 | -160.9 | 177.2 | 0 | 0 | 112.3 | N104 G110 I114 K117 | N104-E108 PolarHBondContact O-N 3.39Å; E108-G110 PolarHBondContact O-N 3.07Å; E108-I114 HydrophobicContact CB-CG1 4.19Å; E108-I114 VanDerWaalsContact O-CD1 3.27Å; E108-I114 WeakPolarHBondContact O-CD1 3.46Å; E108-I114 WeakPolarHBondContact O-CG1 3.49Å; E108-K117 IonicContact OE1-NZ 3.68Å; E108-K117 PolarHBondContact OE1-NZ 2.92Å; E108-K117 WeakPolarHBondContact OE2-CD 3.36Å; E108-K117 IonicContact OE2-NZ 3.29Å; E108-K117 PolarHBondContact OE2-NZ 2.91Å | ||
| 109 | R | 56.6 | Low | 77.2 | Confident | 214 Ų | 214 | 65 Ų | 65 | 81% | 0.808 | 31% | 0.312 | S | S | * | . | trans | -57.5 | -12.8 | -172 | -60.9 | -176.2 | -73.3 | 173.4 | -2.4 | 116.3 | S106 D107 I111 | S106-R109 WeakPolarHBondContact O-CG 3.37Å; D107-R109 VanDerWaalsContact C-N 3.34Å; D107-R109 PolarHBondContact O-N 2.83Å; R109-I111 PolarHBondContact O-N 3.37Å | ||
| 110 | G | 62.2 | Low | 77.2 | Confident | 33 Ų | 33 | 69.4 Ų | 69.4 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | trans | -71 | 108.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E108 Q112 V113 I114 | E108-G110 PolarHBondContact O-N 3.07Å; G110-Q112 PolarHBondContact O-N 3.28Å; G110-V113 PolarHBondContact O-N 3.44Å; G110-I114 PolarHBondContact O-N 3.49Å; G110-I114 VanDerWaalsContact O-N 3.16Å | ||
| 111 | I | 67.9 | Low | 77.1 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -45.2 | -38.5 | 171.9 | -58.2 | 178.3 | 0 | 0 | 0 | 110.9 | R109 R115 A154 | R109-I111 PolarHBondContact O-N 3.37Å; I111-R115 VanDerWaalsContact O-CB 3.25Å; I111-R115 WeakPolarHBondContact O-CB 3.45Å; I111-R115 PolarHBondContact O-N 3.29Å; I111-A154 HydrophobicContact CB-CB 4.5Å; I111-A154 HydrophobicContact CG1-CB 4.2Å; I111-A154 HydrophobicContact CG2-CB 4.07Å |
| 112 | Q | 70.5 | Confident | 76.7 | Confident | 133 Ų | 133 | 68.5 Ų | 68.5 | 62% | 0.621 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -73.4 | -37.4 | -180 | -166.3 | 168.3 | -4.7 | 0 | 0 | 113.2 | G110 R115 E116 | G110-Q112 PolarHBondContact O-N 3.28Å; Q112-R115 PolarHBondContact O-N 3.39Å; Q112-E116 HydrophobicContact CG-CG 4.37Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.33Å; Q112-E116 PolarHBondContact NE2-OE1 3.49Å; Q112-E116 WeakPolarHBondContact O-CB 3.22Å; Q112-E116 WeakPolarHBondContact O-CG 3.38Å; Q112-E116 PolarHBondContact O-N 3.23Å |
| 113 | V | 71.1 | Confident | 76.4 | Confident | 64 Ų | 64 | 68 Ų | 68 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.5 | -48.1 | 180 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | G110 R115 E116 K117 | G110-V113 PolarHBondContact O-N 3.44Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 3.3Å; V113-E116 PolarHBondContact O-N 3.44Å; V113-K117 HydrophobicContact CG1-CD 4.06Å; V113-K117 HydrophobicContact CG1-CG 4.4Å; V113-K117 WeakPolarHBondContact O-CB 3.43Å; V113-K117 WeakPolarHBondContact O-CG 3.15Å; V113-K117 PolarHBondContact O-N 3.5Å |
| 114 | I | 74 | Confident | 76.1 | Confident | 11 Ų | 11 | 72.6 Ų | 72.6 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 176 | -63.1 | 173.9 | 0 | 0 | 0 | 109.4 | A105 E108 G110 E116 V118 M150 | A105-I114 HydrophobicContact CB-CD1 4.46Å; E108-I114 HydrophobicContact CB-CG1 4.19Å; E108-I114 VanDerWaalsContact O-CD1 3.27Å; E108-I114 WeakPolarHBondContact O-CD1 3.46Å; E108-I114 WeakPolarHBondContact O-CG1 3.49Å; G110-I114 PolarHBondContact O-N 3.49Å; G110-I114 VanDerWaalsContact O-N 3.16Å; I114-E116 PolarHBondContact O-N 3.2Å; I114-V118 HydrophobicContact CG2-CG2 3.94Å; I114-V118 WeakPolarHBondContact O-CB 3.35Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.39Å; I114-M150 HydrophobicContact CD1-CE 4.35Å; I114-M150 HydrophobicContact CG2-CE 4.26Å |
| 115 | R | 76.3 | Confident | 75.4 | Confident | 143 Ų | 143 | 77.3 Ų | 77.3 | 54% | 0.54 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | -179.5 | -175.7 | -178.5 | -178.5 | -165.9 | -1.2 | 112.2 | I111 Q112 V113 K119 | I111-R115 VanDerWaalsContact O-CB 3.25Å; I111-R115 WeakPolarHBondContact O-CB 3.45Å; I111-R115 PolarHBondContact O-N 3.29Å; Q112-R115 PolarHBondContact O-N 3.39Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 3.3Å; R115-K119 WeakPolarHBondContact O-CB 3.12Å; R115-K119 PolarHBondContact O-N 3.14Å |
| 116 | E | 84.1 | Confident | 75.5 | Confident | 97 Ų | 97 | 79.1 Ų | 79.1 | 45% | 0.453 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.9 | -47.1 | -177.6 | -73.4 | 177.9 | -170.7 | 0 | 0 | 111.7 | Q112 V113 I114 K119 N120 | Q112-E116 HydrophobicContact CG-CG 4.37Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.33Å; Q112-E116 PolarHBondContact NE2-OE1 3.49Å; Q112-E116 WeakPolarHBondContact O-CB 3.22Å; Q112-E116 WeakPolarHBondContact O-CG 3.38Å; Q112-E116 PolarHBondContact O-N 3.23Å; V113-E116 PolarHBondContact O-N 3.44Å; I114-E116 PolarHBondContact O-N 3.2Å; E116-K119 PolarHBondContact O-N 3.04Å; E116-N120 VanDerWaalsContact O-CB 3.26Å; E116-N120 WeakPolarHBondContact O-CB 3.44Å; E116-N120 PolarHBondContact O-N 3.13Å; E116-N120 PolarHBondContact O-ND2 3.05Å; E116-N120 PolarHBondContact O-OD1 3.07Å |
| 117 | K | 84.4 | Confident | 75.1 | Confident | 88 Ų | 88 | 81 Ų | 81 | 38% | 0.383 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 178.2 | -75.7 | -173.8 | -179.2 | 176.7 | 0 | 112.4 | L103 E108 V113 K119 N120 F121 | L103-K117 HydrophobicContact CD2-CD 4.24Å; E108-K117 IonicContact OE1-NZ 3.68Å; E108-K117 PolarHBondContact OE1-NZ 2.92Å; E108-K117 WeakPolarHBondContact OE2-CD 3.36Å; E108-K117 IonicContact OE2-NZ 3.29Å; E108-K117 PolarHBondContact OE2-NZ 2.91Å; V113-K117 HydrophobicContact CG1-CD 4.06Å; V113-K117 HydrophobicContact CG1-CG 4.4Å; V113-K117 WeakPolarHBondContact O-CB 3.43Å; V113-K117 WeakPolarHBondContact O-CG 3.15Å; V113-K117 PolarHBondContact O-N 3.5Å; K117-K119 VanDerWaalsContact C-N 3.34Å; K117-K119 PolarHBondContact O-N 3.48Å; K117-N120 PolarHBondContact O-N 3.11Å; K117-F121 WeakPolarHBondContact O-CB 3.49Å; K117-F121 PolarHBondContact O-N 3.41Å |
| 118 | V | 85.6 | Confident | 75 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 178.7 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | L103 I114 A122 I142 L144 L158 T161 F171 | L103-V118 HydrophobicContact CD1-CG2 3.65Å; I114-V118 HydrophobicContact CG2-CG2 3.94Å; I114-V118 WeakPolarHBondContact O-CB 3.35Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.39Å; V118-A122 WeakPolarHBondContact O-CB 3.49Å; V118-A122 PolarHBondContact O-N 3.41Å; V118-I142 HydrophobicContact CG1-CD1 3.83Å; V118-I142 HydrophobicContact CG2-CG2 4.38Å; V118-L144 HydrophobicContact CG2-CD2 4.28Å; V118-L158 HydrophobicContact CG1-CD1 3.95Å; V118-T161 HydrophobicContact CG1-CG2 4.19Å; V118-F171 HydrophobicContact CG1-CE1 3.67Å; V118-F171 HydrophobicContact CG1-CZ 4.02Å |
| 119 | K | 84.9 | Confident | 75 | Confident | 94 Ų | 94 | 78.8 Ų | 78.8 | 41% | 0.409 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 178.3 | -177.2 | -174.6 | 175.4 | -163.9 | 0 | 111.8 | R115 E116 K117 F121 A122 Q123 | R115-K119 WeakPolarHBondContact O-CB 3.12Å; R115-K119 PolarHBondContact O-N 3.14Å; E116-K119 PolarHBondContact O-N 3.04Å; K117-K119 VanDerWaalsContact C-N 3.34Å; K117-K119 PolarHBondContact O-N 3.48Å; K119-F121 VanDerWaalsContact C-N 3.34Å; K119-F121 PolarHBondContact O-N 3.09Å; K119-A122 PolarHBondContact O-N 3.18Å; K119-Q123 WeakPolarHBondContact O-CB 3.14Å; K119-Q123 VanDerWaalsContact O-CG 3.24Å; K119-Q123 WeakPolarHBondContact O-CG 3.22Å; K119-Q123 PolarHBondContact O-N 2.96Å |
| 120 | N | 87.6 | Confident | 75.2 | Confident | 98 Ų | 98 | 70.1 Ų | 70.1 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | -179.6 | -69.1 | -13 | 0 | 0 | 0 | 110.4 | E116 K117 Q123 L124 | E116-N120 VanDerWaalsContact O-CB 3.26Å; E116-N120 WeakPolarHBondContact O-CB 3.44Å; E116-N120 PolarHBondContact O-N 3.13Å; E116-N120 PolarHBondContact O-ND2 3.05Å; E116-N120 PolarHBondContact O-OD1 3.07Å; K117-N120 PolarHBondContact O-N 3.11Å; N120-Q123 PolarHBondContact O-N 3.45Å; N120-L124 WeakPolarHBondContact O-CG 3.28Å; N120-L124 PolarHBondContact O-N 2.93Å |
| 121 | F | 87.4 | Confident | 75.1 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 11% | 0.114 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 177.5 | -171.8 | -97.8 | 0 | 0 | 0 | 112.3 | L101 K117 K119 Q123 L124 K140 I142 | L101-F121 HydrophobicContact CB-CD1 3.63Å; L101-F121 HydrophobicContact CB-CD2 4.1Å; L101-F121 HydrophobicContact CB-CE1 3.55Å; L101-F121 HydrophobicContact CB-CE2 4.04Å; L101-F121 HydrophobicContact CB-CG 3.89Å; L101-F121 HydrophobicContact CB-CZ 3.77Å; L101-F121 HydrophobicContact CD2-CB 3.64Å; L101-F121 HydrophobicContact CD2-CD1 3.95Å; L101-F121 HydrophobicContact CD2-CD2 4.34Å; L101-F121 HydrophobicContact CD2-CG 3.72Å; L101-F121 HydrophobicContact CG-CD1 4.43Å; L101-F121 HydrophobicContact CG-CG 4.36Å; K117-F121 WeakPolarHBondContact O-CB 3.49Å; K117-F121 PolarHBondContact O-N 3.41Å; K119-F121 VanDerWaalsContact C-N 3.34Å; K119-F121 PolarHBondContact O-N 3.09Å; F121-Q123 VanDerWaalsContact C-N 3.27Å; F121-Q123 PolarHBondContact O-N 3.17Å; F121-L124 HydrophobicContact CD2-CD1 4.12Å; F121-L124 PolarHBondContact O-N 3.38Å; F121-K140 HydrophobicContact CD1-CD 4.44Å; F121-K140 HydrophobicContact CE1-CB 3.98Å; F121-K140 HydrophobicContact CE1-CD 4Å; F121-K140 HydrophobicContact CE1-CG 4.38Å; F121-K140 HydrophobicContact CZ-CD 4.27Å; F121-K140 PolarHBondContact O-NZ 3.3Å; F121-I142 HydrophobicContact CD1-CD1 3.82Å; F121-I142 HydrophobicContact CD1-CG1 3.67Å; F121-I142 HydrophobicContact CE1-CG1 3.98Å |
| 122 | A | 84 | Confident | 74.7 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.8 | -29.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V118 K119 K140 I142 T161 E165 S168 T169 | V118-A122 WeakPolarHBondContact O-CB 3.49Å; V118-A122 PolarHBondContact O-N 3.41Å; K119-A122 PolarHBondContact O-N 3.18Å; A122-K140 PolarHBondContact O-NZ 2.88Å; A122-I142 HydrophobicContact CB-CD1 4.27Å; A122-T161 HydrophobicContact CB-CG2 4.22Å; A122-E165 HydrophobicContact CB-CB 4.04Å; A122-E165 HydrophobicContact CB-CG 3.88Å; A122-S168 PolarHBondContact O-OG 3.09Å; A122-T169 HydrophobicContact CB-CG2 4.35Å; A122-T169 PolarHBondContact O-OG1 2.91Å |
| 123 | Q | 82.8 | Confident | 74.2 | Confident | 90 Ų | 90 | 71.6 Ų | 71.6 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -79.4 | -17.4 | 177.2 | -72.3 | -179.8 | -20.5 | 0 | 0 | 114.5 | K119 N120 F121 T125 | K119-Q123 WeakPolarHBondContact O-CB 3.14Å; K119-Q123 VanDerWaalsContact O-CG 3.24Å; K119-Q123 WeakPolarHBondContact O-CG 3.22Å; K119-Q123 PolarHBondContact O-N 2.96Å; N120-Q123 PolarHBondContact O-N 3.45Å; F121-Q123 VanDerWaalsContact C-N 3.27Å; F121-Q123 PolarHBondContact O-N 3.17Å; Q123-T125 PolarHBondContact O-N 2.91Å |
| 124 | L | 82.1 | Confident | 73.8 | Confident | 103 Ų | 103 | 75.5 Ų | 75.5 | 54% | 0.539 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -62.6 | 127.1 | 177.7 | -66.9 | 174.3 | 0 | 0 | 0 | 111 | N120 F121 K140 | N120-L124 WeakPolarHBondContact O-CG 3.28Å; N120-L124 PolarHBondContact O-N 2.93Å; F121-L124 HydrophobicContact CD2-CD1 4.12Å; F121-L124 PolarHBondContact O-N 3.38Å; L124-K140 WeakPolarHBondContact O-CE 3.47Å; L124-K140 PolarHBondContact O-NZ 2.96Å |
| 125 | T | 72.3 | Confident | 73.3 | Confident | 142 Ų | 142 | 80.9 Ų | 80.9 | 87% | 0.871 | 45% | 0.453 | S | S | * | . | trans | -82.3 | 138.1 | 177.2 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | Q123 | Q123-T125 PolarHBondContact O-N 2.91Š| ||
| 126 | V | 73.1 | Confident | 73 | Confident | 44 Ų | 44 | 74.4 Ų | 74.4 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | trans | -123.2 | 136.6 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | R99 K140 | R99-V126 HydrophobicContact CG-CG1 4.02Å; R99-V126 VanDerWaalsContact NE-CG1 3.35Å; V126-K140 HydrophobicContact CB-CG 4.48Å; V126-K140 HydrophobicContact CG2-CD 3.51Å; V126-K140 HydrophobicContact CG2-CG 3.55Å | ||
| 127 | A | 63.3 | Low | 72.6 | Confident | 70 Ų | 70 | 71 Ų | 71 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | trans | -70.8 | 145.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R99 T129 | R99-A127 PolarHBondContact NH2-O 2.92Å; A127-T129 PolarHBondContact O-N 2.95Å | ||
| 128 | G | 62.1 | Low | 72.3 | Confident | 39 Ų | 39 | 71 Ų | 71 | 40% | 0.402 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -77.2 | 8.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | C136 | G128-C136 PolarHBondContact O-N 3.1Å; G128-C136 VanDerWaalsContact O-O 3.05Å |
| 129 | T | 62 | Low | 72.3 | Confident | 89 Ų | 89 | 71.3 Ų | 71.3 | 55% | 0.546 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -132.4 | 138.7 | -169.8 | -27.9 | 0 | 0 | 0 | 0 | 110.9 | A127 | A127-T129 PolarHBondContact O-N 2.95Å |
| 130 | H | 61.6 | Low | 72.5 | Confident | 31 Ų | 31 | 67 Ų | 67 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | trans | -65.8 | 153.3 | 165.6 | -94.1 | -87.9 | 0 | 0 | 0 | 110.9 | Y91 L95 N132 G133 K134 | Y91-H130 PolarHBondContact O-CE1 3.31Å; L95-H130 WeakPolarHBondContact CD1-CE1 3.41Å; L95-H130 VanDerWaalsContact CD1-ND1 3.31Å; L95-H130 WeakPolarHBondContact CD1-ND1 3.15Å; H130-N132 PolarHBondContact O-N 2.87Å; H130-N132 VanDerWaalsContact O-N 3.13Å; H130-G133 PolarHBondContact O-N 3.45Å; H130-G133 VanDerWaalsContact O-N 3.09Å; H130-K134 HydrophobicContact CB-CB 4.27Å; H130-K134 WeakPolarHBondContact CB-O 3.4Å; H130-K134 PolarHBondContact N-O 3.42Å | ||
| 131 | P | 59.9 | Low | 72.7 | Confident | 99 Ų | 99 | 62.5 Ų | 62.5 | 64% | 0.643 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -28.9 | 165.3 | -22.9 | 33 | 0 | 0 | 0 | 112.6 | ||
| 132 | N | 60.6 | Low | 73 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 12.6 | -178 | -57.7 | -16.8 | 0 | 0 | 0 | 113.7 | H130 K134 | H130-N132 PolarHBondContact O-N 2.87Å; H130-N132 VanDerWaalsContact O-N 3.13Å; N132-K134 VanDerWaalsContact C-N 3.26Å; N132-K134 PolarHBondContact O-N 3.14Å |
| 133 | G | 60 | Low | 73.4 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 75.9 | -1.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | H130 | H130-G133 PolarHBondContact O-N 3.45Å; H130-G133 VanDerWaalsContact O-N 3.09Å |
| 134 | K | 61.9 | Low | 73.9 | Confident | 146 Ų | 146 | 57.1 Ų | 57.1 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | trans | -72.9 | 143.1 | 172.6 | -68.4 | -173 | 179.5 | -176.6 | 0 | 111.4 | H130 N132 C136 | H130-K134 HydrophobicContact CB-CB 4.27Å; H130-K134 WeakPolarHBondContact CB-O 3.4Å; H130-K134 PolarHBondContact N-O 3.42Å; N132-K134 VanDerWaalsContact C-N 3.26Å; N132-K134 PolarHBondContact O-N 3.14Å; K134-C136 PolarHBondContact O-N 3.27Å | ||
| 135 | P | 63.2 | Low | 74.4 | Confident | 125 Ų | 125 | 53.4 Ų | 53.4 | 81% | 0.812 | 34% | 0.339 | S | S | * | . | B | Isolated β-bridge | trans | -63.3 | 124.8 | 172.7 | 25 | -30.5 | 0 | 0 | 0 | 109.1 | ||
| 136 | C | 69.8 | Low | 75.2 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | trans | -112.3 | 137.3 | 174.8 | -163.9 | 0 | 0 | 0 | 0 | 107.6 | L95 R99 G128 K134 | L95-C136 HydrophobicContact CD1-CB 4.49Å; R99-C136 PolarHBondContact NH1-SG 3.29Å; G128-C136 PolarHBondContact O-N 3.1Å; G128-C136 VanDerWaalsContact O-O 3.05Å; K134-C136 PolarHBondContact O-N 3.27Å | ||
| 137 | P | 75.4 | Confident | 76.1 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 17% | 0.169 | 30% | 0.302 | C | S | . | . | trans | -56 | 134.3 | 177.9 | -23 | 31.4 | 0 | 0 | 0 | 111.1 | L90 R99 F139 | L90-P137 HydrophobicContact CD1-CG 3.51Å; L90-P137 HydrophobicContact CD2-CG 4.01Å; L90-P137 HydrophobicContact CG-CG 3.75Å; R99-P137 PolarHBondContact NH1-O 3.48Å; P137-F139 HydrophobicContact CB-CD1 3.77Å; P137-F139 HydrophobicContact CB-CE1 3.36Å; P137-F139 HydrophobicContact CB-CE2 4.23Å; P137-F139 HydrophobicContact CB-CG 4.37Å; P137-F139 HydrophobicContact CB-CZ 3.6Å; P137-F139 HydrophobicContact CG-CE1 4.39Å; P137-F139 HydrophobicContact CG-CZ 4.29Å; P137-F139 PolarHBondContact O-N 2.69Å | ||
| 138 | P | 79.1 | Confident | 77.4 | Confident | 88 Ų | 88 | 46 Ų | 46 | 57% | 0.571 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -79.8 | 34.3 | -174.6 | 34.8 | -37.8 | 0 | 0 | 0 | 112.4 | ||
| 139 | F | 85.6 | Confident | 78.6 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | trans | -133 | 165.5 | 176.9 | 59.9 | -102.3 | 0 | 0 | 0 | 111.3 | L66 L90 Y91 P137 I141 S168 R170 | L66-F139 HydrophobicContact CB-CE1 4.27Å; L66-F139 HydrophobicContact CB-CE2 4.23Å; L66-F139 HydrophobicContact CB-CZ 3.65Å; L66-F139 HydrophobicContact CD2-CE2 3.87Å; L66-F139 HydrophobicContact CD2-CZ 4.03Å; L90-F139 HydrophobicContact CD2-CE2 3.97Å; L90-F139 HydrophobicContact CD2-CZ 4.09Å; Y91-F139 VanDerWaalsContact OH-CD2 3.29Å; Y91-F139 WeakPolarHBondContact OH-CD2 3.37Å; Y91-F139 WeakPolarHBondContact OH-CE2 3.1Å; Y91-F139 PolarHBondContact OH-O 2.96Å; P137-F139 HydrophobicContact CB-CD1 3.77Å; P137-F139 HydrophobicContact CB-CE1 3.36Å; P137-F139 HydrophobicContact CB-CE2 4.23Å; P137-F139 HydrophobicContact CB-CG 4.37Å; P137-F139 HydrophobicContact CB-CZ 3.6Å; P137-F139 HydrophobicContact CG-CE1 4.39Å; P137-F139 HydrophobicContact CG-CZ 4.29Å; P137-F139 PolarHBondContact O-N 2.69Å; F139-I141 HydrophobicContact CD2-CG1 4.33Å; F139-I141 HydrophobicContact CE2-CD1 4.33Å; F139-I141 HydrophobicContact CE2-CG1 4.17Å; F139-S168 CarbonylContact C-O 3.57Å; F139-S168 VanDerWaalsContact CA-O 3.23Å; F139-S168 WeakPolarHBondContact CA-O 3.49Å; F139-R170 HydrophobicContact CB-CG 4.27Å; F139-R170 HydrophobicContact CD1-CG 4.45Å; F139-R170 HydrophobicContact CD2-CB 4.29Å; F139-R170 HydrophobicContact CD2-CG 3.63Å; F139-R170 HydrophobicContact CE2-CG 4.03Å; F139-R170 HydrophobicContact CG-CG 3.88Å | ||
| 140 | K | 89.8 | Confident | 79.7 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 162.9 | 170.9 | -64.9 | 163.8 | -73.3 | 179 | 0 | 110.2 | R99 F121 A122 L124 V126 S168 T169 R170 | R99-K140 WeakPolarHBondContact O-CA 3.4Å; R99-K140 WeakPolarHBondContact O-CB 3.35Å; F121-K140 HydrophobicContact CD1-CD 4.44Å; F121-K140 HydrophobicContact CE1-CB 3.98Å; F121-K140 HydrophobicContact CE1-CD 4Å; F121-K140 HydrophobicContact CE1-CG 4.38Å; F121-K140 HydrophobicContact CZ-CD 4.27Å; F121-K140 PolarHBondContact O-NZ 3.3Å; A122-K140 PolarHBondContact O-NZ 2.88Å; L124-K140 WeakPolarHBondContact O-CE 3.47Å; L124-K140 PolarHBondContact O-NZ 2.96Å; V126-K140 HydrophobicContact CB-CG 4.48Å; V126-K140 HydrophobicContact CG2-CD 3.51Å; V126-K140 HydrophobicContact CG2-CG 3.55Å; K140-S168 WeakPolarHBondContact CE-O 3.23Å; K140-S168 PolarHBondContact N-O 3.16Å; K140-T169 WeakPolarHBondContact CE-OG1 3.48Å; K140-R170 PolarHBondContact O-N 3.29Å |
| 141 | I | 91.1 | Very high | 80.9 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.6 | 173.1 | -64.8 | 173.3 | 0 | 0 | 0 | 109.6 | L66 A87 L90 Y91 R99 V100 L101 F139 I143 R170 | L66-I141 HydrophobicContact CD2-CD1 4.03Å; A87-I141 HydrophobicContact CB-CD1 4.41Å; L90-I141 HydrophobicContact CD2-CD1 4.13Å; Y91-I141 HydrophobicContact CE2-CB 4.36Å; Y91-I141 HydrophobicContact CE2-CD1 3.76Å; Y91-I141 HydrophobicContact CE2-CG1 3.99Å; Y91-I141 WeakPolarHBondContact OH-CG1 3.25Å; R99-I141 PolarHBondContact O-N 3.31Å; V100-I141 WeakPolarHBondContact CA-O 3.49Å; L101-I141 PolarHBondContact N-O 3.31Å; F139-I141 HydrophobicContact CD2-CG1 4.33Å; F139-I141 HydrophobicContact CE2-CD1 4.33Å; F139-I141 HydrophobicContact CE2-CG1 4.17Å; I141-I143 HydrophobicContact CG2-CD1 4.5Å; I141-I143 HydrophobicContact CG2-CG1 3.81Å; I141-R170 WeakPolarHBondContact CA-O 3.37Å |
| 142 | I | 92.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.6 | 167.7 | -59 | -178.1 | 0 | 0 | 0 | 107.8 | L101 V118 F121 A122 L144 T169 R170 F171 C172 | L101-I142 HydrophobicContact CB-CG1 4.37Å; L101-I142 HydrophobicContact CD2-CG2 4.4Å; L101-I142 CarbonylContact O-C 3.58Å; L101-I142 WeakPolarHBondContact O-CA 3.4Å; V118-I142 HydrophobicContact CG1-CD1 3.83Å; V118-I142 HydrophobicContact CG2-CG2 4.38Å; F121-I142 HydrophobicContact CD1-CD1 3.82Å; F121-I142 HydrophobicContact CD1-CG1 3.67Å; F121-I142 HydrophobicContact CE1-CG1 3.98Å; A122-I142 HydrophobicContact CB-CD1 4.27Å; I142-L144 HydrophobicContact CG2-CD2 3.98Å; I142-L144 HydrophobicContact CG2-CG 4.2Å; I142-T169 HydrophobicContact CD1-CG2 3.58Å; I142-T169 HydrophobicContact CG1-CG2 3.65Å; I142-R170 PolarHBondContact N-O 3.26Å; I142-F171 HydrophobicContact CB-CD1 4.03Å; I142-F171 HydrophobicContact CB-CE1 4.09Å; I142-F171 HydrophobicContact CD1-CE1 3.87Å; I142-F171 HydrophobicContact CD1-CZ 3.94Å; I142-F171 HydrophobicContact CG1-CE1 4.49Å; I142-F171 HydrophobicContact CG2-CD1 4.25Å; I142-F171 HydrophobicContact CG2-CE1 4.21Å; I142-F171 CarbonylContact O-C 3.48Å; I142-F171 WeakPolarHBondContact O-CA 3.36Å; I142-C172 PolarHBondContact O-N 3.48Å |
| 143 | I | 94.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.8 | 177.6 | -51.9 | 172.4 | 0 | 0 | 0 | 107.3 | I83 L84 V100 L101 L103 I141 C172 I174 | I83-I143 HydrophobicContact CB-CD1 4.47Å; I83-I143 HydrophobicContact CG1-CD1 3.75Å; I83-I143 HydrophobicContact CG1-CG1 3.92Å; I83-I143 HydrophobicContact CG2-CD1 3.97Å; I83-I143 HydrophobicContact CG2-CG1 4.45Å; I83-I143 HydrophobicContact CG2-CG2 3.99Å; L84-I143 HydrophobicContact CD2-CD1 3.64Å; L84-I143 HydrophobicContact CG-CD1 4.45Å; V100-I143 HydrophobicContact CG1-CD1 3.74Å; V100-I143 HydrophobicContact CG1-CG1 4.29Å; L101-I143 PolarHBondContact O-N 2.9Å; L103-I143 PolarHBondContact N-O 2.91Å; I141-I143 HydrophobicContact CG2-CD1 4.5Å; I141-I143 HydrophobicContact CG2-CG1 3.81Å; I143-C172 WeakPolarHBondContact CA-O 3.48Å; I143-C172 HydrophobicContact CG1-CB 4.46Å; I143-I174 HydrophobicContact CG2-CD1 3.9Å; I143-I174 HydrophobicContact CG2-CG1 4.48Å |
| 144 | L | 92.1 | Very high | 84.7 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 102.6 | 173.3 | -60.3 | -178.9 | 0 | 0 | 0 | 107.8 | L103 V118 I142 L158 C172 L173 I174 | L103-L144 HydrophobicContact CB-CD2 3.89Å; L103-L144 HydrophobicContact CD1-CD2 3.97Å; L103-L144 HydrophobicContact CG-CD2 4.41Å; L103-L144 WeakPolarHBondContact O-CA 3.36Å; V118-L144 HydrophobicContact CG2-CD2 4.28Å; I142-L144 HydrophobicContact CG2-CD2 3.98Å; I142-L144 HydrophobicContact CG2-CG 4.2Å; L144-L158 HydrophobicContact CD1-CD1 3.82Å; L144-L158 HydrophobicContact CD1-CD2 3.39Å; L144-L158 HydrophobicContact CD1-CG 4.25Å; L144-C172 PolarHBondContact N-O 3.49Å; L144-L173 HydrophobicContact CB-CD2 3.98Å; L144-L173 HydrophobicContact CD1-CD2 3.69Å; L144-L173 HydrophobicContact CG-CD2 4.19Å; L144-I174 PolarHBondContact O-N 3.31Å |
| 145 | D | 92.3 | Very high | 86 | Confident | 26 Ų | 26 | 33.8 Ų | 33.8 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 151.1 | 174.1 | -147.4 | -12.3 | 0 | 0 | 0 | 110.7 | T80 L103 A105 A147 I174 | T80-D145 WeakPolarHBondContact CG2-OD2 3.38Å; T80-D145 PolarHBondContact OG1-OD2 2.9Å; L103-D145 PolarHBondContact O-N 3.4Å; A105-D145 VanDerWaalsContact CB-O 3.24Å; A105-D145 WeakPolarHBondContact CB-O 3.37Å; A105-D145 PolarHBondContact N-O 3.15Å; D145-A147 VanDerWaalsContact C-N 3.26Å; D145-A147 PolarHBondContact O-N 3.04Å; D145-I174 WeakPolarHBondContact OD1-CB 3.42Å; D145-I174 WeakPolarHBondContact OD1-CG2 3.21Å |
| 146 | E | 90.5 | Very high | 87.2 | Confident | 72 Ų | 72 | 30 Ų | 30 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41.7 | -177 | -55.6 | -174.7 | 178.5 | 0 | 0 | 113.7 | S106 D148 S149 I174 | S106-E146 WeakPolarHBondContact CB-OE2 3.39Å; S106-E146 PolarHBondContact OG-OE2 3.29Å; E146-D148 PolarHBondContact O-N 3.26Å; E146-D148 VanDerWaalsContact O-N 3.1Å; E146-S149 WeakPolarHBondContact O-CB 3.27Å; E146-S149 PolarHBondContact O-N 3.14Å; E146-I174 PolarHBondContact N-O 3.5Å |
| 147 | A | 90.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -62.1 | -18.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D145 S149 M150 L173 I174 I181 | D145-A147 VanDerWaalsContact C-N 3.26Å; D145-A147 PolarHBondContact O-N 3.04Å; A147-S149 VanDerWaalsContact C-N 3.26Å; A147-S149 PolarHBondContact O-N 3.32Å; A147-M150 HydrophobicContact CB-SD 4.48Å; A147-M150 WeakPolarHBondContact O-CB 3.25Å; A147-M150 PolarHBondContact O-N 2.97Å; A147-L173 HydrophobicContact CB-CB 4.4Å; A147-I174 WeakPolarHBondContact CB-O 3.5Å; A147-I174 PolarHBondContact N-O 3.37Å; A147-I181 HydrophobicContact CB-CD1 3.96Å; A147-I181 WeakPolarHBondContact O-CD1 3.33Å |
| 148 | D | 90.3 | Very high | 88.5 | Confident | 26 Ų | 26 | 29.9 Ų | 29.9 | 14% | 0.139 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -69.2 | -20.3 | 172.3 | 45.9 | -16.1 | 0 | 0 | 0 | 113.8 | E146 M150 C175 N176 Y177 R180 | E146-D148 PolarHBondContact O-N 3.26Å; E146-D148 VanDerWaalsContact O-N 3.1Å; D148-M150 VanDerWaalsContact C-N 3.27Å; D148-C175 HydrophobicContact CB-CB 3.8Å; D148-N176 PolarHBondContact OD2-N 3.08Å; D148-Y177 PolarHBondContact OD2-N 3.46Å; D148-R180 HydrophobicContact CB-CB 3.61Å; D148-R180 HydrophobicContact CB-CG 4.15Å |
| 149 | S | 88.5 | Confident | 89 | Confident | 74 Ų | 74 | 30 Ų | 30 | 52% | 0.517 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -80.5 | -7.3 | 172.9 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | E146 A147 | E146-S149 WeakPolarHBondContact O-CB 3.27Å; E146-S149 PolarHBondContact O-N 3.14Å; A147-S149 VanDerWaalsContact C-N 3.26Å; A147-S149 PolarHBondContact O-N 3.32Å |
| 150 | M | 85.8 | Confident | 89.1 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -74.6 | 137.7 | 178.2 | -66.3 | -177.2 | 67.5 | 0 | 0 | 112.1 | A105 I114 A147 D148 A154 Q155 | A105-M150 HydrophobicContact CB-CG 3.55Å; A105-M150 HydrophobicContact CB-SD 4.01Å; I114-M150 HydrophobicContact CD1-CE 4.35Å; I114-M150 HydrophobicContact CG2-CE 4.26Å; A147-M150 HydrophobicContact CB-SD 4.48Å; A147-M150 WeakPolarHBondContact O-CB 3.25Å; A147-M150 PolarHBondContact O-N 2.97Å; D148-M150 VanDerWaalsContact C-N 3.27Å; M150-A154 HydrophobicContact CE-CB 3.71Å; M150-Q155 HydrophobicContact CB-CG 3.81Å; M150-Q155 PolarHBondContact O-NE2 3.14Å |
| 151 | T | 86.8 | Confident | 89 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | trans | -66 | 147.5 | 171.7 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | P153 A154 Q155 | T151-P153 VanDerWaalsContact C-CD 3.43Å; T151-P153 VanDerWaalsContact C-N 3.31Å; T151-A154 WeakPolarHBondContact O-CB 3.35Å; T151-A154 PolarHBondContact O-N 2.71Å; T151-Q155 PolarHBondContact O-N 3.4Å; T151-Q155 VanDerWaalsContact O-N 3.1Å | ||
| 152 | A | 87.1 | Confident | 88.9 | Confident | 60 Ų | 60 | 39.1 Ų | 39.1 | 50% | 0.496 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -53.8 | -38.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A154 Q155 A156 I182 | A152-A154 PolarHBondContact O-N 2.98Å; A152-Q155 PolarHBondContact O-N 3.32Å; A152-A156 WeakPolarHBondContact O-CB 3.43Å; A152-A156 PolarHBondContact O-N 3.27Å; A152-I182 HydrophobicContact CB-CG2 4.45Å |
| 153 | P | 86.7 | Confident | 88.7 | Confident | 85 Ų | 85 | 42.8 Ų | 42.8 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.4 | -37 | 173.3 | -24.5 | 35.7 | 0 | 0 | 0 | 113.9 | T151 A156 A157 | T151-P153 VanDerWaalsContact C-CD 3.43Å; T151-P153 VanDerWaalsContact C-N 3.31Å; P153-A156 PolarHBondContact O-N 3.12Å; P153-A157 PolarHBondContact O-N 3.29Å |
| 154 | A | 85.3 | Confident | 88.5 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I111 M150 T151 A152 A156 A157 L158 | I111-A154 HydrophobicContact CB-CB 4.5Å; I111-A154 HydrophobicContact CG1-CB 4.2Å; I111-A154 HydrophobicContact CG2-CB 4.07Å; M150-A154 HydrophobicContact CE-CB 3.71Å; T151-A154 WeakPolarHBondContact O-CB 3.35Å; T151-A154 PolarHBondContact O-N 2.71Å; A152-A154 PolarHBondContact O-N 2.98Å; A154-A156 VanDerWaalsContact C-N 3.33Å; A154-A156 PolarHBondContact O-N 3.41Å; A154-A157 PolarHBondContact O-N 3.26Å; A154-L158 PolarHBondContact O-N 2.61Å |
| 155 | Q | 89.5 | Confident | 88.2 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 174.7 | -64.6 | -173.1 | 31.3 | 0 | 0 | 111.9 | M150 T151 A152 A157 L158 R159 R180 I182 L185 | M150-Q155 HydrophobicContact CB-CG 3.81Å; M150-Q155 PolarHBondContact O-NE2 3.14Å; T151-Q155 PolarHBondContact O-N 3.4Å; T151-Q155 VanDerWaalsContact O-N 3.1Å; A152-Q155 PolarHBondContact O-N 3.32Å; Q155-A157 VanDerWaalsContact C-N 3.34Å; Q155-A157 PolarHBondContact O-N 3.47Å; Q155-L158 WeakPolarHBondContact O-CB 3.42Å; Q155-L158 PolarHBondContact O-N 2.91Å; Q155-R159 PolarHBondContact O-N 3.46Å; Q155-R180 PolarHBondContact NE2-O 3.3Å; Q155-I182 HydrophobicContact CB-CD1 3.8Å; Q155-I182 HydrophobicContact CB-CG1 3.99Å; Q155-I182 HydrophobicContact CB-CG2 4.38Å; Q155-L185 HydrophobicContact CB-CD1 3.73Å; Q155-L185 HydrophobicContact CG-CD1 4.18Å |
| 156 | A | 87.8 | Confident | 87.8 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 37% | 0.372 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65 | -36 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A152 P153 A154 I182 | A152-A156 WeakPolarHBondContact O-CB 3.43Å; A152-A156 PolarHBondContact O-N 3.27Å; P153-A156 PolarHBondContact O-N 3.12Å; A154-A156 VanDerWaalsContact C-N 3.33Å; A154-A156 PolarHBondContact O-N 3.41Å; A156-I182 HydrophobicContact CB-CD1 4.47Å |
| 157 | A | 85.3 | Confident | 87.5 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P153 A154 Q155 R159 R160 | P153-A157 PolarHBondContact O-N 3.29Å; A154-A157 PolarHBondContact O-N 3.26Å; Q155-A157 VanDerWaalsContact C-N 3.34Å; Q155-A157 PolarHBondContact O-N 3.47Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.98Å; A157-R160 PolarHBondContact O-N 3.2Å |
| 158 | L | 87.8 | Confident | 87.3 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 177.1 | -178.4 | 67.9 | 0 | 0 | 0 | 111.7 | V118 L144 A154 Q155 R160 T161 M162 F171 L173 L185 | V118-L158 HydrophobicContact CG1-CD1 3.95Å; L144-L158 HydrophobicContact CD1-CD1 3.82Å; L144-L158 HydrophobicContact CD1-CD2 3.39Å; L144-L158 HydrophobicContact CD1-CG 4.25Å; A154-L158 PolarHBondContact O-N 2.61Å; Q155-L158 WeakPolarHBondContact O-CB 3.42Å; Q155-L158 PolarHBondContact O-N 2.91Å; L158-R160 VanDerWaalsContact C-N 3.28Å; L158-R160 PolarHBondContact O-N 2.99Å; L158-T161 WeakPolarHBondContact O-CB 3.44Å; L158-T161 PolarHBondContact O-N 3.44Å; L158-M162 HydrophobicContact CD1-CG 4.41Å; L158-M162 HydrophobicContact CD2-SD 4.16Å; L158-M162 HydrophobicContact CG-CG 4.14Å; L158-M162 HydrophobicContact CG-SD 3.96Å; L158-M162 WeakPolarHBondContact O-CG 3.38Å; L158-M162 PolarHBondContact O-N 3.2Å; L158-F171 HydrophobicContact CD1-CD1 4.16Å; L158-F171 HydrophobicContact CD1-CE1 3.68Å; L158-L173 HydrophobicContact CD2-CD2 4Å; L158-L185 HydrophobicContact CD2-CD1 4.28Å |
| 159 | R | 89.6 | Confident | 87.2 | Confident | 89 Ų | 89 | 60.8 Ų | 60.8 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -49.6 | -46.8 | 177.5 | 180 | -159.7 | 164.2 | -179.7 | -8.3 | 112.5 | Q155 A157 T161 M162 E163 P184 L185 | Q155-R159 PolarHBondContact O-N 3.46Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.98Å; R159-T161 VanDerWaalsContact C-N 3.31Å; R159-T161 PolarHBondContact O-N 3.36Å; R159-M162 PolarHBondContact O-N 3.19Å; R159-E163 IonicContact CZ-OE1 2.64Å; R159-E163 IonicContact NE-OE1 2.9Å; R159-E163 PolarHBondContact NE-OE1 2.82Å; R159-E163 IonicContact NH2-OE1 3.58Å; R159-E163 PolarHBondContact NH2-OE1 2.81Å; R159-E163 WeakPolarHBondContact O-CG 3.45Å; R159-E163 PolarHBondContact O-N 3.26Å; R159-P184 HydrophobicContact CG-CB 4.32Å; R159-L185 HydrophobicContact CB-CD2 3.77Å; R159-L185 HydrophobicContact CG-CD2 4.4Å |
| 160 | R | 86.7 | Confident | 87.4 | Confident | 186 Ų | 186 | 59.1 Ų | 59.1 | 70% | 0.702 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.9 | -39.5 | -179.3 | -65.6 | -177.3 | -175.2 | 175.2 | 2.1 | 111.6 | A157 L158 K164 | A157-R160 PolarHBondContact O-N 3.2Å; L158-R160 VanDerWaalsContact C-N 3.28Å; L158-R160 PolarHBondContact O-N 2.99Å; R160-K164 WeakPolarHBondContact O-CB 3.37Å; R160-K164 PolarHBondContact O-N 3.2Å |
| 161 | T | 88 | Confident | 87.7 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 176.7 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | V118 A122 L158 R159 E163 K164 E165 F171 | V118-T161 HydrophobicContact CG1-CG2 4.19Å; A122-T161 HydrophobicContact CB-CG2 4.22Å; L158-T161 WeakPolarHBondContact O-CB 3.44Å; L158-T161 PolarHBondContact O-N 3.44Å; R159-T161 VanDerWaalsContact C-N 3.31Å; R159-T161 PolarHBondContact O-N 3.36Å; T161-E163 VanDerWaalsContact C-N 3.34Å; T161-E163 PolarHBondContact O-N 2.67Å; T161-K164 PolarHBondContact O-N 3.27Å; T161-E165 HydrophobicContact CG2-CG 4.27Å; T161-E165 WeakPolarHBondContact O-CB 3.41Å; T161-E165 PolarHBondContact O-N 2.84Å; T161-F171 HydrophobicContact CG2-CZ 4.32Å |
| 162 | M | 90.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -41 | 176.4 | -68.1 | -177.5 | 58.7 | 0 | 0 | 112.6 | N68 L158 R159 S166 F171 L185 | N68-M162 HydrophobicContact CB-CE 4.07Å; L158-M162 HydrophobicContact CD1-CG 4.41Å; L158-M162 HydrophobicContact CD2-SD 4.16Å; L158-M162 HydrophobicContact CG-CG 4.14Å; L158-M162 HydrophobicContact CG-SD 3.96Å; L158-M162 WeakPolarHBondContact O-CG 3.38Å; L158-M162 PolarHBondContact O-N 3.2Å; R159-M162 PolarHBondContact O-N 3.19Å; M162-S166 WeakPolarHBondContact O-CB 3.24Å; M162-S166 PolarHBondContact O-N 2.86Å; M162-F171 HydrophobicContact CB-CD2 4.19Å; M162-F171 HydrophobicContact CB-CE2 4.15Å; M162-F171 HydrophobicContact CE-CB 3.81Å; M162-F171 HydrophobicContact CE-CD2 4.33Å; M162-F171 HydrophobicContact CE-CG 4.09Å; M162-F171 HydrophobicContact CG-CB 4.42Å; M162-F171 HydrophobicContact CG-CD1 3.84Å; M162-F171 HydrophobicContact CG-CD2 3.56Å; M162-F171 HydrophobicContact CG-CE1 3.91Å; M162-F171 HydrophobicContact CG-CE2 3.64Å; M162-F171 HydrophobicContact CG-CG 3.66Å; M162-F171 HydrophobicContact CG-CZ 3.81Å; M162-F171 HydrophobicContact SD-CB 4.26Å; M162-F171 HydrophobicContact SD-CD1 4.26Å; M162-F171 HydrophobicContact SD-CD2 4.47Å; M162-F171 HydrophobicContact SD-CG 4.07Å; M162-L185 HydrophobicContact CE-CD2 4.49Å; M162-L185 HydrophobicContact SD-CD2 3.5Å; M162-L185 VanDerWaalsContact SD-CD2 3.5Å |
| 163 | E | 88.1 | Confident | 88.5 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 36% | 0.36 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.4 | -48.6 | 177 | -72.2 | 172.9 | 175.1 | 0 | 0 | 111.3 | R159 T161 S166 R188 | R159-E163 IonicContact CZ-OE1 2.64Å; R159-E163 IonicContact NE-OE1 2.9Å; R159-E163 PolarHBondContact NE-OE1 2.82Å; R159-E163 IonicContact NH2-OE1 3.58Å; R159-E163 PolarHBondContact NH2-OE1 2.81Å; R159-E163 WeakPolarHBondContact O-CG 3.45Å; R159-E163 PolarHBondContact O-N 3.26Å; T161-E163 VanDerWaalsContact C-N 3.34Å; T161-E163 PolarHBondContact O-N 2.67Å; E163-S166 PolarHBondContact O-OG 3.05Å; E163-R188 IonicContact OE1-CZ 2.68Å; E163-R188 IonicContact OE1-NE 2.77Å; E163-R188 PolarHBondContact OE1-NE 3.33Å; E163-R188 IonicContact OE1-NH2 2.93Å; E163-R188 PolarHBondContact OE1-NH2 2.95Å |
| 164 | K | 88.8 | Confident | 88.9 | Confident | 154 Ų | 154 | 48.1 Ų | 48.1 | 67% | 0.67 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.4 | -40.9 | -175.5 | -173.5 | 177.9 | 175.3 | 176 | 0 | 113 | R160 T161 | R160-K164 WeakPolarHBondContact O-CB 3.37Å; R160-K164 PolarHBondContact O-N 3.2Å; T161-K164 PolarHBondContact O-N 3.27Å |
| 165 | E | 86.6 | Confident | 89.3 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 16.1 | -171.8 | -52.8 | -60.3 | 160.2 | 0 | 0 | 113.1 | A122 T161 R167 S168 T169 | A122-E165 HydrophobicContact CB-CB 4.04Å; A122-E165 HydrophobicContact CB-CG 3.88Å; T161-E165 HydrophobicContact CG2-CG 4.27Å; T161-E165 WeakPolarHBondContact O-CB 3.41Å; T161-E165 PolarHBondContact O-N 2.84Å; E165-R167 PolarHBondContact O-N 2.8Å; E165-R167 VanDerWaalsContact O-N 3.09Å; E165-S168 PolarHBondContact O-N 3.39Å; E165-S168 VanDerWaalsContact O-N 3.1Å; E165-S168 PolarHBondContact O-OG 3.11Å; E165-T169 PolarHBondContact O-N 3.23Å |
| 166 | S | 84.6 | Confident | 89.6 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.7 | -178 | 51.7 | 0 | 0 | 0 | 0 | 114.9 | M162 E163 | M162-S166 WeakPolarHBondContact O-CB 3.24Å; M162-S166 PolarHBondContact O-N 2.86Å; E163-S166 PolarHBondContact O-OG 3.05Å |
| 167 | R | 83.3 | Confident | 89.8 | Confident | 233 Ų | 233 | 55.3 Ų | 55.3 | 88% | 0.879 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -35.2 | 178.1 | -66.8 | -176.8 | 178.4 | 178.4 | -0.9 | 113.2 | E165 | E165-R167 PolarHBondContact O-N 2.8Å; E165-R167 VanDerWaalsContact O-N 3.09Å |
| 168 | S | 85.8 | Confident | 90.2 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -19.5 | -172.1 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | A122 F139 K140 E165 | A122-S168 PolarHBondContact O-OG 3.09Å; F139-S168 CarbonylContact C-O 3.57Å; F139-S168 VanDerWaalsContact CA-O 3.23Å; F139-S168 WeakPolarHBondContact CA-O 3.49Å; K140-S168 WeakPolarHBondContact CE-O 3.23Å; K140-S168 PolarHBondContact N-O 3.16Å; E165-S168 PolarHBondContact O-N 3.39Å; E165-S168 VanDerWaalsContact O-N 3.1Å; E165-S168 PolarHBondContact O-OG 3.11Å |
| 169 | T | 89.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 128.6 | -168.6 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | A122 K140 I142 E165 F171 | A122-T169 HydrophobicContact CB-CG2 4.35Å; A122-T169 PolarHBondContact O-OG1 2.91Å; K140-T169 WeakPolarHBondContact CE-OG1 3.48Å; I142-T169 HydrophobicContact CD1-CG2 3.58Å; I142-T169 HydrophobicContact CG1-CG2 3.65Å; E165-T169 PolarHBondContact O-N 3.23Å; T169-F171 HydrophobicContact CG2-CD2 4.38Å; T169-F171 HydrophobicContact CG2-CE2 3.87Å; T169-F171 HydrophobicContact CG2-CZ 4.21Å |
| 170 | R | 91.8 | Very high | 90.6 | Very high | 40 Ų | 40 | 65.4 Ų | 65.4 | 15% | 0.151 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141.3 | 171 | -55.5 | -58.6 | -179.8 | 122.7 | 0.7 | 109.3 | D65 L66 F139 K140 I141 I142 | D65-R170 IonicContact OD1-CZ 3.2Å; D65-R170 VanDerWaalsContact OD1-CZ 3.29Å; D65-R170 IonicContact OD1-NH1 3.03Å; D65-R170 PolarHBondContact OD1-NH1 3.48Å; D65-R170 IonicContact OD1-NH2 3.58Å; D65-R170 PolarHBondContact OD1-NH2 3.4Å; L66-R170 WeakPolarHBondContact O-CD 3.12Å; L66-R170 VanDerWaalsContact O-CG 3.26Å; L66-R170 WeakPolarHBondContact O-CG 3.29Å; L66-R170 PolarHBondContact O-NE 3.36Å; L66-R170 PolarHBondContact O-NH1 3.29Å; F139-R170 HydrophobicContact CB-CG 4.27Å; F139-R170 HydrophobicContact CD1-CG 4.45Å; F139-R170 HydrophobicContact CD2-CB 4.29Å; F139-R170 HydrophobicContact CD2-CG 3.63Å; F139-R170 HydrophobicContact CE2-CG 4.03Å; F139-R170 HydrophobicContact CG-CG 3.88Å; K140-R170 PolarHBondContact O-N 3.29Å; I141-R170 WeakPolarHBondContact CA-O 3.37Å; I142-R170 PolarHBondContact N-O 3.26Å |
| 171 | F | 93.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.5 | -179.4 | -71.7 | -101.2 | 0 | 0 | 0 | 110.2 | N68 L69 V118 I142 L158 T161 M162 T169 | N68-F171 CarbonylContact C-O 3.51Å; N68-F171 VanDerWaalsContact CA-O 3.28Å; N68-F171 WeakPolarHBondContact CA-O 3.3Å; N68-F171 HydrophobicContact CB-CB 4.46Å; N68-F171 PolarHBondContact OD1-N 2.93Å; L69-F171 PolarHBondContact N-O 2.97Å; V118-F171 HydrophobicContact CG1-CE1 3.67Å; V118-F171 HydrophobicContact CG1-CZ 4.02Å; I142-F171 HydrophobicContact CB-CD1 4.03Å; I142-F171 HydrophobicContact CB-CE1 4.09Å; I142-F171 HydrophobicContact CD1-CE1 3.87Å; I142-F171 HydrophobicContact CD1-CZ 3.94Å; I142-F171 HydrophobicContact CG1-CE1 4.49Å; I142-F171 HydrophobicContact CG2-CD1 4.25Å; I142-F171 HydrophobicContact CG2-CE1 4.21Å; I142-F171 CarbonylContact O-C 3.48Å; I142-F171 WeakPolarHBondContact O-CA 3.36Å; L158-F171 HydrophobicContact CD1-CD1 4.16Å; L158-F171 HydrophobicContact CD1-CE1 3.68Å; T161-F171 HydrophobicContact CG2-CZ 4.32Å; M162-F171 HydrophobicContact CB-CD2 4.19Å; M162-F171 HydrophobicContact CB-CE2 4.15Å; M162-F171 HydrophobicContact CE-CB 3.81Å; M162-F171 HydrophobicContact CE-CD2 4.33Å; M162-F171 HydrophobicContact CE-CG 4.09Å; M162-F171 HydrophobicContact CG-CB 4.42Å; M162-F171 HydrophobicContact CG-CD1 3.84Å; M162-F171 HydrophobicContact CG-CD2 3.56Å; M162-F171 HydrophobicContact CG-CE1 3.91Å; M162-F171 HydrophobicContact CG-CE2 3.64Å; M162-F171 HydrophobicContact CG-CG 3.66Å; M162-F171 HydrophobicContact CG-CZ 3.81Å; M162-F171 HydrophobicContact SD-CB 4.26Å; M162-F171 HydrophobicContact SD-CD1 4.26Å; M162-F171 HydrophobicContact SD-CD2 4.47Å; M162-F171 HydrophobicContact SD-CG 4.07Å; T169-F171 HydrophobicContact CG2-CD2 4.38Å; T169-F171 HydrophobicContact CG2-CE2 3.87Å; T169-F171 HydrophobicContact CG2-CZ 4.21Å |
| 172 | C | 94.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 109.5 | 167.4 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | L69 I83 I142 I143 L144 | L69-C172 HydrophobicContact CB-CB 4.26Å; L69-C172 WeakPolarHBondContact O-CA 3.13Å; I83-C172 HydrophobicContact CD1-CB 4.01Å; I83-C172 HydrophobicContact CG1-CB 3.88Å; I142-C172 PolarHBondContact O-N 3.48Å; I143-C172 WeakPolarHBondContact CA-O 3.48Å; I143-C172 HydrophobicContact CG1-CB 4.46Å; L144-C172 PolarHBondContact N-O 3.49Å |
| 173 | L | 95.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.7 | 175.5 | -53.7 | -176.5 | 0 | 0 | 0 | 108.7 | L69 L70 F71 L144 A147 L158 L185 | L69-L173 PolarHBondContact O-N 3.06Å; L70-L173 CarbonylContact C-O 3.47Å; L70-L173 WeakPolarHBondContact CA-O 3.45Å; L70-L173 HydrophobicContact CD1-CB 3.66Å; F71-L173 PolarHBondContact N-O 3.31Å; L144-L173 HydrophobicContact CB-CD2 3.98Å; L144-L173 HydrophobicContact CD1-CD2 3.69Å; L144-L173 HydrophobicContact CG-CD2 4.19Å; A147-L173 HydrophobicContact CB-CB 4.4Å; L158-L173 HydrophobicContact CD2-CD2 4Å; L173-L185 HydrophobicContact CD1-CB 4.32Å; L173-L185 HydrophobicContact CD1-CD1 4.3Å |
| 174 | I | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.6 | 174.3 | -51.3 | 176.1 | 0 | 0 | 0 | 108.2 | F71 K79 T80 I83 I143 L144 D145 E146 A147 | F71-I174 HydrophobicContact CB-CG1 4.34Å; F71-I174 WeakPolarHBondContact O-CA 3.22Å; K79-I174 HydrophobicContact CB-CG2 3.64Å; K79-I174 HydrophobicContact CD-CG2 3.88Å; K79-I174 HydrophobicContact CG-CG2 4.38Å; T80-I174 HydrophobicContact CG2-CD1 4.15Å; I83-I174 HydrophobicContact CG2-CD1 3.89Å; I143-I174 HydrophobicContact CG2-CD1 3.9Å; I143-I174 HydrophobicContact CG2-CG1 4.48Å; L144-I174 PolarHBondContact O-N 3.31Å; D145-I174 WeakPolarHBondContact OD1-CB 3.42Å; D145-I174 WeakPolarHBondContact OD1-CG2 3.21Å; E146-I174 PolarHBondContact N-O 3.5Å; A147-I174 WeakPolarHBondContact CB-O 3.5Å; A147-I174 PolarHBondContact N-O 3.37Å |
| 175 | C | 94.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 165.9 | 174.6 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | F71 Y72 G73 K79 D148 I181 | F71-C175 PolarHBondContact O-N 2.89Å; Y72-C175 VanDerWaalsContact CA-O 3.28Å; Y72-C175 WeakPolarHBondContact CA-O 3.35Å; G73-C175 PolarHBondContact N-O 3.14Å; K79-C175 WeakPolarHBondContact CE-O 3.23Å; D148-C175 HydrophobicContact CB-CB 3.8Å; C175-I181 HydrophobicContact CB-CD1 4.26Å; C175-I181 HydrophobicContact CB-CG1 4.35Å |
| 176 | N | 94.2 | Very high | 92.1 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -88.2 | -39.9 | 168.5 | -63 | -42.7 | 0 | 0 | 0 | 110.5 | G73 K79 D148 | G73-N176 WeakPolarHBondContact O-CA 3.18Å; G73-N176 PolarHBondContact O-OD1 3.24Å; K79-N176 PolarHBondContact NZ-OD1 3.4Å; D148-N176 PolarHBondContact OD2-N 3.08Å |
| 177 | Y | 93.1 | Very high | 92.5 | Very high | 152 Ų | 152 | 57.4 Ų | 57.4 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | trans | -116.3 | 114.3 | -176.8 | -57.2 | -77.8 | 0 | 0 | 0 | 112.2 | D148 S179 R180 | D148-Y177 PolarHBondContact OD2-N 3.46Å; Y177-S179 PolarHBondContact O-N 2.97Å; Y177-R180 PolarHBondContact O-N 3.45Å | ||
| 178 | I | 93.7 | Very high | 92.8 | Very high | 55 Ų | 55 | 50.5 Ų | 50.5 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -63.3 | -29.4 | 175.8 | -168.6 | 163.9 | 0 | 0 | 0 | 112.7 | L70 Y72 R180 I181 T186 K191 | L70-I178 HydrophobicContact CD2-CD1 4.01Å; L70-I178 HydrophobicContact CD2-CG1 4.18Å; Y72-I178 HydrophobicContact CD1-CD1 4.24Å; Y72-I178 HydrophobicContact CD2-CB 4.15Å; Y72-I178 HydrophobicContact CD2-CG2 4.38Å; Y72-I178 HydrophobicContact CE1-CD1 4.19Å; Y72-I178 HydrophobicContact CE2-CG2 4.46Å; Y72-I178 HydrophobicContact CG-CB 4.23Å; I178-R180 PolarHBondContact O-N 2.89Å; I178-I181 PolarHBondContact O-N 3.49Å; I178-I181 VanDerWaalsContact O-N 3.07Å; I178-T186 HydrophobicContact CG1-CG2 4.18Å; I178-K191 HydrophobicContact CD1-CD 3.81Å; I178-K191 HydrophobicContact CD1-CG 4.31Å |
| 179 | S | 93.1 | Very high | 93.2 | Very high | 103 Ų | 103 | 49.3 Ų | 49.3 | 72% | 0.72 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -65.2 | -17.7 | 178.8 | 55 | 0 | 0 | 0 | 0 | 113.9 | Y177 I181 | Y177-S179 PolarHBondContact O-N 2.97Å; S179-I181 VanDerWaalsContact C-N 3.33Å |
| 180 | R | 91.8 | Very high | 93.3 | Very high | 173 Ų | 173 | 51.5 Ų | 51.5 | 65% | 0.653 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -84.9 | -8.5 | 175.8 | -63.3 | -68.4 | -178.1 | 173.8 | -0.6 | 112.9 | D148 Q155 Y177 I178 | D148-R180 HydrophobicContact CB-CB 3.61Å; D148-R180 HydrophobicContact CB-CG 4.15Å; Q155-R180 PolarHBondContact NE2-O 3.3Å; Y177-R180 PolarHBondContact O-N 3.45Å; I178-R180 PolarHBondContact O-N 2.89Å |
| 181 | I | 93.7 | Very high | 93.3 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -98 | 132.3 | 178.2 | -52 | -58.8 | 0 | 0 | 0 | 109.6 | A147 C175 I178 S179 L185 T186 | A147-I181 HydrophobicContact CB-CD1 3.96Å; A147-I181 WeakPolarHBondContact O-CD1 3.33Å; C175-I181 HydrophobicContact CB-CD1 4.26Å; C175-I181 HydrophobicContact CB-CG1 4.35Å; I178-I181 PolarHBondContact O-N 3.49Å; I178-I181 VanDerWaalsContact O-N 3.07Å; S179-I181 VanDerWaalsContact C-N 3.33Å; I181-L185 HydrophobicContact CG2-CB 3.83Å; I181-L185 HydrophobicContact CG2-CD1 4.17Å; I181-T186 HydrophobicContact CB-CG2 3.85Å; I181-T186 HydrophobicContact CG2-CG2 3.63Å |
| 182 | I | 93.4 | Very high | 93.3 | Very high | 44 Ų | 44 | 56.6 Ų | 56.6 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | trans | -63.1 | 140.6 | 179 | 66 | 174.1 | 0 | 0 | 0 | 111.3 | A152 Q155 A156 P184 L185 T186 | A152-I182 HydrophobicContact CB-CG2 4.45Å; Q155-I182 HydrophobicContact CB-CD1 3.8Å; Q155-I182 HydrophobicContact CB-CG1 3.99Å; Q155-I182 HydrophobicContact CB-CG2 4.38Å; A156-I182 HydrophobicContact CB-CD1 4.47Å; I182-P184 VanDerWaalsContact C-N 3.3Å; I182-P184 HydrophobicContact CD1-CB 4.44Å; I182-P184 HydrophobicContact CD1-CG 4.45Å; I182-L185 HydrophobicContact CD1-CD1 4.37Å; I182-L185 HydrophobicContact CD1-CG 4.1Å; I182-L185 HydrophobicContact CG1-CB 4.15Å; I182-L185 HydrophobicContact CG1-CD1 3.96Å; I182-L185 HydrophobicContact CG1-CG 3.73Å; I182-L185 PolarHBondContact O-N 3.23Å; I182-T186 PolarHBondContact O-N 3.45Å | ||
| 183 | E | 93.7 | Very high | 93.1 | Very high | 157 Ų | 157 | 64.3 Ų | 64.3 | 73% | 0.734 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -52.6 | -37 | 179.7 | -173.3 | -179 | -171.3 | 0 | 0 | 114.7 | L185 T186 S187 | E183-L185 PolarHBondContact O-N 2.94Å; E183-T186 WeakPolarHBondContact CA-OG1 3.48Å; E183-T186 PolarHBondContact O-N 2.97Å; E183-T186 PolarHBondContact O-OG1 2.92Å; E183-T186 VanDerWaalsContact O-OG1 3.1Å; E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 3.4Å; E183-S187 PolarHBondContact O-OG 3.41Å |
| 184 | P | 93.1 | Very high | 92.9 | Very high | 40 Ų | 40 | 64.2 Ų | 64.2 | 26% | 0.26 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.5 | -28.6 | 175 | -28.1 | 37.7 | 0 | 0 | 0 | 114.8 | R159 I182 S187 R188 | R159-P184 HydrophobicContact CG-CB 4.32Å; I182-P184 VanDerWaalsContact C-N 3.3Å; I182-P184 HydrophobicContact CD1-CB 4.44Å; I182-P184 HydrophobicContact CD1-CG 4.45Å; P184-S187 WeakPolarHBondContact CA-OG 3.42Å; P184-S187 PolarHBondContact O-OG 2.8Å; P184-S187 VanDerWaalsContact O-OG 3.1Å; P184-R188 VanDerWaalsContact O-CD 3.28Å; P184-R188 WeakPolarHBondContact O-CD 3.38Å; P184-R188 PolarHBondContact O-NH1 3.02Å |
| 185 | L | 92.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -80.6 | -45.8 | 174.9 | -70.7 | -177.9 | 0 | 0 | 0 | 111.1 | Q155 L158 R159 M162 L173 I181 I182 E183 S187 R188 C189 | Q155-L185 HydrophobicContact CB-CD1 3.73Å; Q155-L185 HydrophobicContact CG-CD1 4.18Å; L158-L185 HydrophobicContact CD2-CD1 4.28Å; R159-L185 HydrophobicContact CB-CD2 3.77Å; R159-L185 HydrophobicContact CG-CD2 4.4Å; M162-L185 HydrophobicContact CE-CD2 4.49Å; M162-L185 HydrophobicContact SD-CD2 3.5Å; M162-L185 VanDerWaalsContact SD-CD2 3.5Å; L173-L185 HydrophobicContact CD1-CB 4.32Å; L173-L185 HydrophobicContact CD1-CD1 4.3Å; I181-L185 HydrophobicContact CG2-CB 3.83Å; I181-L185 HydrophobicContact CG2-CD1 4.17Å; I182-L185 HydrophobicContact CD1-CD1 4.37Å; I182-L185 HydrophobicContact CD1-CG 4.1Å; I182-L185 HydrophobicContact CG1-CB 4.15Å; I182-L185 HydrophobicContact CG1-CD1 3.96Å; I182-L185 HydrophobicContact CG1-CG 3.73Å; I182-L185 PolarHBondContact O-N 3.23Å; E183-L185 PolarHBondContact O-N 2.94Å; L185-S187 VanDerWaalsContact C-N 3.28Å; L185-S187 PolarHBondContact O-N 3.36Å; L185-R188 PolarHBondContact O-N 2.99Å; L185-R188 VanDerWaalsContact O-N 3.09Å; L185-C189 PolarHBondContact O-N 3.26Å; L185-C189 PolarHBondContact O-SG 3.39Å |
| 186 | T | 93.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 72.9 Ų | 72.9 | 13% | 0.129 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.2 | -33.9 | -177.7 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | L70 I178 I181 I182 E183 R188 C189 | L70-T186 HydrophobicContact CD2-CG2 3.77Å; I178-T186 HydrophobicContact CG1-CG2 4.18Å; I181-T186 HydrophobicContact CB-CG2 3.85Å; I181-T186 HydrophobicContact CG2-CG2 3.63Å; I182-T186 PolarHBondContact O-N 3.45Å; E183-T186 WeakPolarHBondContact CA-OG1 3.48Å; E183-T186 PolarHBondContact O-N 2.97Å; E183-T186 PolarHBondContact O-OG1 2.92Å; E183-T186 VanDerWaalsContact O-OG1 3.1Å; T186-R188 PolarHBondContact O-N 3.34Å; T186-C189 PolarHBondContact O-N 3.48Å |
| 187 | S | 92.7 | Very high | 91.9 | Very high | 79 Ų | 79 | 70.7 Ų | 70.7 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21 | 175.1 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | E183 P184 L185 | E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 3.4Å; E183-S187 PolarHBondContact O-OG 3.41Å; P184-S187 WeakPolarHBondContact CA-OG 3.42Å; P184-S187 PolarHBondContact O-OG 2.8Å; P184-S187 VanDerWaalsContact O-OG 3.1Å; L185-S187 VanDerWaalsContact C-N 3.28Å; L185-S187 PolarHBondContact O-N 3.36Å |
| 188 | R | 90.8 | Very high | 91.7 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 33% | 0.332 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 2.1 | -178.8 | -70.7 | 166.2 | -179.1 | 54.4 | 10.3 | 113.2 | N68 E163 P184 L185 T186 | N68-R188 WeakPolarHBondContact CB-O 3.23Å; N68-R188 PolarHBondContact ND2-O 3.13Å; E163-R188 IonicContact OE1-CZ 2.68Å; E163-R188 IonicContact OE1-NE 2.77Å; E163-R188 PolarHBondContact OE1-NE 3.33Å; E163-R188 IonicContact OE1-NH2 2.93Å; E163-R188 PolarHBondContact OE1-NH2 2.95Å; P184-R188 VanDerWaalsContact O-CD 3.28Å; P184-R188 WeakPolarHBondContact O-CD 3.38Å; P184-R188 PolarHBondContact O-NH1 3.02Å; L185-R188 PolarHBondContact O-N 2.99Å; L185-R188 VanDerWaalsContact O-N 3.09Å; T186-R188 PolarHBondContact O-N 3.34Å |
| 189 | C | 93.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -122.3 | 140.4 | -177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | N68 L70 L185 T186 K191 | N68-C189 HydrophobicContact CB-CB 4.38Å; N68-C189 CarbonylContact O-C 3.48Å; N68-C189 VanDerWaalsContact O-CA 3.26Å; N68-C189 WeakPolarHBondContact O-CA 3.42Å; L70-C189 HydrophobicContact CB-CB 3.65Å; L185-C189 PolarHBondContact O-N 3.26Å; L185-C189 PolarHBondContact O-SG 3.39Å; T186-C189 PolarHBondContact O-N 3.48Å; C189-K191 PolarHBondContact O-N 2.95Å |
| 190 | S | 92.3 | Very high | 91.2 | Very high | 46 Ų | 46 | 68.1 Ų | 68.1 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 122.2 | 164 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | P67 N68 L70 F192 | P67-S190 VanDerWaalsContact CG-OG 3.27Å; P67-S190 WeakPolarHBondContact CG-OG 3.46Å; N68-S190 PolarHBondContact O-N 3.45Å; L70-S190 PolarHBondContact N-O 2.95Å; S190-F192 WeakPolarHBondContact O-CD2 3.36Å |
| 191 | K | 92.3 | Very high | 91 | Very high | 127 Ų | 127 | 60.7 Ų | 60.7 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.3 | -173.7 | -72.2 | 174.1 | -73 | -177.2 | 0 | 110.5 | L70 Y72 I178 C189 | L70-K191 HydrophobicContact CD2-CG 4.13Å; Y72-K191 HydrophobicContact CE1-CB 4.16Å; I178-K191 HydrophobicContact CD1-CD 3.81Å; I178-K191 HydrophobicContact CD1-CG 4.31Å; C189-K191 PolarHBondContact O-N 2.95Å |
| 192 | F | 92 | Very high | 90.7 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 117.3 | 174.1 | -63.8 | -88.9 | 0 | 0 | 0 | 109.7 | V53 V56 L57 L69 L70 F71 Y72 S190 F194 | V53-F192 HydrophobicContact CB-CD1 4.19Å; V53-F192 HydrophobicContact CG1-CB 4.07Å; V53-F192 HydrophobicContact CG1-CD1 3.69Å; V53-F192 HydrophobicContact CG1-CE1 4.46Å; V53-F192 HydrophobicContact CG1-CG 4.09Å; V53-F192 HydrophobicContact CG2-CB 4.28Å; V53-F192 HydrophobicContact CG2-CD1 4.13Å; V56-F192 HydrophobicContact CB-CE1 3.92Å; V56-F192 HydrophobicContact CG1-CE1 3.61Å; V56-F192 HydrophobicContact CG1-CZ 3.78Å; L57-F192 HydrophobicContact CD2-CZ 4.45Å; L69-F192 HydrophobicContact CD2-CD2 4.3Å; L69-F192 HydrophobicContact CD2-CE2 3.54Å; L69-F192 HydrophobicContact CD2-CZ 4.31Å; L70-F192 PolarHBondContact O-N 2.94Å; F71-F192 HydrophobicContact CD1-CB 3.71Å; F71-F192 AromaticContact CD1-CD2 3.87Å; F71-F192 HydrophobicContact CD1-CD2 3.87Å; F71-F192 HydrophobicContact CD1-CG 4.1Å; F71-F192 HydrophobicContact CE1-CB 3.97Å; F71-F192 AromaticContact CE1-CD2 3.57Å; F71-F192 HydrophobicContact CE1-CD2 3.57Å; F71-F192 HydrophobicContact CE1-CE2 4.31Å; F71-F192 AromaticContact CE1-CG 3.89Å; F71-F192 HydrophobicContact CE1-CG 3.89Å; Y72-F192 VanDerWaalsContact CD1-O 3.25Å; Y72-F192 WeakPolarHBondContact CD1-O 3.46Å; Y72-F192 PolarHBondContact N-O 2.94Å; S190-F192 WeakPolarHBondContact O-CD2 3.36Å; F192-F194 HydrophobicContact CB-CE2 4.12Å |
| 193 | R | 91.8 | Very high | 90.6 | Very high | 162 Ų | 162 | 61.7 Ų | 61.7 | 61% | 0.611 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 116.6 | 177.9 | -173.1 | 177.3 | 177.8 | 174.2 | -0.8 | 109.6 | Y72 | Y72-R193 HydrophobicContact CD2-CG 4.44Å; Y72-R193 HydrophobicContact CE1-CB 3.92Å; Y72-R193 HydrophobicContact CE2-CB 4.02Å; Y72-R193 HydrophobicContact CE2-CG 3.75Å; Y72-R193 WeakPolarHBondContact O-CA 3.43Å |
| 194 | F | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -88 | 115.3 | 170.7 | -73.3 | -105.1 | 0 | 0 | 0 | 108.8 | Q50 V53 F71 Y72 G73 P74 K79 T82 F192 | Q50-F194 HydrophobicContact CG-CD1 3.81Å; Q50-F194 HydrophobicContact CG-CE1 4.04Å; V53-F194 HydrophobicContact CG1-CE1 4.48Å; V53-F194 HydrophobicContact CG1-CE2 4.13Å; V53-F194 HydrophobicContact CG1-CZ 3.79Å; F71-F194 HydrophobicContact CB-CD2 4.1Å; F71-F194 HydrophobicContact CB-CE2 3.63Å; F71-F194 AromaticContact CD1-CE2 3.85Å; F71-F194 HydrophobicContact CD1-CE2 3.85Å; F71-F194 AromaticContact CD2-CE2 3.7Å; F71-F194 HydrophobicContact CD2-CE2 3.7Å; F71-F194 AromaticContact CD2-CZ 3.79Å; F71-F194 HydrophobicContact CD2-CZ 3.79Å; F71-F194 HydrophobicContact CE1-CE2 4.41Å; F71-F194 HydrophobicContact CE2-CE2 4.27Å; F71-F194 HydrophobicContact CE2-CZ 4.03Å; F71-F194 HydrophobicContact CG-CD2 4.4Å; F71-F194 AromaticContact CG-CE2 3.46Å; F71-F194 HydrophobicContact CG-CE2 3.46Å; F71-F194 VanDerWaalsContact CG-CE2 3.46Å; F71-F194 HydrophobicContact CG-CZ 4.05Å; Y72-F194 PolarHBondContact O-N 3.3Å; G73-F194 WeakPolarHBondContact CA-O 3.42Å; P74-F194 WeakPolarHBondContact CD-O 3.37Å; K79-F194 HydrophobicContact CD-CB 4.48Å; K79-F194 HydrophobicContact CD-CD2 4.46Å; K79-F194 HydrophobicContact CD-CG 4.49Å; K79-F194 HydrophobicContact CG-CB 3.98Å; K79-F194 HydrophobicContact CG-CD1 4.03Å; K79-F194 HydrophobicContact CG-CD2 3.87Å; K79-F194 HydrophobicContact CG-CE2 4.4Å; K79-F194 HydrophobicContact CG-CG 3.68Å; T82-F194 HydrophobicContact CG2-CE1 4.5Å; T82-F194 HydrophobicContact CG2-CZ 4.27Å; T82-F194 WeakPolarHBondContact OG1-CE1 3.48Å; F192-F194 HydrophobicContact CB-CE2 4.12Å | ||
| 195 | K | 89.1 | Confident | 90.3 | Very high | 107 Ų | 107 | 59.7 Ų | 59.7 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 151.7 | 175.7 | -63.4 | 172.4 | -173.8 | 163.4 | 0 | 109.9 | Q50 T77 | Q50-K195 PolarHBondContact NE2-O 2.89Å; Q50-K195 VanDerWaalsContact NE2-O 3.09Å; T77-K195 WeakPolarHBondContact CG2-O 3.33Å |
| 196 | P | 87.3 | Confident | 90.2 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 142.9 | 162.7 | -23.1 | 30.1 | 0 | 0 | 0 | 110.9 | P74 | P74-P196 HydrophobicContact CG-CG 3.99Š|
| 197 | L | 86.3 | Confident | 90.2 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 135 | 178.1 | -66.1 | 166.9 | 0 | 0 | 0 | 109.4 | A48 F49 Q202 L233 | A48-L197 WeakPolarHBondContact O-CD2 3.37Å; F49-L197 HydrophobicContact CB-CD2 4.23Å; L197-Q202 HydrophobicContact CB-CG 3.8Å; L197-Q202 PolarHBondContact O-NE2 3.42Å; L197-L233 HydrophobicContact CD1-CB 3.6Å; L197-L233 HydrophobicContact CD1-CD2 3.98Å; L197-L233 HydrophobicContact CD1-CG 4.36Å |
| 198 | A | 87.8 | Confident | 90.1 | Very high | 45 Ų | 45 | 61.4 Ų | 61.4 | 37% | 0.372 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 149.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q200 I201 Q202 | A198-Q200 VanDerWaalsContact C-N 3.25Å; A198-Q200 PolarHBondContact O-N 3.13Å; A198-I201 HydrophobicContact CB-CD1 3.72Å; A198-I201 PolarHBondContact O-N 3.38Å; A198-I201 VanDerWaalsContact O-N 3.11Å; A198-Q202 PolarHBondContact O-N 3.12Å |
| 199 | S | 88.6 | Confident | 90.2 | Very high | 67 Ų | 67 | 57.2 Ų | 57.2 | 47% | 0.469 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.1 | -40.6 | -172.3 | -55.8 | 0 | 0 | 0 | 0 | 113 | I201 Q202 E203 | S199-I201 PolarHBondContact O-N 2.56Å; S199-Q202 WeakPolarHBondContact O-CB 3.35Å; S199-Q202 PolarHBondContact O-N 3.24Å; S199-E203 WeakPolarHBondContact O-CG 3.38Å; S199-E203 PolarHBondContact O-N 2.93Å |
| 200 | Q | 88.8 | Confident | 90.1 | Very high | 145 Ų | 145 | 56.7 Ų | 56.7 | 68% | 0.678 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58 | -43.7 | 179.1 | -68.1 | 172.8 | -18.9 | 0 | 0 | 112.9 | A198 E203 E204 | A198-Q200 VanDerWaalsContact C-N 3.25Å; A198-Q200 PolarHBondContact O-N 3.13Å; Q200-E203 WeakPolarHBondContact O-CB 3.41Å; Q200-E203 PolarHBondContact O-N 2.85Å; Q200-E204 WeakPolarHBondContact O-CG 3.25Å; Q200-E204 PolarHBondContact O-N 2.76Å |
| 201 | I | 86.4 | Confident | 90 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.087 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.9 | -36.4 | -180 | -60.8 | 118.1 | 0 | 0 | 0 | 111.2 | A48 F49 A198 S199 E203 E204 R205 | A48-I201 HydrophobicContact CB-CG2 3.65Å; F49-I201 HydrophobicContact CB-CB 4.3Å; F49-I201 HydrophobicContact CB-CD1 3.67Å; F49-I201 HydrophobicContact CB-CG1 3.77Å; F49-I201 HydrophobicContact CB-CG2 3.85Å; F49-I201 HydrophobicContact CD1-CD1 3.32Å; F49-I201 HydrophobicContact CD1-CG1 4.32Å; F49-I201 HydrophobicContact CD2-CD1 3.3Å; F49-I201 HydrophobicContact CD2-CG1 3.58Å; F49-I201 HydrophobicContact CE1-CD1 3.61Å; F49-I201 HydrophobicContact CE2-CD1 3.6Å; F49-I201 HydrophobicContact CE2-CG1 4.16Å; F49-I201 HydrophobicContact CG-CD1 3.15Å; F49-I201 HydrophobicContact CG-CG1 3.67Å; F49-I201 HydrophobicContact CZ-CD1 3.73Å; A198-I201 HydrophobicContact CB-CD1 3.72Å; A198-I201 PolarHBondContact O-N 3.38Å; A198-I201 VanDerWaalsContact O-N 3.11Å; S199-I201 PolarHBondContact O-N 2.56Å; I201-E203 VanDerWaalsContact C-N 3.31Å; I201-E204 PolarHBondContact O-N 3.12Å; I201-R205 WeakPolarHBondContact O-CB 3.48Å; I201-R205 PolarHBondContact O-N 3.4Å |
| 202 | Q | 88.8 | Confident | 90 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.4 | -65 | 179.1 | 46.7 | 0 | 0 | 110.2 | L197 A198 S199 R205 L206 V226 | L197-Q202 HydrophobicContact CB-CG 3.8Å; L197-Q202 PolarHBondContact O-NE2 3.42Å; A198-Q202 PolarHBondContact O-N 3.12Å; S199-Q202 WeakPolarHBondContact O-CB 3.35Å; S199-Q202 PolarHBondContact O-N 3.24Å; Q202-R205 PolarHBondContact O-N 3.48Å; Q202-L206 WeakPolarHBondContact O-CB 3.45Å; Q202-L206 WeakPolarHBondContact O-CD1 3.45Å; Q202-L206 WeakPolarHBondContact O-CG 3.37Å; Q202-L206 PolarHBondContact O-N 2.84Å; Q202-V226 HydrophobicContact CB-CG1 4.25Å; Q202-V226 HydrophobicContact CB-CG2 4.11Å |
| 203 | E | 91.1 | Very high | 89.9 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.3 | -53.5 | 174.5 | -70.7 | 175.3 | -166.6 | 0 | 0 | 111.2 | S199 Q200 I201 R205 L206 L207 I222 V226 | S199-E203 WeakPolarHBondContact O-CG 3.38Å; S199-E203 PolarHBondContact O-N 2.93Å; Q200-E203 WeakPolarHBondContact O-CB 3.41Å; Q200-E203 PolarHBondContact O-N 2.85Å; I201-E203 VanDerWaalsContact C-N 3.31Å; E203-R205 VanDerWaalsContact C-N 3.32Å; E203-R205 PolarHBondContact O-N 3.01Å; E203-L206 PolarHBondContact O-N 3.4Å; E203-L206 VanDerWaalsContact O-N 3.16Å; E203-L207 WeakPolarHBondContact O-CB 3.38Å; E203-L207 WeakPolarHBondContact O-CG 3.36Å; E203-L207 PolarHBondContact O-N 3.02Å; E203-I222 HydrophobicContact CB-CG2 4.43Å; E203-I222 HydrophobicContact CG-CG2 4.14Å; E203-V226 HydrophobicContact CG-CB 4.5Å; E203-V226 HydrophobicContact CG-CG2 3.61Å |
| 204 | E | 90.3 | Very high | 89.7 | Confident | 122 Ų | 122 | 61.7 Ų | 61.7 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -53.1 | -48.7 | 178.1 | -74.2 | 173.2 | -176.1 | 0 | 0 | 111.9 | Q200 I201 L206 L207 E208 | Q200-E204 WeakPolarHBondContact O-CG 3.25Å; Q200-E204 PolarHBondContact O-N 2.76Å; I201-E204 PolarHBondContact O-N 3.12Å; E204-L206 PolarHBondContact O-N 2.91Å; E204-L207 PolarHBondContact O-N 3.33Å; E204-E208 WeakPolarHBondContact O-CG 3.34Å; E204-E208 PolarHBondContact O-N 3.24Å |
| 205 | R | 89.8 | Confident | 89.5 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 13% | 0.125 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.9 | -34.9 | -178.7 | -170.8 | 54.7 | 171.8 | -167.2 | -8.6 | 112.9 | Y39 I201 Q202 E203 E208 I209 L233 | Y39-R205 PolarHBondContact O-NH2 3.37Å; Y39-R205 VanDerWaalsContact O-NH2 3.12Å; I201-R205 WeakPolarHBondContact O-CB 3.48Å; I201-R205 PolarHBondContact O-N 3.4Å; Q202-R205 PolarHBondContact O-N 3.48Å; E203-R205 VanDerWaalsContact C-N 3.32Å; E203-R205 PolarHBondContact O-N 3.01Å; R205-E208 IonicContact CZ-OE2 2.75Å; R205-E208 IonicContact NE-OE2 3.04Å; R205-E208 IonicContact NH1-OE2 2.84Å; R205-E208 PolarHBondContact NH1-OE2 2.96Å; R205-I209 WeakPolarHBondContact O-CG1 3.13Å; R205-I209 PolarHBondContact O-N 2.93Å; R205-L233 HydrophobicContact CB-CD1 4.39Å; R205-L233 HydrophobicContact CG-CD1 4.33Å; R205-L233 HydrophobicContact CG-CD2 4.06Å |
| 206 | L | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 175 | -71.3 | 169 | 0 | 0 | 0 | 111.1 | Q202 E203 E204 I209 C210 I222 L225 V226 A236 I237 L240 | Q202-L206 WeakPolarHBondContact O-CB 3.45Å; Q202-L206 WeakPolarHBondContact O-CD1 3.45Å; Q202-L206 WeakPolarHBondContact O-CG 3.37Å; Q202-L206 PolarHBondContact O-N 2.84Å; E203-L206 PolarHBondContact O-N 3.4Å; E203-L206 VanDerWaalsContact O-N 3.16Å; E204-L206 PolarHBondContact O-N 2.91Å; L206-I209 PolarHBondContact O-N 2.55Å; L206-I209 VanDerWaalsContact O-N 3.14Å; L206-C210 PolarHBondContact O-N 3.11Å; L206-C210 PolarHBondContact O-SG 2.98Å; L206-C210 VanDerWaalsContact O-SG 3.32Å; L206-I222 HydrophobicContact CD1-CG2 4.43Å; L206-L225 HydrophobicContact CD1-CB 4.4Å; L206-V226 HydrophobicContact CD1-CG2 3.81Å; L206-A236 HydrophobicContact CD1-CB 4.19Å; L206-A236 HydrophobicContact CD2-CB 4.02Å; L206-I237 HydrophobicContact CD2-CG1 4.23Å; L206-L240 HydrophobicContact CD2-CD2 3.97Å |
| 207 | L | 92.2 | Very high | 89.5 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 175.9 | -68.1 | 169.1 | 0 | 0 | 0 | 111.2 | E203 E204 I209 C210 D211 Y217 I222 | E203-L207 WeakPolarHBondContact O-CB 3.38Å; E203-L207 WeakPolarHBondContact O-CG 3.36Å; E203-L207 PolarHBondContact O-N 3.02Å; E204-L207 PolarHBondContact O-N 3.33Å; L207-I209 PolarHBondContact O-N 3.38Å; L207-C210 WeakPolarHBondContact O-CB 3.31Å; L207-C210 PolarHBondContact O-N 3.46Å; L207-C210 VanDerWaalsContact O-N 3.15Å; L207-D211 PolarHBondContact O-N 3.43Å; L207-Y217 HydrophobicContact CD2-CE2 3.52Å; L207-Y217 WeakPolarHBondContact CD2-OH 3.47Å; L207-I222 HydrophobicContact CD2-CG1 4.45Å |
| 208 | E | 91.5 | Very high | 89.6 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.2 | -37.8 | 174.1 | -72.9 | -178.5 | -171.5 | 0 | 0 | 113.1 | E204 R205 K212 | E204-E208 WeakPolarHBondContact O-CG 3.34Å; E204-E208 PolarHBondContact O-N 3.24Å; R205-E208 IonicContact CZ-OE2 2.75Å; R205-E208 IonicContact NE-OE2 3.04Å; R205-E208 IonicContact NH1-OE2 2.84Å; R205-E208 PolarHBondContact NH1-OE2 2.96Å; E208-K212 WeakPolarHBondContact O-CB 3.3Å; E208-K212 WeakPolarHBondContact O-CD 3.49Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.03Å; E208-K212 VanDerWaalsContact O-N 3.13Å; E208-K212 IonicContact OE2-NZ 3.68Å |
| 209 | I | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.7 | -42.9 | 178.5 | -68.1 | 168.7 | 0 | 0 | 0 | 109.9 | W35 Y39 R205 L206 L207 D211 K212 E213 I237 L240 | W35-I209 HydrophobicContact CE3-CG2 4.13Å; W35-I209 HydrophobicContact CZ3-CG2 4.47Å; Y39-I209 HydrophobicContact CD1-CG1 4.14Å; Y39-I209 HydrophobicContact CD2-CD1 4.17Å; Y39-I209 HydrophobicContact CD2-CG1 3.98Å; Y39-I209 HydrophobicContact CD2-CG2 4.07Å; Y39-I209 HydrophobicContact CE1-CG1 4.43Å; Y39-I209 HydrophobicContact CE2-CG1 4.28Å; Y39-I209 HydrophobicContact CE2-CG2 3.75Å; Y39-I209 HydrophobicContact CG-CD1 4.16Å; Y39-I209 HydrophobicContact CG-CG1 3.91Å; R205-I209 WeakPolarHBondContact O-CG1 3.13Å; R205-I209 PolarHBondContact O-N 2.93Å; L206-I209 PolarHBondContact O-N 2.55Å; L206-I209 VanDerWaalsContact O-N 3.14Å; L207-I209 PolarHBondContact O-N 3.38Å; I209-D211 VanDerWaalsContact C-N 3.29Å; I209-D211 PolarHBondContact O-N 3.43Å; I209-K212 PolarHBondContact O-N 3.41Å; I209-E213 HydrophobicContact CG2-CG 4.33Å; I209-E213 WeakPolarHBondContact O-CB 3.21Å; I209-E213 WeakPolarHBondContact O-CG 3.24Å; I209-E213 PolarHBondContact O-N 3.37Å; I209-I237 HydrophobicContact CD1-CD1 3.71Å; I209-I237 HydrophobicContact CD1-CG1 3.7Å; I209-I237 HydrophobicContact CD1-CG2 4.48Å; I209-L240 HydrophobicContact CB-CD2 4.47Å; I209-L240 HydrophobicContact CG2-CD2 4.03Å |
| 210 | C | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 175 | -71.4 | 0 | 0 | 0 | 0 | 112 | L206 L207 K214 L215 Y217 | L206-C210 PolarHBondContact O-N 3.11Å; L206-C210 PolarHBondContact O-SG 2.98Å; L206-C210 VanDerWaalsContact O-SG 3.32Å; L207-C210 WeakPolarHBondContact O-CB 3.31Å; L207-C210 PolarHBondContact O-N 3.46Å; L207-C210 VanDerWaalsContact O-N 3.15Å; C210-K214 WeakPolarHBondContact O-CA 3.22Å; C210-K214 PolarHBondContact O-N 3.27Å; C210-L215 HydrophobicContact CB-CB 4.43Å; C210-L215 PolarHBondContact O-N 3.25Å; C210-Y217 HydrophobicContact CB-CD1 3.68Å; C210-Y217 HydrophobicContact CB-CE1 3.55Å |
| 211 | D | 91.6 | Very high | 89.6 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 58% | 0.578 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.7 | -42.2 | 178.8 | -69.1 | -17.3 | 0 | 0 | 0 | 111.9 | L207 I209 K214 | L207-D211 PolarHBondContact O-N 3.43Å; I209-D211 VanDerWaalsContact C-N 3.29Å; I209-D211 PolarHBondContact O-N 3.43Å; D211-K214 PolarHBondContact O-N 3.17Å |
| 212 | K | 91.7 | Very high | 89.9 | Confident | 116 Ų | 116 | 66 Ų | 66 | 50% | 0.504 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.6 | -34.5 | 178.5 | -72.6 | 170 | -168 | 160.8 | 0 | 112.7 | Y39 E208 I209 | Y39-K212 HydrophobicContact CD1-CD 4.34Å; Y39-K212 HydrophobicContact CE1-CB 4.16Å; Y39-K212 HydrophobicContact CE1-CD 3.6Å; Y39-K212 WeakPolarHBondContact OH-CB 3.47Å; E208-K212 WeakPolarHBondContact O-CB 3.3Å; E208-K212 WeakPolarHBondContact O-CD 3.49Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.03Å; E208-K212 VanDerWaalsContact O-N 3.13Å; E208-K212 IonicContact OE2-NZ 3.68Å; I209-K212 PolarHBondContact O-N 3.41Å |
| 213 | E | 90.1 | Very high | 90 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 23% | 0.229 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -91.2 | -3.2 | 176.9 | -60.5 | -66.8 | 166.8 | 0 | 0 | 113.1 | W35 K38 Y39 I209 L215 | W35-E213 HydrophobicContact CD2-CG 4.41Å; W35-E213 HydrophobicContact CH2-CB 4.21Å; W35-E213 HydrophobicContact CH2-CG 3.97Å; W35-E213 HydrophobicContact CZ2-CB 4.07Å; W35-E213 HydrophobicContact CZ2-CG 3.57Å; W35-E213 HydrophobicContact CZ3-CG 4.49Å; W35-E213 PolarHBondContact NE1-OE1 3.08Å; K38-E213 IonicContact NZ-OE1 2.7Å; K38-E213 PolarHBondContact NZ-OE1 3.3Å; K38-E213 IonicContact NZ-OE2 3.3Å; Y39-E213 HydrophobicContact CE2-CG 4.26Å; Y39-E213 WeakPolarHBondContact CE2-OE1 3.41Å; Y39-E213 VanDerWaalsContact CZ-OE1 3.32Å; Y39-E213 WeakPolarHBondContact OH-CG 3.35Å; Y39-E213 PolarHBondContact OH-OE1 3.44Å; I209-E213 HydrophobicContact CG2-CG 4.33Å; I209-E213 WeakPolarHBondContact O-CB 3.21Å; I209-E213 WeakPolarHBondContact O-CG 3.24Å; I209-E213 PolarHBondContact O-N 3.37Å; E213-L215 HydrophobicContact CB-CD1 4.19Å; E213-L215 HydrophobicContact CB-CD2 4.32Å; E213-L215 HydrophobicContact CB-CG 3.88Å; E213-L215 PolarHBondContact O-N 2.93Å |
| 214 | K | 88.4 | Confident | 89.9 | Confident | 188 Ų | 188 | 65.1 Ų | 65.1 | 82% | 0.817 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 47.2 | -177.8 | -58.6 | -177.9 | 179.7 | -179.2 | 0 | 113.4 | C210 D211 | C210-K214 WeakPolarHBondContact O-CA 3.22Å; C210-K214 PolarHBondContact O-N 3.27Å; D211-K214 PolarHBondContact O-N 3.17Å |
| 215 | L | 86.7 | Confident | 89.9 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | trans | -83.3 | 144.3 | 180 | -59.1 | 173.7 | 0 | 0 | 0 | 111.6 | W35 C210 E213 L240 A244 I252 | W35-L215 HydrophobicContact CH2-CD1 3.65Å; W35-L215 HydrophobicContact CH2-CD2 4.25Å; W35-L215 HydrophobicContact CH2-CG 4.42Å; W35-L215 HydrophobicContact CZ3-CD1 3.88Å; C210-L215 HydrophobicContact CB-CB 4.43Å; C210-L215 PolarHBondContact O-N 3.25Å; E213-L215 HydrophobicContact CB-CD1 4.19Å; E213-L215 HydrophobicContact CB-CD2 4.32Å; E213-L215 HydrophobicContact CB-CG 3.88Å; E213-L215 PolarHBondContact O-N 2.93Å; L215-L240 HydrophobicContact CD1-CD1 4.39Å; L215-L240 HydrophobicContact CD1-CG 4.38Å; L215-A244 HydrophobicContact CD1-CB 4.09Å; L215-A244 HydrophobicContact CD2-CB 3.71Å; L215-I252 HydrophobicContact CB-CD1 4.49Å; L215-I252 HydrophobicContact CD1-CD1 4.24Å | ||
| 216 | K | 88.1 | Confident | 90 | Very high | 153 Ų | 153 | 58 Ų | 58 | 67% | 0.665 | 29% | 0.288 | S | S | * | . | trans | -89.7 | 123.2 | 166.1 | -64.7 | -180 | -177.4 | 175.7 | 0 | 108.6 | E251 I252 | K216-E251 HydrophobicContact CB-CB 4.26Å; K216-E251 HydrophobicContact CB-CG 4.2Å; K216-I252 PolarHBondContact O-N 3.29Å | ||
| 217 | Y | 88.4 | Confident | 89.9 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -140.1 | 151.9 | -178.2 | 63 | -89.7 | 0 | 0 | 0 | 111 | L207 C210 I222 | L207-Y217 HydrophobicContact CD2-CE2 3.52Å; L207-Y217 WeakPolarHBondContact CD2-OH 3.47Å; C210-Y217 HydrophobicContact CB-CD1 3.68Å; C210-Y217 HydrophobicContact CB-CE1 3.55Å; Y217-I222 HydrophobicContact CD2-CD1 4.05Å; Y217-I222 HydrophobicContact CD2-CG1 3.57Å; Y217-I222 HydrophobicContact CE2-CG1 4.04Å; Y217-I222 HydrophobicContact CG-CD1 4.27Å; Y217-I222 HydrophobicContact CG-CG1 4.27Å |
| 218 | T | 88.5 | Confident | 89.6 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 32% | 0.319 | 32% | 0.316 | S | S | . | . | trans | -94.1 | 146.8 | 171.2 | -49.4 | 0 | 0 | 0 | 0 | 109.6 | A220 S221 I222 E251 I252 | T218-A220 HydrophobicContact CG2-CB 4.23Å; T218-A220 PolarHBondContact O-N 2.71Å; T218-S221 VanDerWaalsContact O-CB 3.32Å; T218-S221 WeakPolarHBondContact O-CB 3.33Å; T218-S221 PolarHBondContact O-N 3.32Å; T218-S221 PolarHBondContact O-OG 3.23Å; T218-I222 PolarHBondContact O-N 3.44Å; T218-E251 PolarHBondContact N-OE1 3.41Å; T218-E251 PolarHBondContact OG1-OE1 2.89Å; T218-I252 PolarHBondContact N-O 3.25Å | ||
| 219 | K | 88.1 | Confident | 89.4 | Confident | 185 Ų | 185 | 60.4 Ų | 60.4 | 80% | 0.804 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -56.7 | -35.8 | 176.6 | -68.3 | -174.3 | 177.8 | -176 | 0 | 113.5 | S221 I222 A223 | K219-S221 PolarHBondContact O-N 3.47Å; K219-I222 PolarHBondContact O-N 3.08Å; K219-A223 PolarHBondContact O-N 2.82Å; K219-A223 VanDerWaalsContact O-N 3.15Å |
| 220 | A | 88.5 | Confident | 89.1 | Confident | 53 Ų | 53 | 68 Ų | 68 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T218 A224 | T218-A220 HydrophobicContact CG2-CB 4.23Å; T218-A220 PolarHBondContact O-N 2.71Å; A220-A224 VanDerWaalsContact O-CB 3.3Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 3.37Å |
| 221 | S | 88.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70 | -42.5 | -179.8 | 88.8 | 0 | 0 | 0 | 0 | 110.8 | T218 K219 A224 L225 I252 I257 | T218-S221 VanDerWaalsContact O-CB 3.32Å; T218-S221 WeakPolarHBondContact O-CB 3.33Å; T218-S221 PolarHBondContact O-N 3.32Å; T218-S221 PolarHBondContact O-OG 3.23Å; K219-S221 PolarHBondContact O-N 3.47Å; S221-A224 PolarHBondContact O-N 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.47Å; S221-L225 PolarHBondContact O-N 2.7Å; S221-I252 VanDerWaalsContact CB-O 3.23Å; S221-I252 WeakPolarHBondContact CB-O 3.37Å; S221-I252 PolarHBondContact OG-O 3.27Å; S221-I257 VanDerWaalsContact CA-CD1 3.48Å; S221-I257 VanDerWaalsContact CB-CD1 3.4Å; S221-I257 WeakPolarHBondContact O-CD1 3.25Å |
| 222 | I | 91 | Very high | 88.8 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.2 | -57.4 | -60.3 | 0 | 0 | 0 | 110.9 | E203 L206 L207 Y217 T218 K219 A224 L225 V226 | E203-I222 HydrophobicContact CB-CG2 4.43Å; E203-I222 HydrophobicContact CG-CG2 4.14Å; L206-I222 HydrophobicContact CD1-CG2 4.43Å; L207-I222 HydrophobicContact CD2-CG1 4.45Å; Y217-I222 HydrophobicContact CD2-CD1 4.05Å; Y217-I222 HydrophobicContact CD2-CG1 3.57Å; Y217-I222 HydrophobicContact CE2-CG1 4.04Å; Y217-I222 HydrophobicContact CG-CD1 4.27Å; Y217-I222 HydrophobicContact CG-CG1 4.27Å; T218-I222 PolarHBondContact O-N 3.44Å; K219-I222 PolarHBondContact O-N 3.08Å; I222-A224 VanDerWaalsContact C-N 3.34Å; I222-A224 PolarHBondContact O-N 3.34Å; I222-L225 HydrophobicContact CD1-CD1 4.34Å; I222-L225 WeakPolarHBondContact O-CB 3.28Å; I222-L225 PolarHBondContact O-N 3.05Å; I222-V226 HydrophobicContact CG2-CG2 4.48Å; I222-V226 VanDerWaalsContact O-CG2 3.23Å; I222-V226 WeakPolarHBondContact O-CG2 3.41Å; I222-V226 PolarHBondContact O-N 2.72Å |
| 223 | A | 90.9 | Very high | 88.7 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 34% | 0.339 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | K219 V226 Q227 | K219-A223 PolarHBondContact O-N 2.82Å; K219-A223 VanDerWaalsContact O-N 3.15Å; A223-V226 PolarHBondContact O-N 2.93Å; A223-Q227 WeakPolarHBondContact O-CG 3.37Å; A223-Q227 PolarHBondContact O-N 2.84Å |
| 224 | A | 88.9 | Confident | 88.8 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A220 S221 I222 V226 Q227 L228 | A220-A224 VanDerWaalsContact O-CB 3.3Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 3.37Å; S221-A224 PolarHBondContact O-N 3.48Å; I222-A224 VanDerWaalsContact C-N 3.34Å; I222-A224 PolarHBondContact O-N 3.34Å; A224-V226 VanDerWaalsContact C-N 3.32Å; A224-V226 PolarHBondContact O-N 3.4Å; A224-Q227 PolarHBondContact O-N 3.36Å; A224-L228 WeakPolarHBondContact O-CB 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.49Å; A224-L228 PolarHBondContact O-N 2.87Å |
| 225 | L | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 175.5 | -82.2 | 165.8 | 0 | 0 | 0 | 111.9 | L206 S221 I222 L228 S229 F239 L240 I257 | L206-L225 HydrophobicContact CD1-CB 4.4Å; S221-L225 WeakPolarHBondContact O-CG 3.47Å; S221-L225 PolarHBondContact O-N 2.7Å; I222-L225 HydrophobicContact CD1-CD1 4.34Å; I222-L225 WeakPolarHBondContact O-CB 3.28Å; I222-L225 PolarHBondContact O-N 3.05Å; L225-L228 PolarHBondContact O-N 3.29Å; L225-S229 WeakPolarHBondContact O-CB 3.24Å; L225-S229 PolarHBondContact O-N 3.37Å; L225-S229 PolarHBondContact O-OG 2.85Å; L225-F239 HydrophobicContact CD2-CB 3.5Å; L225-F239 HydrophobicContact CD2-CD2 4.42Å; L225-L240 HydrophobicContact CD1-CB 4.17Å; L225-L240 HydrophobicContact CD1-CD1 3.72Å; L225-L240 HydrophobicContact CD1-CG 4.5Å; L225-I257 HydrophobicContact CD1-CD1 3.98Å; L225-I257 HydrophobicContact CD1-CG1 4.38Å; L225-I257 HydrophobicContact CD2-CB 4.49Å; L225-I257 HydrophobicContact CD2-CD1 4.39Å; L225-I257 HydrophobicContact CD2-CG1 4.11Å; L225-I257 HydrophobicContact CD2-CG2 3.55Å; L225-I257 HydrophobicContact CG-CD1 3.7Å; L225-I257 HydrophobicContact CG-CG1 3.97Å; L225-I257 HydrophobicContact CG-CG2 3.79Å |
| 226 | V | 91.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.7 | -43.1 | -177.5 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | Q202 E203 L206 I222 A223 A224 S229 E230 | Q202-V226 HydrophobicContact CB-CG1 4.25Å; Q202-V226 HydrophobicContact CB-CG2 4.11Å; E203-V226 HydrophobicContact CG-CB 4.5Å; E203-V226 HydrophobicContact CG-CG2 3.61Å; L206-V226 HydrophobicContact CD1-CG2 3.81Å; I222-V226 HydrophobicContact CG2-CG2 4.48Å; I222-V226 VanDerWaalsContact O-CG2 3.23Å; I222-V226 WeakPolarHBondContact O-CG2 3.41Å; I222-V226 PolarHBondContact O-N 2.72Å; A223-V226 PolarHBondContact O-N 2.93Å; A224-V226 VanDerWaalsContact C-N 3.32Å; A224-V226 PolarHBondContact O-N 3.4Å; V226-S229 PolarHBondContact O-N 2.73Å; V226-E230 PolarHBondContact O-N 2.81Å |
| 227 | Q | 88.4 | Confident | 89.5 | Confident | 155 Ų | 155 | 49.7 Ų | 49.7 | 72% | 0.724 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.4 | -48.3 | 174.4 | -75 | -175 | -18.7 | 0 | 0 | 111.5 | A223 A224 S229 E230 | A223-Q227 WeakPolarHBondContact O-CG 3.37Å; A223-Q227 PolarHBondContact O-N 2.84Å; A224-Q227 PolarHBondContact O-N 3.36Å; Q227-S229 PolarHBondContact O-N 3.42Å; Q227-E230 PolarHBondContact O-N 3.47Å |
| 228 | L | 87.4 | Confident | 89.7 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.5 | -18.1 | -178.7 | -66.8 | 175.2 | 0 | 0 | 0 | 114.1 | A224 L225 K235 I257 A261 V263 | A224-L228 WeakPolarHBondContact O-CB 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.49Å; A224-L228 PolarHBondContact O-N 2.87Å; L225-L228 PolarHBondContact O-N 3.29Å; L228-K235 WeakPolarHBondContact O-CE 3.32Å; L228-K235 PolarHBondContact O-NZ 3.45Å; L228-I257 HydrophobicContact CD1-CG2 3.75Å; L228-A261 HydrophobicContact CD1-CB 3.8Å; L228-V263 HydrophobicContact CD1-CG2 4.31Å; L228-V263 HydrophobicContact CD2-CB 4.27Å; L228-V263 HydrophobicContact CD2-CG1 3.99Å; L228-V263 HydrophobicContact CD2-CG2 3.46Å; L228-V263 VanDerWaalsContact CD2-CG2 3.46Å; L228-V263 HydrophobicContact CG-CG2 4.43Å |
| 229 | S | 86.4 | Confident | 89.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -86.6 | -17.2 | -179.2 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | L225 V226 Q227 G231 D232 A236 | L225-S229 WeakPolarHBondContact O-CB 3.24Å; L225-S229 PolarHBondContact O-N 3.37Å; L225-S229 PolarHBondContact O-OG 2.85Å; V226-S229 PolarHBondContact O-N 2.73Å; Q227-S229 PolarHBondContact O-N 3.42Å; S229-G231 PolarHBondContact O-N 3.01Å; S229-D232 WeakPolarHBondContact CB-O 3.3Å; S229-D232 WeakPolarHBondContact O-CB 3.5Å; S229-D232 PolarHBondContact O-N 3.43Å; S229-A236 WeakPolarHBondContact OG-CA 3.42Å; S229-A236 WeakPolarHBondContact OG-CB 3.48Å; S229-A236 PolarHBondContact OG-N 3.01Å |
| 230 | E | 85.4 | Confident | 90 | Very high | 160 Ų | 160 | 39.4 Ų | 39.4 | 75% | 0.748 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 32.9 | 173.3 | -62.5 | 176 | -170.2 | 0 | 0 | 114.8 | V226 Q227 | V226-E230 PolarHBondContact O-N 2.81Å; Q227-E230 PolarHBondContact O-N 3.47Å |
| 231 | G | 84.6 | Confident | 90.2 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | -9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S229 | S229-G231 PolarHBondContact O-N 3.01Š|
| 232 | D | 90.8 | Very high | 90.3 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | trans | -93.9 | 99.1 | 179.9 | -171.4 | -31.8 | 0 | 0 | 0 | 111.5 | G76 S229 R234 K235 A236 | G76-D232 WeakPolarHBondContact CA-OD1 3.44Å; S229-D232 WeakPolarHBondContact CB-O 3.3Å; S229-D232 WeakPolarHBondContact O-CB 3.5Å; S229-D232 PolarHBondContact O-N 3.43Å; D232-R234 VanDerWaalsContact C-N 3.28Å; D232-R234 PolarHBondContact O-N 3.41Å; D232-R234 WeakPolarHBondContact OD1-CA 3.37Å; D232-R234 VanDerWaalsContact OD1-CB 3.22Å; D232-R234 WeakPolarHBondContact OD1-CB 3.35Å; D232-R234 PolarHBondContact OD1-N 3.06Å; D232-K235 HydrophobicContact CB-CB 3.9Å; D232-K235 WeakPolarHBondContact O-CB 3.24Å; D232-K235 PolarHBondContact O-N 2.83Å; D232-K235 PolarHBondContact OD1-N 3.44Å; D232-A236 PolarHBondContact O-N 3.18Å; D232-A236 VanDerWaalsContact O-N 3.08Å | ||
| 233 | L | 90.2 | Very high | 90.2 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -27.7 | 178.3 | -177.5 | 65.2 | 0 | 0 | 0 | 113.1 | L197 R205 A236 I237 | L197-L233 HydrophobicContact CD1-CB 3.6Å; L197-L233 HydrophobicContact CD1-CD2 3.98Å; L197-L233 HydrophobicContact CD1-CG 4.36Å; R205-L233 HydrophobicContact CB-CD1 4.39Å; R205-L233 HydrophobicContact CG-CD1 4.33Å; R205-L233 HydrophobicContact CG-CD2 4.06Å; L233-A236 HydrophobicContact CD1-CB 4.49Å; L233-A236 PolarHBondContact O-N 3.5Å; L233-I237 HydrophobicContact CD1-CD1 4.14Å; L233-I237 HydrophobicContact CD1-CG1 4.18Å; L233-I237 HydrophobicContact CD2-CD1 4.38Å; L233-I237 HydrophobicContact CG-CD1 3.83Å; L233-I237 HydrophobicContact CG-CG1 4.3Å; L233-I237 WeakPolarHBondContact O-CB 3.2Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 2.91Å |
| 234 | R | 92.2 | Very high | 90.1 | Very high | 124 Ų | 124 | 38 Ų | 38 | 47% | 0.468 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.9 | -44.3 | 176.3 | 177.5 | -168.7 | -64 | 168.1 | -3.1 | 109.7 | V36 D232 T238 | V36-R234 HydrophobicContact CG1-CG 3.85Å; V36-R234 HydrophobicContact CG2-CG 4.14Å; D232-R234 VanDerWaalsContact C-N 3.28Å; D232-R234 PolarHBondContact O-N 3.41Å; D232-R234 WeakPolarHBondContact OD1-CA 3.37Å; D232-R234 VanDerWaalsContact OD1-CB 3.22Å; D232-R234 WeakPolarHBondContact OD1-CB 3.35Å; D232-R234 PolarHBondContact OD1-N 3.06Å; R234-T238 WeakPolarHBondContact O-CB 3.47Å; R234-T238 PolarHBondContact O-N 2.63Å; R234-T238 PolarHBondContact O-OG1 3.34Å |
| 235 | K | 92.1 | Very high | 90 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.6 | -49 | 174.3 | -172.7 | 177.8 | 178.4 | -162.3 | 0 | 110.4 | L228 D232 I237 T238 F239 | L228-K235 WeakPolarHBondContact O-CE 3.32Å; L228-K235 PolarHBondContact O-NZ 3.45Å; D232-K235 HydrophobicContact CB-CB 3.9Å; D232-K235 WeakPolarHBondContact O-CB 3.24Å; D232-K235 PolarHBondContact O-N 2.83Å; D232-K235 PolarHBondContact OD1-N 3.44Å; K235-I237 PolarHBondContact O-N 3.14Å; K235-T238 PolarHBondContact O-N 3.44Å; K235-T238 VanDerWaalsContact O-N 3.17Å; K235-F239 HydrophobicContact CD-CE2 4.1Å; K235-F239 HydrophobicContact CD-CZ 4.22Å; K235-F239 VanDerWaalsContact CE-CE2 3.45Å; K235-F239 VanDerWaalsContact CE-CZ 3.47Å; K235-F239 HydrophobicContact CG-CD2 4.12Å; K235-F239 HydrophobicContact CG-CE1 4.31Å; K235-F239 HydrophobicContact CG-CE2 3.63Å; K235-F239 HydrophobicContact CG-CZ 3.73Å; K235-F239 WeakPolarHBondContact O-CG 3.38Å; K235-F239 PolarHBondContact O-N 2.8Å |
| 236 | A | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.3 | -50.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L206 S229 D232 L233 T238 F239 L240 | L206-A236 HydrophobicContact CD1-CB 4.19Å; L206-A236 HydrophobicContact CD2-CB 4.02Å; S229-A236 WeakPolarHBondContact OG-CA 3.42Å; S229-A236 WeakPolarHBondContact OG-CB 3.48Å; S229-A236 PolarHBondContact OG-N 3.01Å; D232-A236 PolarHBondContact O-N 3.18Å; D232-A236 VanDerWaalsContact O-N 3.08Å; L233-A236 HydrophobicContact CD1-CB 4.49Å; L233-A236 PolarHBondContact O-N 3.5Å; A236-T238 VanDerWaalsContact C-N 3.31Å; A236-T238 PolarHBondContact O-N 3.07Å; A236-F239 PolarHBondContact O-N 3.44Å; A236-L240 WeakPolarHBondContact O-CB 3.36Å; A236-L240 PolarHBondContact O-N 3.1Å |
| 237 | I | 92.9 | Very high | 89.1 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -37.4 | -179.9 | -67.4 | 170.4 | 0 | 0 | 0 | 111.1 | W35 V36 L206 I209 L233 K235 L240 Q241 | W35-I237 HydrophobicContact CB-CG2 3.67Å; V36-I237 HydrophobicContact CG2-CB 4.3Å; V36-I237 HydrophobicContact CG2-CG2 3.96Å; L206-I237 HydrophobicContact CD2-CG1 4.23Å; I209-I237 HydrophobicContact CD1-CD1 3.71Å; I209-I237 HydrophobicContact CD1-CG1 3.7Å; I209-I237 HydrophobicContact CD1-CG2 4.48Å; L233-I237 HydrophobicContact CD1-CD1 4.14Å; L233-I237 HydrophobicContact CD1-CG1 4.18Å; L233-I237 HydrophobicContact CD2-CD1 4.38Å; L233-I237 HydrophobicContact CG-CD1 3.83Å; L233-I237 HydrophobicContact CG-CG1 4.3Å; L233-I237 WeakPolarHBondContact O-CB 3.2Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 2.91Å; K235-I237 PolarHBondContact O-N 3.14Å; I237-L240 PolarHBondContact O-N 3.04Å; I237-Q241 WeakPolarHBondContact O-CB 3.47Å; I237-Q241 PolarHBondContact O-N 3.49Å |
| 238 | T | 93.3 | Very high | 88 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 36% | 0.356 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66 | -44.9 | 178.6 | -57 | 0 | 0 | 0 | 0 | 110.8 | V36 R234 K235 A236 Q241 S242 | V36-T238 WeakPolarHBondContact CG2-OG1 3.19Å; R234-T238 WeakPolarHBondContact O-CB 3.47Å; R234-T238 PolarHBondContact O-N 2.63Å; R234-T238 PolarHBondContact O-OG1 3.34Å; K235-T238 PolarHBondContact O-N 3.44Å; K235-T238 VanDerWaalsContact O-N 3.17Å; A236-T238 VanDerWaalsContact C-N 3.31Å; A236-T238 PolarHBondContact O-N 3.07Å; T238-Q241 PolarHBondContact O-N 3.39Å; T238-S242 PolarHBondContact O-N 3.47Å; T238-S242 PolarHBondContact O-OG 3.36Å |
| 239 | F | 91.8 | Very high | 87 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.4 | -69.3 | -15 | 0 | 0 | 0 | 112.1 | L225 K235 A236 Q241 S242 A243 I260 A261 | L225-F239 HydrophobicContact CD2-CB 3.5Å; L225-F239 HydrophobicContact CD2-CD2 4.42Å; K235-F239 HydrophobicContact CD-CE2 4.1Å; K235-F239 HydrophobicContact CD-CZ 4.22Å; K235-F239 VanDerWaalsContact CE-CE2 3.45Å; K235-F239 VanDerWaalsContact CE-CZ 3.47Å; K235-F239 HydrophobicContact CG-CD2 4.12Å; K235-F239 HydrophobicContact CG-CE1 4.31Å; K235-F239 HydrophobicContact CG-CE2 3.63Å; K235-F239 HydrophobicContact CG-CZ 3.73Å; K235-F239 WeakPolarHBondContact O-CG 3.38Å; K235-F239 PolarHBondContact O-N 2.8Å; A236-F239 PolarHBondContact O-N 3.44Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 3.08Å; F239-S242 PolarHBondContact O-N 2.92Å; F239-A243 WeakPolarHBondContact O-CB 3.43Å; F239-A243 PolarHBondContact O-N 3.31Å; F239-I260 HydrophobicContact CB-CG2 4.48Å; F239-I260 HydrophobicContact CD1-CG2 3.99Å; F239-I260 HydrophobicContact CG-CG2 4.45Å; F239-A261 HydrophobicContact CD2-CB 4.28Å; F239-A261 HydrophobicContact CE2-CB 3.73Å; F239-A261 HydrophobicContact CZ-CB 3.97Å |
| 240 | L | 91.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 175.5 | -175.6 | 68 | 0 | 0 | 0 | 111.4 | W35 L206 I209 L215 L225 A236 I237 A243 A244 I252 | W35-L240 HydrophobicContact CZ3-CD2 4.34Å; W35-L240 HydrophobicContact CZ3-CG 4.06Å; L206-L240 HydrophobicContact CD2-CD2 3.97Å; I209-L240 HydrophobicContact CB-CD2 4.47Å; I209-L240 HydrophobicContact CG2-CD2 4.03Å; L215-L240 HydrophobicContact CD1-CD1 4.39Å; L215-L240 HydrophobicContact CD1-CG 4.38Å; L225-L240 HydrophobicContact CD1-CB 4.17Å; L225-L240 HydrophobicContact CD1-CD1 3.72Å; L225-L240 HydrophobicContact CD1-CG 4.5Å; A236-L240 WeakPolarHBondContact O-CB 3.36Å; A236-L240 PolarHBondContact O-N 3.1Å; I237-L240 PolarHBondContact O-N 3.04Å; L240-A243 PolarHBondContact O-N 2.85Å; L240-A244 WeakPolarHBondContact O-CB 3.34Å; L240-A244 PolarHBondContact O-N 3.38Å; L240-I252 HydrophobicContact CD1-CD1 4Å |
| 241 | Q | 91.9 | Very high | 86.4 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.7 | -176 | 166.7 | 35.5 | 0 | 0 | 112.4 | W35 I237 T238 F239 A243 R245 | W35-Q241 HydrophobicContact CB-CB 4.34Å; W35-Q241 HydrophobicContact CB-CG 4.47Å; W35-Q241 HydrophobicContact CD2-CB 3.74Å; W35-Q241 HydrophobicContact CD2-CG 3.72Å; W35-Q241 VanDerWaalsContact CE3-CA 3.46Å; W35-Q241 HydrophobicContact CE3-CB 3.44Å; W35-Q241 VanDerWaalsContact CE3-CB 3.44Å; W35-Q241 HydrophobicContact CE3-CG 3.92Å; W35-Q241 HydrophobicContact CG-CB 4.16Å; W35-Q241 HydrophobicContact CG-CG 3.99Å; W35-Q241 VanDerWaalsContact CZ3-CA 3.41Å; W35-Q241 HydrophobicContact CZ3-CB 3.96Å; W35-Q241 HydrophobicContact CZ3-CG 4.41Å; I237-Q241 WeakPolarHBondContact O-CB 3.47Å; I237-Q241 PolarHBondContact O-N 3.49Å; T238-Q241 PolarHBondContact O-N 3.39Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 3.08Å; Q241-A243 VanDerWaalsContact C-N 3.35Å; Q241-R245 VanDerWaalsContact O-CG 3.3Å; Q241-R245 WeakPolarHBondContact O-CG 3.38Å; Q241-R245 PolarHBondContact O-N 3.33Å; Q241-R245 VanDerWaalsContact O-N 3.12Å |
| 242 | S | 91.1 | Very high | 86.4 | Confident | 45 Ų | 45 | 59 Ų | 59 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.5 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | T238 F239 R245 L246 | T238-S242 PolarHBondContact O-N 3.47Å; T238-S242 PolarHBondContact O-OG 3.36Å; F239-S242 PolarHBondContact O-N 2.92Å; S242-R245 PolarHBondContact O-N 3.14Å; S242-L246 WeakPolarHBondContact O-CG 3.38Å; S242-L246 PolarHBondContact O-N 2.67Å |
| 243 | A | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | F239 L240 Q241 R245 L246 N247 I252 I260 | F239-A243 WeakPolarHBondContact O-CB 3.43Å; F239-A243 PolarHBondContact O-N 3.31Å; L240-A243 PolarHBondContact O-N 2.85Å; Q241-A243 VanDerWaalsContact C-N 3.35Å; A243-R245 VanDerWaalsContact C-N 3.3Å; A243-R245 PolarHBondContact O-N 2.95Å; A243-L246 PolarHBondContact O-N 3.24Å; A243-N247 WeakPolarHBondContact O-CB 3.27Å; A243-N247 PolarHBondContact O-N 2.82Å; A243-I252 HydrophobicContact CB-CD1 4.48Å; A243-I252 HydrophobicContact CB-CG2 4Å; A243-I260 HydrophobicContact CB-CD1 3.49Å; A243-I260 VanDerWaalsContact CB-CD1 3.49Å |
| 244 | A | 88.3 | Confident | 86 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 12% | 0.116 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -36 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | W35 L215 L240 N247 A248 I252 | W35-A244 HydrophobicContact CH2-CB 3.49Å; W35-A244 VanDerWaalsContact CH2-CB 3.49Å; W35-A244 HydrophobicContact CZ2-CB 4.42Å; W35-A244 HydrophobicContact CZ3-CB 4.08Å; L215-A244 HydrophobicContact CD1-CB 4.09Å; L215-A244 HydrophobicContact CD2-CB 3.71Å; L240-A244 WeakPolarHBondContact O-CB 3.34Å; L240-A244 PolarHBondContact O-N 3.38Å; A244-N247 CarbonylContact O-C 3.56Å; A244-A248 WeakPolarHBondContact O-CA 3.39Å; A244-A248 PolarHBondContact O-N 3.38Å; A244-I252 HydrophobicContact CB-CD1 4.31Å |
| 245 | R | 87.3 | Confident | 85.6 | Confident | 153 Ų | 153 | 62.8 Ų | 62.8 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -73.3 | -37.4 | 178.7 | -73.8 | 176.1 | -177.3 | -161.2 | 5.6 | 112.8 | Q241 S242 A243 | Q241-R245 VanDerWaalsContact O-CG 3.3Å; Q241-R245 WeakPolarHBondContact O-CG 3.38Å; Q241-R245 PolarHBondContact O-N 3.33Å; Q241-R245 VanDerWaalsContact O-N 3.12Å; S242-R245 PolarHBondContact O-N 3.14Å; A243-R245 VanDerWaalsContact C-N 3.3Å; A243-R245 PolarHBondContact O-N 2.95Å |
| 246 | L | 84.9 | Confident | 85.3 | Confident | 126 Ų | 126 | 59.7 Ų | 59.7 | 66% | 0.66 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -71.8 | -35.8 | 177.8 | -71.1 | 171.3 | 0 | 0 | 0 | 111.7 | S242 A243 I260 | S242-L246 WeakPolarHBondContact O-CG 3.38Å; S242-L246 PolarHBondContact O-N 2.67Å; A243-L246 PolarHBondContact O-N 3.24Å; L246-I260 HydrophobicContact CD1-CD1 3.75Å; L246-I260 HydrophobicContact CD1-CG1 3.68Å |
| 247 | N | 79.5 | Confident | 85 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 22% | 0.219 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 43.1 | -177.9 | -66.4 | -47.6 | 0 | 0 | 0 | 112.6 | A243 A244 D249 K250 A256 | A243-N247 WeakPolarHBondContact O-CB 3.27Å; A243-N247 PolarHBondContact O-N 2.82Å; A244-N247 CarbonylContact O-C 3.56Å; N247-D249 PolarHBondContact O-N 3.29Å; N247-K250 HydrophobicContact CB-CB 4.3Å; N247-K250 PolarHBondContact O-N 3.4Å; N247-K250 VanDerWaalsContact O-O 3.07Å; N247-A256 VanDerWaalsContact ND2-CB 3.33Å; N247-A256 WeakPolarHBondContact ND2-CB 3.26Å |
| 248 | A | 65.9 | Low | 84.7 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 65% | 0.645 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -28.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A244 | A244-A248 WeakPolarHBondContact O-CA 3.39Å; A244-A248 PolarHBondContact O-N 3.38Å |
| 249 | D | 65.8 | Low | 84.3 | Confident | 160 Ų | 160 | 66 Ų | 66 | 86% | 0.856 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | 0.5 | 179.3 | -61.1 | -47.2 | 0 | 0 | 0 | 114.6 | N247 | N247-D249 PolarHBondContact O-N 3.29Š|
| 250 | K | 75.1 | Confident | 84 | Confident | 160 Ų | 160 | 66.5 Ų | 66.5 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -117.9 | 156.8 | -173.3 | -68.7 | -176 | -177.5 | 176.9 | 0 | 112 | N247 | N247-K250 HydrophobicContact CB-CB 4.3Å; N247-K250 PolarHBondContact O-N 3.4Å; N247-K250 VanDerWaalsContact O-O 3.07Å |
| 251 | E | 84.1 | Confident | 83.7 | Confident | 94 Ų | 94 | 67.6 Ų | 67.6 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | trans | -63.7 | 138 | 173.1 | -170.6 | 174.6 | 174.6 | 0 | 0 | 110.6 | K216 T218 T253 | K216-E251 HydrophobicContact CB-CB 4.26Å; K216-E251 HydrophobicContact CB-CG 4.2Å; T218-E251 PolarHBondContact N-OE1 3.41Å; T218-E251 PolarHBondContact OG1-OE1 2.89Å; E251-T253 PolarHBondContact O-N 3.15Å | ||
| 252 | I | 84.7 | Confident | 83.3 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 108.4 | 176.4 | -59.2 | 173.5 | 0 | 0 | 0 | 108.5 | L215 K216 T218 S221 L240 A243 A244 I257 | L215-I252 HydrophobicContact CB-CD1 4.49Å; L215-I252 HydrophobicContact CD1-CD1 4.24Å; K216-I252 PolarHBondContact O-N 3.29Å; T218-I252 PolarHBondContact N-O 3.25Å; S221-I252 VanDerWaalsContact CB-O 3.23Å; S221-I252 WeakPolarHBondContact CB-O 3.37Å; S221-I252 PolarHBondContact OG-O 3.27Å; L240-I252 HydrophobicContact CD1-CD1 4Å; A243-I252 HydrophobicContact CB-CD1 4.48Å; A243-I252 HydrophobicContact CB-CG2 4Å; A244-I252 HydrophobicContact CB-CD1 4.31Å; I252-I257 HydrophobicContact CG2-CD1 3.99Å; I252-I257 HydrophobicContact CG2-CG1 4.08Å |
| 253 | T | 86.6 | Confident | 83 | Confident | 57 Ų | 57 | 67.6 Ų | 67.6 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | trans | -87.5 | 162.4 | 174.9 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | E251 Q255 A256 | E251-T253 PolarHBondContact O-N 3.15Å; T253-Q255 VanDerWaalsContact C-N 3.35Å; T253-A256 PolarHBondContact O-N 3.47Å | ||
| 254 | D | 85.7 | Confident | 82.9 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 172.3 | 61.4 | -38.6 | 0 | 0 | 0 | 112.4 | A256 I257 I258 | D254-A256 PolarHBondContact O-N 2.93Å; D254-I257 WeakPolarHBondContact O-CB 3.42Å; D254-I257 PolarHBondContact O-N 2.91Å; D254-I257 VanDerWaalsContact O-N 3.14Å; D254-I258 WeakPolarHBondContact O-CG1 3.33Å; D254-I258 PolarHBondContact O-N 3.42Å |
| 255 | Q | 84.2 | Confident | 82.8 | Confident | 128 Ų | 128 | 69.6 Ų | 69.6 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | 178.8 | -68.2 | 179.5 | -6.3 | 0 | 0 | 112.5 | T253 I257 I258 E259 | T253-Q255 VanDerWaalsContact C-N 3.35Å; Q255-I257 PolarHBondContact O-N 3.08Å; Q255-I258 PolarHBondContact O-N 3.05Å; Q255-E259 WeakPolarHBondContact O-CG 3.34Å; Q255-E259 PolarHBondContact O-N 2.87Å |
| 256 | A | 85.6 | Confident | 82.7 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61 | -35.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N247 T253 D254 I260 | N247-A256 VanDerWaalsContact ND2-CB 3.33Å; N247-A256 WeakPolarHBondContact ND2-CB 3.26Å; T253-A256 PolarHBondContact O-N 3.47Å; D254-A256 PolarHBondContact O-N 2.93Å; A256-I260 WeakPolarHBondContact O-CB 3.46Å; A256-I260 WeakPolarHBondContact O-CD1 3.4Å; A256-I260 WeakPolarHBondContact O-CG1 3.39Å; A256-I260 PolarHBondContact O-N 3Å; A256-I260 VanDerWaalsContact O-N 3.12Å |
| 257 | I | 86.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.4 | -42.9 | 177.9 | -66.3 | 154.3 | 0 | 0 | 0 | 111 | S221 L225 L228 I252 D254 Q255 E259 I260 A261 | S221-I257 VanDerWaalsContact CA-CD1 3.48Å; S221-I257 VanDerWaalsContact CB-CD1 3.4Å; S221-I257 WeakPolarHBondContact O-CD1 3.25Å; L225-I257 HydrophobicContact CD1-CD1 3.98Å; L225-I257 HydrophobicContact CD1-CG1 4.38Å; L225-I257 HydrophobicContact CD2-CB 4.49Å; L225-I257 HydrophobicContact CD2-CD1 4.39Å; L225-I257 HydrophobicContact CD2-CG1 4.11Å; L225-I257 HydrophobicContact CD2-CG2 3.55Å; L225-I257 HydrophobicContact CG-CD1 3.7Å; L225-I257 HydrophobicContact CG-CG1 3.97Å; L225-I257 HydrophobicContact CG-CG2 3.79Å; L228-I257 HydrophobicContact CD1-CG2 3.75Å; I252-I257 HydrophobicContact CG2-CD1 3.99Å; I252-I257 HydrophobicContact CG2-CG1 4.08Å; D254-I257 WeakPolarHBondContact O-CB 3.42Å; D254-I257 PolarHBondContact O-N 2.91Å; D254-I257 VanDerWaalsContact O-N 3.14Å; Q255-I257 PolarHBondContact O-N 3.08Å; I257-E259 VanDerWaalsContact C-N 3.31Å; I257-E259 PolarHBondContact O-N 3.32Å; I257-I260 PolarHBondContact O-N 2.82Å; I257-A261 VanDerWaalsContact O-CB 3.28Å; I257-A261 WeakPolarHBondContact O-CB 3.13Å; I257-A261 PolarHBondContact O-N 3.3Å |
| 258 | I | 85.4 | Confident | 83.3 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 26% | 0.256 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 178.2 | -67.6 | 167.2 | 0 | 0 | 0 | 110.2 | D254 Q255 A261 G262 V263 | D254-I258 WeakPolarHBondContact O-CG1 3.33Å; D254-I258 PolarHBondContact O-N 3.42Å; Q255-I258 PolarHBondContact O-N 3.05Å; I258-A261 PolarHBondContact O-N 3.49Å; I258-G262 PolarHBondContact O-N 3.5Å; I258-V263 HydrophobicContact CG2-CB 4.12Å; I258-V263 HydrophobicContact CG2-CG1 4.25Å; I258-V263 WeakPolarHBondContact CG2-O 3.48Å; I258-V263 PolarHBondContact O-N 3.43Å |
| 259 | E | 84.8 | Confident | 84.4 | Confident | 151 Ų | 151 | 64.9 Ų | 64.9 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 176.2 | -72.7 | 176.5 | -176.7 | 0 | 0 | 112 | Q255 I257 G262 | Q255-E259 WeakPolarHBondContact O-CG 3.34Å; Q255-E259 PolarHBondContact O-N 2.87Å; I257-E259 VanDerWaalsContact C-N 3.31Å; I257-E259 PolarHBondContact O-N 3.32Å; E259-G262 PolarHBondContact O-N 3.32Å |
| 260 | I | 87 | Confident | 85.5 | Confident | 41 Ų | 41 | 60.7 Ų | 60.7 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.2 | -37 | 179.5 | -69.1 | 162.2 | 0 | 0 | 0 | 112 | F239 A243 L246 A256 I257 G262 | F239-I260 HydrophobicContact CB-CG2 4.48Å; F239-I260 HydrophobicContact CD1-CG2 3.99Å; F239-I260 HydrophobicContact CG-CG2 4.45Å; A243-I260 HydrophobicContact CB-CD1 3.49Å; A243-I260 VanDerWaalsContact CB-CD1 3.49Å; L246-I260 HydrophobicContact CD1-CD1 3.75Å; L246-I260 HydrophobicContact CD1-CG1 3.68Å; A256-I260 WeakPolarHBondContact O-CB 3.46Å; A256-I260 WeakPolarHBondContact O-CD1 3.4Å; A256-I260 WeakPolarHBondContact O-CG1 3.39Å; A256-I260 PolarHBondContact O-N 3Å; A256-I260 VanDerWaalsContact O-N 3.12Å; I257-I260 PolarHBondContact O-N 2.82Å; I260-G262 PolarHBondContact O-N 3.27Å |
| 261 | A | 85 | Confident | 86.2 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.7 | -12.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L228 F239 I257 I258 V263 | L228-A261 HydrophobicContact CD1-CB 3.8Å; F239-A261 HydrophobicContact CD2-CB 4.28Å; F239-A261 HydrophobicContact CE2-CB 3.73Å; F239-A261 HydrophobicContact CZ-CB 3.97Å; I257-A261 VanDerWaalsContact O-CB 3.28Å; I257-A261 WeakPolarHBondContact O-CB 3.13Å; I257-A261 PolarHBondContact O-N 3.3Å; I258-A261 PolarHBondContact O-N 3.49Å; A261-V263 HydrophobicContact CB-CB 4.35Å; A261-V263 HydrophobicContact CB-CG2 3.51Å; A261-V263 PolarHBondContact O-N 3.46Å |
| 262 | G | 83.3 | Confident | 86.4 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 23.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I258 E259 I260 | I258-G262 PolarHBondContact O-N 3.5Å; E259-G262 PolarHBondContact O-N 3.32Å; I260-G262 PolarHBondContact O-N 3.27Å |
| 263 | V | 85.3 | Confident | 86.6 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 129.9 | -176.3 | 169 | 0 | 0 | 0 | 0 | 107.5 | L228 I258 A261 | L228-V263 HydrophobicContact CD1-CG2 4.31Å; L228-V263 HydrophobicContact CD2-CB 4.27Å; L228-V263 HydrophobicContact CD2-CG1 3.99Å; L228-V263 HydrophobicContact CD2-CG2 3.46Å; L228-V263 VanDerWaalsContact CD2-CG2 3.46Å; L228-V263 HydrophobicContact CG-CG2 4.43Å; I258-V263 HydrophobicContact CG2-CB 4.12Å; I258-V263 HydrophobicContact CG2-CG1 4.25Å; I258-V263 WeakPolarHBondContact CG2-O 3.48Å; I258-V263 PolarHBondContact O-N 3.43Å; A261-V263 HydrophobicContact CB-CB 4.35Å; A261-V263 HydrophobicContact CB-CG2 3.51Å; A261-V263 PolarHBondContact O-N 3.46Å |
| 264 | I | 86.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 135.5 | 180 | -54.8 | 133.4 | 0 | 0 | 0 | 108.5 | S266 M268 I269 M291 Y296 Q300 I301 Q304 | I264-S266 PolarHBondContact O-N 2.76Å; I264-M268 HydrophobicContact CG2-CB 3.93Å; I264-M268 HydrophobicContact CG2-CG 4.2Å; I264-M268 HydrophobicContact CG2-SD 3.71Å; I264-I269 HydrophobicContact CB-CD1 4.31Å; I264-I269 HydrophobicContact CB-CG1 4.42Å; I264-I269 HydrophobicContact CD1-CD1 4.25Å; I264-I269 HydrophobicContact CG2-CD1 4.01Å; I264-I269 HydrophobicContact CG2-CG1 4.11Å; I264-M291 HydrophobicContact CG2-CE 4.05Å; I264-Y296 HydrophobicContact CB-CD1 4.32Å; I264-Y296 HydrophobicContact CB-CE1 4.41Å; I264-Y296 HydrophobicContact CD1-CG 4.48Å; I264-Y296 HydrophobicContact CG1-CD1 3.42Å; I264-Y296 VanDerWaalsContact CG1-CD1 3.42Å; I264-Y296 HydrophobicContact CG1-CD2 4.12Å; I264-Y296 HydrophobicContact CG1-CE1 3.99Å; I264-Y296 HydrophobicContact CG1-CG 3.5Å; I264-Y296 HydrophobicContact CG2-CE2 4.47Å; I264-Q300 HydrophobicContact CD1-CB 4.15Å; I264-Q300 HydrophobicContact CD1-CG 3.93Å; I264-I301 HydrophobicContact CD1-CB 3.94Å; I264-I301 HydrophobicContact CD1-CG1 3.36Å; I264-I301 HydrophobicContact CG1-CG1 4.41Å; I264-Q304 PolarHBondContact O-NE2 3.06Å; I264-Q304 PolarHBondContact O-OE1 2.76Å |
| 265 | P | 86.7 | Confident | 86.8 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 134.2 | 175.2 | -25.4 | 34.5 | 0 | 0 | 0 | 111.9 | K267 M268 I269 | P265-K267 PolarHBondContact O-N 2.8Å; P265-K267 VanDerWaalsContact O-N 3.12Å; P265-M268 WeakPolarHBondContact O-CB 3.29Å; P265-M268 PolarHBondContact O-N 3.47Å; P265-I269 PolarHBondContact O-N 2.83Å |
| 266 | S | 85 | Confident | 87 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 57% | 0.566 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -52.2 | -39.4 | -178.9 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | I264 M268 I269 D270 | I264-S266 PolarHBondContact O-N 2.76Å; S266-M268 PolarHBondContact O-N 3.38Å; S266-M268 VanDerWaalsContact O-N 3.12Å; S266-I269 PolarHBondContact O-N 2.85Å; S266-I269 VanDerWaalsContact O-N 3.09Å; S266-D270 PolarHBondContact O-N 2.96Å |
| 267 | K | 88.4 | Confident | 86.9 | Confident | 174 Ų | 174 | 53.2 Ų | 53.2 | 76% | 0.757 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -54.6 | -32.9 | 176.2 | -64.2 | -178.7 | -178.5 | 176 | 0 | 113.5 | P265 K271 | P265-K267 PolarHBondContact O-N 2.8Å; P265-K267 VanDerWaalsContact O-N 3.12Å; K267-K271 VanDerWaalsContact O-CB 3.31Å; K267-K271 WeakPolarHBondContact O-CB 3.22Å; K267-K271 PolarHBondContact O-N 2.94Å; K267-K271 VanDerWaalsContact O-N 3.1Å |
| 268 | M | 87.8 | Confident | 86.8 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 21% | 0.207 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -77.3 | -41.3 | 179.8 | -168.7 | -179.4 | -71.9 | 0 | 0 | 111.3 | I264 P265 S266 K271 L272 M291 E294 Y296 | I264-M268 HydrophobicContact CG2-CB 3.93Å; I264-M268 HydrophobicContact CG2-CG 4.2Å; I264-M268 HydrophobicContact CG2-SD 3.71Å; P265-M268 WeakPolarHBondContact O-CB 3.29Å; P265-M268 PolarHBondContact O-N 3.47Å; S266-M268 PolarHBondContact O-N 3.38Å; S266-M268 VanDerWaalsContact O-N 3.12Å; M268-K271 PolarHBondContact O-N 3.43Å; M268-L272 PolarHBondContact O-N 3.43Å; M268-M291 HydrophobicContact CG-CE 4.25Å; M268-M291 HydrophobicContact CG-CG 4.29Å; M268-M291 HydrophobicContact CG-SD 4.41Å; M268-M291 HydrophobicContact SD-CE 4.08Å; M268-M291 HydrophobicContact SD-CG 3.86Å; M268-E294 WeakPolarHBondContact CE-OE2 3.43Å; M268-Y296 HydrophobicContact CE-CE2 3.96Å; M268-Y296 HydrophobicContact SD-CD2 4.25Å; M268-Y296 HydrophobicContact SD-CE2 3.82Å |
| 269 | I | 89.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 173.6 | -60.9 | -61.9 | 0 | 0 | 0 | 110.6 | I264 P265 S266 K271 L272 L273 M291 I301 Q304 L305 C308 | I264-I269 HydrophobicContact CB-CD1 4.31Å; I264-I269 HydrophobicContact CB-CG1 4.42Å; I264-I269 HydrophobicContact CD1-CD1 4.25Å; I264-I269 HydrophobicContact CG2-CD1 4.01Å; I264-I269 HydrophobicContact CG2-CG1 4.11Å; P265-I269 PolarHBondContact O-N 2.83Å; S266-I269 PolarHBondContact O-N 2.85Å; S266-I269 VanDerWaalsContact O-N 3.09Å; I269-K271 VanDerWaalsContact C-N 3.31Å; I269-K271 PolarHBondContact O-N 3.09Å; I269-L272 WeakPolarHBondContact O-CB 3.24Å; I269-L272 PolarHBondContact O-N 3.31Å; I269-L273 HydrophobicContact CG2-CD1 4.08Å; I269-L273 HydrophobicContact CG2-CG 4.44Å; I269-L273 WeakPolarHBondContact O-CG 3.43Å; I269-L273 PolarHBondContact O-N 3.22Å; I269-M291 HydrophobicContact CD1-CE 4.01Å; I269-I301 HydrophobicContact CD1-CG2 4.18Å; I269-Q304 HydrophobicContact CD1-CB 4.33Å; I269-Q304 HydrophobicContact CG1-CB 4.31Å; I269-L305 HydrophobicContact CG2-CD2 3.97Å; I269-C308 HydrophobicContact CG2-CB 4.41Å |
| 270 | D | 88.8 | Confident | 87 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 175.8 | -72.1 | -32.8 | 0 | 0 | 0 | 111.5 | S266 L273 Q274 | S266-D270 PolarHBondContact O-N 2.96Å; D270-L273 PolarHBondContact O-N 3.29Å; D270-Q274 WeakPolarHBondContact O-CB 3.16Å; D270-Q274 VanDerWaalsContact O-CG 3.25Å; D270-Q274 WeakPolarHBondContact O-CG 3.46Å; D270-Q274 PolarHBondContact O-N 3.34Å |
| 271 | K | 89.5 | Confident | 87.2 | Confident | 135 Ų | 135 | 61.9 Ų | 61.9 | 59% | 0.587 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 175.5 | -174.6 | 179.3 | 179.5 | -176.5 | 0 | 111.5 | K267 M268 I269 Q274 I275 | K267-K271 VanDerWaalsContact O-CB 3.31Å; K267-K271 WeakPolarHBondContact O-CB 3.22Å; K267-K271 PolarHBondContact O-N 2.94Å; K267-K271 VanDerWaalsContact O-N 3.1Å; M268-K271 PolarHBondContact O-N 3.43Å; I269-K271 VanDerWaalsContact C-N 3.31Å; I269-K271 PolarHBondContact O-N 3.09Å; K271-Q274 PolarHBondContact O-N 3.09Å; K271-I275 HydrophobicContact CG-CD1 4.18Å; K271-I275 VanDerWaalsContact O-CG1 3.25Å; K271-I275 WeakPolarHBondContact O-CG1 3.47Å; K271-I275 PolarHBondContact O-N 3.25Å |
| 272 | L | 89.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 176 | -178.6 | 67.7 | 0 | 0 | 0 | 110.5 | M268 I269 Q274 I275 C276 L284 A287 V288 M291 I301 L305 | M268-L272 PolarHBondContact O-N 3.43Å; I269-L272 WeakPolarHBondContact O-CB 3.24Å; I269-L272 PolarHBondContact O-N 3.31Å; L272-Q274 PolarHBondContact O-N 3.07Å; L272-I275 WeakPolarHBondContact O-CB 3.03Å; L272-I275 PolarHBondContact O-N 2.93Å; L272-I275 VanDerWaalsContact O-N 3.14Å; L272-C276 PolarHBondContact O-N 3.03Å; L272-C276 PolarHBondContact O-SG 2.96Å; L272-L284 HydrophobicContact CD1-CD1 4.02Å; L272-A287 HydrophobicContact CD1-CB 4.08Å; L272-V288 HydrophobicContact CD1-CG2 4.21Å; L272-M291 HydrophobicContact CB-SD 4.37Å; L272-M291 HydrophobicContact CD1-SD 4.3Å; L272-M291 HydrophobicContact CD2-CE 4.42Å; L272-M291 HydrophobicContact CD2-SD 3.79Å; L272-M291 HydrophobicContact CG-SD 4.37Å; L272-I301 HydrophobicContact CD2-CG2 4.32Å; L272-L305 HydrophobicContact CD2-CD1 4.09Å; L272-L305 HydrophobicContact CD2-CD2 4.21Å |
| 273 | L | 88 | Confident | 87.8 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.6 | -72.6 | 172.8 | 0 | 0 | 0 | 111.6 | I269 D270 I275 C276 F277 L305 C308 I309 | I269-L273 HydrophobicContact CG2-CD1 4.08Å; I269-L273 HydrophobicContact CG2-CG 4.44Å; I269-L273 WeakPolarHBondContact O-CG 3.43Å; I269-L273 PolarHBondContact O-N 3.22Å; D270-L273 PolarHBondContact O-N 3.29Å; L273-I275 PolarHBondContact O-N 3.1Å; L273-C276 WeakPolarHBondContact O-CB 3.33Å; L273-C276 PolarHBondContact O-N 3.34Å; L273-F277 HydrophobicContact CD2-CE2 4.34Å; L273-F277 WeakPolarHBondContact O-CD2 3.19Å; L273-F277 PolarHBondContact O-N 3.2Å; L273-L305 HydrophobicContact CD1-CD2 4.31Å; L273-L305 HydrophobicContact CD2-CD2 3.55Å; L273-L305 HydrophobicContact CG-CD2 3.77Å; L273-C308 HydrophobicContact CD1-CB 3.7Å; L273-I309 HydrophobicContact CD2-CD1 4.41Å; L273-I309 HydrophobicContact CD2-CG1 4.2Å |
| 274 | Q | 88.3 | Confident | 88 | Confident | 132 Ų | 132 | 71 Ų | 71 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.3 | -39.4 | 175.5 | -77.5 | 178.6 | 4 | 0 | 0 | 112.1 | D270 K271 L272 F277 R278 | D270-Q274 WeakPolarHBondContact O-CB 3.16Å; D270-Q274 VanDerWaalsContact O-CG 3.25Å; D270-Q274 WeakPolarHBondContact O-CG 3.46Å; D270-Q274 PolarHBondContact O-N 3.34Å; K271-Q274 PolarHBondContact O-N 3.09Å; L272-Q274 PolarHBondContact O-N 3.07Å; Q274-F277 PolarHBondContact O-N 2.91Å; Q274-R278 PolarHBondContact O-N 3.28Å |
| 275 | I | 88.4 | Confident | 88.3 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 174.7 | -66.4 | 165.5 | 0 | 0 | 0 | 110.7 | K271 L272 L273 F277 G279 K283 L284 A287 | K271-I275 HydrophobicContact CG-CD1 4.18Å; K271-I275 VanDerWaalsContact O-CG1 3.25Å; K271-I275 WeakPolarHBondContact O-CG1 3.47Å; K271-I275 PolarHBondContact O-N 3.25Å; L272-I275 WeakPolarHBondContact O-CB 3.03Å; L272-I275 PolarHBondContact O-N 2.93Å; L272-I275 VanDerWaalsContact O-N 3.14Å; L273-I275 PolarHBondContact O-N 3.1Å; I275-F277 VanDerWaalsContact C-N 3.34Å; I275-F277 PolarHBondContact O-N 2.93Å; I275-G279 WeakPolarHBondContact O-CA 3.49Å; I275-G279 PolarHBondContact O-N 3.06Å; I275-K283 HydrophobicContact CG2-CB 4.02Å; I275-L284 HydrophobicContact CG2-CB 4.1Å; I275-L284 HydrophobicContact CG2-CD1 4.47Å; I275-A287 HydrophobicContact CD1-CB 3.81Å |
| 276 | C | 87.2 | Confident | 88.5 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62 | -39.6 | 175.3 | -63 | 0 | 0 | 0 | 0 | 112.3 | L272 L273 I350 M351 | L272-C276 PolarHBondContact O-N 3.03Å; L272-C276 PolarHBondContact O-SG 2.96Å; L273-C276 WeakPolarHBondContact O-CB 3.33Å; L273-C276 PolarHBondContact O-N 3.34Å; C276-I350 HydrophobicContact CB-CB 4.4Å; C276-I350 HydrophobicContact CB-CG2 3.77Å; C276-M351 VanDerWaalsContact O-CA 3.29Å; C276-M351 WeakPolarHBondContact O-CA 3.28Å; C276-M351 WeakPolarHBondContact O-CB 3.38Å; C276-M351 WeakPolarHBondContact O-CG 3.46Å |
| 277 | F | 84.7 | Confident | 88.8 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 28% | 0.276 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -82.5 | -32.3 | -177.3 | -76.8 | -77.6 | 0 | 0 | 0 | 114.5 | L273 Q274 I275 K312 I314 A354 | L273-F277 HydrophobicContact CD2-CE2 4.34Å; L273-F277 WeakPolarHBondContact O-CD2 3.19Å; L273-F277 PolarHBondContact O-N 3.2Å; Q274-F277 PolarHBondContact O-N 2.91Å; I275-F277 VanDerWaalsContact C-N 3.34Å; I275-F277 PolarHBondContact O-N 2.93Å; F277-K312 HydrophobicContact CE2-CD 4.34Å; F277-I314 HydrophobicContact CE1-CD1 4.15Å; F277-I314 HydrophobicContact CE1-CG1 4.47Å; F277-I314 HydrophobicContact CE2-CD1 4.46Å; F277-I314 HydrophobicContact CZ-CD1 3.53Å; F277-I314 HydrophobicContact CZ-CG1 4.28Å; F277-A354 HydrophobicContact CB-CB 4.43Å; F277-A354 HydrophobicContact CD1-CB 3.3Å; F277-A354 HydrophobicContact CE1-CB 3.69Å; F277-A354 HydrophobicContact CG-CB 4.11Å |
| 278 | R | 84.8 | Confident | 88.9 | Confident | 235 Ų | 235 | 63.7 Ų | 63.7 | 89% | 0.887 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -129.1 | -2.1 | -170.6 | -61.6 | -176.9 | 179.4 | 179 | -0.2 | 114.6 | Q274 | Q274-R278 PolarHBondContact O-N 3.28Å |
| 279 | G | 83.9 | Confident | 89.1 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | trans | -92.1 | -174.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I275 M351 | I275-G279 WeakPolarHBondContact O-CA 3.49Å; I275-G279 PolarHBondContact O-N 3.06Å; G279-M351 WeakPolarHBondContact O-CE 3.36Å | ||
| 280 | T | 90.6 | Very high | 89.1 | Confident | 66 Ų | 66 | 70.3 Ų | 70.3 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | trans | -107.7 | 158.4 | 169.8 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | E282 K283 L284 | T280-E282 VanDerWaalsContact C-N 3.26Å; T280-E282 PolarHBondContact O-N 2.92Å; T280-K283 PolarHBondContact O-N 2.88Å; T280-K283 VanDerWaalsContact O-N 3.09Å; T280-L284 PolarHBondContact O-N 3.22Å; T280-L284 VanDerWaalsContact O-N 3.11Å | ||
| 281 | F | 89.3 | Confident | 89.1 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 45% | 0.452 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57 | -38.2 | 179 | -176.8 | -95.8 | 0 | 0 | 0 | 112.9 | K283 L284 E285 L344 S348 | F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 3.05Å; F281-L284 HydrophobicContact CD2-CD2 4.47Å; F281-L284 WeakPolarHBondContact O-CB 3.42Å; F281-L284 PolarHBondContact O-N 2.97Å; F281-L284 VanDerWaalsContact O-N 3.13Å; F281-E285 PolarHBondContact O-N 3.03Å; F281-L344 HydrophobicContact CE2-CD1 4.17Å; F281-L344 HydrophobicContact CZ-CD1 4.14Å; F281-L344 HydrophobicContact CZ-CD2 4.21Å; F281-L344 HydrophobicContact CZ-CG 4.35Å; F281-S348 WeakPolarHBondContact CE2-OG 3.01Å |
| 282 | E | 90.7 | Very high | 89 | Confident | 147 Ų | 147 | 62.7 Ų | 62.7 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 176.4 | -63.6 | 167.4 | 177.1 | 0 | 0 | 112.3 | T280 L284 E285 V286 | T280-E282 VanDerWaalsContact C-N 3.26Å; T280-E282 PolarHBondContact O-N 2.92Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.39Å; E282-E285 PolarHBondContact O-N 3.35Å; E282-V286 WeakPolarHBondContact O-CG2 3.04Å; E282-V286 PolarHBondContact O-N 2.93Å |
| 283 | K | 90.7 | Very high | 89 | Confident | 129 Ų | 129 | 68.3 Ų | 68.3 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.3 | -34.9 | 176.8 | -71.2 | 179.1 | -178.4 | 176.3 | 0 | 111.3 | I275 T280 F281 A287 | I275-K283 HydrophobicContact CG2-CB 4.02Å; T280-K283 PolarHBondContact O-N 2.88Å; T280-K283 VanDerWaalsContact O-N 3.09Å; F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 3.05Å; K283-A287 WeakPolarHBondContact O-CB 3.49Å; K283-A287 PolarHBondContact O-N 2.84Å |
| 284 | L | 90.2 | Very high | 89 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 175.8 | 176.6 | 67.4 | 0 | 0 | 0 | 111.2 | L272 I275 T280 F281 E282 V286 A287 V288 L344 C347 | L272-L284 HydrophobicContact CD1-CD1 4.02Å; I275-L284 HydrophobicContact CG2-CB 4.1Å; I275-L284 HydrophobicContact CG2-CD1 4.47Å; T280-L284 PolarHBondContact O-N 3.22Å; T280-L284 VanDerWaalsContact O-N 3.11Å; F281-L284 HydrophobicContact CD2-CD2 4.47Å; F281-L284 WeakPolarHBondContact O-CB 3.42Å; F281-L284 PolarHBondContact O-N 2.97Å; F281-L284 VanDerWaalsContact O-N 3.13Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.39Å; L284-V286 VanDerWaalsContact C-N 3.32Å; L284-V286 PolarHBondContact O-N 3.41Å; L284-A287 PolarHBondContact O-N 2.93Å; L284-A287 VanDerWaalsContact O-N 3.14Å; L284-V288 HydrophobicContact CD1-CG2 4.07Å; L284-V288 HydrophobicContact CG-CG2 4.4Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 3.48Å; L284-L344 HydrophobicContact CD2-CD1 4.34Å; L284-L344 HydrophobicContact CG-CD1 4.36Å; L284-C347 HydrophobicContact CD1-CB 3.38Å; L284-C347 HydrophobicContact CD2-CB 3.64Å; L284-C347 HydrophobicContact CG-CB 3.96Å |
| 285 | E | 91.6 | Very high | 89 | Confident | 59 Ų | 59 | 70.3 Ų | 70.3 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.2 | -46 | 178.4 | -167.9 | -171.7 | 158.7 | 0 | 0 | 111.6 | F281 E282 R289 Y340 | F281-E285 PolarHBondContact O-N 3.03Å; E282-E285 PolarHBondContact O-N 3.35Å; E285-R289 VanDerWaalsContact O-CB 3.24Å; E285-R289 WeakPolarHBondContact O-CB 3.31Å; E285-R289 PolarHBondContact O-N 3.14Å; E285-R289 IonicContact OE1-CZ 3.97Å; E285-R289 IonicContact OE1-NH1 2.76Å; E285-R289 IonicContact OE1-NH2 3.6Å; E285-R289 PolarHBondContact OE1-NH2 2.75Å; E285-Y340 WeakPolarHBondContact CG-OH 3.28Å; E285-Y340 PolarHBondContact OE1-OH 2.68Å |
| 286 | V | 92.3 | Very high | 89 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.6 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | E282 L284 R289 N290 | E282-V286 WeakPolarHBondContact O-CG2 3.04Å; E282-V286 PolarHBondContact O-N 2.93Å; L284-V286 VanDerWaalsContact C-N 3.32Å; L284-V286 PolarHBondContact O-N 3.41Å; V286-R289 PolarHBondContact O-N 2.77Å; V286-N290 WeakPolarHBondContact O-CB 3.18Å; V286-N290 PolarHBondContact O-N 2.84Å; V286-N290 PolarHBondContact O-ND2 2.89Å; V286-N290 PolarHBondContact O-OD1 2.91Å |
| 287 | A | 90.3 | Very high | 89.1 | Confident | 17 Ų | 17 | 73.3 Ų | 73.3 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L272 I275 K283 L284 N290 M291 | L272-A287 HydrophobicContact CD1-CB 4.08Å; I275-A287 HydrophobicContact CD1-CB 3.81Å; K283-A287 WeakPolarHBondContact O-CB 3.49Å; K283-A287 PolarHBondContact O-N 2.84Å; L284-A287 PolarHBondContact O-N 2.93Å; L284-A287 VanDerWaalsContact O-N 3.14Å; A287-N290 PolarHBondContact O-N 3.24Å; A287-M291 WeakPolarHBondContact O-CG 3.25Å; A287-M291 PolarHBondContact O-N 2.86Å; A287-M291 VanDerWaalsContact O-N 3.11Å |
| 288 | V | 91.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | L272 L284 N290 M291 V292 Y340 M343 | L272-V288 HydrophobicContact CD1-CG2 4.21Å; L284-V288 HydrophobicContact CD1-CG2 4.07Å; L284-V288 HydrophobicContact CG-CG2 4.4Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 3.48Å; V288-N290 VanDerWaalsContact C-N 3.32Å; V288-N290 PolarHBondContact O-N 2.91Å; V288-M291 PolarHBondContact O-N 3.23Å; V288-V292 WeakPolarHBondContact O-CG2 3.27Å; V288-V292 PolarHBondContact O-N 3.1Å; V288-Y340 HydrophobicContact CG1-CD2 3.96Å; V288-Y340 HydrophobicContact CG1-CE2 4.24Å; V288-M343 HydrophobicContact CG1-CB 3.86Å |
| 289 | R | 91.6 | Very high | 89.6 | Confident | 103 Ų | 103 | 63.1 Ų | 63.1 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 176.5 | -175.6 | 175.1 | -63.8 | 152.3 | 9.2 | 112 | E285 V286 V292 N293 Y340 | E285-R289 VanDerWaalsContact O-CB 3.24Å; E285-R289 WeakPolarHBondContact O-CB 3.31Å; E285-R289 PolarHBondContact O-N 3.14Å; E285-R289 IonicContact OE1-CZ 3.97Å; E285-R289 IonicContact OE1-NH1 2.76Å; E285-R289 IonicContact OE1-NH2 3.6Å; E285-R289 PolarHBondContact OE1-NH2 2.75Å; V286-R289 PolarHBondContact O-N 2.77Å; R289-V292 PolarHBondContact O-N 2.96Å; R289-N293 WeakPolarHBondContact O-CB 3.46Å; R289-N293 PolarHBondContact O-N 2.55Å; R289-N293 PolarHBondContact O-ND2 2.73Å; R289-N293 PolarHBondContact O-OD1 3.22Å; R289-Y340 HydrophobicContact CB-CE2 4.05Å; R289-Y340 PolarHBondContact NH2-OH 2.62Å |
| 290 | N | 90.9 | Very high | 89.9 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 178.3 | -70.7 | -16 | 0 | 0 | 0 | 111.7 | V286 A287 V288 V292 N293 E294 | V286-N290 WeakPolarHBondContact O-CB 3.18Å; V286-N290 PolarHBondContact O-N 2.84Å; V286-N290 PolarHBondContact O-ND2 2.89Å; V286-N290 PolarHBondContact O-OD1 2.91Å; A287-N290 PolarHBondContact O-N 3.24Å; V288-N290 VanDerWaalsContact C-N 3.32Å; V288-N290 PolarHBondContact O-N 2.91Å; N290-V292 PolarHBondContact O-N 3.48Å; N290-N293 PolarHBondContact O-N 2.77Å; N290-E294 WeakPolarHBondContact O-CG 2.99Å; N290-E294 PolarHBondContact O-N 2.87Å |
| 291 | M | 87.9 | Confident | 89.9 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 3% | 0.034 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 177.9 | -67.5 | -178.4 | 76 | 0 | 0 | 112.7 | I264 M268 I269 L272 A287 V288 E294 G295 Y296 I301 | I264-M291 HydrophobicContact CG2-CE 4.05Å; M268-M291 HydrophobicContact CG-CE 4.25Å; M268-M291 HydrophobicContact CG-CG 4.29Å; M268-M291 HydrophobicContact CG-SD 4.41Å; M268-M291 HydrophobicContact SD-CE 4.08Å; M268-M291 HydrophobicContact SD-CG 3.86Å; I269-M291 HydrophobicContact CD1-CE 4.01Å; L272-M291 HydrophobicContact CB-SD 4.37Å; L272-M291 HydrophobicContact CD1-SD 4.3Å; L272-M291 HydrophobicContact CD2-CE 4.42Å; L272-M291 HydrophobicContact CD2-SD 3.79Å; L272-M291 HydrophobicContact CG-SD 4.37Å; A287-M291 WeakPolarHBondContact O-CG 3.25Å; A287-M291 PolarHBondContact O-N 2.86Å; A287-M291 VanDerWaalsContact O-N 3.11Å; V288-M291 PolarHBondContact O-N 3.23Å; M291-E294 PolarHBondContact O-N 3.27Å; M291-G295 PolarHBondContact O-N 3.09Å; M291-Y296 PolarHBondContact O-N 3.47Å; M291-I301 HydrophobicContact CB-CD1 4.19Å; M291-I301 HydrophobicContact CE-CB 4.5Å; M291-I301 HydrophobicContact CE-CD1 3.85Å; M291-I301 HydrophobicContact CE-CG1 3.86Å; M291-I301 HydrophobicContact CE-CG2 3.82Å |
| 292 | V | 88.3 | Confident | 90 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | V288 R289 N290 E294 G295 | V288-V292 WeakPolarHBondContact O-CG2 3.27Å; V288-V292 PolarHBondContact O-N 3.1Å; R289-V292 PolarHBondContact O-N 2.96Å; N290-V292 PolarHBondContact O-N 3.48Å; V292-E294 VanDerWaalsContact C-N 3.32Å; V292-E294 PolarHBondContact O-N 3.34Å; V292-G295 WeakPolarHBondContact O-CA 3.47Å; V292-G295 PolarHBondContact O-N 3.24Å |
| 293 | N | 89.1 | Confident | 90 | Very high | 122 Ų | 122 | 54 Ų | 54 | 65% | 0.652 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.8 | -31 | 177.2 | -72.1 | -15.2 | 0 | 0 | 0 | 113.3 | R289 N290 G295 | R289-N293 WeakPolarHBondContact O-CB 3.46Å; R289-N293 PolarHBondContact O-N 2.55Å; R289-N293 PolarHBondContact O-ND2 2.73Å; R289-N293 PolarHBondContact O-OD1 3.22Å; N290-N293 PolarHBondContact O-N 2.77Å; N293-G295 PolarHBondContact O-N 3.46Å |
| 294 | E | 87.8 | Confident | 90 | Very high | 112 Ų | 112 | 49.1 Ų | 49.1 | 52% | 0.523 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -10.9 | 171.9 | -74 | -177 | -144.8 | 0 | 0 | 112.4 | M268 N290 M291 V292 Y296 | M268-E294 WeakPolarHBondContact CE-OE2 3.43Å; N290-E294 WeakPolarHBondContact O-CG 2.99Å; N290-E294 PolarHBondContact O-N 2.87Å; M291-E294 PolarHBondContact O-N 3.27Å; V292-E294 VanDerWaalsContact C-N 3.32Å; V292-E294 PolarHBondContact O-N 3.34Å; E294-Y296 HydrophobicContact CB-CD2 3.82Å; E294-Y296 HydrophobicContact CB-CE2 3.7Å; E294-Y296 VanDerWaalsContact OE2-CE2 3.27Å; E294-Y296 WeakPolarHBondContact OE2-CE2 3.42Å |
| 295 | G | 87.3 | Confident | 90 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 65% | 0.649 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 16.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M291 V292 N293 | M291-G295 PolarHBondContact O-N 3.09Å; V292-G295 WeakPolarHBondContact O-CA 3.47Å; V292-G295 PolarHBondContact O-N 3.24Å; N293-G295 PolarHBondContact O-N 3.46Å |
| 296 | Y | 88.7 | Confident | 90 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | trans | -73.4 | 129.7 | 173 | -62.9 | -70.3 | 0 | 0 | 0 | 110.7 | I264 M268 M291 E294 A298 | I264-Y296 HydrophobicContact CB-CD1 4.32Å; I264-Y296 HydrophobicContact CB-CE1 4.41Å; I264-Y296 HydrophobicContact CD1-CG 4.48Å; I264-Y296 HydrophobicContact CG1-CD1 3.42Å; I264-Y296 VanDerWaalsContact CG1-CD1 3.42Å; I264-Y296 HydrophobicContact CG1-CD2 4.12Å; I264-Y296 HydrophobicContact CG1-CE1 3.99Å; I264-Y296 HydrophobicContact CG1-CG 3.5Å; I264-Y296 HydrophobicContact CG2-CE2 4.47Å; M268-Y296 HydrophobicContact CE-CE2 3.96Å; M268-Y296 HydrophobicContact SD-CD2 4.25Å; M268-Y296 HydrophobicContact SD-CE2 3.82Å; M291-Y296 PolarHBondContact O-N 3.47Å; E294-Y296 HydrophobicContact CB-CD2 3.82Å; E294-Y296 HydrophobicContact CB-CE2 3.7Å; E294-Y296 VanDerWaalsContact OE2-CE2 3.27Å; E294-Y296 WeakPolarHBondContact OE2-CE2 3.42Å; Y296-A298 PolarHBondContact O-N 2.8Å | ||
| 297 | A | 89.7 | Confident | 89.9 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | trans | -63.3 | 131.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | T299 Q300 I301 | A297-T299 PolarHBondContact O-N 3.1Å; A297-T299 VanDerWaalsContact O-N 3.14Å; A297-Q300 WeakPolarHBondContact O-CB 3.23Å; A297-Q300 PolarHBondContact O-N 3.3Å; A297-I301 PolarHBondContact O-N 2.95Å | ||
| 298 | A | 89.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.1 | -30.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y296 Q300 I301 L302 L333 E339 M343 | Y296-A298 PolarHBondContact O-N 2.8Å; A298-Q300 VanDerWaalsContact C-N 3.32Å; A298-Q300 PolarHBondContact O-N 3.27Å; A298-I301 PolarHBondContact O-N 2.97Å; A298-L302 WeakPolarHBondContact O-CB 3.29Å; A298-L302 PolarHBondContact O-N 3.06Å; A298-L333 HydrophobicContact CB-CD1 3.91Å; A298-L333 HydrophobicContact CB-CD2 3.87Å; A298-E339 HydrophobicContact CB-CB 3.8Å; A298-E339 HydrophobicContact CB-CG 3.86Å; A298-M343 HydrophobicContact CB-CG 3.68Å; A298-M343 HydrophobicContact CB-SD 3.92Å |
| 299 | T | 90.8 | Very high | 89.7 | Confident | 82 Ų | 82 | 50.5 Ų | 50.5 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 175 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | A297 L302 S303 L333 | A297-T299 PolarHBondContact O-N 3.1Å; A297-T299 VanDerWaalsContact O-N 3.14Å; T299-L302 PolarHBondContact O-N 2.82Å; T299-S303 PolarHBondContact O-N 2.85Å; T299-S303 VanDerWaalsContact O-N 3.08Å; T299-L333 HydrophobicContact CG2-CB 4.34Å; T299-L333 HydrophobicContact CG2-CD1 4.38Å |
| 300 | Q | 89.3 | Confident | 89.5 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.5 | -40.6 | 176.5 | -170.8 | 63.2 | 20.5 | 0 | 0 | 111.1 | I264 A297 A298 L302 S303 Q304 | I264-Q300 HydrophobicContact CD1-CB 4.15Å; I264-Q300 HydrophobicContact CD1-CG 3.93Å; A297-Q300 WeakPolarHBondContact O-CB 3.23Å; A297-Q300 PolarHBondContact O-N 3.3Å; A298-Q300 VanDerWaalsContact C-N 3.32Å; A298-Q300 PolarHBondContact O-N 3.27Å; Q300-L302 VanDerWaalsContact C-N 3.3Å; Q300-L302 PolarHBondContact O-N 3.23Å; Q300-S303 PolarHBondContact O-N 3.2Å; Q300-Q304 PolarHBondContact O-N 3.2Å |
| 301 | I | 90.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 175 | -52.3 | 171.2 | 0 | 0 | 0 | 109.6 | I264 I269 L272 M291 A297 A298 Q304 L305 M343 | I264-I301 HydrophobicContact CD1-CB 3.94Å; I264-I301 HydrophobicContact CD1-CG1 3.36Å; I264-I301 HydrophobicContact CG1-CG1 4.41Å; I269-I301 HydrophobicContact CD1-CG2 4.18Å; L272-I301 HydrophobicContact CD2-CG2 4.32Å; M291-I301 HydrophobicContact CB-CD1 4.19Å; M291-I301 HydrophobicContact CE-CB 4.5Å; M291-I301 HydrophobicContact CE-CD1 3.85Å; M291-I301 HydrophobicContact CE-CG1 3.86Å; M291-I301 HydrophobicContact CE-CG2 3.82Å; A297-I301 PolarHBondContact O-N 2.95Å; A298-I301 PolarHBondContact O-N 2.97Å; I301-Q304 PolarHBondContact O-N 3.28Å; I301-L305 HydrophobicContact CG2-CD1 3.74Å; I301-L305 HydrophobicContact CG2-CG 4.2Å; I301-L305 VanDerWaalsContact O-CB 3.28Å; I301-L305 WeakPolarHBondContact O-CB 3.45Å; I301-L305 VanDerWaalsContact O-CG 3.25Å; I301-L305 WeakPolarHBondContact O-CG 3.24Å; I301-L305 PolarHBondContact O-N 3.46Å; I301-M343 HydrophobicContact CB-CE 3.84Å; I301-M343 HydrophobicContact CB-SD 4.49Å; I301-M343 HydrophobicContact CG2-CE 3.43Å; I301-M343 VanDerWaalsContact CG2-CE 3.43Å |
| 302 | L | 92 | Very high | 89 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 178.9 | -173.4 | 73.2 | 0 | 0 | 0 | 112 | A298 T299 Q300 L305 H306 M326 V329 G330 L333 L346 | A298-L302 WeakPolarHBondContact O-CB 3.29Å; A298-L302 PolarHBondContact O-N 3.06Å; T299-L302 PolarHBondContact O-N 2.82Å; Q300-L302 VanDerWaalsContact C-N 3.3Å; Q300-L302 PolarHBondContact O-N 3.23Å; L302-L305 PolarHBondContact O-N 3.06Å; L302-H306 PolarHBondContact O-N 3.07Å; L302-M326 HydrophobicContact CD1-CB 3.99Å; L302-M326 HydrophobicContact CD1-CE 3.61Å; L302-M326 HydrophobicContact CD1-CG 4.04Å; L302-M326 HydrophobicContact CG-CE 4.1Å; L302-M326 WeakPolarHBondContact O-CE 3.26Å; L302-V329 HydrophobicContact CD1-CG1 4.19Å; L302-G330 VanDerWaalsContact CD2-CA 3.49Å; L302-L333 HydrophobicContact CD2-CD1 4.4Å; L302-L346 HydrophobicContact CD1-CD2 3.42Å; L302-L346 VanDerWaalsContact CD1-CD2 3.42Å |
| 303 | S | 90.3 | Very high | 88.6 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | -179.8 | -163.1 | 0 | 0 | 0 | 0 | 112 | T299 Q300 H306 D307 | T299-S303 PolarHBondContact O-N 2.85Å; T299-S303 VanDerWaalsContact O-N 3.08Å; Q300-S303 PolarHBondContact O-N 3.2Å; S303-H306 WeakPolarHBondContact O-CB 3.33Å; S303-H306 PolarHBondContact O-N 3.27Å; S303-D307 PolarHBondContact O-N 2.91Å |
| 304 | Q | 90.1 | Very high | 88.3 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 13% | 0.131 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.6 | -36.8 | 179.6 | -70.1 | -173.4 | -7.2 | 0 | 0 | 112.8 | I264 I269 Q300 I301 H306 D307 C308 | I264-Q304 PolarHBondContact O-NE2 3.06Å; I264-Q304 PolarHBondContact O-OE1 2.76Å; I269-Q304 HydrophobicContact CD1-CB 4.33Å; I269-Q304 HydrophobicContact CG1-CB 4.31Å; Q300-Q304 PolarHBondContact O-N 3.2Å; I301-Q304 PolarHBondContact O-N 3.28Å; Q304-H306 PolarHBondContact O-N 3.18Å; Q304-D307 PolarHBondContact O-N 2.83Å; Q304-C308 PolarHBondContact O-N 2.93Å; Q304-C308 PolarHBondContact O-SG 2.9Å; Q304-C308 VanDerWaalsContact O-SG 3.34Å |
| 305 | L | 90.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -38 | 173.1 | -80.6 | 172.2 | 0 | 0 | 0 | 111.4 | I269 L272 L273 I301 L302 C308 I309 M326 M343 L346 | I269-L305 HydrophobicContact CG2-CD2 3.97Å; L272-L305 HydrophobicContact CD2-CD1 4.09Å; L272-L305 HydrophobicContact CD2-CD2 4.21Å; L273-L305 HydrophobicContact CD1-CD2 4.31Å; L273-L305 HydrophobicContact CD2-CD2 3.55Å; L273-L305 HydrophobicContact CG-CD2 3.77Å; I301-L305 HydrophobicContact CG2-CD1 3.74Å; I301-L305 HydrophobicContact CG2-CG 4.2Å; I301-L305 VanDerWaalsContact O-CB 3.28Å; I301-L305 WeakPolarHBondContact O-CB 3.45Å; I301-L305 VanDerWaalsContact O-CG 3.25Å; I301-L305 WeakPolarHBondContact O-CG 3.24Å; I301-L305 PolarHBondContact O-N 3.46Å; L302-L305 PolarHBondContact O-N 3.06Å; L305-C308 PolarHBondContact O-N 2.8Å; L305-I309 HydrophobicContact CB-CD1 4.5Å; L305-I309 WeakPolarHBondContact O-CB 3.45Å; L305-I309 VanDerWaalsContact O-CD1 3.32Å; L305-I309 WeakPolarHBondContact O-CD1 3.45Å; L305-I309 WeakPolarHBondContact O-CG1 3.43Å; L305-I309 PolarHBondContact O-N 2.79Å; L305-M326 HydrophobicContact CB-CE 4.05Å; L305-M343 HydrophobicContact CD1-CE 3.96Å; L305-L346 HydrophobicContact CD1-CD2 4.36Å |
| 306 | H | 91.6 | Very high | 88.4 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 33% | 0.333 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -49.3 | 179.3 | 167.6 | -87.6 | 0 | 0 | 0 | 110.1 | L302 S303 Q304 C308 I309 L310 F323 M326 | L302-H306 PolarHBondContact O-N 3.07Å; S303-H306 WeakPolarHBondContact O-CB 3.33Å; S303-H306 PolarHBondContact O-N 3.27Å; Q304-H306 PolarHBondContact O-N 3.18Å; H306-C308 PolarHBondContact O-N 2.81Å; H306-I309 PolarHBondContact O-N 2.91Å; H306-L310 WeakPolarHBondContact O-CB 3.48Å; H306-L310 PolarHBondContact O-N 2.99Å; H306-F323 AromaticContact CD2-CD1 3.96Å; H306-F323 AromaticContact CD2-CE1 3.73Å; H306-M326 HydrophobicContact CB-CE 3.61Å; H306-M326 HydrophobicContact CB-SD 4.4Å |
| 307 | D | 89.3 | Confident | 88.4 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | -178.6 | -59.9 | -19.9 | 0 | 0 | 0 | 111.4 | S303 Q304 I309 L310 E311 | S303-D307 PolarHBondContact O-N 2.91Å; Q304-D307 PolarHBondContact O-N 2.83Å; D307-I309 VanDerWaalsContact C-N 3.35Å; D307-I309 PolarHBondContact O-N 2.85Å; D307-L310 WeakPolarHBondContact O-CB 3.42Å; D307-L310 PolarHBondContact O-N 2.9Å; D307-E311 PolarHBondContact O-N 3.48Å |
| 308 | C | 89.1 | Confident | 88.3 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -32.9 | 176 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | I269 L273 Q304 L305 H306 K312 | I269-C308 HydrophobicContact CG2-CB 4.41Å; L273-C308 HydrophobicContact CD1-CB 3.7Å; Q304-C308 PolarHBondContact O-N 2.93Å; Q304-C308 PolarHBondContact O-SG 2.9Å; Q304-C308 VanDerWaalsContact O-SG 3.34Å; L305-C308 PolarHBondContact O-N 2.8Å; H306-C308 PolarHBondContact O-N 2.81Å; C308-K312 WeakPolarHBondContact O-CG 3.41Å; C308-K312 PolarHBondContact O-N 3.09Å |
| 309 | I | 88.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -76.5 | -34.1 | 178.3 | -70.1 | 163.9 | 0 | 0 | 0 | 110.7 | L273 L305 H306 D307 E311 K312 I314 I322 F323 M326 I350 | L273-I309 HydrophobicContact CD2-CD1 4.41Å; L273-I309 HydrophobicContact CD2-CG1 4.2Å; L305-I309 HydrophobicContact CB-CD1 4.5Å; L305-I309 WeakPolarHBondContact O-CB 3.45Å; L305-I309 VanDerWaalsContact O-CD1 3.32Å; L305-I309 WeakPolarHBondContact O-CD1 3.45Å; L305-I309 WeakPolarHBondContact O-CG1 3.43Å; L305-I309 PolarHBondContact O-N 2.79Å; H306-I309 PolarHBondContact O-N 2.91Å; D307-I309 VanDerWaalsContact C-N 3.35Å; D307-I309 PolarHBondContact O-N 2.85Å; I309-E311 VanDerWaalsContact C-N 3.31Å; I309-E311 PolarHBondContact O-N 3.26Å; I309-K312 PolarHBondContact O-N 2.89Å; I309-I314 HydrophobicContact CG2-CD1 4.4Å; I309-I322 HydrophobicContact CD1-CG2 3.92Å; I309-F323 HydrophobicContact CB-CE1 4.17Å; I309-F323 HydrophobicContact CG2-CE1 3.72Å; I309-F323 HydrophobicContact CG2-CZ 3.96Å; I309-M326 HydrophobicContact CD1-SD 4.24Å; I309-I350 HydrophobicContact CD1-CD1 4.09Å |
| 310 | L | 88.4 | Confident | 88.4 | Confident | 98 Ų | 98 | 66 Ų | 66 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 175.4 | -164.6 | 84.4 | 0 | 0 | 0 | 111.1 | H306 D307 K312 K319 F323 | H306-L310 WeakPolarHBondContact O-CB 3.48Å; H306-L310 PolarHBondContact O-N 2.99Å; D307-L310 WeakPolarHBondContact O-CB 3.42Å; D307-L310 PolarHBondContact O-N 2.9Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 3.32Å; L310-K319 PolarHBondContact O-NZ 2.95Å; L310-K319 VanDerWaalsContact O-NZ 3.15Å; L310-F323 HydrophobicContact CD1-CE2 4.32Å; L310-F323 HydrophobicContact CD1-CZ 4.11Å |
| 311 | E | 85.8 | Confident | 88.6 | Confident | 165 Ų | 165 | 64.4 Ų | 64.4 | 77% | 0.771 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -74.9 | -16.9 | -178.3 | -67.6 | -176.6 | 170.7 | 0 | 0 | 114.4 | D307 I309 | D307-E311 PolarHBondContact O-N 3.48Å; I309-E311 VanDerWaalsContact C-N 3.31Å; I309-E311 PolarHBondContact O-N 3.26Å |
| 312 | K | 81.4 | Confident | 88.6 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -79 | 147.6 | -177.9 | -86.6 | -176.2 | 175.5 | -172.2 | 0 | 113.3 | F277 C308 I309 L310 I314 K319 | F277-K312 HydrophobicContact CE2-CD 4.34Å; C308-K312 WeakPolarHBondContact O-CG 3.41Å; C308-K312 PolarHBondContact O-N 3.09Å; I309-K312 PolarHBondContact O-N 2.89Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 3.32Å; K312-I314 HydrophobicContact CB-CD1 3.79Å; K312-I314 HydrophobicContact CB-CG1 4.01Å; K312-I314 HydrophobicContact CD-CD1 4.26Å; K312-I314 PolarHBondContact O-N 3.03Å; K312-K319 WeakPolarHBondContact O-CE 3.48Å; K312-K319 PolarHBondContact O-NZ 3.3Å |
| 313 | D | 79.6 | Confident | 88.7 | Confident | 174 Ų | 174 | 65.9 Ų | 65.9 | 93% | 0.93 | 35% | 0.349 | S | S | * | . | trans | -78.1 | 80.5 | 172.1 | -64.8 | -37.3 | 0 | 0 | 0 | 110.8 | ||||
| 314 | I | 84.1 | Confident | 88.9 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 12% | 0.123 | 36% | 0.362 | C | S | . | . | trans | -122.9 | 152.8 | 176.9 | -59.8 | 164.6 | 0 | 0 | 0 | 107.4 | F277 I309 K312 Q318 K319 | F277-I314 HydrophobicContact CE1-CD1 4.15Å; F277-I314 HydrophobicContact CE1-CG1 4.47Å; F277-I314 HydrophobicContact CE2-CD1 4.46Å; F277-I314 HydrophobicContact CZ-CD1 3.53Å; F277-I314 HydrophobicContact CZ-CG1 4.28Å; I309-I314 HydrophobicContact CG2-CD1 4.4Å; K312-I314 HydrophobicContact CB-CD1 3.79Å; K312-I314 HydrophobicContact CB-CG1 4.01Å; K312-I314 HydrophobicContact CD-CD1 4.26Å; K312-I314 PolarHBondContact O-N 3.03Å; I314-Q318 HydrophobicContact CG2-CB 3.51Å; I314-Q318 HydrophobicContact CG2-CG 4.39Å; I314-K319 HydrophobicContact CB-CG 4.15Å; I314-K319 HydrophobicContact CG2-CG 4.27Å; I314-K319 WeakPolarHBondContact O-CE 3.5Å | ||
| 315 | T | 88.5 | Confident | 89.1 | Confident | 76 Ų | 76 | 71 Ų | 71 | 47% | 0.466 | 37% | 0.366 | S | S | . | . | trans | -63.2 | 149 | 178.2 | 69.3 | 0 | 0 | 0 | 0 | 111.7 | E317 Q318 K319 | T315-E317 PolarHBondContact O-N 3.45Å; T315-Q318 PolarHBondContact O-N 2.99Å; T315-Q318 WeakPolarHBondContact OG1-CB 3.38Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.43Å; T315-Q318 PolarHBondContact OG1-N 2.76Å; T315-Q318 PolarHBondContact OG1-OE1 3.02Å; T315-Q318 VanDerWaalsContact OG1-OE1 3.1Å; T315-K319 PolarHBondContact O-N 3.32Å | ||
| 316 | D | 88.9 | Confident | 89.3 | Confident | 134 Ų | 134 | 71.4 Ų | 71.4 | 72% | 0.717 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.5 | -33 | -178.9 | -70.4 | -20.9 | 0 | 0 | 0 | 112.4 | K319 S320 | D316-K319 PolarHBondContact O-N 3.46Å; D316-S320 WeakPolarHBondContact O-CB 3.5Å; D316-S320 PolarHBondContact O-N 3.3Å |
| 317 | E | 88.7 | Confident | 89.5 | Confident | 162 Ų | 162 | 71.2 Ų | 71.2 | 76% | 0.757 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.3 | -45.2 | 176.5 | -171.9 | 170.6 | -167.9 | 0 | 0 | 111.5 | T315 S320 A321 | T315-E317 PolarHBondContact O-N 3.45Å; E317-S320 PolarHBondContact O-N 2.7Å; E317-A321 PolarHBondContact O-N 2.93Å |
| 318 | Q | 87.8 | Confident | 89.7 | Confident | 18 Ų | 18 | 71 Ų | 71 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.5 | -73.4 | 168.1 | -15.9 | 0 | 0 | 111.3 | I314 T315 S320 A321 I322 Q353 S357 | I314-Q318 HydrophobicContact CG2-CB 3.51Å; I314-Q318 HydrophobicContact CG2-CG 4.39Å; T315-Q318 PolarHBondContact O-N 2.99Å; T315-Q318 WeakPolarHBondContact OG1-CB 3.38Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.43Å; T315-Q318 PolarHBondContact OG1-N 2.76Å; T315-Q318 PolarHBondContact OG1-OE1 3.02Å; T315-Q318 VanDerWaalsContact OG1-OE1 3.1Å; Q318-S320 VanDerWaalsContact C-N 3.32Å; Q318-S320 PolarHBondContact O-N 3.42Å; Q318-A321 PolarHBondContact O-N 3.46Å; Q318-I322 WeakPolarHBondContact O-CD1 3.38Å; Q318-I322 VanDerWaalsContact O-CG1 3.22Å; Q318-I322 WeakPolarHBondContact O-CG1 3.27Å; Q318-I322 PolarHBondContact O-N 3.35Å; Q318-Q353 HydrophobicContact CG-CB 4.42Å; Q318-Q353 PolarHBondContact NE2-O 3.47Å; Q318-Q353 VanDerWaalsContact NE2-O 3.1Å; Q318-S357 PolarHBondContact NE2-OG 3.42Å |
| 319 | K | 90.7 | Very high | 90 | Very high | 36 Ų | 36 | 69.3 Ų | 69.3 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 174.7 | -73.4 | -175.6 | 179.1 | -174 | 0 | 111.1 | L310 K312 I314 T315 D316 I322 F323 | L310-K319 PolarHBondContact O-NZ 2.95Å; L310-K319 VanDerWaalsContact O-NZ 3.15Å; K312-K319 WeakPolarHBondContact O-CE 3.48Å; K312-K319 PolarHBondContact O-NZ 3.3Å; I314-K319 HydrophobicContact CB-CG 4.15Å; I314-K319 HydrophobicContact CG2-CG 4.27Å; I314-K319 WeakPolarHBondContact O-CE 3.5Å; T315-K319 PolarHBondContact O-N 3.32Å; D316-K319 PolarHBondContact O-N 3.46Å; K319-I322 PolarHBondContact O-N 3.4Å; K319-F323 HydrophobicContact CB-CD2 4.41Å; K319-F323 HydrophobicContact CB-CE2 4.11Å; K319-F323 WeakPolarHBondContact O-CB 3.41Å; K319-F323 VanDerWaalsContact O-CD2 3.3Å; K319-F323 WeakPolarHBondContact O-CD2 3.34Å; K319-F323 VanDerWaalsContact O-CG 3.23Å; K319-F323 WeakPolarHBondContact O-CG 3.42Å; K319-F323 PolarHBondContact O-N 3.06Å |
| 320 | S | 91.9 | Very high | 90.3 | Very high | 77 Ų | 77 | 70.5 Ų | 70.5 | 54% | 0.538 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 178.4 | -173 | 0 | 0 | 0 | 0 | 112.1 | D316 E317 Q318 I322 F323 E324 | D316-S320 WeakPolarHBondContact O-CB 3.5Å; D316-S320 PolarHBondContact O-N 3.3Å; E317-S320 PolarHBondContact O-N 2.7Å; Q318-S320 VanDerWaalsContact C-N 3.32Å; Q318-S320 PolarHBondContact O-N 3.42Å; S320-I322 VanDerWaalsContact C-N 3.32Å; S320-I322 PolarHBondContact O-N 3.1Å; S320-F323 PolarHBondContact O-N 2.82Å; S320-E324 PolarHBondContact O-N 3.47Å |
| 321 | A | 91.8 | Very high | 90.6 | Very high | 29 Ų | 29 | 72.4 Ų | 72.4 | 24% | 0.24 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E317 Q318 K325 Q353 | E317-A321 PolarHBondContact O-N 2.93Å; Q318-A321 PolarHBondContact O-N 3.46Å; A321-K325 PolarHBondContact O-N 3.13Å; A321-Q353 HydrophobicContact CB-CG 4.2Å |
| 322 | I | 92.1 | Very high | 91 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.3 | -48 | 177 | -65.8 | 165.5 | 0 | 0 | 0 | 110.6 | I309 Q318 K319 S320 E324 K325 M326 I350 Q353 | I309-I322 HydrophobicContact CD1-CG2 3.92Å; Q318-I322 WeakPolarHBondContact O-CD1 3.38Å; Q318-I322 VanDerWaalsContact O-CG1 3.22Å; Q318-I322 WeakPolarHBondContact O-CG1 3.27Å; Q318-I322 PolarHBondContact O-N 3.35Å; K319-I322 PolarHBondContact O-N 3.4Å; S320-I322 VanDerWaalsContact C-N 3.32Å; S320-I322 PolarHBondContact O-N 3.1Å; I322-E324 VanDerWaalsContact C-N 3.34Å; I322-E324 PolarHBondContact O-N 3.45Å; I322-K325 PolarHBondContact O-N 2.96Å; I322-K325 VanDerWaalsContact O-N 3.14Å; I322-M326 HydrophobicContact CG2-CG 4.18Å; I322-M326 HydrophobicContact CG2-SD 3.95Å; I322-M326 VanDerWaalsContact O-CG 3.3Å; I322-M326 WeakPolarHBondContact O-CG 3.36Å; I322-M326 PolarHBondContact O-N 3.3Å; I322-I350 HydrophobicContact CD1-CG1 4.4Å; I322-I350 HydrophobicContact CD1-CG2 4.42Å; I322-I350 HydrophobicContact CG1-CG1 4.19Å; I322-I350 HydrophobicContact CG2-CD1 4.27Å; I322-I350 HydrophobicContact CG2-CG1 3.79Å; I322-Q353 HydrophobicContact CD1-CB 4.33Å; I322-Q353 HydrophobicContact CG1-CB 4.29Å; I322-Q353 HydrophobicContact CG1-CG 4.24Å |
| 323 | F | 93.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 24% | 0.237 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.3 | -34.8 | -178.4 | -67.3 | -27.9 | 0 | 0 | 0 | 113.3 | H306 I309 L310 K319 S320 K325 M326 A327 | H306-F323 AromaticContact CD2-CD1 3.96Å; H306-F323 AromaticContact CD2-CE1 3.73Å; I309-F323 HydrophobicContact CB-CE1 4.17Å; I309-F323 HydrophobicContact CG2-CE1 3.72Å; I309-F323 HydrophobicContact CG2-CZ 3.96Å; L310-F323 HydrophobicContact CD1-CE2 4.32Å; L310-F323 HydrophobicContact CD1-CZ 4.11Å; K319-F323 HydrophobicContact CB-CD2 4.41Å; K319-F323 HydrophobicContact CB-CE2 4.11Å; K319-F323 WeakPolarHBondContact O-CB 3.41Å; K319-F323 VanDerWaalsContact O-CD2 3.3Å; K319-F323 WeakPolarHBondContact O-CD2 3.34Å; K319-F323 VanDerWaalsContact O-CG 3.23Å; K319-F323 WeakPolarHBondContact O-CG 3.42Å; K319-F323 PolarHBondContact O-N 3.06Å; S320-F323 PolarHBondContact O-N 2.82Å; F323-K325 VanDerWaalsContact C-N 3.35Å; F323-M326 HydrophobicContact CD1-SD 3.85Å; F323-M326 HydrophobicContact CE1-SD 4.29Å; F323-M326 PolarHBondContact O-N 3.21Å; F323-A327 PolarHBondContact O-N 3.09Å |
| 324 | E | 94.8 | Very high | 92.3 | Very high | 140 Ų | 140 | 60 Ų | 60 | 65% | 0.654 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.7 | -47.2 | 171.4 | -175.5 | 177.5 | -174.7 | 0 | 0 | 110.9 | S320 I322 M326 A327 V328 | S320-E324 PolarHBondContact O-N 3.47Å; I322-E324 VanDerWaalsContact C-N 3.34Å; I322-E324 PolarHBondContact O-N 3.45Å; E324-M326 VanDerWaalsContact C-N 3.34Å; E324-M326 PolarHBondContact O-N 3.18Å; E324-A327 PolarHBondContact O-N 2.9Å; E324-V328 WeakPolarHBondContact O-CG2 3.47Å; E324-V328 PolarHBondContact O-N 3.25Å; E324-V328 VanDerWaalsContact O-N 3.13Å |
| 325 | K | 94.3 | Very high | 92.7 | Very high | 52 Ų | 52 | 64.8 Ų | 64.8 | 23% | 0.226 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.2 | -175 | 62.5 | 175.4 | 178 | 0 | 112.2 | A321 I322 F323 A327 V328 V329 S345 L346 V349 | A321-K325 PolarHBondContact O-N 3.13Å; I322-K325 PolarHBondContact O-N 2.96Å; I322-K325 VanDerWaalsContact O-N 3.14Å; F323-K325 VanDerWaalsContact C-N 3.35Å; K325-A327 VanDerWaalsContact C-N 3.32Å; K325-A327 PolarHBondContact O-N 2.98Å; K325-V328 PolarHBondContact O-N 2.91Å; K325-V329 WeakPolarHBondContact O-CB 3.4Å; K325-V329 WeakPolarHBondContact O-CG2 3.44Å; K325-V329 PolarHBondContact O-N 3.38Å; K325-S345 WeakPolarHBondContact CE-OG 3.24Å; K325-S345 PolarHBondContact NZ-OG 3.32Å; K325-L346 HydrophobicContact CB-CD1 4.36Å; K325-L346 HydrophobicContact CG-CD1 4.01Å; K325-V349 HydrophobicContact CB-CB 4.5Å; K325-V349 HydrophobicContact CB-CG1 4.11Å; K325-V349 HydrophobicContact CD-CG2 4.09Å; K325-V349 HydrophobicContact CG-CB 4.03Å; K325-V349 HydrophobicContact CG-CG1 4.19Å; K325-V349 HydrophobicContact CG-CG2 3.9Å |
| 326 | M | 94.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 175.6 | -70.4 | -177 | 82.7 | 0 | 0 | 111.8 | L302 L305 H306 I309 I322 F323 E324 V329 G330 L346 | L302-M326 HydrophobicContact CD1-CB 3.99Å; L302-M326 HydrophobicContact CD1-CE 3.61Å; L302-M326 HydrophobicContact CD1-CG 4.04Å; L302-M326 HydrophobicContact CG-CE 4.1Å; L302-M326 WeakPolarHBondContact O-CE 3.26Å; L305-M326 HydrophobicContact CB-CE 4.05Å; H306-M326 HydrophobicContact CB-CE 3.61Å; H306-M326 HydrophobicContact CB-SD 4.4Å; I309-M326 HydrophobicContact CD1-SD 4.24Å; I322-M326 HydrophobicContact CG2-CG 4.18Å; I322-M326 HydrophobicContact CG2-SD 3.95Å; I322-M326 VanDerWaalsContact O-CG 3.3Å; I322-M326 WeakPolarHBondContact O-CG 3.36Å; I322-M326 PolarHBondContact O-N 3.3Å; F323-M326 HydrophobicContact CD1-SD 3.85Å; F323-M326 HydrophobicContact CE1-SD 4.29Å; F323-M326 PolarHBondContact O-N 3.21Å; E324-M326 VanDerWaalsContact C-N 3.34Å; E324-M326 PolarHBondContact O-N 3.18Å; M326-V329 PolarHBondContact O-N 2.67Å; M326-G330 PolarHBondContact O-N 2.88Å; M326-L346 HydrophobicContact CB-CD1 4.4Å; M326-L346 HydrophobicContact CE-CD2 4.5Å; M326-L346 HydrophobicContact CG-CD1 3.43Å; M326-L346 VanDerWaalsContact CG-CD1 3.43Å; M326-L346 HydrophobicContact CG-CD2 4.07Å; M326-L346 HydrophobicContact CG-CG 4.39Å |
| 327 | A | 95.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 56% | 0.562 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F323 E324 K325 G330 K331 | F323-A327 PolarHBondContact O-N 3.09Å; E324-A327 PolarHBondContact O-N 2.9Å; K325-A327 VanDerWaalsContact C-N 3.32Å; K325-A327 PolarHBondContact O-N 2.98Å; A327-G330 PolarHBondContact O-N 2.99Å; A327-K331 PolarHBondContact O-N 3.24Å |
| 328 | V | 95.3 | Very high | 93.5 | Very high | 73 Ų | 73 | 56.1 Ų | 56.1 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | E324 K325 K331 C332 | E324-V328 WeakPolarHBondContact O-CG2 3.47Å; E324-V328 PolarHBondContact O-N 3.25Å; E324-V328 VanDerWaalsContact O-N 3.13Å; K325-V328 PolarHBondContact O-N 2.91Å; V328-K331 PolarHBondContact O-N 3.48Å; V328-C332 PolarHBondContact O-N 3.1Å; V328-C332 PolarHBondContact O-SG 2.92Å; V328-C332 VanDerWaalsContact O-SG 3.33Å |
| 329 | V | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 178.2 | 164.4 | 0 | 0 | 0 | 0 | 111.2 | L302 K325 M326 K331 C332 L333 Q342 L346 | L302-V329 HydrophobicContact CD1-CG1 4.19Å; K325-V329 WeakPolarHBondContact O-CB 3.4Å; K325-V329 WeakPolarHBondContact O-CG2 3.44Å; K325-V329 PolarHBondContact O-N 3.38Å; M326-V329 PolarHBondContact O-N 2.67Å; V329-K331 VanDerWaalsContact C-N 3.3Å; V329-K331 PolarHBondContact O-N 3.27Å; V329-C332 PolarHBondContact O-N 3.45Å; V329-C332 VanDerWaalsContact O-N 3.14Å; V329-L333 HydrophobicContact CG1-CD1 3.92Å; V329-L333 HydrophobicContact CG1-CG 4.23Å; V329-L333 VanDerWaalsContact O-CG 3.31Å; V329-L333 WeakPolarHBondContact O-CG 3.13Å; V329-L333 PolarHBondContact O-N 3.35Å; V329-Q342 HydrophobicContact CG1-CB 4Å; V329-L346 HydrophobicContact CG2-CB 4.22Å |
| 330 | G | 94.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L302 M326 A327 A334 | L302-G330 VanDerWaalsContact CD2-CA 3.49Å; M326-G330 PolarHBondContact O-N 2.88Å; A327-G330 PolarHBondContact O-N 2.99Å; G330-A334 PolarHBondContact O-N 2.9Å |
| 331 | K | 95.4 | Very high | 93.9 | Very high | 139 Ų | 139 | 61 Ų | 61 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.7 | -47.4 | 172.6 | -178.1 | -176.6 | 173.4 | -176.1 | 0 | 111.9 | A327 V328 V329 L333 A334 D335 | A327-K331 PolarHBondContact O-N 3.24Å; V328-K331 PolarHBondContact O-N 3.48Å; V329-K331 VanDerWaalsContact C-N 3.3Å; V329-K331 PolarHBondContact O-N 3.27Å; K331-L333 VanDerWaalsContact C-N 3.3Å; K331-L333 PolarHBondContact O-N 3.4Å; K331-A334 WeakPolarHBondContact O-CB 3.14Å; K331-A334 PolarHBondContact O-N 2.89Å; K331-A334 VanDerWaalsContact O-N 3.09Å; K331-D335 PolarHBondContact O-N 3.39Å |
| 332 | C | 94.5 | Very high | 94 | Very high | 36 Ų | 36 | 61.6 Ų | 61.6 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 179.4 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | V328 V329 A334 D335 G336 A337 Q342 | V328-C332 PolarHBondContact O-N 3.1Å; V328-C332 PolarHBondContact O-SG 2.92Å; V328-C332 VanDerWaalsContact O-SG 3.33Å; V329-C332 PolarHBondContact O-N 3.45Å; V329-C332 VanDerWaalsContact O-N 3.14Å; C332-A334 VanDerWaalsContact C-N 3.35Å; C332-D335 PolarHBondContact O-N 3.07Å; C332-G336 PolarHBondContact O-N 2.9Å; C332-A337 HydrophobicContact CB-CB 3.98Å; C332-A337 WeakPolarHBondContact O-CB 3.13Å; C332-A337 PolarHBondContact O-N 3.01Å; C332-Q342 HydrophobicContact CB-CG 4.26Å |
| 333 | L | 93.9 | Very high | 94 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 173.6 | -69 | 173.6 | 0 | 0 | 0 | 111.3 | A298 T299 L302 V329 K331 D335 G336 E339 Q342 | A298-L333 HydrophobicContact CB-CD1 3.91Å; A298-L333 HydrophobicContact CB-CD2 3.87Å; T299-L333 HydrophobicContact CG2-CB 4.34Å; T299-L333 HydrophobicContact CG2-CD1 4.38Å; L302-L333 HydrophobicContact CD2-CD1 4.4Å; V329-L333 HydrophobicContact CG1-CD1 3.92Å; V329-L333 HydrophobicContact CG1-CG 4.23Å; V329-L333 VanDerWaalsContact O-CG 3.31Å; V329-L333 WeakPolarHBondContact O-CG 3.13Å; V329-L333 PolarHBondContact O-N 3.35Å; K331-L333 VanDerWaalsContact C-N 3.3Å; K331-L333 PolarHBondContact O-N 3.4Å; L333-D335 VanDerWaalsContact C-N 3.29Å; L333-D335 PolarHBondContact O-N 3.2Å; L333-G336 PolarHBondContact O-N 3.26Å; L333-G336 VanDerWaalsContact O-N 3.09Å; L333-E339 HydrophobicContact CD2-CG 4.14Å; L333-Q342 HydrophobicContact CD2-CB 4.01Å; L333-Q342 HydrophobicContact CD2-CG 4.2Å; L333-Q342 HydrophobicContact CG-CB 4.41Å |
| 334 | A | 92.6 | Very high | 94 | Very high | 87 Ų | 87 | 60 Ų | 60 | 72% | 0.719 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.2 | -31.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G330 K331 C332 G336 | G330-A334 PolarHBondContact O-N 2.9Å; K331-A334 WeakPolarHBondContact O-CB 3.14Å; K331-A334 PolarHBondContact O-N 2.89Å; K331-A334 VanDerWaalsContact O-N 3.09Å; C332-A334 VanDerWaalsContact C-N 3.35Å; A334-G336 PolarHBondContact O-N 2.95Å |
| 335 | D | 94.3 | Very high | 93.9 | Very high | 123 Ų | 123 | 55.4 Ų | 55.4 | 66% | 0.658 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -3.6 | 174.4 | -68.9 | -25.5 | 0 | 0 | 0 | 112.9 | K331 C332 L333 | K331-D335 PolarHBondContact O-N 3.39Å; C332-D335 PolarHBondContact O-N 3.07Å; L333-D335 VanDerWaalsContact C-N 3.29Å; L333-D335 PolarHBondContact O-N 3.2Å |
| 336 | G | 92.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 68% | 0.68 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 27.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C332 L333 A334 | C332-G336 PolarHBondContact O-N 2.9Å; L333-G336 PolarHBondContact O-N 3.26Å; L333-G336 VanDerWaalsContact O-N 3.09Å; A334-G336 PolarHBondContact O-N 2.95Å |
| 337 | A | 94.3 | Very high | 93.8 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 28% | 0.281 | 32% | 0.322 | S | S | . | . | trans | -69.3 | 161.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C332 E339 Q342 | C332-A337 HydrophobicContact CB-CB 3.98Å; C332-A337 WeakPolarHBondContact O-CB 3.13Å; C332-A337 PolarHBondContact O-N 3.01Å; A337-E339 PolarHBondContact O-N 3.18Å; A337-Q342 HydrophobicContact CB-CG 3.88Å | ||
| 338 | D | 93.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | trans | -62.9 | 121 | 179.3 | -176.4 | -86 | 0 | 0 | 0 | 112.6 | Y340 L341 Q342 | D338-Y340 PolarHBondContact O-N 3.33Å; D338-Y340 WeakPolarHBondContact OD1-CB 2.97Å; D338-Y340 PolarHBondContact OD1-N 2.95Å; D338-Y340 VanDerWaalsContact OD1-N 3.08Å; D338-L341 HydrophobicContact CB-CB 4.31Å; D338-L341 HydrophobicContact CB-CD1 4.17Å; D338-L341 HydrophobicContact CB-CG 4.34Å; D338-L341 PolarHBondContact O-N 3.22Å; D338-L341 WeakPolarHBondContact OD1-CG 3.33Å; D338-L341 PolarHBondContact OD1-N 3.23Å; D338-Q342 WeakPolarHBondContact O-CB 3.35Å; D338-Q342 VanDerWaalsContact O-CG 3.24Å; D338-Q342 WeakPolarHBondContact O-CG 3.27Å; D338-Q342 PolarHBondContact O-N 3.03Å; D338-Q342 VanDerWaalsContact O-N 3.1Å | ||
| 339 | E | 92.2 | Very high | 93.4 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 38% | 0.379 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | -175.1 | -67.6 | -169.9 | 170.6 | 0 | 0 | 112.9 | A298 L333 A337 M343 | A298-E339 HydrophobicContact CB-CB 3.8Å; A298-E339 HydrophobicContact CB-CG 3.86Å; L333-E339 HydrophobicContact CD2-CG 4.14Å; A337-E339 PolarHBondContact O-N 3.18Å; E339-M343 WeakPolarHBondContact O-CB 3.44Å; E339-M343 VanDerWaalsContact O-CG 3.23Å; E339-M343 WeakPolarHBondContact O-CG 3.46Å; E339-M343 PolarHBondContact O-N 2.73Å |
| 340 | Y | 93.5 | Very high | 93.2 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 19% | 0.192 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -48.5 | -177.4 | 169.7 | -100.8 | 0 | 0 | 0 | 111.3 | E285 V288 R289 D338 Q342 M343 L344 | E285-Y340 WeakPolarHBondContact CG-OH 3.28Å; E285-Y340 PolarHBondContact OE1-OH 2.68Å; V288-Y340 HydrophobicContact CG1-CD2 3.96Å; V288-Y340 HydrophobicContact CG1-CE2 4.24Å; R289-Y340 HydrophobicContact CB-CE2 4.05Å; R289-Y340 PolarHBondContact NH2-OH 2.62Å; D338-Y340 PolarHBondContact O-N 3.33Å; D338-Y340 WeakPolarHBondContact OD1-CB 2.97Å; D338-Y340 PolarHBondContact OD1-N 2.95Å; D338-Y340 VanDerWaalsContact OD1-N 3.08Å; Y340-Q342 PolarHBondContact O-N 3.33Å; Y340-M343 PolarHBondContact O-N 3.26Å; Y340-L344 HydrophobicContact CE1-CD2 4.33Å; Y340-L344 VanDerWaalsContact O-CB 3.29Å; Y340-L344 WeakPolarHBondContact O-CB 3.32Å; Y340-L344 PolarHBondContact O-N 3.36Å |
| 341 | L | 93.6 | Very high | 93 | Very high | 104 Ų | 104 | 49.8 Ų | 49.8 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | -180 | -67.1 | 178.3 | 0 | 0 | 0 | 112.1 | D338 S345 | D338-L341 HydrophobicContact CB-CB 4.31Å; D338-L341 HydrophobicContact CB-CD1 4.17Å; D338-L341 HydrophobicContact CB-CG 4.34Å; D338-L341 PolarHBondContact O-N 3.22Å; D338-L341 WeakPolarHBondContact OD1-CG 3.33Å; D338-L341 PolarHBondContact OD1-N 3.23Å; L341-S345 WeakPolarHBondContact O-CB 3.36Å; L341-S345 PolarHBondContact O-N 2.64Å |
| 342 | Q | 94.1 | Very high | 92.6 | Very high | 40 Ų | 40 | 49 Ų | 49 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 178.8 | -67.4 | -53.1 | -38 | 0 | 0 | 111.9 | V329 C332 L333 A337 D338 Y340 S345 L346 | V329-Q342 HydrophobicContact CG1-CB 4Å; C332-Q342 HydrophobicContact CB-CG 4.26Å; L333-Q342 HydrophobicContact CD2-CB 4.01Å; L333-Q342 HydrophobicContact CD2-CG 4.2Å; L333-Q342 HydrophobicContact CG-CB 4.41Å; A337-Q342 HydrophobicContact CB-CG 3.88Å; D338-Q342 WeakPolarHBondContact O-CB 3.35Å; D338-Q342 VanDerWaalsContact O-CG 3.24Å; D338-Q342 WeakPolarHBondContact O-CG 3.27Å; D338-Q342 PolarHBondContact O-N 3.03Å; D338-Q342 VanDerWaalsContact O-N 3.1Å; Y340-Q342 PolarHBondContact O-N 3.33Å; Q342-S345 PolarHBondContact O-N 2.66Å; Q342-L346 PolarHBondContact O-N 2.69Å |
| 343 | M | 92.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 177.2 | -70 | -52.2 | -56.1 | 0 | 0 | 112.4 | V288 A298 I301 L305 E339 Y340 S345 L346 C347 | V288-M343 HydrophobicContact CG1-CB 3.86Å; A298-M343 HydrophobicContact CB-CG 3.68Å; A298-M343 HydrophobicContact CB-SD 3.92Å; I301-M343 HydrophobicContact CB-CE 3.84Å; I301-M343 HydrophobicContact CB-SD 4.49Å; I301-M343 HydrophobicContact CG2-CE 3.43Å; I301-M343 VanDerWaalsContact CG2-CE 3.43Å; L305-M343 HydrophobicContact CD1-CE 3.96Å; E339-M343 WeakPolarHBondContact O-CB 3.44Å; E339-M343 VanDerWaalsContact O-CG 3.23Å; E339-M343 WeakPolarHBondContact O-CG 3.46Å; E339-M343 PolarHBondContact O-N 2.73Å; Y340-M343 PolarHBondContact O-N 3.26Å; M343-S345 VanDerWaalsContact C-N 3.34Å; M343-L346 HydrophobicContact CE-CD2 4.22Å; M343-L346 PolarHBondContact O-N 3.35Å; M343-C347 WeakPolarHBondContact O-CB 3.44Å; M343-C347 PolarHBondContact O-N 3.3Å; M343-C347 PolarHBondContact O-SG 3.42Å |
| 344 | L | 93.2 | Very high | 91.4 | Very high | 21 Ų | 21 | 48.5 Ų | 48.5 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 174.6 | -174.2 | 64.4 | 0 | 0 | 0 | 111.2 | F281 L284 Y340 C347 S348 | F281-L344 HydrophobicContact CE2-CD1 4.17Å; F281-L344 HydrophobicContact CZ-CD1 4.14Å; F281-L344 HydrophobicContact CZ-CD2 4.21Å; F281-L344 HydrophobicContact CZ-CG 4.35Å; L284-L344 HydrophobicContact CD2-CD1 4.34Å; L284-L344 HydrophobicContact CG-CD1 4.36Å; Y340-L344 HydrophobicContact CE1-CD2 4.33Å; Y340-L344 VanDerWaalsContact O-CB 3.29Å; Y340-L344 WeakPolarHBondContact O-CB 3.32Å; Y340-L344 PolarHBondContact O-N 3.36Å; L344-C347 PolarHBondContact O-N 2.84Å; L344-S348 WeakPolarHBondContact O-CB 3.35Å; L344-S348 PolarHBondContact O-N 2.82Å; L344-S348 PolarHBondContact O-OG 3.48Å |
| 345 | S | 93.8 | Very high | 90.2 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.1 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | K325 L341 Q342 M343 S348 V349 | K325-S345 WeakPolarHBondContact CE-OG 3.24Å; K325-S345 PolarHBondContact NZ-OG 3.32Å; L341-S345 WeakPolarHBondContact O-CB 3.36Å; L341-S345 PolarHBondContact O-N 2.64Å; Q342-S345 PolarHBondContact O-N 2.66Å; M343-S345 VanDerWaalsContact C-N 3.34Å; S345-S348 PolarHBondContact O-N 2.9Å; S345-V349 PolarHBondContact O-N 3.03Å |
| 346 | L | 93.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -52.5 | 176.1 | 175.3 | 59 | 0 | 0 | 0 | 111.6 | L302 L305 K325 M326 V329 Q342 M343 S348 V349 I350 | L302-L346 HydrophobicContact CD1-CD2 3.42Å; L302-L346 VanDerWaalsContact CD1-CD2 3.42Å; L305-L346 HydrophobicContact CD1-CD2 4.36Å; K325-L346 HydrophobicContact CB-CD1 4.36Å; K325-L346 HydrophobicContact CG-CD1 4.01Å; M326-L346 HydrophobicContact CB-CD1 4.4Å; M326-L346 HydrophobicContact CE-CD2 4.5Å; M326-L346 HydrophobicContact CG-CD1 3.43Å; M326-L346 VanDerWaalsContact CG-CD1 3.43Å; M326-L346 HydrophobicContact CG-CD2 4.07Å; M326-L346 HydrophobicContact CG-CG 4.39Å; V329-L346 HydrophobicContact CG2-CB 4.22Å; Q342-L346 PolarHBondContact O-N 2.69Å; M343-L346 HydrophobicContact CE-CD2 4.22Å; M343-L346 PolarHBondContact O-N 3.35Å; L346-S348 PolarHBondContact O-N 2.97Å; L346-V349 PolarHBondContact O-N 3.38Å; L346-V349 VanDerWaalsContact O-N 3.1Å; L346-I350 HydrophobicContact CD1-CD1 4.14Å; L346-I350 HydrophobicContact CD1-CG1 4.35Å; L346-I350 HydrophobicContact CG-CD1 3.99Å; L346-I350 WeakPolarHBondContact O-CG1 3.35Å; L346-I350 PolarHBondContact O-N 2.92Å |
| 347 | C | 91.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -30.8 | -176.1 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | L284 M343 L344 I350 M351 | L284-C347 HydrophobicContact CD1-CB 3.38Å; L284-C347 HydrophobicContact CD2-CB 3.64Å; L284-C347 HydrophobicContact CG-CB 3.96Å; M343-C347 WeakPolarHBondContact O-CB 3.44Å; M343-C347 PolarHBondContact O-N 3.3Å; M343-C347 PolarHBondContact O-SG 3.42Å; L344-C347 PolarHBondContact O-N 2.84Å; C347-I350 PolarHBondContact O-N 3.47Å; C347-M351 WeakPolarHBondContact O-CB 3.45Å; C347-M351 PolarHBondContact O-N 2.92Å |
| 348 | S | 91.7 | Very high | 86.1 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 173.8 | -58.8 | 0 | 0 | 0 | 0 | 112 | F281 L344 S345 L346 M351 Q352 | F281-S348 WeakPolarHBondContact CE2-OG 3.01Å; L344-S348 WeakPolarHBondContact O-CB 3.35Å; L344-S348 PolarHBondContact O-N 2.82Å; L344-S348 PolarHBondContact O-OG 3.48Å; S345-S348 PolarHBondContact O-N 2.9Å; L346-S348 PolarHBondContact O-N 2.97Å; S348-M351 PolarHBondContact O-N 3.3Å; S348-Q352 WeakPolarHBondContact O-CG 3.26Å; S348-Q352 PolarHBondContact O-N 3.42Å |
| 349 | V | 91.3 | Very high | 85.7 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | K325 S345 L346 M351 Q352 Q353 | K325-V349 HydrophobicContact CB-CB 4.5Å; K325-V349 HydrophobicContact CB-CG1 4.11Å; K325-V349 HydrophobicContact CD-CG2 4.09Å; K325-V349 HydrophobicContact CG-CB 4.03Å; K325-V349 HydrophobicContact CG-CG1 4.19Å; K325-V349 HydrophobicContact CG-CG2 3.9Å; S345-V349 PolarHBondContact O-N 3.03Å; L346-V349 PolarHBondContact O-N 3.38Å; L346-V349 VanDerWaalsContact O-N 3.1Å; V349-M351 VanDerWaalsContact C-N 3.27Å; V349-M351 PolarHBondContact O-N 3.42Å; V349-Q352 PolarHBondContact O-N 2.93Å; V349-Q353 HydrophobicContact CG1-CG 4.38Å; V349-Q353 WeakPolarHBondContact O-CG 3.25Å; V349-Q353 PolarHBondContact O-N 3.16Å |
| 350 | I | 90 | Very high | 85.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 174.7 | -63 | 170.4 | 0 | 0 | 0 | 110.3 | C276 I309 I322 L346 C347 Q353 A354 | C276-I350 HydrophobicContact CB-CB 4.4Å; C276-I350 HydrophobicContact CB-CG2 3.77Å; I309-I350 HydrophobicContact CD1-CD1 4.09Å; I322-I350 HydrophobicContact CD1-CG1 4.4Å; I322-I350 HydrophobicContact CD1-CG2 4.42Å; I322-I350 HydrophobicContact CG1-CG1 4.19Å; I322-I350 HydrophobicContact CG2-CD1 4.27Å; I322-I350 HydrophobicContact CG2-CG1 3.79Å; L346-I350 HydrophobicContact CD1-CD1 4.14Å; L346-I350 HydrophobicContact CD1-CG1 4.35Å; L346-I350 HydrophobicContact CG-CD1 3.99Å; L346-I350 WeakPolarHBondContact O-CG1 3.35Å; L346-I350 PolarHBondContact O-N 2.92Å; C347-I350 PolarHBondContact O-N 3.47Å; I350-Q353 PolarHBondContact O-N 3.42Å; I350-A354 WeakPolarHBondContact O-CB 3.37Å; I350-A354 PolarHBondContact O-N 3.18Å |
| 351 | M | 89.7 | Confident | 84.8 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 26% | 0.261 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 178.4 | -177.2 | 176.6 | 175.2 | 0 | 0 | 112.9 | C276 G279 C347 S348 V349 A354 G355 | C276-M351 VanDerWaalsContact O-CA 3.29Å; C276-M351 WeakPolarHBondContact O-CA 3.28Å; C276-M351 WeakPolarHBondContact O-CB 3.38Å; C276-M351 WeakPolarHBondContact O-CG 3.46Å; G279-M351 WeakPolarHBondContact O-CE 3.36Å; C347-M351 WeakPolarHBondContact O-CB 3.45Å; C347-M351 PolarHBondContact O-N 2.92Å; S348-M351 PolarHBondContact O-N 3.3Å; V349-M351 VanDerWaalsContact C-N 3.27Å; V349-M351 PolarHBondContact O-N 3.42Å; M351-A354 PolarHBondContact O-N 2.86Å; M351-G355 PolarHBondContact O-N 3.5Å; M351-G355 VanDerWaalsContact O-N 3.12Å |
| 352 | Q | 88.4 | Confident | 84.3 | Confident | 121 Ų | 121 | 45.1 Ų | 45.1 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 175.1 | -74.9 | 174.6 | -8 | 0 | 0 | 112 | S348 V349 A354 G355 Q356 | S348-Q352 WeakPolarHBondContact O-CG 3.26Å; S348-Q352 PolarHBondContact O-N 3.42Å; V349-Q352 PolarHBondContact O-N 2.93Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-G355 PolarHBondContact O-N 3.14Å; Q352-Q356 WeakPolarHBondContact O-CG 3.34Å; Q352-Q356 PolarHBondContact O-N 3.5Å |
| 353 | Q | 84.6 | Confident | 83.6 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 178.4 | -67.9 | -58.8 | -40.2 | 0 | 0 | 111.8 | Q318 A321 I322 V349 I350 G355 Q356 | Q318-Q353 HydrophobicContact CG-CB 4.42Å; Q318-Q353 PolarHBondContact NE2-O 3.47Å; Q318-Q353 VanDerWaalsContact NE2-O 3.1Å; A321-Q353 HydrophobicContact CB-CG 4.2Å; I322-Q353 HydrophobicContact CD1-CB 4.33Å; I322-Q353 HydrophobicContact CG1-CB 4.29Å; I322-Q353 HydrophobicContact CG1-CG 4.24Å; V349-Q353 HydrophobicContact CG1-CG 4.38Å; V349-Q353 WeakPolarHBondContact O-CG 3.25Å; V349-Q353 PolarHBondContact O-N 3.16Å; I350-Q353 PolarHBondContact O-N 3.42Å; Q353-G355 VanDerWaalsContact C-N 3.34Å; Q353-G355 PolarHBondContact O-N 2.87Å; Q353-Q356 PolarHBondContact O-N 3.38Å |
| 354 | A | 77.6 | Confident | 83 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 12% | 0.116 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F277 I350 M351 Q352 Q356 S357 | F277-A354 HydrophobicContact CB-CB 4.43Å; F277-A354 HydrophobicContact CD1-CB 3.3Å; F277-A354 HydrophobicContact CE1-CB 3.69Å; F277-A354 HydrophobicContact CG-CB 4.11Å; I350-A354 WeakPolarHBondContact O-CB 3.37Å; I350-A354 PolarHBondContact O-N 3.18Å; M351-A354 PolarHBondContact O-N 2.86Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; A354-Q356 VanDerWaalsContact C-N 3.28Å; A354-Q356 PolarHBondContact O-N 2.99Å; A354-S357 PolarHBondContact O-N 2.99Å; A354-S357 PolarHBondContact O-OG 3.28Å; A354-S357 VanDerWaalsContact O-OG 3.07Å |
| 355 | G | 67.1 | Low | 82.2 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 69% | 0.691 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | M351 Q352 Q353 S357 | M351-G355 PolarHBondContact O-N 3.5Å; M351-G355 VanDerWaalsContact O-N 3.12Å; Q352-G355 PolarHBondContact O-N 3.14Å; Q353-G355 VanDerWaalsContact C-N 3.34Å; Q353-G355 PolarHBondContact O-N 2.87Å; G355-S357 VanDerWaalsContact C-N 3.35Å |
| 356 | Q | 59.4 | Low | 81.2 | Confident | 137 Ų | 137 | 51.3 Ų | 51.3 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.9 | 174.9 | -71.5 | 175.5 | 4.2 | 0 | 0 | 113 | Q352 Q353 A354 | Q352-Q356 WeakPolarHBondContact O-CG 3.34Å; Q352-Q356 PolarHBondContact O-N 3.5Å; Q353-Q356 PolarHBondContact O-N 3.38Å; A354-Q356 VanDerWaalsContact C-N 3.28Å; A354-Q356 PolarHBondContact O-N 2.99Å |
| 357 | S | 50.1 | Low | 80.1 | Confident | 135 Ų | 135 | 56 Ų | 56 | 94% | 0.944 | 34% | 0.34 | S | S | * | . | trans | -81.1 | 0 | 177.3 | -45.4 | 0 | 0 | 0 | 0 | 113.2 | Q318 A354 G355 | Q318-S357 PolarHBondContact NE2-OG 3.42Å; A354-S357 PolarHBondContact O-N 2.99Å; A354-S357 PolarHBondContact O-OG 3.28Å; A354-S357 VanDerWaalsContact O-OG 3.07Å; G355-S357 VanDerWaalsContact C-N 3.35Å |
Retrieved 357 of 357 residues in 349.6 ms
(Link to these results)