| 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 | 47.1 | Very low | 54.9 | Low | 243 Ų | 243 | 170.1 Ų | 170.1 | 100% | 1.197 | 81% | 0.806 | S | S | * | * | 0 | 134.7 | 0 | -64.9 | -164.2 | 109.2 | 0 | 0 | 108.3 | |||||
| 2 | S | 48.4 | Very low | 55.5 | Low | 93 Ų | 93 | 164.8 Ų | 164.8 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | trans | 33.9 | 103.1 | 158.2 | -144 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 3 | L | 52.5 | Low | 54.9 | Low | 154 Ų | 154 | 167.8 Ų | 167.8 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | 52.4 | 116.9 | 87 | -61.5 | 173.1 | 0 | 0 | 0 | 112.5 | |||||
| 4 | F | 53 | Low | 55 | Low | 181 Ų | 181 | 164.1 Ų | 164.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 166.4 | 94.1 | 131.9 | -92.8 | -74.4 | 0 | 0 | 0 | 106.4 | ||||
| 5 | R | 56 | Low | 55 | Low | 214 Ų | 214 | 164.7 Ų | 164.7 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | 52 | 100.4 | 94.7 | -80 | -173.1 | 171.5 | -167.3 | -1.5 | 111.1 | |||||
| 6 | L | 54.5 | Low | 54.9 | Low | 143 Ų | 143 | 158.6 Ų | 158.6 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | 76.1 | 130.1 | 82.8 | -89.4 | 174 | 0 | 0 | 0 | 113 | |||||
| 7 | I | 65.5 | Low | 55.2 | Low | 142 Ų | 142 | 159.8 Ų | 159.8 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | trans | 73.7 | 121.3 | 158.6 | -29.7 | 121.6 | 0 | 0 | 0 | 113.2 | ||||
| 8 | Y | 58.6 | Low | 55.2 | Low | 213 Ų | 213 | 159.8 Ų | 159.8 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | 170.5 | 126.4 | 88.5 | -144.5 | -105.9 | 0 | 0 | 0 | 102.7 | |||||
| 9 | S | 54 | Low | 55.5 | Low | 93 Ų | 93 | 155.7 Ų | 155.7 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | 168.1 | 110.2 | 70.5 | -173.5 | 0 | 0 | 0 | 0 | 105.3 | R11 | S9-R11 PolarHBondContact O-N 2.76Š| |||
| 10 | Q | 62.6 | Low | 55.7 | Low | 180 Ų | 180 | 154.6 Ų | 154.6 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -74.3 | 109.3 | 168.7 | -64 | -178.6 | 18.6 | 0 | 0 | 106.8 | T12 | Q10-T12 VanDerWaalsContact C-N 3.26Å; Q10-T12 PolarHBondContact O-N 3.26Å | ||
| 11 | R | 51.9 | Low | 56 | Low | 215 Ų | 215 | 157.3 Ų | 157.3 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -74.2 | 85.6 | 171.9 | -174 | 176.5 | -71.4 | -130.6 | -0.2 | 107.9 | S9 W13 | S9-R11 PolarHBondContact O-N 2.76Å; R11-W13 PolarHBondContact O-N 3.1Å | ||
| 12 | T | 61.6 | Low | 56.7 | Low | 107 Ų | 107 | 152.2 Ų | 152.2 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | trans | -70.1 | 119.1 | 169.5 | 51.2 | 0 | 0 | 0 | 0 | 108.4 | Q10 S14 | Q10-T12 VanDerWaalsContact C-N 3.26Å; Q10-T12 PolarHBondContact O-N 3.26Å; T12-S14 PolarHBondContact O-N 3.45Å; T12-S14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | W | 48.2 | Very low | 57.5 | Low | 203 Ų | 203 | 156 Ų | 156 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -73 | 100.4 | 173.5 | -69.6 | 62.2 | 0 | 0 | 0 | 107.7 | R11 F15 | R11-W13 PolarHBondContact O-N 3.1Å; W13-F15 HydrophobicContact CB-CD2 4.03Å; W13-F15 HydrophobicContact CB-CE2 4.04Å; W13-F15 AromaticContact CE3-CE2 3.94Å; W13-F15 HydrophobicContact CE3-CE2 3.94Å; W13-F15 HydrophobicContact CE3-CZ 4.24Å; W13-F15 PolarHBondContact O-N 3.26Å | ||
| 14 | S | 55.7 | Low | 58.4 | Low | 116 Ų | 116 | 156.4 Ų | 156.4 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -67.6 | 85.2 | 166.9 | -53.1 | 0 | 0 | 0 | 0 | 108.2 | T12 G16 | T12-S14 PolarHBondContact O-N 3.45Å; T12-S14 VanDerWaalsContact O-N 3.1Å; S14-G16 VanDerWaalsContact C-N 3.29Å; S14-G16 PolarHBondContact O-N 3.01Å | ||
| 15 | F | 56.1 | Low | 59.2 | Low | 173 Ų | 173 | 153.7 Ų | 153.7 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -70.7 | 96.3 | 161.4 | -86.2 | -83.7 | 0 | 0 | 0 | 107 | W13 H17 | W13-F15 HydrophobicContact CB-CD2 4.03Å; W13-F15 HydrophobicContact CB-CE2 4.04Å; W13-F15 AromaticContact CE3-CE2 3.94Å; W13-F15 HydrophobicContact CE3-CE2 3.94Å; W13-F15 HydrophobicContact CE3-CZ 4.24Å; W13-F15 PolarHBondContact O-N 3.26Å; F15-H17 PolarHBondContact O-N 3.24Å | ||
| 16 | G | 53 | Low | 59.8 | Low | 67 Ų | 67 | 151.4 Ų | 151.4 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -51.2 | 114 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S14 L18 | S14-G16 VanDerWaalsContact C-N 3.29Å; S14-G16 PolarHBondContact O-N 3.01Å; G16-L18 PolarHBondContact O-N 2.93Å | ||
| 17 | H | 59.7 | Low | 60.7 | Low | 180 Ų | 180 | 152 Ų | 152 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | trans | -71.2 | 76.3 | 174.4 | -170.8 | -85 | 0 | 0 | 0 | 108.9 | F15 S19 | F15-H17 PolarHBondContact O-N 3.24Å; H17-S19 PolarHBondContact O-N 3.04Å; H17-S19 VanDerWaalsContact O-N 3.16Å | ||
| 18 | L | 54.7 | Low | 61.2 | Low | 159 Ų | 159 | 154.5 Ų | 154.5 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -79.3 | 93.2 | 168.3 | -100.3 | 153 | 0 | 0 | 0 | 108.4 | G16 T20 | G16-L18 PolarHBondContact O-N 2.93Å; L18-T20 PolarHBondContact O-N 3.32Å | ||
| 19 | S | 61.3 | Low | 62 | Low | 82 Ų | 82 | 149.8 Ų | 149.8 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | trans | -59.9 | 93.4 | 168 | 157.5 | 0 | 0 | 0 | 0 | 110.3 | H17 | H17-S19 PolarHBondContact O-N 3.04Å; H17-S19 VanDerWaalsContact O-N 3.16Å | ||
| 20 | T | 59.9 | Low | 63.1 | Low | 133 Ų | 133 | 150.8 Ų | 150.8 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -92.8 | 103.5 | 153.3 | 37.7 | 0 | 0 | 0 | 0 | 108.5 | L18 | L18-T20 PolarHBondContact O-N 3.32Š| ||
| 21 | R | 61.7 | Low | 63.7 | Low | 212 Ų | 212 | 147.1 Ų | 147.1 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -51.5 | 136.1 | 169.1 | -67.3 | 177.6 | 172.1 | -155.9 | -2.4 | 110.2 | ||||
| 22 | L | 61.1 | Low | 64.7 | Low | 136 Ų | 136 | 142 Ų | 142 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | 57.1 | 74.3 | 141.5 | -82.6 | 151.3 | 0 | 0 | 0 | 116.9 | ||||
| 23 | L | 66.5 | Low | 65 | Low | 172 Ų | 172 | 144.1 Ų | 144.1 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | -117.8 | 96.6 | 145.2 | -68.3 | 175.1 | 0 | 0 | 0 | 108 | P25 | L23-P25 WeakPolarHBondContact O-CD 3.48Š| ||
| 24 | K | 70.4 | Confident | 65.7 | Low | 163 Ų | 163 | 141.6 Ų | 141.6 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -67.5 | 121.6 | 165.4 | -73.5 | 175.6 | 179.7 | 178.3 | 0 | 106.8 | L26 | K24-L26 PolarHBondContact O-N 3.32Š| ||
| 25 | P | 71.1 | Confident | 66 | Low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -65.1 | 103.7 | 171.4 | 26.1 | -30.7 | 0 | 0 | 0 | 108 | L23 L27 | L23-P25 WeakPolarHBondContact O-CD 3.48Å; P25-L27 PolarHBondContact O-N 3.03Å | ||
| 26 | L | 67.1 | Low | 66.3 | Low | 165 Ų | 165 | 138.5 Ų | 138.5 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -81.1 | 2.9 | -175.1 | -94.5 | 137.6 | 0 | 0 | 0 | 113.9 | K24 | K24-L26 PolarHBondContact O-N 3.32Š| ||
| 27 | L | 73.1 | Confident | 66.8 | Low | 156 Ų | 156 | 139.2 Ų | 139.2 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | -115.5 | 104.6 | 178.1 | -72.9 | 125.3 | 0 | 0 | 0 | 109.3 | P25 | P25-L27 PolarHBondContact O-N 3.03Š| ||
| 28 | K | 76.3 | Confident | 67.2 | Low | 194 Ų | 194 | 135 Ų | 135 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 127.5 | 159 | -69.1 | 177 | -179.8 | 179 | 0 | 106.5 | ||
| 29 | P | 76.6 | Confident | 68.5 | Low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 137.5 | 173.5 | 25.4 | -32.6 | 0 | 0 | 0 | 108.2 | S31 | P29-S31 PolarHBondContact O-N 2.97Š|
| 30 | P | 77.2 | Confident | 69.9 | Low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 126.7 | 172.7 | 24.2 | -31.8 | 0 | 0 | 0 | 107.7 | V32 | P30-V32 VanDerWaalsContact C-N 3.26Å; P30-V32 PolarHBondContact O-N 3.02Å |
| 31 | S | 75.6 | Confident | 71.6 | Confident | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 71% | 0.713 | S | S | * | * | trans | -63.5 | 95.2 | 168.9 | 52.4 | 0 | 0 | 0 | 0 | 107.1 | P29 N33 | P29-S31 PolarHBondContact O-N 2.97Å; S31-N33 PolarHBondContact O-N 3.3Å | ||
| 32 | V | 72.2 | Confident | 73.2 | Confident | 109 Ų | 109 | 125.8 Ų | 125.8 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | trans | -65.5 | 104.5 | 172 | -177.4 | 0 | 0 | 0 | 0 | 105.4 | P30 L34 | P30-V32 VanDerWaalsContact C-N 3.26Å; P30-V32 PolarHBondContact O-N 3.02Å; V32-L34 HydrophobicContact CB-CD1 4.23Å; V32-L34 HydrophobicContact CG1-CD1 3.88Å; V32-L34 HydrophobicContact CG1-CG 4.43Å; V32-L34 PolarHBondContact O-N 2.99Å | ||
| 33 | N | 67.8 | Low | 74.8 | Confident | 150 Ų | 150 | 123.4 Ų | 123.4 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | trans | -63.8 | 89.3 | 163.3 | -72.9 | -44.9 | 0 | 0 | 0 | 105.9 | S31 G35 | S31-N33 PolarHBondContact O-N 3.3Å; N33-G35 PolarHBondContact O-N 3.38Å | ||
| 34 | L | 62.4 | Low | 76.1 | Confident | 151 Ų | 151 | 126.1 Ų | 126.1 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -64.8 | 80.4 | 157.9 | -85.7 | 98.8 | 0 | 0 | 0 | 105.5 | V32 I36 | V32-L34 HydrophobicContact CB-CD1 4.23Å; V32-L34 HydrophobicContact CG1-CD1 3.88Å; V32-L34 HydrophobicContact CG1-CG 4.43Å; V32-L34 PolarHBondContact O-N 2.99Å; L34-I36 PolarHBondContact O-N 3.07Å | ||
| 35 | G | 62.5 | Low | 77.2 | Confident | 56 Ų | 56 | 123.3 Ų | 123.3 | 58% | 0.577 | 68% | 0.681 | S | S | * | * | trans | -47.3 | 134 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | N33 A37 | N33-G35 PolarHBondContact O-N 3.38Å; G35-A37 PolarHBondContact O-N 3.1Å | ||
| 36 | I | 62.4 | Low | 78.4 | Confident | 167 Ų | 167 | 118.3 Ų | 118.3 | 86% | 0.856 | 65% | 0.647 | S | S | * | * | trans | -52.9 | 89.9 | -171.9 | -60 | 157.5 | 0 | 0 | 0 | 108 | L34 E38 | L34-I36 PolarHBondContact O-N 3.07Å; I36-E38 PolarHBondContact O-N 3.2Å; I36-E38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | A | 62.2 | Low | 79.8 | Confident | 83 Ų | 83 | 116.3 Ų | 116.3 | 69% | 0.686 | 63% | 0.633 | S | S | * | * | trans | -70.5 | 112.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 103.7 | G35 S39 | G35-A37 PolarHBondContact O-N 3.1Å; A37-S39 PolarHBondContact O-N 2.97Å | ||
| 38 | E | 68.3 | Low | 80.9 | Confident | 91 Ų | 91 | 112.9 Ų | 112.9 | 43% | 0.425 | 62% | 0.615 | S | S | . | * | trans | -58.1 | 102.6 | 178.9 | -63.7 | 172.8 | 123.6 | 0 | 0 | 108.3 | I36 G70 K73 | I36-E38 PolarHBondContact O-N 3.2Å; I36-E38 VanDerWaalsContact O-N 3.08Å; E38-G70 WeakPolarHBondContact OE1-CA 3.34Å; E38-G70 PolarHBondContact OE1-N 2.93Å; E38-G70 WeakPolarHBondContact OE2-CA 3.41Å; E38-K73 HydrophobicContact CB-CD 4.22Å; E38-K73 IonicContact OE2-NZ 2.91Å; E38-K73 PolarHBondContact OE2-NZ 3.39Å | ||
| 39 | S | 83.2 | Confident | 81.9 | Confident | 99 Ų | 99 | 108.7 Ų | 108.7 | 69% | 0.692 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 137.3 | -176.1 | 61.2 | 0 | 0 | 0 | 0 | 110.1 | A37 | A37-S39 PolarHBondContact O-N 2.97Š|
| 40 | Y | 91.3 | Very high | 82.8 | Confident | 86 Ų | 86 | 104.9 Ų | 104.9 | 34% | 0.337 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -66 | 136.3 | 172.7 | -66.1 | -92.9 | 0 | 0 | 0 | 111.1 | H63 E65 K73 M75 | Y40-H63 AromaticContact CE1-ND1 3.96Å; Y40-E65 WeakPolarHBondContact CE1-OE1 3.09Å; Y40-E65 PolarHBondContact OH-OE1 3.44Å; Y40-K73 HydrophobicContact CD1-CB 3.65Å; Y40-K73 HydrophobicContact CD1-CG 4.32Å; Y40-K73 HydrophobicContact CE1-CB 3.82Å; Y40-K73 HydrophobicContact CE1-CD 4.07Å; Y40-K73 HydrophobicContact CE1-CG 3.95Å; Y40-K73 HydrophobicContact CG-CB 4.3Å; Y40-M75 HydrophobicContact CD1-CB 4.33Å; Y40-M75 HydrophobicContact CG-CB 4.34Å |
| 41 | K | 94.5 | Very high | 83.8 | Confident | 113 Ų | 113 | 111.4 Ų | 111.4 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 116.4 | 167.5 | -67.1 | -172.9 | 179.9 | -170.5 | 0 | 109.9 | K43 K73 Q74 M75 | K41-K43 PolarHBondContact O-N 2.89Å; K41-K73 PolarHBondContact N-O 2.96Å; K41-Q74 HydrophobicContact CB-CG 4.32Å; K41-Q74 CarbonylContact O-C 3.53Å; K41-Q74 WeakPolarHBondContact O-CA 3.47Å; K41-M75 PolarHBondContact O-N 2.61Å |
| 42 | V | 94.6 | Very high | 84.9 | Confident | 94 Ų | 94 | 112.1 Ų | 112.1 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 124 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 110 | M75 P77 | V42-M75 CarbonylContact C-O 3.55Å; V42-M75 VanDerWaalsContact CA-O 3.27Å; V42-M75 WeakPolarHBondContact CA-O 3.21Å; V42-P77 HydrophobicContact CG1-CB 3.88Å |
| 43 | K | 95.4 | Very high | 86.1 | Confident | 86 Ų | 86 | 107.3 Ų | 107.3 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | trans | -142.3 | 143.9 | 179.7 | -69.8 | -166.3 | 176 | -171.5 | 0 | 111.6 | K41 V45 L46 Q74 M75 P77 | K41-K43 PolarHBondContact O-N 2.89Å; K43-V45 WeakPolarHBondContact CB-O 3.3Å; K43-L46 HydrophobicContact CB-CD2 4.44Å; K43-Q74 HydrophobicContact CD-CG 4.42Å; K43-M75 PolarHBondContact N-O 3.3Å; K43-P77 VanDerWaalsContact O-CD 3.25Å; K43-P77 WeakPolarHBondContact O-CD 3.23Å | ||
| 44 | R | 93.2 | Very high | 87.5 | Confident | 230 Ų | 230 | 105.4 Ų | 105.4 | 87% | 0.868 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -70 | -33.6 | 173.4 | -66.3 | -174.7 | -177.8 | -172.9 | 1.3 | 112.9 | P77 | R44-P77 HydrophobicContact CG-CG 4.25Š|
| 45 | V | 94.4 | Very high | 89.2 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 62% | 0.624 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -118.5 | 121.1 | 176.6 | -178 | 0 | 0 | 0 | 0 | 108 | K43 | K43-V45 WeakPolarHBondContact CB-O 3.3Š|
| 46 | L | 96 | Very high | 90.8 | Very high | 21 Ų | 21 | 103.3 Ų | 103.3 | 11% | 0.11 | 49% | 0.492 | C | S | . | . | trans | -94.6 | 137.9 | 179.5 | -65 | 174.9 | 0 | 0 | 0 | 110.2 | K43 F55 L62 V64 Q74 E76 | K43-L46 HydrophobicContact CB-CD2 4.44Å; L46-F55 HydrophobicContact CB-CE1 3.81Å; L46-L62 HydrophobicContact CD1-CB 3.7Å; L46-L62 HydrophobicContact CD1-CD2 3.87Å; L46-L62 HydrophobicContact CD1-CG 3.66Å; L46-L62 WeakPolarHBondContact CD1-O 3.4Å; L46-V64 HydrophobicContact CB-CG2 3.78Å; L46-V64 HydrophobicContact CD1-CG2 4.31Å; L46-V64 HydrophobicContact CD2-CG2 4.18Å; L46-V64 HydrophobicContact CG-CG2 4.33Å; L46-Q74 HydrophobicContact CD2-CB 3.37Å; L46-E76 HydrophobicContact CD1-CG 3.86Å; L46-E76 HydrophobicContact CG-CG 4.35Å | ||
| 47 | Q | 96.6 | Very high | 92.4 | Very high | 123 Ų | 123 | 105 Ų | 105 | 58% | 0.575 | 49% | 0.488 | S | S | * | . | trans | -135 | 139.4 | 179.3 | -68.8 | 178.9 | -22.9 | 0 | 0 | 111 | Q74 | Q47-Q74 PolarHBondContact O-NE2 3.08Š| ||
| 48 | L | 97 | Very high | 93.9 | Very high | 83 Ų | 83 | 103.7 Ų | 103.7 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | trans | -79 | 123.4 | 170.8 | -54 | -176.7 | 0 | 0 | 0 | 108.7 | C53 F55 V64 | L48-C53 HydrophobicContact CB-CB 3.97Å; L48-C53 HydrophobicContact CD2-CB 3.68Å; L48-C53 HydrophobicContact CG-CB 4.37Å; L48-F55 HydrophobicContact CD1-CD2 4.25Å; L48-F55 HydrophobicContact CD1-CE2 3.81Å; L48-F55 HydrophobicContact CD1-CZ 4.44Å; L48-F55 HydrophobicContact CD2-CD1 4.33Å; L48-F55 HydrophobicContact CD2-CD2 4.09Å; L48-F55 HydrophobicContact CD2-CE1 4.07Å; L48-F55 HydrophobicContact CD2-CE2 3.82Å; L48-F55 HydrophobicContact CD2-CG 4.34Å; L48-F55 HydrophobicContact CD2-CZ 3.81Å; L48-F55 HydrophobicContact CG-CD2 4.36Å; L48-F55 HydrophobicContact CG-CE2 3.71Å; L48-F55 HydrophobicContact CG-CZ 3.82Å; L48-V64 HydrophobicContact CD2-CG1 3.87Å; L48-V64 HydrophobicContact CD2-CG2 4.24Å | ||
| 49 | R | 96 | Very high | 94.9 | Very high | 106 Ų | 106 | 110.9 Ų | 110.9 | 40% | 0.4 | 49% | 0.494 | S | S | . | . | trans | -100.7 | -16.2 | -177.1 | -72.9 | -174.6 | -93.9 | 162.7 | -8 | 113.8 | R71 H72 | R49-R71 VanDerWaalsContact CZ-O 3.29Å; R49-R71 PolarHBondContact NH1-O 2.8Å; R49-R71 VanDerWaalsContact NH1-O 3.1Å; R49-R71 PolarHBondContact NH2-O 2.91Å; R49-H72 PolarHBondContact NH2-O 3.32Å | ||
| 50 | C | 97 | Very high | 95.2 | Very high | 35 Ų | 35 | 109.7 Ų | 109.7 | 24% | 0.236 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -150.7 | 170.4 | 178.2 | 74.7 | 0 | 0 | 0 | 0 | 110.8 | Y52 C53 C66 H72 | C50-Y52 PolarHBondContact O-N 2.81Å; C50-C53 WeakPolarHBondContact O-CB 3.29Å; C50-C53 PolarHBondContact O-N 2.95Å; C50-C53 PolarHBondContact SG-SG 3.05Å; C50-C66 VanDerWaalsContact SG-SG 3.63Å; C50-H72 PolarHBondContact SG-ND1 2.82Å |
| 51 | R | 97.6 | Very high | 95.3 | Very high | 250 Ų | 250 | 108.4 Ų | 108.4 | 94% | 0.943 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19 | -179.8 | -61.7 | -179.1 | 179.4 | 176.6 | -1.2 | 114.4 | ||
| 52 | Y | 97.4 | Very high | 95.3 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -1.1 | 177.8 | -51.3 | -78.3 | 0 | 0 | 0 | 113 | C50 K68 | C50-Y52 PolarHBondContact O-N 2.81Å; Y52-K68 HydrophobicContact CD2-CB 3.8Å; Y52-K68 HydrophobicContact CD2-CD 3.5Å; Y52-K68 HydrophobicContact CD2-CG 4.29Å; Y52-K68 HydrophobicContact CE2-CB 4.39Å; Y52-K68 HydrophobicContact CE2-CD 3.27Å; Y52-K68 HydrophobicContact CE2-CG 4.44Å; Y52-K68 HydrophobicContact CG-CB 3.95Å; Y52-K68 HydrophobicContact CG-CD 4.34Å |
| 53 | C | 97.7 | Very high | 95.4 | Very high | 9 Ų | 9 | 101 Ų | 101 | 6% | 0.061 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 136.8 | 174.9 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | L48 C50 V64 E65 H72 | L48-C53 HydrophobicContact CB-CB 3.97Å; L48-C53 HydrophobicContact CD2-CB 3.68Å; L48-C53 HydrophobicContact CG-CB 4.37Å; C50-C53 WeakPolarHBondContact O-CB 3.29Å; C50-C53 PolarHBondContact O-N 2.95Å; C50-C53 PolarHBondContact SG-SG 3.05Å; C53-V64 HydrophobicContact CB-CG1 3.96Å; C53-E65 WeakPolarHBondContact CA-O 3.27Å; C53-H72 VanDerWaalsContact SG-CB 3.57Å; C53-H72 PolarHBondContact SG-ND1 3.17Å |
| 54 | Y | 98 | Very high | 95.5 | Very high | 109 Ų | 109 | 96.9 Ų | 96.9 | 43% | 0.427 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 157.5 | 173.6 | 60.5 | -86.1 | 0 | 0 | 0 | 110.9 | I56 V64 E65 T67 | Y54-I56 HydrophobicContact CE2-CB 4.32Å; Y54-V64 WeakPolarHBondContact O-CA 3.07Å; Y54-E65 HydrophobicContact CD1-CB 4.4Å; Y54-E65 HydrophobicContact CD2-CB 4.34Å; Y54-E65 HydrophobicContact CE1-CB 3.82Å; Y54-E65 HydrophobicContact CE2-CB 3.76Å; Y54-E65 HydrophobicContact CE2-CG 4.35Å; Y54-E65 VanDerWaalsContact CZ-CB 3.47Å; Y54-E65 PolarHBondContact N-O 2.48Å; Y54-E65 PolarHBondContact O-N 2.75Å; Y54-T67 HydrophobicContact CE1-CG2 4.29Å |
| 55 | F | 97.9 | Very high | 95.7 | Very high | 98 Ų | 98 | 87.3 Ų | 87.3 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 140.3 | 174.8 | -66.3 | -68.2 | 0 | 0 | 0 | 110.7 | L46 L48 L62 H63 V64 | L46-F55 HydrophobicContact CB-CE1 3.81Å; L48-F55 HydrophobicContact CD1-CD2 4.25Å; L48-F55 HydrophobicContact CD1-CE2 3.81Å; L48-F55 HydrophobicContact CD1-CZ 4.44Å; L48-F55 HydrophobicContact CD2-CD1 4.33Å; L48-F55 HydrophobicContact CD2-CD2 4.09Å; L48-F55 HydrophobicContact CD2-CE1 4.07Å; L48-F55 HydrophobicContact CD2-CE2 3.82Å; L48-F55 HydrophobicContact CD2-CG 4.34Å; L48-F55 HydrophobicContact CD2-CZ 3.81Å; L48-F55 HydrophobicContact CG-CD2 4.36Å; L48-F55 HydrophobicContact CG-CE2 3.71Å; L48-F55 HydrophobicContact CG-CZ 3.82Å; F55-L62 HydrophobicContact CB-CD1 4.07Å; F55-L62 HydrophobicContact CD1-CD1 4.39Å; F55-L62 HydrophobicContact CD1-CD2 3.96Å; F55-L62 HydrophobicContact CD1-CG 4.07Å; F55-L62 HydrophobicContact CE1-CD2 4.33Å; F55-H63 WeakPolarHBondContact CA-O 3.2Å; F55-V64 HydrophobicContact CD1-CG2 3.74Å; F55-V64 HydrophobicContact CE1-CG2 3.56Å |
| 56 | I | 97.1 | Very high | 95.8 | Very high | 65 Ų | 65 | 82.7 Ų | 82.7 | 33% | 0.333 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.9 | 172.3 | -172.1 | 171.1 | 0 | 0 | 0 | 109.3 | Y54 V58 H63 E65 | Y54-I56 HydrophobicContact CE2-CB 4.32Å; I56-V58 HydrophobicContact CD1-CG2 4.23Å; I56-V58 HydrophobicContact CG1-CG2 4.07Å; I56-V58 HydrophobicContact CG2-CG2 4.14Å; I56-H63 HydrophobicContact CG2-CB 3.78Å; I56-H63 PolarHBondContact N-O 3.07Å; I56-H63 PolarHBondContact O-N 3.26Å; I56-E65 HydrophobicContact CG2-CB 4.47Å; I56-E65 HydrophobicContact CG2-CG 3.67Å |
| 57 | R | 95.2 | Very high | 95.7 | Very high | 203 Ų | 203 | 87 Ų | 87 | 77% | 0.766 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.8 | 171.3 | -80.4 | -170 | 169 | 138 | -1.3 | 110 | R61 L62 | R57-R61 WeakPolarHBondContact CA-O 3.41Å; R57-L62 HydrophobicContact CG-CD1 3.8Å |
| 58 | V | 92.6 | Very high | 95.6 | Very high | 55 Ų | 55 | 87 Ų | 87 | 33% | 0.333 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 123.8 | 178.9 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | I56 G60 R61 | I56-V58 HydrophobicContact CD1-CG2 4.23Å; I56-V58 HydrophobicContact CG1-CG2 4.07Å; I56-V58 HydrophobicContact CG2-CG2 4.14Å; V58-G60 PolarHBondContact O-N 2.88Å; V58-R61 PolarHBondContact N-O 2.79Å; V58-R61 PolarHBondContact O-N 2.83Å |
| 59 | R | 90.1 | Very high | 95.5 | Very high | 242 Ų | 242 | 86.1 Ų | 86.1 | 91% | 0.913 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 42.7 | 179.9 | -60.5 | 177.5 | 179.3 | 170.8 | -0.6 | 113.3 | R61 | R59-R61 VanDerWaalsContact C-N 3.28Å; R59-R61 PolarHBondContact O-N 2.94Å |
| 60 | G | 89.9 | Confident | 95.3 | Very high | 74 Ų | 74 | 81.3 Ų | 81.3 | 76% | 0.763 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 4.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V58 | V58-G60 PolarHBondContact O-N 2.88Š|
| 61 | R | 92.5 | Very high | 95.2 | Very high | 60 Ų | 60 | 88.8 Ų | 88.8 | 23% | 0.226 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.6 | 176.6 | -56.3 | -176.8 | -157.2 | 171.2 | 13 | 110.4 | R57 V58 R59 H63 M75 E76 F78 | R57-R61 WeakPolarHBondContact CA-O 3.41Å; V58-R61 PolarHBondContact N-O 2.79Å; V58-R61 PolarHBondContact O-N 2.83Å; R59-R61 VanDerWaalsContact C-N 3.28Å; R59-R61 PolarHBondContact O-N 2.94Å; R61-H63 PolarHBondContact O-CD2 2.79Å; R61-M75 VanDerWaalsContact CD-CE 3.5Å; R61-E76 HydrophobicContact CB-CB 4.35Å; R61-F78 VanDerWaalsContact NH1-CB 3.33Å |
| 62 | L | 95 | Very high | 95.1 | Very high | 38 Ų | 38 | 78.2 Ų | 78.2 | 20% | 0.199 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 136.1 | 171 | -162.6 | 63.3 | 0 | 0 | 0 | 109.9 | L46 F55 R57 E76 | L46-L62 HydrophobicContact CD1-CB 3.7Å; L46-L62 HydrophobicContact CD1-CD2 3.87Å; L46-L62 HydrophobicContact CD1-CG 3.66Å; L46-L62 WeakPolarHBondContact CD1-O 3.4Å; F55-L62 HydrophobicContact CB-CD1 4.07Å; F55-L62 HydrophobicContact CD1-CD1 4.39Å; F55-L62 HydrophobicContact CD1-CD2 3.96Å; F55-L62 HydrophobicContact CD1-CG 4.07Å; F55-L62 HydrophobicContact CE1-CD2 4.33Å; R57-L62 HydrophobicContact CG-CD1 3.8Å; L62-E76 HydrophobicContact CB-CG 3.93Å; L62-E76 WeakPolarHBondContact CB-OE1 3.27Å; L62-E76 VanDerWaalsContact CB-OE2 3.31Å; L62-E76 WeakPolarHBondContact CB-OE2 3.16Å; L62-E76 PolarHBondContact N-OE2 3.4Å; L62-E76 PolarHBondContact O-N 3.1Å |
| 63 | H | 96.6 | Very high | 95 | Very high | 13 Ų | 13 | 74.3 Ų | 74.3 | 6% | 0.06 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.8 | 175.8 | -68.4 | -132 | 0 | 0 | 0 | 108.8 | Y40 F55 I56 R61 Q74 M75 | Y40-H63 AromaticContact CE1-ND1 3.96Å; F55-H63 WeakPolarHBondContact CA-O 3.2Å; I56-H63 HydrophobicContact CG2-CB 3.78Å; I56-H63 PolarHBondContact N-O 3.07Å; I56-H63 PolarHBondContact O-N 3.26Å; R61-H63 PolarHBondContact O-CD2 2.79Å; H63-Q74 CarbonylContact C-O 3.54Å; H63-Q74 WeakPolarHBondContact CA-O 3.23Å; H63-M75 VanDerWaalsContact CE1-CE 3.48Å; H63-M75 WeakPolarHBondContact CE1-CE 3.25Å; H63-M75 VanDerWaalsContact CE1-CG 3.44Å; H63-M75 WeakPolarHBondContact CE1-CG 3.48Å; H63-M75 PolarHBondContact CE1-SD 2.88Å; H63-M75 WeakPolarHBondContact NE2-CE 3.43Å |
| 64 | V | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.1 | 163.6 | 176.7 | 0 | 0 | 0 | 0 | 107.1 | L46 L48 C53 Y54 F55 K73 Q74 | L46-V64 HydrophobicContact CB-CG2 3.78Å; L46-V64 HydrophobicContact CD1-CG2 4.31Å; L46-V64 HydrophobicContact CD2-CG2 4.18Å; L46-V64 HydrophobicContact CG-CG2 4.33Å; L48-V64 HydrophobicContact CD2-CG1 3.87Å; L48-V64 HydrophobicContact CD2-CG2 4.24Å; C53-V64 HydrophobicContact CB-CG1 3.96Å; Y54-V64 WeakPolarHBondContact O-CA 3.07Å; F55-V64 HydrophobicContact CD1-CG2 3.74Å; F55-V64 HydrophobicContact CE1-CG2 3.56Å; V64-K73 VanDerWaalsContact O-CA 3.29Å; V64-K73 WeakPolarHBondContact O-CA 3.31Å; V64-Q74 HydrophobicContact CB-CB 4.09Å; V64-Q74 HydrophobicContact CG2-CB 4.35Å; V64-Q74 PolarHBondContact N-O 3.33Å; V64-Q74 PolarHBondContact O-N 3.23Å; V64-Q74 VanDerWaalsContact O-N 3.1Å |
| 65 | E | 96.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 70.3 Ų | 70.3 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 157.6 | 169.8 | -75.5 | -59.7 | 161.6 | 0 | 0 | 111.1 | Y40 C53 Y54 I56 K73 | Y40-E65 WeakPolarHBondContact CE1-OE1 3.09Å; Y40-E65 PolarHBondContact OH-OE1 3.44Å; C53-E65 WeakPolarHBondContact CA-O 3.27Å; Y54-E65 HydrophobicContact CD1-CB 4.4Å; Y54-E65 HydrophobicContact CD2-CB 4.34Å; Y54-E65 HydrophobicContact CE1-CB 3.82Å; Y54-E65 HydrophobicContact CE2-CB 3.76Å; Y54-E65 HydrophobicContact CE2-CG 4.35Å; Y54-E65 VanDerWaalsContact CZ-CB 3.47Å; Y54-E65 PolarHBondContact N-O 2.48Å; Y54-E65 PolarHBondContact O-N 2.75Å; I56-E65 HydrophobicContact CG2-CB 4.47Å; I56-E65 HydrophobicContact CG2-CG 3.67Å; E65-K73 VanDerWaalsContact OE2-CE 3.27Å; E65-K73 WeakPolarHBondContact OE2-CE 3.36Å |
| 66 | C | 96.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 68.7 Ų | 68.7 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 120.8 | 175.7 | -175 | 0 | 0 | 0 | 0 | 109.7 | C50 H69 H72 | C50-C66 VanDerWaalsContact SG-SG 3.63Å; C66-H69 VanDerWaalsContact CB-O 3.3Å; C66-H69 WeakPolarHBondContact CB-O 3.27Å; C66-H69 PolarHBondContact SG-N 3.36Å; C66-H69 PolarHBondContact SG-O 3.17Å; C66-H69 VanDerWaalsContact SG-O 3.32Å; C66-H72 HydrophobicContact CB-CB 3.65Å |
| 67 | T | 94.6 | Very high | 94.5 | Very high | 111 Ų | 111 | 68.2 Ų | 68.2 | 68% | 0.681 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -73.8 | -27.2 | -179 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | Y54 | Y54-T67 HydrophobicContact CE1-CG2 4.29Š|
| 68 | K | 95.6 | Very high | 94.2 | Very high | 123 Ų | 123 | 63.1 Ų | 63.1 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -95.8 | -32.8 | -174.7 | -169 | 176.5 | 179.3 | 174.6 | 0 | 114.1 | Y52 | Y52-K68 HydrophobicContact CD2-CB 3.8Å; Y52-K68 HydrophobicContact CD2-CD 3.5Å; Y52-K68 HydrophobicContact CD2-CG 4.29Å; Y52-K68 HydrophobicContact CE2-CB 4.39Å; Y52-K68 HydrophobicContact CE2-CD 3.27Å; Y52-K68 HydrophobicContact CE2-CG 4.44Å; Y52-K68 HydrophobicContact CG-CB 3.95Å; Y52-K68 HydrophobicContact CG-CD 4.34Å |
| 69 | H | 94 | Very high | 93.8 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 30% | 0.296 | 31% | 0.313 | S | S | . | . | trans | -142.1 | 99.7 | -170.7 | -56.6 | -56.7 | 0 | 0 | 0 | 110.4 | C66 R71 H72 | C66-H69 VanDerWaalsContact CB-O 3.3Å; C66-H69 WeakPolarHBondContact CB-O 3.27Å; C66-H69 PolarHBondContact SG-N 3.36Å; C66-H69 PolarHBondContact SG-O 3.17Å; C66-H69 VanDerWaalsContact SG-O 3.32Å; H69-R71 PolarHBondContact O-N 3.08Å; H69-H72 AromaticContact CD2-CE1 3.6Å; H69-H72 AromaticContact CD2-ND1 3.99Å; H69-H72 VanDerWaalsContact O-CB 3.23Å; H69-H72 WeakPolarHBondContact O-CB 3.44Å; H69-H72 PolarHBondContact O-N 3Å | ||
| 70 | G | 92.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -76.1 | -7.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E38 H72 K73 | E38-G70 WeakPolarHBondContact OE1-CA 3.34Å; E38-G70 PolarHBondContact OE1-N 2.93Å; E38-G70 WeakPolarHBondContact OE2-CA 3.41Å; G70-H72 PolarHBondContact O-N 3.18Å; G70-K73 VanDerWaalsContact O-CB 3.27Å; G70-K73 WeakPolarHBondContact O-CB 3.38Å; G70-K73 PolarHBondContact O-N 3.23Å |
| 71 | R | 93.5 | Very high | 92.7 | Very high | 192 Ų | 192 | 59.7 Ų | 59.7 | 73% | 0.725 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -55.8 | -18.1 | 160 | -62.6 | -172.6 | -69.6 | 168.1 | -2.9 | 112.6 | R49 H69 | R49-R71 VanDerWaalsContact CZ-O 3.29Å; R49-R71 PolarHBondContact NH1-O 2.8Å; R49-R71 VanDerWaalsContact NH1-O 3.1Å; R49-R71 PolarHBondContact NH2-O 2.91Å; H69-R71 PolarHBondContact O-N 3.08Å |
| 72 | H | 95.6 | Very high | 91.5 | Very high | 28 Ų | 28 | 63.4 Ų | 63.4 | 13% | 0.13 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -82.9 | -17.9 | 176.3 | -63.9 | 173.5 | 0 | 0 | 0 | 114.5 | R49 C50 C53 C66 H69 G70 Q74 | R49-H72 PolarHBondContact NH2-O 3.32Å; C50-H72 PolarHBondContact SG-ND1 2.82Å; C53-H72 VanDerWaalsContact SG-CB 3.57Å; C53-H72 PolarHBondContact SG-ND1 3.17Å; C66-H72 HydrophobicContact CB-CB 3.65Å; H69-H72 AromaticContact CD2-CE1 3.6Å; H69-H72 AromaticContact CD2-ND1 3.99Å; H69-H72 VanDerWaalsContact O-CB 3.23Å; H69-H72 WeakPolarHBondContact O-CB 3.44Å; H69-H72 PolarHBondContact O-N 3Å; G70-H72 PolarHBondContact O-N 3.18Å; H72-Q74 WeakPolarHBondContact O-CG 3.36Å; H72-Q74 PolarHBondContact O-N 3.1Å; H72-Q74 PolarHBondContact O-NE2 2.96Å |
| 73 | K | 95.9 | Very high | 90.2 | Very high | 36 Ų | 36 | 67.1 Ų | 67.1 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | trans | -57.4 | 123.4 | -178 | -74.3 | 173.2 | 178.6 | 162.5 | 0 | 111.4 | E38 Y40 K41 V64 E65 G70 | E38-K73 HydrophobicContact CB-CD 4.22Å; E38-K73 IonicContact OE2-NZ 2.91Å; E38-K73 PolarHBondContact OE2-NZ 3.39Å; Y40-K73 HydrophobicContact CD1-CB 3.65Å; Y40-K73 HydrophobicContact CD1-CG 4.32Å; Y40-K73 HydrophobicContact CE1-CB 3.82Å; Y40-K73 HydrophobicContact CE1-CD 4.07Å; Y40-K73 HydrophobicContact CE1-CG 3.95Å; Y40-K73 HydrophobicContact CG-CB 4.3Å; K41-K73 PolarHBondContact N-O 2.96Å; V64-K73 VanDerWaalsContact O-CA 3.29Å; V64-K73 WeakPolarHBondContact O-CA 3.31Å; E65-K73 VanDerWaalsContact OE2-CE 3.27Å; E65-K73 WeakPolarHBondContact OE2-CE 3.36Å; G70-K73 VanDerWaalsContact O-CB 3.27Å; G70-K73 WeakPolarHBondContact O-CB 3.38Å; G70-K73 PolarHBondContact O-N 3.23Å | ||
| 74 | Q | 96.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 155.6 | 179.3 | -64.2 | 156.2 | 68.6 | 0 | 0 | 110 | K41 K43 L46 Q47 H63 V64 H72 | K41-Q74 HydrophobicContact CB-CG 4.32Å; K41-Q74 CarbonylContact O-C 3.53Å; K41-Q74 WeakPolarHBondContact O-CA 3.47Å; K43-Q74 HydrophobicContact CD-CG 4.42Å; L46-Q74 HydrophobicContact CD2-CB 3.37Å; Q47-Q74 PolarHBondContact O-NE2 3.08Å; H63-Q74 CarbonylContact C-O 3.54Å; H63-Q74 WeakPolarHBondContact CA-O 3.23Å; V64-Q74 HydrophobicContact CB-CB 4.09Å; V64-Q74 HydrophobicContact CG2-CB 4.35Å; V64-Q74 PolarHBondContact N-O 3.33Å; V64-Q74 PolarHBondContact O-N 3.23Å; V64-Q74 VanDerWaalsContact O-N 3.1Å; H72-Q74 WeakPolarHBondContact O-CG 3.36Å; H72-Q74 PolarHBondContact O-N 3.1Å; H72-Q74 PolarHBondContact O-NE2 2.96Å |
| 75 | M | 95.5 | Very high | 87.9 | Confident | 34 Ų | 34 | 81.5 Ų | 81.5 | 17% | 0.167 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 141.6 | -176.3 | -179.7 | 178.3 | 178.5 | 0 | 0 | 110.5 | Y40 K41 V42 K43 R61 H63 | Y40-M75 HydrophobicContact CD1-CB 4.33Å; Y40-M75 HydrophobicContact CG-CB 4.34Å; K41-M75 PolarHBondContact O-N 2.61Å; V42-M75 CarbonylContact C-O 3.55Å; V42-M75 VanDerWaalsContact CA-O 3.27Å; V42-M75 WeakPolarHBondContact CA-O 3.21Å; K43-M75 PolarHBondContact N-O 3.3Å; R61-M75 VanDerWaalsContact CD-CE 3.5Å; H63-M75 VanDerWaalsContact CE1-CE 3.48Å; H63-M75 WeakPolarHBondContact CE1-CE 3.25Å; H63-M75 VanDerWaalsContact CE1-CG 3.44Å; H63-M75 WeakPolarHBondContact CE1-CG 3.48Å; H63-M75 PolarHBondContact CE1-SD 2.88Å; H63-M75 WeakPolarHBondContact NE2-CE 3.43Å |
| 76 | E | 94.7 | Very high | 87.4 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 142.8 | 171.1 | -86.5 | 176.2 | 172.3 | 0 | 0 | 111.4 | L46 R61 L62 | L46-E76 HydrophobicContact CD1-CG 3.86Å; L46-E76 HydrophobicContact CG-CG 4.35Å; R61-E76 HydrophobicContact CB-CB 4.35Å; L62-E76 HydrophobicContact CB-CG 3.93Å; L62-E76 WeakPolarHBondContact CB-OE1 3.27Å; L62-E76 VanDerWaalsContact CB-OE2 3.31Å; L62-E76 WeakPolarHBondContact CB-OE2 3.16Å; L62-E76 PolarHBondContact N-OE2 3.4Å; L62-E76 PolarHBondContact O-N 3.1Å |
| 77 | P | 92.8 | Very high | 86.9 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -59 | 145.1 | 175.1 | 27.8 | -35.7 | 0 | 0 | 0 | 110.3 | V42 K43 R44 N79 | V42-P77 HydrophobicContact CG1-CB 3.88Å; K43-P77 VanDerWaalsContact O-CD 3.25Å; K43-P77 WeakPolarHBondContact O-CD 3.23Å; R44-P77 HydrophobicContact CG-CG 4.25Å; P77-N79 PolarHBondContact O-N 2.92Å |
| 78 | F | 89.6 | Confident | 86.5 | Confident | 95 Ų | 95 | 87.3 Ų | 87.3 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 123.9 | 170.1 | -165.7 | -155.1 | 0 | 0 | 0 | 109.6 | R61 V80 L83 | R61-F78 VanDerWaalsContact NH1-CB 3.33Å; F78-V80 HydrophobicContact CD1-CG2 4.03Å; F78-V80 PolarHBondContact O-N 3.39Å; F78-L83 HydrophobicContact CE1-CD1 3.36Å; F78-L83 HydrophobicContact CE1-CG 4.25Å; F78-L83 HydrophobicContact CE2-CD1 4.24Å; F78-L83 HydrophobicContact CE2-CD2 4.44Å; F78-L83 HydrophobicContact CE2-CG 4.3Å; F78-L83 HydrophobicContact CZ-CD1 3.19Å; F78-L83 HydrophobicContact CZ-CD2 3.9Å; F78-L83 HydrophobicContact CZ-CG 3.65Å |
| 79 | N | 84.4 | Confident | 85.9 | Confident | 76 Ų | 76 | 85.1 Ų | 85.1 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | trans | -88.3 | 99.9 | 163.6 | -168.2 | -1.9 | 0 | 0 | 0 | 109 | P77 K81 L82 | P77-N79 PolarHBondContact O-N 2.92Å; N79-K81 PolarHBondContact O-N 3.16Å; N79-K81 VanDerWaalsContact OD1-CB 3.23Å; N79-K81 WeakPolarHBondContact OD1-CB 3.34Å; N79-K81 WeakPolarHBondContact OD1-CG 3.43Å; N79-K81 PolarHBondContact OD1-N 2.88Å; N79-L82 HydrophobicContact CB-CD1 3.94Å; N79-L82 HydrophobicContact CB-CG 3.99Å; N79-L82 PolarHBondContact O-N 3.06Å | ||
| 80 | V | 79.8 | Confident | 85.3 | Confident | 68 Ų | 68 | 86.5 Ų | 86.5 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -61.1 | -27.1 | 176.7 | -159.5 | 0 | 0 | 0 | 0 | 110.9 | F78 L82 L83 W84 | F78-V80 HydrophobicContact CD1-CG2 4.03Å; F78-V80 PolarHBondContact O-N 3.39Å; V80-L82 PolarHBondContact O-N 3Å; V80-L82 VanDerWaalsContact O-N 3.08Å; V80-L83 HydrophobicContact CG1-CD1 4.28Å; V80-L83 WeakPolarHBondContact O-CB 3.42Å; V80-L83 PolarHBondContact O-N 3.02Å; V80-L83 VanDerWaalsContact O-N 3.1Å; V80-W84 HydrophobicContact CB-CH2 3.88Å; V80-W84 HydrophobicContact CB-CZ3 4.27Å; V80-W84 HydrophobicContact CG1-CE3 4.39Å; V80-W84 HydrophobicContact CG1-CH2 3.42Å; V80-W84 VanDerWaalsContact CG1-CH2 3.42Å; V80-W84 HydrophobicContact CG1-CZ3 3.35Å |
| 81 | K | 77 | Confident | 84.8 | Confident | 155 Ų | 155 | 92.3 Ų | 92.3 | 67% | 0.674 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -67.5 | -7.2 | 178.7 | -53.4 | -178.5 | 176.5 | -175.6 | 0 | 114.5 | N79 W84 | N79-K81 PolarHBondContact O-N 3.16Å; N79-K81 VanDerWaalsContact OD1-CB 3.23Å; N79-K81 WeakPolarHBondContact OD1-CB 3.34Å; N79-K81 WeakPolarHBondContact OD1-CG 3.43Å; N79-K81 PolarHBondContact OD1-N 2.88Å; K81-W84 HydrophobicContact CB-CZ2 4.47Å; K81-W84 HydrophobicContact CG-CZ2 4.26Å |
| 82 | L | 66.5 | Low | 84.2 | Confident | 139 Ų | 139 | 84.6 Ų | 84.6 | 73% | 0.728 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -93.7 | 3.9 | 175 | -61.8 | 177.7 | 0 | 0 | 0 | 112.8 | N79 V80 | N79-L82 HydrophobicContact CB-CD1 3.94Å; N79-L82 HydrophobicContact CB-CG 3.99Å; N79-L82 PolarHBondContact O-N 3.06Å; V80-L82 PolarHBondContact O-N 3Å; V80-L82 VanDerWaalsContact O-N 3.08Å |
| 83 | L | 67.3 | Low | 83.2 | Confident | 115 Ų | 115 | 89.3 Ų | 89.3 | 60% | 0.602 | 43% | 0.426 | S | S | * | . | trans | -100.7 | -7.8 | -177.9 | -71.9 | 176.7 | 0 | 0 | 0 | 114.9 | F78 V80 | F78-L83 HydrophobicContact CE1-CD1 3.36Å; F78-L83 HydrophobicContact CE1-CG 4.25Å; F78-L83 HydrophobicContact CE2-CD1 4.24Å; F78-L83 HydrophobicContact CE2-CD2 4.44Å; F78-L83 HydrophobicContact CE2-CG 4.3Å; F78-L83 HydrophobicContact CZ-CD1 3.19Å; F78-L83 HydrophobicContact CZ-CD2 3.9Å; F78-L83 HydrophobicContact CZ-CG 3.65Å; V80-L83 HydrophobicContact CG1-CD1 4.28Å; V80-L83 WeakPolarHBondContact O-CB 3.42Å; V80-L83 PolarHBondContact O-N 3.02Å; V80-L83 VanDerWaalsContact O-N 3.1Å | ||
| 84 | W | 58.4 | Low | 82.1 | Confident | 234 Ų | 234 | 94.2 Ų | 94.2 | 89% | 0.886 | 45% | 0.451 | S | S | * | . | trans | -139.1 | 0 | -179.8 | 55.1 | 65.2 | 0 | 0 | 0 | 110 | V80 K81 | V80-W84 HydrophobicContact CB-CH2 3.88Å; V80-W84 HydrophobicContact CB-CZ3 4.27Å; V80-W84 HydrophobicContact CG1-CE3 4.39Å; V80-W84 HydrophobicContact CG1-CH2 3.42Å; V80-W84 VanDerWaalsContact CG1-CH2 3.42Å; V80-W84 HydrophobicContact CG1-CZ3 3.35Å; K81-W84 HydrophobicContact CB-CZ2 4.47Å; K81-W84 HydrophobicContact CG-CZ2 4.26Å |
Retrieved 84 of 84 residues in 67.3 ms
(Link to these results)