| 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 | 40.1 | Very low | 37.2 | Very low | 236 Ų | 236 | 137.5 Ų | 137.5 | 100% | 1.163 | 82% | 0.818 | S | S | * | * | 0 | 137.2 | 0 | -85.3 | 55.1 | 174.5 | 0 | 0 | 108.6 | |||||
| 2 | L | 41.9 | Very low | 37.3 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -80 | 170.2 | 153.7 | -71.7 | 170.1 | 0 | 0 | 0 | 108 | ||||
| 3 | P | 42.5 | Very low | 37.3 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | cis | -120.2 | -178 | 22.5 | 40.4 | -22 | 0 | 0 | 0 | 112.8 | ||||
| 4 | A | 34.5 | Very low | 37.8 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | cis | 71.4 | 151.9 | 27.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 5 | V | 35 | Very low | 38.1 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | cis | -170.1 | 154.8 | -30.6 | 63.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 6 | G | 31.5 | Very low | 39.1 | Very low | 69 Ų | 69 | 139.6 Ų | 139.6 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | 84.8 | 167.3 | 167 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 7 | S | 34.7 | Very low | 39.5 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | cis | -174.7 | 155.5 | -10.2 | 46.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 8 | A | 37.3 | Very low | 39.8 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | 63.5 | 172.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 9 | D | 34 | Very low | 40.3 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | cis | -128.9 | -177.3 | 3.5 | -47.4 | -88.7 | 0 | 0 | 0 | 108.8 | ||||
| 10 | E | 39.6 | Very low | 40.9 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | cis | -157.8 | -164.6 | 1.3 | -146.9 | 168.2 | 172.3 | 0 | 0 | 108.8 | ||||
| 11 | E | 37.8 | Very low | 41.6 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | 68.4 | 139 | 169.3 | -59.8 | 179 | -175.4 | 0 | 0 | 119.1 | ||||
| 12 | E | 38.7 | Very low | 42.1 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | cis | -156.1 | 145.3 | -12.3 | -124.6 | -172.8 | 176.8 | 0 | 0 | 109.4 | ||||
| 13 | D | 37.3 | Very low | 42.7 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -86.5 | 140 | 170.9 | -99.2 | -49.9 | 0 | 0 | 0 | 110.8 | ||||
| 14 | P | 44.4 | Very low | 42.9 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | -151.9 | 174.1 | 107.1 | 39.2 | -23.1 | 0 | 0 | 0 | 116.7 | |||||
| 15 | A | 42.7 | Very low | 43.7 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 88.2 | 69.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | E17 | A15-E17 PolarHBondContact O-N 3.09Å; A15-E17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | E | 54.3 | Low | 44.4 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -22.1 | 99.4 | 136 | -61.8 | -81.2 | -179.6 | 0 | 0 | 114.6 | ||||
| 17 | E | 44.7 | Very low | 45.1 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -122.4 | 78.6 | 151 | -78.7 | -158.1 | 141.4 | 0 | 0 | 108.6 | A15 C19 | A15-E17 PolarHBondContact O-N 3.09Å; A15-E17 VanDerWaalsContact O-N 3.09Å; E17-C19 PolarHBondContact O-N 3.09Å; E17-C19 VanDerWaalsContact O-N 3.09Å | ||
| 18 | D | 45.7 | Very low | 45.4 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | -59.3 | 110.9 | 176.8 | -173.1 | 6.7 | 0 | 0 | 0 | 110.4 | P20 | D18-P20 VanDerWaalsContact O-CD 3.27Å; D18-P20 WeakPolarHBondContact O-CD 3.27Å | ||
| 19 | C | 48.8 | Very low | 46 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -78.8 | 106 | 175.6 | -70.2 | 0 | 0 | 0 | 0 | 108 | E17 E21 | E17-C19 PolarHBondContact O-N 3.09Å; E17-C19 VanDerWaalsContact O-N 3.09Å; C19-E21 PolarHBondContact O-N 3.09Å; C19-E21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | P | 53.1 | Low | 46.7 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -59.6 | 118.9 | -167.8 | 23.8 | -34.4 | 0 | 0 | 0 | 111 | D18 L22 | D18-P20 VanDerWaalsContact O-CD 3.27Å; D18-P20 WeakPolarHBondContact O-CD 3.27Å; P20-L22 PolarHBondContact O-N 2.93Å | ||
| 21 | E | 55.1 | Low | 47.1 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -58.7 | 132.7 | -179.8 | -171.2 | 172.9 | -157.2 | 0 | 0 | 110.1 | C19 V23 | C19-E21 PolarHBondContact O-N 3.09Å; C19-E21 VanDerWaalsContact O-N 3.09Å; E21-V23 PolarHBondContact O-N 3.38Å | ||
| 22 | L | 50.8 | Low | 47.5 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -68.4 | 100.8 | -173.9 | -67.7 | 176.8 | 0 | 0 | 0 | 110.5 | P20 | P20-L22 PolarHBondContact O-N 2.93Š| ||
| 23 | V | 53.8 | Low | 47.7 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | -53.9 | 129 | 171.7 | -69.6 | 0 | 0 | 0 | 0 | 110.1 | E21 I25 | E21-V23 PolarHBondContact O-N 3.38Å; V23-I25 PolarHBondContact O-N 3.1Å; V23-I25 VanDerWaalsContact O-N 3.1Å | ||
| 24 | P | 46.3 | Very low | 48 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -67.1 | 114.5 | 175.8 | 27.1 | -32.7 | 0 | 0 | 0 | 108.4 | E26 | P24-E26 PolarHBondContact O-N 3.07Š| ||
| 25 | I | 52.4 | Low | 48.1 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -67 | 108.8 | 174.9 | -28.4 | 175.7 | 0 | 0 | 0 | 107.4 | V23 | V23-I25 PolarHBondContact O-N 3.1Å; V23-I25 VanDerWaalsContact O-N 3.1Å | ||
| 26 | E | 48.4 | Very low | 48.4 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -59.2 | 140.1 | 166.5 | -66.7 | -166.7 | 141.4 | 0 | 0 | 108.9 | P24 T28 | P24-E26 PolarHBondContact O-N 3.07Å; E26-T28 VanDerWaalsContact C-N 3.28Å; E26-T28 PolarHBondContact O-N 2.87Å | ||
| 27 | T | 46.6 | Very low | 48 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -74.4 | 66.1 | -158.8 | -44.7 | 0 | 0 | 0 | 0 | 114.5 | Q29 | T27-Q29 HydrophobicContact CG2-CG 3.93Å; T27-Q29 PolarHBondContact O-N 3.18Å | ||
| 28 | T | 41 | Very low | 48.1 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -78.6 | 90.6 | 163.4 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | E26 S30 | E26-T28 VanDerWaalsContact C-N 3.28Å; E26-T28 PolarHBondContact O-N 2.87Å; T28-S30 PolarHBondContact O-N 2.74Å | ||
| 29 | Q | 49.9 | Very low | 48.5 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -70.3 | 79.6 | 173.4 | -77.2 | 170.3 | -46.2 | 0 | 0 | 111.3 | T27 | T27-Q29 HydrophobicContact CG2-CG 3.93Å; T27-Q29 PolarHBondContact O-N 3.18Å | ||
| 30 | S | 49.8 | Very low | 49.6 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | -157.5 | 122.8 | 169.1 | 51.1 | 0 | 0 | 0 | 0 | 105.5 | T28 | T28-S30 PolarHBondContact O-N 2.74Š| ||
| 31 | E | 48.5 | Very low | 51 | Low | 188 Ų | 188 | 137.9 Ų | 137.9 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | S | Bend | cis | -140.7 | 115.9 | 35.6 | -63.8 | 159.4 | 159.2 | 0 | 0 | 111.7 | ||
| 32 | E | 45 | Very low | 52.7 | Low | 197 Ų | 197 | 130 Ų | 130 | 92% | 0.921 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -166 | -27.6 | 155.8 | -118.6 | 172.6 | -154 | 0 | 0 | 113 | E34 | E32-E34 VanDerWaalsContact C-N 3.28Å; E32-E34 PolarHBondContact O-N 3.08Å; E32-E34 VanDerWaalsContact O-N 3.08Å |
| 33 | E | 42.6 | Very low | 54.6 | Low | 173 Ų | 173 | 124.3 Ų | 124.3 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | -81.4 | 34.8 | -179.4 | -63.2 | -157.7 | 126.9 | 0 | 0 | 116 | ||||
| 34 | E | 44.6 | Very low | 56.3 | Low | 172 Ų | 172 | 118.5 Ų | 118.5 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | trans | -113.6 | 61.9 | 176.7 | -102.5 | -64.3 | 173.7 | 0 | 0 | 113.3 | E32 | E32-E34 VanDerWaalsContact C-N 3.28Å; E32-E34 PolarHBondContact O-N 3.08Å; E32-E34 VanDerWaalsContact O-N 3.08Å | ||
| 35 | K | 46 | Very low | 58.4 | Low | 194 Ų | 194 | 113.2 Ų | 113.2 | 84% | 0.843 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -153.8 | -2.9 | 160.6 | -136.2 | 167.9 | -169.7 | 161.9 | 0 | 116.9 | G37 | K35-G37 PolarHBondContact O-N 3.04Š|
| 36 | S | 48.6 | Very low | 60 | Low | 100 Ų | 100 | 106 Ų | 106 | 70% | 0.699 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -75.3 | 29.1 | 167.5 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | L38 | S36-L38 PolarHBondContact O-N 2.95Š|
| 37 | G | 45.4 | Very low | 61.9 | Low | 33 Ų | 33 | 98.5 Ų | 98.5 | 34% | 0.34 | 54% | 0.542 | S | S | . | . | trans | -56.7 | 128.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K35 G39 A40 | K35-G37 PolarHBondContact O-N 3.04Å; G37-G39 PolarHBondContact O-N 3.35Å; G37-A40 WeakPolarHBondContact O-CB 3.21Å; G37-A40 PolarHBondContact O-N 2.85Å | ||
| 38 | L | 47.7 | Very low | 63.7 | Low | 190 Ų | 190 | 94.7 Ų | 94.7 | 100% | 0.995 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9.1 | -177.1 | -121.9 | 66.1 | 0 | 0 | 0 | 114.4 | S36 | S36-L38 PolarHBondContact O-N 2.95Š|
| 39 | G | 54.8 | Low | 65.6 | Low | 73 Ų | 73 | 90.4 Ų | 90.4 | 75% | 0.753 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 12.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G37 K41 | G37-G39 PolarHBondContact O-N 3.35Å; G39-K41 PolarHBondContact O-N 3.11Å; G39-K41 VanDerWaalsContact O-N 3.11Å |
| 40 | A | 70.8 | Confident | 67.1 | Low | 63 Ų | 63 | 90.5 Ų | 90.5 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | trans | -67.5 | 108.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G37 I42 | G37-A40 WeakPolarHBondContact O-CB 3.21Å; G37-A40 PolarHBondContact O-N 2.85Å; A40-I42 PolarHBondContact O-N 3.21Å | ||
| 41 | K | 83.3 | Confident | 68.5 | Low | 103 Ų | 103 | 94.8 Ų | 94.8 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 129.8 | 174.2 | -65 | -169.5 | 122.6 | -154.1 | 0 | 110.6 | G39 D150 G154 L155 K156 | G39-K41 PolarHBondContact O-N 3.11Å; G39-K41 VanDerWaalsContact O-N 3.11Å; K41-D150 IonicContact NZ-OD1 3.51Å; K41-D150 PolarHBondContact NZ-OD1 2.92Å; K41-D150 IonicContact NZ-OD2 3.67Å; K41-G154 VanDerWaalsContact CA-O 3.29Å; K41-G154 WeakPolarHBondContact CA-O 3.22Å; K41-G154 WeakPolarHBondContact CB-O 3.25Å; K41-G154 VanDerWaalsContact CE-C 3.44Å; K41-G154 VanDerWaalsContact CG-O 3.25Å; K41-G154 WeakPolarHBondContact CG-O 3.16Å; K41-L155 WeakPolarHBondContact CD-O 3.33Å; K41-L155 VanDerWaalsContact CE-O 3.27Å; K41-L155 WeakPolarHBondContact CE-O 3.47Å; K41-L155 PolarHBondContact NZ-O 2.99Å; K41-K156 HydrophobicContact CB-CB 4.23Å |
| 42 | I | 89.5 | Confident | 70.1 | Confident | 18 Ų | 18 | 89.5 Ų | 89.5 | 9% | 0.092 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 126.5 | 176 | -54.6 | 178 | 0 | 0 | 0 | 108.7 | A40 M124 K127 F130 I133 L155 K156 | A40-I42 PolarHBondContact O-N 3.21Å; I42-M124 HydrophobicContact CD1-CE 4.14Å; I42-M124 HydrophobicContact CD1-SD 4.15Å; I42-K127 HydrophobicContact CD1-CD 4.29Å; I42-K127 HydrophobicContact CD1-CG 4.14Å; I42-F130 HydrophobicContact CD1-CE2 3.81Å; I42-F130 HydrophobicContact CD1-CZ 4.12Å; I42-F130 HydrophobicContact CG2-CD2 4.45Å; I42-F130 HydrophobicContact CG2-CE2 4.11Å; I42-I133 HydrophobicContact CG2-CD1 4.36Å; I42-I133 HydrophobicContact CG2-CG1 4.07Å; I42-L155 HydrophobicContact CB-CD2 3.93Å; I42-L155 CarbonylContact O-C 3.57Å; I42-L155 WeakPolarHBondContact O-CA 3.27Å; I42-K156 PolarHBondContact O-N 2.82Å |
| 43 | P | 91.8 | Very high | 72 | Confident | 44 Ų | 44 | 83.2 Ų | 83.2 | 29% | 0.286 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 136.2 | 175.9 | 28.2 | -34.3 | 0 | 0 | 0 | 111.4 | D131 Y132 I133 | P43-D131 WeakPolarHBondContact CD-O 3.49Å; P43-Y132 HydrophobicContact CB-CD2 3.93Å; P43-Y132 HydrophobicContact CB-CE2 3.9Å; P43-Y132 HydrophobicContact CG-CD2 3.39Å; P43-Y132 HydrophobicContact CG-CE2 3.88Å; P43-Y132 HydrophobicContact CG-CG 4.04Å; P43-I133 PolarHBondContact O-N 3.4Å |
| 44 | V | 89.6 | Confident | 74.1 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.006 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.2 | 170.5 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | I46 I133 L155 K156 V157 K158 | V44-I46 HydrophobicContact CG1-CG1 4.48Å; V44-I133 CarbonylContact C-O 3.58Å; V44-I133 WeakPolarHBondContact CA-O 3.32Å; V44-I133 HydrophobicContact CB-CB 4.46Å; V44-I133 HydrophobicContact CG1-CG2 4.41Å; V44-I133 HydrophobicContact CG2-CB 3.99Å; V44-I133 HydrophobicContact CG2-CD1 4.09Å; V44-I133 HydrophobicContact CG2-CG1 4.45Å; V44-I133 HydrophobicContact CG2-CG2 4.46Å; V44-L155 HydrophobicContact CG2-CB 3.78Å; V44-L155 HydrophobicContact CG2-CD1 3.56Å; V44-L155 HydrophobicContact CG2-CD2 4.48Å; V44-L155 HydrophobicContact CG2-CG 4.13Å; V44-K156 PolarHBondContact N-O 2.84Å; V44-K156 VanDerWaalsContact O-O 3.1Å; V44-V157 HydrophobicContact CB-CG2 4.28Å; V44-V157 CarbonylContact O-C 3.44Å; V44-V157 WeakPolarHBondContact O-CA 3.3Å; V44-K158 PolarHBondContact O-N 3.29Å |
| 45 | T | 89.8 | Confident | 76.2 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 6% | 0.055 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.8 | 163 | -72.4 | 0 | 0 | 0 | 0 | 109.8 | I47 Y132 I133 L134 L135 K158 H160 | T45-I47 HydrophobicContact CG2-CG1 4.37Å; T45-Y132 WeakPolarHBondContact CB-OH 3.49Å; T45-Y132 PolarHBondContact OG1-OH 3.46Å; T45-I133 PolarHBondContact N-O 2.89Å; T45-L134 HydrophobicContact CG2-CD1 3.86Å; T45-L134 CarbonylContact O-C 3.57Å; T45-L134 WeakPolarHBondContact O-CA 3.47Å; T45-L135 PolarHBondContact O-N 3.48Å; T45-K158 WeakPolarHBondContact CA-O 3.43Å; T45-H160 HydrophobicContact CG2-CB 4.37Å |
| 46 | I | 87.3 | Confident | 78 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.2 | 172 | -54.1 | 147.1 | 0 | 0 | 0 | 105.9 | V44 L135 T137 I146 V157 K158 Y159 H160 | V44-I46 HydrophobicContact CG1-CG1 4.48Å; I46-L135 CarbonylContact C-O 3.6Å; I46-L135 VanDerWaalsContact CA-O 3.31Å; I46-L135 WeakPolarHBondContact CA-O 3.25Å; I46-L135 HydrophobicContact CG1-CD2 4.48Å; I46-T137 HydrophobicContact CG2-CG2 3.92Å; I46-I146 HydrophobicContact CD1-CD1 3.32Å; I46-I146 HydrophobicContact CD1-CG1 4.49Å; I46-I146 HydrophobicContact CD1-CG2 4.23Å; I46-I146 HydrophobicContact CG1-CD1 3.68Å; I46-V157 HydrophobicContact CD1-CG1 3.62Å; I46-K158 PolarHBondContact N-O 3.18Å; I46-Y159 HydrophobicContact CB-CD1 4.29Å; I46-Y159 HydrophobicContact CD1-CD1 3.6Å; I46-Y159 HydrophobicContact CD1-CD2 4.1Å; I46-Y159 HydrophobicContact CD1-CE1 3.25Å; I46-Y159 HydrophobicContact CD1-CE2 3.77Å; I46-Y159 HydrophobicContact CD1-CG 4.01Å; I46-Y159 HydrophobicContact CG2-CD1 4.48Å; I46-H160 PolarHBondContact O-N 3.4Å |
| 47 | I | 87.8 | Confident | 79.9 | Confident | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.072 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.3 | 167.8 | -53 | 172.6 | 0 | 0 | 0 | 106.7 | T45 K55 L58 L59 L134 L135 T137 H160 | T45-I47 HydrophobicContact CG2-CG1 4.37Å; I47-K55 HydrophobicContact CG2-CB 4.3Å; I47-K55 HydrophobicContact CG2-CD 3.82Å; I47-K55 HydrophobicContact CG2-CG 3.94Å; I47-L58 HydrophobicContact CD1-CD2 3.74Å; I47-L58 HydrophobicContact CD1-CG 4.24Å; I47-L59 HydrophobicContact CD1-CD2 4.48Å; I47-L134 HydrophobicContact CD1-CD1 3.82Å; I47-L134 HydrophobicContact CD1-CD2 3.94Å; I47-L134 HydrophobicContact CD1-CG 4.1Å; I47-L134 HydrophobicContact CG1-CD1 3.88Å; I47-L134 HydrophobicContact CG1-CG 4.47Å; I47-L135 PolarHBondContact N-O 3.47Å; I47-T137 PolarHBondContact O-N 2.81Å; I47-T137 PolarHBondContact O-OG1 3.11Å; I47-H160 CarbonylContact C-O 3.56Å; I47-H160 WeakPolarHBondContact CA-O 3.09Å |
| 48 | T | 84.6 | Confident | 82.1 | Confident | 42 Ų | 42 | 66.4 Ų | 66.4 | 26% | 0.258 | 41% | 0.412 | S | S | . | . | trans | -121.5 | -177.2 | 174.4 | -161.6 | 0 | 0 | 0 | 0 | 111.4 | K55 T137 T138 G139 H160 | T48-K55 VanDerWaalsContact O-CD 3.29Å; T48-K55 WeakPolarHBondContact O-CD 3.25Å; T48-T137 WeakPolarHBondContact CA-OG1 3.49Å; T48-T137 VanDerWaalsContact CB-OG1 3.27Å; T48-T137 WeakPolarHBondContact CB-OG1 2.95Å; T48-T137 PolarHBondContact OG1-OG1 2.99Å; T48-T138 PolarHBondContact OG1-O 2.42Å; T48-G139 WeakPolarHBondContact OG1-CA 3.05Å; T48-H160 PolarHBondContact N-O 2.65Å | ||
| 49 | G | 81.1 | Confident | 84.1 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 19% | 0.186 | 37% | 0.366 | C | S | . | . | trans | 118.5 | 171 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K55 G139 | G49-K55 PolarHBondContact O-NZ 2.88Å; G49-G139 PolarHBondContact O-N 3.46Å | ||
| 50 | Y | 81.2 | Confident | 85.7 | Confident | 179 Ų | 179 | 57.2 Ų | 57.2 | 70% | 0.702 | 35% | 0.347 | S | S | * | . | trans | -73.5 | 174.6 | -172.2 | -60.9 | -73.9 | 0 | 0 | 0 | 113.6 | A53 | Y50-A53 VanDerWaalsContact O-CB 3.31Å; Y50-A53 WeakPolarHBondContact O-CB 3.44Å; Y50-A53 PolarHBondContact O-N 2.87Å | ||
| 51 | L | 79.6 | Confident | 86.7 | Confident | 179 Ų | 179 | 60.1 Ų | 60.1 | 94% | 0.937 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 141.7 | 168.8 | -174.6 | 62.7 | 0 | 0 | 0 | 109.7 | A53 | L51-A53 VanDerWaalsContact C-N 3.29Å; L51-A53 PolarHBondContact O-N 3Å |
| 52 | G | 80.9 | Confident | 87.1 | Confident | 78 Ų | 78 | 56.3 Ų | 56.3 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -9.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | G54 | G52-G54 PolarHBondContact O-N 2.95Š|
| 53 | A | 86.1 | Confident | 87.2 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -72.1 | 24.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y50 L51 K55 | Y50-A53 VanDerWaalsContact O-CB 3.31Å; Y50-A53 WeakPolarHBondContact O-CB 3.44Å; Y50-A53 PolarHBondContact O-N 2.87Å; L51-A53 VanDerWaalsContact C-N 3.29Å; L51-A53 PolarHBondContact O-N 3Å; A53-K55 HydrophobicContact CB-CG 4.49Å; A53-K55 PolarHBondContact O-N 3.3Å |
| 54 | G | 86.6 | Confident | 87 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 70.4 | -5 | 176 | 0 | 0 | 0 | 0 | 0 | 117.1 | G52 T56 T57 L58 | G52-G54 PolarHBondContact O-N 2.95Å; G54-T56 VanDerWaalsContact C-N 3.3Å; G54-T56 PolarHBondContact O-N 2.69Å; G54-T57 WeakPolarHBondContact O-CB 3.45Å; G54-T57 PolarHBondContact O-N 3.48Å; G54-L58 PolarHBondContact O-N 3.13Å |
| 55 | K | 87.8 | Confident | 87.2 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 9% | 0.087 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -47 | -49.7 | -176.7 | -50.7 | -159.3 | -51.3 | -86.1 | 0 | 113.1 | I47 T48 G49 A53 T57 L58 L59 E136 T137 | I47-K55 HydrophobicContact CG2-CB 4.3Å; I47-K55 HydrophobicContact CG2-CD 3.82Å; I47-K55 HydrophobicContact CG2-CG 3.94Å; T48-K55 VanDerWaalsContact O-CD 3.29Å; T48-K55 WeakPolarHBondContact O-CD 3.25Å; G49-K55 PolarHBondContact O-NZ 2.88Å; A53-K55 HydrophobicContact CB-CG 4.49Å; A53-K55 PolarHBondContact O-N 3.3Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-T57 PolarHBondContact O-N 3.27Å; K55-L58 PolarHBondContact O-N 2.75Å; K55-L59 WeakPolarHBondContact O-CG 3.39Å; K55-L59 PolarHBondContact O-N 2.8Å; K55-E136 HydrophobicContact CD-CG 4.48Å; K55-E136 WeakPolarHBondContact CE-OE1 3.38Å; K55-E136 IonicContact NZ-OE1 2.95Å; K55-E136 PolarHBondContact NZ-OE1 2.72Å; K55-T137 VanDerWaalsContact CE-O 3.26Å; K55-T137 WeakPolarHBondContact CE-O 3.44Å |
| 56 | T | 84.6 | Confident | 87.4 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.2 | -33.3 | -179.1 | -42.2 | 0 | 0 | 0 | 0 | 112.9 | G54 N60 L84 | G54-T56 VanDerWaalsContact C-N 3.3Å; G54-T56 PolarHBondContact O-N 2.69Å; T56-N60 WeakPolarHBondContact O-CB 3.27Å; T56-N60 PolarHBondContact O-N 2.6Å; T56-L84 HydrophobicContact CG2-CB 3.94Å |
| 57 | T | 88 | Confident | 87.6 | Confident | 108 Ų | 108 | 71 Ų | 71 | 66% | 0.663 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.2 | -43.8 | 176.5 | -48.5 | 0 | 0 | 0 | 0 | 111.2 | G54 K55 N60 Y61 | G54-T57 WeakPolarHBondContact O-CB 3.45Å; G54-T57 PolarHBondContact O-N 3.48Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-T57 PolarHBondContact O-N 3.27Å; T57-N60 PolarHBondContact O-N 2.89Å; T57-Y61 PolarHBondContact O-N 2.91Å; T57-Y61 VanDerWaalsContact O-N 3.1Å |
| 58 | L | 90.4 | Very high | 87.8 | Confident | 84 Ų | 84 | 76.4 Ų | 76.4 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.9 | 176.4 | 56 | 0 | 0 | 0 | 111.6 | I47 G54 K55 Y61 I62 | I47-L58 HydrophobicContact CD1-CD2 3.74Å; I47-L58 HydrophobicContact CD1-CG 4.24Å; G54-L58 PolarHBondContact O-N 3.13Å; K55-L58 PolarHBondContact O-N 2.75Å; L58-Y61 PolarHBondContact O-N 2.9Å; L58-I62 HydrophobicContact CD1-CD1 3.95Å; L58-I62 HydrophobicContact CD1-CG1 4.39Å; L58-I62 HydrophobicContact CG-CD1 4.15Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.1Å; L58-I62 VanDerWaalsContact O-N 3.11Å |
| 59 | L | 90.2 | Very high | 88.1 | Confident | 6 Ų | 6 | 80.1 Ų | 80.1 | 3% | 0.031 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.6 | -71 | 170.7 | 0 | 0 | 0 | 112.1 | I47 K55 Y61 I62 L63 V73 L75 L84 L134 E136 | I47-L59 HydrophobicContact CD1-CD2 4.48Å; K55-L59 WeakPolarHBondContact O-CG 3.39Å; K55-L59 PolarHBondContact O-N 2.8Å; L59-Y61 PolarHBondContact O-N 3.46Å; L59-I62 PolarHBondContact O-N 3.11Å; L59-L63 WeakPolarHBondContact O-CG 3.34Å; L59-L63 PolarHBondContact O-N 3.19Å; L59-V73 HydrophobicContact CD2-CG1 3.72Å; L59-L75 HydrophobicContact CD1-CD2 3.71Å; L59-L75 HydrophobicContact CD2-CD2 4.16Å; L59-L75 HydrophobicContact CG-CD2 4.47Å; L59-L84 HydrophobicContact CB-CD2 3.41Å; L59-L84 VanDerWaalsContact CB-CD2 3.41Å; L59-L84 HydrophobicContact CD1-CD2 4.18Å; L59-L84 HydrophobicContact CG-CD2 4.43Å; L59-L134 HydrophobicContact CD2-CD2 3.76Å; L59-E136 HydrophobicContact CD1-CB 3.97Å; L59-E136 HydrophobicContact CD1-CG 3.82Å; L59-E136 HydrophobicContact CD2-CB 4.45Å |
| 60 | N | 88.4 | Confident | 88.7 | Confident | 65 Ų | 65 | 83.7 Ų | 83.7 | 35% | 0.348 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.6 | -50.5 | 176.1 | -171.2 | 101.2 | 0 | 0 | 0 | 110.6 | T56 T57 I62 L63 T64 L84 | T56-N60 WeakPolarHBondContact O-CB 3.27Å; T56-N60 PolarHBondContact O-N 2.6Å; T57-N60 PolarHBondContact O-N 2.89Å; N60-I62 VanDerWaalsContact C-N 3.25Å; N60-I62 PolarHBondContact O-N 3.19Å; N60-L63 PolarHBondContact O-N 2.93Å; N60-T64 PolarHBondContact ND2-OG1 3.47Å; N60-T64 PolarHBondContact O-N 3.24Å; N60-T64 PolarHBondContact O-OG1 3.4Å; N60-L84 HydrophobicContact CB-CD1 4.13Å |
| 61 | Y | 92 | Very high | 89.4 | Confident | 123 Ų | 123 | 75.6 Ų | 75.6 | 48% | 0.482 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -53.2 | -42 | 176.8 | 174.2 | -94.8 | 0 | 0 | 0 | 112.5 | T57 L58 L59 E65 | T57-Y61 PolarHBondContact O-N 2.91Å; T57-Y61 VanDerWaalsContact O-N 3.1Å; L58-Y61 PolarHBondContact O-N 2.9Å; L59-Y61 PolarHBondContact O-N 3.46Å; Y61-E65 HydrophobicContact CD2-CB 4Å; Y61-E65 HydrophobicContact CD2-CG 3.43Å; Y61-E65 VanDerWaalsContact CD2-CG 3.43Å; Y61-E65 HydrophobicContact CE2-CB 3.86Å; Y61-E65 HydrophobicContact CE2-CG 3.67Å; Y61-E65 HydrophobicContact CG-CG 4.2Å; Y61-E65 VanDerWaalsContact O-CB 3.3Å; Y61-E65 WeakPolarHBondContact O-CB 3.38Å; Y61-E65 PolarHBondContact O-N 2.85Å |
| 62 | I | 92.9 | Very high | 90.1 | Very high | 24 Ų | 24 | 67 Ų | 67 | 12% | 0.123 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.8 | -31.4 | 179.6 | -68.2 | 171.9 | 0 | 0 | 0 | 112.3 | L58 L59 N60 H67 V71 V73 N105 C107 L134 | L58-I62 HydrophobicContact CD1-CD1 3.95Å; L58-I62 HydrophobicContact CD1-CG1 4.39Å; L58-I62 HydrophobicContact CG-CD1 4.15Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.1Å; L58-I62 VanDerWaalsContact O-N 3.11Å; L59-I62 PolarHBondContact O-N 3.11Å; N60-I62 VanDerWaalsContact C-N 3.25Å; N60-I62 PolarHBondContact O-N 3.19Å; I62-H67 WeakPolarHBondContact CA-NE2 3.34Å; I62-H67 WeakPolarHBondContact CG2-NE2 3.41Å; I62-H67 PolarHBondContact O-NE2 3.46Å; I62-V71 HydrophobicContact CG2-CB 3.98Å; I62-V71 HydrophobicContact CG2-CG1 3.95Å; I62-V71 HydrophobicContact CG2-CG2 4.18Å; I62-V73 HydrophobicContact CG2-CG2 3.97Å; I62-N105 PolarHBondContact O-ND2 2.85Å; I62-C107 PolarHBondContact O-SG 3.18Å; I62-C107 VanDerWaalsContact O-SG 3.4Å; I62-L134 HydrophobicContact CD1-CD2 3.56Å; I62-L134 HydrophobicContact CG2-CD2 4.45Å |
| 63 | L | 90.7 | Very high | 90.7 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -90.3 | -20.1 | -179.2 | -62.5 | -174.6 | 0 | 0 | 0 | 114.3 | L59 N60 V73 L84 L88 L103 C107 C109 | L59-L63 WeakPolarHBondContact O-CG 3.34Å; L59-L63 PolarHBondContact O-N 3.19Å; N60-L63 PolarHBondContact O-N 2.93Å; L63-V73 HydrophobicContact CD2-CB 3.89Å; L63-V73 HydrophobicContact CD2-CG1 4.45Å; L63-V73 HydrophobicContact CD2-CG2 3.51Å; L63-V73 HydrophobicContact CG-CG2 4.4Å; L63-L84 HydrophobicContact CD1-CD1 4.39Å; L63-L84 HydrophobicContact CD1-CD2 4.02Å; L63-L84 HydrophobicContact CD1-CG 4.34Å; L63-L88 HydrophobicContact CD1-CD1 3.7Å; L63-L88 HydrophobicContact CD1-CD2 4.37Å; L63-L103 HydrophobicContact CB-CD1 3.79Å; L63-L103 HydrophobicContact CD2-CD1 3.69Å; L63-L103 HydrophobicContact CG-CD1 4.2Å; L63-L103 WeakPolarHBondContact O-CD1 3.29Å; L63-C107 HydrophobicContact CD2-CB 4.31Å; L63-C109 HydrophobicContact CD1-CB 4.29Å; L63-C109 HydrophobicContact CD2-CB 4.09Å |
| 64 | T | 88 | Confident | 90.8 | Very high | 69 Ų | 69 | 60.3 Ų | 60.3 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -104.5 | -39.5 | 179.5 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | N60 | N60-T64 PolarHBondContact ND2-OG1 3.47Å; N60-T64 PolarHBondContact O-N 3.24Å; N60-T64 PolarHBondContact O-OG1 3.4Å |
| 65 | E | 93 | Very high | 90.7 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -88.4 | 159.2 | -168.8 | -54 | -46.5 | 118 | 0 | 0 | 113.7 | Y61 H67 N105 | Y61-E65 HydrophobicContact CD2-CB 4Å; Y61-E65 HydrophobicContact CD2-CG 3.43Å; Y61-E65 VanDerWaalsContact CD2-CG 3.43Å; Y61-E65 HydrophobicContact CE2-CB 3.86Å; Y61-E65 HydrophobicContact CE2-CG 3.67Å; Y61-E65 HydrophobicContact CG-CG 4.2Å; Y61-E65 VanDerWaalsContact O-CB 3.3Å; Y61-E65 WeakPolarHBondContact O-CB 3.38Å; Y61-E65 PolarHBondContact O-N 2.85Å; E65-H67 PolarHBondContact O-CD2 3.29Å; E65-H67 PolarHBondContact O-N 3.03Å; E65-N105 PolarHBondContact O-ND2 2.82Å |
| 66 | Q | 93.4 | Very high | 90.3 | Very high | 172 Ų | 172 | 59.2 Ų | 59.2 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | trans | -87.1 | 105.3 | 172.5 | -66.6 | -169.5 | 2.8 | 0 | 0 | 110.7 | ||||
| 67 | H | 93.1 | Very high | 89.5 | Confident | 39 Ų | 39 | 58 Ų | 58 | 18% | 0.181 | 29% | 0.294 | C | S | . | . | trans | -119.3 | 18.1 | 176.8 | 55.2 | 61.1 | 0 | 0 | 0 | 113.2 | I62 E65 K69 V71 N105 C107 | I62-H67 WeakPolarHBondContact CA-NE2 3.34Å; I62-H67 WeakPolarHBondContact CG2-NE2 3.41Å; I62-H67 PolarHBondContact O-NE2 3.46Å; E65-H67 PolarHBondContact O-CD2 3.29Å; E65-H67 PolarHBondContact O-N 3.03Å; H67-K69 VanDerWaalsContact C-N 3.28Å; H67-K69 VanDerWaalsContact CE1-C 3.44Å; H67-K69 PolarHBondContact CE1-O 2.87Å; H67-K69 PolarHBondContact O-N 3.03Å; H67-V71 WeakPolarHBondContact CE1-CG2 3.42Å; H67-N105 PolarHBondContact NE2-ND2 2.82Å; H67-N105 VanDerWaalsContact NE2-ND2 3.14Å; H67-C107 PolarHBondContact CE1-SG 3.05Å; H67-C107 PolarHBondContact NE2-SG 3.21Å | ||
| 68 | S | 91 | Very high | 87.8 | Confident | 126 Ų | 126 | 60.2 Ų | 60.2 | 88% | 0.881 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 53.1 | 35.5 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 69 | K | 91.6 | Very high | 85.9 | Confident | 121 Ų | 121 | 59.1 Ų | 59.1 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -142.2 | 143.3 | 174.9 | -65 | 171.8 | -173.9 | 164.3 | 0 | 110.3 | H67 V71 | H67-K69 VanDerWaalsContact C-N 3.28Å; H67-K69 VanDerWaalsContact CE1-C 3.44Å; H67-K69 PolarHBondContact CE1-O 2.87Å; H67-K69 PolarHBondContact O-N 3.03Å; K69-V71 HydrophobicContact CB-CG2 4.2Å; K69-V71 PolarHBondContact O-N 3.16Å |
| 70 | R | 94.2 | Very high | 83.8 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 35% | 0.351 | 34% | 0.342 | S | S | . | . | trans | -91.3 | 90.9 | 174.7 | -56.4 | 170.4 | -62.6 | 157.4 | 4.6 | 108.6 | G106 G128 K129 F130 D131 | R70-G106 WeakPolarHBondContact CA-O 3.34Å; R70-G106 VanDerWaalsContact CB-O 3.25Å; R70-G106 WeakPolarHBondContact CB-O 3.44Å; R70-G106 WeakPolarHBondContact CG-O 3.08Å; R70-G128 PolarHBondContact NH1-O 3.14Å; R70-G128 PolarHBondContact NH2-O 1.89Å; R70-G128 VanDerWaalsContact NH2-O 3.13Å; R70-K129 WeakPolarHBondContact CD-O 3.36Å; R70-K129 PolarHBondContact NH1-O 2.96Å; R70-F130 CarbonylContact O-C 3.58Å; R70-F130 WeakPolarHBondContact O-CA 3.46Å; R70-F130 WeakPolarHBondContact O-CB 3.1Å; R70-D131 VanDerWaalsContact CB-OD2 3.25Å; R70-D131 WeakPolarHBondContact CB-OD2 3.36Å; R70-D131 WeakPolarHBondContact CG-OD2 3.43Å; R70-D131 IonicContact CZ-OD1 2.87Å; R70-D131 IonicContact CZ-OD2 3.62Å; R70-D131 PolarHBondContact N-OD2 3.4Å; R70-D131 IonicContact NE-OD1 2.62Å; R70-D131 PolarHBondContact NE-OD1 3.06Å; R70-D131 IonicContact NE-OD2 3.47Å; R70-D131 PolarHBondContact NE-OD2 3.41Å; R70-D131 IonicContact NH2-OD1 3.33Å; R70-D131 PolarHBondContact NH2-OD1 3.16Å; R70-D131 IonicContact NH2-OD2 2.6Å; R70-D131 PolarHBondContact O-N 3.06Å | ||
| 71 | V | 95.5 | Very high | 82.2 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 129.3 | -178.9 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | I62 H67 K69 V73 C107 L108 Y132 L134 | I62-V71 HydrophobicContact CG2-CB 3.98Å; I62-V71 HydrophobicContact CG2-CG1 3.95Å; I62-V71 HydrophobicContact CG2-CG2 4.18Å; H67-V71 WeakPolarHBondContact CE1-CG2 3.42Å; K69-V71 HydrophobicContact CB-CG2 4.2Å; K69-V71 PolarHBondContact O-N 3.16Å; V71-V73 HydrophobicContact CB-CG2 4.48Å; V71-V73 HydrophobicContact CG1-CG2 3.78Å; V71-C107 CarbonylContact O-C 3.54Å; V71-C107 VanDerWaalsContact O-CA 3.23Å; V71-C107 WeakPolarHBondContact O-CA 3.38Å; V71-C107 WeakPolarHBondContact O-CB 3.23Å; V71-L108 PolarHBondContact O-N 2.84Å; V71-Y132 HydrophobicContact CG1-CD1 4.07Å; V71-L134 HydrophobicContact CG1-CB 3.93Å |
| 72 | A | 94.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | W100 L108 L123 F130 Y132 I133 L134 | A72-W100 HydrophobicContact CB-CH2 4.44Å; A72-W100 HydrophobicContact CB-CZ3 4.1Å; A72-L108 CarbonylContact C-O 3.54Å; A72-L108 WeakPolarHBondContact CA-O 3.24Å; A72-L108 HydrophobicContact CB-CB 4.26Å; A72-L123 HydrophobicContact CB-CD1 3.7Å; A72-L123 HydrophobicContact CB-CD2 3.51Å; A72-L123 HydrophobicContact CB-CG 4.21Å; A72-F130 HydrophobicContact CB-CB 3.86Å; A72-F130 HydrophobicContact CB-CD1 4.46Å; A72-F130 HydrophobicContact CB-CD2 3.98Å; A72-F130 HydrophobicContact CB-CG 3.83Å; A72-Y132 PolarHBondContact N-O 3.12Å; A72-I133 WeakPolarHBondContact O-CA 3.38Å; A72-L134 PolarHBondContact O-N 3.05Å |
| 73 | V | 92.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.2 | -176.1 | -177 | 0 | 0 | 0 | 0 | 110.5 | L59 I62 L63 V71 L75 L108 C109 C110 L134 | L59-V73 HydrophobicContact CD2-CG1 3.72Å; I62-V73 HydrophobicContact CG2-CG2 3.97Å; L63-V73 HydrophobicContact CD2-CB 3.89Å; L63-V73 HydrophobicContact CD2-CG1 4.45Å; L63-V73 HydrophobicContact CD2-CG2 3.51Å; L63-V73 HydrophobicContact CG-CG2 4.4Å; V71-V73 HydrophobicContact CB-CG2 4.48Å; V71-V73 HydrophobicContact CG1-CG2 3.78Å; V73-L75 HydrophobicContact CG1-CD2 3.78Å; V73-L75 HydrophobicContact CG1-CG 4.3Å; V73-L108 PolarHBondContact N-O 3.49Å; V73-C109 HydrophobicContact CB-CB 4.39Å; V73-C109 VanDerWaalsContact O-CA 3.29Å; V73-C109 WeakPolarHBondContact O-CA 3.21Å; V73-C110 PolarHBondContact O-N 2.85Å; V73-L134 CarbonylContact C-O 3.56Å; V73-L134 WeakPolarHBondContact CA-O 3.47Å; V73-L134 HydrophobicContact CG2-CB 4.22Å; V73-L134 HydrophobicContact CG2-CD2 4.24Å |
| 74 | I | 89 | Confident | 78.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.7 | 174.3 | -57.6 | 160.7 | 0 | 0 | 0 | 107.3 | W100 V112 A119 I120 I133 L134 L135 E136 | I74-W100 HydrophobicContact CD1-CH2 4.41Å; I74-W100 HydrophobicContact CG1-CH2 3.65Å; I74-W100 HydrophobicContact CG1-CZ2 4.25Å; I74-V112 HydrophobicContact CG2-CG2 3.68Å; I74-A119 HydrophobicContact CD1-CB 3.83Å; I74-A119 HydrophobicContact CG1-CB 4.05Å; I74-A119 HydrophobicContact CG2-CB 3.69Å; I74-I120 HydrophobicContact CD1-CD1 4.49Å; I74-I120 HydrophobicContact CD1-CG1 3.54Å; I74-I133 HydrophobicContact CD1-CG2 4.16Å; I74-L134 PolarHBondContact N-O 2.89Å; I74-L135 HydrophobicContact CB-CD1 3.66Å; I74-L135 HydrophobicContact CD1-CD1 4.35Å; I74-L135 HydrophobicContact CG2-CD1 3.5Å; I74-E136 PolarHBondContact O-N 2.72Å |
| 75 | L | 85.6 | Confident | 77.1 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 140.4 | 176 | -56.2 | 177.1 | 0 | 0 | 0 | 109.8 | L59 V73 L84 E85 L88 C110 V112 | L59-L75 HydrophobicContact CD1-CD2 3.71Å; L59-L75 HydrophobicContact CD2-CD2 4.16Å; L59-L75 HydrophobicContact CG-CD2 4.47Å; V73-L75 HydrophobicContact CG1-CD2 3.78Å; V73-L75 HydrophobicContact CG1-CG 4.3Å; L75-L84 HydrophobicContact CD1-CD2 4.46Å; L75-L84 HydrophobicContact CD2-CD2 4.34Å; L75-E85 HydrophobicContact CD1-CG 4.08Å; L75-L88 HydrophobicContact CD1-CD1 4.19Å; L75-C110 PolarHBondContact N-O 3.1Å; L75-V112 WeakPolarHBondContact O-CG2 3.5Å; L75-V112 PolarHBondContact O-N 3.39Å |
| 76 | N | 77.6 | Confident | 75.8 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 17% | 0.166 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 113.3 | -169.5 | 162.6 | 89.1 | 0 | 0 | 0 | 111.5 | F78 E136 | N76-F78 VanDerWaalsContact C-N 3.26Å; N76-F78 WeakPolarHBondContact ND2-CD2 3.47Å; N76-F78 PolarHBondContact O-N 3.09Å; N76-F78 WeakPolarHBondContact OD1-CD2 3.23Å; N76-E136 WeakPolarHBondContact CB-O 3.49Å; N76-E136 PolarHBondContact N-OE2 3.17Å |
| 77 | E | 68.5 | Low | 74.3 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | trans | -77.8 | 53.2 | -167 | -69.3 | 178.2 | 56.4 | 0 | 0 | 115 | G79 S111 V112 K113 | E77-G79 PolarHBondContact O-N 2.87Å; E77-S111 WeakPolarHBondContact CG-OG 3.45Å; E77-S111 WeakPolarHBondContact OE2-CB 3.29Å; E77-S111 PolarHBondContact OE2-OG 3.38Å; E77-V112 PolarHBondContact N-O 2.89Å; E77-V112 PolarHBondContact OE2-N 3.41Å; E77-K113 HydrophobicContact CB-CG 4.16Å; E77-K113 HydrophobicContact CG-CG 4.33Å; E77-K113 WeakPolarHBondContact OE1-CE 3.46Å; E77-K113 WeakPolarHBondContact OE1-CG 3.37Å; E77-K113 WeakPolarHBondContact OE2-CG 3.4Å; E77-K113 PolarHBondContact OE2-N 3.47Å | ||
| 78 | F | 51.5 | Low | 72.9 | Confident | 156 Ų | 156 | 56 Ų | 56 | 68% | 0.684 | 32% | 0.315 | S | S | * | . | trans | -92.3 | 65.3 | 172.9 | -87.3 | -101.8 | 0 | 0 | 0 | 112.2 | N76 T138 | N76-F78 VanDerWaalsContact C-N 3.26Å; N76-F78 WeakPolarHBondContact ND2-CD2 3.47Å; N76-F78 PolarHBondContact O-N 3.09Å; N76-F78 WeakPolarHBondContact OD1-CD2 3.23Å; F78-T138 HydrophobicContact CB-CG2 3.75Å | ||
| 79 | G | 51 | Low | 71.4 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 62% | 0.619 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 158.6 | -178 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E77 G81 | E77-G79 PolarHBondContact O-N 2.87Å; G79-G81 PolarHBondContact O-N 2.94Å |
| 80 | E | 47.5 | Very low | 69.6 | Low | 183 Ų | 183 | 50.9 Ų | 50.9 | 86% | 0.855 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -58.2 | 119.8 | 164.3 | -75.8 | -176.5 | 76.7 | 0 | 0 | 109.2 | S82 | E80-S82 PolarHBondContact O-N 2.87Š|
| 81 | G | 54.8 | Low | 67.7 | Low | 24 Ų | 24 | 50.5 Ų | 50.5 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | trans | -42.5 | 132.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G79 E85 K86 | G79-G81 PolarHBondContact O-N 2.94Å; G81-E85 VanDerWaalsContact C-OE2 3.27Å; G81-E85 WeakPolarHBondContact CA-OE2 3.32Å; G81-K86 VanDerWaalsContact O-CD 3.28Å; G81-K86 WeakPolarHBondContact O-CD 3.31Å; G81-K86 WeakPolarHBondContact O-CE 3.45Å; G81-K86 PolarHBondContact O-NZ 2.77Å | ||
| 82 | S | 59.1 | Low | 65.8 | Low | 35 Ų | 35 | 54 Ų | 54 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | trans | -60.7 | 158.5 | -162.7 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | E80 L84 E85 K86 | E80-S82 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact OG-N 3.03Å; S82-E85 WeakPolarHBondContact CB-OE1 3.35Å; S82-E85 PolarHBondContact N-OE1 3.38Å; S82-E85 PolarHBondContact N-OE2 2.88Å; S82-E85 PolarHBondContact O-N 3.48Å; S82-E85 VanDerWaalsContact O-N 3.12Å; S82-E85 VanDerWaalsContact OG-CD 3.31Å; S82-E85 PolarHBondContact OG-N 2.85Å; S82-E85 PolarHBondContact OG-OE1 3.15Å; S82-K86 PolarHBondContact O-N 3.26Å | ||
| 83 | A | 62.9 | Low | 64 | Low | 79 Ų | 79 | 57.2 Ų | 57.2 | 65% | 0.653 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56 | -25.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S87 | A83-S87 WeakPolarHBondContact O-CB 3.39Å; A83-S87 PolarHBondContact O-N 2.89Å |
| 84 | L | 69.6 | Low | 62.1 | Low | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -76.3 | -47.6 | 175.4 | -176.4 | 60.4 | 0 | 0 | 0 | 112.1 | T56 L59 N60 L63 L75 S82 K86 S87 L88 | T56-L84 HydrophobicContact CG2-CB 3.94Å; L59-L84 HydrophobicContact CB-CD2 3.41Å; L59-L84 VanDerWaalsContact CB-CD2 3.41Å; L59-L84 HydrophobicContact CD1-CD2 4.18Å; L59-L84 HydrophobicContact CG-CD2 4.43Å; N60-L84 HydrophobicContact CB-CD1 4.13Å; L63-L84 HydrophobicContact CD1-CD1 4.39Å; L63-L84 HydrophobicContact CD1-CD2 4.02Å; L63-L84 HydrophobicContact CD1-CG 4.34Å; L75-L84 HydrophobicContact CD1-CD2 4.46Å; L75-L84 HydrophobicContact CD2-CD2 4.34Å; S82-L84 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact OG-N 3.03Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.14Å; L84-S87 WeakPolarHBondContact O-CB 3.35Å; L84-S87 PolarHBondContact O-N 3.04Å; L84-S87 VanDerWaalsContact O-N 3.16Å; L84-L88 HydrophobicContact CD1-CD1 4.28Å; L84-L88 HydrophobicContact CD1-CG 4.38Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.01Å |
| 85 | E | 64.9 | Low | 60.3 | Low | 19 Ų | 19 | 66.1 Ų | 66.1 | 9% | 0.089 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -55.4 | -46.4 | 171.5 | -71.4 | 141.6 | -114.9 | 0 | 0 | 111.1 | L75 G81 S82 S87 L88 A89 | L75-E85 HydrophobicContact CD1-CG 4.08Å; G81-E85 VanDerWaalsContact C-OE2 3.27Å; G81-E85 WeakPolarHBondContact CA-OE2 3.32Å; S82-E85 WeakPolarHBondContact CB-OE1 3.35Å; S82-E85 PolarHBondContact N-OE1 3.38Å; S82-E85 PolarHBondContact N-OE2 2.88Å; S82-E85 PolarHBondContact O-N 3.48Å; S82-E85 VanDerWaalsContact O-N 3.12Å; S82-E85 VanDerWaalsContact OG-CD 3.31Å; S82-E85 PolarHBondContact OG-N 2.85Å; S82-E85 PolarHBondContact OG-OE1 3.15Å; E85-S87 VanDerWaalsContact C-N 3.32Å; E85-S87 PolarHBondContact O-N 2.94Å; E85-L88 PolarHBondContact O-N 3.42Å; E85-A89 VanDerWaalsContact O-CB 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.32Å; E85-A89 PolarHBondContact O-N 2.83Å |
| 86 | K | 64.4 | Low | 58.6 | Low | 110 Ų | 110 | 70 Ų | 70 | 48% | 0.478 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 177.4 | -74 | 165.3 | 175.3 | 148.5 | 0 | 111.7 | G81 S82 L84 V90 | G81-K86 VanDerWaalsContact O-CD 3.28Å; G81-K86 WeakPolarHBondContact O-CD 3.31Å; G81-K86 WeakPolarHBondContact O-CE 3.45Å; G81-K86 PolarHBondContact O-NZ 2.77Å; S82-K86 PolarHBondContact O-N 3.26Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.14Å; K86-V90 VanDerWaalsContact O-CB 3.28Å; K86-V90 WeakPolarHBondContact O-CB 3.43Å; K86-V90 WeakPolarHBondContact O-CG2 3.3Å; K86-V90 PolarHBondContact O-N 3.34Å |
| 87 | S | 62.7 | Low | 57.4 | Low | 58 Ų | 58 | 71.8 Ų | 71.8 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 174.9 | -170 | 0 | 0 | 0 | 0 | 112.6 | A83 L84 E85 S91 | A83-S87 WeakPolarHBondContact O-CB 3.39Å; A83-S87 PolarHBondContact O-N 2.89Å; L84-S87 WeakPolarHBondContact O-CB 3.35Å; L84-S87 PolarHBondContact O-N 3.04Å; L84-S87 VanDerWaalsContact O-N 3.16Å; E85-S87 VanDerWaalsContact C-N 3.32Å; E85-S87 PolarHBondContact O-N 2.94Å; S87-S91 WeakPolarHBondContact O-CB 3.24Å; S87-S91 PolarHBondContact O-N 3.24Å; S87-S91 PolarHBondContact O-OG 2.83Å |
| 88 | L | 63.8 | Low | 56.9 | Low | 22 Ų | 22 | 77.1 Ų | 77.1 | 12% | 0.115 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.9 | -45.2 | 179 | -67.4 | 164.4 | 0 | 0 | 0 | 112 | L63 L75 L84 E85 S91 Q92 L103 | L63-L88 HydrophobicContact CD1-CD1 3.7Å; L63-L88 HydrophobicContact CD1-CD2 4.37Å; L75-L88 HydrophobicContact CD1-CD1 4.19Å; L84-L88 HydrophobicContact CD1-CD1 4.28Å; L84-L88 HydrophobicContact CD1-CG 4.38Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.01Å; E85-L88 PolarHBondContact O-N 3.42Å; L88-S91 CarbonylContact O-C 3.52Å; L88-S91 WeakPolarHBondContact O-CA 3.38Å; L88-S91 WeakPolarHBondContact O-CB 3.47Å; L88-S91 PolarHBondContact O-N 3.18Å; L88-S91 VanDerWaalsContact O-N 3.11Å; L88-Q92 PolarHBondContact O-N 3.23Å; L88-Q92 VanDerWaalsContact O-N 3.17Å; L88-L103 HydrophobicContact CD2-CD1 4.27Å; L88-L103 HydrophobicContact CD2-CD2 4.34Å |
| 89 | A | 58.6 | Low | 57.8 | Low | 14 Ų | 14 | 76.7 Ų | 76.7 | 12% | 0.116 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E85 S91 Q92 G93 G94 | E85-A89 VanDerWaalsContact O-CB 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.32Å; E85-A89 PolarHBondContact O-N 2.83Å; A89-S91 PolarHBondContact O-N 2.88Å; A89-Q92 PolarHBondContact O-N 2.85Å; A89-G93 PolarHBondContact O-N 2.91Å; A89-G94 PolarHBondContact O-N 2.81Å |
| 90 | V | 53.8 | Low | 59.3 | Low | 124 Ų | 124 | 75.4 Ų | 75.4 | 75% | 0.752 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.9 | -31.7 | 173.2 | 168.7 | 0 | 0 | 0 | 0 | 111.8 | K86 Q92 | K86-V90 VanDerWaalsContact O-CB 3.28Å; K86-V90 WeakPolarHBondContact O-CB 3.43Å; K86-V90 WeakPolarHBondContact O-CG2 3.3Å; K86-V90 PolarHBondContact O-N 3.34Å; V90-Q92 VanDerWaalsContact C-N 3.32Å; V90-Q92 PolarHBondContact O-N 2.89Å |
| 91 | S | 54.8 | Low | 61 | Low | 86 Ų | 86 | 67.8 Ų | 67.8 | 60% | 0.601 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -74.9 | -12.9 | 176 | -61 | 0 | 0 | 0 | 0 | 114.7 | S87 L88 A89 | S87-S91 WeakPolarHBondContact O-CB 3.24Å; S87-S91 PolarHBondContact O-N 3.24Å; S87-S91 PolarHBondContact O-OG 2.83Å; L88-S91 CarbonylContact O-C 3.52Å; L88-S91 WeakPolarHBondContact O-CA 3.38Å; L88-S91 WeakPolarHBondContact O-CB 3.47Å; L88-S91 PolarHBondContact O-N 3.18Å; L88-S91 VanDerWaalsContact O-N 3.11Å; A89-S91 PolarHBondContact O-N 2.88Å |
| 92 | Q | 56.3 | Low | 62.7 | Low | 82 Ų | 82 | 72.3 Ų | 72.3 | 38% | 0.383 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -128.7 | -10.8 | -176.2 | -61.4 | -155 | 14.3 | 0 | 0 | 116.1 | L88 A89 V90 Y97 | L88-Q92 PolarHBondContact O-N 3.23Å; L88-Q92 VanDerWaalsContact O-N 3.17Å; A89-Q92 PolarHBondContact O-N 2.85Å; V90-Q92 VanDerWaalsContact C-N 3.32Å; V90-Q92 PolarHBondContact O-N 2.89Å; Q92-Y97 HydrophobicContact CB-CE2 4.47Å; Q92-Y97 PolarHBondContact O-OH 3Å |
| 93 | G | 54.6 | Low | 64.1 | Low | 67 Ų | 67 | 71.6 Ų | 71.6 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 141.9 | -4.7 | 171 | 0 | 0 | 0 | 0 | 0 | 116.8 | A89 | A89-G93 PolarHBondContact O-N 2.91Š|
| 94 | G | 52.6 | Low | 65.3 | Low | 52 Ų | 52 | 80 Ų | 80 | 54% | 0.536 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 97.4 | -7.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | A89 | A89-G94 PolarHBondContact O-N 2.81Š|
| 95 | E | 50.7 | Low | 66.3 | Low | 134 Ų | 134 | 81.2 Ų | 81.2 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | trans | -69.9 | 152.2 | 174.4 | -68.4 | -62.8 | 138.8 | 0 | 0 | 112.2 | Y97 | E95-Y97 HydrophobicContact CB-CD1 4.46Å; E95-Y97 HydrophobicContact CB-CD2 4.4Å; E95-Y97 HydrophobicContact CB-CE1 3.98Å; E95-Y97 HydrophobicContact CB-CE2 3.93Å; E95-Y97 VanDerWaalsContact O-CD2 3.27Å; E95-Y97 WeakPolarHBondContact O-CD2 3.31Å; E95-Y97 WeakPolarHBondContact O-CE2 3.43Å | ||
| 96 | L | 51.1 | Low | 67.6 | Low | 86 Ų | 86 | 81.3 Ų | 81.3 | 45% | 0.45 | 43% | 0.433 | S | S | . | . | trans | -106.3 | 91.4 | 178.4 | -150 | 85.5 | 0 | 0 | 0 | 109.7 | E98 | L96-E98 PolarHBondContact O-N 3.17Š| ||
| 97 | Y | 51.9 | Low | 69 | Low | 69 Ų | 69 | 76.1 Ų | 76.1 | 27% | 0.271 | 41% | 0.41 | S | S | . | . | trans | -78.1 | 121.8 | -164.8 | -54.3 | -96.3 | 0 | 0 | 0 | 113.9 | Q92 E95 L101 | Q92-Y97 HydrophobicContact CB-CE2 4.47Å; Q92-Y97 PolarHBondContact O-OH 3Å; E95-Y97 HydrophobicContact CB-CD1 4.46Å; E95-Y97 HydrophobicContact CB-CD2 4.4Å; E95-Y97 HydrophobicContact CB-CE1 3.98Å; E95-Y97 HydrophobicContact CB-CE2 3.93Å; E95-Y97 VanDerWaalsContact O-CD2 3.27Å; E95-Y97 WeakPolarHBondContact O-CD2 3.31Å; E95-Y97 WeakPolarHBondContact O-CE2 3.43Å; Y97-L101 HydrophobicContact CD1-CD2 3.75Å; Y97-L101 HydrophobicContact CD2-CD1 3.69Å; Y97-L101 HydrophobicContact CD2-CD2 3.86Å; Y97-L101 HydrophobicContact CD2-CG 4.16Å; Y97-L101 HydrophobicContact CE1-CD2 4.01Å; Y97-L101 HydrophobicContact CE2-CD1 4.03Å; Y97-L101 HydrophobicContact CE2-CD2 4.11Å; Y97-L101 HydrophobicContact CG-CD1 4.23Å; Y97-L101 HydrophobicContact CG-CD2 3.67Å; Y97-L101 HydrophobicContact CG-CG 4.18Å | ||
| 98 | E | 57.3 | Low | 70.3 | Confident | 155 Ų | 155 | 73.6 Ų | 73.6 | 72% | 0.724 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -80 | -10.4 | 160.6 | -60.2 | -174.5 | 168 | 0 | 0 | 111.9 | L96 K113 | L96-E98 PolarHBondContact O-N 3.17Å; E98-K113 IonicContact OE1-NZ 3.48Å |
| 99 | E | 70.8 | Confident | 71.5 | Confident | 147 Ų | 147 | 72.8 Ų | 72.8 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -89 | 158.2 | 173.1 | -173.3 | 157 | -144.1 | 0 | 0 | 112.1 | L101 | E99-L101 PolarHBondContact O-N 3.34Š|
| 100 | W | 82.3 | Confident | 72.8 | Confident | 32 Ų | 32 | 72.4 Ų | 72.4 | 12% | 0.121 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 116.1 | -179.4 | -76.5 | 83.5 | 0 | 0 | 0 | 111.9 | A72 I74 L108 C110 L123 K126 | A72-W100 HydrophobicContact CB-CH2 4.44Å; A72-W100 HydrophobicContact CB-CZ3 4.1Å; I74-W100 HydrophobicContact CD1-CH2 4.41Å; I74-W100 HydrophobicContact CG1-CH2 3.65Å; I74-W100 HydrophobicContact CG1-CZ2 4.25Å; W100-L108 HydrophobicContact CE3-CB 3.8Å; W100-L108 HydrophobicContact CZ3-CB 4.12Å; W100-C110 HydrophobicContact CD2-CB 3.94Å; W100-C110 HydrophobicContact CE3-CB 3.98Å; W100-C110 HydrophobicContact CG-CB 4.43Å; W100-C110 HydrophobicContact CH2-CB 4.3Å; W100-C110 WeakPolarHBondContact CH2-SG 3.31Å; W100-C110 HydrophobicContact CZ2-CB 4.21Å; W100-C110 WeakPolarHBondContact CZ2-SG 3.27Å; W100-C110 HydrophobicContact CZ3-CB 4.18Å; W100-L123 HydrophobicContact CD2-CD1 4.3Å; W100-L123 HydrophobicContact CE3-CD1 4.24Å; W100-L123 HydrophobicContact CH2-CB 4.11Å; W100-L123 HydrophobicContact CH2-CD1 3.77Å; W100-L123 HydrophobicContact CH2-CD2 3.78Å; W100-L123 HydrophobicContact CH2-CG 4.08Å; W100-L123 HydrophobicContact CZ2-CB 3.61Å; W100-L123 HydrophobicContact CZ2-CD1 3.87Å; W100-L123 HydrophobicContact CZ2-CD2 4.16Å; W100-L123 HydrophobicContact CZ2-CG 4.07Å; W100-L123 HydrophobicContact CZ3-CD1 3.97Å; W100-K126 HydrophobicContact CG-CD 4.42Å |
| 101 | L | 84.8 | Confident | 74 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 137.8 | 173.1 | -57.7 | -177.4 | 0 | 0 | 0 | 110.8 | Y97 E99 L108 C109 | Y97-L101 HydrophobicContact CD1-CD2 3.75Å; Y97-L101 HydrophobicContact CD2-CD1 3.69Å; Y97-L101 HydrophobicContact CD2-CD2 3.86Å; Y97-L101 HydrophobicContact CD2-CG 4.16Å; Y97-L101 HydrophobicContact CE1-CD2 4.01Å; Y97-L101 HydrophobicContact CE2-CD1 4.03Å; Y97-L101 HydrophobicContact CE2-CD2 4.11Å; Y97-L101 HydrophobicContact CG-CD1 4.23Å; Y97-L101 HydrophobicContact CG-CD2 3.67Å; Y97-L101 HydrophobicContact CG-CG 4.18Å; E99-L101 PolarHBondContact O-N 3.34Å; L101-L108 CarbonylContact O-C 3.57Å; L101-L108 VanDerWaalsContact O-CA 3.23Å; L101-L108 WeakPolarHBondContact O-CA 3.35Å; L101-C109 PolarHBondContact N-O 3.3Å; L101-C109 PolarHBondContact O-N 2.84Å |
| 102 | E | 89.3 | Confident | 74.9 | Confident | 118 Ų | 118 | 64 Ų | 64 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.8 | 169.8 | -169.2 | 161.3 | 164.5 | 0 | 0 | 108.8 | L108 K129 | E102-L108 HydrophobicContact CB-CD2 3.78Å; E102-L108 HydrophobicContact CG-CD2 3.78Å; E102-K129 IonicContact OE1-NZ 3.75Å; E102-K129 PolarHBondContact OE1-NZ 3.39Å; E102-K129 IonicContact OE2-NZ 3.71Å; E102-K129 PolarHBondContact OE2-NZ 2.92Å |
| 103 | L | 88.6 | Confident | 75.4 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -103 | 161 | -173.9 | -59 | -172.6 | 0 | 0 | 0 | 112.3 | L63 L88 N105 G106 C107 | L63-L103 HydrophobicContact CB-CD1 3.79Å; L63-L103 HydrophobicContact CD2-CD1 3.69Å; L63-L103 HydrophobicContact CG-CD1 4.2Å; L63-L103 WeakPolarHBondContact O-CD1 3.29Å; L88-L103 HydrophobicContact CD2-CD1 4.27Å; L88-L103 HydrophobicContact CD2-CD2 4.34Å; L103-N105 PolarHBondContact O-N 3.41Å; L103-N105 VanDerWaalsContact O-N 3.09Å; L103-G106 PolarHBondContact O-N 3.39Å; L103-C107 WeakPolarHBondContact CB-O 3.22Å; L103-C107 HydrophobicContact CD1-CB 4.49Å; L103-C107 PolarHBondContact N-O 3.32Å |
| 104 | R | 88.3 | Confident | 75.8 | Confident | 254 Ų | 254 | 66.8 Ų | 66.8 | 96% | 0.958 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.3 | -175.8 | -61.3 | -176.1 | -172.8 | 170.2 | 4.3 | 114.6 | ||
| 105 | N | 90.4 | Very high | 76.9 | Confident | 31 Ų | 31 | 67 Ų | 67 | 17% | 0.166 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6.5 | 175.1 | 71.3 | -12.6 | 0 | 0 | 0 | 113.4 | I62 E65 H67 L103 C107 | I62-N105 PolarHBondContact O-ND2 2.85Å; E65-N105 PolarHBondContact O-ND2 2.82Å; H67-N105 PolarHBondContact NE2-ND2 2.82Å; H67-N105 VanDerWaalsContact NE2-ND2 3.14Å; L103-N105 PolarHBondContact O-N 3.41Å; L103-N105 VanDerWaalsContact O-N 3.09Å; N105-C107 VanDerWaalsContact C-N 3.31Å; N105-C107 PolarHBondContact O-N 2.89Å; N105-C107 VanDerWaalsContact OD1-CB 3.24Å; N105-C107 WeakPolarHBondContact OD1-CB 3.19Å; N105-C107 PolarHBondContact OD1-N 2.95Å; N105-C107 PolarHBondContact OD1-SG 3.46Å |
| 106 | G | 91.6 | Very high | 78.2 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 79.4 | 5.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R70 L103 | R70-G106 WeakPolarHBondContact CA-O 3.34Å; R70-G106 VanDerWaalsContact CB-O 3.25Å; R70-G106 WeakPolarHBondContact CB-O 3.44Å; R70-G106 WeakPolarHBondContact CG-O 3.08Å; L103-G106 PolarHBondContact O-N 3.39Å |
| 107 | C | 93.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -75 | 154.3 | 168.8 | -66.6 | 0 | 0 | 0 | 0 | 111.2 | I62 L63 H67 V71 L103 N105 | I62-C107 PolarHBondContact O-SG 3.18Å; I62-C107 VanDerWaalsContact O-SG 3.4Å; L63-C107 HydrophobicContact CD2-CB 4.31Å; H67-C107 PolarHBondContact CE1-SG 3.05Å; H67-C107 PolarHBondContact NE2-SG 3.21Å; V71-C107 CarbonylContact O-C 3.54Å; V71-C107 VanDerWaalsContact O-CA 3.23Å; V71-C107 WeakPolarHBondContact O-CA 3.38Å; V71-C107 WeakPolarHBondContact O-CB 3.23Å; L103-C107 WeakPolarHBondContact CB-O 3.22Å; L103-C107 HydrophobicContact CD1-CB 4.49Å; L103-C107 PolarHBondContact N-O 3.32Å; N105-C107 VanDerWaalsContact C-N 3.31Å; N105-C107 PolarHBondContact O-N 2.89Å; N105-C107 VanDerWaalsContact OD1-CB 3.24Å; N105-C107 WeakPolarHBondContact OD1-CB 3.19Å; N105-C107 PolarHBondContact OD1-N 2.95Å; N105-C107 PolarHBondContact OD1-SG 3.46Å | ||
| 108 | L | 91.5 | Very high | 80.9 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.2 | 167.7 | -55.7 | -179.7 | 0 | 0 | 0 | 108.9 | V71 A72 V73 W100 L101 E102 L123 K129 F130 | V71-L108 PolarHBondContact O-N 2.84Å; A72-L108 CarbonylContact C-O 3.54Å; A72-L108 WeakPolarHBondContact CA-O 3.24Å; A72-L108 HydrophobicContact CB-CB 4.26Å; V73-L108 PolarHBondContact N-O 3.49Å; W100-L108 HydrophobicContact CE3-CB 3.8Å; W100-L108 HydrophobicContact CZ3-CB 4.12Å; L101-L108 CarbonylContact O-C 3.57Å; L101-L108 VanDerWaalsContact O-CA 3.23Å; L101-L108 WeakPolarHBondContact O-CA 3.35Å; E102-L108 HydrophobicContact CB-CD2 3.78Å; E102-L108 HydrophobicContact CG-CD2 3.78Å; L108-L123 HydrophobicContact CD1-CD1 4.29Å; L108-K129 HydrophobicContact CD1-CB 4.19Å; L108-F130 HydrophobicContact CD1-CB 4.41Å; L108-F130 HydrophobicContact CD1-CD1 4.28Å |
| 109 | C | 88.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 148.8 | 167 | 63.6 | 0 | 0 | 0 | 0 | 112.8 | L63 V73 L101 | L63-C109 HydrophobicContact CD1-CB 4.29Å; L63-C109 HydrophobicContact CD2-CB 4.09Å; V73-C109 HydrophobicContact CB-CB 4.39Å; V73-C109 VanDerWaalsContact O-CA 3.29Å; V73-C109 WeakPolarHBondContact O-CA 3.21Å; L101-C109 PolarHBondContact N-O 3.3Å; L101-C109 PolarHBondContact O-N 2.84Å |
| 110 | C | 84.4 | Confident | 82.9 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 158.3 | 164 | 71.7 | 0 | 0 | 0 | 0 | 110.4 | V73 L75 W100 | V73-C110 PolarHBondContact O-N 2.85Å; L75-C110 PolarHBondContact N-O 3.1Å; W100-C110 HydrophobicContact CD2-CB 3.94Å; W100-C110 HydrophobicContact CE3-CB 3.98Å; W100-C110 HydrophobicContact CG-CB 4.43Å; W100-C110 HydrophobicContact CH2-CB 4.3Å; W100-C110 WeakPolarHBondContact CH2-SG 3.31Å; W100-C110 HydrophobicContact CZ2-CB 4.21Å; W100-C110 WeakPolarHBondContact CZ2-SG 3.27Å; W100-C110 HydrophobicContact CZ3-CB 4.18Å |
| 111 | S | 79.9 | Confident | 83 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.9 | 169.2 | -166.3 | 0 | 0 | 0 | 0 | 108.3 | E77 | E77-S111 WeakPolarHBondContact CG-OG 3.45Å; E77-S111 WeakPolarHBondContact OE2-CB 3.29Å; E77-S111 PolarHBondContact OE2-OG 3.38Å |
| 112 | V | 74.1 | Confident | 83.1 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 124.1 | 174.7 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | I74 L75 E77 D114 A119 | I74-V112 HydrophobicContact CG2-CG2 3.68Å; L75-V112 WeakPolarHBondContact O-CG2 3.5Å; L75-V112 PolarHBondContact O-N 3.39Å; E77-V112 PolarHBondContact N-O 2.89Å; E77-V112 PolarHBondContact OE2-N 3.41Å; V112-D114 VanDerWaalsContact C-N 3.32Å; V112-A119 HydrophobicContact CG1-CB 3.9Å; V112-A119 HydrophobicContact CG2-CB 4.39Å |
| 113 | K | 65.5 | Low | 83 | Confident | 120 Ų | 120 | 46.6 Ų | 46.6 | 52% | 0.522 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -76.7 | -25.5 | 162.5 | -57.3 | 164.9 | -163.3 | 145.8 | 0 | 111.9 | E77 E98 | E77-K113 HydrophobicContact CB-CG 4.16Å; E77-K113 HydrophobicContact CG-CG 4.33Å; E77-K113 WeakPolarHBondContact OE1-CE 3.46Å; E77-K113 WeakPolarHBondContact OE1-CG 3.37Å; E77-K113 WeakPolarHBondContact OE2-CG 3.4Å; E77-K113 PolarHBondContact OE2-N 3.47Å; E98-K113 IonicContact OE1-NZ 3.48Å |
| 114 | D | 64.3 | Low | 82.9 | Confident | 86 Ų | 86 | 46.7 Ų | 46.7 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -95 | 171.6 | -173.8 | -135.5 | 25.7 | 0 | 0 | 0 | 110.9 | V112 G116 R118 | V112-D114 VanDerWaalsContact C-N 3.32Å; D114-G116 PolarHBondContact O-N 3.26Å; D114-R118 IonicContact OD1-NH1 3.64Å; D114-R118 WeakPolarHBondContact OD2-CD 3.32Å; D114-R118 IonicContact OD2-CZ 2.65Å; D114-R118 IonicContact OD2-NE 2.69Å; D114-R118 IonicContact OD2-NH1 3.98Å; D114-R118 PolarHBondContact OD2-NH1 3.41Å |
| 115 | S | 74.7 | Confident | 82.8 | Confident | 57 Ų | 57 | 41.7 Ų | 41.7 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | trans | -58.2 | 128.2 | -179.7 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | L117 R118 | S115-L117 PolarHBondContact O-N 3.33Å; S115-L117 WeakPolarHBondContact OG-CB 3.33Å; S115-L117 PolarHBondContact OG-N 3.28Å; S115-R118 WeakPolarHBondContact O-CB 3.26Å; S115-R118 PolarHBondContact O-N 2.91Å | ||
| 116 | G | 78 | Confident | 82.7 | Confident | 15 Ų | 15 | 44 Ų | 44 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.9 | -15.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D114 A119 I120 | D114-G116 PolarHBondContact O-N 3.26Å; G116-A119 WeakPolarHBondContact O-CB 3.43Å; G116-A119 PolarHBondContact O-N 3.39Å; G116-I120 WeakPolarHBondContact O-CG1 3.41Å; G116-I120 PolarHBondContact O-N 2.83Å; G116-I120 VanDerWaalsContact O-N 3.09Å |
| 117 | L | 79 | Confident | 82.5 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.2 | -55.1 | 165 | 178.6 | 54.4 | 0 | 0 | 0 | 111.3 | S115 A119 I120 E121 I145 V149 | S115-L117 PolarHBondContact O-N 3.33Å; S115-L117 WeakPolarHBondContact OG-CB 3.33Å; S115-L117 PolarHBondContact OG-N 3.28Å; L117-A119 VanDerWaalsContact C-N 3.27Å; L117-A119 PolarHBondContact O-N 3.23Å; L117-I120 PolarHBondContact O-N 2.97Å; L117-I120 VanDerWaalsContact O-N 3.15Å; L117-E121 HydrophobicContact CD1-CG 4.26Å; L117-E121 WeakPolarHBondContact O-CG 2.78Å; L117-E121 PolarHBondContact O-N 2.94Å; L117-I145 HydrophobicContact CB-CG2 3.86Å; L117-I145 HydrophobicContact CD2-CD1 4.49Å; L117-V149 HydrophobicContact CD1-CG2 3.38Å |
| 118 | R | 81.1 | Confident | 82.2 | Confident | 146 Ų | 146 | 51.7 Ų | 51.7 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.1 | -36.6 | 179.7 | -73.5 | 178.2 | 165.4 | -172.9 | -4.7 | 111.7 | D114 S115 I120 E121 N122 | D114-R118 IonicContact OD1-NH1 3.64Å; D114-R118 WeakPolarHBondContact OD2-CD 3.32Å; D114-R118 IonicContact OD2-CZ 2.65Å; D114-R118 IonicContact OD2-NE 2.69Å; D114-R118 IonicContact OD2-NH1 3.98Å; D114-R118 PolarHBondContact OD2-NH1 3.41Å; S115-R118 WeakPolarHBondContact O-CB 3.26Å; S115-R118 PolarHBondContact O-N 2.91Å; R118-I120 PolarHBondContact O-N 3.15Å; R118-E121 PolarHBondContact O-N 2.94Å; R118-N122 WeakPolarHBondContact O-CB 3.41Å; R118-N122 PolarHBondContact O-N 3.36Å; R118-N122 PolarHBondContact O-ND2 3.47Å |
| 119 | A | 84.5 | Confident | 82.2 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I74 V112 G116 L117 N122 L123 | I74-A119 HydrophobicContact CD1-CB 3.83Å; I74-A119 HydrophobicContact CG1-CB 4.05Å; I74-A119 HydrophobicContact CG2-CB 3.69Å; V112-A119 HydrophobicContact CG1-CB 3.9Å; V112-A119 HydrophobicContact CG2-CB 4.39Å; G116-A119 WeakPolarHBondContact O-CB 3.43Å; G116-A119 PolarHBondContact O-N 3.39Å; L117-A119 VanDerWaalsContact C-N 3.27Å; L117-A119 PolarHBondContact O-N 3.23Å; A119-N122 PolarHBondContact O-N 2.93Å; A119-L123 VanDerWaalsContact O-CB 3.24Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 PolarHBondContact O-N 3.36Å |
| 120 | I | 85.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 178.2 | -57 | 163.4 | 0 | 0 | 0 | 111.3 | I74 G116 L117 R118 N122 L123 M124 I133 V149 L155 | I74-I120 HydrophobicContact CD1-CD1 4.49Å; I74-I120 HydrophobicContact CD1-CG1 3.54Å; G116-I120 WeakPolarHBondContact O-CG1 3.41Å; G116-I120 PolarHBondContact O-N 2.83Å; G116-I120 VanDerWaalsContact O-N 3.09Å; L117-I120 PolarHBondContact O-N 2.97Å; L117-I120 VanDerWaalsContact O-N 3.15Å; R118-I120 PolarHBondContact O-N 3.15Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.09Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 3.36Å; I120-L123 VanDerWaalsContact O-N 3.16Å; I120-M124 HydrophobicContact CG2-CG 4.12Å; I120-M124 VanDerWaalsContact O-CG 3.31Å; I120-M124 WeakPolarHBondContact O-CG 3.32Å; I120-M124 PolarHBondContact O-N 2.98Å; I120-I133 HydrophobicContact CG2-CD1 4.16Å; I120-V149 HydrophobicContact CB-CG1 4.28Å; I120-V149 HydrophobicContact CD1-CG1 4.42Å; I120-V149 HydrophobicContact CG2-CG1 3.63Å; I120-L155 HydrophobicContact CG2-CD1 4.07Å |
| 121 | E | 85.4 | Confident | 82.8 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 177 | -66.2 | -165.5 | 134.9 | 0 | 0 | 112.7 | L117 R118 Q125 K152 Y153 | L117-E121 HydrophobicContact CD1-CG 4.26Å; L117-E121 WeakPolarHBondContact O-CG 2.78Å; L117-E121 PolarHBondContact O-N 2.94Å; R118-E121 PolarHBondContact O-N 2.94Å; E121-Q125 PolarHBondContact O-NE2 3.5Å; E121-K152 IonicContact OE1-NZ 3.48Å; E121-K152 PolarHBondContact OE1-NZ 3.22Å; E121-Y153 HydrophobicContact CG-CE2 3.93Å |
| 122 | N | 85.4 | Confident | 83.4 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 43% | 0.433 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -74.5 | -29 | 174 | -72.3 | -20.3 | 0 | 0 | 0 | 113.1 | R118 A119 I120 Q125 | R118-N122 WeakPolarHBondContact O-CB 3.41Å; R118-N122 PolarHBondContact O-N 3.36Å; R118-N122 PolarHBondContact O-ND2 3.47Å; A119-N122 PolarHBondContact O-N 2.93Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.09Å; N122-Q125 PolarHBondContact OD1-NE2 3.39Å |
| 123 | L | 87.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.3 | -39.6 | 174.2 | -179.2 | 59.4 | 0 | 0 | 0 | 112 | A72 W100 L108 A119 I120 Q125 K126 F130 I133 | A72-L123 HydrophobicContact CB-CD1 3.7Å; A72-L123 HydrophobicContact CB-CD2 3.51Å; A72-L123 HydrophobicContact CB-CG 4.21Å; W100-L123 HydrophobicContact CD2-CD1 4.3Å; W100-L123 HydrophobicContact CE3-CD1 4.24Å; W100-L123 HydrophobicContact CH2-CB 4.11Å; W100-L123 HydrophobicContact CH2-CD1 3.77Å; W100-L123 HydrophobicContact CH2-CD2 3.78Å; W100-L123 HydrophobicContact CH2-CG 4.08Å; W100-L123 HydrophobicContact CZ2-CB 3.61Å; W100-L123 HydrophobicContact CZ2-CD1 3.87Å; W100-L123 HydrophobicContact CZ2-CD2 4.16Å; W100-L123 HydrophobicContact CZ2-CG 4.07Å; W100-L123 HydrophobicContact CZ3-CD1 3.97Å; L108-L123 HydrophobicContact CD1-CD1 4.29Å; A119-L123 VanDerWaalsContact O-CB 3.24Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 PolarHBondContact O-N 3.36Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 3.36Å; I120-L123 VanDerWaalsContact O-N 3.16Å; L123-Q125 PolarHBondContact O-N 2.92Å; L123-K126 WeakPolarHBondContact O-CA 3.44Å; L123-K126 WeakPolarHBondContact O-CB 3.29Å; L123-K126 PolarHBondContact O-N 2.62Å; L123-F130 HydrophobicContact CD1-CD1 3.6Å; L123-F130 HydrophobicContact CD1-CE1 3.45Å; L123-F130 VanDerWaalsContact CD1-CE1 3.45Å; L123-F130 HydrophobicContact CD1-CE2 4.44Å; L123-F130 HydrophobicContact CD1-CG 4.2Å; L123-F130 HydrophobicContact CD1-CZ 3.93Å; L123-F130 HydrophobicContact CD2-CD2 4.47Å; L123-F130 HydrophobicContact CD2-CE1 4.49Å; L123-F130 HydrophobicContact CD2-CE2 4.1Å; L123-F130 HydrophobicContact CD2-CZ 4.14Å; L123-F130 HydrophobicContact CG-CD1 4.2Å; L123-F130 HydrophobicContact CG-CE1 3.64Å; L123-F130 HydrophobicContact CG-CE2 4.04Å; L123-F130 HydrophobicContact CG-CZ 3.57Å; L123-F130 VanDerWaalsContact O-CE1 3.3Å; L123-F130 WeakPolarHBondContact O-CE1 3.26Å; L123-I133 HydrophobicContact CD2-CD1 3.86Å; L123-I133 HydrophobicContact CD2-CG1 3.82Å; L123-I133 HydrophobicContact CD2-CG2 4.12Å |
| 124 | M | 87.1 | Confident | 85.6 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -21.8 | 179.9 | -73 | -56.9 | -58.3 | 0 | 0 | 113.1 | I42 I120 K126 K127 F130 I133 Y153 L155 | I42-M124 HydrophobicContact CD1-CE 4.14Å; I42-M124 HydrophobicContact CD1-SD 4.15Å; I120-M124 HydrophobicContact CG2-CG 4.12Å; I120-M124 VanDerWaalsContact O-CG 3.31Å; I120-M124 WeakPolarHBondContact O-CG 3.32Å; I120-M124 PolarHBondContact O-N 2.98Å; M124-K126 PolarHBondContact O-N 3.05Å; M124-K127 HydrophobicContact CE-CD 4.15Å; M124-K127 WeakPolarHBondContact O-CB 3.33Å; M124-K127 PolarHBondContact O-N 3.49Å; M124-F130 HydrophobicContact SD-CZ 4.31Å; M124-I133 HydrophobicContact SD-CD1 4.4Å; M124-Y153 HydrophobicContact CB-CD1 3.86Å; M124-Y153 HydrophobicContact CB-CE1 3.83Å; M124-Y153 HydrophobicContact CE-CD1 4.06Å; M124-Y153 HydrophobicContact CE-CG 4.48Å; M124-Y153 HydrophobicContact CG-CD1 3.7Å; M124-Y153 HydrophobicContact CG-CE1 4.07Å; M124-Y153 HydrophobicContact CG-CG 3.96Å; M124-L155 HydrophobicContact CE-CD2 4.47Å; M124-L155 HydrophobicContact SD-CD2 4.06Å |
| 125 | Q | 87.1 | Confident | 86.8 | Confident | 149 Ų | 149 | 52.1 Ų | 52.1 | 70% | 0.696 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22 | 169.2 | -61.5 | 168.9 | 39.5 | 0 | 0 | 112.8 | E121 N122 L123 | E121-Q125 PolarHBondContact O-NE2 3.5Å; N122-Q125 PolarHBondContact OD1-NE2 3.39Å; L123-Q125 PolarHBondContact O-N 2.92Å |
| 126 | K | 86.8 | Confident | 87.4 | Confident | 78 Ų | 78 | 50.5 Ų | 50.5 | 34% | 0.339 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 19.1 | 177 | -56.6 | -174.2 | 176 | 71.3 | 0 | 112.8 | W100 L123 M124 G128 K129 F130 | W100-K126 HydrophobicContact CG-CD 4.42Å; L123-K126 WeakPolarHBondContact O-CA 3.44Å; L123-K126 WeakPolarHBondContact O-CB 3.29Å; L123-K126 PolarHBondContact O-N 2.62Å; M124-K126 PolarHBondContact O-N 3.05Å; K126-G128 PolarHBondContact O-N 3.26Å; K126-K129 WeakPolarHBondContact O-CB 3.45Å; K126-K129 PolarHBondContact O-N 3.16Å; K126-K129 VanDerWaalsContact O-N 3.1Å; K126-F130 HydrophobicContact CB-CE1 4.44Å; K126-F130 WeakPolarHBondContact O-CE1 3.28Å |
| 127 | K | 87.1 | Confident | 87.5 | Confident | 137 Ų | 137 | 50.5 Ų | 50.5 | 60% | 0.596 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 134.2 | -178.3 | 179.8 | 172.2 | -179.4 | -179.3 | 0 | 111.3 | I42 M124 | I42-K127 HydrophobicContact CD1-CD 4.29Å; I42-K127 HydrophobicContact CD1-CG 4.14Å; M124-K127 HydrophobicContact CE-CD 4.15Å; M124-K127 WeakPolarHBondContact O-CB 3.33Å; M124-K127 PolarHBondContact O-N 3.49Å |
| 128 | G | 88.4 | Confident | 87.2 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 50% | 0.495 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97 | -15.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R70 K126 | R70-G128 PolarHBondContact NH1-O 3.14Å; R70-G128 PolarHBondContact NH2-O 1.89Å; R70-G128 VanDerWaalsContact NH2-O 3.13Å; K126-G128 PolarHBondContact O-N 3.26Å |
| 129 | K | 90.9 | Very high | 86.2 | Confident | 101 Ų | 101 | 45.4 Ų | 45.4 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -77.4 | -23.6 | 166.7 | -80.4 | -71.1 | -157.4 | 146.6 | 0 | 113.7 | R70 E102 L108 K126 | R70-K129 WeakPolarHBondContact CD-O 3.36Å; R70-K129 PolarHBondContact NH1-O 2.96Å; E102-K129 IonicContact OE1-NZ 3.75Å; E102-K129 PolarHBondContact OE1-NZ 3.39Å; E102-K129 IonicContact OE2-NZ 3.71Å; E102-K129 PolarHBondContact OE2-NZ 2.92Å; L108-K129 HydrophobicContact CD1-CB 4.19Å; K126-K129 WeakPolarHBondContact O-CB 3.45Å; K126-K129 PolarHBondContact O-N 3.16Å; K126-K129 VanDerWaalsContact O-N 3.1Å |
| 130 | F | 92.9 | Very high | 85.1 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | trans | -134 | 154.2 | -176.6 | 62.1 | -81.7 | 0 | 0 | 0 | 111 | I42 R70 A72 L108 L123 M124 K126 I133 | I42-F130 HydrophobicContact CD1-CE2 3.81Å; I42-F130 HydrophobicContact CD1-CZ 4.12Å; I42-F130 HydrophobicContact CG2-CD2 4.45Å; I42-F130 HydrophobicContact CG2-CE2 4.11Å; R70-F130 CarbonylContact O-C 3.58Å; R70-F130 WeakPolarHBondContact O-CA 3.46Å; R70-F130 WeakPolarHBondContact O-CB 3.1Å; A72-F130 HydrophobicContact CB-CB 3.86Å; A72-F130 HydrophobicContact CB-CD1 4.46Å; A72-F130 HydrophobicContact CB-CD2 3.98Å; A72-F130 HydrophobicContact CB-CG 3.83Å; L108-F130 HydrophobicContact CD1-CB 4.41Å; L108-F130 HydrophobicContact CD1-CD1 4.28Å; L123-F130 HydrophobicContact CD1-CD1 3.6Å; L123-F130 HydrophobicContact CD1-CE1 3.45Å; L123-F130 VanDerWaalsContact CD1-CE1 3.45Å; L123-F130 HydrophobicContact CD1-CE2 4.44Å; L123-F130 HydrophobicContact CD1-CG 4.2Å; L123-F130 HydrophobicContact CD1-CZ 3.93Å; L123-F130 HydrophobicContact CD2-CD2 4.47Å; L123-F130 HydrophobicContact CD2-CE1 4.49Å; L123-F130 HydrophobicContact CD2-CE2 4.1Å; L123-F130 HydrophobicContact CD2-CZ 4.14Å; L123-F130 HydrophobicContact CG-CD1 4.2Å; L123-F130 HydrophobicContact CG-CE1 3.64Å; L123-F130 HydrophobicContact CG-CE2 4.04Å; L123-F130 HydrophobicContact CG-CZ 3.57Å; L123-F130 VanDerWaalsContact O-CE1 3.3Å; L123-F130 WeakPolarHBondContact O-CE1 3.26Å; M124-F130 HydrophobicContact SD-CZ 4.31Å; K126-F130 HydrophobicContact CB-CE1 4.44Å; K126-F130 WeakPolarHBondContact O-CE1 3.28Å; F130-I133 HydrophobicContact CD2-CG1 4.02Å; F130-I133 HydrophobicContact CE2-CD1 3.89Å; F130-I133 HydrophobicContact CE2-CG1 3.66Å | ||
| 131 | D | 93 | Very high | 84.1 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -109.8 | -14.5 | -175.7 | -50.9 | -57.3 | 0 | 0 | 0 | 112.6 | P43 R70 | P43-D131 WeakPolarHBondContact CD-O 3.49Å; R70-D131 VanDerWaalsContact CB-OD2 3.25Å; R70-D131 WeakPolarHBondContact CB-OD2 3.36Å; R70-D131 WeakPolarHBondContact CG-OD2 3.43Å; R70-D131 IonicContact CZ-OD1 2.87Å; R70-D131 IonicContact CZ-OD2 3.62Å; R70-D131 PolarHBondContact N-OD2 3.4Å; R70-D131 IonicContact NE-OD1 2.62Å; R70-D131 PolarHBondContact NE-OD1 3.06Å; R70-D131 IonicContact NE-OD2 3.47Å; R70-D131 PolarHBondContact NE-OD2 3.41Å; R70-D131 IonicContact NH2-OD1 3.33Å; R70-D131 PolarHBondContact NH2-OD1 3.16Å; R70-D131 IonicContact NH2-OD2 2.6Å; R70-D131 PolarHBondContact O-N 3.06Å |
| 132 | Y | 93.8 | Very high | 83.1 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 144.7 | -169.9 | -162.8 | -78.5 | 0 | 0 | 0 | 110.1 | P43 T45 V71 A72 L134 | P43-Y132 HydrophobicContact CB-CD2 3.93Å; P43-Y132 HydrophobicContact CB-CE2 3.9Å; P43-Y132 HydrophobicContact CG-CD2 3.39Å; P43-Y132 HydrophobicContact CG-CE2 3.88Å; P43-Y132 HydrophobicContact CG-CG 4.04Å; T45-Y132 WeakPolarHBondContact CB-OH 3.49Å; T45-Y132 PolarHBondContact OG1-OH 3.46Å; V71-Y132 HydrophobicContact CG1-CD1 4.07Å; A72-Y132 PolarHBondContact N-O 3.12Å; Y132-L134 HydrophobicContact CE1-CD1 4.28Å |
| 133 | I | 92.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.4 | 173.2 | -54.4 | 178.9 | 0 | 0 | 0 | 109.5 | I42 P43 V44 T45 A72 I74 I120 L123 M124 F130 L155 | I42-I133 HydrophobicContact CG2-CD1 4.36Å; I42-I133 HydrophobicContact CG2-CG1 4.07Å; P43-I133 PolarHBondContact O-N 3.4Å; V44-I133 CarbonylContact C-O 3.58Å; V44-I133 WeakPolarHBondContact CA-O 3.32Å; V44-I133 HydrophobicContact CB-CB 4.46Å; V44-I133 HydrophobicContact CG1-CG2 4.41Å; V44-I133 HydrophobicContact CG2-CB 3.99Å; V44-I133 HydrophobicContact CG2-CD1 4.09Å; V44-I133 HydrophobicContact CG2-CG1 4.45Å; V44-I133 HydrophobicContact CG2-CG2 4.46Å; T45-I133 PolarHBondContact N-O 2.89Å; A72-I133 WeakPolarHBondContact O-CA 3.38Å; I74-I133 HydrophobicContact CD1-CG2 4.16Å; I120-I133 HydrophobicContact CG2-CD1 4.16Å; L123-I133 HydrophobicContact CD2-CD1 3.86Å; L123-I133 HydrophobicContact CD2-CG1 3.82Å; L123-I133 HydrophobicContact CD2-CG2 4.12Å; M124-I133 HydrophobicContact SD-CD1 4.4Å; F130-I133 HydrophobicContact CD2-CG1 4.02Å; F130-I133 HydrophobicContact CE2-CD1 3.89Å; F130-I133 HydrophobicContact CE2-CG1 3.66Å; I133-L155 HydrophobicContact CD1-CD1 4.39Å |
| 134 | L | 92.1 | Very high | 81.3 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120 | 173.4 | -168 | 71 | 0 | 0 | 0 | 109.4 | T45 I47 L59 I62 V71 A72 V73 I74 Y132 | T45-L134 HydrophobicContact CG2-CD1 3.86Å; T45-L134 CarbonylContact O-C 3.57Å; T45-L134 WeakPolarHBondContact O-CA 3.47Å; I47-L134 HydrophobicContact CD1-CD1 3.82Å; I47-L134 HydrophobicContact CD1-CD2 3.94Å; I47-L134 HydrophobicContact CD1-CG 4.1Å; I47-L134 HydrophobicContact CG1-CD1 3.88Å; I47-L134 HydrophobicContact CG1-CG 4.47Å; L59-L134 HydrophobicContact CD2-CD2 3.76Å; I62-L134 HydrophobicContact CD1-CD2 3.56Å; I62-L134 HydrophobicContact CG2-CD2 4.45Å; V71-L134 HydrophobicContact CG1-CB 3.93Å; A72-L134 PolarHBondContact O-N 3.05Å; V73-L134 CarbonylContact C-O 3.56Å; V73-L134 WeakPolarHBondContact CA-O 3.47Å; V73-L134 HydrophobicContact CG2-CB 4.22Å; V73-L134 HydrophobicContact CG2-CD2 4.24Å; I74-L134 PolarHBondContact N-O 2.89Å; Y132-L134 HydrophobicContact CE1-CD1 4.28Å |
| 135 | L | 89 | Confident | 80.3 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119 | 176 | 176.3 | 62.1 | 0 | 0 | 0 | 108.7 | T45 I46 I47 I74 T137 I146 | T45-L135 PolarHBondContact O-N 3.48Å; I46-L135 CarbonylContact C-O 3.6Å; I46-L135 VanDerWaalsContact CA-O 3.31Å; I46-L135 WeakPolarHBondContact CA-O 3.25Å; I46-L135 HydrophobicContact CG1-CD2 4.48Å; I47-L135 PolarHBondContact N-O 3.47Å; I74-L135 HydrophobicContact CB-CD1 3.66Å; I74-L135 HydrophobicContact CD1-CD1 4.35Å; I74-L135 HydrophobicContact CG2-CD1 3.5Å; L135-T137 HydrophobicContact CD2-CG2 4.24Å; L135-T137 HydrophobicContact CG-CG2 4.03Å; L135-I146 HydrophobicContact CD2-CD1 3.74Å |
| 136 | E | 87.3 | Confident | 79.5 | Confident | 24 Ų | 24 | 52 Ų | 52 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 144.3 | 165 | -171.4 | -92.1 | 170.5 | 0 | 0 | 110.1 | K55 L59 I74 N76 | K55-E136 HydrophobicContact CD-CG 4.48Å; K55-E136 WeakPolarHBondContact CE-OE1 3.38Å; K55-E136 IonicContact NZ-OE1 2.95Å; K55-E136 PolarHBondContact NZ-OE1 2.72Å; L59-E136 HydrophobicContact CD1-CB 3.97Å; L59-E136 HydrophobicContact CD1-CG 3.82Å; L59-E136 HydrophobicContact CD2-CB 4.45Å; I74-E136 PolarHBondContact O-N 2.72Å; N76-E136 WeakPolarHBondContact CB-O 3.49Å; N76-E136 PolarHBondContact N-OE2 3.17Å |
| 137 | T | 80.4 | Confident | 78.8 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | trans | -142.2 | 150.5 | 174.1 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | I46 I47 T48 K55 L135 A141 | I46-T137 HydrophobicContact CG2-CG2 3.92Å; I47-T137 PolarHBondContact O-N 2.81Å; I47-T137 PolarHBondContact O-OG1 3.11Å; T48-T137 WeakPolarHBondContact CA-OG1 3.49Å; T48-T137 VanDerWaalsContact CB-OG1 3.27Å; T48-T137 WeakPolarHBondContact CB-OG1 2.95Å; T48-T137 PolarHBondContact OG1-OG1 2.99Å; K55-T137 VanDerWaalsContact CE-O 3.26Å; K55-T137 WeakPolarHBondContact CE-O 3.44Å; L135-T137 HydrophobicContact CD2-CG2 4.24Å; L135-T137 HydrophobicContact CG-CG2 4.03Å; T137-A141 HydrophobicContact CG2-CB 3.84Å | ||
| 138 | T | 72.7 | Confident | 78.2 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | trans | -67.3 | 166.1 | 160.9 | 57.2 | 0 | 0 | 0 | 0 | 110.2 | T48 F78 L140 | T48-T138 PolarHBondContact OG1-O 2.42Å; F78-T138 HydrophobicContact CB-CG2 3.75Å; T138-L140 PolarHBondContact O-N 3.46Å | ||
| 139 | G | 61.1 | Low | 77.3 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -65.4 | 22.5 | -171 | 0 | 0 | 0 | 0 | 0 | 118 | T48 G49 | T48-G139 WeakPolarHBondContact OG1-CA 3.05Å; G49-G139 PolarHBondContact O-N 3.46Å |
| 140 | L | 62.2 | Low | 76.6 | Confident | 159 Ų | 159 | 45.6 Ų | 45.6 | 83% | 0.832 | 26% | 0.263 | S | S | * | . | trans | -140.6 | 42.8 | -178.9 | -66.1 | 175.2 | 0 | 0 | 0 | 111.3 | T138 | T138-L140 PolarHBondContact O-N 3.46Š| ||
| 141 | A | 62.9 | Low | 75.8 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 28% | 0.281 | 30% | 0.296 | S | S | . | . | trans | -67.1 | 130.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T137 P143 | T137-A141 HydrophobicContact CG2-CB 3.84Å; A141-P143 WeakPolarHBondContact O-CD 3.06Å | ||
| 142 | D | 65.4 | Low | 75.1 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | trans | -80.3 | 115.9 | 171.3 | 174.3 | 22.4 | 0 | 0 | 0 | 111.2 | G144 | D142-G144 VanDerWaalsContact C-N 3.25Å; D142-G144 PolarHBondContact O-N 3.04Å; D142-G144 PolarHBondContact OD1-N 3.5Å | ||
| 143 | P | 64.1 | Low | 74.4 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.4 | -15.5 | 177.2 | 31.7 | -36.9 | 0 | 0 | 0 | 113.8 | A141 I146 T147 Y159 | A141-P143 WeakPolarHBondContact O-CD 3.06Å; P143-I146 PolarHBondContact O-N 3.26Å; P143-T147 PolarHBondContact O-N 3.38Å; P143-T147 PolarHBondContact O-OG1 2.55Å; P143-Y159 VanDerWaalsContact CA-OH 3.22Å; P143-Y159 WeakPolarHBondContact CA-OH 3.01Å; P143-Y159 HydrophobicContact CB-CE1 3.96Å; P143-Y159 WeakPolarHBondContact CB-OH 3.11Å |
| 144 | G | 70.8 | Confident | 73.7 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D142 I146 T147 I148 | D142-G144 VanDerWaalsContact C-N 3.25Å; D142-G144 PolarHBondContact O-N 3.04Å; D142-G144 PolarHBondContact OD1-N 3.5Å; G144-I146 PolarHBondContact O-N 2.76Å; G144-T147 PolarHBondContact O-N 2.94Å; G144-I148 PolarHBondContact O-N 2.84Å |
| 145 | I | 66.1 | Low | 73.1 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -47.2 | -48.4 | 174.3 | -68.6 | -68.7 | 0 | 0 | 0 | 111.7 | L117 I148 | L117-I145 HydrophobicContact CB-CG2 3.86Å; L117-I145 HydrophobicContact CD2-CD1 4.49Å; I145-I148 WeakPolarHBondContact O-CB 3.28Å; I145-I148 PolarHBondContact O-N 2.98Å |
| 146 | I | 69.5 | Low | 72.7 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -85 | -24.1 | -166.3 | -55.3 | 174.5 | 0 | 0 | 0 | 111.4 | I46 L135 P143 G144 I148 V149 D150 V157 | I46-I146 HydrophobicContact CD1-CD1 3.32Å; I46-I146 HydrophobicContact CD1-CG1 4.49Å; I46-I146 HydrophobicContact CD1-CG2 4.23Å; I46-I146 HydrophobicContact CG1-CD1 3.68Å; L135-I146 HydrophobicContact CD2-CD1 3.74Å; P143-I146 PolarHBondContact O-N 3.26Å; G144-I146 PolarHBondContact O-N 2.76Å; I146-I148 VanDerWaalsContact C-N 3.26Å; I146-I148 PolarHBondContact O-N 3.21Å; I146-V149 PolarHBondContact O-N 3.26Å; I146-V149 VanDerWaalsContact O-N 3.14Å; I146-D150 PolarHBondContact O-N 2.88Å; I146-V157 HydrophobicContact CG2-CB 4.49Å; I146-V157 HydrophobicContact CG2-CG1 3.8Å; I146-V157 HydrophobicContact CG2-CG2 3.79Å |
| 147 | T | 72.5 | Confident | 72.5 | Confident | 84 Ų | 84 | 60.1 Ų | 60.1 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -35.6 | 169.2 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | P143 G144 S151 | P143-T147 PolarHBondContact O-N 3.38Å; P143-T147 PolarHBondContact O-OG1 2.55Å; G144-T147 PolarHBondContact O-N 2.94Å; T147-S151 WeakPolarHBondContact O-CB 3.28Å; T147-S151 PolarHBondContact O-N 2.94Å; T147-S151 PolarHBondContact O-OG 2.94Å |
| 148 | I | 74.3 | Confident | 72.7 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 173.5 | -59 | 165.8 | 0 | 0 | 0 | 110.5 | G144 I145 I146 S151 K152 | G144-I148 PolarHBondContact O-N 2.84Å; I145-I148 WeakPolarHBondContact O-CB 3.28Å; I145-I148 PolarHBondContact O-N 2.98Å; I146-I148 VanDerWaalsContact C-N 3.26Å; I146-I148 PolarHBondContact O-N 3.21Å; I148-S151 PolarHBondContact O-N 3.37Å; I148-K152 WeakPolarHBondContact O-CB 3.1Å; I148-K152 PolarHBondContact O-N 2.8Å |
| 149 | V | 70.3 | Confident | 73.1 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67 | -44.1 | -178.7 | -168.7 | 0 | 0 | 0 | 0 | 112 | L117 I120 I146 S151 K152 Y153 L155 | L117-V149 HydrophobicContact CD1-CG2 3.38Å; I120-V149 HydrophobicContact CB-CG1 4.28Å; I120-V149 HydrophobicContact CD1-CG1 4.42Å; I120-V149 HydrophobicContact CG2-CG1 3.63Å; I146-V149 PolarHBondContact O-N 3.26Å; I146-V149 VanDerWaalsContact O-N 3.14Å; V149-S151 PolarHBondContact O-N 3.44Å; V149-K152 PolarHBondContact O-N 3.47Å; V149-Y153 HydrophobicContact CG1-CD2 3.69Å; V149-Y153 HydrophobicContact CG1-CE2 4.4Å; V149-Y153 WeakPolarHBondContact O-CB 3.46Å; V149-Y153 PolarHBondContact O-N 3.44Å; V149-L155 HydrophobicContact CB-CD1 4.43Å; V149-L155 HydrophobicContact CG1-CD1 3.45Å; V149-L155 VanDerWaalsContact CG1-CD1 3.45Å |
| 150 | D | 76.1 | Confident | 73.9 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.2 | -51.3 | 174.5 | -175.2 | -2.6 | 0 | 0 | 0 | 110.5 | K41 I146 K152 Y153 G154 L155 V157 | K41-D150 IonicContact NZ-OD1 3.51Å; K41-D150 PolarHBondContact NZ-OD1 2.92Å; K41-D150 IonicContact NZ-OD2 3.67Å; I146-D150 PolarHBondContact O-N 2.88Å; D150-K152 PolarHBondContact O-N 2.73Å; D150-K152 VanDerWaalsContact O-N 3.15Å; D150-Y153 PolarHBondContact O-N 2.62Å; D150-G154 WeakPolarHBondContact O-CA 3.18Å; D150-G154 PolarHBondContact O-N 2.99Å; D150-L155 PolarHBondContact OD1-N 3.5Å; D150-V157 HydrophobicContact CB-CG2 4.14Å |
| 151 | S | 76.6 | Confident | 74.5 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 72% | 0.72 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.3 | -32.1 | 179.9 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | T147 I148 V149 | T147-S151 WeakPolarHBondContact O-CB 3.28Å; T147-S151 PolarHBondContact O-N 2.94Å; T147-S151 PolarHBondContact O-OG 2.94Å; I148-S151 PolarHBondContact O-N 3.37Å; V149-S151 PolarHBondContact O-N 3.44Å |
| 152 | K | 77.6 | Confident | 75.1 | Confident | 122 Ų | 122 | 70.7 Ų | 70.7 | 53% | 0.53 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -91.6 | -32.9 | -176.6 | -176.6 | 175.1 | 172.3 | -172.7 | 0 | 114.2 | E121 I148 V149 D150 | E121-K152 IonicContact OE1-NZ 3.48Å; E121-K152 PolarHBondContact OE1-NZ 3.22Å; I148-K152 WeakPolarHBondContact O-CB 3.1Å; I148-K152 PolarHBondContact O-N 2.8Å; V149-K152 PolarHBondContact O-N 3.47Å; D150-K152 PolarHBondContact O-N 2.73Å; D150-K152 VanDerWaalsContact O-N 3.15Å |
| 153 | Y | 79.6 | Confident | 75.6 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -119 | -5.3 | -170.5 | -67.8 | -77.7 | 0 | 0 | 0 | 114.7 | E121 M124 V149 D150 | E121-Y153 HydrophobicContact CG-CE2 3.93Å; M124-Y153 HydrophobicContact CB-CD1 3.86Å; M124-Y153 HydrophobicContact CB-CE1 3.83Å; M124-Y153 HydrophobicContact CE-CD1 4.06Å; M124-Y153 HydrophobicContact CE-CG 4.48Å; M124-Y153 HydrophobicContact CG-CD1 3.7Å; M124-Y153 HydrophobicContact CG-CE1 4.07Å; M124-Y153 HydrophobicContact CG-CG 3.96Å; V149-Y153 HydrophobicContact CG1-CD2 3.69Å; V149-Y153 HydrophobicContact CG1-CE2 4.4Å; V149-Y153 WeakPolarHBondContact O-CB 3.46Å; V149-Y153 PolarHBondContact O-N 3.44Å; D150-Y153 PolarHBondContact O-N 2.62Å |
| 154 | G | 76.9 | Confident | 76.3 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | trans | 65.8 | 59.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | K41 D150 | K41-G154 VanDerWaalsContact CA-O 3.29Å; K41-G154 WeakPolarHBondContact CA-O 3.22Å; K41-G154 WeakPolarHBondContact CB-O 3.25Å; K41-G154 VanDerWaalsContact CE-C 3.44Å; K41-G154 VanDerWaalsContact CG-O 3.25Å; K41-G154 WeakPolarHBondContact CG-O 3.16Å; D150-G154 WeakPolarHBondContact O-CA 3.18Å; D150-G154 PolarHBondContact O-N 2.99Å | ||
| 155 | L | 79.7 | Confident | 76.7 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 170.9 | -178.6 | -57.9 | -174.9 | 0 | 0 | 0 | 111.4 | K41 I42 V44 I120 M124 I133 V149 D150 | K41-L155 WeakPolarHBondContact CD-O 3.33Å; K41-L155 VanDerWaalsContact CE-O 3.27Å; K41-L155 WeakPolarHBondContact CE-O 3.47Å; K41-L155 PolarHBondContact NZ-O 2.99Å; I42-L155 HydrophobicContact CB-CD2 3.93Å; I42-L155 CarbonylContact O-C 3.57Å; I42-L155 WeakPolarHBondContact O-CA 3.27Å; V44-L155 HydrophobicContact CG2-CB 3.78Å; V44-L155 HydrophobicContact CG2-CD1 3.56Å; V44-L155 HydrophobicContact CG2-CD2 4.48Å; V44-L155 HydrophobicContact CG2-CG 4.13Å; I120-L155 HydrophobicContact CG2-CD1 4.07Å; M124-L155 HydrophobicContact CE-CD2 4.47Å; M124-L155 HydrophobicContact SD-CD2 4.06Å; I133-L155 HydrophobicContact CD1-CD1 4.39Å; V149-L155 HydrophobicContact CB-CD1 4.43Å; V149-L155 HydrophobicContact CG1-CD1 3.45Å; V149-L155 VanDerWaalsContact CG1-CD1 3.45Å; D150-L155 PolarHBondContact OD1-N 3.5Å |
| 156 | K | 81.6 | Confident | 77.4 | Confident | 135 Ų | 135 | 73 Ų | 73 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 92 | 173.1 | -173.7 | 171.9 | -176.9 | 171.2 | 0 | 110.2 | K41 I42 V44 | K41-K156 HydrophobicContact CB-CB 4.23Å; I42-K156 PolarHBondContact O-N 2.82Å; V44-K156 PolarHBondContact N-O 2.84Å; V44-K156 VanDerWaalsContact O-O 3.1Å |
| 157 | V | 82.3 | Confident | 77.9 | Confident | 37 Ų | 37 | 77.7 Ų | 77.7 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 141.4 | -170 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | V44 I46 I146 D150 Y159 | V44-V157 HydrophobicContact CB-CG2 4.28Å; V44-V157 CarbonylContact O-C 3.44Å; V44-V157 WeakPolarHBondContact O-CA 3.3Å; I46-V157 HydrophobicContact CD1-CG1 3.62Å; I146-V157 HydrophobicContact CG2-CB 4.49Å; I146-V157 HydrophobicContact CG2-CG1 3.8Å; I146-V157 HydrophobicContact CG2-CG2 3.79Å; D150-V157 HydrophobicContact CB-CG2 4.14Å; V157-Y159 HydrophobicContact CG1-CD2 4.34Å; V157-Y159 HydrophobicContact CG1-CE2 3.75Å |
| 158 | K | 84.6 | Confident | 78.3 | Confident | 115 Ų | 115 | 77.2 Ų | 77.2 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 152 | 165.1 | -67.7 | -171.5 | 175.1 | -169.9 | 0 | 110.8 | V44 T45 I46 | V44-K158 PolarHBondContact O-N 3.29Å; T45-K158 WeakPolarHBondContact CA-O 3.43Å; I46-K158 PolarHBondContact N-O 3.18Å |
| 159 | Y | 81.1 | Confident | 78.7 | Confident | 100 Ų | 100 | 75.4 Ų | 75.4 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.1 | 172.4 | -65 | -103.7 | 0 | 0 | 0 | 108.4 | I46 P143 V157 | I46-Y159 HydrophobicContact CB-CD1 4.29Å; I46-Y159 HydrophobicContact CD1-CD1 3.6Å; I46-Y159 HydrophobicContact CD1-CD2 4.1Å; I46-Y159 HydrophobicContact CD1-CE1 3.25Å; I46-Y159 HydrophobicContact CD1-CE2 3.77Å; I46-Y159 HydrophobicContact CD1-CG 4.01Å; I46-Y159 HydrophobicContact CG2-CD1 4.48Å; P143-Y159 VanDerWaalsContact CA-OH 3.22Å; P143-Y159 WeakPolarHBondContact CA-OH 3.01Å; P143-Y159 HydrophobicContact CB-CE1 3.96Å; P143-Y159 WeakPolarHBondContact CB-OH 3.11Å; V157-Y159 HydrophobicContact CG1-CD2 4.34Å; V157-Y159 HydrophobicContact CG1-CE2 3.75Å |
| 160 | H | 78.1 | Confident | 79.5 | Confident | 151 Ų | 151 | 82.2 Ų | 82.2 | 70% | 0.699 | 40% | 0.404 | S | S | * | . | trans | -144.1 | 0 | -178.1 | -77.5 | -68.3 | 0 | 0 | 0 | 111.2 | T45 I46 I47 T48 | T45-H160 HydrophobicContact CG2-CB 4.37Å; I46-H160 PolarHBondContact O-N 3.4Å; I47-H160 CarbonylContact C-O 3.56Å; I47-H160 WeakPolarHBondContact CA-O 3.09Å; T48-H160 PolarHBondContact N-O 2.65Å |
Retrieved 160 of 160 residues in 74.4 ms
(Link to these results)