| 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 | 32.2 | Very low | 33.4 | Very low | 226 Ų | 226 | 144.3 Ų | 144.3 | 100% | 1.113 | 84% | 0.84 | S | S | * | * | 0 | 123.4 | 0 | -67.7 | 152.2 | 165.9 | 0 | 0 | 106.1 | |||||
| 2 | E | 33.8 | Very low | 33.6 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 72% | 0.72 | 84% | 0.843 | S | S | * | * | cis | -166.3 | 152.4 | -1 | -121 | 154.5 | 118.6 | 0 | 0 | 109.2 | ||||
| 3 | T | 36 | Very low | 33.5 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | trans | 29.3 | 152.2 | 144.9 | 57.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 4 | R | 34 | Very low | 33.5 | Very low | 228 Ų | 228 | 145.9 Ų | 145.9 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | cis | -176.4 | 150.8 | -7.3 | 164.9 | 174.1 | 177.2 | 145.8 | -1.9 | 109.1 | ||||
| 5 | A | 36 | Very low | 33.7 | Very low | 91 Ų | 91 | 146.3 Ų | 146.3 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | -8.4 | 145.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 6 | Q | 39.3 | Very low | 33.6 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 92% | 0.916 | 84% | 0.84 | S | S | * | * | trans | -121.6 | 168 | 160.7 | -76.8 | -170.4 | -1 | 0 | 0 | 112.6 | ||||
| 7 | N | 32 | Very low | 33.6 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | trans | -71.3 | 169.2 | -165.8 | -70.8 | -38 | 0 | 0 | 0 | 118.5 | ||||
| 8 | G | 29.3 | Very low | 33.6 | Very low | 71 Ų | 71 | 152.6 Ų | 152.6 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | trans | 132.7 | 95.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 9 | S | 30.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 156.9 Ų | 156.9 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | 85.9 | 128.5 | 72.3 | -169 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 10 | G | 29.7 | Very low | 33.5 | Very low | 59 Ų | 59 | 155.6 Ų | 155.6 | 61% | 0.608 | 83% | 0.833 | S | S | * | * | trans | 117.1 | 88.2 | 150 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 11 | S | 34 | Very low | 33.8 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | trans | 63.8 | 163.8 | 136.8 | 27.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 12 | Q | 36.8 | Very low | 33.7 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -105.1 | 163.1 | -161.3 | -51.5 | 174 | -4.7 | 0 | 0 | 114.9 | ||||
| 13 | S | 31.6 | Very low | 33.9 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | -178.2 | 134.7 | 126.8 | 45.1 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 14 | L | 33.8 | Very low | 34.4 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | 50.8 | 117.2 | 141.8 | -68.2 | 167.3 | 0 | 0 | 0 | 125.3 | ||||
| 15 | L | 35.9 | Very low | 34.3 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | 28.5 | 126.3 | 130.1 | -65.8 | 174.5 | 0 | 0 | 0 | 122.2 | ||||
| 16 | Q | 33 | Very low | 34 | Very low | 199 Ų | 199 | 143.6 Ų | 143.6 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | -156.1 | 129.2 | 125.7 | -137.4 | 162.6 | 1.9 | 0 | 0 | 113.6 | |||||
| 17 | V | 33.3 | Very low | 34.2 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 131.9 | 171 | 171.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 18 | R | 32.6 | Very low | 34.6 | Very low | 218 Ų | 218 | 138.7 Ų | 138.7 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 126.1 | -172.7 | -175.3 | 172.2 | 178.2 | 149.1 | -2.1 | 111.8 | ||
| 19 | R | 33.7 | Very low | 35 | Very low | 235 Ų | 235 | 141.5 Ų | 141.5 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 151.8 | 158.5 | -79.7 | -175.3 | 169.3 | 97.8 | -3.5 | 109.4 | ||
| 20 | D | 32 | Very low | 35.8 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -141.1 | 160.3 | 157.9 | -140.1 | -35.9 | 0 | 0 | 0 | 109.8 | ||||
| 21 | T | 39.7 | Very low | 36.3 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -137.1 | 136 | -154.7 | -16.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 22 | G | 31.2 | Very low | 36.8 | Very low | 81 Ų | 81 | 151.3 Ų | 151.3 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -179.2 | 118.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 23 | R | 36.8 | Very low | 37.2 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -139.5 | 174.5 | 162.6 | -126.4 | -149.1 | 171.9 | -166.7 | -2.2 | 105.2 | ||||
| 24 | P | 46.1 | Very low | 37.7 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -124.4 | -157.6 | 7.5 | 46.2 | -29.5 | 0 | 0 | 0 | 111.3 | ||||
| 25 | H | 33 | Very low | 37.9 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | cis | -145.8 | 166.9 | -4.9 | -150.1 | -82.9 | 0 | 0 | 0 | 109.7 | ||||
| 26 | G | 30.2 | Very low | 38.1 | Very low | 49 Ų | 49 | 149.4 Ų | 149.4 | 51% | 0.505 | 77% | 0.771 | S | S | . | * | trans | -174.8 | 127.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 27 | E | 43.6 | Very low | 38.5 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | -56.4 | 149.8 | 179.8 | -99.4 | -70.7 | 107.2 | 0 | 0 | 113 | D29 | E27-D29 PolarHBondContact OE2-N 2.81Š| ||
| 28 | P | 38.7 | Very low | 39.1 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | -147.4 | 140.8 | 100.4 | 37 | -20.7 | 0 | 0 | 0 | 117.1 | |||||
| 29 | D | 39.7 | Very low | 39.9 | Very low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | -75.4 | 155.9 | 169.2 | -168.7 | 24.2 | 0 | 0 | 0 | 114.9 | E27 | E27-D29 PolarHBondContact OE2-N 2.81Š| ||
| 30 | L | 47.4 | Very low | 41 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | 47.2 | 74.2 | 152.6 | -155.4 | 73.4 | 0 | 0 | 0 | 120.4 | ||||
| 31 | R | 39.9 | Very low | 42.5 | Very low | 237 Ų | 237 | 135.9 Ų | 135.9 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | trans | -151.6 | 34.6 | 147.8 | -91.7 | -130.2 | 145.8 | -145.5 | -11.1 | 115.9 | ||||
| 32 | D | 43.5 | Very low | 43.8 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | -61.1 | 165.4 | 154.7 | -104.1 | -53.7 | 0 | 0 | 0 | 111.1 | ||||
| 33 | V | 46 | Very low | 45.1 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 83.9 | 25.1 | 176.3 | -157.8 | 0 | 0 | 0 | 0 | 117 | ||
| 34 | L | 40.7 | Very low | 46.1 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | trans | -154.8 | 35.6 | 156.9 | -118.4 | 153.9 | 0 | 0 | 0 | 116.9 | Q36 | L34-Q36 HydrophobicContact CD2-CB 4.36Å; L34-Q36 PolarHBondContact O-N 3.46Å | ||
| 35 | T | 38.2 | Very low | 46.8 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 68% | 0.684 | S | S | * | * | trans | -69.5 | 84.7 | 160.2 | 0.7 | 0 | 0 | 0 | 0 | 109 | Q37 | T35-Q37 PolarHBondContact O-N 3.14Š| ||
| 36 | Q | 40.7 | Very low | 48.2 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | trans | -69.8 | 83.3 | -180 | -170.1 | 165.6 | 5.1 | 0 | 0 | 111.1 | L34 V38 | L34-Q36 HydrophobicContact CD2-CB 4.36Å; L34-Q36 PolarHBondContact O-N 3.46Å; Q36-V38 PolarHBondContact O-N 2.95Å | ||
| 37 | Q | 41.2 | Very low | 49.6 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | 0 | 84 | 156.2 | -162.3 | 172.6 | 69.9 | 0 | 0 | 115.2 | T35 H39 | T35-Q37 PolarHBondContact O-N 3.14Å; Q37-H39 PolarHBondContact O-N 3.45Å | ||
| 38 | V | 45.3 | Very low | 50.4 | Low | 127 Ų | 127 | 127 Ų | 127 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | trans | -70.6 | 99.4 | 165.9 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | Q36 V40 | Q36-V38 PolarHBondContact O-N 2.95Å; V38-V40 HydrophobicContact CG1-CG2 4.35Å; V38-V40 PolarHBondContact O-N 3.4Å | ||
| 39 | H | 50.8 | Low | 51.3 | Low | 146 Ų | 146 | 126.4 Ų | 126.4 | 68% | 0.676 | 66% | 0.655 | S | S | * | * | trans | -75 | 90.9 | -176.6 | -160.6 | 89.6 | 0 | 0 | 0 | 110 | Q37 L41 | Q37-H39 PolarHBondContact O-N 3.45Å; H39-L41 PolarHBondContact O-N 3.12Å | ||
| 40 | V | 56.1 | Low | 52.3 | Low | 124 Ų | 124 | 130.2 Ų | 130.2 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | trans | -73.6 | 106.7 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | V38 | V38-V40 HydrophobicContact CG1-CG2 4.35Å; V38-V40 PolarHBondContact O-N 3.4Å | ||
| 41 | L | 63.1 | Low | 52.6 | Low | 71 Ų | 71 | 130 Ų | 130 | 37% | 0.372 | 66% | 0.66 | S | S | . | * | trans | -65.7 | 142.2 | 173.9 | -57.3 | 175.8 | 0 | 0 | 0 | 110.4 | H39 | H39-L41 PolarHBondContact O-N 3.12Š| ||
| 42 | S | 67.9 | Low | 53.2 | Low | 69 Ų | 69 | 123.8 Ų | 123.8 | 48% | 0.483 | 65% | 0.648 | S | S | . | * | trans | -71.3 | 156.9 | -176.6 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | D44 Q45 I46 | S42-D44 PolarHBondContact O-N 3.17Å; S42-D44 VanDerWaalsContact O-N 3.14Å; S42-Q45 WeakPolarHBondContact O-CB 3.28Å; S42-Q45 PolarHBondContact O-N 3.15Å; S42-I46 PolarHBondContact O-N 3.25Å | ||
| 43 | L | 58.5 | Low | 53.7 | Low | 122 Ų | 122 | 123.3 Ų | 123.3 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -56.7 | -32.1 | -176.1 | -105 | 167.4 | 0 | 0 | 0 | 113.7 | I46 R47 | L43-I46 PolarHBondContact O-N 3.49Å; L43-R47 PolarHBondContact O-N 3.03Å; L43-R47 VanDerWaalsContact O-N 3.17Å |
| 44 | D | 58.2 | Low | 54 | Low | 104 Ų | 104 | 124.4 Ų | 124.4 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.2 | -31.9 | 178.6 | -61.2 | -52.7 | 0 | 0 | 0 | 112.5 | S42 I46 R47 A48 | S42-D44 PolarHBondContact O-N 3.17Å; S42-D44 VanDerWaalsContact O-N 3.14Å; D44-I46 VanDerWaalsContact C-N 3.34Å; D44-R47 PolarHBondContact O-N 3.11Å; D44-R47 IonicContact OD1-CZ 2.68Å; D44-R47 IonicContact OD1-NH1 3.91Å; D44-R47 PolarHBondContact OD1-NH1 2.99Å; D44-A48 PolarHBondContact O-N 3.49Å |
| 45 | Q | 61.2 | Low | 54.3 | Low | 94 Ų | 94 | 128.3 Ų | 128.3 | 44% | 0.439 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69 | -34.3 | 173.9 | -164.8 | 169 | -0.9 | 0 | 0 | 111.5 | S42 A48 I49 | S42-Q45 WeakPolarHBondContact O-CB 3.28Å; S42-Q45 PolarHBondContact O-N 3.15Å; Q45-A48 PolarHBondContact O-N 3.11Å; Q45-I49 HydrophobicContact CG-CD1 4.47Å; Q45-I49 WeakPolarHBondContact O-CD1 3.03Å; Q45-I49 WeakPolarHBondContact O-CG1 3.17Å; Q45-I49 PolarHBondContact O-N 2.94Å |
| 46 | I | 61.5 | Low | 55 | Low | 82 Ų | 82 | 128.5 Ų | 128.5 | 42% | 0.421 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -68.6 | -35.4 | 174.1 | -59.5 | 171.3 | 0 | 0 | 0 | 111.2 | S42 L43 D44 R50 | S42-I46 PolarHBondContact O-N 3.25Å; L43-I46 PolarHBondContact O-N 3.49Å; D44-I46 VanDerWaalsContact C-N 3.34Å; I46-R50 PolarHBondContact O-N 3.42Å |
| 47 | R | 60 | Low | 55.4 | Low | 156 Ų | 156 | 127.6 Ų | 127.6 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.3 | -40.8 | 173.3 | -70 | -175.7 | -165.3 | 136.8 | -2 | 112.3 | L43 D44 I49 R50 N51 | L43-R47 PolarHBondContact O-N 3.03Å; L43-R47 VanDerWaalsContact O-N 3.17Å; D44-R47 PolarHBondContact O-N 3.11Å; D44-R47 IonicContact OD1-CZ 2.68Å; D44-R47 IonicContact OD1-NH1 3.91Å; D44-R47 PolarHBondContact OD1-NH1 2.99Å; R47-I49 VanDerWaalsContact C-N 3.34Å; R47-I49 PolarHBondContact O-N 3.41Å; R47-R50 PolarHBondContact O-N 2.96Å; R47-N51 WeakPolarHBondContact O-CB 3.36Å; R47-N51 PolarHBondContact O-N 2.92Å; R47-N51 VanDerWaalsContact O-N 3.13Å |
| 48 | A | 59.3 | Low | 56.2 | Low | 60 Ų | 60 | 122.5 Ų | 122.5 | 50% | 0.496 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -58.6 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D44 Q45 R50 N51 | D44-A48 PolarHBondContact O-N 3.49Å; Q45-A48 PolarHBondContact O-N 3.11Å; A48-R50 PolarHBondContact O-N 2.96Å; A48-N51 PolarHBondContact O-N 2.04Å |
| 49 | I | 59.1 | Low | 55.9 | Low | 107 Ų | 107 | 122.7 Ų | 122.7 | 55% | 0.549 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.8 | -31.7 | -178.9 | -63.7 | 164 | 0 | 0 | 0 | 112.6 | Q45 R47 T52 | Q45-I49 HydrophobicContact CG-CD1 4.47Å; Q45-I49 WeakPolarHBondContact O-CD1 3.03Å; Q45-I49 WeakPolarHBondContact O-CG1 3.17Å; Q45-I49 PolarHBondContact O-N 2.94Å; R47-I49 VanDerWaalsContact C-N 3.34Å; R47-I49 PolarHBondContact O-N 3.41Å; I49-T52 PolarHBondContact O-OG1 3.31Å |
| 50 | R | 59.1 | Low | 55.5 | Low | 209 Ų | 209 | 121.7 Ų | 121.7 | 79% | 0.789 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -83.2 | -9.5 | 174.5 | -74.7 | -172.2 | 77.5 | 174.1 | 4.4 | 114.5 | I46 R47 A48 | I46-R50 PolarHBondContact O-N 3.42Å; R47-R50 PolarHBondContact O-N 2.96Å; A48-R50 PolarHBondContact O-N 2.96Å |
| 51 | N | 54.1 | Low | 54.9 | Low | 142 Ų | 142 | 122.3 Ų | 122.3 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -93.8 | -12.1 | 178.9 | -160.8 | 34.4 | 0 | 0 | 0 | 113.1 | R47 A48 N53 | R47-N51 WeakPolarHBondContact O-CB 3.36Å; R47-N51 PolarHBondContact O-N 2.92Å; R47-N51 VanDerWaalsContact O-N 3.13Å; A48-N51 PolarHBondContact O-N 2.04Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 2.95Å |
| 52 | T | 53.3 | Low | 54 | Low | 106 Ų | 106 | 122.8 Ų | 122.8 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | trans | -89.5 | 63.1 | 171.6 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | I49 E54 | I49-T52 PolarHBondContact O-OG1 3.31Å; T52-E54 PolarHBondContact O-N 2.83Å; T52-E54 VanDerWaalsContact O-N 3.12Å | ||
| 53 | N | 53 | Low | 52.5 | Low | 138 Ų | 138 | 125.5 Ų | 125.5 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | -80.7 | 74.4 | 163.2 | -89.4 | -14.8 | 0 | 0 | 0 | 109.1 | N51 Y55 | N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 2.95Å; N53-Y55 PolarHBondContact O-N 2.89Å | ||
| 54 | E | 53.7 | Low | 51.5 | Low | 157 Ų | 157 | 131.1 Ų | 131.1 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | trans | -77 | 75.4 | 171.2 | -164.4 | 141.8 | 101.8 | 0 | 0 | 109.1 | T52 | T52-E54 PolarHBondContact O-N 2.83Å; T52-E54 VanDerWaalsContact O-N 3.12Å | ||
| 55 | Y | 46.4 | Very low | 50.2 | Low | 216 Ų | 216 | 132.5 Ų | 132.5 | 85% | 0.847 | 71% | 0.707 | S | S | * | * | trans | -122.3 | 50.4 | -179.8 | -105.4 | -84.9 | 0 | 0 | 0 | 111.3 | N53 | N53-Y55 PolarHBondContact O-N 2.89Š| ||
| 56 | T | 51.6 | Low | 49 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | -140.3 | 56 | 169 | 40.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 57 | E | 50.2 | Low | 47.7 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | -122.9 | 86.3 | 165.5 | 48 | -167.6 | 162.5 | 0 | 0 | 110.4 | ||||
| 58 | G | 57 | Low | 46.7 | Very low | 58 Ų | 58 | 136.5 Ų | 136.5 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | trans | -65.5 | 160.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T60 | G58-T60 PolarHBondContact O-N 2.87Š| ||
| 59 | P | 40.1 | Very low | 45.3 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -57.3 | 114.6 | -166.9 | 21.9 | -33.6 | 0 | 0 | 0 | 112.8 | V61 | P59-V61 PolarHBondContact O-N 2.88Š| ||
| 60 | T | 42.3 | Very low | 44.2 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -62 | 112 | -176 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | G58 | G58-T60 PolarHBondContact O-N 2.87Š| ||
| 61 | V | 43.1 | Very low | 43.4 | Very low | 136 Ų | 136 | 136 Ų | 136 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 132.9 | 162.4 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | P59 | P59-V61 PolarHBondContact O-N 2.88Š|
| 62 | A | 44.6 | Very low | 42.2 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 152.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 63 | P | 36.3 | Very low | 41.3 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 149.4 | -178.4 | -14.8 | 29.7 | 0 | 0 | 0 | 113.3 | ||
| 64 | R | 36.5 | Very low | 40.5 | Very low | 240 Ų | 240 | 139.5 Ų | 139.5 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -119.1 | 148.2 | 156.9 | -73.6 | -166.7 | 177.4 | -166.1 | 0.9 | 110.6 | ||||
| 65 | P | 32.9 | Very low | 39.5 | Very low | 132 Ų | 132 | 139 Ų | 139 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -90.9 | 132.6 | -162.1 | -5.2 | 25.3 | 0 | 0 | 0 | 113.9 | ||||
| 66 | G | 34.7 | Very low | 39.1 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 81.1 | 121 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 67 | V | 34.9 | Very low | 38.2 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | -150.9 | 148 | 111.3 | 174.5 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 68 | K | 37.7 | Very low | 37.2 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -109.7 | 146.9 | -179.4 | -54.4 | 169.8 | -176.9 | 174.9 | 0 | 110.8 | ||||
| 69 | S | 30.8 | Very low | 35.9 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | 170.1 | 98.8 | 145 | -79.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 70 | T | 36.9 | Very low | 35.5 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | 84.7 | 139.3 | 101 | 51.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 71 | P | 41.1 | Very low | 35 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -102.8 | 160.1 | -169.1 | 39.4 | -35.4 | 0 | 0 | 0 | 114.7 | ||||
| 72 | R | 30.1 | Very low | 34.8 | Very low | 237 Ų | 237 | 148.5 Ų | 148.5 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -153 | 113.3 | 162.7 | -140.5 | 177.3 | -165 | -154.9 | 2.8 | 116.3 | ||||
| 73 | V | 33 | Very low | 34.3 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | 34.8 | 134.2 | 135.2 | -169.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 74 | A | 37.5 | Very low | 33.9 | Very low | 91 Ų | 91 | 150.9 Ų | 150.9 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -76.7 | 154.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 75 | T | 32 | Very low | 33.7 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -153.4 | 145.8 | 157 | 9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 76 | Q | 37.4 | Very low | 34.2 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -77.6 | 156.8 | 173 | -61.7 | 179.5 | -7 | 0 | 0 | 111.9 | ||||
| 77 | H | 32.3 | Very low | 33.9 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -173.3 | 112.4 | 135.8 | -114.8 | -118.5 | 0 | 0 | 0 | 107.8 | ||||
| 78 | K | 28.9 | Very low | 33.7 | Very low | 179 Ų | 179 | 150 Ų | 150 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | 67.1 | 99.3 | 89.8 | -170.4 | -173.4 | 176.3 | -175.1 | 0 | 114.6 | |||||
| 79 | N | 30.6 | Very low | 33.5 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -176.2 | 155.2 | 151.2 | -114.1 | 24.7 | 0 | 0 | 0 | 108.1 | ||||
| 80 | E | 32.7 | Very low | 33.4 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | cis | -159.2 | 148.9 | -23.9 | -131.3 | 175.5 | 158.5 | 0 | 0 | 106.4 | ||||
| 81 | R | 30.6 | Very low | 33.2 | Very low | 190 Ų | 190 | 156 Ų | 156 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | -142.1 | 116.9 | -178.5 | -177 | 179.7 | -176.8 | 162.5 | 5.4 | 110.8 | H83 | R81-H83 PolarHBondContact NE-NE2 3.12Å; R81-H83 PolarHBondContact NH2-NE2 2.69Å | ||
| 82 | P | 38.7 | Very low | 32.7 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -89.2 | 130.1 | 174.1 | 33.3 | -30.2 | 0 | 0 | 0 | 110.9 | ||||
| 83 | H | 33.6 | Very low | 32.7 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -134.4 | 129.8 | 160.4 | -82.3 | -32.3 | 0 | 0 | 0 | 107.6 | R81 | R81-H83 PolarHBondContact NE-NE2 3.12Å; R81-H83 PolarHBondContact NH2-NE2 2.69Å | ||
| 84 | G | 28 | Very low | 32.8 | Very low | 75 Ų | 75 | 156 Ų | 156 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -90.9 | 176.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 85 | L | 32.8 | Very low | 32.5 | Very low | 178 Ų | 178 | 160.5 Ų | 160.5 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -139.3 | 160.1 | 166.5 | -127 | 96.1 | 0 | 0 | 0 | 109.4 | ||||
| 86 | P | 42.7 | Very low | 32.4 | Very low | 96 Ų | 96 | 161.3 Ų | 161.3 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | trans | -111.1 | -163.5 | -156.1 | 44.3 | -40.1 | 0 | 0 | 0 | 115.9 | ||||
| 87 | E | 29.7 | Very low | 32.1 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | 79.2 | 143.9 | 168.2 | -66 | 167.8 | 101.3 | 0 | 0 | 115.6 | ||||
| 88 | H | 31.5 | Very low | 32.1 | Very low | 138 Ų | 138 | 157.4 Ų | 157.4 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | cis | -157.5 | 157.2 | 20.9 | -147.9 | -41 | 0 | 0 | 0 | 112.9 | ||||
| 89 | R | 32.6 | Very low | 32.2 | Very low | 206 Ų | 206 | 156.9 Ų | 156.9 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | 92.3 | 101.4 | 143 | -108.7 | 163.4 | -166 | -178.5 | 5.4 | 122.5 | ||||
| 90 | H | 28.4 | Very low | 32.3 | Very low | 153 Ų | 153 | 158.5 Ų | 158.5 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | 44.9 | 125 | 127.3 | -70.2 | -93.2 | 0 | 0 | 0 | 122.2 | |||||
| 91 | F | 32.2 | Very low | 32.4 | Very low | 203 Ų | 203 | 156.4 Ų | 156.4 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | -160.6 | 139.3 | 103.4 | -111.2 | -76.7 | 0 | 0 | 0 | 111.6 | |||||
| 92 | S | 31.1 | Very low | 32.5 | Very low | 110 Ų | 110 | 152.7 Ų | 152.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -129.8 | 135.5 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 93 | R | 30.8 | Very low | 33 | Very low | 232 Ų | 232 | 152 Ų | 152 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -156.1 | 86.9 | 165.1 | -169.9 | 166.7 | -75 | -163.7 | -3.1 | 114.7 | ||||
| 94 | I | 35.1 | Very low | 33.1 | Very low | 151 Ų | 151 | 154.9 Ų | 154.9 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | 18.6 | 124.1 | 131.3 | -49.9 | 169.2 | 0 | 0 | 0 | 119.9 | ||||
| 95 | Q | 30.5 | Very low | 33.6 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | 165.6 | 124.5 | 121.3 | -114.6 | 160 | 7.1 | 0 | 0 | 107.9 | |||||
| 96 | H | 30.1 | Very low | 34.2 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | cis | 107 | 149.7 | 43.9 | -167.5 | -91.1 | 0 | 0 | 0 | 112.2 | ||||
| 97 | T | 31.5 | Very low | 34 | Very low | 108 Ų | 108 | 155.5 Ų | 155.5 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | 70.3 | 143.9 | 176 | 15.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 98 | Q | 31.2 | Very low | 34.1 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | cis | -153.7 | 167.3 | 3.5 | -160.7 | 168.1 | 0.1 | 0 | 0 | 112.2 | ||||
| 99 | M | 32 | Very low | 34.2 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | trans | -64.6 | 160.3 | 173.8 | -58.4 | 169.4 | 82.3 | 0 | 0 | 113.8 | ||||
| 100 | H | 33 | Very low | 34.2 | Very low | 166 Ų | 166 | 154 Ų | 154 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -165.8 | 111.5 | 134.6 | -97.2 | -64.8 | 0 | 0 | 0 | 114.1 | ||||
| 101 | T | 33.2 | Very low | 34.6 | Very low | 125 Ų | 125 | 153.8 Ų | 153.8 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | trans | 46.8 | 121 | 131.3 | 53.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 102 | S | 34.3 | Very low | 34.6 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -60.7 | 169.7 | 152.2 | -145.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 103 | P | 49.2 | Very low | 34.8 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | cis | -157.5 | -175.3 | 36.9 | 45.2 | -22.1 | 0 | 0 | 0 | 121.7 | ||||
| 104 | R | 36 | Very low | 34.9 | Very low | 242 Ų | 242 | 145.1 Ų | 145.1 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | 90.1 | 139.7 | 152.8 | -86.1 | -179.9 | 175.8 | 142 | -0 | 121.9 | ||||
| 105 | A | 37.1 | Very low | 34.6 | Very low | 92 Ų | 92 | 144 Ų | 144 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -104.1 | 179.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 106 | P | 45.4 | Very low | 34.9 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | -154.2 | 164.2 | 71.8 | 40.5 | -19.6 | 0 | 0 | 0 | 119.1 | |||||
| 107 | L | 39.1 | Very low | 35 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 26.7 | 136 | 143.8 | -63.8 | 167.7 | 0 | 0 | 0 | 123.2 | ||||
| 108 | S | 31.8 | Very low | 35.2 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -152.8 | 148 | 132 | -84.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 109 | R | 34.4 | Very low | 35.5 | Very low | 222 Ų | 222 | 142.6 Ų | 142.6 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -92.1 | 159.5 | 176.2 | -64.5 | 176.9 | 176.2 | 90.6 | -1.2 | 110.6 | ||||
| 110 | S | 32.6 | Very low | 35.6 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -146.4 | 140.8 | 143.4 | -87.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 111 | I | 36 | Very low | 35.6 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -118.8 | 138.5 | 172.5 | -67.8 | 167.4 | 0 | 0 | 0 | 106.2 | ||||
| 112 | S | 32.4 | Very low | 35.6 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -150.8 | 127.3 | 162 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 113 | T | 34.5 | Very low | 35.8 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 71% | 0.712 | 82% | 0.823 | S | S | * | * | trans | -106.8 | 172.6 | 179 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 114 | V | 33.4 | Very low | 35.2 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | trans | 60.6 | 125.7 | 165 | -61 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 115 | S | 29.7 | Very low | 35.1 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -161.2 | 104.8 | 136.3 | -82.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 116 | T | 35.8 | Very low | 35.2 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 91% | 0.914 | 83% | 0.829 | S | S | * | * | trans | -86.8 | 135.3 | 168.3 | -35.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 117 | G | 32.2 | Very low | 34.6 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -172.4 | 64.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 118 | S | 35 | Very low | 34.4 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -79 | 118.8 | 169.1 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 119 | R | 39.3 | Very low | 34.4 | Very low | 251 Ų | 251 | 141 Ų | 141 | 95% | 0.947 | 83% | 0.831 | S | S | * | * | trans | -145.3 | 122.7 | 156.9 | -63.4 | -167.4 | 84.6 | 163.3 | 4 | 111.7 | ||||
| 120 | S | 32.4 | Very low | 34.4 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -81.9 | 148.6 | 171.8 | -37.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 121 | S | 33.6 | Very low | 34.6 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 177.5 | 104.7 | 139.7 | -98.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 122 | T | 32.9 | Very low | 34.8 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 82% | 0.824 | S | S | * | * | trans | 19.3 | 157.4 | 133.6 | 50.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 123 | R | 38.8 | Very low | 35.2 | Very low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | 92.2 | 141.1 | 167.4 | -51 | 177.4 | 75.5 | -177.8 | 2.7 | 113.7 | ||||
| 124 | T | 36 | Very low | 35.5 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | cis | -136 | 168.6 | 15.9 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 125 | S | 34.5 | Very low | 35.6 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | trans | -118.9 | 152.6 | -178.4 | 44.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 126 | T | 38.4 | Very low | 36 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 87% | 0.871 | 84% | 0.844 | S | S | * | * | trans | -161.5 | 141.4 | 165 | 39.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 127 | S | 34.3 | Very low | 35.7 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | cis | -161.8 | 150.1 | -4.2 | 44.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 128 | S | 35.3 | Very low | 36 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | trans | -89 | 162.3 | -170.9 | -47.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 129 | N | 31.5 | Very low | 36 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | trans | -155.7 | 126.6 | 143.6 | -128.2 | 1.7 | 0 | 0 | 0 | 112.5 | ||||
| 130 | S | 34.6 | Very low | 35.8 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | 54.2 | 138.4 | 135.2 | -146.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 131 | S | 35.6 | Very low | 35.8 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | cis | -152.6 | 168 | 13.2 | -157.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 132 | E | 40.7 | Very low | 36.3 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -116.1 | 136.5 | -178.3 | 2.4 | 174.1 | 92.8 | 0 | 0 | 111.1 | ||||
| 133 | Q | 40.2 | Very low | 36.4 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -138.7 | 137.7 | 155.6 | -75.6 | -159.6 | -21.5 | 0 | 0 | 111.9 | ||||
| 134 | R | 41.3 | Very low | 36.7 | Very low | 235 Ų | 235 | 134.2 Ų | 134.2 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -74.5 | 160.5 | -173.8 | -64.6 | 164.8 | 139.2 | 153.8 | -6.5 | 112.1 | ||||
| 135 | L | 35.7 | Very low | 37 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | -166.7 | 167.8 | 109.6 | -98.3 | 166.1 | 0 | 0 | 0 | 111.8 | |||||
| 136 | L | 38.9 | Very low | 37.6 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -90.9 | 154.5 | -159 | -62 | 161.4 | 0 | 0 | 0 | 113.7 | ||||
| 137 | G | 28.1 | Very low | 37.8 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 166.9 | 99.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 138 | S | 39.4 | Very low | 38.3 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -122.6 | 116.6 | 170.2 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 139 | S | 35.5 | Very low | 38.8 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -171.3 | 144.9 | 147.1 | -135 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 140 | S | 35.2 | Very low | 39.6 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | 41.4 | 120 | 153.3 | 55.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 141 | G | 30.9 | Very low | 40 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -77.8 | -146.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 142 | P | 44.4 | Very low | 40.3 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | cis | -122.7 | -154.9 | 6.7 | 38.6 | -19.5 | 0 | 0 | 0 | 112.8 | ||||
| 143 | V | 34.5 | Very low | 40.1 | Very low | 134 Ų | 134 | 141 Ų | 141 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | 91.9 | 111.4 | 169.5 | -168.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 144 | A | 46.2 | Very low | 40 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | 10.1 | 123.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 145 | D | 42.9 | Very low | 39.7 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -131.9 | 137.9 | 130.2 | -167 | 15.4 | 0 | 0 | 0 | 110.5 | ||||
| 146 | G | 45.2 | Very low | 39.9 | Very low | 54 Ų | 54 | 129 Ų | 129 | 56% | 0.557 | 76% | 0.762 | S | S | * | * | trans | -107.4 | 95.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I148 | G146-I148 PolarHBondContact O-N 3.24Š| ||
| 147 | I | 42.9 | Very low | 39.4 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -57 | 115.5 | 169.8 | -68.5 | 172.1 | 0 | 0 | 0 | 108.7 | R149 | I147-R149 VanDerWaalsContact C-N 3.29Å; I147-R149 PolarHBondContact O-N 3.11Å | ||
| 148 | I | 45.5 | Very low | 39.7 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -69.1 | 84.5 | -174.4 | -56.7 | 175.2 | 0 | 0 | 0 | 109.8 | G146 | G146-I148 PolarHBondContact O-N 3.24Š| ||
| 149 | R | 45.2 | Very low | 39.3 | Very low | 199 Ų | 199 | 128.4 Ų | 128.4 | 75% | 0.751 | 74% | 0.736 | S | S | * | * | trans | -80.5 | 115.4 | 161.9 | -171.6 | 178.6 | -179.5 | 122.5 | -0.7 | 107.4 | I147 Q151 | I147-R149 VanDerWaalsContact C-N 3.29Å; I147-R149 PolarHBondContact O-N 3.11Å; R149-Q151 HydrophobicContact CB-CG 4.46Å; R149-Q151 HydrophobicContact CG-CG 3.91Å; R149-Q151 PolarHBondContact O-N 2.81Å | ||
| 150 | M | 48 | Very low | 39.4 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -65.4 | 71.5 | 169.8 | -67.8 | -75.7 | -81.5 | 0 | 0 | 110.3 | ||||
| 151 | Q | 44.1 | Very low | 40 | Very low | 138 Ų | 138 | 133 Ų | 133 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | trans | -80.1 | 127.3 | 166.6 | -68.7 | -168.7 | -4.5 | 0 | 0 | 108.2 | R149 K153 | R149-Q151 HydrophobicContact CB-CG 4.46Å; R149-Q151 HydrophobicContact CG-CG 3.91Å; R149-Q151 PolarHBondContact O-N 2.81Å; Q151-K153 PolarHBondContact O-N 3.5Å | ||
| 152 | P | 42.1 | Very low | 40 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | trans | -62.9 | 110.9 | 162.9 | 26.8 | -31.2 | 0 | 0 | 0 | 107.4 | S154 | P152-S154 PolarHBondContact O-N 3.11Š| ||
| 153 | K | 35.1 | Very low | 39.7 | Very low | 172 Ų | 172 | 138 Ų | 138 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -69.3 | 84.6 | -179.6 | -171.2 | 171.9 | 178.7 | -175.8 | 0 | 109.5 | Q151 E155 | Q151-K153 PolarHBondContact O-N 3.5Å; K153-E155 VanDerWaalsContact CE-OE1 3.24Å; K153-E155 WeakPolarHBondContact CE-OE1 3.11Å; K153-E155 IonicContact NZ-OE1 2.76Å; K153-E155 PolarHBondContact O-N 3.46Å | ||
| 154 | S | 39 | Very low | 40.3 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 55% | 0.552 | 72% | 0.724 | S | S | * | * | trans | -66.2 | 102.4 | 164.2 | 59.4 | 0 | 0 | 0 | 0 | 107.8 | P152 L156 | P152-S154 PolarHBondContact O-N 3.11Å; S154-L156 PolarHBondContact O-N 3.38Å | ||
| 155 | E | 35.2 | Very low | 39.8 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | trans | -66.3 | 75.4 | 161.8 | -71.3 | -97.1 | 137.2 | 0 | 0 | 107.1 | K153 K157 | K153-E155 VanDerWaalsContact CE-OE1 3.24Å; K153-E155 WeakPolarHBondContact CE-OE1 3.11Å; K153-E155 IonicContact NZ-OE1 2.76Å; K153-E155 PolarHBondContact O-N 3.46Å; E155-K157 PolarHBondContact O-N 2.83Å | ||
| 156 | L | 39.7 | Very low | 39.9 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 63% | 0.628 | 71% | 0.71 | S | S | * | * | trans | -73.6 | 75 | 176.2 | -146.5 | 175.9 | 0 | 0 | 0 | 106.6 | S154 S158 | S154-L156 PolarHBondContact O-N 3.38Å; L156-S158 PolarHBondContact O-N 2.9Å | ||
| 157 | K | 27.9 | Very low | 39.9 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -63.6 | 91.1 | 161.7 | -170.6 | 167.4 | -172.4 | 168 | 0 | 106.2 | E155 S159 | E155-K157 PolarHBondContact O-N 2.83Å; K157-S159 PolarHBondContact O-N 3.38Å | ||
| 158 | S | 34.4 | Very low | 40.2 | Very low | 76 Ų | 76 | 137 Ų | 137 | 53% | 0.531 | 69% | 0.694 | S | S | . | * | trans | -49.1 | 101.6 | 154.5 | -175.8 | 0 | 0 | 0 | 0 | 105.6 | L156 E160 | L156-S158 PolarHBondContact O-N 2.9Å; S158-E160 PolarHBondContact O-N 3.42Å; S158-E160 PolarHBondContact OG-N 3.29Å | ||
| 159 | S | 31.3 | Very low | 40.5 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | trans | -77.9 | 59.5 | 161 | -166.1 | 0 | 0 | 0 | 0 | 107.3 | K157 | K157-S159 PolarHBondContact O-N 3.38Š| ||
| 160 | E | 37.8 | Very low | 41 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | -46 | 137.6 | 155 | -161.9 | 162.2 | 127.4 | 0 | 0 | 107.6 | S158 K162 | S158-E160 PolarHBondContact O-N 3.42Å; S158-E160 PolarHBondContact OG-N 3.29Å; E160-K162 PolarHBondContact O-N 3.21Å | ||
| 161 | L | 47.3 | Very low | 41.6 | Very low | 165 Ų | 165 | 120.9 Ų | 120.9 | 86% | 0.864 | 64% | 0.643 | S | S | * | * | trans | -49.3 | 97.9 | -164.6 | -67.8 | 154.3 | 0 | 0 | 0 | 111.2 | P163 | L161-P163 WeakPolarHBondContact O-CD 3.43Š| ||
| 162 | K | 30.6 | Very low | 42.9 | Very low | 185 Ų | 185 | 118.2 Ų | 118.2 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | trans | -64.4 | 126.7 | 175.8 | -166.8 | 177.1 | -175.7 | -172.7 | 0 | 107.2 | E160 L164 | E160-K162 PolarHBondContact O-N 3.21Å; K162-L164 PolarHBondContact O-N 3.09Å | ||
| 163 | P | 39.7 | Very low | 44.6 | Very low | 120 Ų | 120 | 114.6 Ų | 114.6 | 78% | 0.779 | 61% | 0.607 | S | S | * | * | trans | -63.1 | 105.6 | -179.5 | -22.7 | 33.6 | 0 | 0 | 0 | 110.7 | L161 S165 | L161-P163 WeakPolarHBondContact O-CD 3.43Å; P163-S165 PolarHBondContact O-N 3.38Å; P163-S165 VanDerWaalsContact O-N 3.16Å | ||
| 164 | L | 45.4 | Very low | 46.6 | Very low | 102 Ų | 102 | 112.3 Ų | 112.3 | 53% | 0.534 | 59% | 0.594 | S | S | . | * | trans | 17.4 | 84.8 | 148.4 | -164.4 | 68.7 | 0 | 0 | 0 | 115.5 | K162 L169 | K162-L164 PolarHBondContact O-N 3.09Å; L164-L169 HydrophobicContact CD1-CD2 4.22Å; L164-L169 HydrophobicContact CD1-CG 4.08Å; L164-L169 HydrophobicContact CD2-CD1 4.06Å; L164-L169 HydrophobicContact CD2-CD2 3.8Å; L164-L169 HydrophobicContact CD2-CG 3.87Å; L164-L169 HydrophobicContact CG-CD1 4.5Å; L164-L169 HydrophobicContact CG-CD2 4.41Å; L164-L169 HydrophobicContact CG-CG 4.1Å | ||
| 165 | S | 36.6 | Very low | 48.8 | Very low | 81 Ų | 81 | 114.7 Ų | 114.7 | 57% | 0.566 | 59% | 0.591 | S | S | * | * | trans | -63.5 | 137.1 | 161.8 | 42.3 | 0 | 0 | 0 | 0 | 109.4 | P163 E167 D168 | P163-S165 PolarHBondContact O-N 3.38Å; P163-S165 VanDerWaalsContact O-N 3.16Å; S165-E167 PolarHBondContact O-N 2.87Å; S165-D168 PolarHBondContact O-N 2.68Å; S165-D168 VanDerWaalsContact O-N 3.08Å | ||
| 166 | K | 45.5 | Very low | 51.1 | Low | 184 Ų | 184 | 107.4 Ų | 107.4 | 80% | 0.8 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -18.9 | -162.4 | -72.8 | 178 | 176.3 | 175.8 | 0 | 114.7 | D168 | K166-D168 VanDerWaalsContact C-N 3.33Å; K166-D168 PolarHBondContact O-N 2.78Å |
| 167 | E | 44.6 | Very low | 53.2 | Low | 170 Ų | 170 | 106.9 Ų | 106.9 | 79% | 0.794 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -24.7 | 175 | -75.3 | 74.4 | -174.6 | 0 | 0 | 114 | S165 | S165-E167 PolarHBondContact O-N 2.87Š|
| 168 | D | 49.3 | Very low | 55.7 | Low | 51 Ų | 51 | 103.4 Ų | 103.4 | 27% | 0.273 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -84.5 | -19.5 | -172.8 | -172.2 | 47.5 | 0 | 0 | 0 | 114.1 | S165 K166 G170 A171 | S165-D168 PolarHBondContact O-N 2.68Å; S165-D168 VanDerWaalsContact O-N 3.08Å; K166-D168 VanDerWaalsContact C-N 3.33Å; K166-D168 PolarHBondContact O-N 2.78Å; D168-G170 PolarHBondContact O-N 3.5Å; D168-A171 WeakPolarHBondContact O-CB 3.37Å; D168-A171 PolarHBondContact O-N 2.88Å |
| 169 | L | 52.5 | Low | 57.9 | Low | 108 Ų | 108 | 102 Ų | 102 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -57 | -23.3 | 177.2 | -85.2 | 169.8 | 0 | 0 | 0 | 113.7 | L164 | L164-L169 HydrophobicContact CD1-CD2 4.22Å; L164-L169 HydrophobicContact CD1-CG 4.08Å; L164-L169 HydrophobicContact CD2-CD1 4.06Å; L164-L169 HydrophobicContact CD2-CD2 3.8Å; L164-L169 HydrophobicContact CD2-CG 3.87Å; L164-L169 HydrophobicContact CG-CD1 4.5Å; L164-L169 HydrophobicContact CG-CD2 4.41Å; L164-L169 HydrophobicContact CG-CG 4.1Å |
| 170 | G | 54.1 | Low | 60.1 | Low | 42 Ų | 42 | 99 Ų | 99 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -78.4 | -24 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | D168 H172 T173 | D168-G170 PolarHBondContact O-N 3.5Å; G170-H172 PolarHBondContact O-N 2.97Å; G170-T173 VanDerWaalsContact C-OG1 3.28Å; G170-T173 WeakPolarHBondContact CA-OG1 3.5Å; G170-T173 WeakPolarHBondContact O-CB 3.3Å; G170-T173 PolarHBondContact O-OG1 2.68Å |
| 171 | A | 61 | Low | 62.3 | Low | 41 Ų | 41 | 95.9 Ų | 95.9 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -72.7 | -31.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113.1 | D168 C184 | D168-A171 WeakPolarHBondContact O-CB 3.37Å; D168-A171 PolarHBondContact O-N 2.88Å; A171-C184 VanDerWaalsContact O-CB 3.25Å; A171-C184 WeakPolarHBondContact O-CB 3.38Å |
| 172 | H | 72.3 | Confident | 64.2 | Low | 82 Ų | 82 | 88.9 Ų | 88.9 | 38% | 0.38 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -85.5 | -4.9 | -178 | -70.8 | -69.6 | 0 | 0 | 0 | 115.1 | G170 Y174 C182 C184 C187 | G170-H172 PolarHBondContact O-N 2.97Å; H172-Y174 VanDerWaalsContact C-N 3.27Å; H172-Y174 PolarHBondContact O-N 3.4Å; H172-C182 VanDerWaalsContact CA-SG 3.53Å; H172-C182 PolarHBondContact O-SG 2.94Å; H172-C184 PolarHBondContact CE1-SG 3.43Å; H172-C187 PolarHBondContact CE1-SG 3.36Å; H172-C187 PolarHBondContact ND1-SG 2.06Å |
| 173 | T | 76.8 | Confident | 66.7 | Low | 25 Ų | 25 | 82.9 Ų | 82.9 | 15% | 0.153 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -62.1 | -30.3 | -175.9 | -40.1 | 0 | 0 | 0 | 0 | 113.7 | G170 R175 C298 C299 | G170-T173 VanDerWaalsContact C-OG1 3.28Å; G170-T173 WeakPolarHBondContact CA-OG1 3.5Å; G170-T173 WeakPolarHBondContact O-CB 3.3Å; G170-T173 PolarHBondContact O-OG1 2.68Å; T173-R175 PolarHBondContact O-N 3.25Å; T173-C298 WeakPolarHBondContact CG2-SG 3.48Å; T173-C299 VanDerWaalsContact CG2-O 3.23Å; T173-C299 WeakPolarHBondContact CG2-O 3.34Å; T173-C299 PolarHBondContact O-N 3.29Å |
| 174 | Y | 78.4 | Confident | 68.7 | Low | 124 Ų | 124 | 77.8 Ų | 77.8 | 49% | 0.486 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 106.9 | -174.3 | -63.4 | -74.9 | 0 | 0 | 0 | 111.6 | H172 C182 K183 T296 C298 | H172-Y174 VanDerWaalsContact C-N 3.27Å; H172-Y174 PolarHBondContact O-N 3.4Å; Y174-C182 CarbonylContact O-C 3.57Å; Y174-C182 WeakPolarHBondContact O-CA 3.44Å; Y174-C182 PolarHBondContact O-SG 3.43Å; Y174-C182 VanDerWaalsContact O-SG 3.36Å; Y174-K183 PolarHBondContact O-N 2.96Å; Y174-T296 HydrophobicContact CD1-CG2 4.22Å; Y174-T296 HydrophobicContact CG-CG2 4.45Å; Y174-C298 HydrophobicContact CD1-CB 4.43Å; Y174-C298 HydrophobicContact CE1-CB 4.24Å |
| 175 | R | 84 | Confident | 70.2 | Confident | 128 Ų | 128 | 82.2 Ų | 82.2 | 48% | 0.483 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 151.1 | 179.9 | -61.2 | -171.1 | -178.7 | -149.3 | 4 | 111.6 | T173 G180 T296 V297 | T173-R175 PolarHBondContact O-N 3.25Å; R175-G180 WeakPolarHBondContact CD-O 3.47Å; R175-T296 CarbonylContact O-C 3.51Å; R175-T296 WeakPolarHBondContact O-CA 3.44Å; R175-V297 PolarHBondContact N-O 2.78Å; R175-V297 PolarHBondContact O-N 3.35Å |
| 176 | C | 84.2 | Confident | 72.2 | Confident | 4 Ų | 4 | 83.9 Ų | 83.9 | 3% | 0.027 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 138.7 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | D178 C179 G180 K181 K183 C289 S294 | C176-D178 PolarHBondContact SG-N 3.47Å; C176-C179 HydrophobicContact CB-CB 4.24Å; C176-C179 WeakPolarHBondContact CB-SG 3.39Å; C176-C179 PolarHBondContact SG-N 3.47Å; C176-G180 VanDerWaalsContact O-CA 3.28Å; C176-G180 WeakPolarHBondContact O-CA 3.34Å; C176-G180 PolarHBondContact O-N 3.23Å; C176-K181 PolarHBondContact N-O 2.84Å; C176-K183 HydrophobicContact CB-CG 4.43Å; C176-C289 HydrophobicContact CB-CB 3.73Å; C176-C289 WeakPolarHBondContact CB-SG 3.49Å; C176-C289 PolarHBondContact SG-SG 3.46Å; C176-S294 WeakPolarHBondContact SG-CB 3.23Å; C176-S294 PolarHBondContact SG-OG 2.83Å |
| 177 | E | 83.8 | Confident | 73.7 | Confident | 108 Ų | 108 | 75.4 Ų | 75.4 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -57.4 | 172.2 | -66.4 | -176.1 | 158.1 | 0 | 0 | 111.7 | C179 N295 V297 | E177-C179 PolarHBondContact O-N 2.88Å; E177-C179 VanDerWaalsContact O-N 3.14Å; E177-N295 HydrophobicContact CG-CB 4.48Å; E177-N295 WeakPolarHBondContact OE2-CB 3.25Å; E177-V297 HydrophobicContact CG-CB 4.48Å; E177-V297 HydrophobicContact CG-CG2 3.47Å; E177-V297 VanDerWaalsContact CG-CG2 3.47Å; E177-V297 WeakPolarHBondContact OE1-CG2 3.47Å |
| 178 | D | 79.5 | Confident | 75.4 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29 | -175.7 | -35.8 | -22.4 | 0 | 0 | 0 | 114.5 | C176 S294 | C176-D178 PolarHBondContact SG-N 3.47Å; D178-S294 WeakPolarHBondContact OD2-CB 3.02Å |
| 179 | C | 82.3 | Confident | 76.6 | Confident | 46 Ų | 46 | 74.4 Ų | 74.4 | 31% | 0.311 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | -9.7 | -163.6 | 102.1 | 0 | 0 | 0 | 0 | 114.1 | C176 E177 K181 C289 | C176-C179 HydrophobicContact CB-CB 4.24Å; C176-C179 WeakPolarHBondContact CB-SG 3.39Å; C176-C179 PolarHBondContact SG-N 3.47Å; E177-C179 PolarHBondContact O-N 2.88Å; E177-C179 VanDerWaalsContact O-N 3.14Å; C179-K181 PolarHBondContact O-N 2.78Å; C179-K181 VanDerWaalsContact SG-CB 3.5Å; C179-K181 PolarHBondContact SG-N 3.45Å; C179-K181 VanDerWaalsContact SG-N 3.41Å; C179-C289 WeakPolarHBondContact CB-SG 3.44Å; C179-C289 WeakPolarHBondContact SG-CB 3.24Å; C179-C289 CovalentContact SG-SG 2.04Å; C179-C289 PolarHBondContact SG-SG 3.22Å |
| 180 | G | 77.1 | Confident | 77.5 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | trans | 63.8 | -15.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | R175 C176 | R175-G180 WeakPolarHBondContact CD-O 3.47Å; C176-G180 VanDerWaalsContact O-CA 3.28Å; C176-G180 WeakPolarHBondContact O-CA 3.34Å; C176-G180 PolarHBondContact O-N 3.23Å | ||
| 181 | K | 84.1 | Confident | 78.4 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | trans | -74 | 151 | -178.7 | -57.2 | -174.9 | 171.8 | -161.8 | 0 | 111.9 | C176 C179 R286 P287 G288 C289 | C176-K181 PolarHBondContact N-O 2.84Å; C179-K181 PolarHBondContact O-N 2.78Å; C179-K181 VanDerWaalsContact SG-CB 3.5Å; C179-K181 PolarHBondContact SG-N 3.45Å; C179-K181 VanDerWaalsContact SG-N 3.41Å; K181-R286 PolarHBondContact NZ-O 3.44Å; K181-P287 WeakPolarHBondContact CB-O 3.19Å; K181-P287 WeakPolarHBondContact CD-O 3.32Å; K181-G288 VanDerWaalsContact CD-O 3.3Å; K181-G288 WeakPolarHBondContact CD-O 3.24Å; K181-C289 HydrophobicContact CB-CB 3.96Å | ||
| 182 | C | 85.7 | Confident | 78.7 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 143.9 | 178.5 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | H172 Y174 C184 C187 G288 C289 | H172-C182 VanDerWaalsContact CA-SG 3.53Å; H172-C182 PolarHBondContact O-SG 2.94Å; Y174-C182 CarbonylContact O-C 3.57Å; Y174-C182 WeakPolarHBondContact O-CA 3.44Å; Y174-C182 PolarHBondContact O-SG 3.43Å; Y174-C182 VanDerWaalsContact O-SG 3.36Å; C182-C184 PolarHBondContact SG-N 3.39Å; C182-C184 VanDerWaalsContact SG-N 3.43Å; C182-C187 HydrophobicContact CB-CB 4.21Å; C182-C187 VanDerWaalsContact CB-SG 3.59Å; C182-C187 PolarHBondContact SG-SG 3.15Å; C182-G288 CarbonylContact O-C 3.48Å; C182-G288 WeakPolarHBondContact O-CA 3.5Å; C182-C289 PolarHBondContact O-N 3.3Å |
| 183 | K | 83.6 | Confident | 78.3 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | trans | -100.1 | 9.1 | 175.8 | -67.1 | -165.2 | -175.8 | 175.2 | 0 | 113.9 | Y174 C176 T188 C289 S294 N295 T296 | Y174-K183 PolarHBondContact O-N 2.96Å; C176-K183 HydrophobicContact CB-CG 4.43Å; K183-T188 PolarHBondContact O-OG1 2.85Å; K183-C289 HydrophobicContact CG-CB 4.13Å; K183-S294 WeakPolarHBondContact CE-OG 3.22Å; K183-S294 PolarHBondContact NZ-O 3.42Å; K183-S294 PolarHBondContact NZ-OG 3.21Å; K183-N295 PolarHBondContact NZ-O 3.02Å; K183-N295 VanDerWaalsContact NZ-O 3.12Å; K183-T296 HydrophobicContact CB-CG2 4.5Å; K183-T296 HydrophobicContact CD-CG2 3.87Å; K183-T296 WeakPolarHBondContact CD-OG1 3.48Å; K183-T296 HydrophobicContact CG-CG2 4.41Å; K183-T296 PolarHBondContact NZ-OG1 2.97Å | ||
| 184 | C | 81.7 | Confident | 77.7 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 9% | 0.088 | 38% | 0.381 | C | S | . | . | trans | -56.7 | 151.7 | 179.1 | 92.4 | 0 | 0 | 0 | 0 | 111.8 | A171 H172 C182 E186 C187 T188 | A171-C184 VanDerWaalsContact O-CB 3.25Å; A171-C184 WeakPolarHBondContact O-CB 3.38Å; H172-C184 PolarHBondContact CE1-SG 3.43Å; C182-C184 PolarHBondContact SG-N 3.39Å; C182-C184 VanDerWaalsContact SG-N 3.43Å; C184-E186 PolarHBondContact O-N 3.48Å; C184-C187 HydrophobicContact CB-CB 4.15Å; C184-C187 WeakPolarHBondContact CB-SG 3.39Å; C184-C187 WeakPolarHBondContact O-CB 3.15Å; C184-C187 PolarHBondContact O-N 3.28Å; C184-C187 WeakPolarHBondContact SG-CB 2.97Å; C184-C187 PolarHBondContact SG-N 2.78Å; C184-C187 CovalentContact SG-SG 2.06Å; C184-C187 PolarHBondContact SG-SG 3.43Å; C184-T188 VanDerWaalsContact O-CB 3.29Å; C184-T188 WeakPolarHBondContact O-CB 3.39Å; C184-T188 PolarHBondContact O-N 3.46Å; C184-T188 PolarHBondContact O-OG1 3.01Å | ||
| 185 | K | 77.1 | Confident | 76.8 | Confident | 196 Ų | 196 | 74.5 Ų | 74.5 | 85% | 0.852 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -35.5 | -177.6 | -74.5 | -175.6 | 178.4 | 177.7 | 0 | 112.4 | T188 Y189 | K185-T188 CarbonylContact O-C 3.32Å; K185-T188 PolarHBondContact O-N 3.49Å; K185-Y189 WeakPolarHBondContact O-CB 3.44Å; K185-Y189 PolarHBondContact O-N 3.22Å |
| 186 | E | 78.7 | Confident | 75.5 | Confident | 115 Ų | 115 | 71.1 Ų | 71.1 | 54% | 0.537 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -37 | -179.4 | -46.8 | -168.3 | 167 | 0 | 0 | 113.3 | C184 T188 Y189 R191 | C184-E186 PolarHBondContact O-N 3.48Å; E186-T188 VanDerWaalsContact C-N 3.26Å; E186-Y189 PolarHBondContact O-N 3Å; E186-R191 PolarHBondContact O-NH2 2.83Å |
| 187 | C | 78.2 | Confident | 74.1 | Confident | 7 Ų | 7 | 78.8 Ų | 78.8 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -41.2 | 172.5 | -49.7 | 0 | 0 | 0 | 0 | 110.2 | H172 C182 C184 R286 G288 | H172-C187 PolarHBondContact CE1-SG 3.36Å; H172-C187 PolarHBondContact ND1-SG 2.06Å; C182-C187 HydrophobicContact CB-CB 4.21Å; C182-C187 VanDerWaalsContact CB-SG 3.59Å; C182-C187 PolarHBondContact SG-SG 3.15Å; C184-C187 HydrophobicContact CB-CB 4.15Å; C184-C187 WeakPolarHBondContact CB-SG 3.39Å; C184-C187 WeakPolarHBondContact O-CB 3.15Å; C184-C187 PolarHBondContact O-N 3.28Å; C184-C187 WeakPolarHBondContact SG-CB 2.97Å; C184-C187 PolarHBondContact SG-N 2.78Å; C184-C187 CovalentContact SG-SG 2.06Å; C184-C187 PolarHBondContact SG-SG 3.43Å; C187-R286 WeakPolarHBondContact O-CG 3.36Å; C187-G288 VanDerWaalsContact O-CA 3.24Å; C187-G288 WeakPolarHBondContact O-CA 3.4Å; C187-G288 PolarHBondContact O-N 3.17Å |
| 188 | T | 78.8 | Confident | 72.6 | Confident | 46 Ų | 46 | 80 Ų | 80 | 28% | 0.282 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 11.6 | -176.8 | -37.8 | 0 | 0 | 0 | 0 | 111.2 | K183 C184 K185 E186 R286 | K183-T188 PolarHBondContact O-OG1 2.85Å; C184-T188 VanDerWaalsContact O-CB 3.29Å; C184-T188 WeakPolarHBondContact O-CB 3.39Å; C184-T188 PolarHBondContact O-N 3.46Å; C184-T188 PolarHBondContact O-OG1 3.01Å; K185-T188 CarbonylContact O-C 3.32Å; K185-T188 PolarHBondContact O-N 3.49Å; E186-T188 VanDerWaalsContact C-N 3.26Å; T188-R286 PolarHBondContact O-NE 3.24Å; T188-R286 PolarHBondContact O-NH2 3.3Å |
| 189 | Y | 74.9 | Confident | 71.2 | Confident | 153 Ų | 153 | 75.5 Ų | 75.5 | 60% | 0.6 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -80.3 | 132.2 | 173.3 | -165.2 | -96.3 | 0 | 0 | 0 | 110 | K185 E186 R191 | K185-Y189 WeakPolarHBondContact O-CB 3.44Å; K185-Y189 PolarHBondContact O-N 3.22Å; E186-Y189 PolarHBondContact O-N 3Å; Y189-R191 PolarHBondContact O-N 2.9Å |
| 190 | P | 71 | Confident | 69.9 | Low | 66 Ų | 66 | 80.5 Ų | 80.5 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 126.5 | 177.1 | -20.9 | 32.6 | 0 | 0 | 0 | 111.3 | D282 | P190-D282 WeakPolarHBondContact CA-OD1 3.49Š|
| 191 | R | 73 | Confident | 68.9 | Low | 108 Ų | 108 | 86.8 Ų | 86.8 | 41% | 0.408 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 125 | -179.2 | -63.5 | -69 | 164.5 | 154.4 | -6.4 | 110.1 | E186 Y189 Y281 D282 | E186-R191 PolarHBondContact O-NH2 2.83Å; Y189-R191 PolarHBondContact O-N 2.9Å; R191-Y281 HydrophobicContact CB-CE1 4.3Å; R191-D282 PolarHBondContact N-OD1 3.19Å |
| 192 | T | 68.2 | Low | 67.6 | Low | 97 Ų | 97 | 90.9 Ų | 90.9 | 60% | 0.595 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 155.7 | 171.7 | 49 | 0 | 0 | 0 | 0 | 110.5 | P194 | T192-P194 WeakPolarHBondContact O-CD 3.48Š|
| 193 | L | 63.7 | Low | 66.3 | Low | 33 Ų | 33 | 92.6 Ų | 92.6 | 17% | 0.173 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 129 | 170.4 | -74.3 | 169.3 | 0 | 0 | 0 | 108.9 | W197 Q278 Y281 | L193-W197 HydrophobicContact CD2-CZ2 4.04Å; L193-Q278 HydrophobicContact CD1-CB 3.76Å; L193-Q278 HydrophobicContact CD1-CG 4.42Å; L193-Q278 HydrophobicContact CD2-CB 4.48Å; L193-Q278 HydrophobicContact CG-CB 3.72Å; L193-Q278 HydrophobicContact CG-CG 3.93Å; L193-Y281 HydrophobicContact CD2-CD1 4.19Å; L193-Y281 HydrophobicContact CD2-CG 3.98Å |
| 194 | P | 64.5 | Low | 65 | Low | 58 Ų | 58 | 95.6 Ų | 95.6 | 38% | 0.377 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 139.9 | 170.7 | -25.1 | 28.4 | 0 | 0 | 0 | 111.7 | T192 C196 W197 Y281 | T192-P194 WeakPolarHBondContact O-CD 3.48Å; P194-C196 PolarHBondContact O-N 3.33Å; P194-W197 VanDerWaalsContact CD-NE1 3.32Å; P194-Y281 HydrophobicContact CG-CE1 4.43Å |
| 195 | S | 59.6 | Low | 63.8 | Low | 62 Ų | 62 | 97.2 Ų | 97.2 | 43% | 0.434 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -76.5 | 3.4 | -177.6 | 50.2 | 0 | 0 | 0 | 0 | 114.9 | C205 | S195-C205 CarbonylContact O-C 3.45Š|
| 196 | C | 55.5 | Low | 63.5 | Low | 58 Ų | 58 | 89.7 Ų | 89.7 | 39% | 0.392 | 46% | 0.462 | S | S | . | . | trans | -130.7 | 44 | -167.2 | -53 | 0 | 0 | 0 | 0 | 113.3 | P194 | P194-C196 PolarHBondContact O-N 3.33Š| ||
| 197 | W | 54.3 | Low | 63.4 | Low | 165 Ų | 165 | 85.9 Ų | 85.9 | 63% | 0.625 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -78.6 | -21.8 | -178.7 | -82.1 | 51.9 | 0 | 0 | 0 | 114.9 | L193 P194 Y281 | L193-W197 HydrophobicContact CD2-CZ2 4.04Å; P194-W197 VanDerWaalsContact CD-NE1 3.32Å; W197-Y281 HydrophobicContact CH2-CD2 4.31Å; W197-Y281 AromaticContact CZ2-CD2 3.9Å; W197-Y281 HydrophobicContact CZ2-CD2 3.9Å; W197-Y281 AromaticContact CZ2-CE2 3.96Å; W197-Y281 HydrophobicContact CZ2-CE2 3.96Å |
| 198 | I | 52.9 | Low | 63.3 | Low | 132 Ų | 132 | 88.5 Ų | 88.5 | 68% | 0.677 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -118.8 | -14.8 | -163.8 | -78.2 | 162.6 | 0 | 0 | 0 | 113 | ||
| 199 | C | 51 | Low | 63.2 | Low | 22 Ų | 22 | 89.5 Ų | 89.5 | 15% | 0.149 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -146.5 | 119.4 | -178.6 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | K201 C203 | C199-K201 VanDerWaalsContact C-N 3.28Å; C199-K201 PolarHBondContact O-N 2.9Å; C199-C203 HydrophobicContact CB-CB 3.51Å; C199-C203 WeakPolarHBondContact CB-SG 3.24Å; C199-C203 WeakPolarHBondContact SG-CB 3.13Å; C199-C203 PolarHBondContact SG-N 3.48Å; C199-C203 CovalentContact SG-SG 2.05Å; C199-C203 PolarHBondContact SG-SG 2.9Å |
| 200 | D | 55.2 | Low | 63.5 | Low | 150 Ų | 150 | 85.6 Ų | 85.6 | 80% | 0.802 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -64.4 | 82.1 | -174.5 | -87.2 | -56.3 | 0 | 0 | 0 | 111.9 | Q202 | D200-Q202 PolarHBondContact O-N 3.36Š|
| 201 | K | 56.1 | Low | 64.1 | Low | 173 Ų | 173 | 83.3 Ų | 83.3 | 75% | 0.752 | 44% | 0.442 | S | S | * | . | S | Bend | trans | 60.1 | 0.3 | 178.3 | -53.1 | 177.1 | -175.8 | 174.8 | 0 | 116 | C199 | C199-K201 VanDerWaalsContact C-N 3.28Å; C199-K201 PolarHBondContact O-N 2.9Å |
| 202 | Q | 56.6 | Low | 64.5 | Low | 179 Ų | 179 | 78.9 Ų | 78.9 | 84% | 0.836 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -91.4 | -14.1 | -177 | -69.8 | 178.2 | 7.1 | 0 | 0 | 114.7 | D200 | D200-Q202 PolarHBondContact O-N 3.36Š|
| 203 | C | 58.5 | Low | 65.1 | Low | 52 Ų | 52 | 82 Ų | 82 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -132.3 | 134.2 | -177.2 | -36.8 | 0 | 0 | 0 | 0 | 110.7 | C199 C205 | C199-C203 HydrophobicContact CB-CB 3.51Å; C199-C203 WeakPolarHBondContact CB-SG 3.24Å; C199-C203 WeakPolarHBondContact SG-CB 3.13Å; C199-C203 PolarHBondContact SG-N 3.48Å; C199-C203 CovalentContact SG-SG 2.05Å; C199-C203 PolarHBondContact SG-SG 2.9Å; C203-C205 HydrophobicContact CB-CB 4.22Å; C203-C205 WeakPolarHBondContact CB-SG 3.37Å; C203-C205 PolarHBondContact O-N 3.24Å |
| 204 | L | 55.1 | Low | 65.9 | Low | 123 Ų | 123 | 83.2 Ų | 83.2 | 64% | 0.644 | 45% | 0.448 | S | S | * | . | trans | -75.7 | 47.2 | 169 | -68.8 | 172.1 | 0 | 0 | 0 | 111.7 | S206 N209 | L204-S206 PolarHBondContact O-N 3.26Å; L204-N209 PolarHBondContact O-ND2 3.06Å | ||
| 205 | C | 57.6 | Low | 66.9 | Low | 47 Ų | 47 | 80.8 Ų | 80.8 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | trans | -80.6 | 62 | 178.2 | -69.6 | 0 | 0 | 0 | 0 | 110.9 | S195 C203 A207 V210 | S195-C205 CarbonylContact O-C 3.45Å; C203-C205 HydrophobicContact CB-CB 4.22Å; C203-C205 WeakPolarHBondContact CB-SG 3.37Å; C203-C205 PolarHBondContact O-N 3.24Å; C205-A207 PolarHBondContact O-N 2.77Å; C205-V210 HydrophobicContact CB-CG2 4.44Å | ||
| 206 | S | 71 | Confident | 68.1 | Low | 38 Ų | 38 | 79 Ų | 79 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | trans | -53.1 | 134.7 | 164.1 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | L204 Q208 N209 V210 | L204-S206 PolarHBondContact O-N 3.26Å; S206-Q208 PolarHBondContact O-N 3.49Å; S206-Q208 VanDerWaalsContact O-N 3.09Å; S206-N209 WeakPolarHBondContact O-CB 3.19Å; S206-N209 PolarHBondContact O-N 2.92Å; S206-V210 PolarHBondContact O-N 3.18Å | ||
| 207 | A | 75.3 | Confident | 69.5 | Low | 34 Ų | 34 | 76.4 Ų | 76.4 | 28% | 0.281 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.5 | -29.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C205 V210 V211 L274 | C205-A207 PolarHBondContact O-N 2.77Å; A207-V210 PolarHBondContact O-N 2.68Å; A207-V211 PolarHBondContact O-N 2.75Å; A207-L274 HydrophobicContact CB-CD1 4.42Å; A207-L274 HydrophobicContact CB-CD2 3.81Å |
| 208 | Q | 77.3 | Confident | 70.7 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 29% | 0.29 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 173.4 | -170.4 | 60.8 | 58.3 | 0 | 0 | 112.3 | S206 V211 D212 | S206-Q208 PolarHBondContact O-N 3.49Å; S206-Q208 VanDerWaalsContact O-N 3.09Å; Q208-V211 PolarHBondContact O-N 2.91Å; Q208-D212 PolarHBondContact NE2-OD1 3.49Å; Q208-D212 WeakPolarHBondContact O-CB 3.15Å; Q208-D212 PolarHBondContact O-N 3.18Å |
| 209 | N | 75.4 | Confident | 72.1 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 178.4 | -65.3 | 2.9 | 0 | 0 | 0 | 110.6 | L204 S206 V211 D212 Y213 | L204-N209 PolarHBondContact O-ND2 3.06Å; S206-N209 WeakPolarHBondContact O-CB 3.19Å; S206-N209 PolarHBondContact O-N 2.92Å; N209-V211 VanDerWaalsContact C-N 3.27Å; N209-V211 PolarHBondContact O-N 2.79Å; N209-D212 PolarHBondContact O-N 3.41Å; N209-Y213 HydrophobicContact CB-CD2 4.26Å; N209-Y213 HydrophobicContact CB-CE2 4.15Å; N209-Y213 WeakPolarHBondContact O-CD2 3.39Å; N209-Y213 PolarHBondContact O-N 3.16Å |
| 210 | V | 81.4 | Confident | 73.6 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 44% | 0.436 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 176.9 | 178.9 | 0 | 0 | 0 | 0 | 111 | C205 S206 A207 G214 | C205-V210 HydrophobicContact CB-CG2 4.44Å; S206-V210 PolarHBondContact O-N 3.18Å; A207-V210 PolarHBondContact O-N 2.68Å; V210-G214 WeakPolarHBondContact O-CA 3.49Å; V210-G214 PolarHBondContact O-N 3.29Å |
| 211 | V | 83.6 | Confident | 74.9 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 11% | 0.109 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.5 | -46.7 | 174.1 | 167.8 | 0 | 0 | 0 | 0 | 111.8 | A207 Q208 N209 Y213 G214 T215 Y267 A270 L274 | A207-V211 PolarHBondContact O-N 2.75Å; Q208-V211 PolarHBondContact O-N 2.91Å; N209-V211 VanDerWaalsContact C-N 3.27Å; N209-V211 PolarHBondContact O-N 2.79Å; V211-Y213 VanDerWaalsContact C-N 3.33Å; V211-Y213 PolarHBondContact O-N 3.32Å; V211-G214 PolarHBondContact O-N 2.96Å; V211-T215 HydrophobicContact CG1-CG2 4.19Å; V211-T215 WeakPolarHBondContact O-CB 3.46Å; V211-T215 WeakPolarHBondContact O-CG2 3.38Å; V211-T215 PolarHBondContact O-N 3.4Å; V211-T215 PolarHBondContact O-OG1 2.96Å; V211-Y267 HydrophobicContact CG1-CD2 3.74Å; V211-Y267 HydrophobicContact CG1-CE2 4Å; V211-A270 HydrophobicContact CG1-CB 3.91Å; V211-A270 HydrophobicContact CG2-CB 4.01Å; V211-L274 HydrophobicContact CB-CD1 4.02Å; V211-L274 HydrophobicContact CG2-CD1 3.53Å; V211-L274 HydrophobicContact CG2-CG 3.98Å |
| 212 | D | 82.4 | Confident | 76.1 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | -178 | -80.4 | 19.9 | 0 | 0 | 0 | 112.8 | Q208 N209 V217 C218 K221 | Q208-D212 PolarHBondContact NE2-OD1 3.49Å; Q208-D212 WeakPolarHBondContact O-CB 3.15Å; Q208-D212 PolarHBondContact O-N 3.18Å; N209-D212 PolarHBondContact O-N 3.41Å; D212-V217 PolarHBondContact O-N 2.05Å; D212-C218 PolarHBondContact O-N 2.94Å; D212-K221 IonicContact OD2-NZ 3.78Å; D212-K221 PolarHBondContact OD2-NZ 2.89Å |
| 213 | Y | 80 | Confident | 77.1 | Confident | 164 Ų | 164 | 50.2 Ų | 50.2 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -78.7 | -45.2 | 174 | -67.7 | -62.6 | 0 | 0 | 0 | 112.4 | N209 V211 T215 C216 C218 | N209-Y213 HydrophobicContact CB-CD2 4.26Å; N209-Y213 HydrophobicContact CB-CE2 4.15Å; N209-Y213 WeakPolarHBondContact O-CD2 3.39Å; N209-Y213 PolarHBondContact O-N 3.16Å; V211-Y213 VanDerWaalsContact C-N 3.33Å; V211-Y213 PolarHBondContact O-N 3.32Å; Y213-T215 VanDerWaalsContact C-N 3.27Å; Y213-T215 PolarHBondContact O-N 3.08Å; Y213-C216 PolarHBondContact O-N 3.06Å; Y213-C218 HydrophobicContact CD1-CB 4.02Å; Y213-C218 HydrophobicContact CE1-CB 4.14Å |
| 214 | G | 80.1 | Confident | 78.1 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -68.4 | -22.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V210 V211 | V210-G214 WeakPolarHBondContact O-CA 3.49Å; V210-G214 PolarHBondContact O-N 3.29Å; V211-G214 PolarHBondContact O-N 2.96Å |
| 215 | T | 85.2 | Confident | 79.1 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 10.3 | 177 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | V211 Y213 V217 C263 L264 C266 Y267 A270 | V211-T215 HydrophobicContact CG1-CG2 4.19Å; V211-T215 WeakPolarHBondContact O-CB 3.46Å; V211-T215 WeakPolarHBondContact O-CG2 3.38Å; V211-T215 PolarHBondContact O-N 3.4Å; V211-T215 PolarHBondContact O-OG1 2.96Å; Y213-T215 VanDerWaalsContact C-N 3.27Å; Y213-T215 PolarHBondContact O-N 3.08Å; T215-V217 PolarHBondContact O-N 3.02Å; T215-V217 VanDerWaalsContact O-N 3.13Å; T215-C263 WeakPolarHBondContact CB-O 3.36Å; T215-C263 CarbonylContact O-C 3.36Å; T215-L264 WeakPolarHBondContact O-CA 3.42Å; T215-L264 WeakPolarHBondContact O-CD2 3.45Å; T215-L264 PolarHBondContact O-N 3.41Å; T215-C266 HydrophobicContact CG2-CB 4.26Å; T215-Y267 VanDerWaalsContact OG1-CD2 3.29Å; T215-Y267 WeakPolarHBondContact OG1-CD2 3.5Å; T215-A270 HydrophobicContact CG2-CB 4.27Å |
| 216 | C | 85.2 | Confident | 80 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 17 | 176.9 | -42.1 | 0 | 0 | 0 | 0 | 114.9 | Y213 C218 C219 L261 C263 | Y213-C216 PolarHBondContact O-N 3.06Å; C216-C218 PolarHBondContact O-N 3.48Å; C216-C219 VanDerWaalsContact O-CB 3.29Å; C216-C219 WeakPolarHBondContact O-CB 3.34Å; C216-C219 PolarHBondContact O-N 2.82Å; C216-L261 HydrophobicContact CB-CB 4.35Å; C216-L261 HydrophobicContact CB-CD1 4.04Å; C216-L261 HydrophobicContact CB-CD2 4.28Å; C216-L261 HydrophobicContact CB-CG 4.47Å; C216-C263 HydrophobicContact CB-CB 4.16Å; C216-C263 WeakPolarHBondContact CB-SG 3.29Å; C216-C263 WeakPolarHBondContact SG-CB 3.1Å; C216-C263 CovalentContact SG-SG 2.04Å; C216-C263 PolarHBondContact SG-SG 3Å |
| 217 | V | 84.6 | Confident | 79.8 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -22.9 | 177.2 | 165.3 | 0 | 0 | 0 | 0 | 112.2 | D212 T215 C219 V220 K221 L264 Y267 | D212-V217 PolarHBondContact O-N 2.05Å; T215-V217 PolarHBondContact O-N 3.02Å; T215-V217 VanDerWaalsContact O-N 3.13Å; V217-C219 PolarHBondContact O-N 3.19Å; V217-V220 WeakPolarHBondContact O-CB 3.48Å; V217-V220 PolarHBondContact O-N 3.4Å; V217-K221 HydrophobicContact CG1-CD 4.32Å; V217-K221 HydrophobicContact CG1-CG 4.29Å; V217-K221 WeakPolarHBondContact O-CG 3.4Å; V217-K221 PolarHBondContact O-N 2.86Å; V217-L264 HydrophobicContact CB-CD2 4.4Å; V217-L264 HydrophobicContact CG2-CD2 3.56Å; V217-Y267 HydrophobicContact CB-CD2 4.31Å; V217-Y267 HydrophobicContact CB-CE2 4.23Å; V217-Y267 HydrophobicContact CG1-CE2 4.22Å; V217-Y267 HydrophobicContact CG2-CD1 3.74Å; V217-Y267 HydrophobicContact CG2-CD2 3.48Å; V217-Y267 VanDerWaalsContact CG2-CD2 3.48Å; V217-Y267 HydrophobicContact CG2-CE1 4.04Å; V217-Y267 HydrophobicContact CG2-CE2 3.77Å; V217-Y267 HydrophobicContact CG2-CG 3.42Å; V217-Y267 VanDerWaalsContact CG2-CG 3.42Å |
| 218 | C | 81.1 | Confident | 79.3 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 31% | 0.311 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.2 | -36.6 | 166.3 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | D212 Y213 C216 K221 G222 | D212-C218 PolarHBondContact O-N 2.94Å; Y213-C218 HydrophobicContact CD1-CB 4.02Å; Y213-C218 HydrophobicContact CE1-CB 4.14Å; C216-C218 PolarHBondContact O-N 3.48Å; C218-K221 PolarHBondContact O-N 2.84Å; C218-G222 PolarHBondContact O-N 3.36Å |
| 219 | C | 81.6 | Confident | 78.4 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 42% | 0.419 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.2 | -38.6 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | C216 V217 G222 L223 L261 | C216-C219 VanDerWaalsContact O-CB 3.29Å; C216-C219 WeakPolarHBondContact O-CB 3.34Å; C216-C219 PolarHBondContact O-N 2.82Å; V217-C219 PolarHBondContact O-N 3.19Å; C219-G222 PolarHBondContact O-N 3.35Å; C219-L223 WeakPolarHBondContact O-CB 3.45Å; C219-L223 PolarHBondContact O-N 3.37Å; C219-L261 HydrophobicContact CB-CD1 3.79Å |
| 220 | V | 83.1 | Confident | 77.6 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.024 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 172.3 | 152.5 | 0 | 0 | 0 | 0 | 111.5 | V217 L223 F224 P239 M254 V257 L264 | V217-V220 WeakPolarHBondContact O-CB 3.48Å; V217-V220 PolarHBondContact O-N 3.4Å; V220-L223 PolarHBondContact O-N 2.9Å; V220-F224 HydrophobicContact CG1-CD2 4.22Å; V220-F224 HydrophobicContact CG1-CE2 4.22Å; V220-F224 PolarHBondContact O-N 3.21Å; V220-P239 HydrophobicContact CG1-CB 3.64Å; V220-P239 HydrophobicContact CG1-CG 4.26Å; V220-M254 HydrophobicContact CB-CE 4.06Å; V220-M254 HydrophobicContact CB-SD 4.06Å; V220-M254 HydrophobicContact CG1-CE 3.68Å; V220-M254 HydrophobicContact CG1-SD 3.34Å; V220-M254 WeakPolarHBondContact CG1-SD 3.29Å; V220-M254 HydrophobicContact CG2-CE 3.61Å; V220-M254 HydrophobicContact CG2-SD 3.6Å; V220-M254 VanDerWaalsContact CG2-SD 3.6Å; V220-V257 HydrophobicContact CG2-CG1 4.19Å; V220-L264 HydrophobicContact CB-CD2 4.49Å; V220-L264 HydrophobicContact CG2-CD1 3.78Å; V220-L264 HydrophobicContact CG2-CD2 3.64Å; V220-L264 HydrophobicContact CG2-CG 4.41Å |
| 221 | K | 82.3 | Confident | 76.4 | Confident | 66 Ų | 66 | 68.8 Ų | 68.8 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.4 | -71.1 | 177.3 | 168.2 | -178.1 | 0 | 111.5 | D212 V217 C218 F224 Y225 | D212-K221 IonicContact OD2-NZ 3.78Å; D212-K221 PolarHBondContact OD2-NZ 2.89Å; V217-K221 HydrophobicContact CG1-CD 4.32Å; V217-K221 HydrophobicContact CG1-CG 4.29Å; V217-K221 WeakPolarHBondContact O-CG 3.4Å; V217-K221 PolarHBondContact O-N 2.86Å; C218-K221 PolarHBondContact O-N 2.84Å; K221-F224 PolarHBondContact O-N 3.31Å; K221-Y225 WeakPolarHBondContact O-CB 3.36Å; K221-Y225 PolarHBondContact O-N 2.92Å |
| 222 | G | 80.2 | Confident | 74.9 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C218 C219 Y225 H226 | C218-G222 PolarHBondContact O-N 3.36Å; C219-G222 PolarHBondContact O-N 3.35Å; G222-Y225 PolarHBondContact O-N 3.38Å; G222-H226 PolarHBondContact O-CD2 2.95Å; G222-H226 VanDerWaalsContact O-CD2 3.29Å; G222-H226 PolarHBondContact O-N 3.09Å |
| 223 | L | 78.6 | Confident | 73.7 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 174.2 | -179.2 | 65.9 | 0 | 0 | 0 | 111 | C219 V220 Y225 H226 C227 V257 | C219-L223 WeakPolarHBondContact O-CB 3.45Å; C219-L223 PolarHBondContact O-N 3.37Å; V220-L223 PolarHBondContact O-N 2.9Å; L223-Y225 VanDerWaalsContact C-N 3.32Å; L223-Y225 PolarHBondContact O-N 3.18Å; L223-H226 PolarHBondContact O-N 3.18Å; L223-C227 VanDerWaalsContact O-CB 3.24Å; L223-C227 WeakPolarHBondContact O-CB 3.19Å; L223-C227 PolarHBondContact O-N 3.21Å; L223-C227 PolarHBondContact O-SG 3.35Å; L223-C227 VanDerWaalsContact O-SG 3.34Å; L223-V257 HydrophobicContact CD2-CG2 3.51Å |
| 224 | F | 78.6 | Confident | 72.9 | Confident | 9 Ų | 9 | 75 Ų | 75 | 4% | 0.039 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68 | -29.5 | 176.6 | -75.1 | -22 | 0 | 0 | 0 | 113.6 | V220 K221 S228 C235 P239 R250 A253 M254 | V220-F224 HydrophobicContact CG1-CD2 4.22Å; V220-F224 HydrophobicContact CG1-CE2 4.22Å; V220-F224 PolarHBondContact O-N 3.21Å; K221-F224 PolarHBondContact O-N 3.31Å; F224-S228 VanDerWaalsContact O-CB 3.22Å; F224-S228 WeakPolarHBondContact O-CB 3.29Å; F224-S228 PolarHBondContact O-N 2.87Å; F224-C235 HydrophobicContact CB-CB 4.5Å; F224-C235 VanDerWaalsContact CB-SG 3.57Å; F224-C235 WeakPolarHBondContact CG-SG 3.45Å; F224-P239 HydrophobicContact CD2-CB 3.84Å; F224-P239 HydrophobicContact CE2-CB 3.64Å; F224-R250 HydrophobicContact CE1-CB 4.23Å; F224-R250 HydrophobicContact CE1-CG 4.08Å; F224-R250 HydrophobicContact CZ-CB 3.89Å; F224-R250 HydrophobicContact CZ-CG 4.13Å; F224-A253 HydrophobicContact CE1-CB 4.26Å; F224-M254 HydrophobicContact CD1-CE 4.48Å; F224-M254 HydrophobicContact CD2-CE 4.32Å; F224-M254 HydrophobicContact CE1-CE 3.75Å; F224-M254 HydrophobicContact CE2-CE 3.55Å; F224-M254 HydrophobicContact CE2-CG 4.32Å; F224-M254 HydrophobicContact CE2-SD 3.73Å; F224-M254 HydrophobicContact CZ-CE 3.23Å; F224-M254 HydrophobicContact CZ-CG 3.98Å; F224-M254 HydrophobicContact CZ-SD 3.81Å |
| 225 | Y | 76.9 | Confident | 71.9 | Confident | 151 Ų | 151 | 72.7 Ų | 72.7 | 59% | 0.592 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | 171.2 | -178.7 | -108.6 | 0 | 0 | 0 | 112.2 | K221 G222 L223 | K221-Y225 WeakPolarHBondContact O-CB 3.36Å; K221-Y225 PolarHBondContact O-N 2.92Å; G222-Y225 PolarHBondContact O-N 3.38Å; L223-Y225 VanDerWaalsContact C-N 3.32Å; L223-Y225 PolarHBondContact O-N 3.18Å |
| 226 | H | 76 | Confident | 70.6 | Confident | 157 Ų | 157 | 73.5 Ų | 73.5 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -82.4 | -20.6 | 177.9 | -73.9 | -61.6 | 0 | 0 | 0 | 114.8 | G222 L223 | G222-H226 PolarHBondContact O-CD2 2.95Å; G222-H226 VanDerWaalsContact O-CD2 3.29Å; G222-H226 PolarHBondContact O-N 3.09Å; L223-H226 PolarHBondContact O-N 3.18Å |
| 227 | C | 66.6 | Low | 69.5 | Low | 92 Ų | 92 | 77.4 Ų | 77.4 | 62% | 0.622 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -97.6 | -11.7 | 177.8 | -66.9 | 0 | 0 | 0 | 0 | 114 | L223 | L223-C227 VanDerWaalsContact O-CB 3.24Å; L223-C227 WeakPolarHBondContact O-CB 3.19Å; L223-C227 PolarHBondContact O-N 3.21Å; L223-C227 PolarHBondContact O-SG 3.35Å; L223-C227 VanDerWaalsContact O-SG 3.34Å |
| 228 | S | 65.6 | Low | 68.4 | Low | 35 Ų | 35 | 82.1 Ų | 82.1 | 25% | 0.245 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -80.8 | 125.9 | 166.6 | -163.8 | 0 | 0 | 0 | 0 | 108.6 | F224 D233 | F224-S228 VanDerWaalsContact O-CB 3.22Å; F224-S228 WeakPolarHBondContact O-CB 3.29Å; F224-S228 PolarHBondContact O-N 2.87Å; S228-D233 PolarHBondContact OG-O 3.42Å |
| 229 | N | 57 | Low | 67.4 | Low | 154 Ų | 154 | 80.5 Ų | 80.5 | 82% | 0.824 | 43% | 0.43 | S | S | * | . | trans | -69.4 | 142.9 | 163.4 | -145.8 | 33.2 | 0 | 0 | 0 | 107.5 | D231 | N229-D231 VanDerWaalsContact C-N 3.27Å; N229-D231 PolarHBondContact O-N 2.04Å | ||
| 230 | D | 59.4 | Low | 66.4 | Low | 136 Ų | 136 | 80.6 Ų | 80.6 | 73% | 0.727 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.1 | -148 | -152.8 | 31.1 | 0 | 0 | 0 | 117.1 | ||
| 231 | D | 55.6 | Low | 65.4 | Low | 151 Ų | 151 | 82.4 Ų | 82.4 | 81% | 0.807 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -21 | -161.7 | -68.3 | -70.2 | 0 | 0 | 0 | 118.1 | N229 | N229-D231 VanDerWaalsContact C-N 3.27Å; N229-D231 PolarHBondContact O-N 2.04Å |
| 232 | E | 53.4 | Low | 64.2 | Low | 179 Ų | 179 | 83.2 Ų | 83.2 | 84% | 0.836 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -27.6 | -164.5 | -80.9 | -87.4 | 103.4 | 0 | 0 | 116.3 | ||
| 233 | D | 57.1 | Low | 63.2 | Low | 45 Ų | 45 | 86.7 Ų | 86.7 | 24% | 0.241 | 48% | 0.476 | C | S | . | . | trans | -131.2 | 112.7 | -173.7 | -83.1 | -40.8 | 0 | 0 | 0 | 112.4 | S228 C235 Q244 | S228-D233 PolarHBondContact OG-O 3.42Å; D233-C235 HydrophobicContact CB-CB 4.22Å; D233-C235 WeakPolarHBondContact O-CB 3.25Å; D233-C235 PolarHBondContact O-N 3.06Å; D233-Q244 PolarHBondContact OD1-NE2 3.07Å | ||
| 234 | N | 62.7 | Low | 62.3 | Low | 102 Ų | 102 | 86.5 Ų | 86.5 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | trans | -73.9 | 67.2 | 167.2 | -167.9 | -13.1 | 0 | 0 | 0 | 111.1 | D237 | N234-D237 PolarHBondContact ND2-OD2 2.63Å; N234-D237 WeakPolarHBondContact OD1-CB 3.05Å; N234-D237 PolarHBondContact OD1-OD2 3.13Å; N234-D237 VanDerWaalsContact OD1-OD2 3.14Å | ||
| 235 | C | 58.3 | Low | 61.5 | Low | 10 Ų | 10 | 91 Ų | 91 | 7% | 0.068 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -32.7 | -169.9 | 178 | 0 | 0 | 0 | 0 | 112.3 | F224 D233 N238 R250 | F224-C235 HydrophobicContact CB-CB 4.5Å; F224-C235 VanDerWaalsContact CB-SG 3.57Å; F224-C235 WeakPolarHBondContact CG-SG 3.45Å; D233-C235 HydrophobicContact CB-CB 4.22Å; D233-C235 WeakPolarHBondContact O-CB 3.25Å; D233-C235 PolarHBondContact O-N 3.06Å; C235-N238 CarbonylContact O-C 3.54Å; C235-R250 PolarHBondContact O-NH2 2.99Å; C235-R250 PolarHBondContact SG-NE 3.16Å; C235-R250 PolarHBondContact SG-NH2 2.99Å |
| 236 | A | 59.5 | Low | 60.9 | Low | 24 Ų | 24 | 88.8 Ų | 88.8 | 20% | 0.198 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -34.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 237 | D | 61.7 | Low | 60.6 | Low | 107 Ų | 107 | 82.9 Ų | 82.9 | 57% | 0.572 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -34 | 179 | -77.9 | -23.5 | 0 | 0 | 0 | 112.4 | N234 P239 | N234-D237 PolarHBondContact ND2-OD2 2.63Å; N234-D237 WeakPolarHBondContact OD1-CB 3.05Å; N234-D237 PolarHBondContact OD1-OD2 3.13Å; N234-D237 VanDerWaalsContact OD1-OD2 3.14Å; D237-P239 WeakPolarHBondContact O-CD 3.4Å |
| 238 | N | 61.8 | Low | 60.9 | Low | 102 Ų | 102 | 83.3 Ų | 83.3 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | trans | -127.9 | 70.8 | -176.1 | -69.4 | -77.7 | 0 | 0 | 0 | 112.1 | C235 C240 S241 R250 | C235-N238 CarbonylContact O-C 3.54Å; N238-C240 PolarHBondContact O-N 2.87Å; N238-C240 VanDerWaalsContact O-N 3.07Å; N238-S241 PolarHBondContact O-N 2.89Å; N238-R250 PolarHBondContact O-NH2 2.78Å | ||
| 239 | P | 59.8 | Low | 61.4 | Low | 13 Ų | 13 | 86.2 Ų | 86.2 | 8% | 0.084 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.1 | -176.8 | 26.6 | -35.8 | 0 | 0 | 0 | 114.5 | V220 F224 D237 | V220-P239 HydrophobicContact CG1-CB 3.64Å; V220-P239 HydrophobicContact CG1-CG 4.26Å; F224-P239 HydrophobicContact CD2-CB 3.84Å; F224-P239 HydrophobicContact CE2-CB 3.64Å; D237-P239 WeakPolarHBondContact O-CD 3.4Å |
| 240 | C | 60.6 | Low | 62.4 | Low | 63 Ų | 63 | 79.8 Ų | 79.8 | 43% | 0.426 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 13.4 | -176.5 | -49 | 0 | 0 | 0 | 0 | 113.9 | N238 | N238-C240 PolarHBondContact O-N 2.87Å; N238-C240 VanDerWaalsContact O-N 3.07Å |
| 241 | S | 61.3 | Low | 63.5 | Low | 43 Ų | 43 | 79.2 Ų | 79.2 | 30% | 0.301 | 45% | 0.448 | S | S | . | . | trans | -82.9 | 131.8 | 179.4 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | N238 S243 | N238-S241 PolarHBondContact O-N 2.89Å; S241-S243 PolarHBondContact OG-OG 2.87Å | ||
| 242 | C | 57.9 | Low | 64.6 | Low | 83 Ų | 83 | 75.6 Ų | 75.6 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | trans | -87.9 | 2.5 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 114.3 | Q244 W251 | C242-Q244 PolarHBondContact O-N 2.75Å; C242-W251 VanDerWaalsContact SG-CZ2 3.56Å; C242-W251 PolarHBondContact SG-NE1 3.16Å; C242-W251 VanDerWaalsContact SG-NE1 3.44Å | ||
| 243 | S | 58.2 | Low | 66 | Low | 102 Ų | 102 | 68.4 Ų | 68.4 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | trans | -88.2 | 6.8 | -165.2 | 65 | 0 | 0 | 0 | 0 | 116.3 | S241 | S241-S243 PolarHBondContact OG-OG 2.87Š| ||
| 244 | Q | 61.2 | Low | 67.1 | Low | 58 Ų | 58 | 67.3 Ų | 67.3 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -116.9 | 153.6 | -176.5 | -86.2 | 167.8 | -28.7 | 0 | 0 | 112.3 | D233 C242 H246 C247 | D233-Q244 PolarHBondContact OD1-NE2 3.07Å; C242-Q244 PolarHBondContact O-N 2.75Å; Q244-H246 PolarHBondContact O-N 2.77Å; Q244-C247 WeakPolarHBondContact O-CB 3.31Å; Q244-C247 PolarHBondContact O-N 2.85Å; Q244-C247 VanDerWaalsContact O-N 3.09Å |
| 245 | S | 60.1 | Low | 68 | Low | 103 Ų | 103 | 64.2 Ų | 64.2 | 72% | 0.72 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -30.1 | -178.8 | 46.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 246 | H | 65.4 | Low | 69.3 | Low | 105 Ų | 105 | 67.5 Ų | 67.5 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 22.1 | -177.5 | -60.8 | -63.4 | 0 | 0 | 0 | 114.8 | Q244 C248 T249 R250 | Q244-H246 PolarHBondContact O-N 2.77Å; H246-C248 PolarHBondContact O-N 2.8Å; H246-T249 PolarHBondContact O-N 3.3Å; H246-R250 WeakPolarHBondContact O-CG 3.48Å; H246-R250 PolarHBondContact O-N 3.3Å; H246-R250 VanDerWaalsContact O-N 3.1Å |
| 247 | C | 69.2 | Low | 70.4 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 22% | 0.223 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -42.6 | -57.9 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 113.4 | Q244 T249 R250 W251 | Q244-C247 WeakPolarHBondContact O-CB 3.31Å; Q244-C247 PolarHBondContact O-N 2.85Å; Q244-C247 VanDerWaalsContact O-N 3.09Å; C247-T249 PolarHBondContact O-N 3.21Å; C247-R250 PolarHBondContact O-N 2.91Å; C247-W251 PolarHBondContact O-N 2.68Å |
| 248 | C | 73.1 | Confident | 71.5 | Confident | 101 Ų | 101 | 63.2 Ų | 63.2 | 68% | 0.682 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.4 | -39.7 | -176 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | H246 S252 | H246-C248 PolarHBondContact O-N 2.8Å; C248-S252 WeakPolarHBondContact O-CB 3.08Å; C248-S252 PolarHBondContact O-N 3.35Å; C248-S252 PolarHBondContact O-OG 3.19Å |
| 249 | T | 76.6 | Confident | 72.4 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 59% | 0.589 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.3 | -40.8 | 178.6 | -51 | 0 | 0 | 0 | 0 | 110.8 | H246 C247 S252 A253 | H246-T249 PolarHBondContact O-N 3.3Å; C247-T249 PolarHBondContact O-N 3.21Å; T249-S252 PolarHBondContact O-N 3.11Å; T249-A253 WeakPolarHBondContact O-CB 3.1Å; T249-A253 PolarHBondContact O-N 2.92Å |
| 250 | R | 78.3 | Confident | 73.4 | Confident | 20 Ų | 20 | 72 Ų | 72 | 8% | 0.075 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 178.7 | -68 | 176.7 | 67.9 | -172.5 | 2 | 111.9 | F224 C235 N238 H246 C247 S252 A253 M254 | F224-R250 HydrophobicContact CE1-CB 4.23Å; F224-R250 HydrophobicContact CE1-CG 4.08Å; F224-R250 HydrophobicContact CZ-CB 3.89Å; F224-R250 HydrophobicContact CZ-CG 4.13Å; C235-R250 PolarHBondContact O-NH2 2.99Å; C235-R250 PolarHBondContact SG-NE 3.16Å; C235-R250 PolarHBondContact SG-NH2 2.99Å; N238-R250 PolarHBondContact O-NH2 2.78Å; H246-R250 WeakPolarHBondContact O-CG 3.48Å; H246-R250 PolarHBondContact O-N 3.3Å; H246-R250 VanDerWaalsContact O-N 3.1Å; C247-R250 PolarHBondContact O-N 2.91Å; R250-S252 VanDerWaalsContact C-N 3.33Å; R250-S252 PolarHBondContact O-N 3.18Å; R250-A253 PolarHBondContact O-N 3.33Å; R250-M254 VanDerWaalsContact O-CG 3.31Å; R250-M254 WeakPolarHBondContact O-CG 3.39Å; R250-M254 PolarHBondContact O-N 2.67Å |
| 251 | W | 81.2 | Confident | 74.5 | Confident | 124 Ų | 124 | 71.4 Ų | 71.4 | 47% | 0.47 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 173.1 | -74.2 | 107.2 | 0 | 0 | 0 | 112.6 | C242 C247 M254 G255 | C242-W251 VanDerWaalsContact SG-CZ2 3.56Å; C242-W251 PolarHBondContact SG-NE1 3.16Å; C242-W251 VanDerWaalsContact SG-NE1 3.44Å; C247-W251 PolarHBondContact O-N 2.68Å; W251-M254 PolarHBondContact O-N 2.94Å; W251-G255 PolarHBondContact O-N 3.2Å |
| 252 | S | 79.8 | Confident | 75.4 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 173.8 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | C248 T249 R250 G255 V256 | C248-S252 WeakPolarHBondContact O-CB 3.08Å; C248-S252 PolarHBondContact O-N 3.35Å; C248-S252 PolarHBondContact O-OG 3.19Å; T249-S252 PolarHBondContact O-N 3.11Å; R250-S252 VanDerWaalsContact C-N 3.33Å; R250-S252 PolarHBondContact O-N 3.18Å; S252-G255 PolarHBondContact O-N 2.91Å; S252-V256 WeakPolarHBondContact O-CG2 3.41Å; S252-V256 PolarHBondContact O-N 3.44Å |
| 253 | A | 81.4 | Confident | 76.5 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 24% | 0.24 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | F224 T249 R250 G255 V256 V257 | F224-A253 HydrophobicContact CE1-CB 4.26Å; T249-A253 WeakPolarHBondContact O-CB 3.1Å; T249-A253 PolarHBondContact O-N 2.92Å; R250-A253 PolarHBondContact O-N 3.33Å; A253-G255 VanDerWaalsContact C-N 3.33Å; A253-G255 PolarHBondContact O-N 3.38Å; A253-V256 PolarHBondContact O-N 2.87Å; A253-V257 WeakPolarHBondContact O-CB 3.45Å; A253-V257 VanDerWaalsContact O-CG2 3.24Å; A253-V257 WeakPolarHBondContact O-CG2 3.08Å; A253-V257 PolarHBondContact O-N 3.07Å |
| 254 | M | 80.8 | Confident | 77.6 | Confident | 22 Ų | 22 | 67 Ų | 67 | 11% | 0.108 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 173.2 | -67.4 | -57.4 | 83.3 | 0 | 0 | 112.4 | V220 F224 R250 W251 S258 | V220-M254 HydrophobicContact CB-CE 4.06Å; V220-M254 HydrophobicContact CB-SD 4.06Å; V220-M254 HydrophobicContact CG1-CE 3.68Å; V220-M254 HydrophobicContact CG1-SD 3.34Å; V220-M254 WeakPolarHBondContact CG1-SD 3.29Å; V220-M254 HydrophobicContact CG2-CE 3.61Å; V220-M254 HydrophobicContact CG2-SD 3.6Å; V220-M254 VanDerWaalsContact CG2-SD 3.6Å; F224-M254 HydrophobicContact CD1-CE 4.48Å; F224-M254 HydrophobicContact CD2-CE 4.32Å; F224-M254 HydrophobicContact CE1-CE 3.75Å; F224-M254 HydrophobicContact CE2-CE 3.55Å; F224-M254 HydrophobicContact CE2-CG 4.32Å; F224-M254 HydrophobicContact CE2-SD 3.73Å; F224-M254 HydrophobicContact CZ-CE 3.23Å; F224-M254 HydrophobicContact CZ-CG 3.98Å; F224-M254 HydrophobicContact CZ-SD 3.81Å; R250-M254 VanDerWaalsContact O-CG 3.31Å; R250-M254 WeakPolarHBondContact O-CG 3.39Å; R250-M254 PolarHBondContact O-N 2.67Å; W251-M254 PolarHBondContact O-N 2.94Å; M254-S258 VanDerWaalsContact O-CB 3.28Å; M254-S258 WeakPolarHBondContact O-CB 3.46Å; M254-S258 PolarHBondContact O-N 3Å; M254-S258 PolarHBondContact O-OG 3.44Å |
| 255 | G | 82.6 | Confident | 78.5 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 37% | 0.371 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.4 | -52 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W251 S252 A253 S258 L259 | W251-G255 PolarHBondContact O-N 3.2Å; S252-G255 PolarHBondContact O-N 2.91Å; A253-G255 VanDerWaalsContact C-N 3.33Å; A253-G255 PolarHBondContact O-N 3.38Å; G255-S258 WeakPolarHBondContact O-CB 3.09Å; G255-S258 PolarHBondContact O-N 3.34Å; G255-L259 PolarHBondContact O-N 2.99Å |
| 256 | V | 84.8 | Confident | 79.6 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 178.4 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | S252 A253 S258 L259 F260 | S252-V256 WeakPolarHBondContact O-CG2 3.41Å; S252-V256 PolarHBondContact O-N 3.44Å; A253-V256 PolarHBondContact O-N 2.87Å; V256-S258 VanDerWaalsContact C-N 3.27Å; V256-S258 PolarHBondContact O-N 3.2Å; V256-L259 WeakPolarHBondContact O-CB 3.41Å; V256-L259 PolarHBondContact O-N 3.44Å; V256-L259 VanDerWaalsContact O-N 3.11Å; V256-F260 HydrophobicContact CG1-CD2 4.28Å; V256-F260 HydrophobicContact CG1-CE2 3.8Å; V256-F260 WeakPolarHBondContact O-CD2 3.14Å |
| 257 | V | 83.1 | Confident | 80.5 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | V220 L223 A253 L259 F260 L261 L264 | V220-V257 HydrophobicContact CG2-CG1 4.19Å; L223-V257 HydrophobicContact CD2-CG2 3.51Å; A253-V257 WeakPolarHBondContact O-CB 3.45Å; A253-V257 VanDerWaalsContact O-CG2 3.24Å; A253-V257 WeakPolarHBondContact O-CG2 3.08Å; A253-V257 PolarHBondContact O-N 3.07Å; V257-L259 VanDerWaalsContact C-N 3.28Å; V257-L259 PolarHBondContact O-N 2.78Å; V257-F260 PolarHBondContact O-N 3.01Å; V257-F260 VanDerWaalsContact O-N 3.16Å; V257-L261 HydrophobicContact CG1-CD1 3.85Å; V257-L261 WeakPolarHBondContact O-CB 3.04Å; V257-L261 PolarHBondContact O-N 3.04Å; V257-L264 HydrophobicContact CB-CD1 4.25Å; V257-L264 HydrophobicContact CG1-CD1 3.61Å |
| 258 | S | 84 | Confident | 81.1 | Confident | 19 Ų | 19 | 71.4 Ų | 71.4 | 13% | 0.133 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.7 | -23.8 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 114.2 | M254 G255 V256 L261 | M254-S258 VanDerWaalsContact O-CB 3.28Å; M254-S258 WeakPolarHBondContact O-CB 3.46Å; M254-S258 PolarHBondContact O-N 3Å; M254-S258 PolarHBondContact O-OG 3.44Å; G255-S258 WeakPolarHBondContact O-CB 3.09Å; G255-S258 PolarHBondContact O-N 3.34Å; V256-S258 VanDerWaalsContact C-N 3.27Å; V256-S258 PolarHBondContact O-N 3.2Å; S258-L261 CarbonylContact O-C 3.42Å |
| 259 | L | 82 | Confident | 81.7 | Confident | 135 Ų | 135 | 70.2 Ų | 70.2 | 71% | 0.707 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -70.3 | -35.2 | 172.4 | -64.4 | 172.1 | 0 | 0 | 0 | 111.7 | G255 V256 V257 | G255-L259 PolarHBondContact O-N 2.99Å; V256-L259 WeakPolarHBondContact O-CB 3.41Å; V256-L259 PolarHBondContact O-N 3.44Å; V256-L259 VanDerWaalsContact O-N 3.11Å; V257-L259 VanDerWaalsContact C-N 3.28Å; V257-L259 PolarHBondContact O-N 2.78Å |
| 260 | F | 80.6 | Confident | 82 | Confident | 164 Ų | 164 | 67 Ų | 67 | 72% | 0.719 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -84.8 | -26.9 | 176.6 | -62.5 | -70.7 | 0 | 0 | 0 | 113 | V256 V257 | V256-F260 HydrophobicContact CG1-CD2 4.28Å; V256-F260 HydrophobicContact CG1-CE2 3.8Å; V256-F260 WeakPolarHBondContact O-CD2 3.14Å; V257-F260 PolarHBondContact O-N 3.01Å; V257-F260 VanDerWaalsContact O-N 3.16Å |
| 261 | L | 82.4 | Confident | 82.3 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | trans | -126.3 | 78.4 | -176.4 | -69.7 | 173.5 | 0 | 0 | 0 | 110.3 | C216 C219 V257 S258 C263 L264 | C216-L261 HydrophobicContact CB-CB 4.35Å; C216-L261 HydrophobicContact CB-CD1 4.04Å; C216-L261 HydrophobicContact CB-CD2 4.28Å; C216-L261 HydrophobicContact CB-CG 4.47Å; C219-L261 HydrophobicContact CB-CD1 3.79Å; V257-L261 HydrophobicContact CG1-CD1 3.85Å; V257-L261 WeakPolarHBondContact O-CB 3.04Å; V257-L261 PolarHBondContact O-N 3.04Å; S258-L261 CarbonylContact O-C 3.42Å; L261-C263 PolarHBondContact O-N 2.92Å; L261-L264 HydrophobicContact CB-CD1 3.9Å; L261-L264 HydrophobicContact CB-CG 4.24Å; L261-L264 WeakPolarHBondContact O-CB 3.38Å; L261-L264 PolarHBondContact O-N 2.85Å | ||
| 262 | P | 79.9 | Confident | 82.4 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -62.2 | -17.5 | -179.6 | 25.2 | -35 | 0 | 0 | 0 | 113.4 | L264 W265 | P262-L264 PolarHBondContact O-N 3.42Å; P262-W265 PolarHBondContact O-N 3.43Å; P262-W265 VanDerWaalsContact O-N 3.16Å |
| 263 | C | 82.4 | Confident | 82.6 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 21% | 0.209 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -52.7 | -28.1 | 167.3 | 40.9 | 0 | 0 | 0 | 0 | 113.6 | T215 C216 L261 W265 C266 | T215-C263 WeakPolarHBondContact CB-O 3.36Å; T215-C263 CarbonylContact O-C 3.36Å; C216-C263 HydrophobicContact CB-CB 4.16Å; C216-C263 WeakPolarHBondContact CB-SG 3.29Å; C216-C263 WeakPolarHBondContact SG-CB 3.1Å; C216-C263 CovalentContact SG-SG 2.04Å; C216-C263 PolarHBondContact SG-SG 3Å; L261-C263 PolarHBondContact O-N 2.92Å; C263-W265 VanDerWaalsContact C-N 3.33Å; C263-W265 PolarHBondContact O-N 2.88Å; C263-C266 VanDerWaalsContact O-CB 3.31Å; C263-C266 WeakPolarHBondContact O-CB 3.36Å; C263-C266 PolarHBondContact O-N 3.44Å |
| 264 | L | 80.7 | Confident | 82.7 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -65.8 | -32 | 178.2 | -75.1 | 166.7 | 0 | 0 | 0 | 113.2 | T215 V217 V220 V257 L261 P262 C266 Y267 | T215-L264 WeakPolarHBondContact O-CA 3.42Å; T215-L264 WeakPolarHBondContact O-CD2 3.45Å; T215-L264 PolarHBondContact O-N 3.41Å; V217-L264 HydrophobicContact CB-CD2 4.4Å; V217-L264 HydrophobicContact CG2-CD2 3.56Å; V220-L264 HydrophobicContact CB-CD2 4.49Å; V220-L264 HydrophobicContact CG2-CD1 3.78Å; V220-L264 HydrophobicContact CG2-CD2 3.64Å; V220-L264 HydrophobicContact CG2-CG 4.41Å; V257-L264 HydrophobicContact CB-CD1 4.25Å; V257-L264 HydrophobicContact CG1-CD1 3.61Å; L261-L264 HydrophobicContact CB-CD1 3.9Å; L261-L264 HydrophobicContact CB-CG 4.24Å; L261-L264 WeakPolarHBondContact O-CB 3.38Å; L261-L264 PolarHBondContact O-N 2.85Å; P262-L264 PolarHBondContact O-N 3.42Å; L264-C266 PolarHBondContact O-N 2.85Å; L264-Y267 WeakPolarHBondContact O-CB 3.4Å; L264-Y267 PolarHBondContact O-N 3.14Å |
| 265 | W | 79.5 | Confident | 82.9 | Confident | 178 Ų | 178 | 71.2 Ų | 71.2 | 67% | 0.674 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -66 | -24.8 | 174.1 | -68.7 | 3 | 0 | 0 | 0 | 112 | P262 C263 Y267 P269 | P262-W265 PolarHBondContact O-N 3.43Å; P262-W265 VanDerWaalsContact O-N 3.16Å; C263-W265 VanDerWaalsContact C-N 3.33Å; C263-W265 PolarHBondContact O-N 2.88Å; W265-Y267 VanDerWaalsContact C-N 3.31Å; W265-P269 WeakPolarHBondContact O-CD 3.4Å |
| 266 | C | 83.1 | Confident | 83 | Confident | 71 Ų | 71 | 75 Ų | 75 | 48% | 0.48 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -77.9 | -12.6 | 173.9 | -59.2 | 0 | 0 | 0 | 0 | 113 | T215 C263 L264 P269 A270 | T215-C266 HydrophobicContact CG2-CB 4.26Å; C263-C266 VanDerWaalsContact O-CB 3.31Å; C263-C266 WeakPolarHBondContact O-CB 3.36Å; C263-C266 PolarHBondContact O-N 3.44Å; L264-C266 PolarHBondContact O-N 2.85Å; C266-P269 WeakPolarHBondContact O-CD 3.41Å; C266-P269 WeakPolarHBondContact O-CG 3.34Å; C266-A270 WeakPolarHBondContact O-CB 3.28Å; C266-A270 PolarHBondContact O-N 2.87Å |
| 267 | Y | 84.6 | Confident | 82.9 | Confident | 15 Ų | 15 | 74.7 Ų | 74.7 | 6% | 0.059 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63 | -48 | 177.2 | 180 | -122.7 | 0 | 0 | 0 | 113.2 | V211 T215 V217 L264 W265 A270 K271 | V211-Y267 HydrophobicContact CG1-CD2 3.74Å; V211-Y267 HydrophobicContact CG1-CE2 4Å; T215-Y267 VanDerWaalsContact OG1-CD2 3.29Å; T215-Y267 WeakPolarHBondContact OG1-CD2 3.5Å; V217-Y267 HydrophobicContact CB-CD2 4.31Å; V217-Y267 HydrophobicContact CB-CE2 4.23Å; V217-Y267 HydrophobicContact CG1-CE2 4.22Å; V217-Y267 HydrophobicContact CG2-CD1 3.74Å; V217-Y267 HydrophobicContact CG2-CD2 3.48Å; V217-Y267 VanDerWaalsContact CG2-CD2 3.48Å; V217-Y267 HydrophobicContact CG2-CE1 4.04Å; V217-Y267 HydrophobicContact CG2-CE2 3.77Å; V217-Y267 HydrophobicContact CG2-CG 3.42Å; V217-Y267 VanDerWaalsContact CG2-CG 3.42Å; L264-Y267 WeakPolarHBondContact O-CB 3.4Å; L264-Y267 PolarHBondContact O-N 3.14Å; W265-Y267 VanDerWaalsContact C-N 3.31Å; Y267-A270 PolarHBondContact O-N 3.46Å; Y267-K271 HydrophobicContact CE1-CD 3.9Å; Y267-K271 HydrophobicContact CE2-CD 4.12Å; Y267-K271 WeakPolarHBondContact O-CB 3.19Å; Y267-K271 PolarHBondContact O-N 3.29Å; Y267-K271 PolarHBondContact OH-NZ 2.88Å |
| 268 | L | 82.9 | Confident | 83 | Confident | 127 Ų | 127 | 76.7 Ų | 76.7 | 67% | 0.665 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.4 | -52.5 | -179.5 | -67.1 | 172.5 | 0 | 0 | 0 | 112.4 | G272 | L268-G272 PolarHBondContact O-N 2.71Å |
| 269 | P | 84.6 | Confident | 82.9 | Confident | 77 Ų | 77 | 77.3 Ų | 77.3 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 175.3 | 25.5 | -32.7 | 0 | 0 | 0 | 112.1 | W265 C266 K271 G272 C273 | W265-P269 WeakPolarHBondContact O-CD 3.4Å; C266-P269 WeakPolarHBondContact O-CD 3.41Å; C266-P269 WeakPolarHBondContact O-CG 3.34Å; P269-K271 PolarHBondContact O-N 3.39Å; P269-G272 CarbonylContact O-C 3.56Å; P269-G272 WeakPolarHBondContact O-CA 3.42Å; P269-G272 PolarHBondContact O-N 3.3Å; P269-G272 VanDerWaalsContact O-N 3.15Å; P269-C273 WeakPolarHBondContact O-CB 3.39Å; P269-C273 PolarHBondContact O-N 3.37Å; P269-C273 PolarHBondContact O-SG 3.2Å |
| 270 | A | 83.3 | Confident | 82.9 | Confident | 27 Ų | 27 | 74.2 Ų | 74.2 | 22% | 0.223 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V211 T215 C266 Y267 G272 C273 L274 | V211-A270 HydrophobicContact CG1-CB 3.91Å; V211-A270 HydrophobicContact CG2-CB 4.01Å; T215-A270 HydrophobicContact CG2-CB 4.27Å; C266-A270 WeakPolarHBondContact O-CB 3.28Å; C266-A270 PolarHBondContact O-N 2.87Å; Y267-A270 PolarHBondContact O-N 3.46Å; A270-G272 VanDerWaalsContact C-N 3.34Å; A270-C273 PolarHBondContact O-N 2.92Å; A270-L274 WeakPolarHBondContact O-CG 3.49Å; A270-L274 PolarHBondContact O-N 3.18Å |
| 271 | K | 84.1 | Confident | 83 | Confident | 74 Ų | 74 | 69 Ų | 69 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66 | -36.6 | 174.3 | -168.6 | 174.8 | -168.4 | 170.3 | 0 | 111.6 | Y267 P269 L274 K275 | Y267-K271 HydrophobicContact CE1-CD 3.9Å; Y267-K271 HydrophobicContact CE2-CD 4.12Å; Y267-K271 WeakPolarHBondContact O-CB 3.19Å; Y267-K271 PolarHBondContact O-N 3.29Å; Y267-K271 PolarHBondContact OH-NZ 2.88Å; P269-K271 PolarHBondContact O-N 3.39Å; K271-L274 PolarHBondContact O-N 3.1Å; K271-K275 WeakPolarHBondContact O-CG 3.29Å; K271-K275 PolarHBondContact O-N 3.09Å |
| 272 | G | 84.2 | Confident | 83.1 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 40% | 0.402 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.1 | -50.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L268 P269 A270 L274 K275 L276 | L268-G272 PolarHBondContact O-N 2.71Å; P269-G272 CarbonylContact O-C 3.56Å; P269-G272 WeakPolarHBondContact O-CA 3.42Å; P269-G272 PolarHBondContact O-N 3.3Å; P269-G272 VanDerWaalsContact O-N 3.15Å; A270-G272 VanDerWaalsContact C-N 3.34Å; G272-L274 PolarHBondContact O-N 3.31Å; G272-K275 PolarHBondContact O-N 3.06Å; G272-L276 WeakPolarHBondContact O-CB 3.42Å; G272-L276 PolarHBondContact O-N 2.78Å |
| 273 | C | 84.1 | Confident | 83 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 51% | 0.507 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 174.6 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | P269 A270 K275 L276 C277 | P269-C273 WeakPolarHBondContact O-CB 3.39Å; P269-C273 PolarHBondContact O-N 3.37Å; P269-C273 PolarHBondContact O-SG 3.2Å; A270-C273 PolarHBondContact O-N 2.92Å; C273-K275 PolarHBondContact O-N 2.95Å; C273-L276 PolarHBondContact O-N 2.97Å; C273-C277 WeakPolarHBondContact O-CB 3.34Å; C273-C277 PolarHBondContact O-N 3.32Å; C273-C277 PolarHBondContact O-SG 3.3Å |
| 274 | L | 83.3 | Confident | 82.9 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 17% | 0.168 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 174.9 | -73.4 | -173.1 | 0 | 0 | 0 | 112.5 | A207 V211 A270 K271 G272 L276 C277 Q278 | A207-L274 HydrophobicContact CB-CD1 4.42Å; A207-L274 HydrophobicContact CB-CD2 3.81Å; V211-L274 HydrophobicContact CB-CD1 4.02Å; V211-L274 HydrophobicContact CG2-CD1 3.53Å; V211-L274 HydrophobicContact CG2-CG 3.98Å; A270-L274 WeakPolarHBondContact O-CG 3.49Å; A270-L274 PolarHBondContact O-N 3.18Å; K271-L274 PolarHBondContact O-N 3.1Å; G272-L274 PolarHBondContact O-N 3.31Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 2.72Å; L274-C277 PolarHBondContact O-N 2.85Å; L274-Q278 VanDerWaalsContact O-CB 3.29Å; L274-Q278 WeakPolarHBondContact O-CB 3.41Å; L274-Q278 PolarHBondContact O-N 3.17Å |
| 275 | K | 84.8 | Confident | 82.6 | Confident | 138 Ų | 138 | 78.1 Ų | 78.1 | 60% | 0.6 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.1 | -35.3 | 176.9 | -69.9 | -56.5 | -174.5 | 81.2 | 0 | 112.2 | K271 G272 C273 G279 | K271-K275 WeakPolarHBondContact O-CG 3.29Å; K271-K275 PolarHBondContact O-N 3.09Å; G272-K275 PolarHBondContact O-N 3.06Å; C273-K275 PolarHBondContact O-N 2.95Å; K275-G279 PolarHBondContact O-N 2.73Å |
| 276 | L | 85.5 | Confident | 82.6 | Confident | 117 Ų | 117 | 71.5 Ų | 71.5 | 61% | 0.613 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.9 | -48.9 | 174.3 | -175.4 | 64.5 | 0 | 0 | 0 | 111.2 | G272 C273 L274 Q278 G279 C280 | G272-L276 WeakPolarHBondContact O-CB 3.42Å; G272-L276 PolarHBondContact O-N 2.78Å; C273-L276 PolarHBondContact O-N 2.97Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 2.72Å; L276-Q278 VanDerWaalsContact C-N 3.35Å; L276-Q278 PolarHBondContact O-N 2.98Å; L276-G279 CarbonylContact O-C 3.52Å; L276-G279 WeakPolarHBondContact O-CA 3.21Å; L276-G279 PolarHBondContact O-N 3.34Å; L276-G279 VanDerWaalsContact O-N 3.09Å; L276-C280 PolarHBondContact O-N 3.3Å; L276-C280 PolarHBondContact O-SG 2.99Å; L276-C280 VanDerWaalsContact O-SG 3.38Å |
| 277 | C | 82.3 | Confident | 82.2 | Confident | 72 Ų | 72 | 71.7 Ų | 71.7 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60 | -42 | 176 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | C273 L274 G279 C280 Y281 | C273-C277 WeakPolarHBondContact O-CB 3.34Å; C273-C277 PolarHBondContact O-N 3.32Å; C273-C277 PolarHBondContact O-SG 3.3Å; L274-C277 PolarHBondContact O-N 2.85Å; C277-G279 VanDerWaalsContact C-N 3.34Å; C277-C280 PolarHBondContact O-N 3.47Å; C277-Y281 VanDerWaalsContact O-CB 3.24Å; C277-Y281 WeakPolarHBondContact O-CB 3.42Å; C277-Y281 PolarHBondContact O-N 3.03Å |
| 278 | Q | 84.6 | Confident | 82.1 | Confident | 64 Ų | 64 | 71 Ų | 71 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 173.3 | -172.8 | 159.4 | -32.9 | 0 | 0 | 111.9 | L193 L274 L276 Y281 D282 | L193-Q278 HydrophobicContact CD1-CB 3.76Å; L193-Q278 HydrophobicContact CD1-CG 4.42Å; L193-Q278 HydrophobicContact CD2-CB 4.48Å; L193-Q278 HydrophobicContact CG-CB 3.72Å; L193-Q278 HydrophobicContact CG-CG 3.93Å; L274-Q278 VanDerWaalsContact O-CB 3.29Å; L274-Q278 WeakPolarHBondContact O-CB 3.41Å; L274-Q278 PolarHBondContact O-N 3.17Å; L276-Q278 VanDerWaalsContact C-N 3.35Å; L276-Q278 PolarHBondContact O-N 2.98Å; Q278-Y281 PolarHBondContact O-N 3.29Å; Q278-D282 WeakPolarHBondContact O-CB 3.31Å; Q278-D282 PolarHBondContact O-N 3.36Å |
| 279 | G | 81.8 | Confident | 82.2 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.7 | -53.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K275 L276 C277 Y281 D282 R283 | K275-G279 PolarHBondContact O-N 2.73Å; L276-G279 CarbonylContact O-C 3.52Å; L276-G279 WeakPolarHBondContact O-CA 3.21Å; L276-G279 PolarHBondContact O-N 3.34Å; L276-G279 VanDerWaalsContact O-N 3.09Å; C277-G279 VanDerWaalsContact C-N 3.34Å; G279-Y281 PolarHBondContact O-N 2.94Å; G279-D282 PolarHBondContact O-N 3.05Å; G279-R283 WeakPolarHBondContact O-CG 3.47Å; G279-R283 PolarHBondContact O-N 3.27Å |
| 280 | C | 82.9 | Confident | 82 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 47% | 0.473 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.2 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | L276 C277 R283 V284 | L276-C280 PolarHBondContact O-N 3.3Å; L276-C280 PolarHBondContact O-SG 2.99Å; L276-C280 VanDerWaalsContact O-SG 3.38Å; C277-C280 PolarHBondContact O-N 3.47Å; C280-R283 WeakPolarHBondContact O-CB 3.24Å; C280-R283 PolarHBondContact O-N 2.68Å; C280-R283 VanDerWaalsContact O-N 3.11Å; C280-V284 WeakPolarHBondContact O-CG2 3.34Å; C280-V284 PolarHBondContact O-N 3.12Å |
| 281 | Y | 82.6 | Confident | 81.9 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 175.5 | -178.4 | -102.7 | 0 | 0 | 0 | 111.6 | R191 L193 P194 W197 C277 Q278 G279 R283 V284 N285 | R191-Y281 HydrophobicContact CB-CE1 4.3Å; L193-Y281 HydrophobicContact CD2-CD1 4.19Å; L193-Y281 HydrophobicContact CD2-CG 3.98Å; P194-Y281 HydrophobicContact CG-CE1 4.43Å; W197-Y281 HydrophobicContact CH2-CD2 4.31Å; W197-Y281 AromaticContact CZ2-CD2 3.9Å; W197-Y281 HydrophobicContact CZ2-CD2 3.9Å; W197-Y281 AromaticContact CZ2-CE2 3.96Å; W197-Y281 HydrophobicContact CZ2-CE2 3.96Å; C277-Y281 VanDerWaalsContact O-CB 3.24Å; C277-Y281 WeakPolarHBondContact O-CB 3.42Å; C277-Y281 PolarHBondContact O-N 3.03Å; Q278-Y281 PolarHBondContact O-N 3.29Å; G279-Y281 PolarHBondContact O-N 2.94Å; Y281-R283 VanDerWaalsContact C-N 3.28Å; Y281-R283 PolarHBondContact O-N 2.63Å; Y281-V284 PolarHBondContact O-N 3.23Å; Y281-N285 HydrophobicContact CE1-CB 4.38Å; Y281-N285 HydrophobicContact CE2-CB 4.12Å; Y281-N285 VanDerWaalsContact CE2-ND2 3.32Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.44Å; Y281-N285 WeakPolarHBondContact O-CB 3.39Å; Y281-N285 PolarHBondContact O-N 3.13Å; Y281-N285 PolarHBondContact OH-ND2 3.44Å; Y281-N285 VanDerWaalsContact OH-ND2 3.11Å |
| 282 | D | 83.4 | Confident | 81.6 | Confident | 15 Ų | 15 | 74 Ų | 74 | 8% | 0.08 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.6 | -33.1 | 172.4 | -178.3 | 66.7 | 0 | 0 | 0 | 112.6 | P190 R191 Q278 G279 V284 R286 | P190-D282 WeakPolarHBondContact CA-OD1 3.49Å; R191-D282 PolarHBondContact N-OD1 3.19Å; Q278-D282 WeakPolarHBondContact O-CB 3.31Å; Q278-D282 PolarHBondContact O-N 3.36Å; G279-D282 PolarHBondContact O-N 3.05Å; D282-V284 VanDerWaalsContact C-N 3.34Å; D282-V284 PolarHBondContact O-N 3.2Å; D282-R286 WeakPolarHBondContact O-CB 3.24Å; D282-R286 PolarHBondContact O-N 3.35Å; D282-R286 WeakPolarHBondContact OD1-CD 3.32Å; D282-R286 IonicContact OD1-NE 3.74Å; D282-R286 IonicContact OD1-NH1 3.59Å; D282-R286 IonicContact OD2-CZ 3.58Å; D282-R286 IonicContact OD2-NH1 2.68Å; D282-R286 PolarHBondContact OD2-NH1 2.94Å |
| 283 | R | 79.3 | Confident | 81.2 | Confident | 157 Ų | 157 | 80.9 Ų | 80.9 | 59% | 0.592 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.4 | -32.8 | 176.7 | -67.9 | -71.8 | 169.3 | 113.8 | -1.8 | 112.8 | G279 C280 Y281 R290 | G279-R283 WeakPolarHBondContact O-CG 3.47Å; G279-R283 PolarHBondContact O-N 3.27Å; C280-R283 WeakPolarHBondContact O-CB 3.24Å; C280-R283 PolarHBondContact O-N 2.68Å; C280-R283 VanDerWaalsContact O-N 3.11Å; Y281-R283 VanDerWaalsContact C-N 3.28Å; Y281-R283 PolarHBondContact O-N 2.63Å; R283-R290 VanDerWaalsContact CD-NH1 3.34Å; R283-R290 VanDerWaalsContact CZ-NH2 3.28Å |
| 284 | V | 79.8 | Confident | 80.8 | Confident | 115 Ų | 115 | 77.9 Ų | 77.9 | 70% | 0.697 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -90.5 | -51.9 | -177.8 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | C280 Y281 D282 | C280-V284 WeakPolarHBondContact O-CG2 3.34Å; C280-V284 PolarHBondContact O-N 3.12Å; Y281-V284 PolarHBondContact O-N 3.23Å; D282-V284 VanDerWaalsContact C-N 3.34Å; D282-V284 PolarHBondContact O-N 3.2Å |
| 285 | N | 75 | Confident | 80.4 | Confident | 90 Ų | 90 | 81.9 Ų | 81.9 | 48% | 0.481 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -86.8 | -2.8 | -171 | -96.1 | 24.1 | 0 | 0 | 0 | 115.3 | Y281 P287 | Y281-N285 HydrophobicContact CE1-CB 4.38Å; Y281-N285 HydrophobicContact CE2-CB 4.12Å; Y281-N285 VanDerWaalsContact CE2-ND2 3.32Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.44Å; Y281-N285 WeakPolarHBondContact O-CB 3.39Å; Y281-N285 PolarHBondContact O-N 3.13Å; Y281-N285 PolarHBondContact OH-ND2 3.44Å; Y281-N285 VanDerWaalsContact OH-ND2 3.11Å; N285-P287 WeakPolarHBondContact O-CD 3.42Å |
| 286 | R | 79.1 | Confident | 80.3 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 15% | 0.147 | 41% | 0.407 | C | S | . | . | trans | -79.5 | 120.1 | -178.9 | -171.2 | -179.7 | -167.7 | 165.3 | -8.9 | 111.5 | K181 C187 T188 D282 | K181-R286 PolarHBondContact NZ-O 3.44Å; C187-R286 WeakPolarHBondContact O-CG 3.36Å; T188-R286 PolarHBondContact O-NE 3.24Å; T188-R286 PolarHBondContact O-NH2 3.3Å; D282-R286 WeakPolarHBondContact O-CB 3.24Å; D282-R286 PolarHBondContact O-N 3.35Å; D282-R286 WeakPolarHBondContact OD1-CD 3.32Å; D282-R286 IonicContact OD1-NE 3.74Å; D282-R286 IonicContact OD1-NH1 3.59Å; D282-R286 IonicContact OD2-CZ 3.58Å; D282-R286 IonicContact OD2-NH1 2.68Å; D282-R286 PolarHBondContact OD2-NH1 2.94Å | ||
| 287 | P | 74.7 | Confident | 79.9 | Confident | 76 Ų | 76 | 75.8 Ų | 75.8 | 49% | 0.494 | 40% | 0.395 | S | S | . | . | trans | -78.7 | -19.3 | -175.6 | 31.5 | -35.5 | 0 | 0 | 0 | 113.4 | K181 N285 | K181-P287 WeakPolarHBondContact CB-O 3.19Å; K181-P287 WeakPolarHBondContact CD-O 3.32Å; N285-P287 WeakPolarHBondContact O-CD 3.42Å | ||
| 288 | G | 82.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -80.9 | 168.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K181 C182 C187 | K181-G288 VanDerWaalsContact CD-O 3.3Å; K181-G288 WeakPolarHBondContact CD-O 3.24Å; C182-G288 CarbonylContact O-C 3.48Å; C182-G288 WeakPolarHBondContact O-CA 3.5Å; C187-G288 VanDerWaalsContact O-CA 3.24Å; C187-G288 WeakPolarHBondContact O-CA 3.4Å; C187-G288 PolarHBondContact O-N 3.17Å |
| 289 | C | 83.8 | Confident | 78.9 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 6% | 0.061 | 40% | 0.398 | C | S | . | . | trans | -74.8 | 158.4 | 178.4 | -156.7 | 0 | 0 | 0 | 0 | 113 | C176 C179 K181 C182 K183 C291 | C176-C289 HydrophobicContact CB-CB 3.73Å; C176-C289 WeakPolarHBondContact CB-SG 3.49Å; C176-C289 PolarHBondContact SG-SG 3.46Å; C179-C289 WeakPolarHBondContact CB-SG 3.44Å; C179-C289 WeakPolarHBondContact SG-CB 3.24Å; C179-C289 CovalentContact SG-SG 2.04Å; C179-C289 PolarHBondContact SG-SG 3.22Å; K181-C289 HydrophobicContact CB-CB 3.96Å; C182-C289 PolarHBondContact O-N 3.3Å; K183-C289 HydrophobicContact CG-CB 4.13Å; C289-C291 VanDerWaalsContact SG-SG 3.66Å | ||
| 290 | R | 80.5 | Confident | 77.8 | Confident | 118 Ų | 118 | 82.8 Ų | 82.8 | 45% | 0.445 | 42% | 0.422 | S | S | . | . | trans | -132.8 | 5.8 | -176.1 | -60.7 | -177.9 | 53.9 | -104.8 | -32 | 113.8 | R283 | R283-R290 VanDerWaalsContact CD-NH1 3.34Å; R283-R290 VanDerWaalsContact CZ-NH2 3.28Å | ||
| 291 | C | 82.4 | Confident | 76.7 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 35% | 0.351 | 43% | 0.432 | S | S | . | . | trans | -68.4 | 135.7 | 175.1 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | C289 S294 | C289-C291 VanDerWaalsContact SG-SG 3.66Å; C291-S294 WeakPolarHBondContact CB-OG 3.44Å | ||
| 292 | K | 78.1 | Confident | 75 | Confident | 190 Ų | 190 | 87.5 Ų | 87.5 | 83% | 0.826 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -81.1 | -31.3 | -177.8 | -73.4 | -173.6 | 173.8 | -174.9 | 0 | 114.2 | ||
| 293 | H | 74.4 | Confident | 73.3 | Confident | 182 Ų | 182 | 92.1 Ų | 92.1 | 84% | 0.843 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -129.7 | 22.8 | -169.9 | -54 | 129 | 0 | 0 | 0 | 113.4 | ||
| 294 | S | 75.4 | Confident | 71.8 | Confident | 13 Ų | 13 | 90.6 Ų | 90.6 | 9% | 0.091 | 50% | 0.497 | C | S | . | . | trans | -83.4 | 145 | -178.2 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | C176 D178 K183 C291 | C176-S294 WeakPolarHBondContact SG-CB 3.23Å; C176-S294 PolarHBondContact SG-OG 2.83Å; D178-S294 WeakPolarHBondContact OD2-CB 3.02Å; K183-S294 WeakPolarHBondContact CE-OG 3.22Å; K183-S294 PolarHBondContact NZ-O 3.42Å; K183-S294 PolarHBondContact NZ-OG 3.21Å; C291-S294 WeakPolarHBondContact CB-OG 3.44Å | ||
| 295 | N | 76.5 | Confident | 70.5 | Confident | 115 Ų | 115 | 89.9 Ų | 89.9 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | trans | -69.5 | 169.8 | 167.5 | -69.3 | -49.6 | 0 | 0 | 0 | 110.9 | E177 K183 | E177-N295 HydrophobicContact CG-CB 4.48Å; E177-N295 WeakPolarHBondContact OE2-CB 3.25Å; K183-N295 PolarHBondContact NZ-O 3.02Å; K183-N295 VanDerWaalsContact NZ-O 3.12Å | ||
| 296 | T | 81 | Confident | 69.2 | Low | 67 Ų | 67 | 91.2 Ų | 91.2 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 113.8 | -172.5 | -44.8 | 0 | 0 | 0 | 0 | 109.7 | Y174 R175 K183 | Y174-T296 HydrophobicContact CD1-CG2 4.22Å; Y174-T296 HydrophobicContact CG-CG2 4.45Å; R175-T296 CarbonylContact O-C 3.51Å; R175-T296 WeakPolarHBondContact O-CA 3.44Å; K183-T296 HydrophobicContact CB-CG2 4.5Å; K183-T296 HydrophobicContact CD-CG2 3.87Å; K183-T296 WeakPolarHBondContact CD-OG1 3.48Å; K183-T296 HydrophobicContact CG-CG2 4.41Å; K183-T296 PolarHBondContact NZ-OG1 2.97Å |
| 297 | V | 78.8 | Confident | 67.7 | Low | 60 Ų | 60 | 100.1 Ų | 100.1 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 135.2 | 177.2 | 170.2 | 0 | 0 | 0 | 0 | 109.9 | R175 E177 | R175-V297 PolarHBondContact N-O 2.78Å; R175-V297 PolarHBondContact O-N 3.35Å; E177-V297 HydrophobicContact CG-CB 4.48Å; E177-V297 HydrophobicContact CG-CG2 3.47Å; E177-V297 VanDerWaalsContact CG-CG2 3.47Å; E177-V297 WeakPolarHBondContact OE1-CG2 3.47Å |
| 298 | C | 76.9 | Confident | 66.1 | Low | 71 Ų | 71 | 103.6 Ų | 103.6 | 48% | 0.48 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 102.2 | 169.7 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | T173 Y174 K300 | T173-C298 WeakPolarHBondContact CG2-SG 3.48Å; Y174-C298 HydrophobicContact CD1-CB 4.43Å; Y174-C298 HydrophobicContact CE1-CB 4.24Å; C298-K300 VanDerWaalsContact C-N 3.33Å; C298-K300 PolarHBondContact O-N 2.9Å |
| 299 | C | 67.8 | Low | 64.5 | Low | 54 Ų | 54 | 113.3 Ų | 113.3 | 37% | 0.365 | 60% | 0.599 | S | S | . | * | trans | -73.2 | 85.2 | 175.7 | -67 | 0 | 0 | 0 | 0 | 110.3 | T173 V301 | T173-C299 VanDerWaalsContact CG2-O 3.23Å; T173-C299 WeakPolarHBondContact CG2-O 3.34Å; T173-C299 PolarHBondContact O-N 3.29Å; C299-V301 PolarHBondContact O-N 3.05Å | ||
| 300 | K | 60 | Low | 62.7 | Low | 190 Ų | 190 | 121.7 Ų | 121.7 | 83% | 0.826 | 64% | 0.637 | S | S | * | * | trans | -61.5 | 105.4 | 177.3 | -168.4 | 162.8 | -174.4 | 171.8 | 0 | 109.9 | C298 | C298-K300 VanDerWaalsContact C-N 3.33Å; C298-K300 PolarHBondContact O-N 2.9Å | ||
| 301 | V | 58.3 | Low | 60.8 | Low | 114 Ų | 114 | 125.2 Ų | 125.2 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | trans | -59.9 | 127.2 | 177.8 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | C299 S303 | C299-V301 PolarHBondContact O-N 3.05Å; V301-S303 PolarHBondContact O-N 3.26Å; V301-S303 VanDerWaalsContact O-N 3.11Å | ||
| 302 | P | 47.8 | Very low | 59.4 | Low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 68% | 0.677 | S | S | * | * | trans | -60.9 | 117.1 | 175.5 | -23.1 | 34 | 0 | 0 | 0 | 109.9 | V304 | P302-V304 PolarHBondContact O-N 3.42Š| ||
| 303 | S | 46.9 | Very low | 58.3 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -68.1 | 98.2 | 170.7 | 51.5 | 0 | 0 | 0 | 0 | 108.5 | V301 P305 | V301-S303 PolarHBondContact O-N 3.26Å; V301-S303 VanDerWaalsContact O-N 3.11Å; S303-P305 WeakPolarHBondContact O-CD 3.42Å | ||
| 304 | V | 49.1 | Very low | 57.5 | Low | 125 Ų | 125 | 127 Ų | 127 | 76% | 0.758 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.5 | 171.4 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | P302 | P302-V304 PolarHBondContact O-N 3.42Š|
| 305 | P | 50.7 | Low | 56.5 | Low | 100 Ų | 100 | 133 Ų | 133 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -65 | 145.4 | 178.3 | 27 | -33.4 | 0 | 0 | 0 | 109.6 | S303 R307 | S303-P305 WeakPolarHBondContact O-CD 3.42Å; P305-R307 PolarHBondContact O-N 3.01Å; P305-R307 VanDerWaalsContact O-N 3.15Å |
| 306 | P | 47.9 | Very low | 55.4 | Low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 122 | 178.5 | 25.7 | -33.3 | 0 | 0 | 0 | 109.3 | N308 | P306-N308 PolarHBondContact O-N 2.99Å; P306-N308 VanDerWaalsContact O-N 3.11Å |
| 307 | R | 47.2 | Very low | 53.9 | Low | 227 Ų | 227 | 137.9 Ų | 137.9 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -64.6 | 112.8 | 167.8 | -76.1 | -175.5 | 172.4 | -174.8 | -3.5 | 107.4 | P305 F309 | P305-R307 PolarHBondContact O-N 3.01Å; P305-R307 VanDerWaalsContact O-N 3.15Å; R307-F309 PolarHBondContact O-N 3.14Å; R307-F309 VanDerWaalsContact O-N 3.17Å | ||
| 308 | N | 42.8 | Very low | 52.3 | Low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -58 | 119.2 | 168 | -71.3 | -61.5 | 0 | 0 | 0 | 108 | P306 E310 | P306-N308 PolarHBondContact O-N 2.99Å; P306-N308 VanDerWaalsContact O-N 3.11Å; N308-E310 PolarHBondContact O-N 3.02Å; N308-E310 VanDerWaalsContact O-N 3.12Å | ||
| 309 | F | 48.4 | Very low | 50.7 | Low | 204 Ų | 204 | 147.6 Ų | 147.6 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -75.4 | 95 | 164.9 | -86.1 | -94.2 | 0 | 0 | 0 | 107.1 | R307 K311 | R307-F309 PolarHBondContact O-N 3.14Å; R307-F309 VanDerWaalsContact O-N 3.17Å; F309-K311 PolarHBondContact O-N 2.76Å | ||
| 310 | E | 45.8 | Very low | 49.5 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131 | 163.7 | -73.7 | -175.1 | 98.9 | 0 | 0 | 108.8 | N308 | N308-E310 PolarHBondContact O-N 3.02Å; N308-E310 VanDerWaalsContact O-N 3.12Å |
| 311 | K | 41.1 | Very low | 48.7 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 126.1 | -175.4 | -169.2 | 179.7 | -176.6 | -174.7 | 0 | 108.2 | F309 | F309-K311 PolarHBondContact O-N 2.76Š|
| 312 | P | 51.9 | Low | 47.9 | Very low | 121 Ų | 121 | 154.7 Ų | 154.7 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 140.3 | 173.7 | -20.3 | 32.4 | 0 | 0 | 0 | 110.7 | ||
| 313 | T | 54.7 | Low | 47.9 | Very low | 213 Ų | 213 | 158.6 Ų | 158.6 | 100% | 1.307 | 84% | 0.844 | S | S | * | * | trans | -82 | 0 | 172.5 | -51 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 313 of 313 residues in 1266 ms
(Link to these results)