| 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 | 43.2 | Very low | 39.8 | Very low | 247 Ų | 247 | 163 Ų | 163 | 100% | 1.217 | 87% | 0.867 | S | S | * | * | 0 | 167.4 | 0 | -71.1 | 176.7 | 173.7 | 0 | 0 | 109 | |||||
| 2 | R | 39.8 | Very low | 40 | Very low | 257 Ų | 257 | 162.4 Ų | 162.4 | 97% | 0.97 | 86% | 0.861 | S | S | * | * | trans | -31.4 | 138.5 | -179.9 | -48.2 | 172.7 | -173 | -149.9 | -0.5 | 115.1 | ||||
| 3 | G | 40.3 | Very low | 40.2 | Very low | 75 Ų | 75 | 159.3 Ų | 159.3 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | cis | 162.9 | 175.1 | -9.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 4 | S | 41.9 | Very low | 40.3 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | trans | 70.4 | 90 | 150.5 | -156.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 5 | L | 37.4 | Very low | 40.1 | Very low | 143 Ų | 143 | 158 Ų | 158 | 75% | 0.749 | 85% | 0.845 | S | S | * | * | 28.7 | 128.2 | 124.1 | -67.6 | 165.6 | 0 | 0 | 0 | 122.9 | |||||
| 6 | R | 36.5 | Very low | 40.1 | Very low | 232 Ų | 232 | 158.2 Ų | 158.2 | 88% | 0.875 | 84% | 0.836 | S | S | * | * | trans | 47.4 | 125.9 | 133.8 | -60.7 | -177.8 | -178.2 | -142.9 | 1.2 | 121.1 | ||||
| 7 | S | 37.7 | Very low | 40.2 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | -167 | 157.4 | 104.1 | -162 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 8 | T | 39.8 | Very low | 40.8 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -109.6 | 139.5 | 175.9 | 50.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 9 | N | 46.1 | Very low | 41.2 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -141.3 | 124.5 | 164.2 | -85.5 | -41.9 | 0 | 0 | 0 | 109.6 | ||||
| 10 | G | 33.8 | Very low | 41 | Very low | 77 Ų | 77 | 154 Ų | 154 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -98.4 | 148.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 11 | W | 41.9 | Very low | 40.9 | Very low | 251 Ų | 251 | 154 Ų | 154 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | trans | -121.6 | 154.2 | 179.2 | -86.3 | 39.5 | 0 | 0 | 0 | 111.3 | ||||
| 12 | I | 41.4 | Very low | 40.7 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -120 | 140.2 | -166.1 | -55.5 | 165.4 | 0 | 0 | 0 | 110.9 | ||||
| 13 | P | 42.5 | Very low | 40.5 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -105.8 | 93.4 | 168.2 | 35.4 | -26.7 | 0 | 0 | 0 | 114 | ||||
| 14 | I | 41.5 | Very low | 40.4 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 8.9 | 124.9 | 132.2 | -71.7 | 168.8 | 0 | 0 | 0 | 119.1 | ||||
| 15 | L | 38.1 | Very low | 40.2 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | 45.4 | 150.5 | 140.7 | -66.7 | 162.2 | 0 | 0 | 0 | 120.3 | ||||
| 16 | K | 40.2 | Very low | 40 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 70% | 0.7 | 79% | 0.789 | S | S | * | * | cis | -155.3 | -175.4 | 20.3 | -128.9 | 176.1 | 173.5 | -77.5 | 0 | 107.4 | ||||
| 17 | D | 41.2 | Very low | 39.7 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 63% | 0.631 | 79% | 0.785 | S | S | * | * | cis | -158.4 | 165.1 | 1.4 | -134.6 | -10.3 | 0 | 0 | 0 | 109 | ||||
| 18 | P | 52.1 | Low | 39.6 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 62% | 0.623 | 78% | 0.782 | S | S | * | * | trans | -117.1 | 173.4 | -176.2 | 41.8 | -32.1 | 0 | 0 | 0 | 116 | ||||
| 19 | L | 47.1 | Very low | 39.3 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 93% | 0.927 | 77% | 0.772 | S | S | * | * | trans | -134.9 | 146.5 | 159.3 | -75.7 | 178.3 | 0 | 0 | 0 | 111.3 | ||||
| 20 | L | 37.7 | Very low | 38.8 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -103.3 | 165.8 | -172.7 | -70.3 | 71.6 | 0 | 0 | 0 | 112.1 | ||||
| 21 | N | 39.1 | Very low | 39.1 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -147.2 | 157.2 | 125.7 | -154.5 | 9.9 | 0 | 0 | 0 | 113.4 | |||||
| 22 | S | 39.5 | Very low | 38.7 | Very low | 84 Ų | 84 | 132 Ų | 132 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | trans | -6.6 | 126.8 | 171.5 | 57.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 23 | S | 35.6 | Very low | 38.8 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | cis | 82.5 | 110.4 | 39.2 | 83 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 24 | G | 38 | Very low | 38.5 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -169.9 | 120.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 25 | A | 37.1 | Very low | 38.5 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -56.1 | 165.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 26 | S | 32.7 | Very low | 38.8 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | -179.8 | 155.4 | -18 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 27 | S | 31.2 | Very low | 38.9 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 75.2 | 154.7 | 157 | -159.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 28 | S | 34.5 | Very low | 39 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 65.1 | 144.7 | 173.5 | -84.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 29 | S | 34.4 | Very low | 38.7 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 56% | 0.559 | 78% | 0.777 | S | S | * | * | cis | 176.9 | 128.3 | -35.9 | 39.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 30 | E | 35.9 | Very low | 38.7 | Very low | 191 Ų | 191 | 132.6 Ų | 132.6 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | 50.4 | 82.8 | 159.6 | 22.1 | -174.9 | 171.1 | 0 | 0 | 117.8 | ||||
| 31 | E | 38.8 | Very low | 39.1 | Very low | 187 Ų | 187 | 131 Ų | 131 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -125.3 | 131.6 | 154.1 | -74.2 | -170.7 | -146 | 0 | 0 | 110.2 | V33 | E31-V33 PolarHBondContact O-N 3.11Š| ||
| 32 | E | 34.1 | Very low | 39.8 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -90.7 | 103.7 | -168.9 | -171.6 | 175.9 | 177.5 | 0 | 0 | 112.5 | H34 | E32-H34 VanDerWaalsContact CD-CE1 3.42Å; E32-H34 PolarHBondContact O-N 3.2Å; E32-H34 IonicContact OE1-CE1 3.36Å; E32-H34 PolarHBondContact OE1-CE1 3.14Å; E32-H34 IonicContact OE1-ND1 3.07Å; E32-H34 IonicContact OE2-CE1 3.94Å | ||
| 33 | V | 42.4 | Very low | 40.5 | Very low | 124 Ų | 124 | 137 Ų | 137 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -85.8 | 91.6 | -179.3 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | E31 I35 | E31-V33 PolarHBondContact O-N 3.11Å; V33-I35 HydrophobicContact CG1-CG1 4.41Å; V33-I35 PolarHBondContact O-N 3.1Å; V33-I35 VanDerWaalsContact O-N 3.09Å | ||
| 34 | H | 36.6 | Very low | 41.5 | Very low | 147 Ų | 147 | 140 Ų | 140 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | trans | -67.3 | 102.6 | 171.3 | -63.3 | -42.6 | 0 | 0 | 0 | 112 | E32 A36 | E32-H34 VanDerWaalsContact CD-CE1 3.42Å; E32-H34 PolarHBondContact O-N 3.2Å; E32-H34 IonicContact OE1-CE1 3.36Å; E32-H34 PolarHBondContact OE1-CE1 3.14Å; E32-H34 IonicContact OE1-ND1 3.07Å; E32-H34 IonicContact OE2-CE1 3.94Å; H34-A36 PolarHBondContact O-N 3.3Å | ||
| 35 | I | 42 | Very low | 42.8 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -77.9 | 88.4 | 175.9 | -54.4 | 177.4 | 0 | 0 | 0 | 110 | V33 | V33-I35 HydrophobicContact CG1-CG1 4.41Å; V33-I35 PolarHBondContact O-N 3.1Å; V33-I35 VanDerWaalsContact O-N 3.09Å | ||
| 36 | A | 45.3 | Very low | 44.1 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | trans | -69.5 | 132.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H34 V38 | H34-A36 PolarHBondContact O-N 3.3Å; A36-V38 PolarHBondContact O-N 3.38Å | ||
| 37 | P | 41.7 | Very low | 45.5 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -74.5 | 93.3 | -178.5 | 29.4 | -34.6 | 0 | 0 | 0 | 111.6 | K39 | P37-K39 PolarHBondContact O-N 3.36Å; P37-K39 VanDerWaalsContact O-N 3.07Å | ||
| 38 | V | 43.4 | Very low | 46.9 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -63.2 | 109.5 | 173.5 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | A36 K40 | A36-V38 PolarHBondContact O-N 3.38Å; V38-K40 PolarHBondContact O-N 2.95Å | ||
| 39 | K | 45.7 | Very low | 47.7 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 96 | 170.5 | -71.5 | -175.8 | 178.2 | -179.5 | 0 | 109.6 | P37 T41 | P37-K39 PolarHBondContact O-N 3.36Å; P37-K39 VanDerWaalsContact O-N 3.07Å; K39-T41 PolarHBondContact O-N 3.43Å; K39-T41 VanDerWaalsContact O-N 3.08Å | ||
| 40 | K | 46.3 | Very low | 49 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | -62.9 | 109 | 170.1 | -72.1 | -175.9 | 178 | 179.3 | 0 | 108.9 | V38 V42 | V38-K40 PolarHBondContact O-N 2.95Å; K40-V42 PolarHBondContact O-N 2.88Å | ||
| 41 | T | 46.8 | Very low | 49.4 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -67.4 | 112.2 | 165.3 | 40.5 | 0 | 0 | 0 | 0 | 108.2 | K39 R43 | K39-T41 PolarHBondContact O-N 3.43Å; K39-T41 VanDerWaalsContact O-N 3.08Å; T41-R43 PolarHBondContact O-N 3.22Å | ||
| 42 | V | 54.6 | Low | 49.8 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -68.8 | 104.5 | 173 | 179.9 | 0 | 0 | 0 | 0 | 107 | K40 | K40-V42 PolarHBondContact O-N 2.88Š| ||
| 43 | R | 53.5 | Low | 50.5 | Low | 228 Ų | 228 | 147.8 Ų | 147.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -74 | 128.7 | 164.7 | -73.7 | -175.8 | 171.4 | -177.3 | -3.5 | 107.7 | T41 N45 | T41-R43 PolarHBondContact O-N 3.22Å; R43-N45 PolarHBondContact O-N 3.31Å | ||
| 44 | E | 57.5 | Low | 50.3 | Low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -60.7 | 135.3 | 174.6 | -63.9 | 178.6 | 143 | 0 | 0 | 109.5 | P46 | E44-P46 WeakPolarHBondContact O-CD 3.38Š| ||
| 45 | N | 64.1 | Low | 50.5 | Low | 109 Ų | 109 | 148.7 Ų | 148.7 | 58% | 0.583 | 79% | 0.789 | S | S | * | * | trans | -90.6 | 113.1 | -173.5 | -172 | 11.6 | 0 | 0 | 0 | 108.6 | R43 M47 V48 | R43-N45 PolarHBondContact O-N 3.31Å; N45-M47 PolarHBondContact O-N 2.92Å; N45-V48 HydrophobicContact CB-CG2 4.24Å; N45-V48 PolarHBondContact O-N 3.29Å; N45-V48 VanDerWaalsContact O-N 3.12Å | ||
| 46 | P | 65.6 | Low | 50.2 | Low | 134 Ų | 134 | 147.7 Ų | 147.7 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 10.1 | -166.5 | 29.1 | -37.6 | 0 | 0 | 0 | 115.2 | E44 | E44-P46 WeakPolarHBondContact O-CD 3.38Š|
| 47 | M | 61.7 | Low | 50.2 | Low | 171 Ų | 171 | 154.5 Ų | 154.5 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 18.9 | 176.7 | -160.8 | 149.1 | 58.4 | 0 | 0 | 112.5 | N45 | N45-M47 PolarHBondContact O-N 2.92Š|
| 48 | V | 59.3 | Low | 49.8 | Very low | 96 Ų | 96 | 154.8 Ų | 154.8 | 58% | 0.582 | 80% | 0.795 | S | S | * | * | trans | -110 | 106.3 | 170.6 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | N45 T50 | N45-V48 HydrophobicContact CB-CG2 4.24Å; N45-V48 PolarHBondContact O-N 3.29Å; N45-V48 VanDerWaalsContact O-N 3.12Å; V48-T50 HydrophobicContact CG1-CG2 4.46Å | ||
| 49 | Q | 51.6 | Low | 49.5 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -76 | 129.4 | 172.8 | -70.5 | 175.2 | -45.5 | 0 | 0 | 110.2 | ||||
| 50 | T | 62 | Low | 49.3 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -116.3 | 117 | 175.9 | 47.3 | 0 | 0 | 0 | 0 | 110.4 | V48 V52 | V48-T50 HydrophobicContact CG1-CG2 4.46Å; T50-V52 PolarHBondContact O-N 2.96Å | ||
| 51 | T | 44.4 | Very low | 48.9 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -93.6 | 55.6 | -172.3 | 56 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 52 | V | 47.6 | Very low | 49.2 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -138.2 | 100.7 | 173.3 | -170.8 | 0 | 0 | 0 | 0 | 111.1 | T50 | T50-V52 PolarHBondContact O-N 2.96Š| ||
| 53 | K | 49 | Very low | 48.9 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -119.9 | 121.5 | 150.2 | -76.2 | -177.7 | 178.8 | 174.8 | 0 | 106.8 | H55 | K53-H55 PolarHBondContact O-N 3.26Š| ||
| 54 | P | 37.9 | Very low | 49 | Very low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -66.9 | 123.3 | 170.5 | 28.3 | -31.9 | 0 | 0 | 0 | 108.4 | D56 | P54-D56 PolarHBondContact O-N 3.42Š| ||
| 55 | H | 40.6 | Very low | 49.2 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -81.6 | 112.9 | 169.9 | -170.4 | -51.8 | 0 | 0 | 0 | 108 | K53 R57 | K53-H55 PolarHBondContact O-N 3.26Å; H55-R57 PolarHBondContact O-N 2.91Å | ||
| 56 | D | 36.8 | Very low | 49.2 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -60.9 | 127.4 | 174.7 | -128.2 | -29.7 | 0 | 0 | 0 | 109.4 | P54 | P54-D56 PolarHBondContact O-N 3.42Š| ||
| 57 | R | 43.9 | Very low | 49.7 | Very low | 218 Ų | 218 | 143.6 Ų | 143.6 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | trans | -118.2 | 71.6 | -177.5 | -84.3 | -167.8 | 170.4 | -166.3 | -2.1 | 110.5 | H55 S59 | H55-R57 PolarHBondContact O-N 2.91Å; R57-S59 PolarHBondContact O-N 2.97Å; R57-S59 VanDerWaalsContact O-N 3.16Å | ||
| 58 | T | 32.8 | Very low | 50.4 | Low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -84.1 | 74.5 | 172.8 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 59 | S | 37.6 | Very low | 51.4 | Low | 92 Ų | 92 | 141.1 Ų | 141.1 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -149.5 | 100.3 | 174.5 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | R57 | R57-S59 PolarHBondContact O-N 2.97Å; R57-S59 VanDerWaalsContact O-N 3.16Å | ||
| 60 | E | 42.7 | Very low | 52.7 | Low | 191 Ų | 191 | 140.5 Ų | 140.5 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | 64.6 | 142.1 | 150.6 | -53.3 | -168.3 | 154.9 | 0 | 0 | 120.3 | V62 | E60-V62 PolarHBondContact O-N 3.33Š| ||
| 61 | T | 36.9 | Very low | 53.4 | Low | 148 Ų | 148 | 138 Ų | 138 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -88.1 | 88.8 | -167.6 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 62 | V | 53.2 | Low | 55 | Low | 116 Ų | 116 | 137.8 Ų | 137.8 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | trans | -89.2 | 148.2 | 152.1 | -80.8 | 0 | 0 | 0 | 0 | 110.2 | E60 D64 | E60-V62 PolarHBondContact O-N 3.33Å; V62-D64 VanDerWaalsContact C-N 3.31Å; V62-D64 PolarHBondContact O-N 3.27Å | ||
| 63 | A | 48.6 | Very low | 56 | Low | 101 Ų | 101 | 136 Ų | 136 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -81.1 | 76.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V65 | A63-V65 PolarHBondContact O-N 3.29Š| ||
| 64 | D | 54.9 | Low | 56.8 | Low | 107 Ų | 107 | 133.2 Ų | 133.2 | 57% | 0.572 | 78% | 0.783 | S | S | * | * | trans | -58.3 | 120.1 | 179.2 | -80.3 | -24.4 | 0 | 0 | 0 | 111.6 | V62 F66 | V62-D64 VanDerWaalsContact C-N 3.31Å; V62-D64 PolarHBondContact O-N 3.27Å; D64-F66 VanDerWaalsContact C-N 3.3Å; D64-F66 HydrophobicContact CB-CD2 4.04Å; D64-F66 HydrophobicContact CB-CE2 3.61Å; D64-F66 HydrophobicContact CB-CZ 4.01Å; D64-F66 VanDerWaalsContact O-CD2 3.25Å; D64-F66 WeakPolarHBondContact O-CD2 3.32Å; D64-F66 PolarHBondContact O-N 2.83Å | ||
| 65 | V | 62.8 | Low | 58 | Low | 134 Ų | 134 | 132.8 Ų | 132.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -78.9 | 84.3 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | A63 V67 | A63-V65 PolarHBondContact O-N 3.29Å; V65-V67 PolarHBondContact O-N 2.95Å | ||
| 66 | F | 63.3 | Low | 59.3 | Low | 175 Ų | 175 | 133.4 Ų | 133.4 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | -61.9 | 99.8 | 176.7 | -73.7 | -84.1 | 0 | 0 | 0 | 111.3 | D64 T68 | D64-F66 VanDerWaalsContact C-N 3.3Å; D64-F66 HydrophobicContact CB-CD2 4.04Å; D64-F66 HydrophobicContact CB-CE2 3.61Å; D64-F66 HydrophobicContact CB-CZ 4.01Å; D64-F66 VanDerWaalsContact O-CD2 3.25Å; D64-F66 WeakPolarHBondContact O-CD2 3.32Å; D64-F66 PolarHBondContact O-N 2.83Å; F66-T68 PolarHBondContact O-N 3.25Å | ||
| 67 | V | 76.1 | Confident | 61.4 | Low | 132 Ų | 132 | 135.9 Ų | 135.9 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -78.8 | 103.6 | 166.4 | -178.9 | 0 | 0 | 0 | 0 | 108 | V65 A69 | V65-V67 PolarHBondContact O-N 2.95Å; V67-A69 PolarHBondContact O-N 2.87Å | ||
| 68 | T | 76.5 | Confident | 63.4 | Low | 114 Ų | 114 | 128.5 Ų | 128.5 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -69.4 | 109.5 | 175.3 | 47.2 | 0 | 0 | 0 | 0 | 110.3 | F66 E70 | F66-T68 PolarHBondContact O-N 3.25Å; T68-E70 PolarHBondContact O-N 3.45Å | ||
| 69 | A | 79.8 | Confident | 66.1 | Low | 102 Ų | 102 | 126.1 Ų | 126.1 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -72.3 | 96.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V67 G71 | V67-A69 PolarHBondContact O-N 2.87Å; A69-G71 PolarHBondContact O-N 2.78Å | ||
| 70 | E | 79.3 | Confident | 68.5 | Low | 178 Ų | 178 | 127.6 Ų | 127.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -68.1 | 112.1 | 171.9 | -65.9 | -173.7 | 171.3 | 0 | 0 | 109.5 | T68 | T68-E70 PolarHBondContact O-N 3.45Š| ||
| 71 | G | 77 | Confident | 70.8 | Confident | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -65.2 | 140.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | A69 G73 | A69-G71 PolarHBondContact O-N 2.78Å; G71-G73 PolarHBondContact O-N 3.04Å | ||
| 72 | T | 77.5 | Confident | 73.3 | Confident | 136 Ų | 136 | 120.5 Ų | 120.5 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | -58.9 | 104.7 | 164.4 | 41.5 | 0 | 0 | 0 | 0 | 108.2 | D74 | T72-D74 PolarHBondContact O-N 3.2Š| ||
| 73 | G | 68.2 | Low | 75.1 | Confident | 88 Ų | 88 | 116.4 Ų | 116.4 | 91% | 0.907 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -73 | 35.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | G71 | G71-G73 PolarHBondContact O-N 3.04Š|
| 74 | D | 66.5 | Low | 77 | Confident | 142 Ų | 142 | 115.8 Ų | 115.8 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -148.3 | 158.5 | 178.1 | -161.5 | -2.7 | 0 | 0 | 0 | 110.2 | T72 | T72-D74 PolarHBondContact O-N 3.2Š|
| 75 | C | 62.4 | Low | 78.7 | Confident | 115 Ų | 115 | 116.4 Ų | 116.4 | 78% | 0.777 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 73.2 | 163.2 | -178.6 | 96 | 0 | 0 | 0 | 0 | 118.3 | ||
| 76 | R | 69.1 | Low | 79.9 | Confident | 178 Ų | 178 | 117.6 Ų | 117.6 | 67% | 0.672 | 71% | 0.706 | S | S | * | * | trans | -95.3 | 129 | 178.1 | 162.3 | 179.4 | 168.9 | 171.3 | -4.8 | 108.4 | M82 | R76-M82 PolarHBondContact NH2-SD 2.76Š| ||
| 77 | E | 80.9 | Confident | 81.1 | Confident | 188 Ų | 188 | 111.1 Ų | 111.1 | 88% | 0.879 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -65.7 | 145 | 179.7 | -62.2 | -178.5 | 169.4 | 0 | 0 | 112.7 | ||
| 78 | G | 85.1 | Confident | 81.7 | Confident | 63 Ų | 63 | 107.7 Ų | 107.7 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 86.7 | 171.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 79 | P | 89 | Confident | 82.3 | Confident | 80 Ų | 80 | 109.6 Ų | 109.6 | 52% | 0.519 | 66% | 0.658 | S | S | . | * | trans | -73.6 | 150 | -179.9 | 33.6 | -37.2 | 0 | 0 | 0 | 111.6 | D81 M82 | P79-D81 WeakPolarHBondContact CB-OD1 3.47Å; P79-D81 WeakPolarHBondContact CG-OD1 3.35Å; P79-D81 PolarHBondContact O-N 2.62Å; P79-D81 VanDerWaalsContact O-N 3.16Å; P79-M82 PolarHBondContact O-N 3.44Å; P79-M82 VanDerWaalsContact O-N 3.12Å | ||
| 80 | S | 88.8 | Confident | 82.7 | Confident | 123 Ų | 123 | 107.7 Ų | 107.7 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -18.5 | -173.8 | 53 | 0 | 0 | 0 | 0 | 114.8 | ||
| 81 | D | 91.3 | Very high | 83.2 | Confident | 48 Ų | 48 | 103.2 Ų | 103.2 | 26% | 0.257 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.4 | 0.1 | 179.1 | 76.4 | -32 | 0 | 0 | 0 | 113.5 | P79 G83 A84 T85 | P79-D81 WeakPolarHBondContact CB-OD1 3.47Å; P79-D81 WeakPolarHBondContact CG-OD1 3.35Å; P79-D81 PolarHBondContact O-N 2.62Å; P79-D81 VanDerWaalsContact O-N 3.16Å; D81-G83 PolarHBondContact O-N 2.83Å; D81-G83 PolarHBondContact OD1-N 2.92Å; D81-A84 HydrophobicContact CB-CB 4.27Å; D81-A84 WeakPolarHBondContact O-CB 3.36Å; D81-A84 PolarHBondContact O-N 2.9Å; D81-A84 PolarHBondContact OD2-N 3.49Å; D81-T85 PolarHBondContact OD2-N 2.82Å; D81-T85 PolarHBondContact OD2-OG1 3.39Å; D81-T85 VanDerWaalsContact OD2-OG1 3.04Å |
| 82 | M | 89.5 | Confident | 83.9 | Confident | 142 Ų | 142 | 104.7 Ų | 104.7 | 70% | 0.7 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.7 | 26.4 | -172.9 | -51.6 | -65 | -73.9 | 0 | 0 | 114 | R76 P79 | R76-M82 PolarHBondContact NH2-SD 2.76Å; P79-M82 PolarHBondContact O-N 3.44Å; P79-M82 VanDerWaalsContact O-N 3.12Å |
| 83 | G | 89.6 | Confident | 84.5 | Confident | 30 Ų | 30 | 103.1 Ų | 103.1 | 31% | 0.309 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.5 | 14.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D81 T85 W86 | D81-G83 PolarHBondContact O-N 2.83Å; D81-G83 PolarHBondContact OD1-N 2.92Å; G83-T85 PolarHBondContact O-N 2.96Å; G83-W86 VanDerWaalsContact O-CB 3.26Å; G83-W86 WeakPolarHBondContact O-CB 3.23Å; G83-W86 PolarHBondContact O-N 3.27Å; G83-W86 VanDerWaalsContact O-N 3.15Å |
| 84 | A | 89.4 | Confident | 85.5 | Confident | 89 Ų | 89 | 106.6 Ų | 106.6 | 74% | 0.736 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -27.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D81 | D81-A84 HydrophobicContact CB-CB 4.27Å; D81-A84 WeakPolarHBondContact O-CB 3.36Å; D81-A84 PolarHBondContact O-N 2.9Å; D81-A84 PolarHBondContact OD2-N 3.49Å |
| 85 | T | 89.9 | Confident | 86.6 | Confident | 120 Ų | 120 | 106 Ų | 106 | 74% | 0.736 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 20.8 | 176.1 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | D81 G83 S87 | D81-T85 PolarHBondContact OD2-N 2.82Å; D81-T85 PolarHBondContact OD2-OG1 3.39Å; D81-T85 VanDerWaalsContact OD2-OG1 3.04Å; G83-T85 PolarHBondContact O-N 2.96Å; T85-S87 PolarHBondContact O-N 2.96Å |
| 86 | W | 88 | Confident | 87.9 | Confident | 158 Ų | 158 | 107.7 Ų | 107.7 | 60% | 0.598 | 58% | 0.582 | S | S | * | * | trans | -57.5 | 124.9 | -176.3 | -176.3 | 83.3 | 0 | 0 | 0 | 113.1 | G83 F88 | G83-W86 VanDerWaalsContact O-CB 3.26Å; G83-W86 WeakPolarHBondContact O-CB 3.23Å; G83-W86 PolarHBondContact O-N 3.27Å; G83-W86 VanDerWaalsContact O-N 3.15Å; W86-F88 HydrophobicContact CH2-CB 4.44Å; W86-F88 AromaticContact CH2-CD2 3.85Å; W86-F88 HydrophobicContact CH2-CD2 3.85Å; W86-F88 HydrophobicContact CZ3-CB 4.11Å; W86-F88 HydrophobicContact CZ3-CD2 4.15Å | ||
| 87 | S | 89.3 | Confident | 88.9 | Confident | 40 Ų | 40 | 99.6 Ų | 99.6 | 28% | 0.28 | 55% | 0.552 | S | S | . | * | trans | -91.5 | 130.3 | 178.4 | 32.7 | 0 | 0 | 0 | 0 | 111.7 | T85 E89 | T85-S87 PolarHBondContact O-N 2.96Å; S87-E89 VanDerWaalsContact CB-OE1 3.29Å; S87-E89 WeakPolarHBondContact CB-OE1 3.39Å; S87-E89 PolarHBondContact O-N 2.73Å; S87-E89 PolarHBondContact OG-OE1 3.33Å | ||
| 88 | F | 88.6 | Confident | 89.2 | Confident | 59 Ų | 59 | 92.5 Ų | 92.5 | 26% | 0.259 | 52% | 0.523 | S | S | . | . | trans | -74.8 | 106.5 | 166.9 | -175.3 | -95.2 | 0 | 0 | 0 | 110.2 | W86 D91 V155 | W86-F88 HydrophobicContact CH2-CB 4.44Å; W86-F88 AromaticContact CH2-CD2 3.85Å; W86-F88 HydrophobicContact CH2-CD2 3.85Å; W86-F88 HydrophobicContact CZ3-CB 4.11Å; W86-F88 HydrophobicContact CZ3-CD2 4.15Å; F88-D91 WeakPolarHBondContact CE1-OD2 3.23Å; F88-V155 PolarHBondContact N-O 3.22Å | ||
| 89 | E | 88 | Confident | 89.1 | Confident | 154 Ų | 154 | 90.5 Ų | 90.5 | 72% | 0.72 | 50% | 0.497 | S | S | * | . | trans | -111.4 | 23.6 | -176.5 | -69.6 | 172.9 | -159.5 | 0 | 0 | 112.9 | S87 D91 | S87-E89 VanDerWaalsContact CB-OE1 3.29Å; S87-E89 WeakPolarHBondContact CB-OE1 3.39Å; S87-E89 PolarHBondContact O-N 2.73Å; S87-E89 PolarHBondContact OG-OE1 3.33Å; E89-D91 VanDerWaalsContact C-N 3.33Å | ||
| 90 | G | 88.3 | Confident | 89.1 | Confident | 62 Ų | 62 | 87.2 Ų | 87.2 | 64% | 0.639 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -79.9 | -10.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 91 | D | 90.2 | Very high | 89 | Confident | 85 Ų | 85 | 85.1 Ų | 85.1 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -103.3 | 172.9 | 175.9 | -67.2 | -49.9 | 0 | 0 | 0 | 110.8 | F88 E89 A153 | F88-D91 WeakPolarHBondContact CE1-OD2 3.23Å; E89-D91 VanDerWaalsContact C-N 3.33Å; D91-A153 WeakPolarHBondContact OD2-CB 3.07Å |
| 92 | T | 91.6 | Very high | 88.6 | Confident | 99 Ų | 99 | 86.5 Ų | 86.5 | 61% | 0.607 | 46% | 0.457 | S | S | * | . | trans | -61.7 | 136.9 | 179 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | R96 D97 | T92-R96 HydrophobicContact CG2-CB 4.03Å; T92-D97 HydrophobicContact CG2-CB 4.24Å | ||
| 93 | E | 90.9 | Very high | 88.3 | Confident | 102 Ų | 102 | 82.4 Ų | 82.4 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | trans | -45.3 | 138 | 174.3 | -70.3 | 174.9 | -147.8 | 0 | 0 | 113.5 | D95 R96 D97 | E93-D95 PolarHBondContact O-N 3.32Å; E93-R96 HydrophobicContact CB-CB 4.44Å; E93-R96 HydrophobicContact CB-CG 4.26Å; E93-R96 VanDerWaalsContact CD-NE 3.34Å; E93-R96 PolarHBondContact O-N 2.95Å; E93-R96 IonicContact OE1-CZ 2.67Å; E93-R96 VanDerWaalsContact OE1-CZ 3.28Å; E93-R96 IonicContact OE1-NE 3.04Å; E93-R96 IonicContact OE1-NH2 3.45Å; E93-R96 PolarHBondContact OE1-NH2 2.92Å; E93-R96 IonicContact OE2-CZ 3.26Å; E93-R96 IonicContact OE2-NE 3.64Å; E93-R96 PolarHBondContact OE2-NE 3.08Å; E93-R96 IonicContact OE2-NH2 2.94Å; E93-R96 PolarHBondContact OE2-NH2 2.94Å; E93-D97 PolarHBondContact O-N 2.9Å | ||
| 94 | R | 88 | Confident | 88.2 | Confident | 161 Ų | 161 | 86.7 Ų | 86.7 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.2 | -173.1 | -67.7 | -179.8 | 64.7 | 172.2 | -1.4 | 115.1 | D97 A100 R152 | R94-D97 WeakPolarHBondContact CA-OD2 3.47Å; R94-A100 VanDerWaalsContact O-CB 3.24Å; R94-A100 WeakPolarHBondContact O-CB 3.45Å; R94-R152 PolarHBondContact O-NH2 3.42Å; R94-R152 VanDerWaalsContact O-NH2 3.07Å |
| 95 | D | 90 | Very high | 88 | Confident | 130 Ų | 130 | 83.3 Ų | 83.3 | 70% | 0.695 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -23.3 | 179.7 | -64.1 | -34.5 | 0 | 0 | 0 | 112.9 | E93 A100 R104 | E93-D95 PolarHBondContact O-N 3.32Å; D95-A100 VanDerWaalsContact O-CB 3.31Å; D95-A100 WeakPolarHBondContact O-CB 3.45Å; D95-R104 PolarHBondContact O-NH2 2.82Å |
| 96 | R | 89.4 | Confident | 87.6 | Confident | 150 Ų | 150 | 79.8 Ų | 79.8 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -20.1 | -176.1 | -53.3 | -169.3 | -152.3 | -171.5 | 13.6 | 113.1 | T92 E93 Q101 | T92-R96 HydrophobicContact CG2-CB 4.03Å; E93-R96 HydrophobicContact CB-CB 4.44Å; E93-R96 HydrophobicContact CB-CG 4.26Å; E93-R96 VanDerWaalsContact CD-NE 3.34Å; E93-R96 PolarHBondContact O-N 2.95Å; E93-R96 IonicContact OE1-CZ 2.67Å; E93-R96 VanDerWaalsContact OE1-CZ 3.28Å; E93-R96 IonicContact OE1-NE 3.04Å; E93-R96 IonicContact OE1-NH2 3.45Å; E93-R96 PolarHBondContact OE1-NH2 2.92Å; E93-R96 IonicContact OE2-CZ 3.26Å; E93-R96 IonicContact OE2-NE 3.64Å; E93-R96 PolarHBondContact OE2-NE 3.08Å; E93-R96 IonicContact OE2-NH2 2.94Å; E93-R96 PolarHBondContact OE2-NH2 2.94Å; R96-Q101 PolarHBondContact O-NE2 3.49Å |
| 97 | D | 90.1 | Very high | 87.5 | Confident | 9 Ų | 9 | 78.5 Ų | 78.5 | 5% | 0.048 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -58.2 | 166.6 | -177.3 | 72.7 | 32.9 | 0 | 0 | 0 | 114.6 | T92 E93 R94 Q99 A100 Q101 R152 | T92-D97 HydrophobicContact CG2-CB 4.24Å; E93-D97 PolarHBondContact O-N 2.9Å; R94-D97 WeakPolarHBondContact CA-OD2 3.47Å; D97-Q99 PolarHBondContact O-N 3.28Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.5Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.27Å; D97-A100 PolarHBondContact O-N 3.07Å; D97-A100 PolarHBondContact OD1-N 2.93Å; D97-Q101 WeakPolarHBondContact O-CG 3.33Å; D97-Q101 PolarHBondContact O-N 3.49Å; D97-R152 IonicContact OD1-CZ 3Å; D97-R152 IonicContact OD1-NE 2.82Å; D97-R152 IonicContact OD1-NH2 2.73Å; D97-R152 PolarHBondContact OD1-NH2 3.45Å; D97-R152 IonicContact OD2-CZ 3.63Å; D97-R152 VanDerWaalsContact OD2-CZ 3.23Å; D97-R152 IonicContact OD2-NE 2.84Å; D97-R152 PolarHBondContact OD2-NE 2.94Å; D97-R152 IonicContact OD2-NH2 2.78Å; D97-R152 PolarHBondContact OD2-NH2 3Å |
| 98 | S | 87.2 | Confident | 87.3 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 27% | 0.266 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -53.8 | -34.9 | 177.5 | 48.9 | 0 | 0 | 0 | 0 | 113.4 | F102 P150 | S98-F102 WeakPolarHBondContact O-CB 3.43Å; S98-F102 PolarHBondContact O-N 3.34Å; S98-P150 PolarHBondContact OG-O 3.42Å |
| 99 | Q | 84.6 | Confident | 86.9 | Confident | 22 Ų | 22 | 78.8 Ų | 78.8 | 10% | 0.103 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -73.5 | -44.3 | -177.7 | -71.4 | -166.4 | 1.3 | 0 | 0 | 111.4 | D97 F102 E103 R147 R152 | D97-Q99 PolarHBondContact O-N 3.28Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.5Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.27Å; Q99-F102 PolarHBondContact O-N 3.11Å; Q99-E103 WeakPolarHBondContact O-CB 3.44Å; Q99-E103 VanDerWaalsContact O-CG 3.22Å; Q99-E103 WeakPolarHBondContact O-CG 3.24Å; Q99-E103 PolarHBondContact O-N 2.86Å; Q99-R147 VanDerWaalsContact CB-NH1 3.32Å; Q99-R152 VanDerWaalsContact CD-CB 3.42Å; Q99-R152 HydrophobicContact CG-CB 4.2Å; Q99-R152 VanDerWaalsContact NE2-N 3.15Å; Q99-R152 VanDerWaalsContact OE1-CB 3.26Å |
| 100 | A | 88.3 | Confident | 86.7 | Confident | 10 Ų | 10 | 76.6 Ų | 76.6 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R94 D95 D97 R104 | R94-A100 VanDerWaalsContact O-CB 3.24Å; R94-A100 WeakPolarHBondContact O-CB 3.45Å; D95-A100 VanDerWaalsContact O-CB 3.31Å; D95-A100 WeakPolarHBondContact O-CB 3.45Å; D97-A100 PolarHBondContact O-N 3.07Å; D97-A100 PolarHBondContact OD1-N 2.93Å; A100-R104 VanDerWaalsContact O-CB 3.28Å; A100-R104 WeakPolarHBondContact O-CB 3.46Å; A100-R104 VanDerWaalsContact O-CG 3.24Å; A100-R104 WeakPolarHBondContact O-CG 3.42Å; A100-R104 PolarHBondContact O-N 3.2Å; A100-R104 PolarHBondContact O-NE 3.31Å |
| 101 | Q | 87.2 | Confident | 86.5 | Confident | 80 Ų | 80 | 78.6 Ų | 78.6 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 170.3 | -72.5 | -178.6 | 44.5 | 0 | 0 | 111.9 | R96 D97 R104 A105 | R96-Q101 PolarHBondContact O-NE2 3.49Å; D97-Q101 WeakPolarHBondContact O-CG 3.33Å; D97-Q101 PolarHBondContact O-N 3.49Å; Q101-R104 PolarHBondContact O-N 3.38Å; Q101-A105 PolarHBondContact O-N 3.07Å |
| 102 | F | 83 | Confident | 86 | Confident | 76 Ų | 76 | 78.3 Ų | 78.3 | 33% | 0.333 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 176.5 | -178.1 | -110.2 | 0 | 0 | 0 | 112.2 | S98 Q99 R104 A105 L106 A141 | S98-F102 WeakPolarHBondContact O-CB 3.43Å; S98-F102 PolarHBondContact O-N 3.34Å; Q99-F102 PolarHBondContact O-N 3.11Å; F102-R104 VanDerWaalsContact C-N 3.31Å; F102-R104 PolarHBondContact O-N 2.62Å; F102-A105 PolarHBondContact O-N 2.88Å; F102-A105 VanDerWaalsContact O-N 3.16Å; F102-L106 HydrophobicContact CD1-CD1 4Å; F102-L106 HydrophobicContact CD1-CG 4.45Å; F102-L106 HydrophobicContact CE1-CD1 3.5Å; F102-L106 HydrophobicContact CE1-CG 4.09Å; F102-L106 HydrophobicContact CE2-CD2 4.49Å; F102-L106 HydrophobicContact CE2-CG 4.4Å; F102-L106 HydrophobicContact CZ-CD1 3.87Å; F102-L106 HydrophobicContact CZ-CD2 4.14Å; F102-L106 HydrophobicContact CZ-CG 4.05Å; F102-L106 PolarHBondContact O-N 3.09Å; F102-A141 HydrophobicContact CE1-CB 3.78Å; F102-A141 HydrophobicContact CZ-CB 3.84Å |
| 103 | E | 83.5 | Confident | 85.3 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 27% | 0.266 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.1 | -33.6 | 175.2 | -72.6 | 160.4 | -156.9 | 0 | 0 | 112.3 | Q99 K107 R147 R152 | Q99-E103 WeakPolarHBondContact O-CB 3.44Å; Q99-E103 VanDerWaalsContact O-CG 3.22Å; Q99-E103 WeakPolarHBondContact O-CG 3.24Å; Q99-E103 PolarHBondContact O-N 2.86Å; E103-K107 VanDerWaalsContact O-CG 3.29Å; E103-K107 WeakPolarHBondContact O-CG 3.37Å; E103-K107 PolarHBondContact O-N 2.82Å; E103-R147 IonicContact OE1-CZ 3.75Å; E103-R147 IonicContact OE1-NH1 3.69Å; E103-R147 PolarHBondContact OE1-NH1 3.36Å; E103-R147 IonicContact OE1-NH2 2.77Å; E103-R147 PolarHBondContact OE1-NH2 2.78Å; E103-R152 IonicContact OE1-NH1 2.7Å |
| 104 | R | 87 | Confident | 84.7 | Confident | 119 Ų | 119 | 80.9 Ų | 80.9 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 170 | -78.8 | -179.1 | -86.6 | 122.7 | -9.9 | 111.9 | D95 A100 Q101 F102 K107 I108 | D95-R104 PolarHBondContact O-NH2 2.82Å; A100-R104 VanDerWaalsContact O-CB 3.28Å; A100-R104 WeakPolarHBondContact O-CB 3.46Å; A100-R104 VanDerWaalsContact O-CG 3.24Å; A100-R104 WeakPolarHBondContact O-CG 3.42Å; A100-R104 PolarHBondContact O-N 3.2Å; A100-R104 PolarHBondContact O-NE 3.31Å; Q101-R104 PolarHBondContact O-N 3.38Å; F102-R104 VanDerWaalsContact C-N 3.31Å; F102-R104 PolarHBondContact O-N 2.62Å; R104-K107 PolarHBondContact O-N 2.87Å; R104-I108 WeakPolarHBondContact O-CG1 3.42Å; R104-I108 PolarHBondContact O-N 2.99Å; R104-I108 VanDerWaalsContact O-N 3.14Å |
| 105 | A | 84.8 | Confident | 84.3 | Confident | 18 Ų | 18 | 78.6 Ų | 78.6 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q101 F102 K107 I108 Q109 N125 | Q101-A105 PolarHBondContact O-N 3.07Å; F102-A105 PolarHBondContact O-N 2.88Å; F102-A105 VanDerWaalsContact O-N 3.16Å; A105-K107 PolarHBondContact O-N 2.84Å; A105-I108 PolarHBondContact O-N 3.26Å; A105-Q109 PolarHBondContact O-N 2.78Å; A105-N125 HydrophobicContact CB-CB 4.3Å |
| 106 | L | 81.6 | Confident | 83.5 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 175.2 | -73.7 | 178.9 | 0 | 0 | 0 | 112.2 | F102 I108 Q109 E110 | F102-L106 HydrophobicContact CD1-CD1 4Å; F102-L106 HydrophobicContact CD1-CG 4.45Å; F102-L106 HydrophobicContact CE1-CD1 3.5Å; F102-L106 HydrophobicContact CE1-CG 4.09Å; F102-L106 HydrophobicContact CE2-CD2 4.49Å; F102-L106 HydrophobicContact CE2-CG 4.4Å; F102-L106 HydrophobicContact CZ-CD1 3.87Å; F102-L106 HydrophobicContact CZ-CD2 4.14Å; F102-L106 HydrophobicContact CZ-CG 4.05Å; F102-L106 PolarHBondContact O-N 3.09Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.42Å; L106-Q109 WeakPolarHBondContact O-CB 3.4Å; L106-Q109 PolarHBondContact O-N 2.76Å; L106-Q109 VanDerWaalsContact O-N 3.12Å; L106-E110 PolarHBondContact O-N 3.19Å |
| 107 | K | 85.1 | Confident | 82.8 | Confident | 131 Ų | 131 | 76.5 Ų | 76.5 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.4 | -42.7 | 176.3 | -74.2 | 169.4 | -178.1 | 177 | 0 | 112.1 | E103 R104 A105 Q109 E110 E111 | E103-K107 VanDerWaalsContact O-CG 3.29Å; E103-K107 WeakPolarHBondContact O-CG 3.37Å; E103-K107 PolarHBondContact O-N 2.82Å; R104-K107 PolarHBondContact O-N 2.87Å; A105-K107 PolarHBondContact O-N 2.84Å; K107-Q109 VanDerWaalsContact C-N 3.32Å; K107-Q109 PolarHBondContact O-N 3.27Å; K107-E110 PolarHBondContact O-N 3.07Å; K107-E111 WeakPolarHBondContact O-CB 3.46Å; K107-E111 WeakPolarHBondContact O-CG 3.21Å; K107-E111 PolarHBondContact O-N 3.01Å |
| 108 | I | 85.7 | Confident | 82.4 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 176 | -65.7 | 163.3 | 0 | 0 | 0 | 111.3 | R104 A105 L106 R112 R122 A126 | R104-I108 WeakPolarHBondContact O-CG1 3.42Å; R104-I108 PolarHBondContact O-N 2.99Å; R104-I108 VanDerWaalsContact O-N 3.14Å; A105-I108 PolarHBondContact O-N 3.26Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.42Å; I108-R112 WeakPolarHBondContact O-CB 3.43Å; I108-R112 PolarHBondContact O-N 3.07Å; I108-R122 HydrophobicContact CG2-CB 4.25Å; I108-A126 HydrophobicContact CD1-CB 4.46Å; I108-A126 HydrophobicContact CG2-CB 3.88Å |
| 109 | Q | 81.3 | Confident | 82 | Confident | 63 Ų | 63 | 84.6 Ų | 84.6 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 175.8 | -166.2 | -173.9 | 10.2 | 0 | 0 | 111.7 | A105 L106 K107 R112 R113 G129 | A105-Q109 PolarHBondContact O-N 2.78Å; L106-Q109 WeakPolarHBondContact O-CB 3.4Å; L106-Q109 PolarHBondContact O-N 2.76Å; L106-Q109 VanDerWaalsContact O-N 3.12Å; K107-Q109 VanDerWaalsContact C-N 3.32Å; K107-Q109 PolarHBondContact O-N 3.27Å; Q109-R112 PolarHBondContact O-N 3.14Å; Q109-R113 PolarHBondContact O-N 2.98Å; Q109-G129 PolarHBondContact NE2-O 3.04Å |
| 110 | E | 82.1 | Confident | 82.1 | Confident | 107 Ų | 107 | 88.8 Ų | 88.8 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 175.7 | -67.9 | -165.9 | 136 | 0 | 0 | 112 | L106 K107 R112 R113 K134 | L106-E110 PolarHBondContact O-N 3.19Å; K107-E110 PolarHBondContact O-N 3.07Å; E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 3.24Å; E110-R113 VanDerWaalsContact O-CB 3.27Å; E110-R113 WeakPolarHBondContact O-CB 3.38Å; E110-R113 PolarHBondContact O-N 3.02Å; E110-K134 IonicContact OE1-NZ 3.7Å; E110-K134 PolarHBondContact OE1-NZ 2.69Å; E110-K134 VanDerWaalsContact OE1-NZ 3.15Å |
| 111 | E | 84.2 | Confident | 81.9 | Confident | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -32.2 | 171.9 | -82 | -178.9 | -154.8 | 0 | 0 | 113.5 | K107 R113 K115 R122 | K107-E111 WeakPolarHBondContact O-CB 3.46Å; K107-E111 WeakPolarHBondContact O-CG 3.21Å; K107-E111 PolarHBondContact O-N 3.01Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-K115 WeakPolarHBondContact O-CD 3.36Å; E111-K115 VanDerWaalsContact O-CE 3.23Å; E111-K115 WeakPolarHBondContact O-CE 3.4Å; E111-K115 PolarHBondContact O-NZ 3.13Å; E111-R122 IonicContact OE2-NH1 2.86Å |
| 112 | R | 80 | Confident | 81.6 | Confident | 79 Ų | 79 | 96.4 Ų | 96.4 | 30% | 0.298 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -79.8 | -17.6 | 179 | -171.5 | 174 | 178.5 | -157.9 | -8.2 | 112.4 | I108 Q109 E110 G114 K115 E117 | I108-R112 WeakPolarHBondContact O-CB 3.43Å; I108-R112 PolarHBondContact O-N 3.07Å; Q109-R112 PolarHBondContact O-N 3.14Å; E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 3.24Å; R112-G114 PolarHBondContact O-N 3.4Å; R112-G114 VanDerWaalsContact O-N 3.11Å; R112-K115 WeakPolarHBondContact O-CB 3.29Å; R112-K115 PolarHBondContact O-N 2.91Å; R112-E117 IonicContact CZ-OE1 3.54Å; R112-E117 IonicContact NH2-OE1 3.15Å; R112-E117 PolarHBondContact NH2-OE1 2.66Å |
| 113 | R | 77.3 | Confident | 81.6 | Confident | 167 Ų | 167 | 93.9 Ų | 93.9 | 63% | 0.63 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 114.3 | -175 | -166.4 | -179.5 | 73.3 | 163.6 | 6.3 | 111.9 | Q109 E110 E111 E132 | Q109-R113 PolarHBondContact O-N 2.98Å; E110-R113 VanDerWaalsContact O-CB 3.27Å; E110-R113 WeakPolarHBondContact O-CB 3.38Å; E110-R113 PolarHBondContact O-N 3.02Å; E111-R113 VanDerWaalsContact C-N 3.35Å; R113-E132 WeakPolarHBondContact CD-OE1 3.46Å; R113-E132 IonicContact CZ-OE1 3.83Å; R113-E132 IonicContact NE-OE1 3.42Å; R113-E132 IonicContact NH1-OE1 2.65Å; R113-E132 PolarHBondContact NH1-OE1 2.68Å; R113-E132 IonicContact NH1-OE2 2.8Å |
| 114 | G | 77.7 | Confident | 81.7 | Confident | 87 Ų | 87 | 98.1 Ų | 98.1 | 90% | 0.897 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 3.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R112 | R112-G114 PolarHBondContact O-N 3.4Å; R112-G114 VanDerWaalsContact O-N 3.11Å |
| 115 | K | 79.8 | Confident | 81.3 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 50% | 0.496 | 49% | 0.488 | S | S | . | . | trans | -94 | 153 | 169.8 | -65.1 | 175.1 | -175.9 | 154.6 | 0 | 110.7 | E111 R112 | E111-K115 WeakPolarHBondContact O-CD 3.36Å; E111-K115 VanDerWaalsContact O-CE 3.23Å; E111-K115 WeakPolarHBondContact O-CE 3.4Å; E111-K115 PolarHBondContact O-NZ 3.13Å; R112-K115 WeakPolarHBondContact O-CB 3.29Å; R112-K115 PolarHBondContact O-N 2.91Å | ||
| 116 | S | 73.9 | Confident | 81 | Confident | 93 Ų | 93 | 97 Ų | 97 | 65% | 0.65 | 49% | 0.489 | S | S | * | . | trans | -63.5 | 175.8 | 169.6 | 44.8 | 0 | 0 | 0 | 0 | 112.3 | D118 | S116-D118 PolarHBondContact O-N 3.33Å; S116-D118 VanDerWaalsContact O-N 3.13Å | ||
| 117 | E | 75 | Confident | 80.4 | Confident | 142 Ų | 142 | 100.7 Ų | 100.7 | 66% | 0.664 | 50% | 0.5 | S | S | * | . | trans | -80.1 | 93.1 | 174.9 | -53.4 | -145.9 | 101.7 | 0 | 0 | 110.7 | R112 N119 | R112-E117 IonicContact CZ-OE1 3.54Å; R112-E117 IonicContact NH2-OE1 3.15Å; R112-E117 PolarHBondContact NH2-OE1 2.66Å; E117-N119 PolarHBondContact O-N 2.99Å | ||
| 118 | D | 80.6 | Confident | 79.4 | Confident | 64 Ų | 64 | 96.9 Ų | 96.9 | 34% | 0.342 | 50% | 0.499 | S | S | . | . | trans | -59.4 | -11.7 | -178.9 | -56.2 | -22.3 | 0 | 0 | 0 | 114.6 | S116 I120 R122 | S116-D118 PolarHBondContact O-N 3.33Å; S116-D118 VanDerWaalsContact O-N 3.13Å; D118-I120 HydrophobicContact CB-CB 4.42Å; D118-I120 HydrophobicContact CB-CD1 4.18Å; D118-I120 HydrophobicContact CB-CG1 4.31Å; D118-I120 PolarHBondContact O-N 2.8Å; D118-R122 IonicContact OD2-NH2 3.53Å; D118-R122 PolarHBondContact OD2-NH2 3.2Å; D118-R122 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 119 | N | 80.3 | Confident | 78.2 | Confident | 153 Ų | 153 | 97.3 Ų | 97.3 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | trans | 56 | -0.2 | -170.1 | -68.1 | -42.1 | 0 | 0 | 0 | 116.7 | E117 | E117-N119 PolarHBondContact O-N 2.99Š| ||
| 120 | I | 85.5 | Confident | 77 | Confident | 110 Ų | 110 | 103.4 Ų | 103.4 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | trans | -73 | 130.6 | 178.1 | -65.4 | 165.5 | 0 | 0 | 0 | 111.3 | D118 R122 Y127 | D118-I120 HydrophobicContact CB-CB 4.42Å; D118-I120 HydrophobicContact CB-CD1 4.18Å; D118-I120 HydrophobicContact CB-CG1 4.31Å; D118-I120 PolarHBondContact O-N 2.8Å; I120-R122 HydrophobicContact CG2-CG 4.49Å; I120-R122 PolarHBondContact O-N 3.18Å; I120-Y127 PolarHBondContact O-OH 2.93Å | ||
| 121 | Y | 85.1 | Confident | 76.1 | Confident | 163 Ų | 163 | 107.2 Ų | 107.2 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | trans | -74.6 | 114.9 | 175.9 | -175.9 | -101.1 | 0 | 0 | 0 | 112.6 | M124 Y127 | Y121-M124 PolarHBondContact OH-N 3.06Å; Y121-M124 VanDerWaalsContact OH-N 3.16Å; Y121-Y127 WeakPolarHBondContact CA-OH 3.4Å; Y121-Y127 AromaticContact CD2-CE2 3.46Å; Y121-Y127 HydrophobicContact CD2-CE2 3.46Å; Y121-Y127 VanDerWaalsContact CD2-CE2 3.46Å; Y121-Y127 AromaticContact CD2-CZ 3.94Å; Y121-Y127 HydrophobicContact CE2-CD2 4.42Å; Y121-Y127 AromaticContact CE2-CE2 3.74Å; Y121-Y127 HydrophobicContact CE2-CE2 3.74Å; Y121-Y127 HydrophobicContact CG-CE2 4.39Å | ||
| 122 | R | 79.6 | Confident | 75 | Confident | 87 Ų | 87 | 106.2 Ų | 106.2 | 33% | 0.328 | 55% | 0.546 | S | S | . | . | trans | -106.7 | 17.5 | -179.8 | -60.2 | -172.6 | -176.9 | -132.9 | 6.5 | 113.9 | I108 E111 D118 I120 A126 | I108-R122 HydrophobicContact CG2-CB 4.25Å; E111-R122 IonicContact OE2-NH1 2.86Å; D118-R122 IonicContact OD2-NH2 3.53Å; D118-R122 PolarHBondContact OD2-NH2 3.2Å; D118-R122 VanDerWaalsContact OD2-NH2 3.15Å; I120-R122 HydrophobicContact CG2-CG 4.49Å; I120-R122 PolarHBondContact O-N 3.18Å; R122-A126 HydrophobicContact CB-CB 3.8Å; R122-A126 WeakPolarHBondContact O-CB 3.36Å | ||
| 123 | G | 83.7 | Confident | 74 | Confident | 23 Ų | 23 | 104.8 Ų | 104.8 | 24% | 0.237 | 55% | 0.548 | C | S | . | . | trans | 91.7 | 152.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N125 A126 Y127 | G123-N125 VanDerWaalsContact C-N 3.3Å; G123-N125 PolarHBondContact O-N 2.85Å; G123-A126 WeakPolarHBondContact O-CB 3.26Å; G123-A126 PolarHBondContact O-N 3.49Å; G123-Y127 WeakPolarHBondContact O-CD2 3.09Å | ||
| 124 | M | 85.3 | Confident | 72.9 | Confident | 147 Ų | 147 | 102.3 Ų | 102.3 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -49.7 | -44.7 | -172.9 | -173.4 | 171.9 | 69.3 | 0 | 0 | 113.7 | Y121 A126 Y127 | Y121-M124 PolarHBondContact OH-N 3.06Å; Y121-M124 VanDerWaalsContact OH-N 3.16Å; M124-A126 PolarHBondContact O-N 2.94Å; M124-Y127 PolarHBondContact O-N 3.22Å |
| 125 | N | 79.3 | Confident | 72 | Confident | 92 Ų | 92 | 101.6 Ų | 101.6 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -74.4 | -8.9 | -176.6 | -59.8 | -2.3 | 0 | 0 | 0 | 114.1 | A105 G123 | A105-N125 HydrophobicContact CB-CB 4.3Å; G123-N125 VanDerWaalsContact C-N 3.3Å; G123-N125 PolarHBondContact O-N 2.85Å |
| 126 | A | 77 | Confident | 71.1 | Confident | 21 Ų | 21 | 99 Ų | 99 | 17% | 0.174 | 53% | 0.531 | C | S | . | . | G | 310 helix | trans | -86.1 | -7.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I108 R122 G123 M124 G128 | I108-A126 HydrophobicContact CD1-CB 4.46Å; I108-A126 HydrophobicContact CG2-CB 3.88Å; R122-A126 HydrophobicContact CB-CB 3.8Å; R122-A126 WeakPolarHBondContact O-CB 3.36Å; G123-A126 WeakPolarHBondContact O-CB 3.26Å; G123-A126 PolarHBondContact O-N 3.49Å; M124-A126 PolarHBondContact O-N 2.94Å; A126-G128 PolarHBondContact O-N 3.13Å |
| 127 | Y | 70.3 | Confident | 70.2 | Confident | 124 Ų | 124 | 97.7 Ų | 97.7 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -98.5 | 72.4 | -180 | -71.3 | -88.1 | 0 | 0 | 0 | 111.6 | I120 Y121 G123 M124 | I120-Y127 PolarHBondContact O-OH 2.93Å; Y121-Y127 WeakPolarHBondContact CA-OH 3.4Å; Y121-Y127 AromaticContact CD2-CE2 3.46Å; Y121-Y127 HydrophobicContact CD2-CE2 3.46Å; Y121-Y127 VanDerWaalsContact CD2-CE2 3.46Å; Y121-Y127 AromaticContact CD2-CZ 3.94Å; Y121-Y127 HydrophobicContact CE2-CD2 4.42Å; Y121-Y127 AromaticContact CE2-CE2 3.74Å; Y121-Y127 HydrophobicContact CE2-CE2 3.74Å; Y121-Y127 HydrophobicContact CG-CE2 4.39Å; G123-Y127 WeakPolarHBondContact O-CD2 3.09Å; M124-Y127 PolarHBondContact O-N 3.22Å |
| 128 | G | 64.1 | Low | 69.5 | Low | 52 Ų | 52 | 93.8 Ų | 93.8 | 54% | 0.536 | 51% | 0.511 | S | S | . | . | trans | -165.7 | 132.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A126 | A126-G128 PolarHBondContact O-N 3.13Š| ||
| 129 | G | 60.2 | Low | 68.3 | Low | 51 Ų | 51 | 91.7 Ų | 91.7 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | trans | 78 | 100.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q109 Y131 | Q109-G129 PolarHBondContact NE2-O 3.04Å; G129-Y131 VanDerWaalsContact C-N 3.26Å | ||
| 130 | F | 56.4 | Low | 67.2 | Low | 190 Ų | 190 | 88.2 Ų | 88.2 | 83% | 0.833 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -70.1 | -27.4 | 158.9 | -179.3 | -101.4 | 0 | 0 | 0 | 111.9 | ||
| 131 | Y | 63.6 | Low | 65.8 | Low | 188 Ų | 188 | 83.3 Ų | 83.3 | 74% | 0.737 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -89.4 | 119.5 | -174.6 | -57.3 | -76.5 | 0 | 0 | 0 | 112 | G129 S133 | G129-Y131 VanDerWaalsContact C-N 3.26Å; Y131-S133 PolarHBondContact O-N 3.06Å; Y131-S133 VanDerWaalsContact O-N 3.13Å |
| 132 | E | 60.7 | Low | 64.5 | Low | 83 Ų | 83 | 78.9 Ų | 78.9 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | trans | -64.6 | 108.5 | 165.8 | -67 | -165.3 | 156.7 | 0 | 0 | 109.4 | R113 K134 | R113-E132 WeakPolarHBondContact CD-OE1 3.46Å; R113-E132 IonicContact CZ-OE1 3.83Å; R113-E132 IonicContact NE-OE1 3.42Å; R113-E132 IonicContact NH1-OE1 2.65Å; R113-E132 PolarHBondContact NH1-OE1 2.68Å; R113-E132 IonicContact NH1-OE2 2.8Å; E132-K134 HydrophobicContact CB-CD 4.29Å; E132-K134 HydrophobicContact CB-CG 4.26Å; E132-K134 PolarHBondContact O-N 2.82Å; E132-K134 IonicContact OE1-NZ 2.82Å; E132-K134 PolarHBondContact OE1-NZ 2.87Å; E132-K134 VanDerWaalsContact OE2-CD 3.27Å; E132-K134 WeakPolarHBondContact OE2-CD 3.46Å; E132-K134 WeakPolarHBondContact OE2-CE 3.46Å; E132-K134 IonicContact OE2-NZ 2.78Å; E132-K134 PolarHBondContact OE2-NZ 3.39Å | ||
| 133 | S | 59.1 | Low | 63.6 | Low | 50 Ų | 50 | 80.2 Ų | 80.2 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | trans | -78.1 | 27.7 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | Y131 G135 S136 G139 | Y131-S133 PolarHBondContact O-N 3.06Å; Y131-S133 VanDerWaalsContact O-N 3.13Å; S133-G135 PolarHBondContact O-N 3.49Å; S133-S136 WeakPolarHBondContact O-CA 3.43Å; S133-S136 VanDerWaalsContact O-CB 3.3Å; S133-S136 WeakPolarHBondContact O-CB 3.45Å; S133-S136 PolarHBondContact O-N 3.13Å; S133-G139 VanDerWaalsContact O-CA 3.28Å; S133-G139 WeakPolarHBondContact O-CA 3.44Å; S133-G139 PolarHBondContact O-N 3.08Å; S133-G139 VanDerWaalsContact OG-CA 3.27Å; S133-G139 WeakPolarHBondContact OG-CA 3.13Å; S133-G139 PolarHBondContact OG-N 2.91Å | ||
| 134 | K | 54.6 | Low | 62.5 | Low | 114 Ų | 114 | 81.4 Ų | 81.4 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 124.6 | -179 | -68.3 | 176 | -173.7 | 165.4 | 0 | 109.5 | E110 E132 | E110-K134 IonicContact OE1-NZ 3.7Å; E110-K134 PolarHBondContact OE1-NZ 2.69Å; E110-K134 VanDerWaalsContact OE1-NZ 3.15Å; E132-K134 HydrophobicContact CB-CD 4.29Å; E132-K134 HydrophobicContact CB-CG 4.26Å; E132-K134 PolarHBondContact O-N 2.82Å; E132-K134 IonicContact OE1-NZ 2.82Å; E132-K134 PolarHBondContact OE1-NZ 2.87Å; E132-K134 VanDerWaalsContact OE2-CD 3.27Å; E132-K134 WeakPolarHBondContact OE2-CD 3.46Å; E132-K134 WeakPolarHBondContact OE2-CE 3.46Å; E132-K134 IonicContact OE2-NZ 2.78Å; E132-K134 PolarHBondContact OE2-NZ 3.39Å |
| 135 | G | 58.4 | Low | 61.4 | Low | 72 Ų | 72 | 82.2 Ų | 82.2 | 74% | 0.742 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -14.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S133 | S133-G135 PolarHBondContact O-N 3.49Š|
| 136 | S | 59.5 | Low | 60.6 | Low | 60 Ų | 60 | 81.7 Ų | 81.7 | 42% | 0.42 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -85.8 | 152.9 | 163.5 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | S133 V138 G139 N140 | S133-S136 WeakPolarHBondContact O-CA 3.43Å; S133-S136 VanDerWaalsContact O-CB 3.3Å; S133-S136 WeakPolarHBondContact O-CB 3.45Å; S133-S136 PolarHBondContact O-N 3.13Å; S136-V138 PolarHBondContact O-N 3.11Å; S136-G139 PolarHBondContact O-N 3.32Å; S136-N140 PolarHBondContact O-N 2.77Å |
| 137 | A | 56.6 | Low | 60.1 | Low | 66 Ų | 66 | 82.8 Ų | 82.8 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -24.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 138 | V | 58.7 | Low | 60.2 | Low | 59 Ų | 59 | 86.5 Ų | 86.5 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -36.8 | 177.6 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | S136 A141 | S136-V138 PolarHBondContact O-N 3.11Å; V138-A141 WeakPolarHBondContact O-CB 3.36Å; V138-A141 PolarHBondContact O-N 2.77Å |
| 139 | G | 57.1 | Low | 61 | Low | 21 Ų | 21 | 86.7 Ų | 86.7 | 22% | 0.216 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -27.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | S133 S136 A141 | S133-G139 VanDerWaalsContact O-CA 3.28Å; S133-G139 WeakPolarHBondContact O-CA 3.44Å; S133-G139 PolarHBondContact O-N 3.08Å; S133-G139 VanDerWaalsContact OG-CA 3.27Å; S133-G139 WeakPolarHBondContact OG-CA 3.13Å; S133-G139 PolarHBondContact OG-N 2.91Å; S136-G139 PolarHBondContact O-N 3.32Å; G139-A141 PolarHBondContact O-N 2.59Å |
| 140 | N | 57.5 | Low | 62.3 | Low | 80 Ų | 80 | 89 Ų | 89 | 43% | 0.428 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 9.1 | 173.3 | -71.5 | 11.7 | 0 | 0 | 0 | 113.2 | S136 S142 N143 | S136-N140 PolarHBondContact O-N 2.77Å; N140-S142 PolarHBondContact O-N 2.78Å; N140-N143 WeakPolarHBondContact O-CB 3.42Å; N140-N143 PolarHBondContact O-N 3Å |
| 141 | A | 55.5 | Low | 63.6 | Low | 7 Ų | 7 | 85.6 Ų | 85.6 | 6% | 0.058 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 6.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | F102 V138 G139 R147 | F102-A141 HydrophobicContact CE1-CB 3.78Å; F102-A141 HydrophobicContact CZ-CB 3.84Å; V138-A141 WeakPolarHBondContact O-CB 3.36Å; V138-A141 PolarHBondContact O-N 2.77Å; G139-A141 PolarHBondContact O-N 2.59Å; A141-R147 WeakPolarHBondContact O-CD 3.4Å; A141-R147 VanDerWaalsContact O-CG 3.25Å; A141-R147 WeakPolarHBondContact O-CG 3.25Å; A141-R147 PolarHBondContact O-NE 2.89Å |
| 142 | S | 57.1 | Low | 64.7 | Low | 70 Ų | 70 | 80 Ų | 80 | 49% | 0.49 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -26.8 | 160.3 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | N140 R147 | N140-S142 PolarHBondContact O-N 2.78Å; S142-R147 VanDerWaalsContact O-CZ 3.28Å; S142-R147 PolarHBondContact O-NE 2.82Å; S142-R147 VanDerWaalsContact O-NE 3.14Å; S142-R147 PolarHBondContact O-NH2 2.65Å |
| 143 | N | 60.3 | Low | 66 | Low | 114 Ų | 114 | 77.3 Ų | 77.3 | 61% | 0.61 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -80.9 | 142.5 | 177.7 | -163.9 | 0 | 0 | 0 | 0 | 111.3 | N140 L145 N146 R147 | N140-N143 WeakPolarHBondContact O-CB 3.42Å; N140-N143 PolarHBondContact O-N 3Å; N143-L145 VanDerWaalsContact C-N 3.3Å; N143-L145 PolarHBondContact O-N 2.73Å; N143-L145 VanDerWaalsContact O-N 3.14Å; N143-N146 PolarHBondContact O-N 2.84Å; N143-R147 VanDerWaalsContact O-CG 3.32Å; N143-R147 WeakPolarHBondContact O-CG 3.15Å |
| 144 | G | 60.8 | Low | 67.5 | Low | 48 Ų | 48 | 78 Ų | 78 | 50% | 0.495 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.8 | -162.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 145 | L | 62.7 | Low | 69.2 | Low | 165 Ų | 165 | 74.5 Ų | 74.5 | 86% | 0.864 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -24.2 | -176.3 | -105 | 64.5 | 0 | 0 | 0 | 114.8 | N143 | N143-L145 VanDerWaalsContact C-N 3.3Å; N143-L145 PolarHBondContact O-N 2.73Å; N143-L145 VanDerWaalsContact O-N 3.14Å |
| 146 | N | 62.4 | Low | 70.7 | Confident | 80 Ų | 80 | 80.3 Ų | 80.3 | 43% | 0.428 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -111.4 | 13.2 | -170.9 | -70.6 | 10.5 | 0 | 0 | 0 | 113.4 | N143 | N143-N146 PolarHBondContact O-N 2.84Š|
| 147 | R | 67.6 | Low | 72.1 | Confident | 45 Ų | 45 | 81.5 Ų | 81.5 | 17% | 0.17 | 46% | 0.458 | C | S | . | . | trans | -71.2 | 133.8 | -179.9 | -58.9 | -132.4 | 180 | -174 | 4.5 | 110.6 | Q99 E103 A141 S142 N143 L151 | Q99-R147 VanDerWaalsContact CB-NH1 3.32Å; E103-R147 IonicContact OE1-CZ 3.75Å; E103-R147 IonicContact OE1-NH1 3.69Å; E103-R147 PolarHBondContact OE1-NH1 3.36Å; E103-R147 IonicContact OE1-NH2 2.77Å; E103-R147 PolarHBondContact OE1-NH2 2.78Å; A141-R147 WeakPolarHBondContact O-CD 3.4Å; A141-R147 VanDerWaalsContact O-CG 3.25Å; A141-R147 WeakPolarHBondContact O-CG 3.25Å; A141-R147 PolarHBondContact O-NE 2.89Å; S142-R147 VanDerWaalsContact O-CZ 3.28Å; S142-R147 PolarHBondContact O-NE 2.82Å; S142-R147 VanDerWaalsContact O-NE 3.14Å; S142-R147 PolarHBondContact O-NH2 2.65Å; N143-R147 VanDerWaalsContact O-CG 3.32Å; N143-R147 WeakPolarHBondContact O-CG 3.15Å; R147-L151 HydrophobicContact CB-CD2 3.81Å | ||
| 148 | R | 71.2 | Confident | 73.7 | Confident | 202 Ų | 202 | 87.6 Ų | 87.6 | 76% | 0.762 | 47% | 0.466 | S | S | * | . | trans | -99.5 | 146.3 | 170.4 | -65.4 | -160.6 | -65 | -137 | 2.8 | 110.9 | ||||
| 149 | G | 80.4 | Confident | 75.3 | Confident | 56 Ų | 56 | 92.2 Ų | 92.2 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 92.2 | -172.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 150 | P | 88.2 | Confident | 77 | Confident | 99 Ų | 99 | 97.3 Ų | 97.3 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -58.6 | 138.1 | -178.7 | -23.6 | 33.7 | 0 | 0 | 0 | 112.2 | S98 | S98-P150 PolarHBondContact OG-O 3.42Š|
| 151 | L | 84.4 | Confident | 78.8 | Confident | 118 Ų | 118 | 99.1 Ų | 99.1 | 62% | 0.618 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 140.3 | 179 | -63.1 | 176.3 | 0 | 0 | 0 | 110.8 | R147 A153 | R147-L151 HydrophobicContact CB-CD2 3.81Å; L151-A153 PolarHBondContact O-N 2.67Å |
| 152 | R | 86.3 | Confident | 80.6 | Confident | 71 Ų | 71 | 107.2 Ų | 107.2 | 27% | 0.268 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 123.6 | 172.6 | 178.5 | -176.6 | -71.9 | 144.5 | -12 | 109.8 | R94 D97 Q99 E103 | R94-R152 PolarHBondContact O-NH2 3.42Å; R94-R152 VanDerWaalsContact O-NH2 3.07Å; D97-R152 IonicContact OD1-CZ 3Å; D97-R152 IonicContact OD1-NE 2.82Å; D97-R152 IonicContact OD1-NH2 2.73Å; D97-R152 PolarHBondContact OD1-NH2 3.45Å; D97-R152 IonicContact OD2-CZ 3.63Å; D97-R152 VanDerWaalsContact OD2-CZ 3.23Å; D97-R152 IonicContact OD2-NE 2.84Å; D97-R152 PolarHBondContact OD2-NE 2.94Å; D97-R152 IonicContact OD2-NH2 2.78Å; D97-R152 PolarHBondContact OD2-NH2 3Å; Q99-R152 VanDerWaalsContact CD-CB 3.42Å; Q99-R152 HydrophobicContact CG-CB 4.2Å; Q99-R152 VanDerWaalsContact NE2-N 3.15Å; Q99-R152 VanDerWaalsContact OE1-CB 3.26Å; E103-R152 IonicContact OE1-NH1 2.7Å |
| 153 | A | 88.3 | Confident | 82.4 | Confident | 26 Ų | 26 | 113 Ų | 113 | 22% | 0.215 | 56% | 0.559 | C | S | . | * | P | Polyproline II helix | trans | -70.5 | 155.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D91 L151 V155 | D91-A153 WeakPolarHBondContact OD2-CB 3.07Å; L151-A153 PolarHBondContact O-N 2.67Å; A153-V155 PolarHBondContact O-N 3.19Å |
| 154 | P | 89.7 | Confident | 84 | Confident | 64 Ų | 64 | 112.6 Ų | 112.6 | 42% | 0.416 | 56% | 0.556 | S | S | . | * | trans | -72.9 | 110.8 | 172.8 | 29.5 | -33.9 | 0 | 0 | 0 | 111.1 | Y156 I157 | P154-Y156 VanDerWaalsContact C-N 3.28Å; P154-Y156 PolarHBondContact O-N 2.86Å; P154-I157 HydrophobicContact CB-CB 4.22Å; P154-I157 HydrophobicContact CB-CD1 3.83Å; P154-I157 HydrophobicContact CB-CG1 4.01Å; P154-I157 HydrophobicContact CG-CB 4.13Å; P154-I157 HydrophobicContact CG-CD1 4.12Å; P154-I157 HydrophobicContact CG-CG1 4.38Å; P154-I157 PolarHBondContact O-N 3.3Å | ||
| 155 | V | 91 | Very high | 85.5 | Confident | 41 Ų | 41 | 115.1 Ų | 115.1 | 25% | 0.248 | 55% | 0.551 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -32.5 | -174.2 | -178.9 | 0 | 0 | 0 | 0 | 113.7 | F88 A153 | F88-V155 PolarHBondContact N-O 3.22Å; A153-V155 PolarHBondContact O-N 3.19Å |
| 156 | Y | 89.9 | Confident | 86.8 | Confident | 195 Ų | 195 | 115.6 Ų | 115.6 | 77% | 0.765 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 14.4 | -172.5 | 55.8 | -93.7 | 0 | 0 | 0 | 113.9 | P154 | P154-Y156 VanDerWaalsContact C-N 3.28Å; P154-Y156 PolarHBondContact O-N 2.86Å |
| 157 | I | 89.5 | Confident | 88.2 | Confident | 85 Ų | 85 | 114.6 Ų | 114.6 | 44% | 0.436 | 54% | 0.54 | S | S | . | . | trans | -124.3 | 106.1 | -177.8 | -54.6 | -178.2 | 0 | 0 | 0 | 110.1 | P154 R159 | P154-I157 HydrophobicContact CB-CB 4.22Å; P154-I157 HydrophobicContact CB-CD1 3.83Å; P154-I157 HydrophobicContact CB-CG1 4.01Å; P154-I157 HydrophobicContact CG-CB 4.13Å; P154-I157 HydrophobicContact CG-CD1 4.12Å; P154-I157 HydrophobicContact CG-CG1 4.38Å; P154-I157 PolarHBondContact O-N 3.3Å; I157-R159 PolarHBondContact O-N 3.29Å | ||
| 158 | R | 90 | Very high | 89.4 | Confident | 193 Ų | 193 | 117 Ų | 117 | 73% | 0.728 | 56% | 0.556 | S | S | * | * | trans | -65.2 | 128.9 | 165.8 | 73.1 | -176.3 | -175.2 | 90.8 | -0.2 | 109.6 | ||||
| 159 | R | 90.8 | Very high | 90.4 | Very high | 157 Ų | 157 | 109.5 Ų | 109.5 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | trans | -72.1 | 134.4 | 173.3 | -65.2 | -174 | -74.7 | -99.3 | 7.9 | 109.3 | I157 V161 | I157-R159 PolarHBondContact O-N 3.29Å; R159-V161 PolarHBondContact O-N 3.22Å | ||
| 160 | T | 94.2 | Very high | 91.1 | Very high | 127 Ų | 127 | 107 Ų | 107 | 78% | 0.779 | 50% | 0.504 | S | S | * | . | trans | -76 | 108.5 | 173.8 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 161 | V | 94.1 | Very high | 91.3 | Very high | 119 Ų | 119 | 108.2 Ų | 108.2 | 72% | 0.721 | 50% | 0.499 | S | S | * | . | trans | -85.3 | 136.5 | 175.2 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | R159 | R159-V161 PolarHBondContact O-N 3.22Š| ||
| 162 | R | 94.7 | Very high | 91.8 | Very high | 176 Ų | 176 | 106 Ų | 106 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | trans | -128.8 | 128.7 | 165.8 | -179.1 | -170.8 | 63.4 | 83.8 | -9.8 | 107.1 | D164 | R162-D164 IonicContact CZ-OD2 3.79Å; R162-D164 VanDerWaalsContact CZ-OD2 3.26Å; R162-D164 IonicContact NH1-OD1 3.28Å; R162-D164 PolarHBondContact NH1-OD1 2.99Å; R162-D164 IonicContact NH1-OD2 3.12Å; R162-D164 PolarHBondContact NH1-OD2 3.33Å; R162-D164 IonicContact NH2-OD2 2.65Å; R162-D164 PolarHBondContact NH2-OD2 3.37Å | ||
| 163 | W | 93.6 | Very high | 92.2 | Very high | 193 Ų | 193 | 105 Ų | 105 | 73% | 0.731 | 49% | 0.485 | S | S | * | . | trans | -70.1 | 137.6 | 169.4 | -58 | 109.7 | 0 | 0 | 0 | 110 | Y165 | W163-Y165 HydrophobicContact CB-CD2 4.12Å; W163-Y165 HydrophobicContact CB-CE2 3.63Å; W163-Y165 HydrophobicContact CG-CE2 4.43Å | ||
| 164 | D | 94.3 | Very high | 92.5 | Very high | 104 Ų | 104 | 107.2 Ų | 107.2 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | trans | -106.4 | 106.4 | 169.5 | -142.4 | -34.1 | 0 | 0 | 0 | 110 | R162 R166 | R162-D164 IonicContact CZ-OD2 3.79Å; R162-D164 VanDerWaalsContact CZ-OD2 3.26Å; R162-D164 IonicContact NH1-OD1 3.28Å; R162-D164 PolarHBondContact NH1-OD1 2.99Å; R162-D164 IonicContact NH1-OD2 3.12Å; R162-D164 PolarHBondContact NH1-OD2 3.33Å; R162-D164 IonicContact NH2-OD2 2.65Å; R162-D164 PolarHBondContact NH2-OD2 3.37Å; D164-R166 VanDerWaalsContact C-N 3.31Å; D164-R166 PolarHBondContact OD1-N 3.17Å | ||
| 165 | Y | 91.6 | Very high | 92.5 | Very high | 101 Ų | 101 | 110.2 Ų | 110.2 | 40% | 0.396 | 50% | 0.498 | S | S | . | . | trans | -88.9 | 3.3 | -178.6 | -67.5 | -80.2 | 0 | 0 | 0 | 112.6 | W163 P167 W198 E201 | W163-Y165 HydrophobicContact CB-CD2 4.12Å; W163-Y165 HydrophobicContact CB-CE2 3.63Å; W163-Y165 HydrophobicContact CG-CE2 4.43Å; Y165-P167 VanDerWaalsContact O-CD 3.29Å; Y165-P167 WeakPolarHBondContact O-CD 3.4Å; Y165-W198 HydrophobicContact CD1-CB 4.06Å; Y165-W198 HydrophobicContact CD1-CG 4.47Å; Y165-W198 HydrophobicContact CE1-CB 4.03Å; Y165-E201 WeakPolarHBondContact CE1-OE1 3.35Å; Y165-E201 PolarHBondContact OH-OE1 2.83Å; Y165-E201 PolarHBondContact OH-OE2 3.29Å | ||
| 166 | R | 90.5 | Very high | 92.6 | Very high | 175 Ų | 175 | 113 Ų | 113 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | trans | -94.3 | 108.4 | 175 | 178.5 | -176.4 | 165.2 | 172.1 | -2.7 | 110 | D164 | D164-R166 VanDerWaalsContact C-N 3.31Å; D164-R166 PolarHBondContact OD1-N 3.17Å | ||
| 167 | P | 91.5 | Very high | 92.7 | Very high | 60 Ų | 60 | 104.8 Ų | 104.8 | 39% | 0.39 | 49% | 0.49 | S | S | . | . | trans | -78.9 | 139.7 | 171.4 | 32.8 | -34.6 | 0 | 0 | 0 | 111.1 | Y165 I169 | Y165-P167 VanDerWaalsContact O-CD 3.29Å; Y165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-I169 HydrophobicContact CB-CD1 3.88Å; P167-I169 HydrophobicContact CB-CG1 4.06Å; P167-I169 HydrophobicContact CG-CD1 4.38Å; P167-I169 PolarHBondContact O-N 2.91Å; P167-I169 VanDerWaalsContact O-N 3.11Å | ||
| 168 | D | 93.2 | Very high | 92.9 | Very high | 95 Ų | 95 | 107.8 Ų | 107.8 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | trans | -85.8 | 53.5 | 172.5 | -72.4 | -45.9 | 0 | 0 | 0 | 111.4 | F187 L188 | D168-F187 HydrophobicContact CB-CD1 4.15Å; D168-F187 CarbonylContact O-C 3.55Å; D168-F187 WeakPolarHBondContact O-CA 3.07Å; D168-L188 WeakPolarHBondContact O-CB 3.24Å; D168-L188 PolarHBondContact O-N 3.02Å | ||
| 169 | I | 92.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 98.8 Ų | 98.8 | 23% | 0.231 | 47% | 0.467 | C | S | . | . | B | Isolated β-bridge | trans | -93.2 | 139.7 | 178.5 | -67.1 | 167.3 | 0 | 0 | 0 | 110.4 | P167 K171 K174 | P167-I169 HydrophobicContact CB-CD1 3.88Å; P167-I169 HydrophobicContact CB-CG1 4.06Å; P167-I169 HydrophobicContact CG-CD1 4.38Å; P167-I169 PolarHBondContact O-N 2.91Å; P167-I169 VanDerWaalsContact O-N 3.11Å; I169-K171 PolarHBondContact O-N 3.06Å; I169-K171 VanDerWaalsContact O-N 3.13Å; I169-K174 HydrophobicContact CG2-CB 4.22Å; I169-K174 HydrophobicContact CG2-CD 4.09Å |
| 170 | C | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 94.4 Ų | 94.4 | 3% | 0.027 | 47% | 0.47 | C | S | . | . | trans | -72.6 | 105.1 | 177.3 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | D172 Y173 K174 C185 F187 L188 | C170-D172 VanDerWaalsContact C-N 3.34Å; C170-D172 PolarHBondContact O-N 2.88Å; C170-Y173 PolarHBondContact O-N 3.3Å; C170-K174 PolarHBondContact O-N 3.28Å; C170-C185 VanDerWaalsContact SG-SG 3.68Å; C170-F187 HydrophobicContact CB-CB 3.83Å; C170-L188 PolarHBondContact N-O 3.31Å | ||
| 171 | K | 92.5 | Very high | 93.3 | Very high | 123 Ų | 123 | 95.2 Ų | 95.2 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -48.4 | -52.6 | 177.6 | -177.4 | -169.9 | 175.1 | -60.1 | 0 | 112.4 | I169 Y173 K174 E175 | I169-K171 PolarHBondContact O-N 3.06Å; I169-K171 VanDerWaalsContact O-N 3.13Å; K171-Y173 VanDerWaalsContact C-N 3.33Å; K171-Y173 PolarHBondContact O-N 3.42Å; K171-K174 PolarHBondContact O-N 2.99Å; K171-E175 WeakPolarHBondContact CE-OE1 3.19Å; K171-E175 WeakPolarHBondContact CG-OE1 3.49Å; K171-E175 IonicContact NZ-OE1 2.77Å; K171-E175 PolarHBondContact NZ-OE1 3.34Å; K171-E175 IonicContact NZ-OE2 3.21Å; K171-E175 PolarHBondContact NZ-OE2 3.14Å; K171-E175 PolarHBondContact O-N 2.8Å |
| 172 | D | 94.6 | Very high | 93.2 | Very high | 72 Ų | 72 | 91 Ų | 91 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | -174.3 | -52.9 | -29.5 | 0 | 0 | 0 | 111.5 | C170 T176 F178 | C170-D172 VanDerWaalsContact C-N 3.34Å; C170-D172 PolarHBondContact O-N 2.88Å; D172-T176 WeakPolarHBondContact O-CB 3.49Å; D172-T176 PolarHBondContact O-N 3.38Å; D172-T176 PolarHBondContact O-OG1 2.78Å; D172-F178 CarbonylContact C-O 3.36Å |
| 173 | Y | 95.3 | Very high | 93.1 | Very high | 51 Ų | 51 | 90.5 Ų | 90.5 | 20% | 0.2 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -69.3 | -39 | 175.8 | -167.7 | -94.8 | 0 | 0 | 0 | 112.6 | C170 K171 G177 C179 H189 R191 | C170-Y173 PolarHBondContact O-N 3.3Å; K171-Y173 VanDerWaalsContact C-N 3.33Å; K171-Y173 PolarHBondContact O-N 3.42Å; Y173-G177 WeakPolarHBondContact O-CA 3.48Å; Y173-G177 PolarHBondContact O-N 3.34Å; Y173-C179 HydrophobicContact CD2-CB 4.3Å; Y173-H189 HydrophobicContact CD1-CB 3.76Å; Y173-H189 HydrophobicContact CD2-CB 4.29Å; Y173-H189 AromaticContact CD2-CD2 3.94Å; Y173-H189 AromaticContact CD2-CG 3.87Å; Y173-H189 HydrophobicContact CE1-CB 3.69Å; Y173-H189 WeakPolarHBondContact CE1-O 3.42Å; Y173-H189 HydrophobicContact CE2-CB 4.23Å; Y173-H189 HydrophobicContact CG-CB 4.06Å; Y173-H189 AromaticContact CG-CD2 3.75Å; Y173-H189 AromaticContact CG-CG 3.88Å; Y173-R191 HydrophobicContact CD1-CG 4.08Å; Y173-R191 HydrophobicContact CE1-CG 3.94Å; Y173-R191 VanDerWaalsContact CZ-CZ 3.44Å; Y173-R191 PolarHBondContact OH-NH1 2.89Å; Y173-R191 PolarHBondContact OH-NH2 3.12Å |
| 174 | K | 93.5 | Very high | 93.1 | Very high | 72 Ų | 72 | 86.3 Ų | 86.3 | 31% | 0.313 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 177.5 | 178.6 | 161 | 172.7 | 163.6 | 0 | 111.9 | I169 C170 K171 S192 | I169-K174 HydrophobicContact CG2-CB 4.22Å; I169-K174 HydrophobicContact CG2-CD 4.09Å; C170-K174 PolarHBondContact O-N 3.28Å; K171-K174 PolarHBondContact O-N 2.99Å; K174-S192 WeakPolarHBondContact CE-O 3.47Å; K174-S192 PolarHBondContact NZ-O 3.04Å |
| 175 | E | 90.9 | Very high | 93.1 | Very high | 127 Ų | 127 | 82.5 Ų | 82.5 | 59% | 0.593 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -80.7 | -45.1 | -177.4 | -71.3 | 173.1 | -156.6 | 0 | 0 | 113.9 | K171 | K171-E175 WeakPolarHBondContact CE-OE1 3.19Å; K171-E175 WeakPolarHBondContact CG-OE1 3.49Å; K171-E175 IonicContact NZ-OE1 2.77Å; K171-E175 PolarHBondContact NZ-OE1 3.34Å; K171-E175 IonicContact NZ-OE2 3.21Å; K171-E175 PolarHBondContact NZ-OE2 3.14Å; K171-E175 PolarHBondContact O-N 2.8Å |
| 176 | T | 92.3 | Very high | 93.3 | Very high | 98 Ų | 98 | 84.8 Ų | 84.8 | 60% | 0.601 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -104.5 | -15.1 | -171.8 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | D172 F178 | D172-T176 WeakPolarHBondContact O-CB 3.49Å; D172-T176 PolarHBondContact O-N 3.38Å; D172-T176 PolarHBondContact O-OG1 2.78Å; T176-F178 PolarHBondContact O-N 3.43Å; T176-F178 PolarHBondContact OG1-N 2.97Å; T176-F178 VanDerWaalsContact OG1-N 3.09Å; T176-F178 PolarHBondContact OG1-O 2.96Å; T176-F178 VanDerWaalsContact OG1-O 3.07Å |
| 177 | G | 92.3 | Very high | 93.5 | Very high | 24 Ų | 24 | 80 Ų | 80 | 25% | 0.247 | 44% | 0.438 | C | S | . | . | S | Bend | trans | 75.5 | 2.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y173 R191 | Y173-G177 WeakPolarHBondContact O-CA 3.48Å; Y173-G177 PolarHBondContact O-N 3.34Å; G177-R191 PolarHBondContact O-NH2 3.37Å |
| 178 | F | 93.2 | Very high | 93.6 | Very high | 147 Ų | 147 | 82.4 Ų | 82.4 | 65% | 0.645 | 45% | 0.447 | S | S | * | . | trans | -129.2 | 133.2 | 178.7 | -179.5 | -103 | 0 | 0 | 0 | 111.2 | D172 T176 | D172-F178 CarbonylContact C-O 3.36Å; T176-F178 PolarHBondContact O-N 3.43Å; T176-F178 PolarHBondContact OG1-N 2.97Å; T176-F178 VanDerWaalsContact OG1-N 3.09Å; T176-F178 PolarHBondContact OG1-O 2.96Å; T176-F178 VanDerWaalsContact OG1-O 3.07Å | ||
| 179 | C | 95.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 80.5 Ų | 80.5 | 3% | 0.027 | 44% | 0.435 | C | S | . | . | trans | -109.5 | 126.6 | 169.3 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | Y173 F181 G182 C185 H189 | Y173-C179 HydrophobicContact CD2-CB 4.3Å; C179-F181 PolarHBondContact O-N 3.38Å; C179-F181 VanDerWaalsContact O-N 3.13Å; C179-G182 PolarHBondContact O-N 3.36Å; C179-C185 VanDerWaalsContact SG-SG 3.66Å; C179-H189 VanDerWaalsContact CB-NE2 3.25Å; C179-H189 WeakPolarHBondContact CB-NE2 3.29Å | ||
| 180 | G | 94.1 | Very high | 93.6 | Very high | 65 Ų | 65 | 81.1 Ų | 81.1 | 67% | 0.67 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 181 | F | 94.4 | Very high | 93.4 | Very high | 144 Ų | 144 | 87 Ų | 87 | 63% | 0.632 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9.1 | 175.3 | -57.2 | -73.6 | 0 | 0 | 0 | 113.7 | C179 S184 C185 | C179-F181 PolarHBondContact O-N 3.38Å; C179-F181 VanDerWaalsContact O-N 3.13Å; F181-S184 WeakPolarHBondContact O-CB 3.25Å; F181-S184 PolarHBondContact O-N 3.03Å; F181-S184 VanDerWaalsContact O-N 3.14Å; F181-C185 HydrophobicContact CB-CB 4.22Å |
| 182 | G | 92.2 | Very high | 93.3 | Very high | 32 Ų | 32 | 82.4 Ų | 82.4 | 33% | 0.33 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | 50.2 | -143.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C179 S184 C185 H189 | C179-G182 PolarHBondContact O-N 3.36Å; G182-S184 PolarHBondContact O-N 3.3Å; G182-C185 WeakPolarHBondContact O-CB 3.33Å; G182-C185 PolarHBondContact O-N 3.32Å; G182-C185 VanDerWaalsContact O-N 3.07Å; G182-H189 PolarHBondContact O-CE1 2.76Å |
| 183 | D | 92.2 | Very high | 92.9 | Very high | 164 Ų | 164 | 85.7 Ų | 85.7 | 88% | 0.877 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -68.5 | 2.4 | -179.7 | -52 | -38.7 | 0 | 0 | 0 | 114.3 | C185 | D183-C185 VanDerWaalsContact C-N 3.33Š|
| 184 | S | 94.6 | Very high | 92.6 | Very high | 105 Ų | 105 | 92.1 Ų | 92.1 | 73% | 0.734 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -90.4 | 4 | 170.6 | -52.5 | 0 | 0 | 0 | 0 | 112.7 | F181 G182 | F181-S184 WeakPolarHBondContact O-CB 3.25Å; F181-S184 PolarHBondContact O-N 3.03Å; F181-S184 VanDerWaalsContact O-N 3.14Å; G182-S184 PolarHBondContact O-N 3.3Å |
| 185 | C | 94.3 | Very high | 92.4 | Very high | 25 Ų | 25 | 91.9 Ų | 91.9 | 17% | 0.169 | 49% | 0.486 | C | S | . | . | trans | -66.6 | 134.7 | 175.5 | -159.8 | 0 | 0 | 0 | 0 | 111.4 | C170 C179 F181 G182 D183 F187 H189 | C170-C185 VanDerWaalsContact SG-SG 3.68Å; C179-C185 VanDerWaalsContact SG-SG 3.66Å; F181-C185 HydrophobicContact CB-CB 4.22Å; G182-C185 WeakPolarHBondContact O-CB 3.33Å; G182-C185 PolarHBondContact O-N 3.32Å; G182-C185 VanDerWaalsContact O-N 3.07Å; D183-C185 VanDerWaalsContact C-N 3.33Å; C185-F187 VanDerWaalsContact C-N 3.25Å; C185-F187 PolarHBondContact O-N 2.81Å; C185-H189 WeakPolarHBondContact CB-NE2 3.44Å | ||
| 186 | I | 94.6 | Very high | 92.4 | Very high | 148 Ų | 148 | 88.7 Ų | 88.7 | 76% | 0.759 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -79.2 | -8.6 | 174 | 64.5 | 171.8 | 0 | 0 | 0 | 113.3 | ||
| 187 | F | 94.5 | Very high | 92.3 | Very high | 76 Ų | 76 | 85.8 Ų | 85.8 | 33% | 0.333 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -108.1 | 147.4 | -176.6 | -56.6 | -67 | 0 | 0 | 0 | 110.9 | D168 C170 C185 H189 | D168-F187 HydrophobicContact CB-CD1 4.15Å; D168-F187 CarbonylContact O-C 3.55Å; D168-F187 WeakPolarHBondContact O-CA 3.07Å; C170-F187 HydrophobicContact CB-CB 3.83Å; C185-F187 VanDerWaalsContact C-N 3.25Å; C185-F187 PolarHBondContact O-N 2.81Å; F187-H189 PolarHBondContact O-N 2.91Å |
| 188 | L | 93.2 | Very high | 92.3 | Very high | 109 Ų | 109 | 89.3 Ų | 89.3 | 57% | 0.571 | 47% | 0.466 | S | S | * | . | B | Isolated β-bridge | trans | -62.3 | 127.6 | -176.5 | -174.4 | 65 | 0 | 0 | 0 | 111.9 | D168 C170 D190 | D168-L188 WeakPolarHBondContact O-CB 3.24Å; D168-L188 PolarHBondContact O-N 3.02Å; C170-L188 PolarHBondContact N-O 3.31Å; L188-D190 VanDerWaalsContact C-N 3.26Å; L188-D190 HydrophobicContact CD2-CB 4.17Å; L188-D190 HydrophobicContact CG-CB 4.16Å; L188-D190 PolarHBondContact O-N 3.33Å |
| 189 | H | 94.6 | Very high | 92.2 | Very high | 56 Ų | 56 | 84.7 Ų | 84.7 | 26% | 0.259 | 45% | 0.446 | S | S | . | . | trans | -82.3 | 67.4 | 174 | -77.5 | -179.5 | 0 | 0 | 0 | 111.7 | Y173 C179 G182 C185 F187 | Y173-H189 HydrophobicContact CD1-CB 3.76Å; Y173-H189 HydrophobicContact CD2-CB 4.29Å; Y173-H189 AromaticContact CD2-CD2 3.94Å; Y173-H189 AromaticContact CD2-CG 3.87Å; Y173-H189 HydrophobicContact CE1-CB 3.69Å; Y173-H189 WeakPolarHBondContact CE1-O 3.42Å; Y173-H189 HydrophobicContact CE2-CB 4.23Å; Y173-H189 HydrophobicContact CG-CB 4.06Å; Y173-H189 AromaticContact CG-CD2 3.75Å; Y173-H189 AromaticContact CG-CG 3.88Å; C179-H189 VanDerWaalsContact CB-NE2 3.25Å; C179-H189 WeakPolarHBondContact CB-NE2 3.29Å; G182-H189 PolarHBondContact O-CE1 2.76Å; C185-H189 WeakPolarHBondContact CB-NE2 3.44Å; F187-H189 PolarHBondContact O-N 2.91Å | ||
| 190 | D | 92.2 | Very high | 92 | Very high | 57 Ų | 57 | 87.3 Ų | 87.3 | 31% | 0.305 | 46% | 0.46 | S | S | . | . | trans | -108 | 148.2 | 172 | -169.9 | 11.3 | 0 | 0 | 0 | 111 | L188 S192 | L188-D190 VanDerWaalsContact C-N 3.26Å; L188-D190 HydrophobicContact CD2-CB 4.17Å; L188-D190 HydrophobicContact CG-CB 4.16Å; L188-D190 PolarHBondContact O-N 3.33Å; D190-S192 WeakPolarHBondContact OD1-CB 3.45Å; D190-S192 PolarHBondContact OD1-N 3.48Å; D190-S192 WeakPolarHBondContact OD2-CB 3.35Å; D190-S192 PolarHBondContact OD2-OG 3.21Å | ||
| 191 | R | 91 | Very high | 91.9 | Very high | 127 Ų | 127 | 89 Ų | 89 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | trans | -113.6 | 1.7 | 171.3 | -66.9 | -169.4 | -169.5 | 76.3 | 2.4 | 113 | Y173 G177 D193 | Y173-R191 HydrophobicContact CD1-CG 4.08Å; Y173-R191 HydrophobicContact CE1-CG 3.94Å; Y173-R191 VanDerWaalsContact CZ-CZ 3.44Å; Y173-R191 PolarHBondContact OH-NH1 2.89Å; Y173-R191 PolarHBondContact OH-NH2 3.12Å; G177-R191 PolarHBondContact O-NH2 3.37Å; R191-D193 PolarHBondContact O-N 3.42Å | ||
| 192 | S | 89.9 | Confident | 91.8 | Very high | 28 Ų | 28 | 88.7 Ų | 88.7 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | trans | -57.8 | 138.9 | 178.2 | 77 | 0 | 0 | 0 | 0 | 111.9 | K174 D190 | K174-S192 WeakPolarHBondContact CE-O 3.47Å; K174-S192 PolarHBondContact NZ-O 3.04Å; D190-S192 WeakPolarHBondContact OD1-CB 3.45Å; D190-S192 PolarHBondContact OD1-N 3.48Å; D190-S192 WeakPolarHBondContact OD2-CB 3.35Å; D190-S192 PolarHBondContact OD2-OG 3.21Å | ||
| 193 | D | 86.9 | Confident | 91.7 | Very high | 141 Ų | 141 | 88.6 Ų | 88.6 | 75% | 0.754 | 44% | 0.436 | S | S | * | . | trans | -109.2 | 16.5 | -175.2 | 60.5 | -24.5 | 0 | 0 | 0 | 112.7 | R191 | R191-D193 PolarHBondContact O-N 3.42Š| ||
| 194 | Y | 87.9 | Confident | 91.7 | Very high | 185 Ų | 185 | 89.5 Ų | 89.5 | 73% | 0.725 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 138.1 | 175.9 | -59.6 | -56.7 | 0 | 0 | 0 | 112.7 | ||
| 195 | K | 88.8 | Confident | 91.6 | Very high | 67 Ų | 67 | 92.5 Ų | 92.5 | 29% | 0.291 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 137.6 | 175.7 | -61.6 | -177.4 | 179.9 | -170.2 | 0 | 111.1 | E199 L200 E203 E212 | K195-E199 VanDerWaalsContact CA-OE2 3.24Å; K195-E199 WeakPolarHBondContact CA-OE2 3.42Å; K195-E199 HydrophobicContact CB-CB 4.32Å; K195-L200 HydrophobicContact CB-CD2 3.66Å; K195-L200 HydrophobicContact CB-CG 4Å; K195-L200 HydrophobicContact CD-CD2 3.81Å; K195-L200 HydrophobicContact CG-CD2 4.34Å; K195-E203 WeakPolarHBondContact CD-OE1 3.4Å; K195-E203 WeakPolarHBondContact CE-OE1 3.24Å; K195-E203 IonicContact NZ-OE1 3.54Å; K195-E203 PolarHBondContact NZ-OE1 3.08Å; K195-E203 IonicContact NZ-OE2 2.8Å; K195-E203 PolarHBondContact NZ-OE2 2.97Å; K195-E212 IonicContact NZ-OE2 3.99Å; K195-E212 PolarHBondContact NZ-OE2 3.18Å |
| 196 | H | 90.7 | Very high | 91.5 | Very high | 60 Ų | 60 | 97.6 Ų | 97.6 | 28% | 0.278 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 156.5 | 176.8 | -59 | 96.9 | 0 | 0 | 0 | 111.5 | W198 E199 L200 | H196-W198 VanDerWaalsContact C-N 3.27Å; H196-W198 HydrophobicContact CB-CG 4.42Å; H196-W198 AromaticContact CG-NE1 3.85Å; H196-W198 PolarHBondContact O-N 3.13Å; H196-E199 HydrophobicContact CB-CG 4.22Å; H196-E199 IonicContact CE1-OE1 3.69Å; H196-E199 IonicContact CG-OE1 2.94Å; H196-E199 IonicContact CG-OE2 3.99Å; H196-E199 PolarHBondContact N-OE2 2.92Å; H196-E199 VanDerWaalsContact ND1-CD 3.31Å; H196-E199 IonicContact ND1-OE1 2.98Å; H196-E199 PolarHBondContact ND1-OE1 3.25Å; H196-E199 IonicContact ND1-OE2 3.12Å; H196-E199 PolarHBondContact ND1-OE2 3.14Å; H196-E199 WeakPolarHBondContact O-CA 3.45Å; H196-E199 WeakPolarHBondContact O-CB 3.48Å; H196-E199 PolarHBondContact O-N 3.33Å; H196-L200 PolarHBondContact O-N 3.02Å |
| 197 | G | 91.8 | Very high | 91.1 | Very high | 37 Ų | 37 | 92.4 Ų | 92.4 | 38% | 0.381 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -51.5 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E199 L200 E201 | G197-E199 VanDerWaalsContact C-N 3.3Å; G197-E199 PolarHBondContact O-N 3.39Å; G197-L200 PolarHBondContact O-N 2.72Å; G197-E201 WeakPolarHBondContact O-CB 3.43Å; G197-E201 VanDerWaalsContact O-CG 3.24Å; G197-E201 WeakPolarHBondContact O-CG 3.32Å; G197-E201 PolarHBondContact O-N 3.35Å |
| 198 | W | 91.2 | Very high | 90.6 | Very high | 98 Ų | 98 | 94.8 Ų | 94.8 | 37% | 0.371 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70 | -22 | 178 | 68.9 | -95.6 | 0 | 0 | 0 | 114.2 | Y165 H196 R202 | Y165-W198 HydrophobicContact CD1-CB 4.06Å; Y165-W198 HydrophobicContact CD1-CG 4.47Å; Y165-W198 HydrophobicContact CE1-CB 4.03Å; H196-W198 VanDerWaalsContact C-N 3.27Å; H196-W198 HydrophobicContact CB-CG 4.42Å; H196-W198 AromaticContact CG-NE1 3.85Å; H196-W198 PolarHBondContact O-N 3.13Å; W198-R202 VanDerWaalsContact CZ3-NH2 3.33Å; W198-R202 WeakPolarHBondContact O-CB 3.45Å; W198-R202 PolarHBondContact O-N 3.23Å |
| 199 | E | 91 | Very high | 90.1 | Very high | 50 Ų | 50 | 95.4 Ų | 95.4 | 23% | 0.234 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -76.9 | -44.6 | 173.4 | -65.4 | 160.6 | -172.2 | 0 | 0 | 109.2 | K195 H196 G197 R202 E203 | K195-E199 VanDerWaalsContact CA-OE2 3.24Å; K195-E199 WeakPolarHBondContact CA-OE2 3.42Å; K195-E199 HydrophobicContact CB-CB 4.32Å; H196-E199 HydrophobicContact CB-CG 4.22Å; H196-E199 IonicContact CE1-OE1 3.69Å; H196-E199 IonicContact CG-OE1 2.94Å; H196-E199 IonicContact CG-OE2 3.99Å; H196-E199 PolarHBondContact N-OE2 2.92Å; H196-E199 VanDerWaalsContact ND1-CD 3.31Å; H196-E199 IonicContact ND1-OE1 2.98Å; H196-E199 PolarHBondContact ND1-OE1 3.25Å; H196-E199 IonicContact ND1-OE2 3.12Å; H196-E199 PolarHBondContact ND1-OE2 3.14Å; H196-E199 WeakPolarHBondContact O-CA 3.45Å; H196-E199 WeakPolarHBondContact O-CB 3.48Å; H196-E199 PolarHBondContact O-N 3.33Å; G197-E199 VanDerWaalsContact C-N 3.3Å; G197-E199 PolarHBondContact O-N 3.39Å; E199-R202 PolarHBondContact O-N 3.14Å; E199-E203 WeakPolarHBondContact O-CG 3.48Å; E199-E203 PolarHBondContact O-N 3.05Å |
| 200 | L | 91.4 | Very high | 89.3 | Confident | 60 Ų | 60 | 93.8 Ų | 93.8 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.2 | -61.5 | -179.3 | 0 | 0 | 0 | 112.6 | K195 H196 G197 R202 E203 W204 Y209 | K195-L200 HydrophobicContact CB-CD2 3.66Å; K195-L200 HydrophobicContact CB-CG 4Å; K195-L200 HydrophobicContact CD-CD2 3.81Å; K195-L200 HydrophobicContact CG-CD2 4.34Å; H196-L200 PolarHBondContact O-N 3.02Å; G197-L200 PolarHBondContact O-N 2.72Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 3.48Å; L200-E203 PolarHBondContact O-N 3.45Å; L200-W204 WeakPolarHBondContact O-CB 3.45Å; L200-W204 PolarHBondContact O-N 3.33Å; L200-Y209 HydrophobicContact CB-CE2 4.42Å; L200-Y209 HydrophobicContact CD2-CD2 4.22Å; L200-Y209 HydrophobicContact CD2-CE2 4Å |
| 201 | E | 92.2 | Very high | 88.5 | Confident | 99 Ų | 99 | 96.7 Ų | 96.7 | 46% | 0.463 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -55.1 | -46 | 172.5 | -75.4 | 167 | -138.6 | 0 | 0 | 110.6 | Y165 G197 W204 E205 | Y165-E201 WeakPolarHBondContact CE1-OE1 3.35Å; Y165-E201 PolarHBondContact OH-OE1 2.83Å; Y165-E201 PolarHBondContact OH-OE2 3.29Å; G197-E201 WeakPolarHBondContact O-CB 3.43Å; G197-E201 VanDerWaalsContact O-CG 3.24Å; G197-E201 WeakPolarHBondContact O-CG 3.32Å; G197-E201 PolarHBondContact O-N 3.35Å; E201-W204 WeakPolarHBondContact O-CB 3.29Å; E201-W204 PolarHBondContact O-N 3.27Å; E201-E205 WeakPolarHBondContact O-CG 3.39Å; E201-E205 PolarHBondContact O-N 3.31Å |
| 202 | R | 91.9 | Very high | 87.3 | Confident | 139 Ų | 139 | 91.7 Ų | 91.7 | 53% | 0.525 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 177.6 | -175.1 | -175.1 | -60.4 | 168.6 | 5.3 | 112.9 | W198 E199 L200 W204 E205 L206 | W198-R202 VanDerWaalsContact CZ3-NH2 3.33Å; W198-R202 WeakPolarHBondContact O-CB 3.45Å; W198-R202 PolarHBondContact O-N 3.23Å; E199-R202 PolarHBondContact O-N 3.14Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 3.48Å; R202-W204 PolarHBondContact O-N 3.2Å; R202-E205 PolarHBondContact O-N 3.24Å; R202-L206 HydrophobicContact CG-CD1 3.96Å; R202-L206 HydrophobicContact CG-CG 4.47Å; R202-L206 WeakPolarHBondContact O-CB 3.28Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 2.9Å |
| 203 | E | 91.6 | Very high | 86.4 | Confident | 29 Ų | 29 | 95.8 Ų | 95.8 | 14% | 0.136 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.8 | -31.9 | 176.4 | -76.4 | 178.6 | -163.8 | 0 | 0 | 112.1 | K195 E199 L200 G207 R208 Y209 | K195-E203 WeakPolarHBondContact CD-OE1 3.4Å; K195-E203 WeakPolarHBondContact CE-OE1 3.24Å; K195-E203 IonicContact NZ-OE1 3.54Å; K195-E203 PolarHBondContact NZ-OE1 3.08Å; K195-E203 IonicContact NZ-OE2 2.8Å; K195-E203 PolarHBondContact NZ-OE2 2.97Å; E199-E203 WeakPolarHBondContact O-CG 3.48Å; E199-E203 PolarHBondContact O-N 3.05Å; L200-E203 PolarHBondContact O-N 3.45Å; E203-G207 PolarHBondContact O-N 3.39Å; E203-G207 VanDerWaalsContact O-N 3.14Å; E203-R208 PolarHBondContact O-N 3.02Å; E203-Y209 PolarHBondContact O-N 3.48Å |
| 204 | W | 91.3 | Very high | 85.4 | Confident | 184 Ų | 184 | 96.3 Ų | 96.3 | 70% | 0.697 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.4 | -47.6 | 172.9 | -171.6 | -88.9 | 0 | 0 | 0 | 111.6 | L200 E201 R202 L206 G207 Y209 | L200-W204 WeakPolarHBondContact O-CB 3.45Å; L200-W204 PolarHBondContact O-N 3.33Å; E201-W204 WeakPolarHBondContact O-CB 3.29Å; E201-W204 PolarHBondContact O-N 3.27Å; R202-W204 PolarHBondContact O-N 3.2Å; W204-L206 VanDerWaalsContact C-N 3.3Å; W204-L206 PolarHBondContact O-N 3.07Å; W204-G207 PolarHBondContact O-N 2.96Å; W204-Y209 AromaticContact CE3-CD1 3.77Å; W204-Y209 HydrophobicContact CE3-CD1 3.77Å; W204-Y209 HydrophobicContact CE3-CD2 4.29Å; W204-Y209 HydrophobicContact CE3-CE1 4.26Å; W204-Y209 AromaticContact CE3-CG 3.79Å; W204-Y209 HydrophobicContact CE3-CG 3.79Å; W204-Y209 AromaticContact CZ3-CD1 3.86Å; W204-Y209 HydrophobicContact CZ3-CD1 3.86Å; W204-Y209 HydrophobicContact CZ3-CE1 4.12Å; W204-Y209 HydrophobicContact CZ3-CG 4.37Å |
| 205 | E | 92.5 | Very high | 84.4 | Confident | 168 Ų | 168 | 91.8 Ų | 91.8 | 79% | 0.785 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60 | -37.5 | 175.4 | -74.9 | -174.2 | 158.5 | 0 | 0 | 113.2 | E201 R202 G207 | E201-E205 WeakPolarHBondContact O-CG 3.39Å; E201-E205 PolarHBondContact O-N 3.31Å; R202-E205 PolarHBondContact O-N 3.24Å; E205-G207 VanDerWaalsContact C-N 3.29Å |
| 206 | L | 92.6 | Very high | 83.4 | Confident | 132 Ų | 132 | 94 Ų | 94 | 69% | 0.691 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -6.4 | 175.6 | -67.2 | 173.9 | 0 | 0 | 0 | 113.6 | R202 W204 R208 | R202-L206 HydrophobicContact CG-CD1 3.96Å; R202-L206 HydrophobicContact CG-CG 4.47Å; R202-L206 WeakPolarHBondContact O-CB 3.28Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 2.9Å; W204-L206 VanDerWaalsContact C-N 3.3Å; W204-L206 PolarHBondContact O-N 3.07Å; L206-R208 PolarHBondContact O-N 3.09Å |
| 207 | G | 86.9 | Confident | 82.3 | Confident | 38 Ų | 38 | 97 Ų | 97 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 30.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E203 W204 E205 K211 | E203-G207 PolarHBondContact O-N 3.39Å; E203-G207 VanDerWaalsContact O-N 3.14Å; W204-G207 PolarHBondContact O-N 2.96Å; E205-G207 VanDerWaalsContact C-N 3.29Å; G207-K211 VanDerWaalsContact O-CE 3.28Å; G207-K211 WeakPolarHBondContact O-CE 3.46Å; G207-K211 PolarHBondContact O-NZ 2.99Å |
| 208 | R | 84 | Confident | 81.2 | Confident | 127 Ų | 127 | 99.1 Ų | 99.1 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | trans | -101.1 | -20.3 | 175.7 | -156.6 | -174.8 | -169.8 | -165.2 | 4.9 | 113.2 | E203 L206 G210 K211 E212 | E203-R208 PolarHBondContact O-N 3.02Å; L206-R208 PolarHBondContact O-N 3.09Å; R208-G210 PolarHBondContact O-N 3.2Å; R208-K211 WeakPolarHBondContact O-CB 3.3Å; R208-K211 PolarHBondContact O-N 2.8Å; R208-E212 HydrophobicContact CG-CG 4.26Å; R208-E212 IonicContact CZ-OE1 3.57Å; R208-E212 IonicContact NE-OE1 3.68Å; R208-E212 PolarHBondContact NE-OE1 2.76Å; R208-E212 IonicContact NH1-OE1 2.75Å; R208-E212 PolarHBondContact NH1-OE1 3.31Å; R208-E212 IonicContact NH2-OE1 3.59Å | ||
| 209 | Y | 81.5 | Confident | 80.1 | Confident | 121 Ų | 121 | 102.7 Ų | 102.7 | 48% | 0.475 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | 128.6 | 176.8 | -176.4 | -84.6 | 0 | 0 | 0 | 111.5 | L200 E203 W204 K211 | L200-Y209 HydrophobicContact CB-CE2 4.42Å; L200-Y209 HydrophobicContact CD2-CD2 4.22Å; L200-Y209 HydrophobicContact CD2-CE2 4Å; E203-Y209 PolarHBondContact O-N 3.48Å; W204-Y209 AromaticContact CE3-CD1 3.77Å; W204-Y209 HydrophobicContact CE3-CD1 3.77Å; W204-Y209 HydrophobicContact CE3-CD2 4.29Å; W204-Y209 HydrophobicContact CE3-CE1 4.26Å; W204-Y209 AromaticContact CE3-CG 3.79Å; W204-Y209 HydrophobicContact CE3-CG 3.79Å; W204-Y209 AromaticContact CZ3-CD1 3.86Å; W204-Y209 HydrophobicContact CZ3-CD1 3.86Å; W204-Y209 HydrophobicContact CZ3-CE1 4.12Å; W204-Y209 HydrophobicContact CZ3-CG 4.37Å; Y209-K211 VanDerWaalsContact C-N 3.26Å; Y209-K211 PolarHBondContact O-N 3.34Å |
| 210 | G | 77.9 | Confident | 79.1 | Confident | 23 Ų | 23 | 104.7 Ų | 104.7 | 24% | 0.237 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -31.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R208 E212 D213 E214 | R208-G210 PolarHBondContact O-N 3.2Å; G210-E212 VanDerWaalsContact C-N 3.31Å; G210-E212 PolarHBondContact O-N 3.46Å; G210-D213 WeakPolarHBondContact O-CB 3.27Å; G210-D213 PolarHBondContact O-N 2.86Å; G210-E214 PolarHBondContact O-N 3.22Å |
| 211 | K | 75.5 | Confident | 77.8 | Confident | 118 Ų | 118 | 109.6 Ų | 109.6 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -35.1 | -177 | -64.7 | -179.1 | 178.6 | 161.1 | 0 | 112.9 | G207 R208 Y209 D213 E214 D215 | G207-K211 VanDerWaalsContact O-CE 3.28Å; G207-K211 WeakPolarHBondContact O-CE 3.46Å; G207-K211 PolarHBondContact O-NZ 2.99Å; R208-K211 WeakPolarHBondContact O-CB 3.3Å; R208-K211 PolarHBondContact O-N 2.8Å; Y209-K211 VanDerWaalsContact C-N 3.26Å; Y209-K211 PolarHBondContact O-N 3.34Å; K211-D213 PolarHBondContact O-N 2.94Å; K211-E214 PolarHBondContact O-N 2.93Å; K211-D215 PolarHBondContact O-N 3.16Å |
| 212 | E | 66.9 | Low | 76.2 | Confident | 22 Ų | 22 | 110.8 Ų | 110.8 | 10% | 0.103 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -66.4 | -12.3 | 174.8 | -69.8 | -164 | 179.5 | 0 | 0 | 114.4 | K195 R208 G210 K218 | K195-E212 IonicContact NZ-OE2 3.99Å; K195-E212 PolarHBondContact NZ-OE2 3.18Å; R208-E212 HydrophobicContact CG-CG 4.26Å; R208-E212 IonicContact CZ-OE1 3.57Å; R208-E212 IonicContact NE-OE1 3.68Å; R208-E212 PolarHBondContact NE-OE1 2.76Å; R208-E212 IonicContact NH1-OE1 2.75Å; R208-E212 PolarHBondContact NH1-OE1 3.31Å; R208-E212 IonicContact NH2-OE1 3.59Å; G210-E212 VanDerWaalsContact C-N 3.31Å; G210-E212 PolarHBondContact O-N 3.46Å; E212-K218 HydrophobicContact CB-CD 4.44Å; E212-K218 VanDerWaalsContact O-CD 3.25Å; E212-K218 WeakPolarHBondContact O-CD 3.28Å; E212-K218 IonicContact OE2-NZ 3.83Å; E212-K218 PolarHBondContact OE2-NZ 2.77Å |
| 213 | D | 70.3 | Confident | 74.6 | Confident | 114 Ų | 114 | 112.5 Ų | 112.5 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -101.9 | -15.9 | 179.6 | -47.4 | -54.7 | 0 | 0 | 0 | 111 | G210 K211 | G210-D213 WeakPolarHBondContact O-CB 3.27Å; G210-D213 PolarHBondContact O-N 2.86Å; K211-D213 PolarHBondContact O-N 2.94Å |
| 214 | E | 64.9 | Low | 72.8 | Confident | 152 Ų | 152 | 119.6 Ų | 119.6 | 71% | 0.71 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.6 | -27.1 | 167.4 | -63.5 | 175.7 | 158.9 | 0 | 0 | 111.9 | G210 K211 V216 | G210-E214 PolarHBondContact O-N 3.22Å; K211-E214 PolarHBondContact O-N 2.93Å; E214-V216 VanDerWaalsContact C-N 3.28Å; E214-V216 PolarHBondContact O-N 3.04Å |
| 215 | D | 68.3 | Low | 70.8 | Confident | 90 Ų | 90 | 118.7 Ų | 118.7 | 48% | 0.481 | 57% | 0.573 | S | S | . | * | trans | -70.1 | 73.4 | 176 | -73.7 | -37.6 | 0 | 0 | 0 | 111.7 | K211 H217 K218 | K211-D215 PolarHBondContact O-N 3.16Å; D215-H217 PolarHBondContact O-N 3.15Å; D215-H217 VanDerWaalsContact O-N 3.08Å; D215-K218 HydrophobicContact CB-CB 4Å; D215-K218 WeakPolarHBondContact O-CB 3.15Å; D215-K218 PolarHBondContact O-N 2.77Å | ||
| 216 | V | 68 | Low | 68.9 | Low | 112 Ų | 112 | 118.2 Ų | 118.2 | 68% | 0.679 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -50.7 | -37.6 | 179.9 | -179.4 | 0 | 0 | 0 | 0 | 112.5 | E214 K218 | E214-V216 VanDerWaalsContact C-N 3.28Å; E214-V216 PolarHBondContact O-N 3.04Å; V216-K218 VanDerWaalsContact C-N 3.26Å; V216-K218 PolarHBondContact O-N 2.86Å |
| 217 | H | 67.4 | Low | 67.2 | Low | 123 Ų | 123 | 121.7 Ų | 121.7 | 57% | 0.569 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -74.6 | -6.2 | -179.8 | -54.7 | -71.6 | 0 | 0 | 0 | 114.3 | D215 Y219 E220 | D215-H217 PolarHBondContact O-N 3.15Å; D215-H217 VanDerWaalsContact O-N 3.08Å; H217-Y219 PolarHBondContact O-N 2.72Å; H217-Y219 VanDerWaalsContact O-N 3.13Å; H217-E220 IonicContact CE1-OE1 2.7Å; H217-E220 IonicContact CE1-OE2 2.72Å; H217-E220 IonicContact CG-OE2 3.23Å; H217-E220 IonicContact ND1-OE1 3.87Å; H217-E220 PolarHBondContact ND1-OE1 2.94Å; H217-E220 IonicContact ND1-OE2 3.82Å; H217-E220 PolarHBondContact ND1-OE2 3.07Å; H217-E220 WeakPolarHBondContact O-CB 3.32Å; H217-E220 PolarHBondContact O-N 2.98Å |
| 218 | K | 68.1 | Low | 66 | Low | 82 Ų | 82 | 126.5 Ų | 126.5 | 36% | 0.357 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -57.8 | -29.2 | -177.2 | -178.1 | -175.8 | 178.4 | -161.7 | 0 | 114 | E212 D215 V216 | E212-K218 HydrophobicContact CB-CD 4.44Å; E212-K218 VanDerWaalsContact O-CD 3.25Å; E212-K218 WeakPolarHBondContact O-CD 3.28Å; E212-K218 IonicContact OE2-NZ 3.83Å; E212-K218 PolarHBondContact OE2-NZ 2.77Å; D215-K218 HydrophobicContact CB-CB 4Å; D215-K218 WeakPolarHBondContact O-CB 3.15Å; D215-K218 PolarHBondContact O-N 2.77Å; V216-K218 VanDerWaalsContact C-N 3.26Å; V216-K218 PolarHBondContact O-N 2.86Å |
| 219 | Y | 68 | Low | 65.5 | Low | 174 Ų | 174 | 123.7 Ų | 123.7 | 68% | 0.682 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -111.4 | 6.2 | 178.4 | -51.2 | -71.3 | 0 | 0 | 0 | 112.9 | H217 I221 | H217-Y219 PolarHBondContact O-N 2.72Å; H217-Y219 VanDerWaalsContact O-N 3.13Å; Y219-I221 PolarHBondContact O-N 2.7Å |
| 220 | E | 70.7 | Confident | 65.5 | Low | 92 Ų | 92 | 123.2 Ų | 123.2 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | trans | -69.7 | 113.1 | 166.6 | -74.7 | 179.8 | -172.6 | 0 | 0 | 108 | H217 H222 | H217-E220 IonicContact CE1-OE1 2.7Å; H217-E220 IonicContact CE1-OE2 2.72Å; H217-E220 IonicContact CG-OE2 3.23Å; H217-E220 IonicContact ND1-OE1 3.87Å; H217-E220 PolarHBondContact ND1-OE1 2.94Å; H217-E220 IonicContact ND1-OE2 3.82Å; H217-E220 PolarHBondContact ND1-OE2 3.07Å; H217-E220 WeakPolarHBondContact O-CB 3.32Å; H217-E220 PolarHBondContact O-N 2.98Å; E220-H222 PolarHBondContact O-N 3.22Å; E220-H222 IonicContact OE2-CE1 2.62Å; E220-H222 IonicContact OE2-ND1 2.66Å | ||
| 221 | I | 64.6 | Low | 66 | Low | 162 Ų | 162 | 125.4 Ų | 125.4 | 83% | 0.831 | 61% | 0.608 | S | S | * | * | trans | -67.4 | 90.7 | 160.6 | -55.9 | 174.3 | 0 | 0 | 0 | 105.2 | Y219 E223 | Y219-I221 PolarHBondContact O-N 2.7Å; I221-E223 PolarHBondContact O-N 2.9Å | ||
| 222 | H | 57.4 | Low | 66.7 | Low | 125 Ų | 125 | 119.8 Ų | 119.8 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | trans | -55.8 | 116.5 | 160.4 | -67.2 | -29.7 | 0 | 0 | 0 | 106.6 | E220 E224 | E220-H222 PolarHBondContact O-N 3.22Å; E220-H222 IonicContact OE2-CE1 2.62Å; E220-H222 IonicContact OE2-ND1 2.66Å; H222-E224 PolarHBondContact O-N 3.3Å | ||
| 223 | E | 58 | Low | 67.8 | Low | 175 Ų | 175 | 121.1 Ų | 121.1 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -59.2 | 99.8 | 155.6 | -66.9 | -175.2 | 177.6 | 0 | 0 | 105.1 | I221 E225 | I221-E223 PolarHBondContact O-N 2.9Å; E223-E225 PolarHBondContact O-N 3.15Å | ||
| 224 | E | 53.3 | Low | 68.8 | Low | 178 Ų | 178 | 118.2 Ų | 118.2 | 83% | 0.832 | 58% | 0.578 | S | S | * | * | trans | -66.7 | 80.6 | 166.8 | -71.1 | -163.2 | 150.4 | 0 | 0 | 106.7 | H222 E226 | H222-E224 PolarHBondContact O-N 3.3Å; E224-E226 VanDerWaalsContact C-N 3.34Å; E224-E226 PolarHBondContact O-N 3.26Å | ||
| 225 | E | 50.2 | Low | 70 | Confident | 165 Ų | 165 | 113.2 Ų | 113.2 | 77% | 0.771 | 56% | 0.559 | S | S | * | * | trans | -45.7 | 104.6 | 160.4 | -68.3 | -173.7 | 144.7 | 0 | 0 | 105.9 | E223 K227 | E223-E225 PolarHBondContact O-N 3.15Å; E225-K227 WeakPolarHBondContact O-CA 3.17Å; E225-K227 WeakPolarHBondContact O-CG 3.25Å; E225-K227 PolarHBondContact O-N 2.92Å | ||
| 226 | E | 52.4 | Low | 70.9 | Confident | 157 Ų | 157 | 117 Ų | 117 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | trans | -52.6 | 105.1 | -173.7 | -71.6 | -169.4 | 148.6 | 0 | 0 | 107.2 | E224 M228 | E224-E226 VanDerWaalsContact C-N 3.34Å; E224-E226 PolarHBondContact O-N 3.26Å; E226-M228 PolarHBondContact O-N 3.28Å | ||
| 227 | K | 57.9 | Low | 71.8 | Confident | 205 Ų | 205 | 115.9 Ų | 115.9 | 89% | 0.891 | 56% | 0.562 | S | S | * | * | trans | -65.3 | 87.3 | -162.9 | -77.4 | -178.8 | 177.3 | 163.1 | 0 | 110.3 | E225 | E225-K227 WeakPolarHBondContact O-CA 3.17Å; E225-K227 WeakPolarHBondContact O-CG 3.25Å; E225-K227 PolarHBondContact O-N 2.92Å | ||
| 228 | M | 61.3 | Low | 72.8 | Confident | 139 Ų | 139 | 114 Ų | 114 | 69% | 0.685 | 56% | 0.56 | S | S | * | * | trans | -55.5 | 124.3 | -177 | 62.1 | -162.5 | -58.4 | 0 | 0 | 106.9 | E226 T230 | E226-M228 PolarHBondContact O-N 3.28Å; M228-T230 PolarHBondContact O-N 3.12Å | ||
| 229 | P | 73.9 | Confident | 73.7 | Confident | 68 Ų | 68 | 112.3 Ų | 112.3 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | trans | -52.1 | 136.2 | 175.5 | -26.9 | 35 | 0 | 0 | 0 | 108.9 | F239 | P229-F239 HydrophobicContact CB-CE2 4.18Å; P229-F239 HydrophobicContact CB-CZ 4.27Å; P229-F239 WeakPolarHBondContact O-CE2 3.44Å | ||
| 230 | T | 80.4 | Confident | 74.6 | Confident | 111 Ų | 111 | 110 Ų | 110 | 68% | 0.681 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -68.9 | -32.2 | 172 | 44 | 0 | 0 | 0 | 0 | 110.9 | M228 P238 F239 | M228-T230 PolarHBondContact O-N 3.12Å; T230-P238 WeakPolarHBondContact O-CA 3.1Å; T230-F239 WeakPolarHBondContact O-CD2 3.38Å |
| 231 | D | 88.6 | Confident | 75.5 | Confident | 70 Ų | 70 | 110.8 Ų | 110.8 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | B | Isolated β-bridge | trans | -124.2 | 141.1 | -168.5 | -60.1 | -79.8 | 0 | 0 | 0 | 112.8 | Q237 F239 | D231-Q237 WeakPolarHBondContact CA-O 3.32Å; D231-Q237 VanDerWaalsContact OD1-C 3.32Å; D231-F239 VanDerWaalsContact C-CZ 3.46Å; D231-F239 WeakPolarHBondContact O-CE2 3.22Å; D231-F239 WeakPolarHBondContact O-CZ 3.38Å |
| 232 | C | 90.7 | Very high | 76.7 | Confident | 0 Ų | 0 | 104.4 Ų | 104.4 | 0% | 0 | 52% | 0.522 | C | S | . | . | trans | -68 | 122.8 | 177 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | I234 C235 Q236 Q237 F239 C252 | C232-I234 PolarHBondContact O-N 3.26Å; C232-C235 VanDerWaalsContact CB-SG 3.6Å; C232-C235 PolarHBondContact O-N 2.98Å; C232-C235 VanDerWaalsContact O-N 3.07Å; C232-C235 VanDerWaalsContact SG-SG 3.7Å; C232-Q236 PolarHBondContact O-N 3.17Å; C232-Q237 PolarHBondContact N-O 3.42Å; C232-F239 VanDerWaalsContact CA-CZ 3.42Å; C232-F239 HydrophobicContact CB-CD1 4.05Å; C232-F239 HydrophobicContact CB-CE1 3.71Å; C232-F239 HydrophobicContact CB-CZ 4.07Å; C232-C252 WeakPolarHBondContact CB-SG 3.27Å; C232-C252 PolarHBondContact SG-N 3.16Å; C232-C252 VanDerWaalsContact SG-N 3.38Å | ||
| 233 | P | 89.7 | Confident | 78.3 | Confident | 50 Ų | 50 | 99 Ų | 99 | 33% | 0.325 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.9 | -173 | 26.9 | -36.7 | 0 | 0 | 0 | 114.1 | F251 F267 V268 | P233-F251 HydrophobicContact CG-CD1 3.94Å; P233-F251 HydrophobicContact CG-CE1 3.66Å; P233-F267 HydrophobicContact CB-CD1 4.26Å; P233-F267 HydrophobicContact CB-CE1 4.24Å; P233-F267 HydrophobicContact CG-CD1 4.46Å; P233-F267 VanDerWaalsContact O-CE1 3.26Å; P233-F267 WeakPolarHBondContact O-CE1 3.36Å; P233-V268 HydrophobicContact CB-CG2 4.3Å; P233-V268 HydrophobicContact CG-CG2 3.87Å |
| 234 | I | 90.5 | Very high | 79.9 | Confident | 52 Ų | 52 | 92.6 Ų | 92.6 | 27% | 0.267 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -29.8 | 177 | -65 | 171.3 | 0 | 0 | 0 | 112.4 | C232 F251 C255 H259 F267 | C232-I234 PolarHBondContact O-N 3.26Å; I234-F251 HydrophobicContact CD1-CD1 3.39Å; I234-F251 HydrophobicContact CD1-CE1 3.75Å; I234-F251 HydrophobicContact CD1-CG 4.21Å; I234-F251 HydrophobicContact CG1-CD1 3.84Å; I234-F251 HydrophobicContact CG1-CE1 4.01Å; I234-C255 HydrophobicContact CB-CB 3.93Å; I234-C255 HydrophobicContact CD1-CB 4.04Å; I234-C255 HydrophobicContact CG2-CB 3.8Å; I234-H259 HydrophobicContact CD1-CB 4.05Å; I234-F267 HydrophobicContact CD1-CB 4.14Å; I234-F267 HydrophobicContact CD1-CG 4.32Å; I234-F267 HydrophobicContact CG1-CB 4.1Å; I234-F267 HydrophobicContact CG1-CD1 3.74Å; I234-F267 HydrophobicContact CG1-CD2 4.22Å; I234-F267 HydrophobicContact CG1-CE1 4.19Å; I234-F267 HydrophobicContact CG1-CG 3.76Å |
| 235 | C | 90 | Very high | 81.6 | Confident | 47 Ų | 47 | 84.1 Ų | 84.1 | 32% | 0.318 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -3.6 | -172.6 | 64.8 | 0 | 0 | 0 | 0 | 115.8 | C232 Q237 | C232-C235 VanDerWaalsContact CB-SG 3.6Å; C232-C235 PolarHBondContact O-N 2.98Å; C232-C235 VanDerWaalsContact O-N 3.07Å; C232-C235 VanDerWaalsContact SG-SG 3.7Å; C235-Q237 PolarHBondContact O-N 2.84Å |
| 236 | Q | 87.1 | Confident | 83.4 | Confident | 169 Ų | 169 | 82.5 Ų | 82.5 | 79% | 0.79 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 52.6 | 42.7 | 178 | -59.3 | 175.3 | -6.2 | 0 | 0 | 112.2 | C232 | C232-Q236 PolarHBondContact O-N 3.17Š|
| 237 | Q | 87.8 | Confident | 85.1 | Confident | 90 Ų | 90 | 76.2 Ų | 76.2 | 42% | 0.421 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -132.5 | 154.9 | 174.8 | -70.9 | -172.4 | 7.7 | 0 | 0 | 109.7 | D231 C232 C235 | D231-Q237 WeakPolarHBondContact CA-O 3.32Å; D231-Q237 VanDerWaalsContact OD1-C 3.32Å; C232-Q237 PolarHBondContact N-O 3.42Å; C235-Q237 PolarHBondContact O-N 2.84Å |
| 238 | P | 88.6 | Confident | 86.6 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 53% | 0.532 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -57.2 | 147.8 | 173 | 23.1 | -34.8 | 0 | 0 | 0 | 112 | T230 K240 | T230-P238 WeakPolarHBondContact O-CA 3.1Å; P238-K240 PolarHBondContact O-N 3.21Å; P238-K240 VanDerWaalsContact O-N 3.11Å |
| 239 | F | 87.5 | Confident | 87.9 | Confident | 47 Ų | 47 | 67.3 Ų | 67.3 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | trans | -63.6 | 110.6 | -169 | -72.4 | -88.7 | 0 | 0 | 0 | 113.6 | P229 T230 D231 C232 P242 | P229-F239 HydrophobicContact CB-CE2 4.18Å; P229-F239 HydrophobicContact CB-CZ 4.27Å; P229-F239 WeakPolarHBondContact O-CE2 3.44Å; T230-F239 WeakPolarHBondContact O-CD2 3.38Å; D231-F239 VanDerWaalsContact C-CZ 3.46Å; D231-F239 WeakPolarHBondContact O-CE2 3.22Å; D231-F239 WeakPolarHBondContact O-CZ 3.38Å; C232-F239 VanDerWaalsContact CA-CZ 3.42Å; C232-F239 HydrophobicContact CB-CD1 4.05Å; C232-F239 HydrophobicContact CB-CE1 3.71Å; C232-F239 HydrophobicContact CB-CZ 4.07Å; F239-P242 HydrophobicContact CB-CB 4.09Å; F239-P242 HydrophobicContact CD1-CB 4.34Å; F239-P242 HydrophobicContact CG-CB 4.46Å | ||
| 240 | K | 86.8 | Confident | 88.7 | Confident | 126 Ų | 126 | 67 Ų | 67 | 55% | 0.548 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -95.8 | 111.1 | 169.3 | -67.8 | 164.2 | -173.7 | 165.2 | 0 | 107.8 | P238 C252 E253 | P238-K240 PolarHBondContact O-N 3.21Å; P238-K240 VanDerWaalsContact O-N 3.11Å; K240-C252 PolarHBondContact N-SG 3.14Å; K240-C252 WeakPolarHBondContact O-CA 3.4Å; K240-C252 VanDerWaalsContact O-CB 3.29Å; K240-C252 WeakPolarHBondContact O-CB 3.37Å; K240-E253 PolarHBondContact O-N 3.42Å |
| 241 | N | 88.2 | Confident | 89.2 | Confident | 108 Ų | 108 | 61.9 Ų | 61.9 | 58% | 0.578 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 52.4 | 76.6 | -170.4 | -61.6 | 1.9 | 0 | 0 | 0 | 111.6 | V243 E253 | N241-V243 PolarHBondContact O-N 3.36Å; N241-E253 HydrophobicContact CB-CB 3.75Å; N241-E253 WeakPolarHBondContact CB-OE2 3.39Å; N241-E253 PolarHBondContact ND2-OE2 2.96Å; N241-E253 PolarHBondContact O-N 3.43Å |
| 242 | P | 90.9 | Very high | 89.4 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 129.5 | 178.9 | 22.1 | -31.8 | 0 | 0 | 0 | 112.2 | F239 F251 V280 | F239-P242 HydrophobicContact CB-CB 4.09Å; F239-P242 HydrophobicContact CD1-CB 4.34Å; F239-P242 HydrophobicContact CG-CB 4.46Å; P242-F251 CarbonylContact C-O 3.58Å; P242-F251 WeakPolarHBondContact CA-O 3.26Å; P242-V280 HydrophobicContact CB-CB 4.16Å; P242-V280 HydrophobicContact CB-CG2 4.17Å; P242-V280 HydrophobicContact CG-CB 4.11Å; P242-V280 PolarHBondContact O-N 3.21Å |
| 243 | V | 90.7 | Very high | 89.4 | Confident | 13 Ų | 13 | 63 Ų | 63 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.6 | 170.8 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | N241 Y250 F251 E253 A256 F277 T278 | N241-V243 PolarHBondContact O-N 3.36Å; V243-Y250 WeakPolarHBondContact O-CA 3.38Å; V243-F251 HydrophobicContact CG2-CB 4.16Å; V243-F251 WeakPolarHBondContact CG2-O 3.43Å; V243-F251 PolarHBondContact N-O 2.9Å; V243-F251 PolarHBondContact O-N 2.9Å; V243-E253 HydrophobicContact CG1-CB 4.23Å; V243-A256 HydrophobicContact CG2-CB 3.62Å; V243-F277 HydrophobicContact CB-CB 4.34Å; V243-F277 HydrophobicContact CG2-CB 4.44Å; V243-F277 HydrophobicContact CG2-CD1 4.38Å; V243-T278 CarbonylContact C-O 3.55Å; V243-T278 WeakPolarHBondContact CA-O 3.36Å |
| 244 | I | 90.8 | Very high | 89.5 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 140.6 | 171.3 | -79.4 | 168.9 | 0 | 0 | 0 | 109.3 | Y250 F277 T278 V280 | I244-Y250 HydrophobicContact CD1-CD1 4.3Å; I244-Y250 HydrophobicContact CD1-CE1 3.57Å; I244-Y250 HydrophobicContact CG1-CD1 3.7Å; I244-Y250 HydrophobicContact CG1-CE1 3.5Å; I244-Y250 VanDerWaalsContact CG1-CE1 3.5Å; I244-Y250 HydrophobicContact CG1-CG 4.35Å; I244-F277 WeakPolarHBondContact O-CA 3.33Å; I244-T278 PolarHBondContact N-O 3.06Å; I244-T278 PolarHBondContact O-N 3.3Å; I244-T278 PolarHBondContact O-OG1 3.19Å; I244-V280 HydrophobicContact CB-CG2 4.22Å; I244-V280 HydrophobicContact CD1-CG2 3.58Å; I244-V280 HydrophobicContact CG1-CG2 3.51Å |
| 245 | T | 90 | Very high | 89.6 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 161.9 | 165.6 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | C247 N248 H249 F251 T273 F277 | T245-C247 PolarHBondContact O-N 2.97Å; T245-C247 PolarHBondContact OG1-SG 3.2Å; T245-N248 PolarHBondContact O-N 3.47Å; T245-H249 PolarHBondContact N-O 3.19Å; T245-H249 VanDerWaalsContact N-O 3.08Å; T245-H249 PolarHBondContact OG1-N 3.25Å; T245-H249 PolarHBondContact OG1-O 3.12Å; T245-F251 HydrophobicContact CG2-CD2 3.91Å; T245-F251 HydrophobicContact CG2-CE2 3.68Å; T245-T273 HydrophobicContact CG2-CG2 3.87Å; T245-F277 HydrophobicContact CG2-CD1 3.62Å; T245-F277 HydrophobicContact CG2-CE1 3.58Å |
| 246 | K | 88.1 | Confident | 89.7 | Confident | 130 Ų | 130 | 59.5 Ų | 59.5 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 0.3 | 172.6 | -72.9 | -176.1 | 168.9 | 176.6 | 0 | 117 | L276 | K246-L276 HydrophobicContact CD-CB 4.29Å; K246-L276 VanDerWaalsContact CE-CD2 3.45Å; K246-L276 HydrophobicContact CG-CB 4.27Å |
| 247 | C | 88.6 | Confident | 89.9 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 23.9 | -179.3 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | T245 H249 C266 C269 K271 | T245-C247 PolarHBondContact O-N 2.97Å; T245-C247 PolarHBondContact OG1-SG 3.2Å; C247-H249 PolarHBondContact O-CE1 3.46Å; C247-H249 PolarHBondContact O-N 3.41Å; C247-H249 PolarHBondContact O-ND1 3.41Å; C247-H249 PolarHBondContact SG-ND1 3.25Å; C247-C266 VanDerWaalsContact SG-SG 3.62Å; C247-C269 PolarHBondContact SG-SG 3.39Å; C247-K271 HydrophobicContact CB-CD 4.07Å |
| 248 | N | 87.6 | Confident | 90.1 | Very high | 109 Ų | 109 | 57 Ų | 57 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 59.2 | 23.5 | 175.5 | -60 | 12.8 | 0 | 0 | 0 | 115.4 | T245 | T245-N248 PolarHBondContact O-N 3.47Š|
| 249 | H | 89.8 | Confident | 90.3 | Very high | 48 Ų | 48 | 55 Ų | 55 | 22% | 0.222 | 28% | 0.279 | C | S | . | . | trans | -94.1 | 129.5 | 171.5 | -57.9 | 91.1 | 0 | 0 | 0 | 110.6 | T245 C247 F251 V268 C269 | T245-H249 PolarHBondContact N-O 3.19Å; T245-H249 VanDerWaalsContact N-O 3.08Å; T245-H249 PolarHBondContact OG1-N 3.25Å; T245-H249 PolarHBondContact OG1-O 3.12Å; C247-H249 PolarHBondContact O-CE1 3.46Å; C247-H249 PolarHBondContact O-N 3.41Å; C247-H249 PolarHBondContact O-ND1 3.41Å; C247-H249 PolarHBondContact SG-ND1 3.25Å; H249-F251 HydrophobicContact CB-CE2 3.67Å; H249-F251 HydrophobicContact CB-CZ 3.84Å; H249-V268 HydrophobicContact CB-CB 4.49Å; H249-V268 HydrophobicContact CB-CG2 4.4Å; H249-V268 WeakPolarHBondContact CD2-CB 3.27Å; H249-V268 WeakPolarHBondContact CD2-CG1 3.33Å; H249-V268 WeakPolarHBondContact NE2-CG1 3.4Å; H249-C269 PolarHBondContact CE1-SG 3.03Å | ||
| 250 | Y | 90.6 | Very high | 90.4 | Very high | 61 Ų | 61 | 54 Ų | 54 | 24% | 0.239 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 139.6 | 179.1 | -62.8 | -97 | 0 | 0 | 0 | 111.4 | V243 I244 V280 | V243-Y250 WeakPolarHBondContact O-CA 3.38Å; I244-Y250 HydrophobicContact CD1-CD1 4.3Å; I244-Y250 HydrophobicContact CD1-CE1 3.57Å; I244-Y250 HydrophobicContact CG1-CD1 3.7Å; I244-Y250 HydrophobicContact CG1-CE1 3.5Å; I244-Y250 VanDerWaalsContact CG1-CE1 3.5Å; I244-Y250 HydrophobicContact CG1-CG 4.35Å; Y250-V280 HydrophobicContact CD1-CG2 4.21Å; Y250-V280 HydrophobicContact CE1-CG2 4.09Å |
| 251 | F | 91.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 159.3 | 173.2 | -57.1 | -78.6 | 0 | 0 | 0 | 110.9 | P233 I234 P242 V243 T245 H249 A256 F267 V268 | P233-F251 HydrophobicContact CG-CD1 3.94Å; P233-F251 HydrophobicContact CG-CE1 3.66Å; I234-F251 HydrophobicContact CD1-CD1 3.39Å; I234-F251 HydrophobicContact CD1-CE1 3.75Å; I234-F251 HydrophobicContact CD1-CG 4.21Å; I234-F251 HydrophobicContact CG1-CD1 3.84Å; I234-F251 HydrophobicContact CG1-CE1 4.01Å; P242-F251 CarbonylContact C-O 3.58Å; P242-F251 WeakPolarHBondContact CA-O 3.26Å; V243-F251 HydrophobicContact CG2-CB 4.16Å; V243-F251 WeakPolarHBondContact CG2-O 3.43Å; V243-F251 PolarHBondContact N-O 2.9Å; V243-F251 PolarHBondContact O-N 2.9Å; T245-F251 HydrophobicContact CG2-CD2 3.91Å; T245-F251 HydrophobicContact CG2-CE2 3.68Å; H249-F251 HydrophobicContact CB-CE2 3.67Å; H249-F251 HydrophobicContact CB-CZ 3.84Å; F251-A256 HydrophobicContact CB-CB 4.12Å; F251-F267 HydrophobicContact CE1-CB 3.81Å; F251-F267 HydrophobicContact CE1-CD1 4.4Å; F251-F267 HydrophobicContact CZ-CB 4.07Å; F251-V268 HydrophobicContact CE1-CG2 4.15Å; F251-V268 HydrophobicContact CZ-CG2 4.02Å |
| 252 | C | 92.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 140.7 | 160.8 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | C232 K240 A254 C255 A256 | C232-C252 WeakPolarHBondContact CB-SG 3.27Å; C232-C252 PolarHBondContact SG-N 3.16Å; C232-C252 VanDerWaalsContact SG-N 3.38Å; K240-C252 PolarHBondContact N-SG 3.14Å; K240-C252 WeakPolarHBondContact O-CA 3.4Å; K240-C252 VanDerWaalsContact O-CB 3.29Å; K240-C252 WeakPolarHBondContact O-CB 3.37Å; C252-A254 VanDerWaalsContact C-N 3.34Å; C252-A254 PolarHBondContact O-N 2.9Å; C252-C255 HydrophobicContact CB-CB 4.13Å; C252-C255 WeakPolarHBondContact O-CA 3.33Å; C252-C255 WeakPolarHBondContact O-CB 3.03Å; C252-C255 PolarHBondContact O-N 2.97Å; C252-A256 PolarHBondContact O-N 2.75Å |
| 253 | E | 91.1 | Very high | 90.6 | Very high | 87 Ų | 87 | 63.3 Ų | 63.3 | 41% | 0.407 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -46.1 | -53.3 | 177.3 | -178.7 | -171.2 | 174.8 | 0 | 0 | 112.6 | K240 N241 V243 C255 A256 L257 | K240-E253 PolarHBondContact O-N 3.42Å; N241-E253 HydrophobicContact CB-CB 3.75Å; N241-E253 WeakPolarHBondContact CB-OE2 3.39Å; N241-E253 PolarHBondContact ND2-OE2 2.96Å; N241-E253 PolarHBondContact O-N 3.43Å; V243-E253 HydrophobicContact CG1-CB 4.23Å; E253-C255 VanDerWaalsContact C-N 3.28Å; E253-C255 PolarHBondContact O-N 2.88Å; E253-A256 PolarHBondContact O-N 3.25Å; E253-L257 HydrophobicContact CG-CD1 4.09Å; E253-L257 WeakPolarHBondContact O-CG 3.29Å; E253-L257 PolarHBondContact O-N 2.74Å |
| 254 | A | 92.4 | Very high | 90.5 | Very high | 59 Ų | 59 | 68.4 Ų | 68.4 | 49% | 0.488 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.9 | -35.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C252 Q258 | C252-A254 VanDerWaalsContact C-N 3.34Å; C252-A254 PolarHBondContact O-N 2.9Å; A254-Q258 WeakPolarHBondContact O-CB 3.29Å; A254-Q258 VanDerWaalsContact O-CG 3.23Å; A254-Q258 WeakPolarHBondContact O-CG 3.28Å; A254-Q258 PolarHBondContact O-N 2.73Å |
| 255 | C | 92.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 71 Ų | 71 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.6 | -41.1 | 178.6 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | I234 C252 E253 L257 Q258 H259 | I234-C255 HydrophobicContact CB-CB 3.93Å; I234-C255 HydrophobicContact CD1-CB 4.04Å; I234-C255 HydrophobicContact CG2-CB 3.8Å; C252-C255 HydrophobicContact CB-CB 4.13Å; C252-C255 WeakPolarHBondContact O-CA 3.33Å; C252-C255 WeakPolarHBondContact O-CB 3.03Å; C252-C255 PolarHBondContact O-N 2.97Å; E253-C255 VanDerWaalsContact C-N 3.28Å; E253-C255 PolarHBondContact O-N 2.88Å; C255-L257 VanDerWaalsContact C-N 3.35Å; C255-Q258 PolarHBondContact O-N 2.89Å; C255-H259 WeakPolarHBondContact O-CB 3.24Å; C255-H259 PolarHBondContact O-N 3.02Å |
| 256 | A | 91.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 3% | 0.033 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V243 F251 C252 E253 H259 S260 F277 | V243-A256 HydrophobicContact CG2-CB 3.62Å; F251-A256 HydrophobicContact CB-CB 4.12Å; C252-A256 PolarHBondContact O-N 2.75Å; E253-A256 PolarHBondContact O-N 3.25Å; A256-H259 PolarHBondContact O-N 2.58Å; A256-S260 WeakPolarHBondContact O-CB 3.31Å; A256-S260 PolarHBondContact O-N 3.04Å; A256-S260 PolarHBondContact O-OG 3.16Å; A256-S260 VanDerWaalsContact O-OG 3.1Å; A256-F277 HydrophobicContact CB-CD1 3.85Å; A256-F277 HydrophobicContact CB-CE1 3.82Å; A256-F277 HydrophobicContact CB-CG 4.49Å; A256-F277 HydrophobicContact CB-CZ 4.44Å |
| 257 | L | 91.1 | Very high | 90.7 | Very high | 82 Ų | 82 | 69.8 Ų | 69.8 | 43% | 0.429 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.3 | -33.5 | 175.9 | -68.2 | 174.1 | 0 | 0 | 0 | 113.2 | E253 C255 S260 R261 | E253-L257 HydrophobicContact CG-CD1 4.09Å; E253-L257 WeakPolarHBondContact O-CG 3.29Å; E253-L257 PolarHBondContact O-N 2.74Å; C255-L257 VanDerWaalsContact C-N 3.35Å; L257-S260 PolarHBondContact O-OG 3.1Å; L257-R261 WeakPolarHBondContact O-CD 3.5Å; L257-R261 VanDerWaalsContact O-CG 3.23Å; L257-R261 WeakPolarHBondContact O-CG 3.24Å |
| 258 | Q | 92 | Very high | 90.8 | Very high | 125 Ų | 125 | 72.1 Ų | 72.1 | 58% | 0.584 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -72.2 | -35.8 | 172.9 | -76.9 | 176.2 | 12.2 | 0 | 0 | 112.6 | A254 C255 | A254-Q258 WeakPolarHBondContact O-CB 3.29Å; A254-Q258 VanDerWaalsContact O-CG 3.23Å; A254-Q258 WeakPolarHBondContact O-CG 3.28Å; A254-Q258 PolarHBondContact O-N 2.73Å; C255-Q258 PolarHBondContact O-N 2.89Å |
| 259 | H | 91.9 | Very high | 90.9 | Very high | 39 Ų | 39 | 68.9 Ų | 68.9 | 18% | 0.181 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.6 | -45.5 | 178 | -170.9 | 80.9 | 0 | 0 | 0 | 111.7 | I234 C255 A256 R261 K262 T263 K265 F267 | I234-H259 HydrophobicContact CD1-CB 4.05Å; C255-H259 WeakPolarHBondContact O-CB 3.24Å; C255-H259 PolarHBondContact O-N 3.02Å; A256-H259 PolarHBondContact O-N 2.58Å; H259-R261 PolarHBondContact O-N 3.5Å; H259-K262 WeakPolarHBondContact O-CA 3.47Å; H259-K262 WeakPolarHBondContact O-CB 3.32Å; H259-K262 PolarHBondContact O-N 3.16Å; H259-T263 PolarHBondContact CE1-OG1 2.65Å; H259-T263 PolarHBondContact NE2-OG1 3.36Å; H259-T263 PolarHBondContact O-N 3.24Å; H259-K265 PolarHBondContact CD2-O 3.23Å; H259-K265 VanDerWaalsContact CD2-O 3.25Å; H259-K265 PolarHBondContact NE2-O 2.99Å; H259-F267 AromaticContact CE1-CD2 3.77Å; H259-F267 AromaticContact ND1-CD2 3.9Å |
| 260 | S | 90.2 | Very high | 90.7 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.3 | -30 | -179.3 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | A256 L257 K262 T263 | A256-S260 WeakPolarHBondContact O-CB 3.31Å; A256-S260 PolarHBondContact O-N 3.04Å; A256-S260 PolarHBondContact O-OG 3.16Å; A256-S260 VanDerWaalsContact O-OG 3.1Å; L257-S260 PolarHBondContact O-OG 3.1Å; S260-K262 VanDerWaalsContact C-N 3.28Å; S260-K262 PolarHBondContact O-N 3.12Å; S260-T263 WeakPolarHBondContact CA-O 3.5Å |
| 261 | R | 89.8 | Confident | 90.7 | Very high | 214 Ų | 214 | 76 Ų | 76 | 81% | 0.808 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.2 | 170.8 | -73.8 | 172.3 | -175.1 | -164.6 | 2.2 | 114.3 | L257 H259 | L257-R261 WeakPolarHBondContact O-CD 3.5Å; L257-R261 VanDerWaalsContact O-CG 3.23Å; L257-R261 WeakPolarHBondContact O-CG 3.24Å; H259-R261 PolarHBondContact O-N 3.5Å |
| 262 | K | 89.5 | Confident | 90.5 | Very high | 184 Ų | 184 | 77.7 Ų | 77.7 | 80% | 0.8 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -44.2 | 176.3 | -64.7 | -178.9 | 180 | -179 | 0 | 111.3 | H259 S260 | H259-K262 WeakPolarHBondContact O-CA 3.47Å; H259-K262 WeakPolarHBondContact O-CB 3.32Å; H259-K262 PolarHBondContact O-N 3.16Å; S260-K262 VanDerWaalsContact C-N 3.28Å; S260-K262 PolarHBondContact O-N 3.12Å |
| 263 | T | 90.5 | Very high | 90.1 | Very high | 59 Ų | 59 | 77.5 Ų | 77.5 | 36% | 0.362 | 39% | 0.389 | S | S | . | . | trans | -150.4 | 126.4 | -172.6 | 37.8 | 0 | 0 | 0 | 0 | 110.8 | H259 S260 K265 | H259-T263 PolarHBondContact CE1-OG1 2.65Å; H259-T263 PolarHBondContact NE2-OG1 3.36Å; H259-T263 PolarHBondContact O-N 3.24Å; S260-T263 WeakPolarHBondContact CA-O 3.5Å; T263-K265 PolarHBondContact O-N 3.13Å | ||
| 264 | L | 88.2 | Confident | 89.7 | Confident | 119 Ų | 119 | 80 Ų | 80 | 62% | 0.623 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -74.9 | 23.2 | 174.4 | -61.4 | 175.1 | 0 | 0 | 0 | 113.6 | G272 T273 | L264-G272 CarbonylContact O-C 3.56Å; L264-G272 WeakPolarHBondContact O-CA 3.36Å; L264-T273 PolarHBondContact O-N 2.95Å; L264-T273 PolarHBondContact O-OG1 3.11Å |
| 265 | K | 90.7 | Very high | 89.2 | Confident | 95 Ų | 95 | 79.4 Ų | 79.4 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -99.9 | 162.5 | 177.4 | -71.3 | -172.6 | 164.7 | -175.6 | 0 | 110.3 | H259 T263 E270 K271 | H259-K265 PolarHBondContact CD2-O 3.23Å; H259-K265 VanDerWaalsContact CD2-O 3.25Å; H259-K265 PolarHBondContact NE2-O 2.99Å; T263-K265 PolarHBondContact O-N 3.13Å; K265-E270 WeakPolarHBondContact CB-O 3.23Å; K265-E270 HydrophobicContact CD-CB 4.14Å; K265-E270 HydrophobicContact CD-CG 4.4Å; K265-E270 WeakPolarHBondContact CD-O 3.43Å; K265-E270 VanDerWaalsContact CG-O 3.24Å; K265-E270 WeakPolarHBondContact CG-O 3.43Å; K265-E270 IonicContact NZ-OE2 3.15Å; K265-E270 PolarHBondContact NZ-OE2 2.88Å; K265-K271 CarbonylContact C-O 3.56Å |
| 266 | C | 92 | Very high | 88.9 | Confident | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.02 | 42% | 0.422 | C | S | . | . | trans | -82.1 | 134.9 | 166.4 | -178 | 0 | 0 | 0 | 0 | 109.9 | C247 V268 E270 K271 T273 | C247-C266 VanDerWaalsContact SG-SG 3.62Å; C266-V268 VanDerWaalsContact C-N 3.29Å; C266-V268 PolarHBondContact O-N 3.24Å; C266-E270 WeakPolarHBondContact O-CA 3.35Å; C266-E270 PolarHBondContact O-N 2.74Å; C266-K271 WeakPolarHBondContact CB-O 3.25Å; C266-K271 PolarHBondContact N-O 2.78Å; C266-T273 HydrophobicContact CB-CG2 3.96Å | ||
| 267 | F | 90.2 | Very high | 88.8 | Confident | 101 Ų | 101 | 85.9 Ų | 85.9 | 44% | 0.443 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -29.3 | -177.8 | 180 | -101.6 | 0 | 0 | 0 | 113.9 | P233 I234 F251 H259 | P233-F267 HydrophobicContact CB-CD1 4.26Å; P233-F267 HydrophobicContact CB-CE1 4.24Å; P233-F267 HydrophobicContact CG-CD1 4.46Å; P233-F267 VanDerWaalsContact O-CE1 3.26Å; P233-F267 WeakPolarHBondContact O-CE1 3.36Å; I234-F267 HydrophobicContact CD1-CB 4.14Å; I234-F267 HydrophobicContact CD1-CG 4.32Å; I234-F267 HydrophobicContact CG1-CB 4.1Å; I234-F267 HydrophobicContact CG1-CD1 3.74Å; I234-F267 HydrophobicContact CG1-CD2 4.22Å; I234-F267 HydrophobicContact CG1-CE1 4.19Å; I234-F267 HydrophobicContact CG1-CG 3.76Å; F251-F267 HydrophobicContact CE1-CB 3.81Å; F251-F267 HydrophobicContact CE1-CD1 4.4Å; F251-F267 HydrophobicContact CZ-CB 4.07Å; H259-F267 AromaticContact CE1-CD2 3.77Å; H259-F267 AromaticContact ND1-CD2 3.9Å |
| 268 | V | 90.7 | Very high | 88.7 | Confident | 75 Ų | 75 | 85.7 Ų | 85.7 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -35.1 | -174.8 | -177.4 | 0 | 0 | 0 | 0 | 113.2 | P233 H249 F251 C266 | P233-V268 HydrophobicContact CB-CG2 4.3Å; P233-V268 HydrophobicContact CG-CG2 3.87Å; H249-V268 HydrophobicContact CB-CB 4.49Å; H249-V268 HydrophobicContact CB-CG2 4.4Å; H249-V268 WeakPolarHBondContact CD2-CB 3.27Å; H249-V268 WeakPolarHBondContact CD2-CG1 3.33Å; H249-V268 WeakPolarHBondContact NE2-CG1 3.4Å; F251-V268 HydrophobicContact CE1-CG2 4.15Å; F251-V268 HydrophobicContact CZ-CG2 4.02Å; C266-V268 VanDerWaalsContact C-N 3.29Å; C266-V268 PolarHBondContact O-N 3.24Å |
| 269 | C | 89.5 | Confident | 88.6 | Confident | 41 Ų | 41 | 85.8 Ų | 85.8 | 28% | 0.277 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 9.3 | -172.9 | 69.3 | 0 | 0 | 0 | 0 | 115 | C247 H249 K271 | C247-C269 PolarHBondContact SG-SG 3.39Å; H249-C269 PolarHBondContact CE1-SG 3.03Å; C269-K271 PolarHBondContact O-N 2.8Å |
| 270 | E | 87.5 | Confident | 88.1 | Confident | 123 Ų | 123 | 86.2 Ų | 86.2 | 58% | 0.575 | 45% | 0.445 | S | S | * | . | trans | 56.2 | -6.4 | -179.8 | -68.4 | -155.7 | -155.1 | 0 | 0 | 118.1 | K265 C266 G272 | K265-E270 WeakPolarHBondContact CB-O 3.23Å; K265-E270 HydrophobicContact CD-CB 4.14Å; K265-E270 HydrophobicContact CD-CG 4.4Å; K265-E270 WeakPolarHBondContact CD-O 3.43Å; K265-E270 VanDerWaalsContact CG-O 3.24Å; K265-E270 WeakPolarHBondContact CG-O 3.43Å; K265-E270 IonicContact NZ-OE2 3.15Å; K265-E270 PolarHBondContact NZ-OE2 2.88Å; C266-E270 WeakPolarHBondContact O-CA 3.35Å; C266-E270 PolarHBondContact O-N 2.74Å; E270-G272 PolarHBondContact O-N 3Å | ||
| 271 | K | 88.8 | Confident | 87.1 | Confident | 137 Ų | 137 | 93.9 Ų | 93.9 | 60% | 0.596 | 48% | 0.475 | S | S | * | . | trans | -56 | 135.8 | 175.6 | -64.7 | 176.2 | -174.5 | 174.6 | 0 | 110.4 | C247 K265 C266 C269 T273 | C247-K271 HydrophobicContact CB-CD 4.07Å; K265-K271 CarbonylContact C-O 3.56Å; C266-K271 WeakPolarHBondContact CB-O 3.25Å; C266-K271 PolarHBondContact N-O 2.78Å; C269-K271 PolarHBondContact O-N 2.8Å; K271-T273 PolarHBondContact O-N 2.7Å | ||
| 272 | G | 88.8 | Confident | 85.3 | Confident | 38 Ų | 38 | 92 Ų | 92 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 121.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L264 E270 M274 | L264-G272 CarbonylContact O-C 3.56Å; L264-G272 WeakPolarHBondContact O-CA 3.36Å; E270-G272 PolarHBondContact O-N 3Å; G272-M274 PolarHBondContact O-N 3.15Å |
| 273 | T | 83.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 87.5 Ų | 87.5 | 2% | 0.018 | 48% | 0.479 | C | S | . | . | trans | -74.9 | -16.3 | -176.8 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | T245 L264 C266 K271 G275 L276 F277 | T245-T273 HydrophobicContact CG2-CG2 3.87Å; L264-T273 PolarHBondContact O-N 2.95Å; L264-T273 PolarHBondContact O-OG1 3.11Å; C266-T273 HydrophobicContact CB-CG2 3.96Å; K271-T273 PolarHBondContact O-N 2.7Å; T273-G275 PolarHBondContact O-N 3Å; T273-L276 PolarHBondContact O-N 2.92Å; T273-L276 VanDerWaalsContact O-N 3.11Å; T273-F277 HydrophobicContact CG2-CE1 4.23Å; T273-F277 HydrophobicContact CG2-CZ 4.26Å | ||
| 274 | M | 82.8 | Confident | 84.9 | Confident | 140 Ų | 140 | 88.9 Ų | 88.9 | 69% | 0.69 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 28.9 | -177.4 | -54.5 | -60.8 | 159 | 0 | 0 | 113.1 | G272 L276 | G272-M274 PolarHBondContact O-N 3.15Å; M274-L276 PolarHBondContact O-N 2.95Å; M274-L276 VanDerWaalsContact O-N 3.14Å |
| 275 | G | 81.7 | Confident | 84.7 | Confident | 46 Ų | 46 | 87.3 Ų | 87.3 | 47% | 0.474 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 0.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T273 | T273-G275 PolarHBondContact O-N 3Š|
| 276 | L | 86.5 | Confident | 84.3 | Confident | 96 Ų | 96 | 86.8 Ų | 86.8 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | trans | -89.7 | 113 | -179 | -108.2 | 73.6 | 0 | 0 | 0 | 111.3 | K246 T273 M274 | K246-L276 HydrophobicContact CD-CB 4.29Å; K246-L276 VanDerWaalsContact CE-CD2 3.45Å; K246-L276 HydrophobicContact CG-CB 4.27Å; T273-L276 PolarHBondContact O-N 2.92Å; T273-L276 VanDerWaalsContact O-N 3.11Å; M274-L276 PolarHBondContact O-N 2.95Å; M274-L276 VanDerWaalsContact O-N 3.14Å | ||
| 277 | F | 89 | Confident | 83.8 | Confident | 56 Ų | 56 | 92.1 Ų | 92.1 | 25% | 0.246 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.8 | 169.6 | -57.3 | -87.8 | 0 | 0 | 0 | 107.3 | V243 I244 T245 A256 T273 | V243-F277 HydrophobicContact CB-CB 4.34Å; V243-F277 HydrophobicContact CG2-CB 4.44Å; V243-F277 HydrophobicContact CG2-CD1 4.38Å; I244-F277 WeakPolarHBondContact O-CA 3.33Å; T245-F277 HydrophobicContact CG2-CD1 3.62Å; T245-F277 HydrophobicContact CG2-CE1 3.58Å; A256-F277 HydrophobicContact CB-CD1 3.85Å; A256-F277 HydrophobicContact CB-CE1 3.82Å; A256-F277 HydrophobicContact CB-CG 4.49Å; A256-F277 HydrophobicContact CB-CZ 4.44Å; T273-F277 HydrophobicContact CG2-CE1 4.23Å; T273-F277 HydrophobicContact CG2-CZ 4.26Å |
| 278 | T | 89.8 | Confident | 83.4 | Confident | 78 Ų | 78 | 91.5 Ų | 91.5 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.5 | 177.4 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | V243 I244 V280 | V243-T278 CarbonylContact C-O 3.55Å; V243-T278 WeakPolarHBondContact CA-O 3.36Å; I244-T278 PolarHBondContact N-O 3.06Å; I244-T278 PolarHBondContact O-N 3.3Å; I244-T278 PolarHBondContact O-OG1 3.19Å; T278-V280 PolarHBondContact O-N 2.8Å |
| 279 | N | 88.7 | Confident | 82.9 | Confident | 127 Ų | 127 | 92.6 Ų | 92.6 | 68% | 0.679 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 129.8 | 173.7 | 60 | -47 | 0 | 0 | 0 | 110.5 | ||
| 280 | V | 81.4 | Confident | 82.4 | Confident | 49 Ų | 49 | 96.6 Ų | 96.6 | 30% | 0.297 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 135.1 | 166.6 | -164.6 | 0 | 0 | 0 | 0 | 106.9 | P242 I244 Y250 T278 S282 | P242-V280 HydrophobicContact CB-CB 4.16Å; P242-V280 HydrophobicContact CB-CG2 4.17Å; P242-V280 HydrophobicContact CG-CB 4.11Å; P242-V280 PolarHBondContact O-N 3.21Å; I244-V280 HydrophobicContact CB-CG2 4.22Å; I244-V280 HydrophobicContact CD1-CG2 3.58Å; I244-V280 HydrophobicContact CG1-CG2 3.51Å; Y250-V280 HydrophobicContact CD1-CG2 4.21Å; Y250-V280 HydrophobicContact CE1-CG2 4.09Å; T278-V280 PolarHBondContact O-N 2.8Å; V280-S282 PolarHBondContact O-N 2.92Å |
| 281 | K | 69.1 | Low | 81.9 | Confident | 188 Ų | 188 | 94.4 Ų | 94.4 | 82% | 0.817 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 118.6 | 166.3 | -66.1 | -179.4 | -177.9 | 177.7 | 0 | 107.4 | ||
| 282 | S | 53.4 | Low | 81.3 | Confident | 175 Ų | 175 | 90.5 Ų | 90.5 | 100% | 1.224 | 53% | 0.529 | S | S | * | . | trans | -63.3 | 0 | 160.8 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | V280 | V280-S282 PolarHBondContact O-N 2.92Š|
Retrieved 282 of 282 residues in 141.2 ms
(Link to these results)