| 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 | 37.2 | Very low | 38 | Very low | 248 Ų | 248 | 157.9 Ų | 157.9 | 100% | 1.222 | 82% | 0.821 | S | S | * | * | 0 | 136 | 0 | -80.8 | 173.3 | 174.6 | 0 | 0 | 108 | |||||
| 2 | A | 39.8 | Very low | 37.7 | Very low | 90 Ų | 90 | 163.2 Ų | 163.2 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | trans | -52.9 | 163 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | I | 39.3 | Very low | 37.9 | Very low | 150 Ų | 150 | 160.1 Ų | 160.1 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | -168.6 | 134 | 78.8 | -81.6 | 156.4 | 0 | 0 | 0 | 108.8 | |||||
| 4 | A | 45 | Very low | 37.6 | Very low | 91 Ų | 91 | 154 Ų | 154 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -71.3 | 147.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | Q | 45.3 | Very low | 37.5 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -148.4 | 119 | 151.4 | -113.5 | 165.3 | 2.3 | 0 | 0 | 112.4 | ||||
| 6 | R | 42.9 | Very low | 37.5 | Very low | 210 Ų | 210 | 152.5 Ų | 152.5 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | trans | -89.1 | 140.4 | 169.1 | -175.5 | -173 | -158.2 | -165.8 | 5.6 | 107 | ||||
| 7 | C | 36.6 | Very low | 37.5 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | 180 | 111.6 | 146.2 | -97.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 8 | H | 34.2 | Very low | 37.5 | Very low | 144 Ų | 144 | 152.9 Ų | 152.9 | 67% | 0.667 | 83% | 0.825 | S | S | * | * | 68.2 | 104.1 | 83.5 | -81.1 | -77 | 0 | 0 | 0 | 113.9 | |||||
| 9 | Y | 34.6 | Very low | 37.4 | Very low | 241 Ų | 241 | 156.3 Ų | 156.3 | 95% | 0.945 | 83% | 0.825 | S | S | * | * | trans | -133.9 | 129.9 | 144 | -102.1 | -86.4 | 0 | 0 | 0 | 110.6 | ||||
| 10 | S | 34.9 | Very low | 37.7 | Very low | 99 Ų | 99 | 155 Ų | 155 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | trans | -68.1 | 137.6 | 179.9 | 162.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 11 | M | 28.1 | Very low | 37.9 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | 51.6 | 135.9 | 98.2 | -103.6 | 169.5 | 118.4 | 0 | 0 | 113 | |||||
| 12 | R | 34.3 | Very low | 38.4 | Very low | 221 Ų | 221 | 147.9 Ų | 147.9 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | cis | 177.6 | 141.3 | 16.9 | -170 | -176.5 | -167.9 | -161.5 | 0.7 | 107.7 | ||||
| 13 | S | 40.1 | Very low | 38.8 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 179.9 | 135.2 | 137.4 | 61.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 14 | G | 33.7 | Very low | 39 | Very low | 75 Ų | 75 | 147.1 Ų | 147.1 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | cis | 140.2 | 97.3 | 13.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 15 | A | 36.6 | Very low | 39 | Very low | 104 Ų | 104 | 150 Ų | 150 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -168 | 109 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 16 | E | 37.8 | Very low | 38.9 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -66.7 | 148.3 | 168.6 | -55.3 | -169 | 151.4 | 0 | 0 | 110.3 | ||||
| 17 | T | 37.4 | Very low | 38.7 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | -177.8 | 115.7 | 120.5 | 23.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 18 | H | 37.7 | Very low | 38.6 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | 64.3 | 110.6 | 136.2 | -142.7 | -108.5 | 0 | 0 | 0 | 120.9 | ||||
| 19 | W | 34.8 | Very low | 39.2 | Very low | 218 Ų | 218 | 147.8 Ų | 147.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -63 | 133 | 164.1 | -79.2 | 82.8 | 0 | 0 | 0 | 112.5 | L21 | W19-L21 HydrophobicContact CZ3-CD1 4.35Š| ||
| 20 | T | 44.7 | Very low | 39.7 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -162.8 | 116 | 135.8 | 41.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 21 | L | 40.7 | Very low | 40.1 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -80.4 | 167.3 | 160.6 | -69.6 | 161.5 | 0 | 0 | 0 | 108.6 | W19 | W19-L21 HydrophobicContact CZ3-CD1 4.35Š| ||
| 22 | P | 47.6 | Very low | 40.5 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | cis | -127.1 | 167.1 | -44.9 | 33.5 | -16.7 | 0 | 0 | 0 | 111.4 | V24 | P22-V24 PolarHBondContact O-N 3.3Š| ||
| 23 | A | 49.5 | Very low | 40.9 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -66.1 | 109.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 24 | V | 43.8 | Very low | 41 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | -154.6 | 140.9 | 158 | -162 | 0 | 0 | 0 | 0 | 108.7 | P22 | P22-V24 PolarHBondContact O-N 3.3Š| ||
| 25 | I | 43.5 | Very low | 41.3 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 72.4 | 121.4 | 167.8 | -23.9 | 175.5 | 0 | 0 | 0 | 113.3 | ||||
| 26 | V | 43.3 | Very low | 41.3 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | -171.9 | 138 | 55.8 | 172.9 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 27 | L | 38.3 | Very low | 41.3 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -156.6 | 78.1 | 148.7 | -103.1 | 167.5 | 0 | 0 | 0 | 110 | ||||
| 28 | W | 35 | Very low | 41.2 | Very low | 226 Ų | 226 | 141.3 Ų | 141.3 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -46.5 | 131.1 | 134.5 | -116.7 | -3.9 | 0 | 0 | 0 | 107.4 | ||||
| 29 | T | 47.9 | Very low | 41 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | cis | -172.7 | 160.6 | 37.9 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 30 | S | 44.7 | Very low | 41.2 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 89.7 | 137.1 | 142.8 | 86.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 31 | L | 42 | Very low | 40.9 | Very low | 148 Ų | 148 | 134 Ų | 134 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 81.7 | 101.6 | 163.3 | -58.6 | 164.9 | 0 | 0 | 0 | 116.1 | ||||
| 32 | W | 38.2 | Very low | 40.7 | Very low | 240 Ų | 240 | 133.1 Ų | 133.1 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | -169.8 | 97.3 | 109.5 | -88.9 | 14.5 | 0 | 0 | 0 | 109.4 | |||||
| 33 | A | 41.4 | Very low | 40.7 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -68.1 | 121.9 | 135.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 34 | I | 42.7 | Very low | 40.5 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | trans | -174.9 | 135.6 | 140.6 | -85.3 | 146.7 | 0 | 0 | 0 | 106.8 | ||||
| 35 | A | 40.2 | Very low | 40.6 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | -58.1 | 145.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 36 | S | 36 | Very low | 40.9 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | -133.2 | 100.2 | 136.4 | 58.8 | 0 | 0 | 0 | 0 | 108.5 | F38 | S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 2.61Å; S36-F38 WeakPolarHBondContact OG-CE2 3.43Å | ||
| 37 | S | 37.7 | Very low | 41.6 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | -67.6 | 90.5 | 170.1 | -47.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 38 | F | 35 | Very low | 42.4 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 74% | 0.737 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 116 | 162.7 | -71.3 | -75.1 | 0 | 0 | 0 | 108.1 | S36 T40 | S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 2.61Å; S36-F38 WeakPolarHBondContact OG-CE2 3.43Å; F38-T40 PolarHBondContact O-N 2.78Å; F38-T40 VanDerWaalsContact O-N 3.12Å |
| 39 | P | 33.6 | Very low | 43.3 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 116.2 | 177.1 | 25.2 | -29.4 | 0 | 0 | 0 | 108.8 | ||
| 40 | T | 40.3 | Very low | 43.6 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 133.4 | 165.6 | 44.6 | 0 | 0 | 0 | 0 | 108.6 | F38 N42 | F38-T40 PolarHBondContact O-N 2.78Å; F38-T40 VanDerWaalsContact O-N 3.12Å; T40-N42 PolarHBondContact O-N 3.42Å; T40-N42 VanDerWaalsContact O-N 3.11Å |
| 41 | P | 36.8 | Very low | 43.9 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 117 | 174.3 | 26.4 | -29.5 | 0 | 0 | 0 | 108 | R43 | P41-R43 PolarHBondContact O-N 2.76Š|
| 42 | N | 37.5 | Very low | 44.4 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | trans | -64.1 | 90.7 | -176.9 | -167.2 | 8.2 | 0 | 0 | 0 | 110.9 | T40 T44 | T40-N42 PolarHBondContact O-N 3.42Å; T40-N42 VanDerWaalsContact O-N 3.11Å; N42-T44 VanDerWaalsContact C-N 3.32Å; N42-T44 PolarHBondContact O-N 3.09Å; N42-T44 WeakPolarHBondContact OD1-CG2 3.3Å; N42-T44 PolarHBondContact OD1-OG1 3.15Å | ||
| 43 | R | 47.7 | Very low | 45 | Very low | 224 Ų | 224 | 117.9 Ų | 117.9 | 85% | 0.845 | 65% | 0.647 | S | S | * | * | trans | -87.7 | 63.4 | 175.5 | -170.8 | -173.9 | 177.9 | 164.3 | -0.4 | 110.3 | P41 | P41-R43 PolarHBondContact O-N 2.76Š| ||
| 44 | T | 44.5 | Very low | 45.5 | Very low | 77 Ų | 77 | 117.8 Ų | 117.8 | 47% | 0.472 | 63% | 0.63 | S | S | . | * | trans | -122.7 | -7.6 | 179.1 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | N42 | N42-T44 VanDerWaalsContact C-N 3.32Å; N42-T44 PolarHBondContact O-N 3.09Å; N42-T44 WeakPolarHBondContact OD1-CG2 3.3Å; N42-T44 PolarHBondContact OD1-OG1 3.15Å | ||
| 45 | N | 45.9 | Very low | 46 | Very low | 129 Ų | 129 | 114.7 Ų | 114.7 | 69% | 0.69 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -93 | -15.1 | -177.8 | -66.4 | -25.8 | 0 | 0 | 0 | 115.1 | ||
| 46 | A | 50.8 | Low | 46.7 | Very low | 61 Ų | 61 | 114.5 Ų | 114.5 | 50% | 0.504 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -78.5 | -30.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E50 | A46-E50 VanDerWaalsContact O-CB 3.31Å; A46-E50 WeakPolarHBondContact O-CB 3.48Å; A46-E50 PolarHBondContact O-N 3.16Å |
| 47 | T | 57.5 | Low | 47.4 | Very low | 68 Ų | 68 | 112.9 Ų | 112.9 | 42% | 0.417 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -80.4 | -31 | -171.1 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | R51 | T47-R51 WeakPolarHBondContact O-CB 3.38Å; T47-R51 VanDerWaalsContact O-CG 3.24Å; T47-R51 WeakPolarHBondContact O-CG 3.39Å; T47-R51 PolarHBondContact O-N 3.46Å |
| 48 | L | 54.7 | Low | 47.7 | Very low | 132 Ų | 132 | 112.3 Ų | 112.3 | 69% | 0.691 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.7 | -46 | 179.6 | -171.3 | 93.3 | 0 | 0 | 0 | 111.4 | R51 K52 | L48-R51 PolarHBondContact O-N 2.82Å; L48-K52 VanDerWaalsContact O-CB 3.27Å; L48-K52 WeakPolarHBondContact O-CB 3.15Å; L48-K52 PolarHBondContact O-N 3.4Å |
| 49 | L | 53.9 | Low | 48 | Very low | 90 Ų | 90 | 113.9 Ų | 113.9 | 47% | 0.471 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.3 | -46.7 | 176.1 | -79.9 | 168.3 | 0 | 0 | 0 | 109.9 | R51 K52 W53 | L49-R51 PolarHBondContact O-N 3.48Å; L49-K52 CarbonylContact O-C 3.58Å; L49-K52 WeakPolarHBondContact O-CA 3.31Å; L49-K52 WeakPolarHBondContact O-CB 3.29Å; L49-K52 PolarHBondContact O-N 3.06Å; L49-K52 VanDerWaalsContact O-N 3.07Å; L49-W53 VanDerWaalsContact C-CD1 3.49Å; L49-W53 PolarHBondContact O-N 3.03Å |
| 50 | E | 55.2 | Low | 48.6 | Very low | 95 Ų | 95 | 113.4 Ų | 113.4 | 44% | 0.444 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.3 | -44.7 | 179.3 | -159.4 | 156.6 | -144.1 | 0 | 0 | 112.2 | A46 K52 W53 E54 | A46-E50 VanDerWaalsContact O-CB 3.31Å; A46-E50 WeakPolarHBondContact O-CB 3.48Å; A46-E50 PolarHBondContact O-N 3.16Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 2.7Å; E50-W53 PolarHBondContact O-N 3.08Å; E50-E54 PolarHBondContact O-N 2.99Å |
| 51 | R | 51.7 | Low | 48.9 | Very low | 186 Ų | 186 | 116.2 Ų | 116.2 | 70% | 0.702 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.5 | -34.6 | 172.1 | -73.2 | 176.2 | -174.8 | -176.2 | 2 | 113.6 | T47 L48 L49 W53 E54 T55 | T47-R51 WeakPolarHBondContact O-CB 3.38Å; T47-R51 VanDerWaalsContact O-CG 3.24Å; T47-R51 WeakPolarHBondContact O-CG 3.39Å; T47-R51 PolarHBondContact O-N 3.46Å; L48-R51 PolarHBondContact O-N 2.82Å; L49-R51 PolarHBondContact O-N 3.48Å; R51-W53 VanDerWaalsContact C-N 3.33Å; R51-E54 PolarHBondContact O-N 3.23Å; R51-T55 PolarHBondContact O-N 3.39Å; R51-T55 PolarHBondContact O-OG1 2.97Å; R51-T55 VanDerWaalsContact O-OG1 3.06Å |
| 52 | K | 52.3 | Low | 49.3 | Very low | 125 Ų | 125 | 118.5 Ų | 118.5 | 54% | 0.543 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -33.8 | 175.5 | -173.2 | 177.1 | 177.9 | 179.7 | 0 | 111.3 | L48 L49 E50 T55 L56 | L48-K52 VanDerWaalsContact O-CB 3.27Å; L48-K52 WeakPolarHBondContact O-CB 3.15Å; L48-K52 PolarHBondContact O-N 3.4Å; L49-K52 CarbonylContact O-C 3.58Å; L49-K52 WeakPolarHBondContact O-CA 3.31Å; L49-K52 WeakPolarHBondContact O-CB 3.29Å; L49-K52 PolarHBondContact O-N 3.06Å; L49-K52 VanDerWaalsContact O-N 3.07Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 2.7Å; K52-T55 WeakPolarHBondContact CA-OG1 3.41Å; K52-T55 PolarHBondContact O-OG1 3.36Å; K52-L56 HydrophobicContact CG-CD1 4.33Å; K52-L56 WeakPolarHBondContact O-CG 3.29Å; K52-L56 PolarHBondContact O-N 3.26Å |
| 53 | W | 50.1 | Low | 49.8 | Very low | 85 Ų | 85 | 116.1 Ų | 116.1 | 32% | 0.322 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.5 | -43.2 | 175 | -70.1 | 110.3 | 0 | 0 | 0 | 111.8 | L49 E50 R51 T55 L56 F57 R133 | L49-W53 VanDerWaalsContact C-CD1 3.49Å; L49-W53 PolarHBondContact O-N 3.03Å; E50-W53 PolarHBondContact O-N 3.08Å; R51-W53 VanDerWaalsContact C-N 3.33Å; W53-T55 VanDerWaalsContact C-N 3.3Å; W53-T55 PolarHBondContact O-N 3.11Å; W53-L56 HydrophobicContact CE3-CD1 4.37Å; W53-L56 PolarHBondContact O-N 2.94Å; W53-F57 HydrophobicContact CB-CE2 4.1Å; W53-F57 HydrophobicContact CE3-CE2 4.4Å; W53-F57 HydrophobicContact CE3-CZ 4.13Å; W53-F57 WeakPolarHBondContact O-CD2 3.27Å; W53-F57 WeakPolarHBondContact O-CE2 3.41Å; W53-F57 PolarHBondContact O-N 2.88Å; W53-R133 VanDerWaalsContact CZ2-NH1 3.28Å |
| 54 | E | 52.6 | Low | 49.7 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 43% | 0.43 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.4 | -34.9 | 177.6 | -64.2 | -60.9 | 165 | 0 | 0 | 113.1 | E50 R51 | E50-E54 PolarHBondContact O-N 2.99Å; R51-E54 PolarHBondContact O-N 3.23Å |
| 55 | T | 52.8 | Low | 49.5 | Very low | 94 Ų | 94 | 116.1 Ų | 116.1 | 58% | 0.577 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75.6 | -26.6 | 176.9 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | R51 K52 W53 | R51-T55 PolarHBondContact O-N 3.39Å; R51-T55 PolarHBondContact O-OG1 2.97Å; R51-T55 VanDerWaalsContact O-OG1 3.06Å; K52-T55 WeakPolarHBondContact CA-OG1 3.41Å; K52-T55 PolarHBondContact O-OG1 3.36Å; W53-T55 VanDerWaalsContact C-N 3.3Å; W53-T55 PolarHBondContact O-N 3.11Å |
| 56 | L | 54 | Low | 49.8 | Very low | 80 Ų | 80 | 113.4 Ų | 113.4 | 42% | 0.419 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -74.9 | -32.1 | 176.6 | -71.7 | 170.6 | 0 | 0 | 0 | 113 | K52 W53 S58 | K52-L56 HydrophobicContact CG-CD1 4.33Å; K52-L56 WeakPolarHBondContact O-CG 3.29Å; K52-L56 PolarHBondContact O-N 3.26Å; W53-L56 HydrophobicContact CE3-CD1 4.37Å; W53-L56 PolarHBondContact O-N 2.94Å; L56-S58 PolarHBondContact O-N 3.07Å |
| 57 | F | 51.8 | Low | 49.3 | Very low | 58 Ų | 58 | 113.3 Ų | 113.3 | 25% | 0.254 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -9.5 | 175.9 | -61.4 | -58.6 | 0 | 0 | 0 | 114.2 | W53 V84 L116 V132 | W53-F57 HydrophobicContact CB-CE2 4.1Å; W53-F57 HydrophobicContact CE3-CE2 4.4Å; W53-F57 HydrophobicContact CE3-CZ 4.13Å; W53-F57 WeakPolarHBondContact O-CD2 3.27Å; W53-F57 WeakPolarHBondContact O-CE2 3.41Å; W53-F57 PolarHBondContact O-N 2.88Å; F57-V84 HydrophobicContact CD1-CB 3.94Å; F57-V84 HydrophobicContact CD1-CG1 4.02Å; F57-V84 HydrophobicContact CD1-CG2 3.54Å; F57-V84 HydrophobicContact CE1-CB 4.37Å; F57-V84 HydrophobicContact CE1-CG1 4.11Å; F57-V84 HydrophobicContact CE1-CG2 3.78Å; F57-V84 HydrophobicContact CG-CB 4.37Å; F57-V84 HydrophobicContact CG-CG1 4.3Å; F57-V84 HydrophobicContact CG-CG2 4.44Å; F57-V84 HydrophobicContact CZ-CG1 4.47Å; F57-L116 HydrophobicContact CE2-CD1 4.36Å; F57-V132 HydrophobicContact CE1-CG1 4.22Å; F57-V132 HydrophobicContact CZ-CG1 3.63Å |
| 58 | S | 42.4 | Very low | 49 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -9 | 178.3 | -70.8 | 0 | 0 | 0 | 0 | 114.4 | L56 | L56-S58 PolarHBondContact O-N 3.07Š|
| 59 | R | 43 | Very low | 48.6 | Very low | 202 Ų | 202 | 119.6 Ų | 119.6 | 76% | 0.762 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -98.6 | 96.2 | 174.5 | -90.4 | -175.2 | 172 | -148.7 | -1 | 110.1 | Y61 | R59-Y61 PolarHBondContact O-N 3.07Å; R59-Y61 VanDerWaalsContact O-N 3.07Å |
| 60 | S | 45.5 | Very low | 48.5 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 65% | 0.654 | S | S | * | * | trans | -23.6 | 107.2 | 155.2 | 33.2 | 0 | 0 | 0 | 0 | 112.8 | L62 | S60-L62 PolarHBondContact O-N 3.31Š| ||
| 61 | Y | 46.6 | Very low | 48.3 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 71% | 0.714 | 68% | 0.675 | S | S | * | * | trans | -67.6 | 104.6 | 177.1 | -77.9 | -94.7 | 0 | 0 | 0 | 109.3 | R59 G63 | R59-Y61 PolarHBondContact O-N 3.07Å; R59-Y61 VanDerWaalsContact O-N 3.07Å; Y61-G63 PolarHBondContact O-N 2.75Å | ||
| 62 | L | 44.5 | Very low | 48.4 | Very low | 171 Ų | 171 | 121.8 Ų | 121.8 | 90% | 0.895 | 66% | 0.659 | S | S | * | * | trans | -60.4 | 109.4 | 169.5 | -80.2 | 162 | 0 | 0 | 0 | 109.9 | S60 | S60-L62 PolarHBondContact O-N 3.31Š| ||
| 63 | G | 47.7 | Very low | 48.3 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | trans | -101.9 | 91.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110 | Y61 | Y61-G63 PolarHBondContact O-N 2.75Š| ||
| 64 | V | 46.1 | Very low | 48.4 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 82% | 0.824 | 68% | 0.678 | S | S | * | * | trans | -136.3 | 102.8 | 162 | 180 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 65 | N | 40.5 | Very low | 48.6 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 88% | 0.882 | 67% | 0.67 | S | S | * | * | trans | -125.1 | 121.6 | 154.9 | -161.1 | 11.3 | 0 | 0 | 0 | 107.9 | ||||
| 66 | G | 51.4 | Low | 48.8 | Very low | 73 Ų | 73 | 122.4 Ų | 122.4 | 75% | 0.753 | 66% | 0.66 | S | S | * | * | trans | -83.5 | 119.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 67 | G | 40.5 | Very low | 49 | Very low | 58 Ų | 58 | 124.8 Ų | 124.8 | 60% | 0.598 | 66% | 0.664 | S | S | * | * | trans | -155.8 | 115.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.5 | S69 | G67-S69 PolarHBondContact O-N 3.21Š| ||
| 68 | R | 51.2 | Low | 49.4 | Very low | 253 Ų | 253 | 123.3 Ų | 123.3 | 96% | 0.955 | 66% | 0.659 | S | S | * | * | trans | -63.4 | 118.5 | 179.4 | -90.6 | 175.5 | 170.6 | 168.7 | -3.6 | 110.9 | ||||
| 69 | S | 46 | Very low | 50.3 | Low | 80 Ų | 80 | 123.6 Ų | 123.6 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | trans | -140.2 | 121.4 | 147.5 | 55.6 | 0 | 0 | 0 | 0 | 108.9 | G67 | G67-S69 PolarHBondContact O-N 3.21Š| ||
| 70 | Q | 53.3 | Low | 51.4 | Low | 181 Ų | 181 | 116.7 Ų | 116.7 | 85% | 0.846 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 123.8 | -177.1 | -142.1 | 168.7 | -5.9 | 0 | 0 | 106.8 | ||
| 71 | L | 50.3 | Low | 53 | Low | 167 Ų | 167 | 116.1 Ų | 116.1 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.4 | 31.4 | 173.7 | -51.5 | 173.3 | 0 | 0 | 0 | 119.6 | ||
| 72 | N | 53.5 | Low | 55 | Low | 69 Ų | 69 | 113 Ų | 113 | 37% | 0.369 | 62% | 0.618 | S | S | . | * | trans | -145.4 | 14.9 | 158.1 | -161.1 | 40.2 | 0 | 0 | 0 | 116 | Q74 S75 D76 | N72-Q74 PolarHBondContact O-N 2.88Å; N72-S75 PolarHBondContact O-N 3.12Å; N72-S75 VanDerWaalsContact OD1-CB 3.24Å; N72-S75 WeakPolarHBondContact OD1-CB 3.31Å; N72-S75 PolarHBondContact OD1-OG 2.8Å; N72-D76 PolarHBondContact ND2-OD1 2.91Å; N72-D76 VanDerWaalsContact O-CG 3.31Å; N72-D76 PolarHBondContact O-N 3.01Å | ||
| 73 | W | 49.8 | Very low | 57.3 | Low | 158 Ų | 158 | 107.7 Ų | 107.7 | 60% | 0.598 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -49.7 | -30.2 | 179.9 | -60.6 | 110.8 | 0 | 0 | 0 | 113.2 | Y77 | W73-Y77 WeakPolarHBondContact O-CB 3.43Å; W73-Y77 WeakPolarHBondContact O-CD1 3.5Å; W73-Y77 PolarHBondContact O-N 3.24Å |
| 74 | Q | 52 | Low | 59.6 | Low | 145 Ų | 145 | 105.3 Ų | 105.3 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.2 | -46.5 | 179.8 | -97.2 | 158.5 | 12 | 0 | 0 | 115 | N72 Y77 L78 | N72-Q74 PolarHBondContact O-N 2.88Å; Q74-Y77 VanDerWaalsContact CA-CD1 3.42Å; Q74-Y77 HydrophobicContact CB-CD1 4.45Å; Q74-Y77 HydrophobicContact CB-CE1 3.85Å; Q74-Y77 HydrophobicContact CG-CD1 4.28Å; Q74-Y77 HydrophobicContact CG-CE1 3.41Å; Q74-Y77 VanDerWaalsContact CG-CE1 3.41Å; Q74-Y77 VanDerWaalsContact O-CD1 3.3Å; Q74-Y77 WeakPolarHBondContact O-CD1 3.48Å; Q74-Y77 WeakPolarHBondContact O-CE1 3.28Å; Q74-Y77 VanDerWaalsContact O-CZ 3.29Å; Q74-L78 VanDerWaalsContact O-CG 3.31Å; Q74-L78 WeakPolarHBondContact O-CG 3.5Å |
| 75 | S | 56.7 | Low | 62 | Low | 37 Ų | 37 | 102.5 Ų | 102.5 | 26% | 0.259 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -75.3 | -33.9 | 174.7 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | N72 L78 Q79 | N72-S75 PolarHBondContact O-N 3.12Å; N72-S75 VanDerWaalsContact OD1-CB 3.24Å; N72-S75 WeakPolarHBondContact OD1-CB 3.31Å; N72-S75 PolarHBondContact OD1-OG 2.8Å; S75-L78 WeakPolarHBondContact O-CB 3.25Å; S75-L78 PolarHBondContact O-N 3.1Å; S75-Q79 WeakPolarHBondContact O-CG 3.25Å; S75-Q79 PolarHBondContact O-N 3.28Å |
| 76 | D | 58.1 | Low | 64.7 | Low | 68 Ų | 68 | 95.4 Ų | 95.4 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.3 | -37.1 | -177.1 | -61.4 | -19.1 | 0 | 0 | 0 | 111.9 | N72 L78 Q79 G80 | N72-D76 PolarHBondContact ND2-OD1 2.91Å; N72-D76 VanDerWaalsContact O-CG 3.31Å; N72-D76 PolarHBondContact O-N 3.01Å; D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 2.87Å; D76-Q79 PolarHBondContact O-N 3.43Å; D76-G80 PolarHBondContact O-N 3.38Å |
| 77 | Y | 59.1 | Low | 67 | Low | 131 Ų | 131 | 92 Ų | 92 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 172.3 | 79.9 | -119.2 | 0 | 0 | 0 | 111.5 | W73 Q74 G80 | W73-Y77 WeakPolarHBondContact O-CB 3.43Å; W73-Y77 WeakPolarHBondContact O-CD1 3.5Å; W73-Y77 PolarHBondContact O-N 3.24Å; Q74-Y77 VanDerWaalsContact CA-CD1 3.42Å; Q74-Y77 HydrophobicContact CB-CD1 4.45Å; Q74-Y77 HydrophobicContact CB-CE1 3.85Å; Q74-Y77 HydrophobicContact CG-CD1 4.28Å; Q74-Y77 HydrophobicContact CG-CE1 3.41Å; Q74-Y77 VanDerWaalsContact CG-CE1 3.41Å; Q74-Y77 VanDerWaalsContact O-CD1 3.3Å; Q74-Y77 WeakPolarHBondContact O-CD1 3.48Å; Q74-Y77 WeakPolarHBondContact O-CE1 3.28Å; Q74-Y77 VanDerWaalsContact O-CZ 3.29Å; Y77-G80 PolarHBondContact O-N 2.78Å |
| 78 | L | 59.6 | Low | 69.7 | Low | 27 Ų | 27 | 91 Ų | 91 | 14% | 0.141 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 178.1 | -73.5 | 173.1 | 0 | 0 | 0 | 109.9 | Q74 S75 D76 G80 I81 T121 R124 | Q74-L78 VanDerWaalsContact O-CG 3.31Å; Q74-L78 WeakPolarHBondContact O-CG 3.5Å; S75-L78 WeakPolarHBondContact O-CB 3.25Å; S75-L78 PolarHBondContact O-N 3.1Å; D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 2.87Å; L78-G80 PolarHBondContact O-N 2.92Å; L78-G80 VanDerWaalsContact O-N 3.12Å; L78-I81 PolarHBondContact O-N 3.29Å; L78-T121 WeakPolarHBondContact O-CB 3.34Å; L78-T121 PolarHBondContact O-OG1 2.8Å; L78-R124 HydrophobicContact CD1-CB 4.28Å |
| 79 | Q | 61.4 | Low | 72 | Confident | 106 Ų | 106 | 79 Ų | 79 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -20.1 | 179.1 | -71.8 | 175.4 | 8.7 | 0 | 0 | 114 | S75 D76 T121 | S75-Q79 WeakPolarHBondContact O-CG 3.25Å; S75-Q79 PolarHBondContact O-N 3.28Å; D76-Q79 PolarHBondContact O-N 3.43Å; Q79-T121 WeakPolarHBondContact CA-O 3.33Å |
| 80 | G | 65.8 | Low | 74.4 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 59% | 0.588 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -18.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D76 Y77 L78 K82 | D76-G80 PolarHBondContact O-N 3.38Å; Y77-G80 PolarHBondContact O-N 2.78Å; L78-G80 PolarHBondContact O-N 2.92Å; L78-G80 VanDerWaalsContact O-N 3.12Å; G80-K82 PolarHBondContact O-N 2.97Å |
| 81 | I | 78.8 | Confident | 76.5 | Confident | 100 Ų | 100 | 71.2 Ų | 71.2 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | trans | -86.1 | 106.5 | -175.2 | -56.5 | 175.1 | 0 | 0 | 0 | 110 | L78 T121 | L78-I81 PolarHBondContact O-N 3.29Å; I81-T121 PolarHBondContact O-OG1 3.13Å | ||
| 82 | K | 88.1 | Confident | 78.7 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.3 | 175.9 | -63.2 | -177.4 | 163.9 | -145.2 | 0 | 110.1 | G80 E118 | G80-K82 PolarHBondContact O-N 2.97Å; K82-E118 HydrophobicContact CB-CG 4.49Å; K82-E118 WeakPolarHBondContact CD-OE1 3.36Å; K82-E118 WeakPolarHBondContact CE-OE1 3.48Å; K82-E118 IonicContact NZ-OE1 2.76Å; K82-E118 PolarHBondContact NZ-OE1 2.78Å |
| 83 | R | 93.8 | Very high | 80.8 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 22% | 0.219 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128.6 | 175.9 | 61.5 | -171.9 | 173.5 | 105 | -2.2 | 110.1 | R85 I119 E160 | R83-R85 HydrophobicContact CG-CG 4.47Å; R83-I119 HydrophobicContact CG-CB 3.71Å; R83-I119 HydrophobicContact CG-CD1 4.32Å; R83-I119 HydrophobicContact CG-CG1 4.4Å; R83-I119 HydrophobicContact CG-CG2 4.41Å; R83-I119 VanDerWaalsContact CZ-CD1 3.44Å; R83-I119 PolarHBondContact N-O 2.81Å; R83-I119 PolarHBondContact O-N 2.8Å; R83-E160 IonicContact CZ-OE1 3.72Å; R83-E160 IonicContact CZ-OE2 3.85Å; R83-E160 IonicContact NH1-OE1 3.91Å; R83-E160 IonicContact NH2-OE1 2.69Å; R83-E160 PolarHBondContact NH2-OE1 3.03Å; R83-E160 IonicContact NH2-OE2 2.71Å; R83-E160 PolarHBondContact NH2-OE2 2.88Å |
| 84 | V | 95.1 | Very high | 83 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.4 | 175 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | F57 L116 I117 E118 V132 | F57-V84 HydrophobicContact CD1-CB 3.94Å; F57-V84 HydrophobicContact CD1-CG1 4.02Å; F57-V84 HydrophobicContact CD1-CG2 3.54Å; F57-V84 HydrophobicContact CE1-CB 4.37Å; F57-V84 HydrophobicContact CE1-CG1 4.11Å; F57-V84 HydrophobicContact CE1-CG2 3.78Å; F57-V84 HydrophobicContact CG-CB 4.37Å; F57-V84 HydrophobicContact CG-CG1 4.3Å; F57-V84 HydrophobicContact CG-CG2 4.44Å; F57-V84 HydrophobicContact CZ-CG1 4.47Å; V84-L116 HydrophobicContact CG1-CB 4.48Å; V84-L116 HydrophobicContact CG1-CD2 4.17Å; V84-I117 WeakPolarHBondContact CA-O 3.24Å; V84-E118 HydrophobicContact CG2-CB 4.17Å; V84-E118 HydrophobicContact CG2-CG 4.4Å; V84-V132 HydrophobicContact CG1-CG2 4.24Å |
| 85 | R | 97.1 | Very high | 85.3 | Confident | 77 Ų | 77 | 54.5 Ų | 54.5 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 164.1 | -174 | -63.8 | -64.5 | -178.4 | -89 | 3.6 | 110.4 | R83 I117 I119 P205 R206 L207 | R83-R85 HydrophobicContact CG-CG 4.47Å; R85-I117 PolarHBondContact N-O 2.85Å; R85-I117 PolarHBondContact O-N 3.46Å; R85-I117 VanDerWaalsContact O-O 3.09Å; R85-I119 HydrophobicContact CB-CD1 4.13Å; R85-I119 HydrophobicContact CG-CD1 4.49Å; R85-P205 HydrophobicContact CB-CB 4.22Å; R85-P205 HydrophobicContact CG-CB 4.22Å; R85-R206 CarbonylContact C-O 3.54Å; R85-R206 WeakPolarHBondContact CA-O 3.4Å; R85-R206 VanDerWaalsContact CB-O 3.3Å; R85-R206 WeakPolarHBondContact CB-O 3.48Å; R85-R206 VanDerWaalsContact CD-O 3.24Å; R85-R206 WeakPolarHBondContact CD-O 3.46Å; R85-L207 VanDerWaalsContact NH1-CD2 3.26Å |
| 86 | R | 97.8 | Very high | 87.2 | Confident | 17 Ų | 17 | 53 Ų | 53 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.1 | 165.5 | -62.2 | 173.5 | 171.9 | 82.6 | -5.1 | 108.6 | Y88 E111 L116 R206 L207 | R86-Y88 PolarHBondContact O-N 2.94Å; R86-E111 IonicContact CZ-OE2 3.82Å; R86-E111 IonicContact NE-OE2 3.83Å; R86-E111 IonicContact NH2-OE2 3.98Å; R86-L116 HydrophobicContact CG-CD2 4.19Å; R86-L116 VanDerWaalsContact CZ-CD2 3.47Å; R86-R206 PolarHBondContact N-O 2.98Å; R86-R206 PolarHBondContact O-N 2.85Å; R86-L207 PolarHBondContact NH1-OXT 3.27Å |
| 87 | L | 98.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 98.5 | 178.1 | -64 | -177.6 | 0 | 0 | 0 | 109.9 | H96 L97 I117 I119 L129 Y170 F203 P205 | L87-H96 CarbonylContact O-C 3.48Å; L87-H96 WeakPolarHBondContact O-CA 3.29Å; L87-L97 HydrophobicContact CB-CB 4.05Å; L87-L97 HydrophobicContact CD1-CD2 4.07Å; L87-L97 PolarHBondContact O-N 2.84Å; L87-I117 HydrophobicContact CD1-CD1 4.01Å; L87-I117 HydrophobicContact CG-CD1 4.16Å; L87-I119 HydrophobicContact CD2-CD1 3.88Å; L87-L129 HydrophobicContact CD1-CD1 3.97Å; L87-L129 HydrophobicContact CD1-CD2 3.96Å; L87-Y170 HydrophobicContact CD1-CD2 4.45Å; L87-Y170 HydrophobicContact CD1-CE2 3.86Å; L87-Y170 HydrophobicContact CD2-CE2 3.99Å; L87-Y170 WeakPolarHBondContact CD2-OH 3.25Å; L87-Y170 HydrophobicContact CG-CE2 4.5Å; L87-F203 HydrophobicContact CB-CB 4.47Å; L87-F203 HydrophobicContact CB-CD1 3.94Å; L87-P205 HydrophobicContact CD2-CB 4.29Å; L87-P205 HydrophobicContact CD2-CG 4.19Å |
| 88 | Y | 98.4 | Very high | 91 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.5 | -177.3 | 176.7 | -102.3 | 0 | 0 | 0 | 112.3 | R86 N90 G94 F95 H96 F203 L204 | R86-Y88 PolarHBondContact O-N 2.94Å; Y88-N90 HydrophobicContact CE1-CB 3.84Å; Y88-G94 WeakPolarHBondContact OH-CA 3.11Å; Y88-F95 CarbonylContact C-O 3.54Å; Y88-H96 AromaticContact CD2-CD2 3.85Å; Y88-H96 AromaticContact CD2-CE1 3.76Å; Y88-H96 AromaticContact CD2-NE2 3.47Å; Y88-H96 WeakPolarHBondContact CD2-NE2 3.48Å; Y88-F203 CarbonylContact O-C 3.56Å; Y88-F203 VanDerWaalsContact O-CA 3.3Å; Y88-F203 WeakPolarHBondContact O-CA 3.35Å; Y88-L204 PolarHBondContact N-O 2.7Å; Y88-L204 PolarHBondContact O-N 3.11Å |
| 89 | C | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121 | 173.4 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | V91 G94 F95 L182 H202 F203 | C89-V91 VanDerWaalsContact C-N 3.3Å; C89-V91 HydrophobicContact CB-CG2 4.4Å; C89-V91 PolarHBondContact O-N 3.48Å; C89-G94 WeakPolarHBondContact O-CA 3.34Å; C89-F95 PolarHBondContact N-O 2.77Å; C89-F95 PolarHBondContact O-N 2.76Å; C89-L182 HydrophobicContact CB-CB 4.42Å; C89-L182 HydrophobicContact CB-CD1 4.12Å; C89-H202 WeakPolarHBondContact CA-O 3.46Å; C89-H202 PolarHBondContact SG-O 3.31Å; C89-F203 HydrophobicContact CB-CD1 3.78Å; C89-F203 HydrophobicContact CB-CE1 3.61Å; C89-F203 HydrophobicContact CB-CZ 4.18Å |
| 90 | N | 97.4 | Very high | 94.6 | Very high | 89 Ų | 89 | 39.7 Ų | 39.7 | 48% | 0.476 | 22% | 0.218 | S | C | . | . | trans | -83.1 | 70.7 | -179 | -170.7 | 11.3 | 0 | 0 | 0 | 111.5 | Y88 Y167 | Y88-N90 HydrophobicContact CE1-CB 3.84Å; N90-Y167 HydrophobicContact CB-CE1 4.3Å | ||
| 91 | V | 96.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -131.5 | 138.1 | 176.9 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | C89 I93 G94 F95 V200 | C89-V91 VanDerWaalsContact C-N 3.3Å; C89-V91 HydrophobicContact CB-CG2 4.4Å; C89-V91 PolarHBondContact O-N 3.48Å; V91-I93 PolarHBondContact O-N 2.91Å; V91-G94 WeakPolarHBondContact O-CA 3.26Å; V91-G94 PolarHBondContact O-N 3.32Å; V91-F95 HydrophobicContact CG2-CD2 4.05Å; V91-F95 WeakPolarHBondContact O-CD2 3.48Å; V91-F95 VanDerWaalsContact O-CE2 3.23Å; V91-F95 WeakPolarHBondContact O-CE2 3.5Å; V91-V200 HydrophobicContact CG1-CG1 4.2Å |
| 92 | G | 96.5 | Very high | 97.1 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 63% | 0.629 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -119.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G94 | G92-G94 VanDerWaalsContact C-N 3.28Š|
| 93 | I | 97 | Very high | 97.5 | Very high | 111 Ų | 111 | 36.6 Ų | 36.6 | 57% | 0.569 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -1.4 | 173.6 | 61.8 | 172.9 | 0 | 0 | 0 | 113.3 | V91 F95 H109 | V91-I93 PolarHBondContact O-N 2.91Å; I93-F95 HydrophobicContact CD1-CE1 4.14Å; I93-F95 HydrophobicContact CD1-CZ 4.09Å; I93-F95 HydrophobicContact CG1-CE1 3.94Å; I93-F95 HydrophobicContact CG1-CE2 4.03Å; I93-F95 HydrophobicContact CG1-CZ 3.53Å; I93-H109 HydrophobicContact CD1-CB 3.83Å; I93-H109 HydrophobicContact CG1-CB 4.4Å; I93-H109 PolarHBondContact O-CE1 3.25Å; I93-H109 PolarHBondContact O-ND1 3.05Å |
| 94 | G | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | 83 | 138.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y88 C89 V91 G92 H109 | Y88-G94 WeakPolarHBondContact OH-CA 3.11Å; C89-G94 WeakPolarHBondContact O-CA 3.34Å; V91-G94 WeakPolarHBondContact O-CA 3.26Å; V91-G94 PolarHBondContact O-N 3.32Å; G92-G94 VanDerWaalsContact C-N 3.28Å; G94-H109 PolarHBondContact O-ND1 3.32Å | ||
| 95 | F | 98.5 | Very high | 97.9 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 138.3 | -175 | -59.6 | -85.7 | 0 | 0 | 0 | 112 | Y88 C89 V91 I93 V108 H109 L182 K184 G186 | Y88-F95 CarbonylContact C-O 3.54Å; C89-F95 PolarHBondContact N-O 2.77Å; C89-F95 PolarHBondContact O-N 2.76Å; V91-F95 HydrophobicContact CG2-CD2 4.05Å; V91-F95 WeakPolarHBondContact O-CD2 3.48Å; V91-F95 VanDerWaalsContact O-CE2 3.23Å; V91-F95 WeakPolarHBondContact O-CE2 3.5Å; I93-F95 HydrophobicContact CD1-CE1 4.14Å; I93-F95 HydrophobicContact CD1-CZ 4.09Å; I93-F95 HydrophobicContact CG1-CE1 3.94Å; I93-F95 HydrophobicContact CG1-CE2 4.03Å; I93-F95 HydrophobicContact CG1-CZ 3.53Å; F95-V108 CarbonylContact C-O 3.58Å; F95-V108 WeakPolarHBondContact CA-O 3.5Å; F95-H109 HydrophobicContact CD1-CB 4.45Å; F95-L182 HydrophobicContact CB-CD1 3.95Å; F95-K184 WeakPolarHBondContact CE2-O 3.28Å; F95-G186 VanDerWaalsContact CZ-N 3.34Å |
| 96 | H | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 136.1 | 166.7 | -58.4 | 95 | 0 | 0 | 0 | 110 | L87 Y88 Q98 G107 V108 H109 | L87-H96 CarbonylContact O-C 3.48Å; L87-H96 WeakPolarHBondContact O-CA 3.29Å; Y88-H96 AromaticContact CD2-CD2 3.85Å; Y88-H96 AromaticContact CD2-CE1 3.76Å; Y88-H96 AromaticContact CD2-NE2 3.47Å; Y88-H96 WeakPolarHBondContact CD2-NE2 3.48Å; H96-Q98 PolarHBondContact O-N 2.99Å; H96-G107 CarbonylContact O-C 3.59Å; H96-G107 VanDerWaalsContact O-CA 3.28Å; H96-G107 WeakPolarHBondContact O-CA 3.21Å; H96-V108 HydrophobicContact CB-CG1 4.27Å; H96-V108 PolarHBondContact N-O 2.95Å; H96-V108 PolarHBondContact O-N 2.92Å; H96-H109 PolarHBondContact ND1-O 3.47Å |
| 97 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 131.6 | 171.1 | -168.4 | 69.4 | 0 | 0 | 0 | 109.7 | L87 I105 S115 I117 I180 L182 F203 | L87-L97 HydrophobicContact CB-CB 4.05Å; L87-L97 HydrophobicContact CD1-CD2 4.07Å; L87-L97 PolarHBondContact O-N 2.84Å; L97-I105 HydrophobicContact CD1-CG2 3.63Å; L97-I105 HydrophobicContact CG-CG2 4.28Å; L97-S115 WeakPolarHBondContact O-CA 3.34Å; L97-S115 WeakPolarHBondContact O-CB 3.44Å; L97-I117 HydrophobicContact CB-CD1 4.03Å; L97-I117 HydrophobicContact CD2-CD1 3.82Å; L97-I117 HydrophobicContact CG-CD1 4.13Å; L97-I180 HydrophobicContact CD2-CG2 4.4Å; L97-L182 HydrophobicContact CD1-CD1 4.37Å; L97-L182 HydrophobicContact CD1-CD2 4.08Å; L97-L182 HydrophobicContact CD1-CG 4.4Å; L97-F203 HydrophobicContact CB-CE1 4.43Å |
| 98 | Q | 97.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.5 | -178 | -171.8 | -175.7 | 21.9 | 0 | 0 | 110 | H96 L100 I105 S106 V108 N112 Y114 | H96-Q98 PolarHBondContact O-N 2.99Å; Q98-L100 HydrophobicContact CG-CD2 4.08Å; Q98-L100 HydrophobicContact CG-CG 4.46Å; Q98-I105 WeakPolarHBondContact O-CA 3.17Å; Q98-S106 WeakPolarHBondContact CB-O 3.21Å; Q98-S106 PolarHBondContact N-O 3.03Å; Q98-S106 PolarHBondContact O-N 2.92Å; Q98-S106 VanDerWaalsContact O-N 3.13Å; Q98-V108 HydrophobicContact CB-CG1 4.03Å; Q98-V108 HydrophobicContact CG-CG1 4.4Å; Q98-N112 PolarHBondContact NE2-ND2 2.95Å; Q98-Y114 WeakPolarHBondContact CA-O 3.39Å; Q98-Y114 VanDerWaalsContact CG-CB 3.49Å |
| 99 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 108.3 | 175.2 | -171 | 0 | 0 | 0 | 0 | 108.4 | I105 Y114 S134 L136 V138 | V99-I105 HydrophobicContact CG1-CG1 4.36Å; V99-I105 HydrophobicContact CG2-CG1 4.48Å; V99-Y114 PolarHBondContact N-O 3.24Å; V99-S134 WeakPolarHBondContact CG1-OG 3.38Å; V99-S134 VanDerWaalsContact O-CB 3.26Å; V99-S134 WeakPolarHBondContact O-CB 3.29Å; V99-S134 PolarHBondContact O-OG 2.98Å; V99-L136 HydrophobicContact CG1-CB 3.97Å; V99-V138 HydrophobicContact CG2-CG2 3.59Å |
| 100 | L | 98.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | trans | -83.3 | 157.2 | -176.3 | -65 | 173.2 | 0 | 0 | 0 | 111.8 | Q98 D102 G103 R104 Y114 L136 | Q98-L100 HydrophobicContact CG-CD2 4.08Å; Q98-L100 HydrophobicContact CG-CG 4.46Å; L100-D102 WeakPolarHBondContact CB-OD1 3.28Å; L100-D102 PolarHBondContact O-N 2.52Å; L100-G103 PolarHBondContact O-N 3.2Å; L100-R104 HydrophobicContact CB-CB 4.48Å; L100-R104 WeakPolarHBondContact CB-O 3.48Å; L100-R104 HydrophobicContact CD1-CB 4.2Å; L100-R104 HydrophobicContact CD1-CG 4.46Å; L100-R104 PolarHBondContact N-O 3.45Å; L100-Y114 HydrophobicContact CD2-CD2 4.41Å; L100-Y114 HydrophobicContact CD2-CG 4.5Å; L100-L136 WeakPolarHBondContact O-CD1 3.37Å | ||
| 101 | P | 98.1 | Very high | 97.4 | Very high | 79 Ų | 79 | 46.6 Ų | 46.6 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.9 | -180 | -24.3 | 34.8 | 0 | 0 | 0 | 114.9 | G103 Y114 | P101-G103 PolarHBondContact O-N 3.12Å; P101-Y114 HydrophobicContact CG-CD1 4.23Å; P101-Y114 HydrophobicContact CG-CE1 3.42Å; P101-Y114 VanDerWaalsContact CG-CE1 3.42Å |
| 102 | D | 97.6 | Very high | 97.2 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 1.1 | 176 | 67.8 | -15 | 0 | 0 | 0 | 113 | L100 R104 | L100-D102 WeakPolarHBondContact CB-OD1 3.28Å; L100-D102 PolarHBondContact O-N 2.52Å; D102-R104 VanDerWaalsContact C-N 3.27Å; D102-R104 PolarHBondContact O-N 3.47Å; D102-R104 WeakPolarHBondContact OD1-CB 3.4Å; D102-R104 PolarHBondContact OD1-N 3.31Å |
| 103 | G | 97.7 | Very high | 97.2 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 80.2 | 4.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L100 P101 G148 | L100-G103 PolarHBondContact O-N 3.2Å; P101-G103 PolarHBondContact O-N 3.12Å; G103-G148 PolarHBondContact O-N 3.39Å |
| 104 | R | 98.1 | Very high | 97.2 | Very high | 158 Ų | 158 | 45.8 Ų | 45.8 | 60% | 0.596 | 24% | 0.24 | S | C | * | . | trans | -77.8 | 141.1 | 173.6 | -174.1 | 176.6 | 175.2 | -179.2 | -2.6 | 110.6 | L100 D102 | L100-R104 HydrophobicContact CB-CB 4.48Å; L100-R104 WeakPolarHBondContact CB-O 3.48Å; L100-R104 HydrophobicContact CD1-CB 4.2Å; L100-R104 HydrophobicContact CD1-CG 4.46Å; L100-R104 PolarHBondContact N-O 3.45Å; D102-R104 VanDerWaalsContact C-N 3.27Å; D102-R104 PolarHBondContact O-N 3.47Å; D102-R104 WeakPolarHBondContact OD1-CB 3.4Å; D102-R104 PolarHBondContact OD1-N 3.31Å | ||
| 105 | I | 98.5 | Very high | 97.2 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.1 | 174.9 | -61.1 | -177.6 | 0 | 0 | 0 | 108.9 | L97 Q98 V99 V138 L146 Y147 V188 | L97-I105 HydrophobicContact CD1-CG2 3.63Å; L97-I105 HydrophobicContact CG-CG2 4.28Å; Q98-I105 WeakPolarHBondContact O-CA 3.17Å; V99-I105 HydrophobicContact CG1-CG1 4.36Å; V99-I105 HydrophobicContact CG2-CG1 4.48Å; I105-V138 HydrophobicContact CD1-CB 4.1Å; I105-V138 HydrophobicContact CD1-CG1 3.72Å; I105-V138 HydrophobicContact CD1-CG2 3.98Å; I105-L146 HydrophobicContact CB-CB 4.25Å; I105-L146 HydrophobicContact CD1-CB 4.06Å; I105-L146 HydrophobicContact CG2-CB 4.36Å; I105-L146 HydrophobicContact CG2-CD1 4.25Å; I105-Y147 VanDerWaalsContact CD1-C 3.45Å; I105-Y147 WeakPolarHBondContact CD1-O 3.4Å; I105-V188 HydrophobicContact CB-CG2 4.29Å; I105-V188 HydrophobicContact CG2-CG2 3.92Å; I105-V188 WeakPolarHBondContact O-CG2 3.43Å |
| 106 | S | 98.1 | Very high | 97.1 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 172.5 | 179.6 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | Q98 | Q98-S106 WeakPolarHBondContact CB-O 3.21Å; Q98-S106 PolarHBondContact N-O 3.03Å; Q98-S106 PolarHBondContact O-N 2.92Å; Q98-S106 VanDerWaalsContact O-N 3.13Å |
| 107 | G | 98.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H96 G186 | H96-G107 CarbonylContact O-C 3.59Å; H96-G107 VanDerWaalsContact O-CA 3.28Å; H96-G107 WeakPolarHBondContact O-CA 3.21Å; G107-G186 WeakPolarHBondContact CA-O 3.36Å; G107-G186 PolarHBondContact N-O 3.29Å |
| 108 | V | 97.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.8 | 174 | 64.9 | 0 | 0 | 0 | 0 | 110 | F95 H96 Q98 S110 N112 | F95-V108 CarbonylContact C-O 3.58Å; F95-V108 WeakPolarHBondContact CA-O 3.5Å; H96-V108 HydrophobicContact CB-CG1 4.27Å; H96-V108 PolarHBondContact N-O 2.95Å; H96-V108 PolarHBondContact O-N 2.92Å; Q98-V108 HydrophobicContact CB-CG1 4.03Å; Q98-V108 HydrophobicContact CG-CG1 4.4Å; V108-S110 WeakPolarHBondContact CG1-O 3.3Å; V108-S110 WeakPolarHBondContact CG2-O 3.03Å; V108-N112 HydrophobicContact CG1-CB 4.36Å |
| 109 | H | 96.8 | Very high | 97 | Very high | 102 Ų | 102 | 46.5 Ų | 46.5 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -72.2 | -54.1 | -178.4 | 179.3 | 63.5 | 0 | 0 | 0 | 111.5 | I93 G94 F95 H96 | I93-H109 HydrophobicContact CD1-CB 3.83Å; I93-H109 HydrophobicContact CG1-CB 4.4Å; I93-H109 PolarHBondContact O-CE1 3.25Å; I93-H109 PolarHBondContact O-ND1 3.05Å; G94-H109 PolarHBondContact O-ND1 3.32Å; F95-H109 HydrophobicContact CD1-CB 4.45Å; H96-H109 PolarHBondContact ND1-O 3.47Å |
| 110 | S | 94.3 | Very high | 96.9 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 53% | 0.531 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -73.9 | 146 | 176.6 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | V108 N112 | V108-S110 WeakPolarHBondContact CG1-O 3.3Å; V108-S110 WeakPolarHBondContact CG2-O 3.03Å; S110-N112 PolarHBondContact O-N 3.43Å |
| 111 | E | 91.2 | Very high | 96.6 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | trans | -58.9 | 134.1 | 170.4 | -64.5 | 178.3 | -164.7 | 0 | 0 | 110.5 | R86 | R86-E111 IonicContact CZ-OE2 3.82Å; R86-E111 IonicContact NE-OE2 3.83Å; R86-E111 IonicContact NH2-OE2 3.98Å | ||
| 112 | N | 93.1 | Very high | 96.4 | Very high | 42 Ų | 42 | 44.7 Ų | 44.7 | 23% | 0.225 | 23% | 0.234 | C | C | . | . | trans | -140.4 | 145.4 | -178.1 | 178.1 | -40.1 | 0 | 0 | 0 | 108.4 | Q98 V108 S110 Y114 S115 | Q98-N112 PolarHBondContact NE2-ND2 2.95Å; V108-N112 HydrophobicContact CG1-CB 4.36Å; S110-N112 PolarHBondContact O-N 3.43Å; N112-Y114 PolarHBondContact O-N 2.8Å; N112-Y114 VanDerWaalsContact O-N 3.08Å; N112-Y114 WeakPolarHBondContact OD1-CD2 3.44Å; N112-Y114 PolarHBondContact OD1-N 2.81Å; N112-S115 PolarHBondContact N-OG 2.83Å; N112-S115 WeakPolarHBondContact O-CB 3.46Å; N112-S115 PolarHBondContact O-N 3.45Å; N112-S115 PolarHBondContact O-OG 3.28Å | ||
| 113 | P | 95.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 42.9 Ų | 42.9 | 25% | 0.253 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -45.5 | -39.3 | 172.3 | -29.7 | 33.3 | 0 | 0 | 0 | 114.5 | S115 L116 R133 | P113-S115 PolarHBondContact O-N 3.11Å; P113-L116 WeakPolarHBondContact O-CB 3.31Å; P113-L116 PolarHBondContact O-N 2.91Å; P113-R133 HydrophobicContact CB-CG 3.64Å; P113-R133 WeakPolarHBondContact O-CG 2.86Å |
| 114 | Y | 97.9 | Very high | 95.7 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -72.1 | -5.8 | 178.8 | -61.7 | -66.9 | 0 | 0 | 0 | 115 | Q98 V99 L100 P101 N112 R133 | Q98-Y114 WeakPolarHBondContact CA-O 3.39Å; Q98-Y114 VanDerWaalsContact CG-CB 3.49Å; V99-Y114 PolarHBondContact N-O 3.24Å; L100-Y114 HydrophobicContact CD2-CD2 4.41Å; L100-Y114 HydrophobicContact CD2-CG 4.5Å; P101-Y114 HydrophobicContact CG-CD1 4.23Å; P101-Y114 HydrophobicContact CG-CE1 3.42Å; P101-Y114 VanDerWaalsContact CG-CE1 3.42Å; N112-Y114 PolarHBondContact O-N 2.8Å; N112-Y114 VanDerWaalsContact O-N 3.08Å; N112-Y114 WeakPolarHBondContact OD1-CD2 3.44Å; N112-Y114 PolarHBondContact OD1-N 2.81Å; Y114-R133 HydrophobicContact CD1-CB 3.71Å; Y114-R133 HydrophobicContact CE1-CB 3.96Å |
| 115 | S | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -92.9 | -4.3 | 173.6 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | L97 N112 P113 I117 | L97-S115 WeakPolarHBondContact O-CA 3.34Å; L97-S115 WeakPolarHBondContact O-CB 3.44Å; N112-S115 PolarHBondContact N-OG 2.83Å; N112-S115 WeakPolarHBondContact O-CB 3.46Å; N112-S115 PolarHBondContact O-N 3.45Å; N112-S115 PolarHBondContact O-OG 3.28Å; P113-S115 PolarHBondContact O-N 3.11Å; S115-I117 PolarHBondContact O-N 2.86Å |
| 116 | L | 97.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | trans | -74.9 | 118.1 | 171.2 | -72 | 172.7 | 0 | 0 | 0 | 109.8 | F57 V84 R86 P113 V132 | F57-L116 HydrophobicContact CE2-CD1 4.36Å; V84-L116 HydrophobicContact CG1-CB 4.48Å; V84-L116 HydrophobicContact CG1-CD2 4.17Å; R86-L116 HydrophobicContact CG-CD2 4.19Å; R86-L116 VanDerWaalsContact CZ-CD2 3.47Å; P113-L116 WeakPolarHBondContact O-CB 3.31Å; P113-L116 PolarHBondContact O-N 2.91Å; L116-V132 HydrophobicContact CB-CB 4.2Å; L116-V132 HydrophobicContact CB-CG2 4.31Å; L116-V132 PolarHBondContact O-N 2.76Å | ||
| 117 | I | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.2 | -178.1 | -60.2 | -179.7 | 0 | 0 | 0 | 108.7 | V84 R85 L87 L97 S115 I119 L129 F130 | V84-I117 WeakPolarHBondContact CA-O 3.24Å; R85-I117 PolarHBondContact N-O 2.85Å; R85-I117 PolarHBondContact O-N 3.46Å; R85-I117 VanDerWaalsContact O-O 3.09Å; L87-I117 HydrophobicContact CD1-CD1 4.01Å; L87-I117 HydrophobicContact CG-CD1 4.16Å; L97-I117 HydrophobicContact CB-CD1 4.03Å; L97-I117 HydrophobicContact CD2-CD1 3.82Å; L97-I117 HydrophobicContact CG-CD1 4.13Å; S115-I117 PolarHBondContact O-N 2.86Å; I117-I119 HydrophobicContact CG2-CG1 4.09Å; I117-L129 HydrophobicContact CG2-CB 3.89Å; I117-L129 HydrophobicContact CG2-CD2 3.94Å; I117-F130 CarbonylContact C-O 3.6Å; I117-F130 WeakPolarHBondContact CA-O 3.27Å |
| 118 | E | 97.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 121.3 | 164.2 | 178.9 | 179.1 | 132.1 | 0 | 0 | 108.3 | K82 V84 S120 F130 V132 | K82-E118 HydrophobicContact CB-CG 4.49Å; K82-E118 WeakPolarHBondContact CD-OE1 3.36Å; K82-E118 WeakPolarHBondContact CE-OE1 3.48Å; K82-E118 IonicContact NZ-OE1 2.76Å; K82-E118 PolarHBondContact NZ-OE1 2.78Å; V84-E118 HydrophobicContact CG2-CB 4.17Å; V84-E118 HydrophobicContact CG2-CG 4.4Å; E118-S120 PolarHBondContact OE1-OG 3.16Å; E118-F130 HydrophobicContact CB-CB 4.28Å; E118-F130 HydrophobicContact CB-CD1 4.48Å; E118-F130 PolarHBondContact N-O 2.73Å; E118-F130 PolarHBondContact O-N 2.89Å; E118-V132 HydrophobicContact CB-CG2 3.98Å |
| 119 | I | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.9 | 177.7 | -50.1 | 170.9 | 0 | 0 | 0 | 106.7 | R83 R85 L87 I117 I127 S128 L129 | R83-I119 HydrophobicContact CG-CB 3.71Å; R83-I119 HydrophobicContact CG-CD1 4.32Å; R83-I119 HydrophobicContact CG-CG1 4.4Å; R83-I119 HydrophobicContact CG-CG2 4.41Å; R83-I119 VanDerWaalsContact CZ-CD1 3.44Å; R83-I119 PolarHBondContact N-O 2.81Å; R83-I119 PolarHBondContact O-N 2.8Å; R85-I119 HydrophobicContact CB-CD1 4.13Å; R85-I119 HydrophobicContact CG-CD1 4.49Å; L87-I119 HydrophobicContact CD2-CD1 3.88Å; I117-I119 HydrophobicContact CG2-CG1 4.09Å; I119-I127 HydrophobicContact CG2-CB 3.97Å; I119-I127 HydrophobicContact CG2-CD1 3.56Å; I119-I127 HydrophobicContact CG2-CG1 4.38Å; I119-I127 HydrophobicContact CG2-CG2 4.06Å; I119-S128 WeakPolarHBondContact CA-O 3.32Å; I119-L129 HydrophobicContact CB-CD2 4.3Å; I119-L129 HydrophobicContact CD1-CD2 4.3Å; I119-L129 HydrophobicContact CG1-CD2 3.69Å; I119-L129 HydrophobicContact CG2-CD2 4.04Å |
| 120 | S | 95.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 41 Ų | 41 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.1 | -179.5 | -60 | 0 | 0 | 0 | 0 | 109.6 | E118 I127 S128 | E118-S120 PolarHBondContact OE1-OG 3.16Å; S120-I127 CarbonylContact O-C 3.5Å; S120-I127 VanDerWaalsContact O-CA 3.22Å; S120-I127 WeakPolarHBondContact O-CA 3.37Å; S120-S128 PolarHBondContact N-O 3.24Å; S120-S128 VanDerWaalsContact N-O 3.11Å; S120-S128 PolarHBondContact O-N 3.4Å |
| 121 | T | 93.9 | Very high | 95.6 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 127.3 | 173.1 | 23.4 | 0 | 0 | 0 | 0 | 110.2 | L78 Q79 I81 I127 | L78-T121 WeakPolarHBondContact O-CB 3.34Å; L78-T121 PolarHBondContact O-OG1 2.8Å; Q79-T121 WeakPolarHBondContact CA-O 3.33Å; I81-T121 PolarHBondContact O-OG1 3.13Å; T121-I127 HydrophobicContact CG2-CG2 3.98Å |
| 122 | V | 91.9 | Very high | 95.9 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 20% | 0.2 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -38.1 | -179.7 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | V126 F152 K157 | V122-V126 PolarHBondContact N-O 3.49Å; V122-F152 HydrophobicContact CG1-CZ 4.25Å; V122-F152 HydrophobicContact CG2-CZ 3.95Å; V122-K157 HydrophobicContact CG1-CD 4.28Å; V122-K157 HydrophobicContact CG1-CG 4.41Å |
| 123 | D | 91.8 | Very high | 96.1 | Very high | 80 Ų | 80 | 35.2 Ų | 35.2 | 43% | 0.428 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 176.7 | 177.2 | -160.2 | -16.1 | 0 | 0 | 0 | 108.1 | G125 V126 | D123-G125 PolarHBondContact O-N 3.44Å; D123-V126 HydrophobicContact CB-CB 4.01Å; D123-V126 HydrophobicContact CB-CG2 4.29Å; D123-V126 PolarHBondContact N-O 2.91Å; D123-V126 PolarHBondContact O-N 2.81Å |
| 124 | R | 90.6 | Very high | 96.2 | Very high | 218 Ų | 218 | 34.1 Ų | 34.1 | 82% | 0.823 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 109.8 | 179.7 | -174.1 | 176.8 | 178.7 | 176.5 | -0.3 | 111.2 | L78 V126 | L78-R124 HydrophobicContact CD1-CB 4.28Å; R124-V126 PolarHBondContact O-N 2.91Å |
| 125 | G | 92.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 8.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D123 K159 E160 | D123-G125 PolarHBondContact O-N 3.44Å; G125-K159 CarbonylContact O-C 3.54Å; G125-K159 WeakPolarHBondContact O-CA 3.14Å; G125-E160 PolarHBondContact O-N 2.85Å |
| 126 | V | 96.7 | Very high | 96.3 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.2 | 176.4 | -175 | 0 | 0 | 0 | 0 | 108.9 | V122 D123 R124 K157 F158 F173 | V122-V126 PolarHBondContact N-O 3.49Å; D123-V126 HydrophobicContact CB-CB 4.01Å; D123-V126 HydrophobicContact CB-CG2 4.29Å; D123-V126 PolarHBondContact N-O 2.91Å; D123-V126 PolarHBondContact O-N 2.81Å; R124-V126 PolarHBondContact O-N 2.91Å; V126-K157 HydrophobicContact CG1-CB 3.84Å; V126-K157 HydrophobicContact CG1-CG 4.45Å; V126-F158 CarbonylContact C-O 3.58Å; V126-F158 WeakPolarHBondContact CA-O 3.35Å; V126-F173 HydrophobicContact CG1-CD2 4Å; V126-F173 HydrophobicContact CG1-CG 4.46Å; V126-F173 HydrophobicContact CG2-CD2 3.9Å; V126-F173 HydrophobicContact CG2-CE2 4.05Å |
| 127 | I | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 160.7 | -175.4 | 60.8 | 161.2 | 0 | 0 | 0 | 111.2 | I119 S120 T121 L129 K157 F158 E160 Y170 | I119-I127 HydrophobicContact CG2-CB 3.97Å; I119-I127 HydrophobicContact CG2-CD1 3.56Å; I119-I127 HydrophobicContact CG2-CG1 4.38Å; I119-I127 HydrophobicContact CG2-CG2 4.06Å; S120-I127 CarbonylContact O-C 3.5Å; S120-I127 VanDerWaalsContact O-CA 3.22Å; S120-I127 WeakPolarHBondContact O-CA 3.37Å; T121-I127 HydrophobicContact CG2-CG2 3.98Å; I127-L129 HydrophobicContact CD1-CD2 3.6Å; I127-L129 HydrophobicContact CD1-CG 4.14Å; I127-K157 WeakPolarHBondContact O-CA 3.44Å; I127-F158 HydrophobicContact CG1-CB 4.34Å; I127-F158 WeakPolarHBondContact CG1-O 3.27Å; I127-F158 PolarHBondContact N-O 2.75Å; I127-F158 PolarHBondContact O-N 3.18Å; I127-E160 HydrophobicContact CD1-CB 4.15Å; I127-E160 HydrophobicContact CG1-CB 4.25Å; I127-E160 HydrophobicContact CG2-CB 4.43Å; I127-Y170 HydrophobicContact CD1-CD1 3.64Å; I127-Y170 HydrophobicContact CD1-CE1 3.38Å; I127-Y170 HydrophobicContact CG1-CD1 4.46Å |
| 128 | S | 97.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 38 Ų | 38 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 149.8 | 158.8 | 68.1 | 0 | 0 | 0 | 0 | 109.4 | I119 S120 | I119-S128 WeakPolarHBondContact CA-O 3.32Å; S120-S128 PolarHBondContact N-O 3.24Å; S120-S128 VanDerWaalsContact N-O 3.11Å; S120-S128 PolarHBondContact O-N 3.4Å |
| 129 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 116.1 | 176.4 | -62.3 | 175.7 | 0 | 0 | 0 | 107.8 | L87 I117 I119 I127 F137 V138 F158 I180 | L87-L129 HydrophobicContact CD1-CD1 3.97Å; L87-L129 HydrophobicContact CD1-CD2 3.96Å; I117-L129 HydrophobicContact CG2-CB 3.89Å; I117-L129 HydrophobicContact CG2-CD2 3.94Å; I119-L129 HydrophobicContact CB-CD2 4.3Å; I119-L129 HydrophobicContact CD1-CD2 4.3Å; I119-L129 HydrophobicContact CG1-CD2 3.69Å; I119-L129 HydrophobicContact CG2-CD2 4.04Å; I127-L129 HydrophobicContact CD1-CD2 3.6Å; I127-L129 HydrophobicContact CD1-CG 4.14Å; L129-F137 CarbonylContact O-C 3.44Å; L129-F137 WeakPolarHBondContact O-CA 3.22Å; L129-V138 HydrophobicContact CB-CB 3.94Å; L129-V138 HydrophobicContact CB-CG2 3.89Å; L129-V138 PolarHBondContact O-N 3.03Å; L129-F158 HydrophobicContact CD1-CD2 4.33Å; L129-F158 HydrophobicContact CG-CD2 4.47Å; L129-I180 HydrophobicContact CD1-CD1 3.63Å |
| 130 | F | 98.3 | Very high | 96.5 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.5 | -176.5 | -175.8 | -107.9 | 0 | 0 | 0 | 110.9 | I117 E118 V132 Q135 F137 | I117-F130 CarbonylContact C-O 3.6Å; I117-F130 WeakPolarHBondContact CA-O 3.27Å; E118-F130 HydrophobicContact CB-CB 4.28Å; E118-F130 HydrophobicContact CB-CD1 4.48Å; E118-F130 PolarHBondContact N-O 2.73Å; E118-F130 PolarHBondContact O-N 2.89Å; F130-V132 PolarHBondContact O-N 3.19Å; F130-V132 VanDerWaalsContact O-N 3.16Å; F130-Q135 VanDerWaalsContact CZ-CA 3.41Å; F130-Q135 HydrophobicContact CZ-CB 4Å; F130-Q135 VanDerWaalsContact CZ-OE1 3.32Å; F130-F137 HydrophobicContact CB-CD1 4.08Å; F130-F137 HydrophobicContact CB-CE1 4.06Å; F130-F137 AromaticContact CD2-CD1 3.68Å; F130-F137 HydrophobicContact CD2-CD1 3.68Å; F130-F137 HydrophobicContact CD2-CD2 4.05Å; F130-F137 AromaticContact CD2-CE1 3.61Å; F130-F137 HydrophobicContact CD2-CE1 3.61Å; F130-F137 AromaticContact CD2-CE2 3.98Å; F130-F137 HydrophobicContact CD2-CE2 3.98Å; F130-F137 AromaticContact CD2-CG 3.9Å; F130-F137 HydrophobicContact CD2-CG 3.9Å; F130-F137 AromaticContact CD2-CZ 3.76Å; F130-F137 HydrophobicContact CD2-CZ 3.76Å; F130-F137 HydrophobicContact CE2-CD2 4.27Å; F130-F137 HydrophobicContact CE2-CE1 4.41Å; F130-F137 HydrophobicContact CE2-CE2 4.04Å; F130-F137 HydrophobicContact CE2-CZ 4.11Å; F130-F137 HydrophobicContact CG-CD1 4.35Å; F130-F137 HydrophobicContact CG-CE1 4.17Å |
| 131 | G | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 106.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | R133 S134 Q135 L136 | G131-R133 VanDerWaalsContact C-N 3.28Å; G131-R133 PolarHBondContact O-N 2.79Å; G131-S134 PolarHBondContact O-N 3.39Å; G131-S134 PolarHBondContact O-OG 2.89Å; G131-Q135 WeakPolarHBondContact O-CA 3.35Å; G131-Q135 PolarHBondContact O-N 2.97Å; G131-L136 PolarHBondContact N-O 3.44Å |
| 132 | V | 96.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -39.8 | -172.4 | 172.7 | 0 | 0 | 0 | 0 | 112 | F57 V84 L116 E118 F130 Q135 | F57-V132 HydrophobicContact CE1-CG1 4.22Å; F57-V132 HydrophobicContact CZ-CG1 3.63Å; V84-V132 HydrophobicContact CG1-CG2 4.24Å; L116-V132 HydrophobicContact CB-CB 4.2Å; L116-V132 HydrophobicContact CB-CG2 4.31Å; L116-V132 PolarHBondContact O-N 2.76Å; E118-V132 HydrophobicContact CB-CG2 3.98Å; F130-V132 PolarHBondContact O-N 3.19Å; F130-V132 VanDerWaalsContact O-N 3.16Å; V132-Q135 PolarHBondContact O-NE2 3.44Å |
| 133 | R | 97.3 | Very high | 97.2 | Very high | 93 Ų | 93 | 46 Ų | 46 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -34.9 | -176.7 | -59 | -63.2 | -79 | 171.6 | -12 | 113.6 | W53 P113 Y114 G131 | W53-R133 VanDerWaalsContact CZ2-NH1 3.28Å; P113-R133 HydrophobicContact CB-CG 3.64Å; P113-R133 WeakPolarHBondContact O-CG 2.86Å; Y114-R133 HydrophobicContact CD1-CB 3.71Å; Y114-R133 HydrophobicContact CE1-CB 3.96Å; G131-R133 VanDerWaalsContact C-N 3.28Å; G131-R133 PolarHBondContact O-N 2.79Å |
| 134 | S | 97.9 | Very high | 97.5 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 12% | 0.119 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -18.3 | 177.2 | 44.8 | 0 | 0 | 0 | 0 | 112.9 | V99 G131 L136 | V99-S134 WeakPolarHBondContact CG1-OG 3.38Å; V99-S134 VanDerWaalsContact O-CB 3.26Å; V99-S134 WeakPolarHBondContact O-CB 3.29Å; V99-S134 PolarHBondContact O-OG 2.98Å; G131-S134 PolarHBondContact O-N 3.39Å; G131-S134 PolarHBondContact O-OG 2.89Å; S134-L136 PolarHBondContact O-N 3.04Å |
| 135 | Q | 98.2 | Very high | 97.8 | Very high | 113 Ų | 113 | 38.6 Ų | 38.6 | 53% | 0.528 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 36.4 | -173.8 | -60.4 | -72.7 | -45.9 | 0 | 0 | 112.4 | F130 G131 V132 | F130-Q135 VanDerWaalsContact CZ-CA 3.41Å; F130-Q135 HydrophobicContact CZ-CB 4Å; F130-Q135 VanDerWaalsContact CZ-OE1 3.32Å; G131-Q135 WeakPolarHBondContact O-CA 3.35Å; G131-Q135 PolarHBondContact O-N 2.97Å; V132-Q135 PolarHBondContact O-NE2 3.44Å |
| 136 | L | 98.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 12% | 0.12 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.9 | -178.8 | -61.5 | 177.6 | 0 | 0 | 0 | 111 | V99 L100 G131 S134 T149 | V99-L136 HydrophobicContact CG1-CB 3.97Å; L100-L136 WeakPolarHBondContact O-CD1 3.37Å; G131-L136 PolarHBondContact N-O 3.44Å; S134-L136 PolarHBondContact O-N 3.04Å; L136-T149 CarbonylContact C-O 3.56Å |
| 137 | F | 98.8 | Very high | 98.2 | Very high | 38 Ų | 38 | 40 Ų | 40 | 17% | 0.167 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 139.5 | 165.6 | -65.3 | -78.6 | 0 | 0 | 0 | 110.4 | L129 F130 G148 T149 F152 C156 | L129-F137 CarbonylContact O-C 3.44Å; L129-F137 WeakPolarHBondContact O-CA 3.22Å; F130-F137 HydrophobicContact CB-CD1 4.08Å; F130-F137 HydrophobicContact CB-CE1 4.06Å; F130-F137 AromaticContact CD2-CD1 3.68Å; F130-F137 HydrophobicContact CD2-CD1 3.68Å; F130-F137 HydrophobicContact CD2-CD2 4.05Å; F130-F137 AromaticContact CD2-CE1 3.61Å; F130-F137 HydrophobicContact CD2-CE1 3.61Å; F130-F137 AromaticContact CD2-CE2 3.98Å; F130-F137 HydrophobicContact CD2-CE2 3.98Å; F130-F137 AromaticContact CD2-CG 3.9Å; F130-F137 HydrophobicContact CD2-CG 3.9Å; F130-F137 AromaticContact CD2-CZ 3.76Å; F130-F137 HydrophobicContact CD2-CZ 3.76Å; F130-F137 HydrophobicContact CE2-CD2 4.27Å; F130-F137 HydrophobicContact CE2-CE1 4.41Å; F130-F137 HydrophobicContact CE2-CE2 4.04Å; F130-F137 HydrophobicContact CE2-CZ 4.11Å; F130-F137 HydrophobicContact CG-CD1 4.35Å; F130-F137 HydrophobicContact CG-CE1 4.17Å; F137-G148 CarbonylContact O-C 3.5Å; F137-G148 VanDerWaalsContact O-CA 3.28Å; F137-G148 WeakPolarHBondContact O-CA 3.48Å; F137-T149 HydrophobicContact CB-CG2 4.33Å; F137-T149 PolarHBondContact N-O 2.77Å; F137-T149 PolarHBondContact O-N 2.81Å; F137-F152 AromaticContact CD1-CD2 3.88Å; F137-F152 HydrophobicContact CD1-CD2 3.88Å; F137-F152 HydrophobicContact CD1-CE2 4.44Å; F137-F152 HydrophobicContact CD2-CB 4.28Å; F137-F152 HydrophobicContact CD2-CD2 4.38Å; F137-F152 AromaticContact CE1-CD2 3.83Å; F137-F152 HydrophobicContact CE1-CD2 3.83Å; F137-F152 HydrophobicContact CE1-CE2 4.44Å; F137-F152 HydrophobicContact CE2-CB 3.93Å; F137-F152 HydrophobicContact CE2-CD2 4.34Å; F137-F152 HydrophobicContact CG-CD2 4.16Å; F137-F152 HydrophobicContact CZ-CB 4.21Å; F137-F152 HydrophobicContact CZ-CD2 4.07Å; F137-F152 HydrophobicContact CZ-CG 4.46Å; F137-C156 HydrophobicContact CB-CB 4.12Å |
| 138 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 131.5 | 162.1 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | V99 I105 L129 L146 C156 F158 I180 | V99-V138 HydrophobicContact CG2-CG2 3.59Å; I105-V138 HydrophobicContact CD1-CB 4.1Å; I105-V138 HydrophobicContact CD1-CG1 3.72Å; I105-V138 HydrophobicContact CD1-CG2 3.98Å; L129-V138 HydrophobicContact CB-CB 3.94Å; L129-V138 HydrophobicContact CB-CG2 3.89Å; L129-V138 PolarHBondContact O-N 3.03Å; V138-L146 HydrophobicContact CG1-CD2 4.32Å; V138-C156 WeakPolarHBondContact O-CA 3.37Å; V138-F158 HydrophobicContact CB-CE2 4.34Å; V138-F158 HydrophobicContact CG1-CE2 4.06Å; V138-F158 HydrophobicContact CG1-CZ 3.98Å; V138-F158 WeakPolarHBondContact O-CE2 3.19Å; V138-I180 HydrophobicContact CG1-CD1 4.27Å |
| 139 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L146 Y147 T149 E155 | A139-L146 VanDerWaalsContact O-CA 3.29Å; A139-L146 WeakPolarHBondContact O-CA 3.35Å; A139-Y147 HydrophobicContact CB-CD1 4.25Å; A139-Y147 HydrophobicContact CB-CD2 4.36Å; A139-Y147 HydrophobicContact CB-CE1 3.67Å; A139-Y147 HydrophobicContact CB-CE2 3.82Å; A139-Y147 VanDerWaalsContact CB-CZ 3.42Å; A139-Y147 PolarHBondContact N-O 2.91Å; A139-Y147 PolarHBondContact O-N 3.18Å; A139-T149 HydrophobicContact CB-CG2 3.95Å; A139-E155 CarbonylContact C-O 3.6Å; A139-E155 VanDerWaalsContact CA-O 3.25Å; A139-E155 WeakPolarHBondContact CA-O 3.37Å; A139-E155 HydrophobicContact CB-CB 4.33Å |
| 140 | M | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.4 | 175.7 | -170.4 | -177.3 | -66.4 | 0 | 0 | 110.7 | R145 L146 E155 F158 Y175 F178 I180 | M140-R145 WeakPolarHBondContact CA-O 3.01Å; M140-L146 HydrophobicContact CB-CD2 3.84Å; M140-L146 HydrophobicContact CE-CD2 3.47Å; M140-L146 VanDerWaalsContact CE-CD2 3.47Å; M140-L146 HydrophobicContact CE-CG 4.36Å; M140-L146 HydrophobicContact CG-CD2 4.06Å; M140-E155 PolarHBondContact N-O 2.89Å; M140-E155 WeakPolarHBondContact O-CB 3.44Å; M140-F158 HydrophobicContact CB-CE1 4.03Å; M140-F158 HydrophobicContact CB-CZ 4.24Å; M140-F158 HydrophobicContact CE-CE1 4.33Å; M140-Y175 VanDerWaalsContact O-CE2 3.31Å; M140-Y175 WeakPolarHBondContact O-CE2 3.24Å; M140-F178 HydrophobicContact SD-CB 3.53Å; M140-F178 VanDerWaalsContact SD-CB 3.53Å; M140-F178 HydrophobicContact SD-CD2 4.02Å; M140-F178 HydrophobicContact SD-CG 4.32Å; M140-I180 HydrophobicContact CE-CG1 4.21Å |
| 141 | N | 98.3 | Very high | 98.1 | Very high | 39 Ų | 39 | 48.9 Ų | 48.9 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | trans | -87.8 | 173 | 178.3 | 67 | 26.3 | 0 | 0 | 0 | 113.4 | R143 G144 R145 Y147 E155 | N141-R143 PolarHBondContact O-N 2.86Å; N141-R143 WeakPolarHBondContact OD1-CB 3.38Å; N141-R143 PolarHBondContact OD1-N 2.74Å; N141-R143 VanDerWaalsContact OD1-N 3.08Å; N141-G144 WeakPolarHBondContact O-CA 3.41Å; N141-G144 PolarHBondContact O-N 2.85Å; N141-G144 PolarHBondContact OD1-N 2.69Å; N141-R145 PolarHBondContact N-O 3.03Å; N141-R145 VanDerWaalsContact N-O 3.11Å; N141-R145 WeakPolarHBondContact OD1-CB 3.16Å; N141-R145 PolarHBondContact OD1-N 3.29Å; N141-Y147 HydrophobicContact CB-CD1 4.42Å; N141-Y147 HydrophobicContact CB-CE1 3.89Å; N141-E155 WeakPolarHBondContact CA-OE1 3.1Å | ||
| 142 | S | 98.3 | Very high | 98.1 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 52% | 0.517 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -18.6 | 178.4 | 59.8 | 0 | 0 | 0 | 0 | 115.3 | G144 Y175 | S142-G144 VanDerWaalsContact C-N 3.29Å; S142-Y175 VanDerWaalsContact CA-CE1 3.49Å; S142-Y175 WeakPolarHBondContact CB-OH 3.35Å; S142-Y175 VanDerWaalsContact N-CE2 3.29Å; S142-Y175 VanDerWaalsContact N-CZ 3.26Å; S142-Y175 PolarHBondContact N-OH 3.07Å |
| 143 | R | 98.1 | Very high | 98.1 | Very high | 173 Ų | 173 | 58.1 Ų | 58.1 | 65% | 0.653 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 4.3 | 174.6 | -59.3 | -177.2 | -179.2 | -178.5 | 0.3 | 112.6 | N141 R145 | N141-R143 PolarHBondContact O-N 2.86Å; N141-R143 WeakPolarHBondContact OD1-CB 3.38Å; N141-R143 PolarHBondContact OD1-N 2.74Å; N141-R143 VanDerWaalsContact OD1-N 3.08Å; R143-R145 VanDerWaalsContact C-N 3.3Å; R143-R145 HydrophobicContact CB-CG 4.45Å; R143-R145 PolarHBondContact O-N 2.71Å |
| 144 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 69.4 | 22.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N141 S142 R190 G191 | N141-G144 WeakPolarHBondContact O-CA 3.41Å; N141-G144 PolarHBondContact O-N 2.85Å; N141-G144 PolarHBondContact OD1-N 2.69Å; S142-G144 VanDerWaalsContact C-N 3.29Å; G144-R190 CarbonylContact O-C 3.49Å; G144-R190 VanDerWaalsContact O-CA 3.29Å; G144-R190 WeakPolarHBondContact O-CA 3.44Å; G144-G191 PolarHBondContact O-N 3.34Å |
| 145 | R | 98.3 | Very high | 98.1 | Very high | 142 Ų | 142 | 59 Ų | 59 | 54% | 0.536 | 29% | 0.288 | S | S | . | . | trans | -91.7 | 130.8 | 176.8 | -62.9 | 176.3 | 64.6 | 155.8 | -1.1 | 109.4 | M140 N141 R143 | M140-R145 WeakPolarHBondContact CA-O 3.01Å; N141-R145 PolarHBondContact N-O 3.03Å; N141-R145 VanDerWaalsContact N-O 3.11Å; N141-R145 WeakPolarHBondContact OD1-CB 3.16Å; N141-R145 PolarHBondContact OD1-N 3.29Å; R143-R145 VanDerWaalsContact C-N 3.3Å; R143-R145 HydrophobicContact CB-CG 4.45Å; R143-R145 PolarHBondContact O-N 2.71Å | ||
| 146 | L | 98.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 142.4 | 169 | -60.1 | 178.5 | 0 | 0 | 0 | 110.7 | I105 V138 A139 M140 I180 V188 | I105-L146 HydrophobicContact CB-CB 4.25Å; I105-L146 HydrophobicContact CD1-CB 4.06Å; I105-L146 HydrophobicContact CG2-CB 4.36Å; I105-L146 HydrophobicContact CG2-CD1 4.25Å; V138-L146 HydrophobicContact CG1-CD2 4.32Å; A139-L146 VanDerWaalsContact O-CA 3.29Å; A139-L146 WeakPolarHBondContact O-CA 3.35Å; M140-L146 HydrophobicContact CB-CD2 3.84Å; M140-L146 HydrophobicContact CE-CD2 3.47Å; M140-L146 VanDerWaalsContact CE-CD2 3.47Å; M140-L146 HydrophobicContact CE-CG 4.36Å; M140-L146 HydrophobicContact CG-CD2 4.06Å; L146-I180 HydrophobicContact CD1-CB 4.43Å; L146-I180 HydrophobicContact CD1-CG1 4.42Å; L146-I180 HydrophobicContact CD1-CG2 3.84Å; L146-I180 HydrophobicContact CD2-CG1 4.15Å; L146-V188 HydrophobicContact CB-CG1 3.95Å; L146-V188 HydrophobicContact CD1-CG1 3.62Å; L146-V188 HydrophobicContact CD1-CG2 4.22Å; L146-V188 HydrophobicContact CG-CG1 3.8Å |
| 147 | Y | 98.7 | Very high | 98.1 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 157.6 | 174.2 | 66.6 | -78.1 | 0 | 0 | 0 | 110 | I105 A139 N141 T149 E155 | I105-Y147 VanDerWaalsContact CD1-C 3.45Å; I105-Y147 WeakPolarHBondContact CD1-O 3.4Å; A139-Y147 HydrophobicContact CB-CD1 4.25Å; A139-Y147 HydrophobicContact CB-CD2 4.36Å; A139-Y147 HydrophobicContact CB-CE1 3.67Å; A139-Y147 HydrophobicContact CB-CE2 3.82Å; A139-Y147 VanDerWaalsContact CB-CZ 3.42Å; A139-Y147 PolarHBondContact N-O 2.91Å; A139-Y147 PolarHBondContact O-N 3.18Å; N141-Y147 HydrophobicContact CB-CD1 4.42Å; N141-Y147 HydrophobicContact CB-CE1 3.89Å; Y147-T149 HydrophobicContact CE2-CG2 4.16Å; Y147-E155 PolarHBondContact OH-OE2 2.88Å |
| 148 | G | 98.6 | Very high | 98.1 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 141 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G103 F137 | G103-G148 PolarHBondContact O-N 3.39Å; F137-G148 CarbonylContact O-C 3.5Å; F137-G148 VanDerWaalsContact O-CA 3.28Å; F137-G148 WeakPolarHBondContact O-CA 3.48Å |
| 149 | T | 98.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 57.4 Ų | 57.4 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 144.7 | 174.8 | -173 | 0 | 0 | 0 | 0 | 111.8 | L136 F137 A139 Y147 L151 | L136-T149 CarbonylContact C-O 3.56Å; F137-T149 HydrophobicContact CB-CG2 4.33Å; F137-T149 PolarHBondContact N-O 2.77Å; F137-T149 PolarHBondContact O-N 2.81Å; A139-T149 HydrophobicContact CB-CG2 3.95Å; Y147-T149 HydrophobicContact CE2-CG2 4.16Å; T149-L151 VanDerWaalsContact C-N 3.31Å; T149-L151 VanDerWaalsContact CG2-O 3.28Å; T149-L151 WeakPolarHBondContact CG2-O 3.38Å; T149-L151 PolarHBondContact OG1-N 2.97Å |
| 150 | S | 97.2 | Very high | 98 | Very high | 84 Ų | 84 | 59.6 Ų | 59.6 | 59% | 0.587 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -78.5 | -18 | 173.9 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 151 | L | 96.6 | Very high | 98 | Very high | 103 Ų | 103 | 62.1 Ų | 62.1 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -95.5 | 122.9 | -177.4 | -63.1 | 177.6 | 0 | 0 | 0 | 110.4 | T149 K153 | T149-L151 VanDerWaalsContact C-N 3.31Å; T149-L151 VanDerWaalsContact CG2-O 3.28Å; T149-L151 WeakPolarHBondContact CG2-O 3.38Å; T149-L151 PolarHBondContact OG1-N 2.97Å; L151-K153 PolarHBondContact O-N 3.05Å |
| 152 | F | 96.7 | Very high | 98 | Very high | 97 Ų | 97 | 65.8 Ų | 65.8 | 43% | 0.425 | 32% | 0.322 | S | S | . | . | trans | -73.9 | 121.7 | 174.3 | -171.5 | -111.5 | 0 | 0 | 0 | 110.7 | V122 F137 C156 K157 | V122-F152 HydrophobicContact CG1-CZ 4.25Å; V122-F152 HydrophobicContact CG2-CZ 3.95Å; F137-F152 AromaticContact CD1-CD2 3.88Å; F137-F152 HydrophobicContact CD1-CD2 3.88Å; F137-F152 HydrophobicContact CD1-CE2 4.44Å; F137-F152 HydrophobicContact CD2-CB 4.28Å; F137-F152 HydrophobicContact CD2-CD2 4.38Å; F137-F152 AromaticContact CE1-CD2 3.83Å; F137-F152 HydrophobicContact CE1-CD2 3.83Å; F137-F152 HydrophobicContact CE1-CE2 4.44Å; F137-F152 HydrophobicContact CE2-CB 3.93Å; F137-F152 HydrophobicContact CE2-CD2 4.34Å; F137-F152 HydrophobicContact CG-CD2 4.16Å; F137-F152 HydrophobicContact CZ-CB 4.21Å; F137-F152 HydrophobicContact CZ-CD2 4.07Å; F137-F152 HydrophobicContact CZ-CG 4.46Å; F152-C156 HydrophobicContact CD2-CB 3.78Å; F152-C156 HydrophobicContact CE2-CB 3.77Å; F152-K157 HydrophobicContact CZ-CG 4.03Å | ||
| 153 | K | 96.3 | Very high | 97.9 | Very high | 109 Ų | 109 | 63 Ų | 63 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | trans | -136.9 | 172.3 | -179.3 | -61.4 | -177.6 | -176.9 | -177 | 0 | 109.7 | L151 E155 C156 | L151-K153 PolarHBondContact O-N 3.05Å; K153-E155 PolarHBondContact O-N 2.91Å; K153-C156 VanDerWaalsContact O-CB 3.25Å; K153-C156 WeakPolarHBondContact O-CB 3.39Å; K153-C156 PolarHBondContact O-N 3.43Å | ||
| 154 | D | 97.6 | Very high | 97.9 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -61.5 | -28.3 | 176 | -69 | -31.6 | 0 | 0 | 0 | 113.1 | C156 K157 V174 | D154-C156 PolarHBondContact O-N 2.91Å; D154-C156 VanDerWaalsContact O-N 3.16Å; D154-K157 WeakPolarHBondContact O-CB 3.26Å; D154-K157 PolarHBondContact O-N 3.1Å; D154-K157 VanDerWaalsContact OD1-CE 3.29Å; D154-K157 WeakPolarHBondContact OD1-CE 3.34Å; D154-K157 IonicContact OD1-NZ 2.7Å; D154-K157 PolarHBondContact OD1-NZ 3.05Å; D154-V174 HydrophobicContact CB-CG2 3.55Å |
| 155 | E | 98.4 | Very high | 97.8 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -64.4 | -14.3 | 173.1 | -67 | -169.4 | 138.2 | 0 | 0 | 113.6 | A139 M140 N141 Y147 K153 Y175 | A139-E155 CarbonylContact C-O 3.6Å; A139-E155 VanDerWaalsContact CA-O 3.25Å; A139-E155 WeakPolarHBondContact CA-O 3.37Å; A139-E155 HydrophobicContact CB-CB 4.33Å; M140-E155 PolarHBondContact N-O 2.89Å; M140-E155 WeakPolarHBondContact O-CB 3.44Å; N141-E155 WeakPolarHBondContact CA-OE1 3.1Å; Y147-E155 PolarHBondContact OH-OE2 2.88Å; K153-E155 PolarHBondContact O-N 2.91Å; E155-Y175 HydrophobicContact CG-CE2 4.05Å; E155-Y175 VanDerWaalsContact OE1-CE2 3.3Å; E155-Y175 WeakPolarHBondContact OE1-CE2 3.16Å; E155-Y175 PolarHBondContact OE1-OH 3.4Å |
| 156 | C | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -89.5 | -3.4 | 175.4 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | F137 V138 F152 K153 D154 F158 | F137-C156 HydrophobicContact CB-CB 4.12Å; V138-C156 WeakPolarHBondContact O-CA 3.37Å; F152-C156 HydrophobicContact CD2-CB 3.78Å; F152-C156 HydrophobicContact CE2-CB 3.77Å; K153-C156 VanDerWaalsContact O-CB 3.25Å; K153-C156 WeakPolarHBondContact O-CB 3.39Å; K153-C156 PolarHBondContact O-N 3.43Å; D154-C156 PolarHBondContact O-N 2.91Å; D154-C156 VanDerWaalsContact O-N 3.16Å; C156-F158 WeakPolarHBondContact O-CD2 3.42Å; C156-F158 WeakPolarHBondContact O-CE2 3.4Å |
| 157 | K | 98.5 | Very high | 97.6 | Very high | 43 Ų | 43 | 65.2 Ų | 65.2 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 132.3 | -179 | -64.1 | 176 | -176.4 | 169.7 | 0 | 109.8 | V122 V126 I127 F152 D154 F173 | V122-K157 HydrophobicContact CG1-CD 4.28Å; V122-K157 HydrophobicContact CG1-CG 4.41Å; V126-K157 HydrophobicContact CG1-CB 3.84Å; V126-K157 HydrophobicContact CG1-CG 4.45Å; I127-K157 WeakPolarHBondContact O-CA 3.44Å; F152-K157 HydrophobicContact CZ-CG 4.03Å; D154-K157 WeakPolarHBondContact O-CB 3.26Å; D154-K157 PolarHBondContact O-N 3.1Å; D154-K157 VanDerWaalsContact OD1-CE 3.29Å; D154-K157 WeakPolarHBondContact OD1-CE 3.34Å; D154-K157 IonicContact OD1-NZ 2.7Å; D154-K157 PolarHBondContact OD1-NZ 3.05Å; K157-F173 HydrophobicContact CB-CB 3.54Å; K157-F173 HydrophobicContact CB-CD1 4.29Å; K157-F173 HydrophobicContact CB-CG 3.99Å; K157-F173 HydrophobicContact CD-CD1 4.17Å; K157-F173 WeakPolarHBondContact O-CB 3.3Å; K157-F173 PolarHBondContact O-N 3.29Å |
| 158 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.9 | 177.8 | -59.7 | -86.4 | 0 | 0 | 0 | 111.2 | V126 I127 L129 V138 M140 C156 E160 E171 I180 | V126-F158 CarbonylContact C-O 3.58Å; V126-F158 WeakPolarHBondContact CA-O 3.35Å; I127-F158 HydrophobicContact CG1-CB 4.34Å; I127-F158 WeakPolarHBondContact CG1-O 3.27Å; I127-F158 PolarHBondContact N-O 2.75Å; I127-F158 PolarHBondContact O-N 3.18Å; L129-F158 HydrophobicContact CD1-CD2 4.33Å; L129-F158 HydrophobicContact CG-CD2 4.47Å; V138-F158 HydrophobicContact CB-CE2 4.34Å; V138-F158 HydrophobicContact CG1-CE2 4.06Å; V138-F158 HydrophobicContact CG1-CZ 3.98Å; V138-F158 WeakPolarHBondContact O-CE2 3.19Å; M140-F158 HydrophobicContact CB-CE1 4.03Å; M140-F158 HydrophobicContact CB-CZ 4.24Å; M140-F158 HydrophobicContact CE-CE1 4.33Å; C156-F158 WeakPolarHBondContact O-CD2 3.42Å; C156-F158 WeakPolarHBondContact O-CE2 3.4Å; F158-E160 PolarHBondContact O-N 3.21Å; F158-E171 CarbonylContact C-O 3.39Å; F158-E171 WeakPolarHBondContact CA-O 3.28Å; F158-E171 WeakPolarHBondContact CB-O 3.41Å; F158-I180 HydrophobicContact CD1-CD1 3.87Å; F158-I180 HydrophobicContact CD1-CG1 4.02Å; F158-I180 HydrophobicContact CD2-CD1 4.45Å; F158-I180 HydrophobicContact CE1-CD1 3.82Å; F158-I180 HydrophobicContact CE1-CG1 3.87Å; F158-I180 HydrophobicContact CE2-CD1 4.4Å; F158-I180 HydrophobicContact CG-CD1 4.2Å; F158-I180 HydrophobicContact CZ-CD1 4.1Å |
| 159 | K | 98.4 | Very high | 97.6 | Very high | 97 Ų | 97 | 62.9 Ų | 62.9 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 118.7 | 169.3 | -174.6 | -178.4 | 176.8 | -175.7 | 0 | 108.8 | G125 Y170 E171 | G125-K159 CarbonylContact O-C 3.54Å; G125-K159 WeakPolarHBondContact O-CA 3.14Å; K159-Y170 WeakPolarHBondContact O-CA 3.43Å; K159-E171 HydrophobicContact CB-CB 4.3Å; K159-E171 PolarHBondContact N-O 3.01Å; K159-E171 PolarHBondContact O-N 2.78Å |
| 160 | E | 97.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 21% | 0.21 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126.1 | 173.7 | -179.8 | 170.4 | -127.3 | 0 | 0 | 109.3 | R83 G125 I127 F158 N168 Y170 | R83-E160 IonicContact CZ-OE1 3.72Å; R83-E160 IonicContact CZ-OE2 3.85Å; R83-E160 IonicContact NH1-OE1 3.91Å; R83-E160 IonicContact NH2-OE1 2.69Å; R83-E160 PolarHBondContact NH2-OE1 3.03Å; R83-E160 IonicContact NH2-OE2 2.71Å; R83-E160 PolarHBondContact NH2-OE2 2.88Å; G125-E160 PolarHBondContact O-N 2.85Å; I127-E160 HydrophobicContact CD1-CB 4.15Å; I127-E160 HydrophobicContact CG1-CB 4.25Å; I127-E160 HydrophobicContact CG2-CB 4.43Å; F158-E160 PolarHBondContact O-N 3.21Å; E160-N168 HydrophobicContact CG-CB 4.24Å; E160-N168 PolarHBondContact OE1-ND2 3.08Å; E160-Y170 HydrophobicContact CB-CD1 4.05Å; E160-Y170 HydrophobicContact CB-CE1 3.84Å; E160-Y170 HydrophobicContact CG-CD1 4.18Å; E160-Y170 HydrophobicContact CG-CE1 3.56Å; E160-Y170 WeakPolarHBondContact OE1-CE1 3.3Å; E160-Y170 PolarHBondContact OE1-OH 2.81Å |
| 161 | T | 97.9 | Very high | 97.7 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 110 | N168 A169 | T161-N168 CarbonylContact O-C 3.58Å; T161-N168 WeakPolarHBondContact O-CA 3.47Å; T161-A169 PolarHBondContact N-O 3.22Å; T161-A169 PolarHBondContact O-N 3.2Å |
| 162 | L | 97.9 | Very high | 97.8 | Very high | 115 Ų | 115 | 53.9 Ų | 53.9 | 60% | 0.602 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.3 | 170.7 | -174.9 | 66.9 | 0 | 0 | 0 | 109.2 | N168 | L162-N168 VanDerWaalsContact CD1-OD1 3.28Å; L162-N168 WeakPolarHBondContact CD1-OD1 3.16Å |
| 163 | L | 97.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | trans | -89.5 | 161.6 | 179 | -59.7 | 178.7 | 0 | 0 | 0 | 111.1 | N165 N166 Y167 A169 T196 H202 | L163-N165 VanDerWaalsContact CB-OD1 3.3Å; L163-N165 WeakPolarHBondContact CB-OD1 3.43Å; L163-N165 PolarHBondContact O-N 2.97Å; L163-N166 PolarHBondContact O-N 3.03Å; L163-Y167 VanDerWaalsContact CB-O 3.25Å; L163-Y167 WeakPolarHBondContact CB-O 3.35Å; L163-Y167 WeakPolarHBondContact CG-O 3.41Å; L163-Y167 PolarHBondContact N-O 2.78Å; L163-A169 HydrophobicContact CD1-CB 4.05Å; L163-A169 HydrophobicContact CD2-CB 4Å; L163-A169 HydrophobicContact CG-CB 4.12Å; L163-T196 HydrophobicContact CD2-CG2 4.11Å; L163-H202 WeakPolarHBondContact CD1-CD2 3.44Å; L163-H202 WeakPolarHBondContact CD1-NE2 3.47Å | ||
| 164 | P | 96.9 | Very high | 98 | Very high | 137 Ų | 137 | 50.6 Ų | 50.6 | 89% | 0.89 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.5 | 179.5 | -26.5 | 35.6 | 0 | 0 | 0 | 115.3 | N166 | P164-N166 VanDerWaalsContact C-N 3.35Š|
| 165 | N | 95.3 | Very high | 98 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 13.5 | 177.4 | 67.6 | -12 | 0 | 0 | 0 | 113.5 | L163 Y167 H202 | L163-N165 VanDerWaalsContact CB-OD1 3.3Å; L163-N165 WeakPolarHBondContact CB-OD1 3.43Å; L163-N165 PolarHBondContact O-N 2.97Å; N165-Y167 HydrophobicContact CB-CD2 4.48Å; N165-Y167 WeakPolarHBondContact O-CD2 3.01Å; N165-Y167 PolarHBondContact O-N 2.93Å; N165-Y167 PolarHBondContact OD1-N 3.3Å; N165-H202 PolarHBondContact ND2-CE1 2.9Å; N165-H202 PolarHBondContact ND2-ND1 3.37Å |
| 166 | N | 95.9 | Very high | 97.9 | Very high | 121 Ų | 121 | 53 Ų | 53 | 65% | 0.647 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 65.1 | 17.9 | -178.9 | -57.1 | -17.5 | 0 | 0 | 0 | 115.3 | L163 P164 | L163-N166 PolarHBondContact O-N 3.03Å; P164-N166 VanDerWaalsContact C-N 3.35Å |
| 167 | Y | 98.3 | Very high | 97.9 | Very high | 50 Ų | 50 | 54.7 Ų | 54.7 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | trans | -95.6 | 159.3 | 165.8 | -74.3 | -108.1 | 0 | 0 | 0 | 110.1 | N90 L163 N165 H202 L204 | N90-Y167 HydrophobicContact CB-CE1 4.3Å; L163-Y167 VanDerWaalsContact CB-O 3.25Å; L163-Y167 WeakPolarHBondContact CB-O 3.35Å; L163-Y167 WeakPolarHBondContact CG-O 3.41Å; L163-Y167 PolarHBondContact N-O 2.78Å; N165-Y167 HydrophobicContact CB-CD2 4.48Å; N165-Y167 WeakPolarHBondContact O-CD2 3.01Å; N165-Y167 PolarHBondContact O-N 2.93Å; N165-Y167 PolarHBondContact OD1-N 3.3Å; Y167-H202 HydrophobicContact CD1-CB 3.86Å; Y167-H202 HydrophobicContact CG-CB 3.9Å; Y167-L204 HydrophobicContact CD1-CB 3.9Å; Y167-L204 HydrophobicContact CE1-CB 3.73Å | ||
| 168 | N | 98.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145.4 | 172.1 | -66.4 | -15.1 | 0 | 0 | 0 | 110.7 | E160 T161 L162 Y170 F203 | E160-N168 HydrophobicContact CG-CB 4.24Å; E160-N168 PolarHBondContact OE1-ND2 3.08Å; T161-N168 CarbonylContact O-C 3.58Å; T161-N168 WeakPolarHBondContact O-CA 3.47Å; L162-N168 VanDerWaalsContact CD1-OD1 3.28Å; L162-N168 WeakPolarHBondContact CD1-OD1 3.16Å; N168-Y170 HydrophobicContact CB-CE1 4.5Å; N168-Y170 HydrophobicContact CB-CE2 4.34Å; N168-F203 PolarHBondContact N-O 2.85Å; N168-F203 PolarHBondContact O-N 3.3Å |
| 169 | A | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T161 L163 Y179 T196 | T161-A169 PolarHBondContact N-O 3.22Å; T161-A169 PolarHBondContact O-N 3.2Å; L163-A169 HydrophobicContact CD1-CB 4.05Å; L163-A169 HydrophobicContact CD2-CB 4Å; L163-A169 HydrophobicContact CG-CB 4.12Å; A169-Y179 HydrophobicContact CB-CD1 4.21Å; A169-Y179 HydrophobicContact CB-CE1 4.39Å; A169-T196 HydrophobicContact CB-CG2 4.06Å |
| 170 | Y | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 105.7 | -179.1 | -60.1 | -69.8 | 0 | 0 | 0 | 109.8 | L87 I127 K159 E160 N168 Y179 I180 F203 | L87-Y170 HydrophobicContact CD1-CD2 4.45Å; L87-Y170 HydrophobicContact CD1-CE2 3.86Å; L87-Y170 HydrophobicContact CD2-CE2 3.99Å; L87-Y170 WeakPolarHBondContact CD2-OH 3.25Å; L87-Y170 HydrophobicContact CG-CE2 4.5Å; I127-Y170 HydrophobicContact CD1-CD1 3.64Å; I127-Y170 HydrophobicContact CD1-CE1 3.38Å; I127-Y170 HydrophobicContact CG1-CD1 4.46Å; K159-Y170 WeakPolarHBondContact O-CA 3.43Å; E160-Y170 HydrophobicContact CB-CD1 4.05Å; E160-Y170 HydrophobicContact CB-CE1 3.84Å; E160-Y170 HydrophobicContact CG-CD1 4.18Å; E160-Y170 HydrophobicContact CG-CE1 3.56Å; E160-Y170 WeakPolarHBondContact OE1-CE1 3.3Å; E160-Y170 PolarHBondContact OE1-OH 2.81Å; N168-Y170 HydrophobicContact CB-CE1 4.5Å; N168-Y170 HydrophobicContact CB-CE2 4.34Å; Y170-Y179 WeakPolarHBondContact O-CA 3.23Å; Y170-I180 HydrophobicContact CG-CD1 4.38Å; Y170-I180 PolarHBondContact O-N 2.76Å; Y170-F203 HydrophobicContact CD2-CB 4.3Å; Y170-F203 AromaticContact CD2-CD2 3.98Å; Y170-F203 HydrophobicContact CD2-CD2 3.98Å; Y170-F203 HydrophobicContact CD2-CG 4.31Å; Y170-F203 HydrophobicContact CE2-CB 3.73Å; Y170-F203 HydrophobicContact CE2-CD2 4.27Å; Y170-F203 HydrophobicContact CE2-CG 4.16Å |
| 171 | E | 98.8 | Very high | 98 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139.1 | 178.9 | -167.9 | -170.5 | 173.9 | 0 | 0 | 110.1 | F158 K159 F173 K176 G177 F178 Y179 | F158-E171 CarbonylContact C-O 3.39Å; F158-E171 WeakPolarHBondContact CA-O 3.28Å; F158-E171 WeakPolarHBondContact CB-O 3.41Å; K159-E171 HydrophobicContact CB-CB 4.3Å; K159-E171 PolarHBondContact N-O 3.01Å; K159-E171 PolarHBondContact O-N 2.78Å; E171-F173 PolarHBondContact O-N 2.98Å; E171-K176 WeakPolarHBondContact OE1-CA 3.3Å; E171-G177 PolarHBondContact OE1-N 3.07Å; E171-F178 CarbonylContact C-O 3.5Å; E171-F178 WeakPolarHBondContact CA-O 3.33Å; E171-Y179 HydrophobicContact CB-CD1 3.89Å; E171-Y179 HydrophobicContact CB-CE1 3.55Å; E171-Y179 HydrophobicContact CG-CD1 4.28Å; E171-Y179 HydrophobicContact CG-CE1 3.8Å; E171-Y179 HydrophobicContact CG-CE2 4.43Å |
| 172 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 132.9 | 172 | 178 | 0 | 0 | 0 | 0 | 110.6 | V174 Y175 F178 | S172-V174 PolarHBondContact OG-N 2.76Å; S172-Y175 WeakPolarHBondContact CB-O 3.43Å; S172-Y175 PolarHBondContact OG-N 2.92Å; S172-Y175 VanDerWaalsContact OG-N 3.15Å; S172-F178 PolarHBondContact N-O 2.85Å |
| 173 | F | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 43 Ų | 43 | 32% | 0.32 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -66.2 | -40.2 | 176.7 | -178.3 | -101.4 | 0 | 0 | 0 | 111.9 | V126 K157 E171 K176 | V126-F173 HydrophobicContact CG1-CD2 4Å; V126-F173 HydrophobicContact CG1-CG 4.46Å; V126-F173 HydrophobicContact CG2-CD2 3.9Å; V126-F173 HydrophobicContact CG2-CE2 4.05Å; K157-F173 HydrophobicContact CB-CB 3.54Å; K157-F173 HydrophobicContact CB-CD1 4.29Å; K157-F173 HydrophobicContact CB-CG 3.99Å; K157-F173 HydrophobicContact CD-CD1 4.17Å; K157-F173 WeakPolarHBondContact O-CB 3.3Å; K157-F173 PolarHBondContact O-N 3.29Å; E171-F173 PolarHBondContact O-N 2.98Å; F173-K176 VanDerWaalsContact O-CE 3.31Å; F173-K176 WeakPolarHBondContact O-CE 3.2Å; F173-K176 PolarHBondContact O-NZ 2.89Å |
| 174 | V | 98.2 | Very high | 98 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 38% | 0.382 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -80.2 | -46.8 | -178.9 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | D154 S172 | D154-V174 HydrophobicContact CB-CG2 3.55Å; S172-V174 PolarHBondContact OG-N 2.76Å |
| 175 | Y | 98.4 | Very high | 98 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -102.8 | 86.2 | -174.4 | -51.3 | -68.2 | 0 | 0 | 0 | 110.7 | M140 S142 E155 S172 F178 | M140-Y175 VanDerWaalsContact O-CE2 3.31Å; M140-Y175 WeakPolarHBondContact O-CE2 3.24Å; S142-Y175 VanDerWaalsContact CA-CE1 3.49Å; S142-Y175 WeakPolarHBondContact CB-OH 3.35Å; S142-Y175 VanDerWaalsContact N-CE2 3.29Å; S142-Y175 VanDerWaalsContact N-CZ 3.26Å; S142-Y175 PolarHBondContact N-OH 3.07Å; E155-Y175 HydrophobicContact CG-CE2 4.05Å; E155-Y175 VanDerWaalsContact OE1-CE2 3.3Å; E155-Y175 WeakPolarHBondContact OE1-CE2 3.16Å; E155-Y175 PolarHBondContact OE1-OH 3.4Å; S172-Y175 WeakPolarHBondContact CB-O 3.43Å; S172-Y175 PolarHBondContact OG-N 2.92Å; S172-Y175 VanDerWaalsContact OG-N 3.15Å; Y175-F178 HydrophobicContact CG-CD2 4.27Å; Y175-F178 HydrophobicContact CG-CE2 4.36Å; Y175-F178 VanDerWaalsContact O-CB 3.29Å; Y175-F178 WeakPolarHBondContact O-CB 3.38Å; Y175-F178 PolarHBondContact O-N 3.3Å; Y175-F178 VanDerWaalsContact O-N 3.09Å |
| 176 | K | 97.5 | Very high | 98 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 54% | 0.539 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 140.4 | -177.8 | -57.5 | -52.6 | -171.1 | -165.8 | 0 | 112 | E171 F173 F178 | E171-K176 WeakPolarHBondContact OE1-CA 3.3Å; F173-K176 VanDerWaalsContact O-CE 3.31Å; F173-K176 WeakPolarHBondContact O-CE 3.2Å; F173-K176 PolarHBondContact O-NZ 2.89Å; K176-F178 PolarHBondContact O-N 2.82Å |
| 177 | G | 97.8 | Very high | 98.1 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 1.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E171 Y179 | E171-G177 PolarHBondContact OE1-N 3.07Å; G177-Y179 VanDerWaalsContact O-CD2 3.26Å; G177-Y179 WeakPolarHBondContact O-CD2 3.4Å; G177-Y179 WeakPolarHBondContact O-CE2 3.43Å |
| 178 | F | 98.6 | Very high | 98.1 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 18% | 0.184 | 23% | 0.228 | C | C | . | . | trans | -96.4 | 124.2 | 175.7 | -69.1 | 20.8 | 0 | 0 | 0 | 110 | M140 E171 S172 Y175 K176 G191 N192 | M140-F178 HydrophobicContact SD-CB 3.53Å; M140-F178 VanDerWaalsContact SD-CB 3.53Å; M140-F178 HydrophobicContact SD-CD2 4.02Å; M140-F178 HydrophobicContact SD-CG 4.32Å; E171-F178 CarbonylContact C-O 3.5Å; E171-F178 WeakPolarHBondContact CA-O 3.33Å; S172-F178 PolarHBondContact N-O 2.85Å; Y175-F178 HydrophobicContact CG-CD2 4.27Å; Y175-F178 HydrophobicContact CG-CE2 4.36Å; Y175-F178 VanDerWaalsContact O-CB 3.29Å; Y175-F178 WeakPolarHBondContact O-CB 3.38Å; Y175-F178 PolarHBondContact O-N 3.3Å; Y175-F178 VanDerWaalsContact O-N 3.09Å; K176-F178 PolarHBondContact O-N 2.82Å; F178-G191 WeakPolarHBondContact CA-O 3.33Å; F178-N192 HydrophobicContact CD1-CB 3.86Å; F178-N192 HydrophobicContact CD2-CB 4.18Å; F178-N192 HydrophobicContact CE1-CB 3.46Å; F178-N192 VanDerWaalsContact CE1-CB 3.46Å; F178-N192 HydrophobicContact CE2-CB 3.81Å; F178-N192 HydrophobicContact CG-CB 4.22Å; F178-N192 HydrophobicContact CZ-CB 3.45Å; F178-N192 VanDerWaalsContact CZ-CB 3.45Å | ||
| 179 | Y | 98.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 144.6 | -174.5 | -65.3 | -89.7 | 0 | 0 | 0 | 112.8 | A169 Y170 E171 G177 G181 G191 A194 T196 | A169-Y179 HydrophobicContact CB-CD1 4.21Å; A169-Y179 HydrophobicContact CB-CE1 4.39Å; Y170-Y179 WeakPolarHBondContact O-CA 3.23Å; E171-Y179 HydrophobicContact CB-CD1 3.89Å; E171-Y179 HydrophobicContact CB-CE1 3.55Å; E171-Y179 HydrophobicContact CG-CD1 4.28Å; E171-Y179 HydrophobicContact CG-CE1 3.8Å; E171-Y179 HydrophobicContact CG-CE2 4.43Å; G177-Y179 VanDerWaalsContact O-CD2 3.26Å; G177-Y179 WeakPolarHBondContact O-CD2 3.4Å; G177-Y179 WeakPolarHBondContact O-CE2 3.43Å; Y179-G181 PolarHBondContact O-N 3.19Å; Y179-G191 PolarHBondContact N-O 2.9Å; Y179-G191 WeakPolarHBondContact O-CA 3.4Å; Y179-A194 VanDerWaalsContact CD2-O 3.27Å; Y179-A194 WeakPolarHBondContact CD2-O 3.35Å; Y179-T196 HydrophobicContact CD1-CG2 4.07Å; Y179-T196 HydrophobicContact CE1-CG2 3.46Å; Y179-T196 VanDerWaalsContact CE1-CG2 3.46Å; Y179-T196 HydrophobicContact CE2-CG2 4.25Å |
| 180 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -60.2 | 135.2 | 163.8 | -59.9 | -172.4 | 0 | 0 | 0 | 107.5 | L97 L129 V138 M140 L146 F158 Y170 F203 | L97-I180 HydrophobicContact CD2-CG2 4.4Å; L129-I180 HydrophobicContact CD1-CD1 3.63Å; V138-I180 HydrophobicContact CG1-CD1 4.27Å; M140-I180 HydrophobicContact CE-CG1 4.21Å; L146-I180 HydrophobicContact CD1-CB 4.43Å; L146-I180 HydrophobicContact CD1-CG1 4.42Å; L146-I180 HydrophobicContact CD1-CG2 3.84Å; L146-I180 HydrophobicContact CD2-CG1 4.15Å; F158-I180 HydrophobicContact CD1-CD1 3.87Å; F158-I180 HydrophobicContact CD1-CG1 4.02Å; F158-I180 HydrophobicContact CD2-CD1 4.45Å; F158-I180 HydrophobicContact CE1-CD1 3.82Å; F158-I180 HydrophobicContact CE1-CG1 3.87Å; F158-I180 HydrophobicContact CE2-CD1 4.4Å; F158-I180 HydrophobicContact CG-CD1 4.2Å; F158-I180 HydrophobicContact CZ-CD1 4.1Å; Y170-I180 HydrophobicContact CG-CD1 4.38Å; Y170-I180 PolarHBondContact O-N 2.76Å; I180-F203 HydrophobicContact CB-CE2 4.29Å; I180-F203 HydrophobicContact CG2-CE2 3.79Å; I180-F203 HydrophobicContact CG2-CZ 3.75Å | ||
| 181 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -159.4 | 149 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y179 K189 V200 | Y179-G181 PolarHBondContact O-N 3.19Å; G181-K189 PolarHBondContact O-N 3.27Å; G181-V200 CarbonylContact C-O 3.59Å; G181-V200 WeakPolarHBondContact CA-O 3.32Å | ||
| 182 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 133 | 176.7 | -65.9 | 178.5 | 0 | 0 | 0 | 110.1 | C89 F95 L97 V188 V200 F203 | C89-L182 HydrophobicContact CB-CB 4.42Å; C89-L182 HydrophobicContact CB-CD1 4.12Å; F95-L182 HydrophobicContact CB-CD1 3.95Å; L97-L182 HydrophobicContact CD1-CD1 4.37Å; L97-L182 HydrophobicContact CD1-CD2 4.08Å; L97-L182 HydrophobicContact CD1-CG 4.4Å; L182-V188 HydrophobicContact CD2-CG2 4Å; L182-V200 PolarHBondContact N-O 2.98Å; L182-V200 WeakPolarHBondContact O-CB 3.24Å; L182-V200 WeakPolarHBondContact O-CG1 3.36Å; L182-F203 HydrophobicContact CD1-CE1 3.89Å; L182-F203 HydrophobicContact CD1-CZ 4.34Å; L182-F203 HydrophobicContact CG-CE1 4.11Å; L182-F203 HydrophobicContact CG-CZ 4.03Å |
| 183 | S | 97.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 65 Ų | 65 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | trans | -71.8 | 166.2 | 172.2 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | H185 G186 R187 | S183-H185 PolarHBondContact O-N 2.76Å; S183-G186 PolarHBondContact O-N 2.88Å; S183-R187 WeakPolarHBondContact CB-O 2.96Å; S183-R187 PolarHBondContact N-O 3.39Å; S183-R187 WeakPolarHBondContact OG-CB 3.44Å; S183-R187 PolarHBondContact OG-N 3.41Å; S183-R187 VanDerWaalsContact OG-N 3.1Å; S183-R187 PolarHBondContact OG-O 2.6Å | ||
| 184 | K | 97.3 | Very high | 97.8 | Very high | 137 Ų | 137 | 61.5 Ų | 61.5 | 60% | 0.596 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -11.6 | 173 | 69.8 | -179.6 | -175.4 | 178.1 | 0 | 115.3 | F95 | F95-K184 WeakPolarHBondContact CE2-O 3.28Š|
| 185 | H | 97.3 | Very high | 97.7 | Very high | 131 Ų | 131 | 61.7 Ų | 61.7 | 61% | 0.606 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 14.8 | 177.8 | -55.7 | -64.6 | 0 | 0 | 0 | 112.7 | S183 R187 | S183-H185 PolarHBondContact O-N 2.76Å; H185-R187 PolarHBondContact O-N 3.32Å |
| 186 | G | 96.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 72.4 | 5.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F95 G107 S183 | F95-G186 VanDerWaalsContact CZ-N 3.34Å; G107-G186 WeakPolarHBondContact CA-O 3.36Å; G107-G186 PolarHBondContact N-O 3.29Å; S183-G186 PolarHBondContact O-N 2.88Å |
| 187 | R | 97.8 | Very high | 97.6 | Very high | 184 Ų | 184 | 60.1 Ų | 60.1 | 69% | 0.694 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 139.9 | 174.6 | -59.4 | -178.7 | 178.1 | 177.6 | -1.1 | 110.5 | S183 H185 K189 | S183-R187 WeakPolarHBondContact CB-O 2.96Å; S183-R187 PolarHBondContact N-O 3.39Å; S183-R187 WeakPolarHBondContact OG-CB 3.44Å; S183-R187 PolarHBondContact OG-N 3.41Å; S183-R187 VanDerWaalsContact OG-N 3.1Å; S183-R187 PolarHBondContact OG-O 2.6Å; H185-R187 PolarHBondContact O-N 3.32Å; R187-K189 PolarHBondContact O-N 3.17Å |
| 188 | V | 98 | Very high | 97.6 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -60.3 | 133.1 | 172.7 | 172 | 0 | 0 | 0 | 0 | 110.7 | I105 L146 L182 | I105-V188 HydrophobicContact CB-CG2 4.29Å; I105-V188 HydrophobicContact CG2-CG2 3.92Å; I105-V188 WeakPolarHBondContact O-CG2 3.43Å; L146-V188 HydrophobicContact CB-CG1 3.95Å; L146-V188 HydrophobicContact CD1-CG1 3.62Å; L146-V188 HydrophobicContact CD1-CG2 4.22Å; L146-V188 HydrophobicContact CG-CG1 3.8Å; L182-V188 HydrophobicContact CD2-CG2 4Å |
| 189 | K | 97.6 | Very high | 97.5 | Very high | 63 Ų | 63 | 63.5 Ų | 63.5 | 27% | 0.274 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 148.2 | 171.6 | -162.9 | 177.3 | 176.1 | 91.5 | 0 | 109.2 | G181 R187 G191 K193 A194 M198 V200 | G181-K189 PolarHBondContact O-N 3.27Å; R187-K189 PolarHBondContact O-N 3.17Å; K189-G191 PolarHBondContact O-N 3.21Å; K189-K193 WeakPolarHBondContact CE-O 3.47Å; K189-A194 HydrophobicContact CD-CB 4.07Å; K189-M198 HydrophobicContact CD-CE 4.48Å; K189-V200 HydrophobicContact CD-CG2 3.78Å |
| 190 | R | 98.3 | Very high | 97.5 | Very high | 127 Ų | 127 | 62.7 Ų | 62.7 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 132 | 172.5 | -62.8 | -168.9 | -177.6 | -158.7 | 3.6 | 109.5 | G144 N192 K193 A194 | G144-R190 CarbonylContact O-C 3.49Å; G144-R190 VanDerWaalsContact O-CA 3.29Å; G144-R190 WeakPolarHBondContact O-CA 3.44Å; R190-N192 VanDerWaalsContact C-N 3.27Å; R190-N192 VanDerWaalsContact CB-OD1 3.27Å; R190-N192 WeakPolarHBondContact CB-OD1 3.22Å; R190-N192 PolarHBondContact O-N 2.8Å; R190-K193 HydrophobicContact CB-CG 4.4Å; R190-K193 WeakPolarHBondContact O-CA 3.39Å; R190-K193 PolarHBondContact O-N 2.9Å; R190-A194 PolarHBondContact O-N 2.98Å |
| 191 | G | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -60.2 | -36.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G144 F178 Y179 K189 K193 A194 | G144-G191 PolarHBondContact O-N 3.34Å; F178-G191 WeakPolarHBondContact CA-O 3.33Å; Y179-G191 PolarHBondContact N-O 2.9Å; Y179-G191 WeakPolarHBondContact O-CA 3.4Å; K189-G191 PolarHBondContact O-N 3.21Å; G191-K193 PolarHBondContact O-N 3.44Å; G191-K193 VanDerWaalsContact O-N 3.1Å; G191-A194 PolarHBondContact O-N 3.07Å; G191-A194 VanDerWaalsContact O-N 3.12Å |
| 192 | N | 97.7 | Very high | 97.5 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 43% | 0.428 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -68.3 | -6 | 175.1 | 74 | -33.6 | 0 | 0 | 0 | 114.9 | F178 R190 | F178-N192 HydrophobicContact CD1-CB 3.86Å; F178-N192 HydrophobicContact CD2-CB 4.18Å; F178-N192 HydrophobicContact CE1-CB 3.46Å; F178-N192 VanDerWaalsContact CE1-CB 3.46Å; F178-N192 HydrophobicContact CE2-CB 3.81Å; F178-N192 HydrophobicContact CG-CB 4.22Å; F178-N192 HydrophobicContact CZ-CB 3.45Å; F178-N192 VanDerWaalsContact CZ-CB 3.45Å; R190-N192 VanDerWaalsContact C-N 3.27Å; R190-N192 VanDerWaalsContact CB-OD1 3.27Å; R190-N192 WeakPolarHBondContact CB-OD1 3.22Å; R190-N192 PolarHBondContact O-N 2.8Å |
| 193 | K | 97.5 | Very high | 97.5 | Very high | 134 Ų | 134 | 63.6 Ų | 63.6 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -114.3 | 5.1 | 176.4 | -61.4 | -170.1 | 177.4 | -167.4 | 0 | 112.4 | K189 R190 G191 | K189-K193 WeakPolarHBondContact CE-O 3.47Å; R190-K193 HydrophobicContact CB-CG 4.4Å; R190-K193 WeakPolarHBondContact O-CA 3.39Å; R190-K193 PolarHBondContact O-N 2.9Å; G191-K193 PolarHBondContact O-N 3.44Å; G191-K193 VanDerWaalsContact O-N 3.1Å |
| 194 | A | 96.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -114 | 132 | -176.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | Y179 K189 R190 G191 T201 | Y179-A194 VanDerWaalsContact CD2-O 3.27Å; Y179-A194 WeakPolarHBondContact CD2-O 3.35Å; K189-A194 HydrophobicContact CD-CB 4.07Å; R190-A194 PolarHBondContact O-N 2.98Å; G191-A194 PolarHBondContact O-N 3.07Å; G191-A194 VanDerWaalsContact O-N 3.12Å; A194-T201 HydrophobicContact CB-CG2 3.6Å | ||
| 195 | T | 96.8 | Very high | 97.5 | Very high | 68 Ų | 68 | 60.3 Ų | 60.3 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | trans | -130.3 | 159.4 | 178.4 | 68.9 | 0 | 0 | 0 | 0 | 109.8 | A197 M198 T201 | T195-A197 PolarHBondContact O-N 3.49Å; T195-M198 WeakPolarHBondContact O-CB 3.49Å; T195-M198 PolarHBondContact O-N 3.02Å; T195-M198 WeakPolarHBondContact OG1-CG 3.44Å; T195-T201 WeakPolarHBondContact O-CG2 3.47Å; T195-T201 PolarHBondContact O-OG1 3.26Å | ||
| 196 | T | 96.5 | Very high | 97.3 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.7 | 179.1 | 52 | 0 | 0 | 0 | 0 | 113.7 | L163 A169 Y179 M198 H202 | L163-T196 HydrophobicContact CD2-CG2 4.11Å; A169-T196 HydrophobicContact CB-CG2 4.06Å; Y179-T196 HydrophobicContact CD1-CG2 4.07Å; Y179-T196 HydrophobicContact CE1-CG2 3.46Å; Y179-T196 VanDerWaalsContact CE1-CG2 3.46Å; Y179-T196 HydrophobicContact CE2-CG2 4.25Å; T196-M198 PolarHBondContact O-N 2.7Å; T196-H202 PolarHBondContact O-NE2 3.19Å |
| 197 | A | 96.2 | Very high | 96.8 | Very high | 90 Ų | 90 | 65.5 Ų | 65.5 | 74% | 0.744 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T195 | T195-A197 PolarHBondContact O-N 3.49Š|
| 198 | M | 97.4 | Very high | 96.7 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 31% | 0.305 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -94.6 | 128.3 | -178.7 | -50.6 | 176.3 | 72.3 | 0 | 0 | 111.1 | K189 T195 T196 V200 T201 H202 | K189-M198 HydrophobicContact CD-CE 4.48Å; T195-M198 WeakPolarHBondContact O-CB 3.49Å; T195-M198 PolarHBondContact O-N 3.02Å; T195-M198 WeakPolarHBondContact OG1-CG 3.44Å; T196-M198 PolarHBondContact O-N 2.7Å; M198-V200 HydrophobicContact CB-CG2 3.65Å; M198-V200 HydrophobicContact CE-CG2 4Å; M198-V200 PolarHBondContact O-N 3.23Å; M198-V200 HydrophobicContact SD-CG2 4.29Å; M198-T201 PolarHBondContact O-N 3Å; M198-T201 PolarHBondContact O-OG1 3.06Å; M198-H202 PolarHBondContact O-CD2 3.22Å; M198-H202 PolarHBondContact O-NE2 3.25Å |
| 199 | T | 97.3 | Very high | 96.7 | Very high | 85 Ų | 85 | 60.4 Ų | 60.4 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -59.1 | -21.7 | 177.5 | 56 | 0 | 0 | 0 | 0 | 114.1 | T201 H202 | T199-T201 PolarHBondContact O-N 3.48Å; T199-T201 VanDerWaalsContact O-N 3.07Å; T199-H202 WeakPolarHBondContact O-CB 3.31Å; T199-H202 PolarHBondContact O-N 3.43Å |
| 200 | V | 98 | Very high | 96.6 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 13% | 0.127 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -59.7 | -15.4 | 173.3 | -56.8 | 0 | 0 | 0 | 0 | 114.2 | V91 G181 L182 K189 M198 | V91-V200 HydrophobicContact CG1-CG1 4.2Å; G181-V200 CarbonylContact C-O 3.59Å; G181-V200 WeakPolarHBondContact CA-O 3.32Å; L182-V200 PolarHBondContact N-O 2.98Å; L182-V200 WeakPolarHBondContact O-CB 3.24Å; L182-V200 WeakPolarHBondContact O-CG1 3.36Å; K189-V200 HydrophobicContact CD-CG2 3.78Å; M198-V200 HydrophobicContact CB-CG2 3.65Å; M198-V200 HydrophobicContact CE-CG2 4Å; M198-V200 PolarHBondContact O-N 3.23Å; M198-V200 HydrophobicContact SD-CG2 4.29Å |
| 201 | T | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -102 | -2.4 | 177.9 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | A194 T195 M198 T199 F203 | A194-T201 HydrophobicContact CB-CG2 3.6Å; T195-T201 WeakPolarHBondContact O-CG2 3.47Å; T195-T201 PolarHBondContact O-OG1 3.26Å; M198-T201 PolarHBondContact O-N 3Å; M198-T201 PolarHBondContact O-OG1 3.06Å; T199-T201 PolarHBondContact O-N 3.48Å; T199-T201 VanDerWaalsContact O-N 3.07Å; T201-F203 VanDerWaalsContact O-CD2 3.27Å; T201-F203 WeakPolarHBondContact O-CD2 3.27Å |
| 202 | H | 98.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | trans | -91.6 | 119.5 | -173.5 | -61 | -178.7 | 0 | 0 | 0 | 109.1 | C89 L163 N165 Y167 T196 M198 T199 | C89-H202 WeakPolarHBondContact CA-O 3.46Å; C89-H202 PolarHBondContact SG-O 3.31Å; L163-H202 WeakPolarHBondContact CD1-CD2 3.44Å; L163-H202 WeakPolarHBondContact CD1-NE2 3.47Å; N165-H202 PolarHBondContact ND2-CE1 2.9Å; N165-H202 PolarHBondContact ND2-ND1 3.37Å; Y167-H202 HydrophobicContact CD1-CB 3.86Å; Y167-H202 HydrophobicContact CG-CB 3.9Å; T196-H202 PolarHBondContact O-NE2 3.19Å; M198-H202 PolarHBondContact O-CD2 3.22Å; M198-H202 PolarHBondContact O-NE2 3.25Å; T199-H202 WeakPolarHBondContact O-CB 3.31Å; T199-H202 PolarHBondContact O-N 3.43Å | ||
| 203 | F | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -122.8 | 134 | 179.8 | -68.2 | -91 | 0 | 0 | 0 | 111.1 | L87 Y88 C89 L97 N168 Y170 I180 L182 T201 | L87-F203 HydrophobicContact CB-CB 4.47Å; L87-F203 HydrophobicContact CB-CD1 3.94Å; Y88-F203 CarbonylContact O-C 3.56Å; Y88-F203 VanDerWaalsContact O-CA 3.3Å; Y88-F203 WeakPolarHBondContact O-CA 3.35Å; C89-F203 HydrophobicContact CB-CD1 3.78Å; C89-F203 HydrophobicContact CB-CE1 3.61Å; C89-F203 HydrophobicContact CB-CZ 4.18Å; L97-F203 HydrophobicContact CB-CE1 4.43Å; N168-F203 PolarHBondContact N-O 2.85Å; N168-F203 PolarHBondContact O-N 3.3Å; Y170-F203 HydrophobicContact CD2-CB 4.3Å; Y170-F203 AromaticContact CD2-CD2 3.98Å; Y170-F203 HydrophobicContact CD2-CD2 3.98Å; Y170-F203 HydrophobicContact CD2-CG 4.31Å; Y170-F203 HydrophobicContact CE2-CB 3.73Å; Y170-F203 HydrophobicContact CE2-CD2 4.27Å; Y170-F203 HydrophobicContact CE2-CG 4.16Å; I180-F203 HydrophobicContact CB-CE2 4.29Å; I180-F203 HydrophobicContact CG2-CE2 3.79Å; I180-F203 HydrophobicContact CG2-CZ 3.75Å; L182-F203 HydrophobicContact CD1-CE1 3.89Å; L182-F203 HydrophobicContact CD1-CZ 4.34Å; L182-F203 HydrophobicContact CG-CE1 4.11Å; L182-F203 HydrophobicContact CG-CZ 4.03Å; T201-F203 VanDerWaalsContact O-CD2 3.27Å; T201-F203 WeakPolarHBondContact O-CD2 3.27Å |
| 204 | L | 98 | Very high | 96.3 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 34% | 0.335 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115.7 | 173 | -178.5 | 65.4 | 0 | 0 | 0 | 108.6 | Y88 Y167 R206 | Y88-L204 PolarHBondContact N-O 2.7Å; Y88-L204 PolarHBondContact O-N 3.11Å; Y167-L204 HydrophobicContact CD1-CB 3.9Å; Y167-L204 HydrophobicContact CE1-CB 3.73Å; L204-R206 HydrophobicContact CD2-CG 4.27Å; L204-R206 HydrophobicContact CG-CG 4.23Å; L204-R206 PolarHBondContact O-N 3.12Å |
| 205 | P | 96.8 | Very high | 96.3 | Very high | 33 Ų | 33 | 57.2 Ų | 57.2 | 21% | 0.214 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 117.7 | 171.1 | -18.8 | 32.3 | 0 | 0 | 0 | 110.6 | R85 L87 | R85-P205 HydrophobicContact CB-CB 4.22Å; R85-P205 HydrophobicContact CG-CB 4.22Å; L87-P205 HydrophobicContact CD2-CB 4.29Å; L87-P205 HydrophobicContact CD2-CG 4.19Å |
| 206 | R | 94.7 | Very high | 96.2 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 151.5 | 178 | -63.7 | 178.9 | 65.4 | -176.1 | -4.5 | 110.7 | R85 R86 L204 | R85-R206 CarbonylContact C-O 3.54Å; R85-R206 WeakPolarHBondContact CA-O 3.4Å; R85-R206 VanDerWaalsContact CB-O 3.3Å; R85-R206 WeakPolarHBondContact CB-O 3.48Å; R85-R206 VanDerWaalsContact CD-O 3.24Å; R85-R206 WeakPolarHBondContact CD-O 3.46Å; R86-R206 PolarHBondContact N-O 2.98Å; R86-R206 PolarHBondContact O-N 2.85Å; L204-R206 HydrophobicContact CD2-CG 4.27Å; L204-R206 HydrophobicContact CG-CG 4.23Å; L204-R206 PolarHBondContact O-N 3.12Å |
| 207 | L | 84.6 | Confident | 96.2 | Very high | 147 Ų | 147 | 56.2 Ų | 56.2 | 77% | 0.77 | 32% | 0.316 | S | S | * | . | trans | -71.9 | 0 | 166 | -74.9 | 168.3 | 0 | 0 | 0 | 108.9 | R85 R86 | R85-L207 VanDerWaalsContact NH1-CD2 3.26Å; R86-L207 PolarHBondContact NH1-OXT 3.27Å |
Retrieved 207 of 207 residues in 120.5 ms
(Link to these results)