| 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 | 37.3 | Very low | 38.9 | Very low | 242 Ų | 242 | 159.9 Ų | 159.9 | 100% | 1.192 | 84% | 0.842 | S | S | * | * | 0 | 93.5 | 0 | -57.8 | -166.7 | -169.7 | 0 | 0 | 106.2 | |||||
| 2 | A | 40 | Very low | 38.4 | Very low | 103 Ų | 103 | 165.1 Ų | 165.1 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | 56.6 | 132.9 | 92 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 3 | A | 44 | Very low | 37.8 | Very low | 82 Ų | 82 | 158.4 Ų | 158.4 | 68% | 0.678 | 84% | 0.839 | S | S | * | * | cis | -179.5 | 158.7 | -13.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 4 | L | 43.8 | Very low | 37.3 | Very low | 152 Ų | 152 | 162.6 Ų | 162.6 | 80% | 0.796 | 85% | 0.846 | S | S | * | * | trans | 72.6 | 132.2 | 149.7 | -74.5 | 158 | 0 | 0 | 0 | 117.1 | ||||
| 5 | L | 43.5 | Very low | 36.9 | Very low | 155 Ų | 155 | 157.9 Ų | 157.9 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | cis | -154.4 | 151.7 | 26.8 | -103.3 | 150.3 | 0 | 0 | 0 | 112.8 | ||||
| 6 | R | 40.8 | Very low | 36.5 | Very low | 220 Ų | 220 | 153.9 Ų | 153.9 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | trans | -69.6 | 151.4 | 174.1 | -57 | 169.1 | -177.5 | 175.8 | 2 | 111.9 | ||||
| 7 | V | 35.5 | Very low | 36.1 | Very low | 143 Ų | 143 | 160.1 Ų | 160.1 | 87% | 0.867 | 85% | 0.845 | S | S | * | * | -143.2 | 119.6 | 129.9 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 8 | V | 42.4 | Very low | 35.7 | Very low | 113 Ų | 113 | 160.4 Ų | 160.4 | 69% | 0.685 | 84% | 0.841 | S | S | * | * | trans | -112.7 | 134.5 | 171.1 | 165.6 | 0 | 0 | 0 | 0 | 106.3 | R10 | V8-R10 HydrophobicContact CG1-CB 4.04Š| ||
| 9 | P | 36.3 | Very low | 36 | Very low | 129 Ų | 129 | 164.2 Ų | 164.2 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | trans | -100.6 | 105.1 | 155.6 | 18.4 | -0.7 | 0 | 0 | 0 | 108.7 | ||||
| 10 | R | 35.3 | Very low | 36.4 | Very low | 207 Ų | 207 | 161.3 Ų | 161.3 | 78% | 0.781 | 84% | 0.835 | S | S | * | * | trans | -101.2 | 110.9 | 164.8 | -165.1 | -177.4 | -162.8 | 177.4 | 5.9 | 105.4 | V8 | V8-R10 HydrophobicContact CG1-CB 4.04Š| ||
| 11 | F | 28.9 | Very low | 36.5 | Very low | 213 Ų | 213 | 161.1 Ų | 161.1 | 93% | 0.934 | 84% | 0.835 | S | S | * | * | trans | -121.7 | 106.8 | 161.6 | -128.5 | -95 | 0 | 0 | 0 | 109.4 | ||||
| 12 | R | 33 | Very low | 36.3 | Very low | 222 Ų | 222 | 158.8 Ų | 158.8 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -92.8 | 129.5 | 173.5 | 180 | -176.3 | -177.3 | -179.2 | 0.9 | 106.3 | ||||
| 13 | G | 30 | Very low | 35.7 | Very low | 78 Ų | 78 | 157 Ų | 157 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -169.1 | 89.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 14 | K | 31.3 | Very low | 35.2 | Very low | 217 Ų | 217 | 160.6 Ų | 160.6 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | trans | -88.4 | 123.9 | 164.9 | -130.8 | -170.1 | -176.9 | -172.5 | 0 | 106.8 | ||||
| 15 | A | 30.9 | Very low | 34.5 | Very low | 92 Ų | 92 | 164.8 Ų | 164.8 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -169.1 | 105.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 16 | A | 31.6 | Very low | 33.9 | Very low | 94 Ų | 94 | 161.8 Ų | 161.8 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | 60 | 86.2 | 96.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E18 | A16-E18 PolarHBondContact O-N 2.9Š| |||
| 17 | W | 29.1 | Very low | 33.7 | Very low | 259 Ų | 259 | 157.5 Ų | 157.5 | 98% | 0.981 | 82% | 0.819 | S | S | * | * | trans | -91.8 | 82.2 | 170 | -155.2 | 55.1 | 0 | 0 | 0 | 108.4 | ||||
| 18 | E | 28.4 | Very low | 33.4 | Very low | 166 Ų | 166 | 156.1 Ų | 156.1 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -73 | 133 | 164.9 | -75.3 | -87.2 | 102.8 | 0 | 0 | 108.6 | A16 | A16-E18 PolarHBondContact O-N 2.9Š| ||
| 19 | R | 42.1 | Very low | 32.8 | Very low | 232 Ų | 232 | 154.4 Ų | 154.4 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | -59.3 | 149.3 | 153.6 | -69.6 | -177.1 | -84.9 | -160.7 | -5.8 | 107.8 | ||||
| 20 | P | 44.4 | Very low | 32.5 | Very low | 106 Ų | 106 | 156.1 Ų | 156.1 | 69% | 0.688 | 82% | 0.817 | S | S | * | * | -155.6 | 156 | 102.4 | 30.8 | -8.6 | 0 | 0 | 0 | 117.8 | |||||
| 21 | L | 37.9 | Very low | 32.5 | Very low | 158 Ų | 158 | 153.6 Ų | 153.6 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | 74.6 | 118.6 | 144.4 | -61.8 | 158.8 | 0 | 0 | 0 | 119.5 | ||||
| 22 | H | 32.3 | Very low | 32.7 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | 56.3 | 116.4 | 68.2 | -107.8 | -97.4 | 0 | 0 | 0 | 114 | |||||
| 23 | G | 28.9 | Very low | 33.7 | Very low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | 148.3 | 88.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 24 | L | 32.7 | Very low | 34 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | 74.9 | 99.3 | 100.7 | -157.1 | 95.1 | 0 | 0 | 0 | 112.2 | |||||
| 25 | W | 29.5 | Very low | 34.2 | Very low | 240 Ų | 240 | 148.4 Ų | 148.4 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -147.3 | 106.5 | 141.6 | -154.7 | -92.1 | 0 | 0 | 0 | 110.8 | ||||
| 26 | C | 31.4 | Very low | 34 | Very low | 93 Ų | 93 | 153.5 Ų | 153.5 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | trans | -72.7 | 160.6 | 171.1 | -74.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 27 | C | 35.7 | Very low | 34 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -3.5 | 129.5 | 154.2 | -52.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 28 | S | 30.1 | Very low | 34 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -146.6 | 128 | 138.5 | 50.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 29 | G | 29.6 | Very low | 34 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -97.2 | 175.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 30 | Q | 30.5 | Very low | 33.6 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 105.8 | 98.9 | 156.6 | -155.5 | 152.8 | 46.2 | 0 | 0 | 118.6 | ||||
| 31 | E | 33.7 | Very low | 33.3 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | 52.7 | 138.6 | 124.2 | -57.5 | 168.8 | 169.4 | 0 | 0 | 118.6 | |||||
| 32 | D | 33.8 | Very low | 33.3 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | cis | 179.9 | -163.6 | 18.8 | -123.6 | -37.9 | 0 | 0 | 0 | 106.8 | ||||
| 33 | P | 53 | Low | 33 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 60% | 0.597 | 77% | 0.772 | S | S | * | * | -127.7 | -170.3 | -70.9 | 30.2 | -7.4 | 0 | 0 | 0 | 114.8 | |||||
| 34 | K | 36.5 | Very low | 33.2 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 105.1 | 106.4 | 151.8 | -47 | -145.1 | -176.3 | -173.4 | 0 | 117.3 | ||||
| 35 | R | 35.6 | Very low | 33 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 106.9 | 115.6 | 93 | -157.3 | -171.1 | -161.5 | 178.5 | 8.2 | 110.3 | |||||
| 36 | W | 28.2 | Very low | 33 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | -166.7 | 127.2 | 71.6 | -93 | 84.3 | 0 | 0 | 0 | 107.7 | |||||
| 37 | V | 31.6 | Very low | 33.1 | Very low | 119 Ų | 119 | 143 Ų | 143 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | 68.2 | 121.3 | 79 | 177.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 38 | G | 27.4 | Very low | 33 | Very low | 69 Ų | 69 | 142.1 Ų | 142.1 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 161.7 | 62.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 39 | S | 28.3 | Very low | 33.2 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | 71.3 | 88.4 | 102.5 | -58.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 40 | R | 34.5 | Very low | 33.2 | Very low | 242 Ų | 242 | 143.5 Ų | 143.5 | 91% | 0.913 | 75% | 0.751 | S | S | * | * | 65.4 | 124.4 | 104.6 | -116.4 | -172.3 | -90.5 | -157.5 | -4.5 | 114.1 | |||||
| 41 | S | 37.1 | Very low | 33.3 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -152.5 | 163.1 | 70 | 46.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 42 | P | 39.4 | Very low | 33.4 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | trans | -114.2 | 148.2 | -161.1 | 37.2 | -22.4 | 0 | 0 | 0 | 114.1 | ||||
| 43 | T | 26.3 | Very low | 33.5 | Very low | 152 Ų | 152 | 143 Ų | 143 | 93% | 0.933 | 75% | 0.754 | S | S | * | * | trans | -135.5 | 116.6 | 152.1 | -38.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 44 | S | 32.6 | Very low | 33.1 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 133.6 | -176.3 | 169.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 45 | K | 29.1 | Very low | 33.4 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -172.1 | 128.5 | 135.7 | -64.9 | -49.3 | 173.1 | 164.7 | 0 | 105.1 | ||||
| 46 | E | 28.5 | Very low | 34.2 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | cis | -164 | 130 | -3.9 | 178.6 | 160.5 | 89.7 | 0 | 0 | 103.2 | ||||
| 47 | K | 33.7 | Very low | 35.4 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 130.7 | -175.2 | 175.8 | 178.2 | -172.4 | -176.1 | 0 | 108.5 | ||
| 48 | P | 33.8 | Very low | 36.3 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -88 | 153.9 | 149.5 | 33.4 | -26.1 | 0 | 0 | 0 | 110.1 | ||
| 49 | P | 33 | Very low | 37.7 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 163.4 | -149.7 | 36.4 | -33 | 0 | 0 | 0 | 113.1 | ||
| 50 | N | 29.9 | Very low | 39.1 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | trans | 72 | 83.5 | 161.3 | -135.8 | 26.4 | 0 | 0 | 0 | 118.3 | E52 | N50-E52 PolarHBondContact ND2-OE2 2.84Å; N50-E52 PolarHBondContact O-N 3.11Å; N50-E52 VanDerWaalsContact O-N 3.11Å; N50-E52 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 51 | Q | 33.4 | Very low | 40.2 | Very low | 189 Ų | 189 | 117.5 Ų | 117.5 | 88% | 0.883 | 60% | 0.604 | S | S | * | * | trans | -79.8 | 62.5 | 160.1 | -68.7 | -176 | -48.5 | 0 | 0 | 110.1 | ||||
| 52 | E | 35.7 | Very low | 41.2 | Very low | 132 Ų | 132 | 112.4 Ų | 112.4 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -99.9 | 91.3 | 165.8 | -75.8 | -178.5 | 160.7 | 0 | 0 | 107.2 | N50 E54 | N50-E52 PolarHBondContact ND2-OE2 2.84Å; N50-E52 PolarHBondContact O-N 3.11Å; N50-E52 VanDerWaalsContact O-N 3.11Å; N50-E52 WeakPolarHBondContact OD1-CG 3.4Å; E52-E54 VanDerWaalsContact C-N 3.32Å; E52-E54 PolarHBondContact O-N 2.82Å |
| 53 | T | 36.8 | Very low | 41.9 | Very low | 129 Ų | 129 | 111.5 Ų | 111.5 | 79% | 0.791 | 56% | 0.557 | S | S | * | * | trans | 36.4 | 56.8 | 159 | 48.7 | 0 | 0 | 0 | 0 | 114.7 | K55 | T53-K55 VanDerWaalsContact C-N 3.32Å; T53-K55 PolarHBondContact O-N 2.91Å | ||
| 54 | E | 43.2 | Very low | 43.3 | Very low | 97 Ų | 97 | 105.1 Ų | 105.1 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | trans | -63.8 | 101.7 | 171.2 | -73.4 | -168.2 | 133.2 | 0 | 0 | 106.8 | E52 F56 N134 | E52-E54 VanDerWaalsContact C-N 3.32Å; E52-E54 PolarHBondContact O-N 2.82Å; E54-F56 VanDerWaalsContact C-N 3.25Å; E54-F56 HydrophobicContact CB-CE1 4.49Å; E54-F56 HydrophobicContact CB-CE2 3.95Å; E54-F56 HydrophobicContact CB-CZ 3.91Å; E54-F56 WeakPolarHBondContact O-CD2 3.37Å; E54-F56 WeakPolarHBondContact O-CE2 3.08Å; E54-F56 PolarHBondContact O-N 2.77Å; E54-N134 PolarHBondContact OE1-ND2 3.19Å; E54-N134 PolarHBondContact OE2-ND2 3.05Å | ||
| 55 | K | 44 | Very low | 44.7 | Very low | 134 Ų | 134 | 102.1 Ų | 102.1 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | trans | -66.6 | 91.1 | 175.1 | -84.7 | 175.7 | 179 | 172.4 | 0 | 106.9 | T53 W57 E135 | T53-K55 VanDerWaalsContact C-N 3.32Å; T53-K55 PolarHBondContact O-N 2.91Å; K55-W57 VanDerWaalsContact O-CD1 3.3Å; K55-W57 PolarHBondContact O-N 3.34Å; K55-E135 HydrophobicContact CB-CG 4.44Å; K55-E135 VanDerWaalsContact CB-OE1 3.26Å; K55-E135 WeakPolarHBondContact CB-OE1 3.42Å; K55-E135 WeakPolarHBondContact O-CG 3.26Å | ||
| 56 | F | 51.5 | Low | 46.2 | Very low | 84 Ų | 84 | 95.1 Ų | 95.1 | 37% | 0.368 | 48% | 0.479 | S | S | . | . | trans | -66 | 109.3 | 172.1 | -65.3 | -76.8 | 0 | 0 | 0 | 108.5 | E54 M58 N134 | E54-F56 VanDerWaalsContact C-N 3.25Å; E54-F56 HydrophobicContact CB-CE1 4.49Å; E54-F56 HydrophobicContact CB-CE2 3.95Å; E54-F56 HydrophobicContact CB-CZ 3.91Å; E54-F56 WeakPolarHBondContact O-CD2 3.37Å; E54-F56 WeakPolarHBondContact O-CE2 3.08Å; E54-F56 PolarHBondContact O-N 2.77Å; F56-M58 PolarHBondContact O-N 3.37Å; F56-N134 HydrophobicContact CD1-CB 4.44Å; F56-N134 HydrophobicContact CE1-CB 4.26Å | ||
| 57 | W | 53.2 | Low | 47.8 | Very low | 149 Ų | 149 | 92.3 Ų | 92.3 | 56% | 0.564 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 120.6 | 175.1 | -78.9 | 89.5 | 0 | 0 | 0 | 109.5 | K55 F59 L133 E135 | K55-W57 VanDerWaalsContact O-CD1 3.3Å; K55-W57 PolarHBondContact O-N 3.34Å; W57-F59 PolarHBondContact O-N 2.85Å; W57-L133 PolarHBondContact N-O 3.27Å; W57-L133 PolarHBondContact O-N 3.07Å; W57-E135 VanDerWaalsContact CD1-OE1 3.26Å; W57-E135 PolarHBondContact NE1-OE1 2.69Å |
| 58 | M | 51.8 | Low | 49.4 | Very low | 73 Ų | 73 | 88 Ų | 88 | 36% | 0.36 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 97.4 | 168.5 | -94.4 | -173.4 | 168 | 0 | 0 | 108.3 | F56 I130 Y132 | F56-M58 PolarHBondContact O-N 3.37Å; M58-I130 HydrophobicContact CE-CG2 4.06Å; M58-Y132 HydrophobicContact CE-CD1 4.4Å; M58-Y132 HydrophobicContact CE-CE1 3.31Å; M58-Y132 VanDerWaalsContact CE-CZ 3.45Å; M58-Y132 WeakPolarHBondContact CE-OH 3.35Å; M58-Y132 HydrophobicContact CG-CD1 3.56Å; M58-Y132 HydrophobicContact CG-CE1 3.36Å; M58-Y132 HydrophobicContact SD-CE1 4.13Å |
| 59 | F | 55.7 | Low | 51 | Low | 14 Ų | 14 | 83.1 Ų | 83.1 | 6% | 0.061 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -24.6 | -178.8 | -169.7 | -113.4 | 0 | 0 | 0 | 112.6 | W57 L133 D198 R201 F202 | W57-F59 PolarHBondContact O-N 2.85Å; F59-L133 HydrophobicContact CB-CD1 4.02Å; F59-L133 HydrophobicContact CD1-CD1 3.82Å; F59-L133 HydrophobicContact CG-CD1 4.08Å; F59-D198 HydrophobicContact CD2-CB 4.08Å; F59-D198 HydrophobicContact CE2-CB 3.61Å; F59-D198 WeakPolarHBondContact CE2-O 3.4Å; F59-D198 WeakPolarHBondContact CZ-O 2.78Å; F59-R201 HydrophobicContact CD2-CB 4.4Å; F59-R201 HydrophobicContact CE2-CB 3.63Å; F59-R201 HydrophobicContact CZ-CB 3.94Å; F59-F202 HydrophobicContact CD1-CD2 4.3Å; F59-F202 HydrophobicContact CE1-CB 3.38Å; F59-F202 AromaticContact CE1-CD2 3.47Å; F59-F202 HydrophobicContact CE1-CD2 3.47Å; F59-F202 VanDerWaalsContact CE1-CD2 3.47Å; F59-F202 AromaticContact CE1-CG 3.86Å; F59-F202 HydrophobicContact CE1-CG 3.86Å; F59-F202 HydrophobicContact CZ-CB 3.37Å; F59-F202 HydrophobicContact CZ-CD2 4.29Å; F59-F202 HydrophobicContact CZ-CG 4.32Å |
| 60 | Y | 58.3 | Low | 52.6 | Low | 6 Ų | 6 | 84.1 Ų | 84.1 | 2% | 0.024 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 123.5 | -174.2 | 177.8 | -92.8 | 0 | 0 | 0 | 111.3 | F62 L131 V189 T190 G194 | Y60-F62 HydrophobicContact CE1-CB 3.83Å; Y60-F62 VanDerWaalsContact OH-CD2 3.28Å; Y60-F62 WeakPolarHBondContact OH-CD2 2.84Å; Y60-L131 HydrophobicContact CD1-CB 4.25Å; Y60-L131 PolarHBondContact O-N 2.92Å; Y60-V189 HydrophobicContact CE1-CG1 4.06Å; Y60-T190 PolarHBondContact OH-O 2.7Å; Y60-G194 VanDerWaalsContact CE2-CA 3.5Å |
| 61 | R | 56.6 | Low | 54.7 | Low | 125 Ų | 125 | 83.1 Ų | 83.1 | 47% | 0.472 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 115.6 | 175.1 | -176.2 | 174.3 | 157.3 | -171.5 | -11.2 | 109.3 | D63 H195 | R61-D63 IonicContact CZ-OD1 3.65Å; R61-D63 IonicContact CZ-OD2 3.16Å; R61-D63 IonicContact NE-OD1 3.39Å; R61-D63 PolarHBondContact NE-OD1 3Å; R61-D63 IonicContact NE-OD2 2.76Å; R61-D63 PolarHBondContact NE-OD2 3.23Å; R61-D63 IonicContact NH2-OD1 2.73Å; R61-D63 PolarHBondContact NH2-OD1 3.36Å; R61-D63 IonicContact NH2-OD2 3.49Å; R61-D63 PolarHBondContact NH2-OD2 2.92Å; R61-D63 PolarHBondContact O-N 3.49Å; R61-H195 PolarHBondContact O-N 3.02Å |
| 62 | F | 59.3 | Low | 56.4 | Low | 10 Ų | 10 | 74.5 Ų | 74.5 | 4% | 0.044 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 93.2 | 171.5 | -168.6 | -106.9 | 0 | 0 | 0 | 109.3 | Y60 A64 I65 G129 T190 Y193 | Y60-F62 HydrophobicContact CE1-CB 3.83Å; Y60-F62 VanDerWaalsContact OH-CD2 3.28Å; Y60-F62 WeakPolarHBondContact OH-CD2 2.84Å; F62-A64 HydrophobicContact CD1-CB 3.88Å; F62-A64 HydrophobicContact CE1-CB 3.32Å; F62-A64 HydrophobicContact CE2-CB 4.25Å; F62-A64 HydrophobicContact CZ-CB 3.53Å; F62-A64 PolarHBondContact O-N 3.15Å; F62-I65 HydrophobicContact CD1-CB 4.22Å; F62-I65 WeakPolarHBondContact O-CB 3.19Å; F62-I65 WeakPolarHBondContact O-CG2 3.38Å; F62-I65 PolarHBondContact O-N 3.12Å; F62-G129 WeakPolarHBondContact CB-O 3.38Å; F62-G129 PolarHBondContact N-O 3.48Å; F62-T190 WeakPolarHBondContact CE2-O 3.44Å; F62-T190 WeakPolarHBondContact CE2-OG1 3.26Å; F62-T190 WeakPolarHBondContact CZ-OG1 3.38Å; F62-Y193 VanDerWaalsContact CE2-CB 3.49Å; F62-Y193 HydrophobicContact CE2-CD2 4.35Å; F62-Y193 HydrophobicContact CE2-CG 4.4Å; F62-Y193 HydrophobicContact CZ-CD2 4.47Å |
| 63 | D | 53.6 | Low | 58.3 | Low | 86 Ų | 86 | 74.6 Ų | 74.6 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.1 | -178.3 | -89.7 | -41.9 | 0 | 0 | 0 | 113.6 | R61 I65 G66 | R61-D63 IonicContact CZ-OD1 3.65Å; R61-D63 IonicContact CZ-OD2 3.16Å; R61-D63 IonicContact NE-OD1 3.39Å; R61-D63 PolarHBondContact NE-OD1 3Å; R61-D63 IonicContact NE-OD2 2.76Å; R61-D63 PolarHBondContact NE-OD2 3.23Å; R61-D63 IonicContact NH2-OD1 2.73Å; R61-D63 PolarHBondContact NH2-OD1 3.36Å; R61-D63 IonicContact NH2-OD2 3.49Å; R61-D63 PolarHBondContact NH2-OD2 2.92Å; R61-D63 PolarHBondContact O-N 3.49Å; D63-I65 PolarHBondContact O-N 3.36Å; D63-I65 VanDerWaalsContact O-N 3.1Å; D63-G66 PolarHBondContact O-N 3.3Å; D63-G66 VanDerWaalsContact O-N 3.12Å |
| 64 | A | 55.8 | Low | 60.2 | Low | 19 Ų | 19 | 72.7 Ų | 72.7 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.3 | -15.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F62 G66 I67 F68 | F62-A64 HydrophobicContact CD1-CB 3.88Å; F62-A64 HydrophobicContact CE1-CB 3.32Å; F62-A64 HydrophobicContact CE2-CB 4.25Å; F62-A64 HydrophobicContact CZ-CB 3.53Å; F62-A64 PolarHBondContact O-N 3.15Å; A64-G66 PolarHBondContact O-N 3.33Å; A64-I67 PolarHBondContact O-N 3.01Å; A64-F68 HydrophobicContact CB-CD2 4.43Å; A64-F68 HydrophobicContact CB-CE2 4.32Å; A64-F68 WeakPolarHBondContact O-CD2 3.09Å; A64-F68 PolarHBondContact O-N 3.01Å; A64-F68 VanDerWaalsContact O-N 3.13Å |
| 65 | I | 62.2 | Low | 61.8 | Low | 32 Ų | 32 | 72.2 Ų | 72.2 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -30.8 | 173.5 | -159.4 | 167.1 | 0 | 0 | 0 | 112.6 | F62 D63 G69 L145 | F62-I65 HydrophobicContact CD1-CB 4.22Å; F62-I65 WeakPolarHBondContact O-CB 3.19Å; F62-I65 WeakPolarHBondContact O-CG2 3.38Å; F62-I65 PolarHBondContact O-N 3.12Å; D63-I65 PolarHBondContact O-N 3.36Å; D63-I65 VanDerWaalsContact O-N 3.1Å; I65-G69 PolarHBondContact O-N 3.36Å; I65-L145 HydrophobicContact CD1-CB 3.86Å; I65-L145 HydrophobicContact CD1-CD1 3.99Å; I65-L145 HydrophobicContact CD1-CG 4.32Å; I65-L145 HydrophobicContact CG1-CB 4.25Å; I65-L145 HydrophobicContact CG1-CD1 3.98Å; I65-L145 HydrophobicContact CG1-CD2 3.99Å; I65-L145 HydrophobicContact CG1-CG 4.29Å |
| 66 | G | 59.6 | Low | 63.5 | Low | 48 Ų | 48 | 67.4 Ų | 67.4 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D63 A64 G69 F70 | D63-G66 PolarHBondContact O-N 3.3Å; D63-G66 VanDerWaalsContact O-N 3.12Å; A64-G66 PolarHBondContact O-N 3.33Å; G66-G69 PolarHBondContact O-N 2.7Å; G66-F70 PolarHBondContact O-N 3.3Å |
| 67 | I | 63.4 | Low | 64.9 | Low | 116 Ų | 116 | 66.2 Ų | 66.2 | 60% | 0.595 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 178.5 | -59 | 172.4 | 0 | 0 | 0 | 110.3 | A64 F70 L71 | A64-I67 PolarHBondContact O-N 3.01Å; I67-F70 PolarHBondContact O-N 3.14Å; I67-L71 HydrophobicContact CG2-CD1 4.08Å; I67-L71 WeakPolarHBondContact O-CG 2.9Å; I67-L71 PolarHBondContact O-N 3.3Å |
| 68 | F | 66.4 | Low | 66.2 | Low | 75 Ų | 75 | 65.3 Ų | 65.3 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.5 | -76.4 | -62.8 | 0 | 0 | 0 | 112.7 | A64 F70 L71 S72 F124 | A64-F68 HydrophobicContact CB-CD2 4.43Å; A64-F68 HydrophobicContact CB-CE2 4.32Å; A64-F68 WeakPolarHBondContact O-CD2 3.09Å; A64-F68 PolarHBondContact O-N 3.01Å; A64-F68 VanDerWaalsContact O-N 3.13Å; F68-F70 VanDerWaalsContact C-N 3.32Å; F68-F70 PolarHBondContact O-N 3.44Å; F68-L71 HydrophobicContact CD1-CD1 4.39Å; F68-L71 PolarHBondContact O-N 2.85Å; F68-S72 WeakPolarHBondContact O-CB 3.4Å; F68-S72 PolarHBondContact O-N 3.5Å; F68-F124 HydrophobicContact CB-CD1 4.48Å; F68-F124 HydrophobicContact CB-CE1 3.99Å; F68-F124 AromaticContact CD1-CE1 3.52Å; F68-F124 HydrophobicContact CD1-CE1 3.52Å; F68-F124 HydrophobicContact CD1-CZ 4.14Å; F68-F124 HydrophobicContact CE1-CE1 4.31Å; F68-F124 HydrophobicContact CG-CE1 4.04Å |
| 69 | G | 67.7 | Low | 67.6 | Low | 9 Ų | 9 | 63.2 Ų | 63.2 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I65 G66 S72 R73 | I65-G69 PolarHBondContact O-N 3.36Å; G66-G69 PolarHBondContact O-N 2.7Å; G69-S72 PolarHBondContact O-N 3.27Å; G69-R73 WeakPolarHBondContact O-CG 3.09Å; G69-R73 PolarHBondContact O-N 2.73Å |
| 70 | F | 67.6 | Low | 68.9 | Low | 137 Ų | 137 | 65.2 Ų | 65.2 | 60% | 0.601 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67 | -44.9 | 176.1 | -167.9 | -106.3 | 0 | 0 | 0 | 112.3 | G66 I67 F68 S72 R73 L74 | G66-F70 PolarHBondContact O-N 3.3Å; I67-F70 PolarHBondContact O-N 3.14Å; F68-F70 VanDerWaalsContact C-N 3.32Å; F68-F70 PolarHBondContact O-N 3.44Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 2.67Å; F70-R73 PolarHBondContact O-N 2.76Å; F70-L74 HydrophobicContact CD1-CD1 3.54Å; F70-L74 HydrophobicContact CE1-CD1 3.13Å; F70-L74 HydrophobicContact CG-CD1 4.39Å; F70-L74 HydrophobicContact CZ-CD1 3.69Å; F70-L74 PolarHBondContact O-N 3.49Å |
| 71 | L | 72.6 | Confident | 70 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 42% | 0.424 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 175.3 | -79.2 | 164 | 0 | 0 | 0 | 112.6 | I67 F68 L74 K75 | I67-L71 HydrophobicContact CG2-CD1 4.08Å; I67-L71 WeakPolarHBondContact O-CG 2.9Å; I67-L71 PolarHBondContact O-N 3.3Å; F68-L71 HydrophobicContact CD1-CD1 4.39Å; F68-L71 PolarHBondContact O-N 2.85Å; L71-L74 PolarHBondContact O-N 3.08Å; L71-K75 WeakPolarHBondContact O-CB 3.41Å; L71-K75 PolarHBondContact O-N 2.7Å |
| 72 | S | 70.5 | Confident | 71.1 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | F68 G69 F70 L74 K75 L76 | F68-S72 WeakPolarHBondContact O-CB 3.4Å; F68-S72 PolarHBondContact O-N 3.5Å; G69-S72 PolarHBondContact O-N 3.27Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 2.67Å; S72-L74 PolarHBondContact O-N 2.81Å; S72-K75 PolarHBondContact O-N 3.49Å; S72-L76 WeakPolarHBondContact O-CB 3.42Å; S72-L76 WeakPolarHBondContact O-CG 3.45Å; S72-L76 PolarHBondContact O-N 3.37Å |
| 73 | R | 73.8 | Confident | 72.1 | Confident | 133 Ų | 133 | 71.7 Ų | 71.7 | 50% | 0.502 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 175.3 | -71.8 | 179.7 | -176.3 | -175.2 | 7.4 | 112.5 | G69 F70 L76 A77 G149 | G69-R73 WeakPolarHBondContact O-CG 3.09Å; G69-R73 PolarHBondContact O-N 2.73Å; F70-R73 PolarHBondContact O-N 2.76Å; R73-L76 PolarHBondContact O-N 3.39Å; R73-A77 WeakPolarHBondContact O-CB 3.4Å; R73-A77 PolarHBondContact O-N 3.27Å; R73-G149 PolarHBondContact NH2-O 3.29Å |
| 74 | L | 77.8 | Confident | 73.6 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 47% | 0.466 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 175.8 | -112.1 | 134.8 | 0 | 0 | 0 | 111.8 | F70 L71 S72 L76 A77 Q78 | F70-L74 HydrophobicContact CD1-CD1 3.54Å; F70-L74 HydrophobicContact CE1-CD1 3.13Å; F70-L74 HydrophobicContact CG-CD1 4.39Å; F70-L74 HydrophobicContact CZ-CD1 3.69Å; F70-L74 PolarHBondContact O-N 3.49Å; L71-L74 PolarHBondContact O-N 3.08Å; S72-L74 PolarHBondContact O-N 2.81Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.45Å; L74-A77 PolarHBondContact O-N 2.93Å; L74-Q78 VanDerWaalsContact O-CB 3.31Å; L74-Q78 WeakPolarHBondContact O-CB 3.18Å; L74-Q78 PolarHBondContact O-N 2.76Å |
| 75 | K | 76.9 | Confident | 74.7 | Confident | 88 Ų | 88 | 75.4 Ų | 75.4 | 38% | 0.383 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 176.2 | -84.6 | -179.1 | 172.6 | 175.3 | 0 | 112.4 | L71 S72 T79 L117 | L71-K75 WeakPolarHBondContact O-CB 3.41Å; L71-K75 PolarHBondContact O-N 2.7Å; S72-K75 PolarHBondContact O-N 3.49Å; K75-T79 PolarHBondContact O-N 2.86Å; K75-T79 VanDerWaalsContact O-N 3.08Å; K75-T79 PolarHBondContact O-OG1 3.34Å; K75-T79 VanDerWaalsContact O-OG1 3.04Å; K75-L117 HydrophobicContact CB-CD1 4.14Å |
| 76 | L | 79.3 | Confident | 75.5 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 17% | 0.168 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 176.4 | -75 | 172.3 | 0 | 0 | 0 | 112.7 | S72 R73 L74 Q78 T79 A80 L117 F147 | S72-L76 WeakPolarHBondContact O-CB 3.42Å; S72-L76 WeakPolarHBondContact O-CG 3.45Å; S72-L76 PolarHBondContact O-N 3.37Å; R73-L76 PolarHBondContact O-N 3.39Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.45Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.24Å; L76-T79 WeakPolarHBondContact CA-OG1 3.36Å; L76-T79 PolarHBondContact O-N 2.79Å; L76-T79 PolarHBondContact O-OG1 3.4Å; L76-A80 VanDerWaalsContact O-CB 3.28Å; L76-A80 WeakPolarHBondContact O-CB 3.48Å; L76-A80 PolarHBondContact O-N 2.92Å; L76-L117 HydrophobicContact CD2-CD2 4.46Å; L76-F147 HydrophobicContact CD1-CE2 4.48Å; L76-F147 HydrophobicContact CD1-CZ 4.39Å; L76-F147 HydrophobicContact CD2-CE2 4.23Å; L76-F147 HydrophobicContact CD2-CZ 3.84Å |
| 77 | A | 80.6 | Confident | 76.4 | Confident | 60 Ų | 60 | 79 Ų | 79 | 50% | 0.496 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R73 L74 A80 L81 | R73-A77 WeakPolarHBondContact O-CB 3.4Å; R73-A77 PolarHBondContact O-N 3.27Å; L74-A77 PolarHBondContact O-N 2.93Å; A77-A80 PolarHBondContact O-N 2.84Å; A77-L81 VanDerWaalsContact O-CB 3.31Å; A77-L81 WeakPolarHBondContact O-CB 3.43Å; A77-L81 PolarHBondContact O-N 3.46Å |
| 78 | Q | 80.5 | Confident | 77.1 | Confident | 130 Ų | 130 | 77 Ų | 77 | 61% | 0.607 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.1 | -47.2 | 175 | -175.8 | -179.9 | -16.5 | 0 | 0 | 111.3 | L74 L76 L81 T82 | L74-Q78 VanDerWaalsContact O-CB 3.31Å; L74-Q78 WeakPolarHBondContact O-CB 3.18Å; L74-Q78 PolarHBondContact O-N 2.76Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.24Å; Q78-L81 PolarHBondContact O-N 2.77Å; Q78-T82 WeakPolarHBondContact O-CG2 3.42Å; Q78-T82 PolarHBondContact O-N 3.25Å; Q78-T82 PolarHBondContact O-OG1 2.84Å |
| 79 | T | 81.3 | Confident | 77.3 | Confident | 28 Ų | 28 | 75 Ų | 75 | 17% | 0.172 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 176.9 | 36.6 | 0 | 0 | 0 | 0 | 113.1 | K75 L76 L81 T82 V83 L117 | K75-T79 PolarHBondContact O-N 2.86Å; K75-T79 VanDerWaalsContact O-N 3.08Å; K75-T79 PolarHBondContact O-OG1 3.34Å; K75-T79 VanDerWaalsContact O-OG1 3.04Å; L76-T79 WeakPolarHBondContact CA-OG1 3.36Å; L76-T79 PolarHBondContact O-N 2.79Å; L76-T79 PolarHBondContact O-OG1 3.4Å; T79-L81 VanDerWaalsContact C-N 3.31Å; T79-L81 PolarHBondContact O-N 3.22Å; T79-T82 VanDerWaalsContact CA-OG1 3.27Å; T79-T82 WeakPolarHBondContact CA-OG1 3.43Å; T79-T82 PolarHBondContact O-N 2.88Å; T79-T82 VanDerWaalsContact O-N 3.16Å; T79-T82 PolarHBondContact O-OG1 3.13Å; T79-V83 WeakPolarHBondContact O-CG2 3.18Å; T79-V83 PolarHBondContact O-N 3.33Å; T79-L117 HydrophobicContact CG2-CD1 3.64Å |
| 80 | A | 82.4 | Confident | 77.3 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L76 A77 T82 V83 V84 | L76-A80 VanDerWaalsContact O-CB 3.28Å; L76-A80 WeakPolarHBondContact O-CB 3.48Å; L76-A80 PolarHBondContact O-N 2.92Å; A77-A80 PolarHBondContact O-N 2.84Å; A80-T82 PolarHBondContact O-N 3.44Å; A80-V83 PolarHBondContact O-N 3.21Å; A80-V84 WeakPolarHBondContact O-CG2 3.11Å; A80-V84 PolarHBondContact O-N 3.49Å |
| 81 | L | 82.4 | Confident | 77.8 | Confident | 113 Ų | 113 | 78.8 Ų | 78.8 | 59% | 0.592 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 175.2 | -172.4 | 67.3 | 0 | 0 | 0 | 111.1 | A77 Q78 T79 V83 V84 V85 | A77-L81 VanDerWaalsContact O-CB 3.31Å; A77-L81 WeakPolarHBondContact O-CB 3.43Å; A77-L81 PolarHBondContact O-N 3.46Å; Q78-L81 PolarHBondContact O-N 2.77Å; T79-L81 VanDerWaalsContact C-N 3.31Å; T79-L81 PolarHBondContact O-N 3.22Å; L81-V83 VanDerWaalsContact C-N 3.33Å; L81-V83 PolarHBondContact O-N 3.03Å; L81-V84 PolarHBondContact O-N 3.41Å; L81-V85 HydrophobicContact CD1-CG2 4.43Å; L81-V85 HydrophobicContact CG-CG2 4.39Å; L81-V85 WeakPolarHBondContact O-CB 3.33Å; L81-V85 VanDerWaalsContact O-CG2 3.23Å; L81-V85 WeakPolarHBondContact O-CG2 3.28Å; L81-V85 PolarHBondContact O-N 3.26Å |
| 82 | T | 78.8 | Confident | 77.8 | Confident | 68 Ų | 68 | 83 Ų | 83 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 176.8 | 55 | 0 | 0 | 0 | 0 | 112.9 | Q78 T79 A80 V84 V85 L86 | Q78-T82 WeakPolarHBondContact O-CG2 3.42Å; Q78-T82 PolarHBondContact O-N 3.25Å; Q78-T82 PolarHBondContact O-OG1 2.84Å; T79-T82 VanDerWaalsContact CA-OG1 3.27Å; T79-T82 WeakPolarHBondContact CA-OG1 3.43Å; T79-T82 PolarHBondContact O-N 2.88Å; T79-T82 VanDerWaalsContact O-N 3.16Å; T79-T82 PolarHBondContact O-OG1 3.13Å; A80-T82 PolarHBondContact O-N 3.44Å; T82-V84 VanDerWaalsContact C-N 3.32Å; T82-V84 PolarHBondContact O-N 3.2Å; T82-V85 PolarHBondContact O-N 3.18Å; T82-L86 WeakPolarHBondContact O-CB 3.31Å; T82-L86 PolarHBondContact O-N 3.08Å |
| 83 | V | 82 | Confident | 77.6 | Confident | 96 Ų | 96 | 86.8 Ų | 86.8 | 58% | 0.582 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.3 | -36.2 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | T79 A80 L81 P87 | T79-V83 WeakPolarHBondContact O-CG2 3.18Å; T79-V83 PolarHBondContact O-N 3.33Å; A80-V83 PolarHBondContact O-N 3.21Å; L81-V83 VanDerWaalsContact C-N 3.33Å; L81-V83 PolarHBondContact O-N 3.03Å; V83-P87 WeakPolarHBondContact O-CD 3.32Å |
| 84 | V | 84.2 | Confident | 77.2 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 61% | 0.612 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.8 | -35.3 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 112 | A80 L81 T82 P87 P88 | A80-V84 WeakPolarHBondContact O-CG2 3.11Å; A80-V84 PolarHBondContact O-N 3.49Å; L81-V84 PolarHBondContact O-N 3.41Å; T82-V84 VanDerWaalsContact C-N 3.32Å; T82-V84 PolarHBondContact O-N 3.2Å; V84-P87 WeakPolarHBondContact O-CD 3.48Å; V84-P88 VanDerWaalsContact O-CD 3.31Å; V84-P88 WeakPolarHBondContact O-CD 3.4Å |
| 85 | V | 79.6 | Confident | 77.1 | Confident | 81 Ų | 81 | 86.5 Ų | 86.5 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -79 | -23.3 | 179.5 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | L81 T82 P88 A89 | L81-V85 HydrophobicContact CD1-CG2 4.43Å; L81-V85 HydrophobicContact CG-CG2 4.39Å; L81-V85 WeakPolarHBondContact O-CB 3.33Å; L81-V85 VanDerWaalsContact O-CG2 3.23Å; L81-V85 WeakPolarHBondContact O-CG2 3.28Å; L81-V85 PolarHBondContact O-N 3.26Å; T82-V85 PolarHBondContact O-N 3.18Å; V85-P88 VanDerWaalsContact O-CD 3.29Å; V85-P88 WeakPolarHBondContact O-CD 3.11Å; V85-A89 PolarHBondContact O-N 2.65Å |
| 86 | L | 77.6 | Confident | 76.7 | Confident | 76 Ų | 76 | 85.4 Ų | 85.4 | 40% | 0.398 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.2 | -50 | 179.5 | -144.2 | 86.5 | 0 | 0 | 0 | 114.1 | T82 A89 C90 M106 | T82-L86 WeakPolarHBondContact O-CB 3.31Å; T82-L86 PolarHBondContact O-N 3.08Å; L86-A89 WeakPolarHBondContact O-CB 3.02Å; L86-A89 PolarHBondContact O-N 3.32Å; L86-A89 VanDerWaalsContact O-N 3.11Å; L86-C90 PolarHBondContact O-N 3.36Å; L86-C90 PolarHBondContact O-SG 3.41Å; L86-C90 VanDerWaalsContact O-SG 3.37Å; L86-M106 HydrophobicContact CD1-CE 4.48Å |
| 87 | P | 79.5 | Confident | 76 | Confident | 80 Ų | 80 | 89.9 Ų | 89.9 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | -179.5 | 7.2 | -14.3 | 0 | 0 | 0 | 114.3 | V83 V84 A89 C90 Y91 | V83-P87 WeakPolarHBondContact O-CD 3.32Å; V84-P87 WeakPolarHBondContact O-CD 3.48Å; P87-A89 VanDerWaalsContact C-N 3.31Å; P87-A89 PolarHBondContact O-N 3.45Å; P87-C90 PolarHBondContact O-N 3.4Å; P87-Y91 PolarHBondContact O-N 2.97Å |
| 88 | P | 78.5 | Confident | 75.4 | Confident | 74 Ų | 74 | 90.7 Ų | 90.7 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 170.7 | -25.3 | 30 | 0 | 0 | 0 | 113.6 | V84 V85 Y91 W92 | V84-P88 VanDerWaalsContact O-CD 3.31Å; V84-P88 WeakPolarHBondContact O-CD 3.4Å; V85-P88 VanDerWaalsContact O-CD 3.29Å; V85-P88 WeakPolarHBondContact O-CD 3.11Å; P88-Y91 WeakPolarHBondContact O-CB 3.48Å; P88-Y91 PolarHBondContact O-N 3.21Å; P88-W92 PolarHBondContact O-N 3.38Å |
| 89 | A | 68.9 | Low | 75.2 | Confident | 33 Ų | 33 | 89 Ų | 89 | 27% | 0.273 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V85 L86 P87 Y91 W92 Y93 | V85-A89 PolarHBondContact O-N 2.65Å; L86-A89 WeakPolarHBondContact O-CB 3.02Å; L86-A89 PolarHBondContact O-N 3.32Å; L86-A89 VanDerWaalsContact O-N 3.11Å; P87-A89 VanDerWaalsContact C-N 3.31Å; P87-A89 PolarHBondContact O-N 3.45Å; A89-Y91 VanDerWaalsContact C-N 3.32Å; A89-Y91 PolarHBondContact O-N 2.97Å; A89-W92 PolarHBondContact O-N 2.81Å; A89-Y93 PolarHBondContact O-N 2.74Å |
| 90 | C | 68.1 | Low | 75 | Confident | 74 Ų | 74 | 93.9 Ų | 93.9 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 173.1 | -68.4 | 0 | 0 | 0 | 0 | 112.3 | L86 P87 Y93 S94 | L86-C90 PolarHBondContact O-N 3.36Å; L86-C90 PolarHBondContact O-SG 3.41Å; L86-C90 VanDerWaalsContact O-SG 3.37Å; P87-C90 PolarHBondContact O-N 3.4Å; C90-Y93 WeakPolarHBondContact O-CB 3.49Å; C90-Y93 PolarHBondContact O-N 3.06Å; C90-S94 PolarHBondContact O-N 2.62Å; C90-S94 VanDerWaalsContact O-N 3.15Å |
| 91 | Y | 78.6 | Confident | 74.9 | Confident | 152 Ų | 152 | 97 Ų | 97 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.1 | -38.6 | 174.2 | -176.2 | -102.4 | 0 | 0 | 0 | 112.3 | P87 P88 A89 Y93 S94 | P87-Y91 PolarHBondContact O-N 2.97Å; P88-Y91 WeakPolarHBondContact O-CB 3.48Å; P88-Y91 PolarHBondContact O-N 3.21Å; A89-Y91 VanDerWaalsContact C-N 3.32Å; A89-Y91 PolarHBondContact O-N 2.97Å; Y91-Y93 VanDerWaalsContact C-N 3.33Å; Y91-S94 PolarHBondContact O-N 3.01Å; Y91-S94 PolarHBondContact O-OG 3.15Å |
| 92 | W | 72.3 | Confident | 74.8 | Confident | 170 Ų | 170 | 94.7 Ų | 94.7 | 64% | 0.644 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.1 | -29.2 | 171.7 | -80.9 | 15.7 | 0 | 0 | 0 | 113 | P88 A89 Q95 | P88-W92 PolarHBondContact O-N 3.38Å; A89-W92 PolarHBondContact O-N 2.81Å; W92-Q95 WeakPolarHBondContact O-CB 3.17Å; W92-Q95 PolarHBondContact O-N 3.2Å |
| 93 | Y | 66.1 | Low | 74.7 | Confident | 87 Ų | 87 | 93.9 Ų | 93.9 | 34% | 0.341 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 173.1 | 179.9 | -120 | 0 | 0 | 0 | 112.5 | A89 C90 Y91 Q95 G96 L98 V103 | A89-Y93 PolarHBondContact O-N 2.74Å; C90-Y93 WeakPolarHBondContact O-CB 3.49Å; C90-Y93 PolarHBondContact O-N 3.06Å; Y91-Y93 VanDerWaalsContact C-N 3.33Å; Y93-Q95 PolarHBondContact O-N 3.03Å; Y93-Q95 VanDerWaalsContact O-N 3.11Å; Y93-G96 PolarHBondContact O-N 3.44Å; Y93-L98 HydrophobicContact CD2-CB 3.72Å; Y93-L98 HydrophobicContact CD2-CD1 4.08Å; Y93-L98 HydrophobicContact CD2-CG 4.32Å; Y93-L98 HydrophobicContact CE2-CB 4.12Å; Y93-L98 WeakPolarHBondContact CE2-O 3.3Å; Y93-V103 HydrophobicContact CD2-CG2 3.71Å; Y93-V103 HydrophobicContact CE1-CG2 4.34Å; Y93-V103 HydrophobicContact CE2-CG2 3.27Å; Y93-V103 HydrophobicContact CG-CG2 4.35Å |
| 94 | S | 66 | Low | 74.8 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15.2 | 177.5 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | C90 Y91 G96 | C90-S94 PolarHBondContact O-N 2.62Å; C90-S94 VanDerWaalsContact O-N 3.15Å; Y91-S94 PolarHBondContact O-N 3.01Å; Y91-S94 PolarHBondContact O-OG 3.15Å; S94-G96 PolarHBondContact O-N 2.87Å |
| 95 | Q | 76.4 | Confident | 74.9 | Confident | 126 Ų | 126 | 94.2 Ų | 94.2 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 3 | 172.3 | -58.1 | -128.5 | 46.5 | 0 | 0 | 113.3 | W92 Y93 L97 | W92-Q95 WeakPolarHBondContact O-CB 3.17Å; W92-Q95 PolarHBondContact O-N 3.2Å; Y93-Q95 PolarHBondContact O-N 3.03Å; Y93-Q95 VanDerWaalsContact O-N 3.11Å; Q95-L97 HydrophobicContact CB-CD1 4.29Å |
| 96 | G | 68 | Low | 75.1 | Confident | 65 Ų | 65 | 95.1 Ų | 95.1 | 67% | 0.67 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 14.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y93 S94 | Y93-G96 PolarHBondContact O-N 3.44Å; S94-G96 PolarHBondContact O-N 2.87Å |
| 97 | L | 64.7 | Low | 75.2 | Confident | 126 Ų | 126 | 95 Ų | 95 | 66% | 0.66 | 53% | 0.53 | S | S | * | . | trans | -79.7 | -11.7 | -176.3 | -78.8 | 158.2 | 0 | 0 | 0 | 114.8 | Q95 | Q95-L97 HydrophobicContact CB-CD1 4.29Š| ||
| 98 | L | 67.4 | Low | 75.7 | Confident | 76 Ų | 76 | 93.2 Ų | 93.2 | 40% | 0.398 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -124.3 | 141.2 | -178.9 | -49.4 | 160.8 | 0 | 0 | 0 | 112.3 | Y93 V103 | Y93-L98 HydrophobicContact CD2-CB 3.72Å; Y93-L98 HydrophobicContact CD2-CD1 4.08Å; Y93-L98 HydrophobicContact CD2-CG 4.32Å; Y93-L98 HydrophobicContact CE2-CB 4.12Å; Y93-L98 WeakPolarHBondContact CE2-O 3.3Å; L98-V103 HydrophobicContact CB-CG2 4.38Å |
| 99 | T | 76.6 | Confident | 76.1 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | trans | -77.1 | 151.3 | 176.2 | -49.3 | 0 | 0 | 0 | 0 | 111.5 | N101 T102 V103 | T99-N101 HydrophobicContact CG2-CB 4.41Å; T99-N101 PolarHBondContact O-N 3.48Å; T99-N101 VanDerWaalsContact O-N 3.11Å; T99-T102 PolarHBondContact N-OG1 2.82Å; T99-T102 PolarHBondContact O-N 3.01Å; T99-T102 PolarHBondContact O-OG1 3.01Å; T99-V103 PolarHBondContact O-N 2.95Å | ||
| 100 | L | 76.8 | Confident | 76.7 | Confident | 132 Ų | 132 | 96.3 Ų | 96.3 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -51.6 | -36.3 | 174.5 | -83.9 | 163.2 | 0 | 0 | 0 | 113.4 | V103 C104 | L100-V103 PolarHBondContact O-N 3.33Å; L100-C104 WeakPolarHBondContact O-CB 3.2Å; L100-C104 PolarHBondContact O-N 2.89Å |
| 101 | N | 80.8 | Confident | 77.5 | Confident | 121 Ų | 121 | 94.4 Ų | 94.4 | 65% | 0.647 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.8 | -40.5 | 177.3 | -74.3 | -14.7 | 0 | 0 | 0 | 112.9 | T99 C104 L105 | T99-N101 HydrophobicContact CG2-CB 4.41Å; T99-N101 PolarHBondContact O-N 3.48Å; T99-N101 VanDerWaalsContact O-N 3.11Å; N101-C104 PolarHBondContact O-N 3.13Å; N101-L105 WeakPolarHBondContact O-CB 3.34Å; N101-L105 WeakPolarHBondContact O-CG 3.41Å; N101-L105 PolarHBondContact O-N 3.33Å |
| 102 | T | 79.6 | Confident | 78 | Confident | 66 Ų | 66 | 93.6 Ų | 93.6 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.8 | -35 | 179.2 | 40.5 | 0 | 0 | 0 | 0 | 111.4 | T99 M106 | T99-T102 PolarHBondContact N-OG1 2.82Å; T99-T102 PolarHBondContact O-N 3.01Å; T99-T102 PolarHBondContact O-OG1 3.01Å; T102-M106 VanDerWaalsContact O-CB 3.25Å; T102-M106 WeakPolarHBondContact O-CB 3.42Å; T102-M106 PolarHBondContact O-N 3.24Å |
| 103 | V | 78.1 | Confident | 78.5 | Confident | 50 Ų | 50 | 87.8 Ų | 87.8 | 30% | 0.303 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 173 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | Y93 L98 T99 L100 M106 S107 | Y93-V103 HydrophobicContact CD2-CG2 3.71Å; Y93-V103 HydrophobicContact CE1-CG2 4.34Å; Y93-V103 HydrophobicContact CE2-CG2 3.27Å; Y93-V103 HydrophobicContact CG-CG2 4.35Å; L98-V103 HydrophobicContact CB-CG2 4.38Å; T99-V103 PolarHBondContact O-N 2.95Å; L100-V103 PolarHBondContact O-N 3.33Å; V103-M106 PolarHBondContact O-N 3.1Å; V103-S107 WeakPolarHBondContact O-CB 3.49Å; V103-S107 PolarHBondContact O-N 2.79Å; V103-S107 PolarHBondContact O-OG 3.33Å |
| 104 | C | 83.5 | Confident | 79.2 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 178.3 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | L100 N101 S107 G108 | L100-C104 WeakPolarHBondContact O-CB 3.2Å; L100-C104 PolarHBondContact O-N 2.89Å; N101-C104 PolarHBondContact O-N 3.13Å; C104-S107 PolarHBondContact O-OG 3.26Å; C104-G108 PolarHBondContact O-N 2.9Å |
| 105 | L | 86.2 | Confident | 80.1 | Confident | 116 Ų | 116 | 88 Ų | 88 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 174.4 | -72.1 | 171.5 | 0 | 0 | 0 | 111.9 | N101 G108 I109 | N101-L105 WeakPolarHBondContact O-CB 3.34Å; N101-L105 WeakPolarHBondContact O-CG 3.41Å; N101-L105 PolarHBondContact O-N 3.33Å; L105-G108 PolarHBondContact O-N 3.12Å; L105-I109 WeakPolarHBondContact O-CD1 3.09Å; L105-I109 VanDerWaalsContact O-CG1 3.26Å; L105-I109 WeakPolarHBondContact O-CG1 3.48Å; L105-I109 PolarHBondContact O-N 3.3Å |
| 106 | M | 82.6 | Confident | 80.5 | Confident | 100 Ų | 100 | 86.2 Ų | 86.2 | 49% | 0.493 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 179.9 | -173.3 | 168.2 | -174.1 | 0 | 0 | 112.2 | L86 T102 V103 S110 | L86-M106 HydrophobicContact CD1-CE 4.48Å; T102-M106 VanDerWaalsContact O-CB 3.25Å; T102-M106 WeakPolarHBondContact O-CB 3.42Å; T102-M106 PolarHBondContact O-N 3.24Å; V103-M106 PolarHBondContact O-N 3.1Å; M106-S110 WeakPolarHBondContact O-CB 3.48Å; M106-S110 PolarHBondContact O-N 2.67Å |
| 107 | S | 81.5 | Confident | 81 | Confident | 72 Ų | 72 | 84.5 Ų | 84.5 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 176.2 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | V103 C104 S110 G111 | V103-S107 WeakPolarHBondContact O-CB 3.49Å; V103-S107 PolarHBondContact O-N 2.79Å; V103-S107 PolarHBondContact O-OG 3.33Å; C104-S107 PolarHBondContact O-OG 3.26Å; S107-S110 PolarHBondContact O-N 3.09Å; S107-G111 PolarHBondContact O-N 2.92Å |
| 108 | G | 88.9 | Confident | 81.6 | Confident | 43 Ų | 43 | 82.4 Ų | 82.4 | 44% | 0.443 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C104 L105 S110 G111 F112 | C104-G108 PolarHBondContact O-N 2.9Å; L105-G108 PolarHBondContact O-N 3.12Å; G108-S110 VanDerWaalsContact C-N 3.35Å; G108-S110 PolarHBondContact O-N 3.16Å; G108-G111 PolarHBondContact O-N 2.86Å; G108-F112 WeakPolarHBondContact O-CB 3.18Å; G108-F112 PolarHBondContact O-N 2.81Å |
| 109 | I | 86.4 | Confident | 82.2 | Confident | 122 Ų | 122 | 87.4 Ų | 87.4 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 176.9 | -65.7 | 163.6 | 0 | 0 | 0 | 110.6 | L105 F112 A113 | L105-I109 WeakPolarHBondContact O-CD1 3.09Å; L105-I109 VanDerWaalsContact O-CG1 3.26Å; L105-I109 WeakPolarHBondContact O-CG1 3.48Å; L105-I109 PolarHBondContact O-N 3.3Å; I109-F112 PolarHBondContact O-N 3.07Å; I109-A113 VanDerWaalsContact O-CB 3.29Å; I109-A113 WeakPolarHBondContact O-CB 2.9Å; I109-A113 PolarHBondContact O-N 3.43Å |
| 110 | S | 82.4 | Confident | 81.8 | Confident | 50 Ų | 50 | 86 Ų | 86 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 177.3 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | M106 S107 G108 A113 L114 | M106-S110 WeakPolarHBondContact O-CB 3.48Å; M106-S110 PolarHBondContact O-N 2.67Å; S107-S110 PolarHBondContact O-N 3.09Å; G108-S110 VanDerWaalsContact C-N 3.35Å; G108-S110 PolarHBondContact O-N 3.16Å; S110-A113 PolarHBondContact O-N 3.06Å; S110-L114 PolarHBondContact O-N 3.23Å |
| 111 | G | 85.5 | Confident | 81.3 | Confident | 34 Ų | 34 | 80.5 Ų | 80.5 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S107 G108 L114 T115 | S107-G111 PolarHBondContact O-N 2.92Å; G108-G111 PolarHBondContact O-N 2.86Å; G111-L114 PolarHBondContact O-N 3.48Å; G111-T115 WeakPolarHBondContact O-CB 2.83Å; G111-T115 PolarHBondContact O-N 3.43Å; G111-T115 PolarHBondContact O-OG1 3.01Å |
| 112 | F | 88.3 | Confident | 80.8 | Confident | 136 Ų | 136 | 81.8 Ų | 81.8 | 60% | 0.596 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.7 | -44.6 | 175 | -177.4 | -100.5 | 0 | 0 | 0 | 111.6 | G108 I109 L114 T115 M116 | G108-F112 WeakPolarHBondContact O-CB 3.18Å; G108-F112 PolarHBondContact O-N 2.81Å; I109-F112 PolarHBondContact O-N 3.07Å; F112-L114 PolarHBondContact O-N 3.21Å; F112-T115 PolarHBondContact O-N 2.98Å; F112-M116 HydrophobicContact CD1-CG 4.36Å; F112-M116 HydrophobicContact CE1-CG 3.92Å; F112-M116 HydrophobicContact CE2-CE 3.9Å; F112-M116 HydrophobicContact CE2-CG 4.33Å; F112-M116 HydrophobicContact CZ-CE 3.68Å; F112-M116 HydrophobicContact CZ-CG 3.91Å; F112-M116 WeakPolarHBondContact O-CB 3.42Å; F112-M116 PolarHBondContact O-N 2.92Å |
| 113 | A | 82.8 | Confident | 80.3 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 40% | 0.397 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I109 S110 L117 | I109-A113 VanDerWaalsContact O-CB 3.29Å; I109-A113 WeakPolarHBondContact O-CB 2.9Å; I109-A113 PolarHBondContact O-N 3.43Å; S110-A113 PolarHBondContact O-N 3.06Å; A113-L117 VanDerWaalsContact O-CB 3.25Å; A113-L117 WeakPolarHBondContact O-CB 3.43Å; A113-L117 PolarHBondContact O-N 3.46Å |
| 114 | L | 81 | Confident | 79.5 | Confident | 89 Ų | 89 | 81.3 Ų | 81.3 | 47% | 0.466 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 175.2 | -121.6 | 73.8 | 0 | 0 | 0 | 111.8 | S110 G111 F112 L117 C118 | S110-L114 PolarHBondContact O-N 3.23Å; G111-L114 PolarHBondContact O-N 3.48Å; F112-L114 PolarHBondContact O-N 3.21Å; L114-L117 PolarHBondContact O-N 3.15Å; L114-C118 PolarHBondContact O-N 3.42Å; L114-C118 PolarHBondContact O-SG 2.89Å |
| 115 | T | 84.9 | Confident | 78.4 | Confident | 92 Ų | 92 | 84.4 Ų | 84.4 | 56% | 0.564 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62 | -48.1 | -179.3 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | G111 F112 L117 C118 W119 | G111-T115 WeakPolarHBondContact O-CB 2.83Å; G111-T115 PolarHBondContact O-N 3.43Å; G111-T115 PolarHBondContact O-OG1 3.01Å; F112-T115 PolarHBondContact O-N 2.98Å; T115-L117 VanDerWaalsContact C-N 3.28Å; T115-L117 PolarHBondContact O-N 2.88Å; T115-C118 PolarHBondContact O-N 2.9Å; T115-W119 PolarHBondContact O-N 3.07Å |
| 116 | M | 84.4 | Confident | 77.4 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 44% | 0.438 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 175.1 | -80.4 | -67.1 | 165.1 | 0 | 0 | 111.9 | F112 W119 M120 | F112-M116 HydrophobicContact CD1-CG 4.36Å; F112-M116 HydrophobicContact CE1-CG 3.92Å; F112-M116 HydrophobicContact CE2-CE 3.9Å; F112-M116 HydrophobicContact CE2-CG 4.33Å; F112-M116 HydrophobicContact CZ-CE 3.68Å; F112-M116 HydrophobicContact CZ-CG 3.91Å; F112-M116 WeakPolarHBondContact O-CB 3.42Å; F112-M116 PolarHBondContact O-N 2.92Å; M116-W119 PolarHBondContact O-N 2.77Å; M116-M120 WeakPolarHBondContact O-CB 3.27Å; M116-M120 WeakPolarHBondContact O-CG 3.3Å; M116-M120 PolarHBondContact O-N 3.06Å |
| 117 | L | 79.2 | Confident | 76.4 | Confident | 29 Ų | 29 | 77.9 Ų | 77.9 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 177 | -170.9 | 140.3 | 0 | 0 | 0 | 112.1 | K75 L76 T79 A113 L114 T115 W119 M120 S121 | K75-L117 HydrophobicContact CB-CD1 4.14Å; L76-L117 HydrophobicContact CD2-CD2 4.46Å; T79-L117 HydrophobicContact CG2-CD1 3.64Å; A113-L117 VanDerWaalsContact O-CB 3.25Å; A113-L117 WeakPolarHBondContact O-CB 3.43Å; A113-L117 PolarHBondContact O-N 3.46Å; L114-L117 PolarHBondContact O-N 3.15Å; T115-L117 VanDerWaalsContact C-N 3.28Å; T115-L117 PolarHBondContact O-N 2.88Å; L117-W119 VanDerWaalsContact C-N 3.34Å; L117-W119 PolarHBondContact O-N 2.92Å; L117-M120 PolarHBondContact O-N 3.4Å; L117-S121 VanDerWaalsContact O-CB 3.29Å; L117-S121 WeakPolarHBondContact O-CB 3.11Å; L117-S121 PolarHBondContact O-N 2.92Å; L117-S121 PolarHBondContact O-OG 2.89Å |
| 118 | C | 76 | Confident | 75.4 | Confident | 82 Ų | 82 | 74.6 Ų | 74.6 | 55% | 0.554 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.9 | -44.4 | 174 | -78.3 | 0 | 0 | 0 | 0 | 111.5 | L114 T115 S121 Y122 | L114-C118 PolarHBondContact O-N 3.42Å; L114-C118 PolarHBondContact O-SG 2.89Å; T115-C118 PolarHBondContact O-N 2.9Å; C118-S121 WeakPolarHBondContact O-CB 3.42Å; C118-S121 PolarHBondContact O-N 2.86Å; C118-Y122 PolarHBondContact O-N 3.37Å |
| 119 | W | 80.2 | Confident | 73.8 | Confident | 181 Ų | 181 | 72.6 Ų | 72.6 | 69% | 0.686 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.6 | -48.5 | 176.8 | -168.7 | -85.5 | 0 | 0 | 0 | 112.1 | T115 M116 L117 S121 Y122 F123 | T115-W119 PolarHBondContact O-N 3.07Å; M116-W119 PolarHBondContact O-N 2.77Å; L117-W119 VanDerWaalsContact C-N 3.34Å; L117-W119 PolarHBondContact O-N 2.92Å; W119-S121 VanDerWaalsContact C-N 3.3Å; W119-S121 PolarHBondContact O-N 3.44Å; W119-Y122 WeakPolarHBondContact O-CB 3.48Å; W119-Y122 PolarHBondContact O-N 2.85Å; W119-F123 PolarHBondContact O-N 3.49Å |
| 120 | M | 67.9 | Low | 72.6 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 177 | -67.7 | -71.1 | 149.2 | 0 | 0 | 111.4 | M116 L117 Y122 F123 F124 | M116-M120 WeakPolarHBondContact O-CB 3.27Å; M116-M120 WeakPolarHBondContact O-CG 3.3Å; M116-M120 PolarHBondContact O-N 3.06Å; L117-M120 PolarHBondContact O-N 3.4Å; M120-Y122 VanDerWaalsContact C-N 3.34Å; M120-Y122 PolarHBondContact O-N 3.36Å; M120-F123 WeakPolarHBondContact O-CB 3.22Å; M120-F123 PolarHBondContact O-N 3.14Å; M120-F123 VanDerWaalsContact O-N 3.16Å; M120-F124 HydrophobicContact CB-CD2 4.47Å; M120-F124 HydrophobicContact CB-CE2 4.04Å; M120-F124 WeakPolarHBondContact O-CD2 3.36Å; M120-F124 WeakPolarHBondContact O-CG 3.38Å; M120-F124 PolarHBondContact O-N 2.92Å |
| 121 | S | 66.6 | Low | 71.8 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 176.2 | -60 | 0 | 0 | 0 | 0 | 112.1 | L117 C118 W119 F123 F124 R125 | L117-S121 VanDerWaalsContact O-CB 3.29Å; L117-S121 WeakPolarHBondContact O-CB 3.11Å; L117-S121 PolarHBondContact O-N 2.92Å; L117-S121 PolarHBondContact O-OG 2.89Å; C118-S121 WeakPolarHBondContact O-CB 3.42Å; C118-S121 PolarHBondContact O-N 2.86Å; W119-S121 VanDerWaalsContact C-N 3.3Å; W119-S121 PolarHBondContact O-N 3.44Å; S121-F123 VanDerWaalsContact C-N 3.32Å; S121-F124 PolarHBondContact O-N 3.45Å; S121-R125 WeakPolarHBondContact O-CG 3.28Å; S121-R125 PolarHBondContact O-N 3.36Å |
| 122 | Y | 71.3 | Confident | 70.7 | Confident | 148 Ų | 148 | 65.2 Ų | 65.2 | 58% | 0.58 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 173.3 | 179.9 | -103.3 | 0 | 0 | 0 | 111.6 | C118 W119 M120 R125 | C118-Y122 PolarHBondContact O-N 3.37Å; W119-Y122 WeakPolarHBondContact O-CB 3.48Å; W119-Y122 PolarHBondContact O-N 2.85Å; M120-Y122 VanDerWaalsContact C-N 3.34Å; M120-Y122 PolarHBondContact O-N 3.36Å; Y122-R125 PolarHBondContact O-N 3.48Å |
| 123 | F | 68 | Low | 69.3 | Low | 83 Ų | 83 | 59.6 Ų | 59.6 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.6 | -170.9 | -102.6 | 0 | 0 | 0 | 112.4 | W119 M120 S121 R125 R126 L127 F175 | W119-F123 PolarHBondContact O-N 3.49Å; M120-F123 WeakPolarHBondContact O-CB 3.22Å; M120-F123 PolarHBondContact O-N 3.14Å; M120-F123 VanDerWaalsContact O-N 3.16Å; S121-F123 VanDerWaalsContact C-N 3.32Å; F123-R125 VanDerWaalsContact C-N 3.32Å; F123-R125 PolarHBondContact O-N 2.69Å; F123-R126 PolarHBondContact O-N 3.21Å; F123-L127 HydrophobicContact CD1-CD1 3.91Å; F123-L127 HydrophobicContact CD1-CG 4.32Å; F123-L127 HydrophobicContact CE1-CD1 3.69Å; F123-L127 HydrophobicContact CE1-CD2 4.15Å; F123-L127 HydrophobicContact CE1-CG 4.06Å; F123-L127 HydrophobicContact CZ-CD2 4.32Å; F123-L127 PolarHBondContact O-N 3.16Å; F123-F175 HydrophobicContact CZ-CE1 4.41Å |
| 124 | F | 62.3 | Low | 68.1 | Low | 22 Ų | 22 | 57.7 Ų | 57.7 | 10% | 0.096 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -36 | 178.8 | -70.3 | -55 | 0 | 0 | 0 | 113.3 | F68 M120 S121 R126 L127 | F68-F124 HydrophobicContact CB-CD1 4.48Å; F68-F124 HydrophobicContact CB-CE1 3.99Å; F68-F124 AromaticContact CD1-CE1 3.52Å; F68-F124 HydrophobicContact CD1-CE1 3.52Å; F68-F124 HydrophobicContact CD1-CZ 4.14Å; F68-F124 HydrophobicContact CE1-CE1 4.31Å; F68-F124 HydrophobicContact CG-CE1 4.04Å; M120-F124 HydrophobicContact CB-CD2 4.47Å; M120-F124 HydrophobicContact CB-CE2 4.04Å; M120-F124 WeakPolarHBondContact O-CD2 3.36Å; M120-F124 WeakPolarHBondContact O-CG 3.38Å; M120-F124 PolarHBondContact O-N 2.92Å; S121-F124 PolarHBondContact O-N 3.45Å; F124-R126 PolarHBondContact O-N 3.04Å; F124-R126 VanDerWaalsContact O-N 3.15Å; F124-L127 HydrophobicContact CD1-CD1 3.98Å; F124-L127 HydrophobicContact CE1-CD1 4.42Å; F124-L127 PolarHBondContact O-N 3.08Å |
| 125 | R | 61 | Low | 66.9 | Low | 155 Ų | 155 | 58.6 Ų | 58.6 | 59% | 0.585 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.1 | -21.8 | 174.5 | -71.1 | 174.8 | -172.7 | -155.8 | 1.8 | 113 | S121 Y122 F123 | S121-R125 WeakPolarHBondContact O-CG 3.28Å; S121-R125 PolarHBondContact O-N 3.36Å; Y122-R125 PolarHBondContact O-N 3.48Å; F123-R125 VanDerWaalsContact C-N 3.32Å; F123-R125 PolarHBondContact O-N 2.69Å |
| 126 | R | 63.7 | Low | 65.2 | Low | 58 Ų | 58 | 57.4 Ų | 57.4 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -5.6 | -177.3 | -145.9 | 164.9 | 166.7 | -164.5 | -7.4 | 113.7 | F123 F124 T186 Y188 | F123-R126 PolarHBondContact O-N 3.21Å; F124-R126 PolarHBondContact O-N 3.04Å; F124-R126 VanDerWaalsContact O-N 3.15Å; R126-T186 WeakPolarHBondContact CG-O 3.45Å; R126-T186 PolarHBondContact NE-O 2.96Å; R126-T186 PolarHBondContact NE-OG1 3.45Å; R126-T186 VanDerWaalsContact NE-OG1 3.12Å; R126-T186 PolarHBondContact NH2-OG1 3.44Å; R126-Y188 HydrophobicContact CB-CD2 4.09Å; R126-Y188 VanDerWaalsContact CD-CE2 3.43Å; R126-Y188 HydrophobicContact CG-CD2 3.57Å; R126-Y188 HydrophobicContact CG-CE2 3.79Å; R126-Y188 PolarHBondContact NH2-OH 2.92Å; R126-Y188 PolarHBondContact O-N 3.37Å |
| 127 | L | 62 | Low | 63.7 | Low | 21 Ų | 21 | 54.6 Ų | 54.6 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -88.1 | 131.8 | 177.6 | -73.3 | 173.5 | 0 | 0 | 0 | 111.7 | F123 F124 | F123-L127 HydrophobicContact CD1-CD1 3.91Å; F123-L127 HydrophobicContact CD1-CG 4.32Å; F123-L127 HydrophobicContact CE1-CD1 3.69Å; F123-L127 HydrophobicContact CE1-CD2 4.15Å; F123-L127 HydrophobicContact CE1-CG 4.06Å; F123-L127 HydrophobicContact CZ-CD2 4.32Å; F123-L127 PolarHBondContact O-N 3.16Å; F124-L127 HydrophobicContact CD1-CD1 3.98Å; F124-L127 HydrophobicContact CE1-CD1 4.42Å; F124-L127 PolarHBondContact O-N 3.08Å |
| 128 | V | 61.3 | Low | 62.4 | Low | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136 | 173 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | L131 V142 H144 F187 Y188 V189 | V128-L131 HydrophobicContact CG1-CD1 3.28Å; V128-V142 HydrophobicContact CB-CG1 4.04Å; V128-V142 HydrophobicContact CG1-CG1 3.22Å; V128-V142 HydrophobicContact CG2-CG1 3.64Å; V128-H144 VanDerWaalsContact CG2-CE1 3.48Å; V128-H144 WeakPolarHBondContact CG2-CE1 2.96Å; V128-F187 HydrophobicContact CG2-CB 3.61Å; V128-F187 HydrophobicContact CG2-CD1 4.48Å; V128-F187 HydrophobicContact CG2-CG 4.29Å; V128-Y188 PolarHBondContact N-O 3.04Å; V128-V189 HydrophobicContact CB-CG2 3.81Å; V128-V189 HydrophobicContact CG1-CG2 3.92Å; V128-V189 HydrophobicContact CG2-CG2 4.06Å |
| 129 | G | 53.9 | Low | 61.3 | Low | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | -14 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | F62 A143 | F62-G129 WeakPolarHBondContact CB-O 3.38Å; F62-G129 PolarHBondContact N-O 3.48Å; G129-A143 PolarHBondContact N-O 3.45Å |
| 130 | I | 61.4 | Low | 60.2 | Low | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 124.7 | 173.5 | -45.6 | 175.7 | 0 | 0 | 0 | 108.6 | M58 Y132 A143 | M58-I130 HydrophobicContact CE-CG2 4.06Å; I130-Y132 HydrophobicContact CB-CE2 4.06Å; I130-Y132 HydrophobicContact CG2-CD2 4.1Å; I130-Y132 HydrophobicContact CG2-CE1 4.39Å; I130-Y132 HydrophobicContact CG2-CE2 3.49Å; I130-Y132 VanDerWaalsContact CG2-CE2 3.49Å; I130-A143 HydrophobicContact CB-CB 3.7Å; I130-A143 HydrophobicContact CG1-CB 4.3Å; I130-A143 PolarHBondContact N-O 3.25Å; I130-A143 PolarHBondContact O-N 3.41Å |
| 131 | L | 65.7 | Low | 59.8 | Low | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.4 | 173.9 | -104.6 | 72.8 | 0 | 0 | 0 | 107.8 | Y60 V128 L140 R141 V142 I178 V189 | Y60-L131 HydrophobicContact CD1-CB 4.25Å; Y60-L131 PolarHBondContact O-N 2.92Å; V128-L131 HydrophobicContact CG1-CD1 3.28Å; L131-L140 HydrophobicContact CD2-CD1 3.95Å; L131-L140 HydrophobicContact CD2-CD2 4.08Å; L131-L140 HydrophobicContact CD2-CG 4.33Å; L131-L140 HydrophobicContact CG-CD1 4.45Å; L131-L140 HydrophobicContact CG-CD2 4.13Å; L131-L140 HydrophobicContact CG-CG 4.36Å; L131-R141 WeakPolarHBondContact CA-O 3.29Å; L131-V142 HydrophobicContact CD1-CG1 4.19Å; L131-I178 HydrophobicContact CD2-CD1 4.23Å; L131-V189 HydrophobicContact CD1-CG2 4.11Å |
| 132 | Y | 62.9 | Low | 59.5 | Low | 26 Ų | 26 | 47 Ų | 47 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.7 | 166.3 | -47.7 | -107.6 | 0 | 0 | 0 | 109.3 | M58 I130 L140 R141 A143 R151 | M58-Y132 HydrophobicContact CE-CD1 4.4Å; M58-Y132 HydrophobicContact CE-CE1 3.31Å; M58-Y132 VanDerWaalsContact CE-CZ 3.45Å; M58-Y132 WeakPolarHBondContact CE-OH 3.35Å; M58-Y132 HydrophobicContact CG-CD1 3.56Å; M58-Y132 HydrophobicContact CG-CE1 3.36Å; M58-Y132 HydrophobicContact SD-CE1 4.13Å; I130-Y132 HydrophobicContact CB-CE2 4.06Å; I130-Y132 HydrophobicContact CG2-CD2 4.1Å; I130-Y132 HydrophobicContact CG2-CE1 4.39Å; I130-Y132 HydrophobicContact CG2-CE2 3.49Å; I130-Y132 VanDerWaalsContact CG2-CE2 3.49Å; Y132-L140 CarbonylContact O-C 3.51Å; Y132-L140 WeakPolarHBondContact O-CA 3.31Å; Y132-R141 HydrophobicContact CD2-CB 4.03Å; Y132-R141 HydrophobicContact CD2-CG 4.08Å; Y132-R141 HydrophobicContact CG-CB 4.36Å; Y132-R141 PolarHBondContact N-O 3.42Å; Y132-R141 PolarHBondContact O-N 3.33Å; Y132-A143 HydrophobicContact CE2-CB 4.33Å; Y132-R151 VanDerWaalsContact OH-CZ 3.3Å; Y132-R151 PolarHBondContact OH-NH2 3.42Å |
| 133 | L | 59 | Low | 58.9 | Low | 18 Ų | 18 | 40 Ų | 40 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135 | 171.6 | -87.5 | 143.6 | 0 | 0 | 0 | 108.2 | W57 F59 L140 L158 V205 | W57-L133 PolarHBondContact N-O 3.27Å; W57-L133 PolarHBondContact O-N 3.07Å; F59-L133 HydrophobicContact CB-CD1 4.02Å; F59-L133 HydrophobicContact CD1-CD1 3.82Å; F59-L133 HydrophobicContact CG-CD1 4.08Å; L133-L140 HydrophobicContact CD1-CD1 4.45Å; L133-L140 HydrophobicContact CD2-CD1 3.96Å; L133-L140 HydrophobicContact CG-CD1 4Å; L133-L158 HydrophobicContact CD2-CD1 4.47Å; L133-V205 HydrophobicContact CD2-CG2 4.41Å |
| 134 | N | 58.2 | Low | 58.4 | Low | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | trans | -71.4 | 147.6 | 166.2 | -167 | 4.2 | 0 | 0 | 0 | 109.8 | E54 F56 S136 G137 M139 | E54-N134 PolarHBondContact OE1-ND2 3.19Å; E54-N134 PolarHBondContact OE2-ND2 3.05Å; F56-N134 HydrophobicContact CD1-CB 4.44Å; F56-N134 HydrophobicContact CE1-CB 4.26Å; N134-S136 PolarHBondContact ND2-OG 3.14Å; N134-S136 VanDerWaalsContact ND2-OG 3.07Å; N134-S136 PolarHBondContact O-N 3.12Å; N134-S136 VanDerWaalsContact O-N 3.15Å; N134-G137 PolarHBondContact O-N 3.24Å; N134-M139 HydrophobicContact CB-CB 4.09Å; N134-M139 PolarHBondContact N-O 2.83Å | ||
| 135 | E | 54.7 | Low | 58 | Low | 108 Ų | 108 | 37.2 Ų | 37.2 | 51% | 0.505 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.5 | 179.6 | -77.6 | -176.7 | 168.4 | 0 | 0 | 112.7 | K55 W57 G137 | K55-E135 HydrophobicContact CB-CG 4.44Å; K55-E135 VanDerWaalsContact CB-OE1 3.26Å; K55-E135 WeakPolarHBondContact CB-OE1 3.42Å; K55-E135 WeakPolarHBondContact O-CG 3.26Å; W57-E135 VanDerWaalsContact CD1-OE1 3.26Å; W57-E135 PolarHBondContact NE1-OE1 2.69Å; E135-G137 PolarHBondContact O-N 3.05Å |
| 136 | S | 49.6 | Very low | 57.7 | Low | 68 Ų | 68 | 31.3 Ų | 31.3 | 48% | 0.476 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | N134 T138 | N134-S136 PolarHBondContact ND2-OG 3.14Å; N134-S136 VanDerWaalsContact ND2-OG 3.07Å; N134-S136 PolarHBondContact O-N 3.12Å; N134-S136 VanDerWaalsContact O-N 3.15Å; S136-T138 PolarHBondContact O-N 2.88Å; S136-T138 VanDerWaalsContact O-N 3.12Å; S136-T138 PolarHBondContact OG-OG1 3.49Å |
| 137 | G | 53.3 | Low | 57 | Low | 30 Ų | 30 | 31.6 Ų | 31.6 | 31% | 0.309 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 64.1 | 12.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N134 E135 L158 | N134-G137 PolarHBondContact O-N 3.24Å; E135-G137 PolarHBondContact O-N 3.05Å; G137-L158 WeakPolarHBondContact O-CB 3.15Å; G137-L158 WeakPolarHBondContact O-CD2 3.31Å |
| 138 | T | 50.9 | Low | 56.6 | Low | 73 Ų | 73 | 38.7 Ų | 38.7 | 45% | 0.448 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -94.8 | -23.6 | -175.4 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | S136 L158 | S136-T138 PolarHBondContact O-N 2.88Å; S136-T138 VanDerWaalsContact O-N 3.12Å; S136-T138 PolarHBondContact OG-OG1 3.49Å; T138-L158 PolarHBondContact O-N 2.92Å |
| 139 | M | 52.8 | Low | 56.1 | Low | 83 Ų | 83 | 39.2 Ų | 39.2 | 41% | 0.409 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.4 | -173.7 | -65.5 | -68.9 | 177.9 | 0 | 0 | 110.9 | N134 P157 | N134-M139 HydrophobicContact CB-CB 4.09Å; N134-M139 PolarHBondContact N-O 2.83Å; M139-P157 HydrophobicContact SD-CB 4.15Å; M139-P157 HydrophobicContact SD-CG 4.39Å |
| 140 | L | 57.3 | Low | 55.8 | Low | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 106.8 | 175.3 | -169.9 | 117.6 | 0 | 0 | 0 | 108.1 | L131 Y132 L133 V142 C156 L158 V161 I178 | L131-L140 HydrophobicContact CD2-CD1 3.95Å; L131-L140 HydrophobicContact CD2-CD2 4.08Å; L131-L140 HydrophobicContact CD2-CG 4.33Å; L131-L140 HydrophobicContact CG-CD1 4.45Å; L131-L140 HydrophobicContact CG-CD2 4.13Å; L131-L140 HydrophobicContact CG-CG 4.36Å; Y132-L140 CarbonylContact O-C 3.51Å; Y132-L140 WeakPolarHBondContact O-CA 3.31Å; L133-L140 HydrophobicContact CD1-CD1 4.45Å; L133-L140 HydrophobicContact CD2-CD1 3.96Å; L133-L140 HydrophobicContact CG-CD1 4Å; L140-V142 HydrophobicContact CD2-CG2 3.35Å; L140-V142 HydrophobicContact CG-CG2 4.37Å; L140-V142 PolarHBondContact O-N 3.49Å; L140-C156 CarbonylContact C-O 3.46Å; L140-C156 WeakPolarHBondContact CA-O 3.47Å; L140-C156 PolarHBondContact N-O 3.19Å; L140-C156 CarbonylContact O-C 3.51Å; L140-C156 WeakPolarHBondContact O-CA 3.25Å; L140-C156 WeakPolarHBondContact O-CB 3.47Å; L140-C156 PolarHBondContact O-N 3.3Å; L140-L158 HydrophobicContact CB-CD1 4.08Å; L140-L158 HydrophobicContact CD1-CD1 3.78Å; L140-V161 HydrophobicContact CD2-CG2 4.49Å; L140-I178 HydrophobicContact CD2-CD1 4.43Å |
| 141 | R | 60.1 | Low | 55.4 | Low | 55 Ų | 55 | 54.1 Ų | 54.1 | 21% | 0.208 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 117 | 174.5 | -172 | -178.2 | 176.3 | 159.1 | 3 | 108 | L131 Y132 D153 Y155 | L131-R141 WeakPolarHBondContact CA-O 3.29Å; Y132-R141 HydrophobicContact CD2-CB 4.03Å; Y132-R141 HydrophobicContact CD2-CG 4.08Å; Y132-R141 HydrophobicContact CG-CB 4.36Å; Y132-R141 PolarHBondContact N-O 3.42Å; Y132-R141 PolarHBondContact O-N 3.33Å; R141-D153 HydrophobicContact CG-CB 4.31Å; R141-D153 IonicContact CZ-OD2 3.45Å; R141-D153 IonicContact NE-OD1 3.76Å; R141-D153 IonicContact NE-OD2 3.5Å; R141-D153 PolarHBondContact NE-OD2 3.28Å; R141-D153 VanDerWaalsContact NH2-CG 3.33Å; R141-D153 IonicContact NH2-OD2 2.67Å; R141-D153 PolarHBondContact NH2-OD2 2.89Å; R141-Y155 HydrophobicContact CB-CD1 4.46Å; R141-Y155 HydrophobicContact CG-CD1 4.19Å; R141-Y155 HydrophobicContact CG-CE1 4.1Å; R141-Y155 PolarHBondContact NH1-OH 2.96Å |
| 142 | V | 61 | Low | 54.6 | Low | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 106.2 | 177.4 | -168.1 | 0 | 0 | 0 | 0 | 107.6 | V128 L131 L140 H144 T154 C156 | V128-V142 HydrophobicContact CB-CG1 4.04Å; V128-V142 HydrophobicContact CG1-CG1 3.22Å; V128-V142 HydrophobicContact CG2-CG1 3.64Å; L131-V142 HydrophobicContact CD1-CG1 4.19Å; L140-V142 HydrophobicContact CD2-CG2 3.35Å; L140-V142 HydrophobicContact CG-CG2 4.37Å; L140-V142 PolarHBondContact O-N 3.49Å; V142-H144 WeakPolarHBondContact CB-NE2 3.45Å; V142-H144 WeakPolarHBondContact CG1-CE1 3.44Å; V142-H144 WeakPolarHBondContact CG1-NE2 3.36Å; V142-H144 PolarHBondContact O-CD2 3.01Å; V142-H144 PolarHBondContact O-N 3.16Å; V142-T154 PolarHBondContact N-O 3.24Å; V142-T154 PolarHBondContact O-N 2.98Å; V142-C156 HydrophobicContact CG2-CB 4.31Å |
| 143 | A | 57.5 | Low | 54.1 | Low | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 111.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | G129 I130 Y132 R151 D153 | G129-A143 PolarHBondContact N-O 3.45Å; I130-A143 HydrophobicContact CB-CB 3.7Å; I130-A143 HydrophobicContact CG1-CB 4.3Å; I130-A143 PolarHBondContact N-O 3.25Å; I130-A143 PolarHBondContact O-N 3.41Å; Y132-A143 HydrophobicContact CE2-CB 4.33Å; A143-R151 HydrophobicContact CB-CG 4.39Å; A143-D153 WeakPolarHBondContact CB-OD1 3.42Å |
| 144 | H | 57.3 | Low | 54 | Low | 16 Ų | 16 | 61.7 Ų | 61.7 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 145.7 | 170 | -62.8 | -80.6 | 0 | 0 | 0 | 109.3 | V128 V142 S146 Q152 T154 F187 | V128-H144 VanDerWaalsContact CG2-CE1 3.48Å; V128-H144 WeakPolarHBondContact CG2-CE1 2.96Å; V142-H144 WeakPolarHBondContact CB-NE2 3.45Å; V142-H144 WeakPolarHBondContact CG1-CE1 3.44Å; V142-H144 WeakPolarHBondContact CG1-NE2 3.36Å; V142-H144 PolarHBondContact O-CD2 3.01Å; V142-H144 PolarHBondContact O-N 3.16Å; H144-S146 PolarHBondContact O-N 2.69Å; H144-Q152 PolarHBondContact N-O 2.91Å; H144-Q152 PolarHBondContact O-N 3.39Å; H144-T154 PolarHBondContact CD2-OG1 2.9Å; H144-F187 AromaticContact CE1-CD1 3.02Å; H144-F187 WeakPolarHBondContact CE1-CD1 3.31Å; H144-F187 AromaticContact CE1-CE1 3.11Å; H144-F187 WeakPolarHBondContact CE1-CE1 3.44Å; H144-F187 AromaticContact CE1-CG 3.49Å; H144-F187 VanDerWaalsContact CE1-CG 3.49Å; H144-F187 WeakPolarHBondContact CE1-CG 3.41Å; H144-F187 AromaticContact CE1-CZ 3.67Å; H144-F187 AromaticContact ND1-CD1 3.62Å; H144-F187 AromaticContact ND1-CE1 3.69Å; H144-F187 AromaticContact NE2-CD1 3.88Å; H144-F187 AromaticContact NE2-CE1 3.56Å; H144-F187 AromaticContact NE2-CZ 3.67Å |
| 145 | L | 55.3 | Low | 53.7 | Low | 30 Ų | 30 | 67.8 Ų | 67.8 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 118.3 | 170.6 | -158.6 | 64.1 | 0 | 0 | 0 | 107.9 | I65 | I65-L145 HydrophobicContact CD1-CB 3.86Å; I65-L145 HydrophobicContact CD1-CD1 3.99Å; I65-L145 HydrophobicContact CD1-CG 4.32Å; I65-L145 HydrophobicContact CG1-CB 4.25Å; I65-L145 HydrophobicContact CG1-CD1 3.98Å; I65-L145 HydrophobicContact CG1-CD2 3.99Å; I65-L145 HydrophobicContact CG1-CG 4.29Å |
| 146 | S | 53.6 | Low | 53.3 | Low | 30 Ų | 30 | 62.8 Ų | 62.8 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 152.8 | 166.5 | 70.4 | 0 | 0 | 0 | 0 | 109.9 | H144 W148 G149 W150 | H144-S146 PolarHBondContact O-N 2.69Å; S146-W148 PolarHBondContact O-N 3.38Å; S146-G149 PolarHBondContact O-N 2.84Å; S146-W150 VanDerWaalsContact CB-O 3.31Å; S146-W150 WeakPolarHBondContact CB-O 3.27Å; S146-W150 PolarHBondContact N-O 3.5Å; S146-W150 VanDerWaalsContact OG-C 3.29Å; S146-W150 WeakPolarHBondContact OG-CA 3.23Å; S146-W150 WeakPolarHBondContact OG-CB 3.44Å; S146-W150 PolarHBondContact OG-N 3.39Å; S146-W150 PolarHBondContact OG-O 2.96Å |
| 147 | F | 49.4 | Very low | 53.4 | Low | 64 Ų | 64 | 61.6 Ų | 61.6 | 28% | 0.281 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | -24.7 | 178.9 | 173.3 | -121.3 | 0 | 0 | 0 | 115.2 | L76 | L76-F147 HydrophobicContact CD1-CE2 4.48Å; L76-F147 HydrophobicContact CD1-CZ 4.39Å; L76-F147 HydrophobicContact CD2-CE2 4.23Å; L76-F147 HydrophobicContact CD2-CZ 3.84Å |
| 148 | W | 54.2 | Low | 53.1 | Low | 170 Ų | 170 | 62 Ų | 62 | 64% | 0.644 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 6.4 | -177.2 | -124.9 | -89.1 | 0 | 0 | 0 | 115 | S146 W150 | S146-W148 PolarHBondContact O-N 3.38Å; W148-W150 VanDerWaalsContact C-N 3.27Å |
| 149 | G | 50.6 | Low | 52.9 | Low | 14 Ų | 14 | 62.8 Ų | 62.8 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 69.1 | 27.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R73 S146 | R73-G149 PolarHBondContact NH2-O 3.29Å; S146-G149 PolarHBondContact O-N 2.84Å |
| 150 | W | 47.4 | Very low | 52.7 | Low | 193 Ų | 193 | 61.3 Ų | 61.3 | 73% | 0.731 | 29% | 0.293 | S | S | * | . | trans | -96.3 | 145.1 | 164.3 | -90 | 34.8 | 0 | 0 | 0 | 109.7 | S146 W148 Q152 | S146-W150 VanDerWaalsContact CB-O 3.31Å; S146-W150 WeakPolarHBondContact CB-O 3.27Å; S146-W150 PolarHBondContact N-O 3.5Å; S146-W150 VanDerWaalsContact OG-C 3.29Å; S146-W150 WeakPolarHBondContact OG-CA 3.23Å; S146-W150 WeakPolarHBondContact OG-CB 3.44Å; S146-W150 PolarHBondContact OG-N 3.39Å; S146-W150 PolarHBondContact OG-O 2.96Å; W148-W150 VanDerWaalsContact C-N 3.27Å; W150-Q152 PolarHBondContact O-N 3.45Å | ||
| 151 | R | 52.1 | Low | 52.4 | Low | 137 Ų | 137 | 62.1 Ų | 62.1 | 52% | 0.517 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.2 | 178.7 | -145.6 | -178.9 | -170.5 | 157 | 4 | 108.2 | Y132 A143 | Y132-R151 VanDerWaalsContact OH-CZ 3.3Å; Y132-R151 PolarHBondContact OH-NH2 3.42Å; A143-R151 HydrophobicContact CB-CG 4.39Å |
| 152 | Q | 48.7 | Very low | 52 | Low | 119 Ų | 119 | 61.4 Ų | 61.4 | 56% | 0.556 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.5 | 170.1 | -84 | -78.3 | -1.9 | 0 | 0 | 107.2 | H144 W150 | H144-Q152 PolarHBondContact N-O 2.91Å; H144-Q152 PolarHBondContact O-N 3.39Å; W150-Q152 PolarHBondContact O-N 3.45Å |
| 153 | D | 53.9 | Low | 51.3 | Low | 44 Ų | 44 | 64 Ų | 64 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 110.1 | -178.6 | -67.1 | -45.9 | 0 | 0 | 0 | 109.6 | R141 A143 | R141-D153 HydrophobicContact CG-CB 4.31Å; R141-D153 IonicContact CZ-OD2 3.45Å; R141-D153 IonicContact NE-OD1 3.76Å; R141-D153 IonicContact NE-OD2 3.5Å; R141-D153 PolarHBondContact NE-OD2 3.28Å; R141-D153 VanDerWaalsContact NH2-CG 3.33Å; R141-D153 IonicContact NH2-OD2 2.67Å; R141-D153 PolarHBondContact NH2-OD2 2.89Å; A143-D153 WeakPolarHBondContact CB-OD1 3.42Å |
| 154 | T | 55.3 | Low | 50.7 | Low | 49 Ų | 49 | 66.4 Ų | 66.4 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.7 | 173.5 | -55.3 | 0 | 0 | 0 | 0 | 108.7 | V142 H144 | V142-T154 PolarHBondContact N-O 3.24Å; V142-T154 PolarHBondContact O-N 2.98Å; H144-T154 PolarHBondContact CD2-OG1 2.9Å |
| 155 | Y | 52.4 | Low | 50.2 | Low | 135 Ų | 135 | 70.8 Ų | 70.8 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 121.1 | 174.2 | -63.2 | -89.3 | 0 | 0 | 0 | 109.4 | R141 R180 | R141-Y155 HydrophobicContact CB-CD1 4.46Å; R141-Y155 HydrophobicContact CG-CD1 4.19Å; R141-Y155 HydrophobicContact CG-CE1 4.1Å; R141-Y155 PolarHBondContact NH1-OH 2.96Å; Y155-R180 PolarHBondContact O-NH2 3.5Å |
| 156 | C | 47.3 | Very low | 49.9 | Very low | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.027 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.7 | 174.2 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | L140 V142 L158 R180 | L140-C156 CarbonylContact C-O 3.46Å; L140-C156 WeakPolarHBondContact CA-O 3.47Å; L140-C156 PolarHBondContact N-O 3.19Å; L140-C156 CarbonylContact O-C 3.51Å; L140-C156 WeakPolarHBondContact O-CA 3.25Å; L140-C156 WeakPolarHBondContact O-CB 3.47Å; L140-C156 PolarHBondContact O-N 3.3Å; V142-C156 HydrophobicContact CG2-CB 4.31Å; C156-L158 PolarHBondContact O-N 2.95Å; C156-R180 PolarHBondContact SG-NH2 2.9Å |
| 157 | P | 50.8 | Low | 49.5 | Very low | 42 Ų | 42 | 76.4 Ų | 76.4 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 133.5 | 167.3 | -14.9 | 28.2 | 0 | 0 | 0 | 109.6 | M139 A159 D160 | M139-P157 HydrophobicContact SD-CB 4.15Å; M139-P157 HydrophobicContact SD-CG 4.39Å; P157-A159 PolarHBondContact O-N 3.39Å; P157-D160 PolarHBondContact O-N 3.46Å; P157-D160 VanDerWaalsContact O-N 3.13Å |
| 158 | L | 46.7 | Very low | 49.2 | Very low | 40 Ų | 40 | 83.6 Ų | 83.6 | 21% | 0.209 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -64.8 | -28 | 177.6 | -167.2 | 73.2 | 0 | 0 | 0 | 111.2 | L133 G137 T138 L140 C156 D160 V161 V205 | L133-L158 HydrophobicContact CD2-CD1 4.47Å; G137-L158 WeakPolarHBondContact O-CB 3.15Å; G137-L158 WeakPolarHBondContact O-CD2 3.31Å; T138-L158 PolarHBondContact O-N 2.92Å; L140-L158 HydrophobicContact CB-CD1 4.08Å; L140-L158 HydrophobicContact CD1-CD1 3.78Å; C156-L158 PolarHBondContact O-N 2.95Å; L158-D160 PolarHBondContact O-N 2.92Å; L158-V161 HydrophobicContact CD1-CB 4.39Å; L158-V161 HydrophobicContact CD1-CG2 4.39Å; L158-V161 WeakPolarHBondContact O-CB 3.39Å; L158-V161 PolarHBondContact O-N 3.4Å; L158-V205 HydrophobicContact CD1-CG1 4.26Å; L158-V205 HydrophobicContact CD2-CG1 4.21Å |
| 159 | A | 48.4 | Very low | 48.4 | Very low | 89 Ų | 89 | 81.1 Ų | 81.1 | 74% | 0.736 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -60.4 | -24 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P157 | P157-A159 PolarHBondContact O-N 3.39Š|
| 160 | D | 47.1 | Very low | 48 | Very low | 52 Ų | 52 | 90.5 Ų | 90.5 | 28% | 0.278 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -95.1 | 0.4 | 177.5 | -76.7 | -21.9 | 0 | 0 | 0 | 113.1 | P157 L158 R180 Y181 | P157-D160 PolarHBondContact O-N 3.46Å; P157-D160 VanDerWaalsContact O-N 3.13Å; L158-D160 PolarHBondContact O-N 2.92Å; D160-R180 HydrophobicContact CB-CG 3.93Å; D160-R180 CarbonylContact O-C 3.6Å; D160-R180 WeakPolarHBondContact O-CA 3.29Å; D160-Y181 PolarHBondContact O-N 3.46Å |
| 161 | V | 52.3 | Low | 47.8 | Very low | 19 Ų | 19 | 86 Ų | 86 | 12% | 0.115 | 44% | 0.438 | C | S | . | . | B | Isolated β-bridge | trans | -90 | 112.4 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 108 | L140 L158 P163 I178 | L140-V161 HydrophobicContact CD2-CG2 4.49Å; L158-V161 HydrophobicContact CD1-CB 4.39Å; L158-V161 HydrophobicContact CD1-CG2 4.39Å; L158-V161 WeakPolarHBondContact O-CB 3.39Å; L158-V161 PolarHBondContact O-N 3.4Å; V161-P163 WeakPolarHBondContact O-CD 3.01Å; V161-P163 VanDerWaalsContact O-N 3.1Å; V161-I178 HydrophobicContact CG1-CG2 3.98Å; V161-I178 HydrophobicContact CG2-CG2 4.18Å |
| 162 | I | 50.8 | Low | 47.2 | Very low | 39 Ų | 39 | 87.5 Ų | 87.5 | 20% | 0.2 | 45% | 0.45 | C | S | . | . | trans | -58.5 | 116.3 | 174.1 | -58.2 | 179.3 | 0 | 0 | 0 | 108.3 | E166 Q179 Y181 | I162-E166 HydrophobicContact CG2-CB 4.22Å; I162-Q179 HydrophobicContact CD1-CB 3.99Å; I162-Q179 PolarHBondContact N-O 2.89Å; I162-Y181 HydrophobicContact CB-CE2 4.22Å; I162-Y181 HydrophobicContact CG1-CD2 3.69Å; I162-Y181 HydrophobicContact CG1-CE1 4.41Å; I162-Y181 HydrophobicContact CG1-CE2 3.5Å; I162-Y181 VanDerWaalsContact CG1-CE2 3.5Å; I162-Y181 HydrophobicContact CG1-CG 4.25Å | ||
| 163 | P | 47 | Very low | 47.1 | Very low | 57 Ų | 57 | 89.9 Ų | 89.9 | 37% | 0.37 | 46% | 0.462 | S | S | . | . | trans | -67.3 | 143.7 | 176.5 | 26.3 | -30.1 | 0 | 0 | 0 | 109.9 | V161 T165 E166 | V161-P163 WeakPolarHBondContact O-CD 3.01Å; V161-P163 VanDerWaalsContact O-N 3.1Å; P163-T165 PolarHBondContact O-N 2.93Å; P163-E166 PolarHBondContact O-N 2.99Å | ||
| 164 | L | 45 | Very low | 46.7 | Very low | 51 Ų | 51 | 90.3 Ų | 90.3 | 27% | 0.267 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.5 | -170.7 | -75 | 93.4 | 0 | 0 | 0 | 114.7 | E166 M176 F206 | L164-E166 PolarHBondContact O-N 3.5Å; L164-M176 HydrophobicContact CD1-CE 3.16Å; L164-M176 HydrophobicContact CD2-CE 3.32Å; L164-M176 HydrophobicContact CD2-CG 3.74Å; L164-M176 HydrophobicContact CD2-SD 4.28Å; L164-M176 HydrophobicContact CG-CE 3.81Å; L164-F206 HydrophobicContact CD1-CB 4.34Å; L164-F206 HydrophobicContact CD1-CD1 3.26Å; L164-F206 HydrophobicContact CD1-CE1 3.86Å; L164-F206 HydrophobicContact CD1-CG 4.19Å |
| 165 | T | 46.4 | Very low | 46.4 | Very low | 109 Ų | 109 | 92.9 Ų | 92.9 | 67% | 0.669 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21 | 173.4 | 33.5 | 0 | 0 | 0 | 0 | 113.2 | P163 | P163-T165 PolarHBondContact O-N 2.93Š|
| 166 | E | 47.7 | Very low | 46.4 | Very low | 126 Ų | 126 | 87.5 Ų | 87.5 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -17.2 | -176 | -154.6 | 174.9 | -179.4 | 0 | 0 | 113.6 | I162 P163 L164 K168 Y181 | I162-E166 HydrophobicContact CG2-CB 4.22Å; P163-E166 PolarHBondContact O-N 2.99Å; L164-E166 PolarHBondContact O-N 3.5Å; E166-K168 PolarHBondContact O-N 3.28Å; E166-K168 VanDerWaalsContact O-N 3.07Å; E166-Y181 PolarHBondContact OE2-OH 3.11Å |
| 167 | T | 46.5 | Very low | 46.8 | Very low | 52 Ų | 52 | 93.5 Ų | 93.5 | 32% | 0.319 | 47% | 0.472 | S | S | . | . | trans | -80.6 | 96.6 | 177.9 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | D169 | T167-D169 HydrophobicContact CG2-CB 3.96Å; T167-D169 PolarHBondContact O-N 3.28Å | ||
| 168 | K | 41.9 | Very low | 47.1 | Very low | 214 Ų | 214 | 92 Ų | 92 | 93% | 0.93 | 46% | 0.462 | S | S | * | . | trans | -68.9 | 23.8 | 177.7 | -145.9 | -179 | -172.7 | 179.8 | 0 | 114.3 | E166 | E166-K168 PolarHBondContact O-N 3.28Å; E166-K168 VanDerWaalsContact O-N 3.07Å | ||
| 169 | D | 39.1 | Very low | 47.5 | Very low | 118 Ų | 118 | 93.1 Ų | 93.1 | 63% | 0.631 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -101.8 | 129.1 | 178.5 | -92.1 | -44.7 | 0 | 0 | 0 | 110.3 | T167 | T167-D169 HydrophobicContact CG2-CB 3.96Å; T167-D169 PolarHBondContact O-N 3.28Å |
| 170 | R | 42.2 | Very low | 47.8 | Very low | 211 Ų | 211 | 92.5 Ų | 92.5 | 80% | 0.796 | 45% | 0.445 | S | S | * | . | trans | -41.5 | 124.9 | -179.3 | -68.9 | 174.1 | 172.1 | 170.9 | -3.1 | 110.5 | Q172 | R170-Q172 HydrophobicContact CB-CG 4.26Å; R170-Q172 PolarHBondContact O-N 3.42Å | ||
| 171 | P | 42.6 | Very low | 48.1 | Very low | 100 Ų | 100 | 96 Ų | 96 | 65% | 0.649 | 46% | 0.455 | S | S | * | . | trans | -72.3 | 79.7 | 173.5 | 31.2 | -32.5 | 0 | 0 | 0 | 107.5 | E173 | P171-E173 WeakPolarHBondContact O-CG 3.33Å; P171-E173 PolarHBondContact O-N 3.37Å | ||
| 172 | Q | 40.3 | Very low | 48.1 | Very low | 167 Ų | 167 | 99.5 Ų | 99.5 | 78% | 0.78 | 48% | 0.48 | S | S | * | . | trans | -77.7 | 61.6 | 164.2 | -61.4 | -154.9 | -32.9 | 0 | 0 | 108.5 | R170 M174 | R170-Q172 HydrophobicContact CB-CG 4.26Å; R170-Q172 PolarHBondContact O-N 3.42Å; Q172-M174 PolarHBondContact O-N 3.31Å | ||
| 173 | E | 46.1 | Very low | 47.9 | Very low | 169 Ų | 169 | 99.8 Ų | 99.8 | 79% | 0.79 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 14.9 | 135.8 | -85 | 175.4 | -170.2 | 0 | 0 | 122.9 | P171 | P171-E173 WeakPolarHBondContact O-CG 3.33Å; P171-E173 PolarHBondContact O-N 3.37Å |
| 174 | M | 45.3 | Very low | 48.1 | Very low | 54 Ų | 54 | 107 Ų | 107 | 27% | 0.266 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.4 | -28.9 | 166.5 | -152.9 | 137.9 | 172.7 | 0 | 0 | 116.3 | Q172 T190 R192 Y193 | Q172-M174 PolarHBondContact O-N 3.31Å; M174-T190 VanDerWaalsContact O-CA 3.27Å; M174-T190 WeakPolarHBondContact O-CA 3.32Å; M174-T190 WeakPolarHBondContact O-CG2 3.49Å; M174-R192 HydrophobicContact CE-CB 4.2Å; M174-R192 HydrophobicContact CE-CG 4.46Å; M174-R192 HydrophobicContact CG-CB 4.39Å; M174-Y193 HydrophobicContact CE-CD2 4Å; M174-Y193 HydrophobicContact CE-CE2 3.21Å |
| 175 | F | 48.3 | Very low | 48.4 | Very low | 102 Ų | 102 | 110.4 Ų | 110.4 | 45% | 0.447 | 53% | 0.533 | S | S | . | . | trans | -122.5 | 108.7 | -174.8 | -58.5 | -96.5 | 0 | 0 | 0 | 110.9 | F123 Y188 V189 T190 | F123-F175 HydrophobicContact CZ-CE1 4.41Å; F175-Y188 HydrophobicContact CB-CD1 3.97Å; F175-V189 CarbonylContact C-O 3.54Å; F175-V189 WeakPolarHBondContact CA-O 3.46Å; F175-T190 HydrophobicContact CB-CG2 4.43Å; F175-T190 HydrophobicContact CD1-CG2 3Å; F175-T190 HydrophobicContact CD2-CG2 4.46Å; F175-T190 HydrophobicContact CE1-CG2 3.1Å; F175-T190 HydrophobicContact CG-CG2 3.73Å; F175-T190 HydrophobicContact CZ-CG2 3.91Å | ||
| 176 | M | 53.2 | Low | 48.9 | Very low | 22 Ų | 22 | 106.9 Ų | 106.9 | 11% | 0.108 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.2 | 174.3 | -161.8 | -170.6 | -167.6 | 0 | 0 | 109.5 | L164 Y188 V189 L191 F202 F206 | L164-M176 HydrophobicContact CD1-CE 3.16Å; L164-M176 HydrophobicContact CD2-CE 3.32Å; L164-M176 HydrophobicContact CD2-CG 3.74Å; L164-M176 HydrophobicContact CD2-SD 4.28Å; L164-M176 HydrophobicContact CG-CE 3.81Å; M176-Y188 CarbonylContact O-C 3.46Å; M176-Y188 WeakPolarHBondContact O-CA 3.4Å; M176-V189 WeakPolarHBondContact CA-O 3.45Å; M176-V189 HydrophobicContact CB-CB 4.28Å; M176-V189 WeakPolarHBondContact CB-O 3.25Å; M176-V189 PolarHBondContact N-O 3.48Å; M176-V189 PolarHBondContact O-N 2.85Å; M176-L191 HydrophobicContact CB-CD1 3.81Å; M176-L191 HydrophobicContact CE-CD1 4.4Å; M176-L191 HydrophobicContact CG-CD1 4.12Å; M176-L191 HydrophobicContact SD-CD1 3.18Å; M176-L191 WeakPolarHBondContact SD-CD1 3.29Å; M176-L191 HydrophobicContact SD-CD2 4.41Å; M176-L191 HydrophobicContact SD-CG 4.4Å; M176-F202 HydrophobicContact CE-CZ 4.21Å; M176-F206 HydrophobicContact CE-CD1 3.44Å; M176-F206 VanDerWaalsContact CE-CD1 3.44Å; M176-F206 HydrophobicContact CE-CD2 4.46Å; M176-F206 HydrophobicContact CE-CE1 3.45Å; M176-F206 VanDerWaalsContact CE-CE1 3.45Å; M176-F206 HydrophobicContact CE-CG 3.92Å; M176-F206 HydrophobicContact CE-CZ 4.02Å |
| 177 | R | 54.6 | Low | 49.6 | Very low | 130 Ų | 130 | 101.4 Ų | 101.4 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.6 | 178.9 | -69.1 | 178.5 | -172.2 | -163.4 | -7.2 | 109.7 | F187 Y188 | R177-F187 CarbonylContact C-O 3.6Å; R177-F187 VanDerWaalsContact CA-O 3.3Å; R177-F187 WeakPolarHBondContact CA-O 3.48Å; R177-Y188 HydrophobicContact CG-CD1 3.64Å; R177-Y188 HydrophobicContact CG-CE1 3.45Å; R177-Y188 VanDerWaalsContact CG-CE1 3.45Å; R177-Y188 PolarHBondContact NH2-OH 3.35Å; R177-Y188 VanDerWaalsContact NH2-OH 3.14Å |
| 178 | I | 57.3 | Low | 50.4 | Low | 11 Ų | 11 | 100.4 Ų | 100.4 | 6% | 0.056 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111 | 166.3 | -60.9 | 179.2 | 0 | 0 | 0 | 106.7 | L131 L140 V161 F187 V189 | L131-I178 HydrophobicContact CD2-CD1 4.23Å; L140-I178 HydrophobicContact CD2-CD1 4.43Å; V161-I178 HydrophobicContact CG1-CG2 3.98Å; V161-I178 HydrophobicContact CG2-CG2 4.18Å; I178-F187 HydrophobicContact CB-CB 4.36Å; I178-F187 PolarHBondContact N-O 3.01Å; I178-F187 PolarHBondContact O-N 2.91Å; I178-V189 HydrophobicContact CD1-CG2 3.52Å; I178-V189 HydrophobicContact CG1-CG2 4.02Å |
| 179 | Q | 56.6 | Low | 51.3 | Low | 64 Ų | 64 | 90.4 Ų | 90.4 | 30% | 0.299 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.9 | 172.2 | -51.4 | -160.3 | 46.5 | 0 | 0 | 108.5 | I162 T186 | I162-Q179 HydrophobicContact CD1-CB 3.99Å; I162-Q179 PolarHBondContact N-O 2.89Å; Q179-T186 HydrophobicContact CG-CG2 3.97Å |
| 180 | R | 54.6 | Low | 52.1 | Low | 75 Ų | 75 | 85.1 Ų | 85.1 | 28% | 0.283 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -83.5 | 130.7 | 173.5 | -169.5 | -177 | -91.2 | -167.6 | -7.8 | 109.4 | Y155 C156 D160 S182 G183 | Y155-R180 PolarHBondContact O-NH2 3.5Å; C156-R180 PolarHBondContact SG-NH2 2.9Å; D160-R180 HydrophobicContact CB-CG 3.93Å; D160-R180 CarbonylContact O-C 3.6Å; D160-R180 WeakPolarHBondContact O-CA 3.29Å; R180-S182 PolarHBondContact O-N 2.83Å; R180-S182 VanDerWaalsContact O-N 3.16Å; R180-G183 PolarHBondContact O-N 2.97Å; R180-G183 VanDerWaalsContact O-N 3.09Å |
| 181 | Y | 51.8 | Low | 52.5 | Low | 126 Ų | 126 | 76.7 Ų | 76.7 | 49% | 0.494 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -32.2 | 175.3 | -94.8 | -81.6 | 0 | 0 | 0 | 113 | D160 I162 E166 G183 | D160-Y181 PolarHBondContact O-N 3.46Å; I162-Y181 HydrophobicContact CB-CE2 4.22Å; I162-Y181 HydrophobicContact CG1-CD2 3.69Å; I162-Y181 HydrophobicContact CG1-CE1 4.41Å; I162-Y181 HydrophobicContact CG1-CE2 3.5Å; I162-Y181 VanDerWaalsContact CG1-CE2 3.5Å; I162-Y181 HydrophobicContact CG1-CG 4.25Å; E166-Y181 PolarHBondContact OE2-OH 3.11Å; Y181-G183 PolarHBondContact O-N 3.36Å |
| 182 | S | 52.5 | Low | 52.6 | Low | 92 Ų | 92 | 81 Ų | 81 | 64% | 0.643 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 1.2 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 115.4 | R180 | R180-S182 PolarHBondContact O-N 2.83Å; R180-S182 VanDerWaalsContact O-N 3.16Å |
| 183 | G | 47.9 | Very low | 52.9 | Low | 45 Ų | 45 | 80.3 Ų | 80.3 | 46% | 0.464 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 87.1 | 131.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R180 Y181 | R180-G183 PolarHBondContact O-N 2.97Å; R180-G183 VanDerWaalsContact O-N 3.09Å; Y181-G183 PolarHBondContact O-N 3.36Å |
| 184 | K | 50.4 | Low | 53.1 | Low | 210 Ų | 210 | 73 Ų | 73 | 91% | 0.913 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 93.7 | -20.3 | 163.8 | -52.4 | -178.4 | -178 | -180 | 0 | 119.2 | ||
| 185 | Q | 52.2 | Low | 53.4 | Low | 122 Ų | 122 | 76.9 Ų | 76.9 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | trans | -103.2 | 118.4 | 175.2 | -62.1 | -165.1 | 28 | 0 | 0 | 111.2 | F187 | Q185-F187 HydrophobicContact CB-CE1 4.29Å; Q185-F187 HydrophobicContact CB-CE2 3.88Å; Q185-F187 HydrophobicContact CB-CZ 3.72Å | ||
| 186 | T | 56.7 | Low | 53.9 | Low | 34 Ų | 34 | 74.1 Ų | 74.1 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116 | 179.3 | 44 | 0 | 0 | 0 | 0 | 108 | R126 Q179 | R126-T186 WeakPolarHBondContact CG-O 3.45Å; R126-T186 PolarHBondContact NE-O 2.96Å; R126-T186 PolarHBondContact NE-OG1 3.45Å; R126-T186 VanDerWaalsContact NE-OG1 3.12Å; R126-T186 PolarHBondContact NH2-OG1 3.44Å; Q179-T186 HydrophobicContact CG-CG2 3.97Å |
| 187 | F | 62.5 | Low | 54.2 | Low | 12 Ų | 12 | 78.5 Ų | 78.5 | 5% | 0.053 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.1 | -174.2 | -61.5 | -64.2 | 0 | 0 | 0 | 110.6 | V128 H144 R177 I178 Q185 | V128-F187 HydrophobicContact CG2-CB 3.61Å; V128-F187 HydrophobicContact CG2-CD1 4.48Å; V128-F187 HydrophobicContact CG2-CG 4.29Å; H144-F187 AromaticContact CE1-CD1 3.02Å; H144-F187 WeakPolarHBondContact CE1-CD1 3.31Å; H144-F187 AromaticContact CE1-CE1 3.11Å; H144-F187 WeakPolarHBondContact CE1-CE1 3.44Å; H144-F187 AromaticContact CE1-CG 3.49Å; H144-F187 VanDerWaalsContact CE1-CG 3.49Å; H144-F187 WeakPolarHBondContact CE1-CG 3.41Å; H144-F187 AromaticContact CE1-CZ 3.67Å; H144-F187 AromaticContact ND1-CD1 3.62Å; H144-F187 AromaticContact ND1-CE1 3.69Å; H144-F187 AromaticContact NE2-CD1 3.88Å; H144-F187 AromaticContact NE2-CE1 3.56Å; H144-F187 AromaticContact NE2-CZ 3.67Å; R177-F187 CarbonylContact C-O 3.6Å; R177-F187 VanDerWaalsContact CA-O 3.3Å; R177-F187 WeakPolarHBondContact CA-O 3.48Å; I178-F187 HydrophobicContact CB-CB 4.36Å; I178-F187 PolarHBondContact N-O 3.01Å; I178-F187 PolarHBondContact O-N 2.91Å; Q185-F187 HydrophobicContact CB-CE1 4.29Å; Q185-F187 HydrophobicContact CB-CE2 3.88Å; Q185-F187 HydrophobicContact CB-CZ 3.72Å |
| 188 | Y | 62.8 | Low | 54.4 | Low | 31 Ų | 31 | 75.4 Ų | 75.4 | 12% | 0.122 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.4 | 176.7 | -66.1 | -80.5 | 0 | 0 | 0 | 110.7 | R126 V128 F175 M176 R177 | R126-Y188 HydrophobicContact CB-CD2 4.09Å; R126-Y188 VanDerWaalsContact CD-CE2 3.43Å; R126-Y188 HydrophobicContact CG-CD2 3.57Å; R126-Y188 HydrophobicContact CG-CE2 3.79Å; R126-Y188 PolarHBondContact NH2-OH 2.92Å; R126-Y188 PolarHBondContact O-N 3.37Å; V128-Y188 PolarHBondContact N-O 3.04Å; F175-Y188 HydrophobicContact CB-CD1 3.97Å; M176-Y188 CarbonylContact O-C 3.46Å; M176-Y188 WeakPolarHBondContact O-CA 3.4Å; R177-Y188 HydrophobicContact CG-CD1 3.64Å; R177-Y188 HydrophobicContact CG-CE1 3.45Å; R177-Y188 VanDerWaalsContact CG-CE1 3.45Å; R177-Y188 PolarHBondContact NH2-OH 3.35Å; R177-Y188 VanDerWaalsContact NH2-OH 3.14Å |
| 189 | V | 60.7 | Low | 54.5 | Low | 4 Ų | 4 | 81.5 Ų | 81.5 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.7 | 171.6 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | Y60 V128 L131 F175 M176 I178 L191 | Y60-V189 HydrophobicContact CE1-CG1 4.06Å; V128-V189 HydrophobicContact CB-CG2 3.81Å; V128-V189 HydrophobicContact CG1-CG2 3.92Å; V128-V189 HydrophobicContact CG2-CG2 4.06Å; L131-V189 HydrophobicContact CD1-CG2 4.11Å; F175-V189 CarbonylContact C-O 3.54Å; F175-V189 WeakPolarHBondContact CA-O 3.46Å; M176-V189 WeakPolarHBondContact CA-O 3.45Å; M176-V189 HydrophobicContact CB-CB 4.28Å; M176-V189 WeakPolarHBondContact CB-O 3.25Å; M176-V189 PolarHBondContact N-O 3.48Å; M176-V189 PolarHBondContact O-N 2.85Å; I178-V189 HydrophobicContact CD1-CG2 3.52Å; I178-V189 HydrophobicContact CG1-CG2 4.02Å; V189-L191 HydrophobicContact CG1-CD1 4.32Å |
| 190 | T | 55 | Low | 54.6 | Low | 6 Ų | 6 | 85.9 Ų | 85.9 | 4% | 0.037 | 41% | 0.406 | C | S | . | . | trans | -112.5 | 102.9 | -177.3 | 33.7 | 0 | 0 | 0 | 0 | 111.6 | Y60 F62 M174 F175 R192 | Y60-T190 PolarHBondContact OH-O 2.7Å; F62-T190 WeakPolarHBondContact CE2-O 3.44Å; F62-T190 WeakPolarHBondContact CE2-OG1 3.26Å; F62-T190 WeakPolarHBondContact CZ-OG1 3.38Å; M174-T190 VanDerWaalsContact O-CA 3.27Å; M174-T190 WeakPolarHBondContact O-CA 3.32Å; M174-T190 WeakPolarHBondContact O-CG2 3.49Å; F175-T190 HydrophobicContact CB-CG2 4.43Å; F175-T190 HydrophobicContact CD1-CG2 3Å; F175-T190 HydrophobicContact CD2-CG2 4.46Å; F175-T190 HydrophobicContact CE1-CG2 3.1Å; F175-T190 HydrophobicContact CG-CG2 3.73Å; F175-T190 HydrophobicContact CZ-CG2 3.91Å; T190-R192 VanDerWaalsContact C-N 3.3Å; T190-R192 PolarHBondContact O-N 3.38Å | ||
| 191 | L | 51.8 | Low | 54.8 | Low | 34 Ų | 34 | 88.4 Ų | 88.4 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -65.2 | -29.5 | -172.6 | -99.6 | 67 | 0 | 0 | 0 | 114.2 | M176 V189 Y193 G194 F202 M211 | M176-L191 HydrophobicContact CB-CD1 3.81Å; M176-L191 HydrophobicContact CE-CD1 4.4Å; M176-L191 HydrophobicContact CG-CD1 4.12Å; M176-L191 HydrophobicContact SD-CD1 3.18Å; M176-L191 WeakPolarHBondContact SD-CD1 3.29Å; M176-L191 HydrophobicContact SD-CD2 4.41Å; M176-L191 HydrophobicContact SD-CG 4.4Å; V189-L191 HydrophobicContact CG1-CD1 4.32Å; L191-Y193 PolarHBondContact O-N 2.93Å; L191-G194 PolarHBondContact O-N 3.48Å; L191-F202 HydrophobicContact CD1-CZ 4.46Å; L191-F202 HydrophobicContact CD2-CE1 4.19Å; L191-F202 HydrophobicContact CD2-CZ 3.77Å; L191-F202 HydrophobicContact CG-CZ 4.24Å; L191-M211 HydrophobicContact CD2-SD 3.9Å |
| 192 | R | 44.8 | Very low | 55.2 | Low | 191 Ų | 191 | 83.4 Ų | 83.4 | 72% | 0.721 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -70.2 | -23 | -168.5 | -160.5 | 173.9 | -176 | -176.9 | 2.1 | 115.2 | M174 T190 | M174-R192 HydrophobicContact CE-CB 4.2Å; M174-R192 HydrophobicContact CE-CG 4.46Å; M174-R192 HydrophobicContact CG-CB 4.39Å; T190-R192 VanDerWaalsContact C-N 3.3Å; T190-R192 PolarHBondContact O-N 3.38Å |
| 193 | Y | 45.9 | Very low | 55.6 | Low | 153 Ų | 153 | 81.4 Ų | 81.4 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -113.2 | 12.3 | 178.9 | -59.3 | -85 | 0 | 0 | 0 | 113.8 | F62 M174 L191 | F62-Y193 VanDerWaalsContact CE2-CB 3.49Å; F62-Y193 HydrophobicContact CE2-CD2 4.35Å; F62-Y193 HydrophobicContact CE2-CG 4.4Å; F62-Y193 HydrophobicContact CZ-CD2 4.47Å; M174-Y193 HydrophobicContact CE-CD2 4Å; M174-Y193 HydrophobicContact CE-CE2 3.21Å; L191-Y193 PolarHBondContact O-N 2.93Å |
| 194 | G | 49.6 | Very low | 56.1 | Low | 15 Ų | 15 | 86.9 Ų | 86.9 | 16% | 0.155 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y60 L191 I196 | Y60-G194 VanDerWaalsContact CE2-CA 3.5Å; L191-G194 PolarHBondContact O-N 3.48Å; G194-I196 PolarHBondContact O-N 3.15Å |
| 195 | H | 52.3 | Low | 56.5 | Low | 136 Ų | 136 | 79.3 Ų | 79.3 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 110.2 | 169.7 | -154.4 | -84.1 | 0 | 0 | 0 | 107.9 | R61 L197 | R61-H195 PolarHBondContact O-N 3.02Å; H195-L197 PolarHBondContact O-N 3.28Å |
| 196 | I | 57.8 | Low | 56.9 | Low | 43 Ų | 43 | 74.3 Ų | 74.3 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 105.1 | 176.5 | -57.5 | 170.6 | 0 | 0 | 0 | 106.2 | G194 D198 R199 F212 | G194-I196 PolarHBondContact O-N 3.15Å; I196-D198 VanDerWaalsContact C-N 3.27Å; I196-D198 WeakPolarHBondContact CG2-O 3.4Å; I196-R199 HydrophobicContact CG2-CB 4.36Å; I196-R199 HydrophobicContact CG2-CG 4.21Å; I196-F212 HydrophobicContact CD1-CE1 4Å; I196-F212 HydrophobicContact CD1-CE2 4.37Å; I196-F212 HydrophobicContact CD1-CZ 3.41Å; I196-F212 VanDerWaalsContact CD1-CZ 3.41Å |
| 197 | L | 60.1 | Low | 56.7 | Low | 114 Ų | 114 | 74.2 Ų | 74.2 | 60% | 0.597 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -70.9 | -27.7 | 179.6 | -82.6 | 109.7 | 0 | 0 | 0 | 112.1 | H195 | H195-L197 PolarHBondContact O-N 3.28Š|
| 198 | D | 59.2 | Low | 55.8 | Low | 65 Ų | 65 | 84.8 Ų | 84.8 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | trans | -149.4 | 122 | -175 | -172.7 | -3.2 | 0 | 0 | 0 | 107.6 | F59 I196 R201 | F59-D198 HydrophobicContact CD2-CB 4.08Å; F59-D198 HydrophobicContact CE2-CB 3.61Å; F59-D198 WeakPolarHBondContact CE2-O 3.4Å; F59-D198 WeakPolarHBondContact CZ-O 2.78Å; I196-D198 VanDerWaalsContact C-N 3.27Å; I196-D198 WeakPolarHBondContact CG2-O 3.4Å; D198-R201 IonicContact OD2-NE 3.86Å | ||
| 199 | R | 59.7 | Low | 55.1 | Low | 139 Ų | 139 | 87.1 Ų | 87.1 | 53% | 0.525 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -93.9 | -29.9 | -165.9 | -143.9 | -179.3 | -170.4 | -167.8 | 9.7 | 111.8 | I196 F202 T203 | I196-R199 HydrophobicContact CG2-CB 4.36Å; I196-R199 HydrophobicContact CG2-CG 4.21Å; R199-F202 WeakPolarHBondContact O-CB 3.44Å; R199-F202 PolarHBondContact O-N 3.28Å; R199-T203 PolarHBondContact O-N 3.25Å; R199-T203 PolarHBondContact O-OG1 3.11Å; R199-T203 VanDerWaalsContact O-OG1 3.14Å |
| 200 | E | 59 | Low | 54.2 | Low | 157 Ų | 157 | 96.6 Ų | 96.6 | 73% | 0.734 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.6 | -42 | -172.7 | -63.5 | -164.9 | 161.7 | 0 | 0 | 112.1 | F202 T203 Q204 | E200-F202 PolarHBondContact O-N 2.92Å; E200-T203 WeakPolarHBondContact CA-OG1 3.34Å; E200-T203 PolarHBondContact O-N 2.93Å; E200-T203 PolarHBondContact O-OG1 3.41Å; E200-Q204 PolarHBondContact O-N 3.22Å |
| 201 | R | 57.7 | Low | 53.8 | Low | 128 Ų | 128 | 100.8 Ų | 100.8 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.1 | -21.4 | 176.2 | -58.8 | -174.4 | -179.5 | -158.3 | 0.4 | 112.5 | F59 D198 Q204 V205 | F59-R201 HydrophobicContact CD2-CB 4.4Å; F59-R201 HydrophobicContact CE2-CB 3.63Å; F59-R201 HydrophobicContact CZ-CB 3.94Å; D198-R201 IonicContact OD2-NE 3.86Å; R201-Q204 PolarHBondContact O-N 2.94Å; R201-V205 WeakPolarHBondContact O-CG2 3.41Å; R201-V205 PolarHBondContact O-N 2.98Å |
| 202 | F | 60.8 | Low | 53.2 | Low | 21 Ų | 21 | 104.1 Ų | 104.1 | 9% | 0.092 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -70.1 | -49.1 | 178.2 | -169.3 | -84.2 | 0 | 0 | 0 | 107.2 | F59 M176 L191 R199 E200 Q204 V205 F206 | F59-F202 HydrophobicContact CD1-CD2 4.3Å; F59-F202 HydrophobicContact CE1-CB 3.38Å; F59-F202 AromaticContact CE1-CD2 3.47Å; F59-F202 HydrophobicContact CE1-CD2 3.47Å; F59-F202 VanDerWaalsContact CE1-CD2 3.47Å; F59-F202 AromaticContact CE1-CG 3.86Å; F59-F202 HydrophobicContact CE1-CG 3.86Å; F59-F202 HydrophobicContact CZ-CB 3.37Å; F59-F202 HydrophobicContact CZ-CD2 4.29Å; F59-F202 HydrophobicContact CZ-CG 4.32Å; M176-F202 HydrophobicContact CE-CZ 4.21Å; L191-F202 HydrophobicContact CD1-CZ 4.46Å; L191-F202 HydrophobicContact CD2-CE1 4.19Å; L191-F202 HydrophobicContact CD2-CZ 3.77Å; L191-F202 HydrophobicContact CG-CZ 4.24Å; R199-F202 WeakPolarHBondContact O-CB 3.44Å; R199-F202 PolarHBondContact O-N 3.28Å; E200-F202 PolarHBondContact O-N 2.92Å; F202-Q204 PolarHBondContact O-N 3.01Å; F202-V205 PolarHBondContact O-N 3.04Å; F202-F206 HydrophobicContact CD1-CB 4.27Å; F202-F206 AromaticContact CD1-CD2 3.74Å; F202-F206 HydrophobicContact CD1-CD2 3.74Å; F202-F206 HydrophobicContact CD1-CG 4.4Å; F202-F206 AromaticContact CD2-CD2 3.76Å; F202-F206 HydrophobicContact CD2-CD2 3.76Å; F202-F206 AromaticContact CD2-CE2 3.86Å; F202-F206 HydrophobicContact CD2-CE2 3.86Å; F202-F206 HydrophobicContact CE1-CB 3.99Å; F202-F206 AromaticContact CE1-CD2 3.53Å; F202-F206 HydrophobicContact CE1-CD2 3.53Å; F202-F206 HydrophobicContact CE1-CE2 4.29Å; F202-F206 AromaticContact CE1-CG 3.97Å; F202-F206 HydrophobicContact CE1-CG 3.97Å; F202-F206 AromaticContact CE2-CD2 3.5Å; F202-F206 HydrophobicContact CE2-CD2 3.5Å; F202-F206 AromaticContact CE2-CE2 3.43Å; F202-F206 HydrophobicContact CE2-CE2 3.43Å; F202-F206 VanDerWaalsContact CE2-CE2 3.43Å; F202-F206 HydrophobicContact CE2-CZ 4.42Å; F202-F206 AromaticContact CG-CD2 3.82Å; F202-F206 HydrophobicContact CG-CD2 3.82Å; F202-F206 HydrophobicContact CG-CE2 4.39Å; F202-F206 AromaticContact CZ-CD2 3.36Å; F202-F206 HydrophobicContact CZ-CD2 3.36Å; F202-F206 AromaticContact CZ-CE2 3.66Å; F202-F206 HydrophobicContact CZ-CE2 3.66Å; F202-F206 HydrophobicContact CZ-CG 4.01Å; F202-F206 HydrophobicContact CZ-CZ 4.5Å; F202-F206 WeakPolarHBondContact O-CB 3.47Å; F202-F206 WeakPolarHBondContact O-CD2 3.32Å; F202-F206 PolarHBondContact O-N 3.45Å |
| 203 | T | 60.3 | Low | 52.6 | Low | 50 Ų | 50 | 108.2 Ų | 108.2 | 31% | 0.307 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -24.9 | 174.9 | 39.7 | 0 | 0 | 0 | 0 | 113.2 | R199 E200 G207 R208 | R199-T203 PolarHBondContact O-N 3.25Å; R199-T203 PolarHBondContact O-OG1 3.11Å; R199-T203 VanDerWaalsContact O-OG1 3.14Å; E200-T203 WeakPolarHBondContact CA-OG1 3.34Å; E200-T203 PolarHBondContact O-N 2.93Å; E200-T203 PolarHBondContact O-OG1 3.41Å; T203-G207 CarbonylContact O-C 2.97Å; T203-G207 WeakPolarHBondContact O-CA 3.5Å; T203-G207 PolarHBondContact O-N 3.21Å; T203-G207 VanDerWaalsContact O-N 3.08Å; T203-R208 PolarHBondContact O-N 3.34Å |
| 204 | Q | 59.9 | Low | 52.9 | Low | 159 Ų | 159 | 106 Ų | 106 | 74% | 0.743 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -75.1 | -40.9 | 174.9 | -165.6 | 176.4 | 9.3 | 0 | 0 | 112.2 | E200 R201 F202 | E200-Q204 PolarHBondContact O-N 3.22Å; R201-Q204 PolarHBondContact O-N 2.94Å; F202-Q204 PolarHBondContact O-N 3.01Å |
| 205 | V | 58.8 | Low | 53.1 | Low | 51 Ų | 51 | 110.8 Ų | 110.8 | 31% | 0.309 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -80.2 | -41.7 | -179.4 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | L133 L158 R201 F202 | L133-V205 HydrophobicContact CD2-CG2 4.41Å; L158-V205 HydrophobicContact CD1-CG1 4.26Å; L158-V205 HydrophobicContact CD2-CG1 4.21Å; R201-V205 WeakPolarHBondContact O-CG2 3.41Å; R201-V205 PolarHBondContact O-N 2.98Å; F202-V205 PolarHBondContact O-N 3.04Å |
| 206 | F | 58.8 | Low | 53.1 | Low | 18 Ų | 18 | 109.4 Ų | 109.4 | 8% | 0.079 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -96.4 | 0.3 | -176.3 | -65.1 | -68.9 | 0 | 0 | 0 | 113.3 | L164 M176 F202 H209 | L164-F206 HydrophobicContact CD1-CB 4.34Å; L164-F206 HydrophobicContact CD1-CD1 3.26Å; L164-F206 HydrophobicContact CD1-CE1 3.86Å; L164-F206 HydrophobicContact CD1-CG 4.19Å; M176-F206 HydrophobicContact CE-CD1 3.44Å; M176-F206 VanDerWaalsContact CE-CD1 3.44Å; M176-F206 HydrophobicContact CE-CD2 4.46Å; M176-F206 HydrophobicContact CE-CE1 3.45Å; M176-F206 VanDerWaalsContact CE-CE1 3.45Å; M176-F206 HydrophobicContact CE-CG 3.92Å; M176-F206 HydrophobicContact CE-CZ 4.02Å; F202-F206 HydrophobicContact CD1-CB 4.27Å; F202-F206 AromaticContact CD1-CD2 3.74Å; F202-F206 HydrophobicContact CD1-CD2 3.74Å; F202-F206 HydrophobicContact CD1-CG 4.4Å; F202-F206 AromaticContact CD2-CD2 3.76Å; F202-F206 HydrophobicContact CD2-CD2 3.76Å; F202-F206 AromaticContact CD2-CE2 3.86Å; F202-F206 HydrophobicContact CD2-CE2 3.86Å; F202-F206 HydrophobicContact CE1-CB 3.99Å; F202-F206 AromaticContact CE1-CD2 3.53Å; F202-F206 HydrophobicContact CE1-CD2 3.53Å; F202-F206 HydrophobicContact CE1-CE2 4.29Å; F202-F206 AromaticContact CE1-CG 3.97Å; F202-F206 HydrophobicContact CE1-CG 3.97Å; F202-F206 AromaticContact CE2-CD2 3.5Å; F202-F206 HydrophobicContact CE2-CD2 3.5Å; F202-F206 AromaticContact CE2-CE2 3.43Å; F202-F206 HydrophobicContact CE2-CE2 3.43Å; F202-F206 VanDerWaalsContact CE2-CE2 3.43Å; F202-F206 HydrophobicContact CE2-CZ 4.42Å; F202-F206 AromaticContact CG-CD2 3.82Å; F202-F206 HydrophobicContact CG-CD2 3.82Å; F202-F206 HydrophobicContact CG-CE2 4.39Å; F202-F206 AromaticContact CZ-CD2 3.36Å; F202-F206 HydrophobicContact CZ-CD2 3.36Å; F202-F206 AromaticContact CZ-CE2 3.66Å; F202-F206 HydrophobicContact CZ-CE2 3.66Å; F202-F206 HydrophobicContact CZ-CG 4.01Å; F202-F206 HydrophobicContact CZ-CZ 4.5Å; F202-F206 WeakPolarHBondContact O-CB 3.47Å; F202-F206 WeakPolarHBondContact O-CD2 3.32Å; F202-F206 PolarHBondContact O-N 3.45Å; F206-H209 PolarHBondContact O-CD2 2.97Å; F206-H209 PolarHBondContact O-NE2 3.46Å |
| 207 | G | 53.4 | Low | 52.9 | Low | 31 Ų | 31 | 113.3 Ų | 113.3 | 32% | 0.32 | 52% | 0.521 | S | S | . | . | trans | 77.6 | 161.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T203 H209 | T203-G207 CarbonylContact O-C 2.97Å; T203-G207 WeakPolarHBondContact O-CA 3.5Å; T203-G207 PolarHBondContact O-N 3.21Å; T203-G207 VanDerWaalsContact O-N 3.08Å; G207-H209 PolarHBondContact O-N 3.11Å | ||
| 208 | R | 44.1 | Very low | 52.4 | Low | 235 Ų | 235 | 113.3 Ų | 113.3 | 89% | 0.887 | 52% | 0.517 | S | S | * | . | trans | -73.3 | 64.4 | 178.7 | -159.7 | -168 | -63.3 | 146.3 | -1.9 | 110.2 | T203 Q210 | T203-R208 PolarHBondContact O-N 3.34Å; R208-Q210 PolarHBondContact O-N 3.02Å | ||
| 209 | H | 48.1 | Very low | 52 | Low | 79 Ų | 79 | 116.5 Ų | 116.5 | 37% | 0.366 | 53% | 0.528 | S | S | . | . | trans | -72.2 | 123.6 | 169.4 | -74 | -65.3 | 0 | 0 | 0 | 108.3 | F206 G207 M211 | F206-H209 PolarHBondContact O-CD2 2.97Å; F206-H209 PolarHBondContact O-NE2 3.46Å; G207-H209 PolarHBondContact O-N 3.11Å; H209-M211 HydrophobicContact CB-CB 4.44Å; H209-M211 PolarHBondContact O-N 2.78Å | ||
| 210 | Q | 41.4 | Very low | 51.4 | Low | 203 Ų | 203 | 114.9 Ų | 114.9 | 95% | 0.949 | 53% | 0.528 | S | S | * | . | trans | -65.2 | 65.3 | 171 | -73.9 | -176.8 | -29.5 | 0 | 0 | 110.5 | R208 | R208-Q210 PolarHBondContact O-N 3.02Š| ||
| 211 | M | 46.6 | Very low | 50.8 | Low | 95 Ų | 95 | 111.6 Ų | 111.6 | 47% | 0.468 | 51% | 0.512 | S | S | . | . | trans | -102.1 | 9.1 | -170.8 | -135.3 | 179.4 | -168.3 | 0 | 0 | 113.2 | L191 H209 | L191-M211 HydrophobicContact CD2-SD 3.9Å; H209-M211 HydrophobicContact CB-CB 4.44Å; H209-M211 PolarHBondContact O-N 2.78Å | ||
| 212 | F | 39.9 | Very low | 50.3 | Low | 103 Ų | 103 | 110.3 Ų | 110.3 | 45% | 0.452 | 52% | 0.515 | S | S | . | . | trans | -135.4 | 85.9 | 178.2 | -58.9 | -77.6 | 0 | 0 | 0 | 109.7 | I196 | I196-F212 HydrophobicContact CD1-CE1 4Å; I196-F212 HydrophobicContact CD1-CE2 4.37Å; I196-F212 HydrophobicContact CD1-CZ 3.41Å; I196-F212 VanDerWaalsContact CD1-CZ 3.41Å | ||
| 213 | K | 31.2 | Very low | 49.3 | Very low | 278 Ų | 278 | 118.4 Ų | 118.4 | 100% | 1.209 | 55% | 0.553 | S | S | * | * | trans | -119.6 | 0 | 156.5 | -168.8 | 176.2 | -178 | 179.2 | 0 | 108 |
Retrieved 213 of 213 residues in 65.8 ms
(Link to these results)