| 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 | 44.9 | Very low | 40.2 | Very low | 252 Ų | 252 | 136.5 Ų | 136.5 | 100% | 1.241 | 86% | 0.858 | S | S | * | * | 0 | 150.9 | 0 | -83.7 | -175.6 | 164.2 | 0 | 0 | 108.3 | |||||
| 2 | G | 37.3 | Very low | 40.3 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 84% | 0.835 | 85% | 0.853 | S | S | * | * | trans | 88 | 122.9 | -161 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | G | 43.8 | Very low | 40.3 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | cis | 116.6 | 105.3 | 9.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | G | 34.3 | Very low | 40.3 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -164.8 | 110.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 5 | D | 38.1 | Very low | 39.9 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -56.4 | 139.2 | -165 | -60.1 | -105.3 | 0 | 0 | 0 | 117.5 | A7 | D5-A7 PolarHBondContact O-N 2.79Š| ||
| 6 | G | 43.7 | Very low | 39.8 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -84.7 | 103.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | A | 37.3 | Very low | 39.9 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | -93.5 | 104.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D5 F9 | D5-A7 PolarHBondContact O-N 2.79Å; A7-F9 PolarHBondContact O-N 2.68Å | ||
| 8 | A | 45.2 | Very low | 40 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -70.9 | 107.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K10 | A8-K10 VanDerWaalsContact C-N 3.27Å; A8-K10 PolarHBondContact O-N 3.19Å | ||
| 9 | F | 33.8 | Very low | 40.1 | Very low | 177 Ų | 177 | 126.2 Ų | 126.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -81.4 | 72.2 | 176.9 | -133.6 | -80 | 0 | 0 | 0 | 112.1 | A7 R11 | A7-F9 PolarHBondContact O-N 2.68Å; F9-R11 HydrophobicContact CD1-CG 4.11Å; F9-R11 HydrophobicContact CE1-CG 4.23Å; F9-R11 PolarHBondContact O-N 2.91Å | ||
| 10 | K | 44.2 | Very low | 40.1 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | -76.2 | 99.9 | 175.3 | -170.9 | 166.7 | -175.6 | 169.7 | 0 | 110 | A8 P12 | A8-K10 VanDerWaalsContact C-N 3.27Å; A8-K10 PolarHBondContact O-N 3.19Å; K10-P12 WeakPolarHBondContact O-CD 3.06Å | ||
| 11 | R | 39.1 | Very low | 40.3 | Very low | 203 Ų | 203 | 128.2 Ų | 128.2 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -93.6 | 110.3 | 164.7 | -75.5 | -172.3 | 178.9 | -123.9 | 0.1 | 110.1 | F9 | F9-R11 HydrophobicContact CD1-CG 4.11Å; F9-R11 HydrophobicContact CE1-CG 4.23Å; F9-R11 PolarHBondContact O-N 2.91Å | ||
| 12 | P | 42.1 | Very low | 40.2 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | -85.1 | 112.8 | 167.7 | 32.4 | -28.7 | 0 | 0 | 0 | 109.3 | K10 | K10-P12 WeakPolarHBondContact O-CD 3.06Š| ||
| 13 | G | 39.6 | Very low | 40.3 | Very low | 50 Ų | 50 | 119.7 Ų | 119.7 | 52% | 0.515 | 71% | 0.713 | S | S | . | * | trans | -168.9 | -65.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 14 | D | 41.3 | Very low | 40.6 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -97.9 | -2 | -150.6 | -58.6 | -79.9 | 0 | 0 | 0 | 116.4 | A16 | D14-A16 VanDerWaalsContact C-N 3.27Å; D14-A16 PolarHBondContact O-N 3.41Å |
| 15 | G | 34.5 | Very low | 40.6 | Very low | 51 Ų | 51 | 121.1 Ų | 121.1 | 53% | 0.526 | 70% | 0.696 | S | S | . | * | G | 310 helix | trans | -77.6 | -5.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q19 | G15-Q19 WeakPolarHBondContact O-CG 3.41Å; G15-Q19 PolarHBondContact O-NE2 2.81Å |
| 16 | A | 37.5 | Very low | 40.5 | Very low | 63 Ų | 63 | 119.6 Ų | 119.6 | 52% | 0.521 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -93.6 | -9.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D14 | D14-A16 VanDerWaalsContact C-N 3.27Å; D14-A16 PolarHBondContact O-N 3.41Å |
| 17 | R | 41 | Very low | 40.4 | Very low | 222 Ų | 222 | 127.2 Ų | 127.2 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -40.1 | -174.8 | -152.2 | 168.6 | -177 | -116.2 | -2.4 | 113 | ||
| 18 | L | 41.7 | Very low | 40.4 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 52% | 0.524 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | -35.9 | 173.2 | -72.2 | 165.9 | 0 | 0 | 0 | 112.7 | R20 V21 T236 | L18-R20 PolarHBondContact O-N 2.98Å; L18-V21 PolarHBondContact O-N 3.04Å; L18-T236 HydrophobicContact CD1-CG2 4.03Å |
| 19 | Q | 42.1 | Very low | 40 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 62% | 0.621 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -16.6 | 176.5 | -78.8 | -175.5 | 81.3 | 0 | 0 | 114.6 | G15 V21 | G15-Q19 WeakPolarHBondContact O-CG 3.41Å; G15-Q19 PolarHBondContact O-NE2 2.81Å; Q19-V21 VanDerWaalsContact C-N 3.31Å |
| 20 | R | 40.1 | Very low | 40.1 | Very low | 216 Ų | 216 | 131.4 Ų | 131.4 | 82% | 0.815 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -18.3 | 174.8 | -170.5 | 174 | -96.1 | 132.4 | -9.8 | 112.9 | L18 | L18-R20 PolarHBondContact O-N 2.98Š|
| 21 | V | 45.1 | Very low | 39.8 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 49% | 0.485 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -21.4 | 179.8 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | L18 Q19 K285 | L18-V21 PolarHBondContact O-N 3.04Å; Q19-V21 VanDerWaalsContact C-N 3.31Å; V21-K285 WeakPolarHBondContact O-CE 3.32Å; V21-K285 PolarHBondContact O-NZ 3Å |
| 22 | L | 43.2 | Very low | 39.7 | Very low | 85 Ų | 85 | 130 Ų | 130 | 45% | 0.445 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -100.4 | 1.1 | -173.6 | -64.6 | 179.1 | 0 | 0 | 0 | 115.5 | L24 I282 | L22-L24 PolarHBondContact O-N 3.47Å; L22-I282 HydrophobicContact CD2-CD1 4.44Å |
| 23 | G | 39.4 | Very low | 39.6 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | 65.8 | 5.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | G25 | G23-G25 PolarHBondContact O-N 3.38Š| ||
| 24 | L | 48.7 | Very low | 39.8 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | trans | -73.5 | 91.8 | 177.3 | -63.3 | 178.3 | 0 | 0 | 0 | 110.1 | L22 | L22-L24 PolarHBondContact O-N 3.47Š| ||
| 25 | G | 35.9 | Very low | 39.8 | Very low | 61 Ų | 61 | 134.2 Ų | 134.2 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | trans | -80.2 | 159.1 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | G23 R27 | G23-G25 PolarHBondContact O-N 3.38Å; G25-R27 VanDerWaalsContact C-N 3.26Å; G25-R27 PolarHBondContact O-N 3.36Å | ||
| 26 | S | 34.2 | Very low | 40 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 92% | 0.916 | 75% | 0.748 | S | S | * | * | trans | -70.6 | 78.8 | 161.3 | -80.3 | 0 | 0 | 0 | 0 | 111.2 | R28 | S26-R28 PolarHBondContact O-N 2.8Å; S26-R28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | R | 41.8 | Very low | 40.2 | Very low | 246 Ų | 246 | 136.2 Ų | 136.2 | 93% | 0.928 | 76% | 0.758 | S | S | * | * | trans | -67.6 | 102.8 | 160.7 | -73.9 | -174.2 | 179.1 | -114.2 | 3.1 | 108.4 | G25 A29 | G25-R27 VanDerWaalsContact C-N 3.26Å; G25-R27 PolarHBondContact O-N 3.36Å; R27-A29 PolarHBondContact O-N 3.04Å | ||
| 28 | R | 38.1 | Very low | 40.6 | Very low | 241 Ų | 241 | 132.1 Ų | 132.1 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 128.7 | 164.1 | -88.8 | -175.9 | 170.8 | -176.6 | -1 | 108.4 | S26 | S26-R28 PolarHBondContact O-N 2.8Å; S26-R28 VanDerWaalsContact O-N 3.1Å |
| 29 | A | 36.2 | Very low | 41 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 145.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | R27 R31 | R27-A29 PolarHBondContact O-N 3.04Å; A29-R31 PolarHBondContact O-N 3.04Å |
| 30 | P | 35.7 | Very low | 41.8 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 119.1 | 175.1 | 27.2 | -33.4 | 0 | 0 | 0 | 109.5 | ||
| 31 | R | 38.3 | Very low | 42.8 | Very low | 247 Ų | 247 | 126.4 Ų | 126.4 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 130.3 | 169.8 | -86 | -173.5 | 163.8 | -163.2 | -5.5 | 109.3 | A29 | A29-R31 PolarHBondContact O-N 3.04Š|
| 32 | S | 38 | Very low | 43.4 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.2 | 172.5 | 32.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 33 | L | 39.8 | Very low | 43.9 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.1 | 171.7 | -70.2 | 159.4 | 0 | 0 | 0 | 110.8 | ||
| 34 | P | 43.5 | Very low | 43.9 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 147.8 | 149.9 | 33.6 | -28.4 | 0 | 0 | 0 | 110.9 | ||
| 35 | S | 40.8 | Very low | 43.8 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 143.7 | -173.9 | 51.6 | 0 | 0 | 0 | 0 | 115 | ||
| 36 | G | 38.4 | Very low | 44 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | trans | 80.6 | 108.4 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 37 | G | 42.3 | Very low | 44.3 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | -172.7 | 135.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 38 | P | 48.3 | Very low | 44.2 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 157.6 | -167.2 | 31.9 | -35.9 | 0 | 0 | 0 | 114.6 | ||
| 39 | A | 51.5 | Low | 44.1 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 146.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 40 | P | 57.5 | Low | 45.2 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 155.1 | 159.7 | 34.6 | -31.6 | 0 | 0 | 0 | 112.1 | ||
| 41 | P | 62.5 | Low | 45.1 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 162.6 | -172 | 34.6 | -37.3 | 0 | 0 | 0 | 114.4 | ||
| 42 | P | 57.5 | Low | 45.1 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 136.1 | 178.1 | 34.2 | -33.3 | 0 | 0 | 0 | 113.5 | ||
| 43 | P | 53.8 | Low | 45.1 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 148 | 142.8 | 34.8 | -27.9 | 0 | 0 | 0 | 108.7 | ||
| 44 | G | 39.3 | Very low | 44.8 | Very low | 70 Ų | 70 | 115.8 Ų | 115.8 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | cis | 148.3 | 124.5 | 10.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 45 | H | 45.7 | Very low | 44.6 | Very low | 208 Ų | 208 | 114.4 Ų | 114.4 | 96% | 0.963 | 82% | 0.818 | S | S | * | * | trans | -64.7 | 135.4 | -174.5 | -81.4 | -107.6 | 0 | 0 | 0 | 112.4 | ||||
| 46 | A | 39.9 | Very low | 44.6 | Very low | 106 Ų | 106 | 116.6 Ų | 116.6 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | -146.3 | 127.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 47 | S | 40.8 | Very low | 44.8 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -112.9 | 165.5 | 174.5 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 48 | A | 39.9 | Very low | 44.9 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | 96.5 | 142.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 49 | G | 35.7 | Very low | 44.5 | Very low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | cis | -176.1 | 171.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 50 | P | 60.4 | Low | 44.2 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -97.8 | 144.4 | -165.1 | 36.4 | -34.4 | 0 | 0 | 0 | 115.2 | ||||
| 51 | A | 33.1 | Very low | 43.7 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | 167.5 | 154 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 52 | A | 37.5 | Very low | 43.1 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | cis | -149.5 | 176.7 | 0.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 53 | M | 38.1 | Very low | 42.4 | Very low | 184 Ų | 184 | 126.1 Ų | 126.1 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -90.5 | 145.1 | 178.3 | -57 | 173 | 175.4 | 0 | 0 | 113.1 | ||||
| 54 | S | 34.3 | Very low | 41.9 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 165.6 | 110.4 | 140.1 | -83.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 55 | S | 38.5 | Very low | 41.7 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | 93.4 | 158.9 | 71.9 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 56 | H | 42.4 | Very low | 41.4 | Very low | 167 Ų | 167 | 124.3 Ų | 124.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 95.4 | 101.8 | -168 | -56.4 | -63.7 | 0 | 0 | 0 | 112.9 | ||||
| 57 | I | 41.9 | Very low | 41.2 | Very low | 148 Ų | 148 | 126 Ų | 126 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | cis | 111.4 | 125.5 | 37.6 | -81.3 | 169.6 | 0 | 0 | 0 | 109.5 | ||||
| 58 | A | 43.7 | Very low | 40.9 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 68.2 | 143.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 59 | K | 40.5 | Very low | 40.7 | Very low | 194 Ų | 194 | 128.5 Ų | 128.5 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | cis | -153.9 | 149.6 | 0.5 | -129.6 | 168 | -174.5 | 178.6 | 0 | 111.1 | ||||
| 60 | S | 45.1 | Very low | 40.5 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -57.4 | 161.5 | 156.8 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 61 | E | 46.8 | Very low | 39.2 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | -159.1 | 143.7 | 71.2 | -81.3 | 179.9 | 82.6 | 0 | 0 | 114 | K63 | E61-K63 IonicContact OE1-NZ 2.79Å; E61-K63 PolarHBondContact OE1-NZ 3.23Å | |||
| 62 | S | 50.8 | Low | 39.4 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -88.8 | 149.3 | 160.8 | -45.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 63 | K | 43.4 | Very low | 39.2 | Very low | 164 Ų | 164 | 129 Ų | 129 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -164.9 | 119.4 | 146.6 | -91.6 | 129.6 | -173.4 | 170.4 | 0 | 107 | E61 | E61-K63 IonicContact OE1-NZ 2.79Å; E61-K63 PolarHBondContact OE1-NZ 3.23Å | ||
| 64 | T | 42.5 | Very low | 38.9 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | 66.5 | 92 | 52.5 | 74.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 65 | S | 35.1 | Very low | 38.7 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | 86.2 | 155.3 | 118.1 | -154.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 66 | L | 38.9 | Very low | 38.5 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 66.5 | 150.2 | 169.5 | -66.1 | 119.5 | 0 | 0 | 0 | 117.7 | ||||
| 67 | L | 36.6 | Very low | 38.1 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | cis | 156.8 | 153.7 | -20.9 | -124.2 | 129.6 | 0 | 0 | 0 | 105.3 | ||||
| 68 | K | 33.7 | Very low | 37.9 | Very low | 190 Ų | 190 | 124.8 Ų | 124.8 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | 88 | 95.4 | 149.7 | -129.1 | 165.4 | -172.3 | 174.5 | 0 | 120.7 | ||||
| 69 | A | 36 | Very low | 38.1 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | 27.4 | 131.2 | 122.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 70 | A | 31.9 | Very low | 37.9 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 167.6 | 160.9 | 134.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 71 | A | 33.2 | Very low | 37.6 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | cis | 169.5 | 133.6 | -33.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 72 | A | 36.4 | Very low | 36.9 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 73 | 151.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 73 | S | 34.7 | Very low | 36.2 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | 70.4 | 140.1 | 173.4 | 77.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 74 | G | 30.4 | Very low | 35.8 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | cis | 157.4 | 151.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 75 | G | 30.1 | Very low | 35.4 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 104.6 | 99.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 76 | S | 34.1 | Very low | 35.6 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 39.2 | 119.4 | 129.1 | -55.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 77 | R | 33.5 | Very low | 36 | Very low | 250 Ų | 250 | 132 Ų | 132 | 94% | 0.943 | 80% | 0.802 | S | S | * | * | -176.6 | 135.4 | 107.7 | -107.2 | 168.5 | 153.7 | 167.2 | -7.9 | 114.4 | |||||
| 78 | A | 38.3 | Very low | 35.8 | Very low | 87 Ų | 87 | 128 Ų | 128 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | -96.5 | 161.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 79 | P | 48.3 | Very low | 36 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | -132 | 145.1 | 104.7 | 7.7 | 14.8 | 0 | 0 | 0 | 113.1 | |||||
| 80 | R | 36.9 | Very low | 36 | Very low | 213 Ų | 213 | 134.9 Ų | 134.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | 53.3 | 138.6 | 85.9 | -59.4 | -173.2 | 177.7 | -93.1 | 5.1 | 113.5 | |||||
| 81 | H | 38.8 | Very low | 36.1 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | 176.1 | 140.6 | -3.1 | -112.4 | -75.9 | 0 | 0 | 0 | 103.6 | ||||
| 82 | S | 31.8 | Very low | 36.2 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -168.6 | 131.9 | 141.5 | 47.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 83 | S | 36.3 | Very low | 36.2 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -103 | 153.9 | 175 | 178.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 84 | A | 33.9 | Very low | 36.6 | Very low | 78 Ų | 78 | 148.8 Ų | 148.8 | 65% | 0.645 | 81% | 0.811 | S | S | * | * | 140.1 | 153.3 | 117.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 85 | R | 34.8 | Very low | 37.3 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | 90.4 | 100 | 154.7 | -67.7 | 168.4 | -175 | -158.1 | -1.2 | 120 | ||||
| 86 | D | 39 | Very low | 37.7 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -55.9 | 151.7 | 134.9 | -158 | -103.5 | 0 | 0 | 0 | 110.1 | G88 | D86-G88 PolarHBondContact OD1-N 3.35Š| ||
| 87 | P | 47.7 | Very low | 38.3 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | -145.8 | 137.8 | 102.9 | 35.1 | -18.5 | 0 | 0 | 0 | 115.9 | |||||
| 88 | G | 32 | Very low | 38.7 | Very low | 56 Ų | 56 | 144.5 Ų | 144.5 | 58% | 0.577 | 80% | 0.799 | S | S | * | * | 109.9 | 91.2 | 116.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | D86 | D86-G88 PolarHBondContact OD1-N 3.35Š| |||
| 89 | L | 37.8 | Very low | 39.2 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | 39.2 | 112.4 | 127.4 | -64.8 | 171.3 | 0 | 0 | 0 | 121.4 | |||||
| 90 | R | 37.3 | Very low | 38.4 | Very low | 260 Ų | 260 | 144 Ų | 144 | 98% | 0.981 | 80% | 0.799 | S | S | * | * | trans | -172.1 | 142.1 | 131.6 | -100.8 | 163.3 | -170 | -107.6 | 4.1 | 107.9 | ||||
| 91 | G | 32.8 | Very low | 38.5 | Very low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | 154.9 | 95.2 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 92 | R | 36.4 | Very low | 38.9 | Very low | 240 Ų | 240 | 137.9 Ų | 137.9 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | 55.5 | 123.2 | 162.4 | -60.8 | 178.3 | 163.7 | -160 | -5.2 | 119.2 | ||||
| 93 | R | 34.6 | Very low | 40.1 | Very low | 235 Ų | 235 | 136.9 Ų | 136.9 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | 177.4 | 122.8 | 99.6 | -94.2 | 175.7 | -166.8 | -105.7 | 5 | 112.2 | |||||
| 94 | L | 43.6 | Very low | 40.8 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -82 | 158.5 | 142.8 | -73.8 | 167.7 | 0 | 0 | 0 | 108.6 | ||||
| 95 | P | 45.4 | Very low | 40.8 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | -137.1 | 142.9 | 117.8 | 36.4 | -25.4 | 0 | 0 | 0 | 113.3 | |||||
| 96 | G | 37.4 | Very low | 40.5 | Very low | 67 Ų | 67 | 132.2 Ų | 132.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -96 | -151.1 | 151 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 97 | P | 48.6 | Very low | 40.5 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | cis | -135.6 | 172.6 | -15.8 | 41.4 | -26.4 | 0 | 0 | 0 | 114 | ||||
| 98 | C | 41.4 | Very low | 40.5 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 48.3 | 162.3 | 147.3 | -62.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 99 | P | 47.4 | Very low | 40.5 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | cis | -127.6 | -170 | 21.6 | 38 | -17 | 0 | 0 | 0 | 112.8 | ||||
| 100 | G | 32.5 | Very low | 40.2 | Very low | 58 Ų | 58 | 131.6 Ų | 131.6 | 60% | 0.598 | 80% | 0.801 | S | S | * | * | cis | 172.1 | 131.5 | 5.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 101 | S | 38.1 | Very low | 40.1 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | 91.5 | 157.3 | 99.7 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 102 | P | 47.3 | Very low | 40.4 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -128 | -136.7 | -105 | 38.7 | -15.9 | 0 | 0 | 0 | 115.5 | |||||
| 103 | P | 58.8 | Low | 41.3 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -95.6 | -171.5 | -136.4 | 43.9 | -30.7 | 0 | 0 | 0 | 114.9 | ||||
| 104 | P | 49.8 | Very low | 41.2 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -133.8 | 150.4 | 135.6 | 37.1 | -26.5 | 0 | 0 | 0 | 115.5 | ||||
| 105 | C | 33.4 | Very low | 40.6 | Very low | 132 Ų | 132 | 126 Ų | 126 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | trans | -87.9 | 164.5 | 169.8 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 106 | G | 29.7 | Very low | 40.2 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -178.5 | 58.9 | 176 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 107 | D | 38.5 | Very low | 40.4 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -69.7 | 169.2 | 152.2 | -120.8 | -30.2 | 0 | 0 | 0 | 108.9 | ||||
| 108 | P | 48.2 | Very low | 39.8 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -146.2 | 175.3 | 32.6 | 40.4 | -19.3 | 0 | 0 | 0 | 118.9 | ||||
| 109 | S | 30.7 | Very low | 40.1 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 115.1 | 125.5 | 151.9 | -48.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 110 | S | 32.6 | Very low | 39.3 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | cis | -144.9 | 126.3 | 32.6 | -64.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 111 | R | 35.2 | Very low | 39.4 | Very low | 250 Ų | 250 | 143.1 Ų | 143.1 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | 24.5 | 109.9 | 138.6 | -61.8 | -176.7 | 178 | -137.2 | -1.5 | 120.7 | ||||
| 112 | R | 38.9 | Very low | 39.1 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -73.5 | -178.1 | 136.9 | -99.3 | -176.8 | -175.2 | -144.2 | 2.9 | 110.4 | ||||
| 113 | P | 55.6 | Low | 38.3 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | cis | -142.6 | -163.5 | -18.6 | 28.9 | -2.8 | 0 | 0 | 0 | 114.8 | ||||
| 114 | L | 32.7 | Very low | 37.1 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | 105.2 | 126.9 | 144 | -70.5 | 164.4 | 0 | 0 | 0 | 123.5 | ||||
| 115 | C | 29.8 | Very low | 36.4 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | -7.3 | 141.6 | 155.3 | -55.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 116 | R | 37.2 | Very low | 36.3 | Very low | 246 Ų | 246 | 147.2 Ų | 147.2 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | 38.4 | 153.1 | 138.2 | -85.8 | -176.2 | 169.1 | 177.5 | -3.2 | 120.7 | ||||
| 117 | P | 41.4 | Very low | 36.5 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | cis | -139.4 | -159.4 | 19.7 | 40.3 | -17.9 | 0 | 0 | 0 | 115.7 | ||||
| 118 | V | 37.6 | Very low | 36.3 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -81.2 | 158.8 | 176.7 | -140.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 119 | P | 46.3 | Very low | 35.7 | Very low | 114 Ų | 114 | 157.9 Ų | 157.9 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | -156.2 | 166.8 | 91.8 | 42.3 | -23.4 | 0 | 0 | 0 | 118.4 | |||||
| 120 | R | 31.9 | Very low | 35.7 | Very low | 232 Ų | 232 | 156.8 Ų | 156.8 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | 23.9 | 156 | 138.3 | -80.8 | -178.8 | 179.8 | 170.5 | -0.2 | 122.8 | ||||
| 121 | D | 33.5 | Very low | 35.9 | Very low | 138 Ų | 138 | 159.4 Ų | 159.4 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | cis | -165.8 | -171.6 | -8.5 | -156.9 | -90.4 | 0 | 0 | 0 | 109.2 | ||||
| 122 | E | 32.5 | Very low | 36.6 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | 65.6 | 140 | 175.7 | -54.1 | -165.4 | 87 | 0 | 0 | 117.5 | ||||
| 123 | G | 29.6 | Very low | 36.7 | Very low | 75 Ų | 75 | 150.6 Ų | 150.6 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | cis | 158.5 | 154.3 | -4.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 124 | A | 34.8 | Very low | 35.6 | Very low | 94 Ų | 94 | 150.2 Ų | 150.2 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | cis | -166.6 | 177.7 | -12.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 125 | R | 34.7 | Very low | 35.9 | Very low | 255 Ų | 255 | 151.5 Ų | 151.5 | 96% | 0.962 | 82% | 0.823 | S | S | * | * | trans | 77.4 | 126.5 | 179.7 | -47.2 | 174.5 | -172.2 | -129.8 | -2.2 | 113.9 | ||||
| 126 | G | 30.5 | Very low | 35.8 | Very low | 79 Ų | 79 | 152.6 Ų | 152.6 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | cis | 115.1 | 138 | 23.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 127 | S | 34.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 152.2 Ų | 152.2 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | cis | -164.5 | 148.1 | 11.8 | -171.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 128 | R | 34.8 | Very low | 36.3 | Very low | 216 Ų | 216 | 151.6 Ų | 151.6 | 82% | 0.815 | 83% | 0.825 | S | S | * | * | 169.9 | 162.1 | 85.2 | -94.9 | -163.8 | 168.1 | -165.1 | -6 | 112.6 | |||||
| 129 | R | 35.4 | Very low | 36 | Very low | 242 Ų | 242 | 155.2 Ų | 155.2 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | trans | 77 | 118.7 | 167.4 | -63.4 | -176.2 | -166.4 | -137.9 | 2.4 | 116.1 | ||||
| 130 | G | 30.4 | Very low | 35.2 | Very low | 79 Ų | 79 | 156 Ų | 156 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -113.6 | 162 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 131 | L | 37 | Very low | 34.9 | Very low | 168 Ų | 168 | 150.4 Ų | 150.4 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -59.9 | -173.4 | 156.3 | -74.1 | 163.9 | 0 | 0 | 0 | 111 | ||||
| 132 | P | 48.5 | Very low | 34.7 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | cis | -145.1 | 177.3 | 16 | 42.2 | -21.4 | 0 | 0 | 0 | 119.1 | ||||
| 133 | Q | 41.9 | Very low | 35.3 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -72.2 | 152.5 | 155.1 | -57.5 | 172.7 | 6.7 | 0 | 0 | 110.6 | ||||
| 134 | A | 31.3 | Very low | 36.3 | Very low | 94 Ų | 94 | 150.2 Ų | 150.2 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -161.7 | 146.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 135 | H | 39.7 | Very low | 36.2 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -42.3 | 157.3 | 173.9 | -48.4 | -85.6 | 0 | 0 | 0 | 118.2 | ||||
| 136 | C | 27.5 | Very low | 36.2 | Very low | 132 Ų | 132 | 151 Ų | 151 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -167.1 | 150.1 | 132.6 | -105.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 137 | R | 30.4 | Very low | 36.2 | Very low | 238 Ų | 238 | 150.3 Ų | 150.3 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -112 | -169.6 | 156.4 | -78.2 | -169.9 | 167 | -165.9 | -2.3 | 107.3 | ||||
| 138 | P | 60.1 | Low | 36.3 | Very low | 110 Ų | 110 | 156 Ų | 156 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | -126.4 | 175.5 | -75 | 38.7 | -23.2 | 0 | 0 | 0 | 113 | |||||
| 139 | R | 30.1 | Very low | 36.2 | Very low | 209 Ų | 209 | 152.3 Ų | 152.3 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | trans | 154.3 | 129.7 | 135.1 | -84.8 | 179.9 | 92.1 | 157.4 | 6.7 | 115.3 | ||||
| 140 | E | 29.4 | Very low | 36.1 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 62% | 0.617 | 80% | 0.8 | S | S | * | * | trans | 59.5 | 134.3 | 132.9 | -64.7 | -173.1 | 111.6 | 0 | 0 | 126.7 | ||||
| 141 | T | 26.6 | Very low | 36.4 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 69% | 0.693 | 80% | 0.803 | S | S | * | * | trans | 72.8 | 113.2 | 139.2 | 50 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 142 | L | 29.4 | Very low | 36.3 | Very low | 161 Ų | 161 | 147 Ų | 147 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | 41.1 | 154.3 | 114.4 | -77.5 | 153.2 | 0 | 0 | 0 | 121.2 | |||||
| 143 | P | 45.4 | Very low | 35.5 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -135.8 | -138.4 | -13.8 | 44.5 | -22.9 | 0 | 0 | 0 | 112.8 | ||||
| 144 | P | 49.2 | Very low | 34.9 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -123.3 | 179.6 | -133.9 | 31.9 | -6.2 | 0 | 0 | 0 | 116.9 | ||||
| 145 | A | 32.9 | Very low | 34.8 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -133.2 | 155.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 146 | R | 34.3 | Very low | 34.5 | Very low | 258 Ų | 258 | 146 Ų | 146 | 97% | 0.974 | 79% | 0.785 | S | S | * | * | trans | -93.6 | 160 | -165.8 | -65.9 | 165.3 | 161.2 | 167.3 | -8.3 | 115.5 | ||||
| 147 | G | 31 | Very low | 35.7 | Very low | 65 Ų | 65 | 145.4 Ų | 145.4 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | -163.6 | 125.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 148 | R | 36 | Very low | 35.7 | Very low | 230 Ų | 230 | 138 Ų | 138 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | 72.6 | 133.4 | 69.1 | -77.7 | -162.4 | 145 | 170.2 | 0.7 | 112.7 | |||||
| 149 | D | 34.2 | Very low | 34.5 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | cis | -159.7 | 173.7 | -0.4 | -87.1 | -41.3 | 0 | 0 | 0 | 110 | ||||
| 150 | G | 32.8 | Very low | 34.5 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 103.9 | 115.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 151 | E | 36.2 | Very low | 34.7 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | 76.9 | 130.4 | 54.1 | -158.8 | 156.4 | 98.1 | 0 | 0 | 111.5 | |||||
| 152 | E | 34.3 | Very low | 34.9 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 55% | 0.551 | 81% | 0.809 | S | S | * | * | cis | -153.1 | 177.3 | 24.4 | -145.8 | -161.1 | 63.5 | 0 | 0 | 113.1 | ||||
| 153 | R | 33 | Very low | 34.8 | Very low | 214 Ų | 214 | 139.6 Ų | 139.6 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -2 | 151.1 | 164 | -64.4 | 167.4 | -151.5 | 133.7 | 7.4 | 120.4 | ||||
| 154 | G | 28 | Very low | 34.2 | Very low | 66 Ų | 66 | 139.3 Ų | 139.3 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | cis | 160.6 | -176.2 | 3.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 155 | L | 30.4 | Very low | 33.6 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 97% | 0.974 | 81% | 0.805 | S | S | * | * | trans | 75.6 | 134.6 | 169.3 | -54.5 | 174.8 | 0 | 0 | 0 | 120.3 | ||||
| 156 | A | 33.8 | Very low | 33.5 | Very low | 90 Ų | 90 | 146.6 Ų | 146.6 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -109.6 | -173 | 162 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 157 | P | 52.6 | Low | 33.4 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | cis | -143.3 | -168.5 | 5.7 | 42.8 | -22 | 0 | 0 | 0 | 116.6 | ||||
| 158 | A | 30.6 | Very low | 33.7 | Very low | 83 Ų | 83 | 148.3 Ų | 148.3 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | 82.5 | 118.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 159 | L | 33.8 | Very low | 33.4 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | 44.5 | 119.5 | 135.3 | -54 | 177.6 | 0 | 0 | 0 | 121.3 | ||||
| 160 | G | 30.1 | Very low | 33.6 | Very low | 82 Ų | 82 | 145 Ų | 145 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -171.7 | 144.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 161 | L | 33.3 | Very low | 33.7 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -98.3 | 158.6 | -171.6 | -84.3 | 155.2 | 0 | 0 | 0 | 114.2 | ||||
| 162 | R | 32.3 | Very low | 33.6 | Very low | 251 Ų | 251 | 142.5 Ų | 142.5 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | 70.6 | 127.8 | 160.1 | -74.7 | 177.2 | 160.4 | -123.9 | -2.6 | 119.5 | ||||
| 163 | G | 27.4 | Very low | 33.9 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | 131.8 | 93.2 | 125.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 164 | S | 32 | Very low | 34.1 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 65.3 | 123.4 | 139.5 | -135.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 165 | L | 35.5 | Very low | 34.6 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | 61 | 97.3 | 145 | -65.6 | 165.7 | 0 | 0 | 0 | 120 | ||||
| 166 | R | 31.3 | Very low | 34.8 | Very low | 233 Ų | 233 | 135.1 Ų | 135.1 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | 177 | 150.2 | 104 | -93.7 | 168 | -169.7 | -106.5 | 1.6 | 112.5 | |||||
| 167 | S | 32.5 | Very low | 34.8 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | 13.5 | 142.1 | 152.1 | 64.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 168 | R | 37.2 | Very low | 34.1 | Very low | 252 Ų | 252 | 133.7 Ų | 133.7 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | cis | -174.8 | 152.5 | 32 | -148.3 | 175.6 | -178.2 | 177.1 | -0.8 | 108.7 | ||||
| 169 | G | 30.6 | Very low | 34.7 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 145.3 | 120.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 170 | R | 38.4 | Very low | 35.1 | Very low | 230 Ų | 230 | 135.2 Ų | 135.2 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | 56.9 | 86.2 | 149.6 | -62.4 | -170.5 | -179.6 | -158.5 | -1.9 | 119.3 | ||||
| 171 | G | 33.7 | Very low | 35.8 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -124.3 | 89.1 | 130.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | P173 | G171-P173 VanDerWaalsContact O-CD 3.29Å; G171-P173 WeakPolarHBondContact O-CD 3.12Å | ||
| 172 | D | 34.5 | Very low | 36.7 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.6 | 177.5 | -62.8 | -82.1 | 0 | 0 | 0 | 108.9 | ||
| 173 | P | 40.7 | Very low | 37.8 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 138.4 | 162.5 | 30.2 | -31.8 | 0 | 0 | 0 | 107.8 | G171 | G171-P173 VanDerWaalsContact O-CD 3.29Å; G171-P173 WeakPolarHBondContact O-CD 3.12Å |
| 174 | A | 36.6 | Very low | 38.9 | Very low | 86 Ų | 86 | 120.5 Ų | 120.5 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 146.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A176 | A174-A176 PolarHBondContact O-N 2.81Å; A174-A176 VanDerWaalsContact O-N 3.17Å |
| 175 | P | 38.7 | Very low | 39.9 | Very low | 124 Ų | 124 | 117 Ų | 117 | 81% | 0.805 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 127 | 173.7 | 25.9 | -33.5 | 0 | 0 | 0 | 108.3 | G177 | P175-G177 PolarHBondContact O-N 3.21Š|
| 176 | A | 34.9 | Very low | 41 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 68% | 0.68 | S | S | * | * | trans | -55.7 | 113.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | A174 | A174-A176 PolarHBondContact O-N 2.81Å; A174-A176 VanDerWaalsContact O-N 3.17Å | ||
| 177 | G | 34 | Very low | 42.2 | Very low | 64 Ų | 64 | 113.3 Ų | 113.3 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | trans | -55.7 | 143.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | P175 | P175-G177 PolarHBondContact O-N 3.21Š| ||
| 178 | T | 37.5 | Very low | 43.2 | Very low | 117 Ų | 117 | 108.5 Ų | 108.5 | 72% | 0.718 | 63% | 0.634 | S | S | * | * | trans | -43.5 | 139.8 | 155.3 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | E180 | T178-E180 PolarHBondContact O-N 3.09Š| ||
| 179 | P | 43.8 | Very low | 44.2 | Very low | 121 Ų | 121 | 102.4 Ų | 102.4 | 79% | 0.786 | 61% | 0.611 | S | S | * | * | trans | -58.1 | 110.8 | 170.5 | 25.7 | -32.1 | 0 | 0 | 0 | 107 | A181 | P179-A181 PolarHBondContact O-N 3.43Š| ||
| 180 | E | 41.1 | Very low | 45.3 | Very low | 176 Ų | 176 | 102.7 Ų | 102.7 | 82% | 0.822 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 116.4 | 162.2 | -63.9 | -128.5 | 131.6 | 0 | 0 | 104.6 | T178 D182 | T178-E180 PolarHBondContact O-N 3.09Å; E180-D182 PolarHBondContact O-N 2.95Å; E180-D182 VanDerWaalsContact O-N 3.14Å |
| 181 | A | 45.6 | Very low | 45.8 | Very low | 70 Ų | 70 | 95.8 Ų | 95.8 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -54 | 123.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | P179 | P179-A181 PolarHBondContact O-N 3.43Š|
| 182 | D | 51.5 | Low | 46.9 | Very low | 56 Ų | 56 | 92.8 Ų | 92.8 | 30% | 0.299 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 146.9 | -159.7 | -114.1 | -44.9 | 0 | 0 | 0 | 110.9 | E180 F184 L185 H186 E326 | E180-D182 PolarHBondContact O-N 2.95Å; E180-D182 VanDerWaalsContact O-N 3.14Å; D182-F184 PolarHBondContact O-N 3.23Å; D182-L185 PolarHBondContact O-N 2.86Å; D182-H186 PolarHBondContact O-N 3.33Å; D182-H186 VanDerWaalsContact O-N 3.11Å; D182-E326 HydrophobicContact CB-CG 4.35Å |
| 183 | P | 56.6 | Low | 47.8 | Very low | 95 Ų | 95 | 88.5 Ų | 88.5 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.9 | -174.8 | -24.7 | 34.3 | 0 | 0 | 0 | 113.7 | R187 | P183-R187 VanDerWaalsContact O-CB 3.25Å; P183-R187 WeakPolarHBondContact O-CB 3.39Å; P183-R187 PolarHBondContact O-N 3.01Å |
| 184 | F | 49.6 | Very low | 48.3 | Very low | 44 Ų | 44 | 86.5 Ų | 86.5 | 19% | 0.193 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -43.9 | 175.2 | -160.3 | -109.9 | 0 | 0 | 0 | 112.9 | D182 R187 L188 V319 D323 E326 I327 | D182-F184 PolarHBondContact O-N 3.23Å; F184-R187 CarbonylContact O-C 3.48Å; F184-R187 WeakPolarHBondContact O-CA 3.26Å; F184-R187 WeakPolarHBondContact O-CB 3.47Å; F184-R187 PolarHBondContact O-N 3.34Å; F184-R187 VanDerWaalsContact O-N 3.07Å; F184-L188 HydrophobicContact CD1-CD1 3.83Å; F184-L188 HydrophobicContact CD1-CG 4.14Å; F184-L188 HydrophobicContact CE1-CD1 3.44Å; F184-L188 VanDerWaalsContact CE1-CD1 3.44Å; F184-L188 HydrophobicContact CE1-CD2 4.33Å; F184-L188 HydrophobicContact CE1-CG 3.87Å; F184-L188 HydrophobicContact CZ-CD1 4.13Å; F184-L188 HydrophobicContact CZ-CD2 4.21Å; F184-L188 HydrophobicContact CZ-CG 4.18Å; F184-L188 WeakPolarHBondContact O-CG 3.45Å; F184-L188 PolarHBondContact O-N 3.04Å; F184-V319 HydrophobicContact CE1-CG1 4.05Å; F184-V319 HydrophobicContact CZ-CG1 3.86Å; F184-D323 HydrophobicContact CD1-CB 3.89Å; F184-D323 HydrophobicContact CE1-CB 3.48Å; F184-D323 VanDerWaalsContact CE1-CB 3.48Å; F184-D323 HydrophobicContact CE2-CB 4.2Å; F184-D323 HydrophobicContact CG-CB 4.39Å; F184-D323 HydrophobicContact CZ-CB 3.68Å; F184-E326 VanDerWaalsContact CB-OE1 3.3Å; F184-E326 WeakPolarHBondContact CB-OE1 3.31Å; F184-I327 HydrophobicContact CD1-CD1 4.22Å; F184-I327 HydrophobicContact CD1-CG1 4.01Å; F184-I327 HydrophobicContact CE1-CD1 3.8Å; F184-I327 HydrophobicContact CE1-CG1 4.11Å |
| 185 | L | 54.3 | Low | 49 | Very low | 34 Ų | 34 | 83.8 Ų | 83.8 | 18% | 0.178 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 172 | -81 | -162.5 | 0 | 0 | 0 | 111.8 | D182 R187 L188 R189 I327 D330 V331 | D182-L185 PolarHBondContact O-N 2.86Å; L185-R187 PolarHBondContact O-N 3.3Å; L185-L188 PolarHBondContact O-N 3.41Å; L185-R189 WeakPolarHBondContact O-CB 3.45Å; L185-R189 PolarHBondContact O-N 3.14Å; L185-I327 HydrophobicContact CD2-CB 4.36Å; L185-I327 HydrophobicContact CD2-CG1 4Å; L185-I327 HydrophobicContact CD2-CG2 4.13Å; L185-D330 HydrophobicContact CD1-CB 3.38Å; L185-D330 WeakPolarHBondContact CD1-OD2 3.45Å; L185-D330 HydrophobicContact CG-CB 4.29Å; L185-V331 HydrophobicContact CD1-CG2 4.38Å |
| 186 | H | 58 | Low | 49.8 | Very low | 141 Ų | 141 | 79.5 Ų | 79.5 | 65% | 0.653 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.9 | -23 | 173 | -167.4 | -64.2 | 0 | 0 | 0 | 112.6 | D182 P190 | D182-H186 PolarHBondContact O-N 3.33Å; D182-H186 VanDerWaalsContact O-N 3.11Å; H186-P190 WeakPolarHBondContact O-CD 3.47Å |
| 187 | R | 56.2 | Low | 50.5 | Low | 167 Ų | 167 | 75.4 Ų | 75.4 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -82.9 | -39.1 | 174.4 | 179.5 | -176.2 | -60 | -125 | -2.4 | 112.4 | P183 F184 L185 P190 M191 | P183-R187 VanDerWaalsContact O-CB 3.25Å; P183-R187 WeakPolarHBondContact O-CB 3.39Å; P183-R187 PolarHBondContact O-N 3.01Å; F184-R187 CarbonylContact O-C 3.48Å; F184-R187 WeakPolarHBondContact O-CA 3.26Å; F184-R187 WeakPolarHBondContact O-CB 3.47Å; F184-R187 PolarHBondContact O-N 3.34Å; F184-R187 VanDerWaalsContact O-N 3.07Å; L185-R187 PolarHBondContact O-N 3.3Å; R187-P190 WeakPolarHBondContact O-CD 3.44Å; R187-P190 WeakPolarHBondContact O-CG 3.46Å; R187-M191 HydrophobicContact CG-CE 4.22Å; R187-M191 WeakPolarHBondContact O-CE 3.42Å |
| 188 | L | 53.5 | Low | 51.2 | Low | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.1 | -37.9 | 176.3 | -71.5 | -172.5 | 0 | 0 | 0 | 111.9 | F184 L185 M191 L192 M311 L315 I327 | F184-L188 HydrophobicContact CD1-CD1 3.83Å; F184-L188 HydrophobicContact CD1-CG 4.14Å; F184-L188 HydrophobicContact CE1-CD1 3.44Å; F184-L188 VanDerWaalsContact CE1-CD1 3.44Å; F184-L188 HydrophobicContact CE1-CD2 4.33Å; F184-L188 HydrophobicContact CE1-CG 3.87Å; F184-L188 HydrophobicContact CZ-CD1 4.13Å; F184-L188 HydrophobicContact CZ-CD2 4.21Å; F184-L188 HydrophobicContact CZ-CG 4.18Å; F184-L188 WeakPolarHBondContact O-CG 3.45Å; F184-L188 PolarHBondContact O-N 3.04Å; L185-L188 PolarHBondContact O-N 3.41Å; L188-M191 HydrophobicContact CD2-CE 3.85Å; L188-M191 CarbonylContact O-C 3.58Å; L188-M191 WeakPolarHBondContact O-CA 3.45Å; L188-M191 WeakPolarHBondContact O-CB 3.29Å; L188-M191 PolarHBondContact O-N 3.07Å; L188-L192 HydrophobicContact CB-CD1 4.17Å; L188-L192 HydrophobicContact CB-CG 4.41Å; L188-L192 WeakPolarHBondContact O-CG 3.24Å; L188-L192 PolarHBondContact O-N 2.88Å; L188-M311 HydrophobicContact CD1-SD 4.36Å; L188-L315 HydrophobicContact CD2-CD1 3.83Å; L188-L315 HydrophobicContact CD2-CD2 4Å; L188-I327 HydrophobicContact CD1-CD1 3.63Å; L188-I327 HydrophobicContact CD1-CG1 3.92Å |
| 189 | R | 58.4 | Low | 51.6 | Low | 125 Ų | 125 | 79.5 Ų | 79.5 | 47% | 0.472 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -47 | -55.7 | -179.7 | -178.5 | -174.8 | 145.9 | 151.5 | 4 | 113.3 | L185 M191 L192 S193 R350 | L185-R189 WeakPolarHBondContact O-CB 3.45Å; L185-R189 PolarHBondContact O-N 3.14Å; R189-M191 PolarHBondContact O-N 3.33Å; R189-L192 PolarHBondContact O-N 3.05Å; R189-S193 VanDerWaalsContact O-CB 3.25Å; R189-S193 WeakPolarHBondContact O-CB 3.28Å; R189-S193 PolarHBondContact O-N 2.81Å; R189-S193 PolarHBondContact O-OG 2.57Å; R189-R350 PolarHBondContact NE-O 2.86Å; R189-R350 PolarHBondContact NH1-O 3.44Å; R189-R350 PolarHBondContact NH1-OXT 2.79Å |
| 190 | P | 53.1 | Low | 52.5 | Low | 75 Ų | 75 | 74.8 Ų | 74.8 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.9 | -24.6 | 178 | 25.6 | -35.3 | 0 | 0 | 0 | 113.5 | H186 R187 S194 | H186-P190 WeakPolarHBondContact O-CD 3.47Å; R187-P190 WeakPolarHBondContact O-CD 3.44Å; R187-P190 WeakPolarHBondContact O-CG 3.46Å; P190-S194 WeakPolarHBondContact O-CB 3.38Å; P190-S194 PolarHBondContact O-N 3.46Å |
| 191 | M | 49.7 | Very low | 53.2 | Low | 85 Ų | 85 | 71.8 Ų | 71.8 | 42% | 0.419 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -83.1 | -35.3 | 175.9 | -63.9 | -171.3 | -73.4 | 0 | 0 | 112.6 | R187 L188 R189 S194 A195 L315 | R187-M191 HydrophobicContact CG-CE 4.22Å; R187-M191 WeakPolarHBondContact O-CE 3.42Å; L188-M191 HydrophobicContact CD2-CE 3.85Å; L188-M191 CarbonylContact O-C 3.58Å; L188-M191 WeakPolarHBondContact O-CA 3.45Å; L188-M191 WeakPolarHBondContact O-CB 3.29Å; L188-M191 PolarHBondContact O-N 3.07Å; R189-M191 PolarHBondContact O-N 3.33Å; M191-S194 CarbonylContact O-C 3.57Å; M191-S194 PolarHBondContact O-N 3.17Å; M191-A195 WeakPolarHBondContact O-CB 3.34Å; M191-A195 PolarHBondContact O-N 3.3Å; M191-L315 HydrophobicContact CB-CD2 4.43Å; M191-L315 HydrophobicContact CE-CD2 3.42Å; M191-L315 VanDerWaalsContact CE-CD2 3.42Å; M191-L315 HydrophobicContact SD-CD2 3.59Å; M191-L315 VanDerWaalsContact SD-CD2 3.59Å |
| 192 | L | 56.7 | Low | 54.1 | Low | 14 Ų | 14 | 69.6 Ų | 69.6 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.9 | -40.7 | 171.9 | -63.1 | 177.3 | 0 | 0 | 0 | 110.7 | L188 R189 S194 A195 F196 M311 M347 M348 | L188-L192 HydrophobicContact CB-CD1 4.17Å; L188-L192 HydrophobicContact CB-CG 4.41Å; L188-L192 WeakPolarHBondContact O-CG 3.24Å; L188-L192 PolarHBondContact O-N 2.88Å; R189-L192 PolarHBondContact O-N 3.05Å; L192-S194 VanDerWaalsContact C-N 3.29Å; L192-S194 PolarHBondContact O-N 3.18Å; L192-A195 PolarHBondContact O-N 3.34Å; L192-F196 WeakPolarHBondContact O-CA 3.32Å; L192-F196 WeakPolarHBondContact O-CB 3.48Å; L192-F196 PolarHBondContact O-N 3.16Å; L192-M311 HydrophobicContact CD2-CE 3.83Å; L192-M311 HydrophobicContact CD2-SD 4.23Å; L192-M347 HydrophobicContact CD1-CE 4.45Å; L192-M347 HydrophobicContact CD1-SD 4.38Å; L192-M348 HydrophobicContact CB-SD 4.27Å |
| 193 | S | 53.6 | Low | 54.7 | Low | 40 Ų | 40 | 71.5 Ų | 71.5 | 28% | 0.28 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.7 | -27.5 | 169.2 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | R189 G197 | R189-S193 VanDerWaalsContact O-CB 3.25Å; R189-S193 WeakPolarHBondContact O-CB 3.28Å; R189-S193 PolarHBondContact O-N 2.81Å; R189-S193 PolarHBondContact O-OG 2.57Å; S193-G197 CarbonylContact O-C 3.59Å; S193-G197 WeakPolarHBondContact O-CA 3.46Å; S193-G197 PolarHBondContact O-N 2.92Å |
| 194 | S | 51.3 | Low | 55 | Low | 77 Ų | 77 | 71.6 Ų | 71.6 | 54% | 0.538 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -81 | -17.6 | 171.5 | -178.8 | 0 | 0 | 0 | 0 | 113.7 | P190 M191 L192 R200 | P190-S194 WeakPolarHBondContact O-CB 3.38Å; P190-S194 PolarHBondContact O-N 3.46Å; M191-S194 CarbonylContact O-C 3.57Å; M191-S194 PolarHBondContact O-N 3.17Å; L192-S194 VanDerWaalsContact C-N 3.29Å; L192-S194 PolarHBondContact O-N 3.18Å; S194-R200 WeakPolarHBondContact O-CB 3.3Å |
| 195 | A | 52 | Low | 55.7 | Low | 29 Ų | 29 | 74.5 Ų | 74.5 | 24% | 0.24 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -95.8 | -31.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | M191 L192 R200 L314 | M191-A195 WeakPolarHBondContact O-CB 3.34Å; M191-A195 PolarHBondContact O-N 3.3Å; L192-A195 PolarHBondContact O-N 3.34Å; A195-R200 VanDerWaalsContact O-CD 3.28Å; A195-R200 WeakPolarHBondContact O-CD 3.34Å; A195-R200 PolarHBondContact O-NH1 2.71Å; A195-L314 HydrophobicContact CB-CD2 4.43Å |
| 196 | F | 54.8 | Low | 56.4 | Low | 34 Ų | 34 | 73.5 Ų | 73.5 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -142.9 | 2.4 | -168.3 | -53.6 | -73.9 | 0 | 0 | 0 | 114.8 | L192 A290 F294 L314 M348 | L192-F196 WeakPolarHBondContact O-CA 3.32Å; L192-F196 WeakPolarHBondContact O-CB 3.48Å; L192-F196 PolarHBondContact O-N 3.16Å; F196-A290 HydrophobicContact CD1-CB 4.14Å; F196-A290 HydrophobicContact CE1-CB 4.09Å; F196-F294 AromaticContact CE2-CE2 3.98Å; F196-F294 HydrophobicContact CE2-CE2 3.98Å; F196-F294 AromaticContact CE2-CZ 3.96Å; F196-F294 HydrophobicContact CE2-CZ 3.96Å; F196-F294 AromaticContact CZ-CE2 3.71Å; F196-F294 HydrophobicContact CZ-CE2 3.71Å; F196-F294 HydrophobicContact CZ-CZ 4.17Å; F196-L314 HydrophobicContact CE2-CD1 3.68Å; F196-L314 HydrophobicContact CE2-CD2 3.79Å; F196-L314 HydrophobicContact CE2-CG 4.39Å; F196-L314 HydrophobicContact CZ-CD1 3.94Å; F196-L314 HydrophobicContact CZ-CD2 3.58Å; F196-L314 HydrophobicContact CZ-CG 4.41Å; F196-M348 HydrophobicContact CB-CE 4.19Å; F196-M348 HydrophobicContact CB-SD 4.35Å; F196-M348 HydrophobicContact CD2-CE 3.78Å; F196-M348 HydrophobicContact CE2-CE 4.47Å; F196-M348 HydrophobicContact CG-CE 4.16Å |
| 197 | G | 48.6 | Very low | 57.2 | Low | 15 Ų | 15 | 69.7 Ų | 69.7 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -106.7 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S193 D199 R200 | S193-G197 CarbonylContact O-C 3.59Å; S193-G197 WeakPolarHBondContact O-CA 3.46Å; S193-G197 PolarHBondContact O-N 2.92Å; G197-D199 PolarHBondContact O-N 2.99Å; G197-D199 VanDerWaalsContact O-N 3.11Å; G197-R200 WeakPolarHBondContact O-CB 3.46Å; G197-R200 WeakPolarHBondContact O-CG 3.24Å; G197-R200 PolarHBondContact O-N 2.85Å; G197-R200 VanDerWaalsContact O-N 3.09Å |
| 198 | Q | 49.4 | Very low | 58.1 | Low | 106 Ų | 106 | 65.2 Ų | 65.2 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -7.4 | -165.4 | -55.6 | -174.9 | -69.5 | 0 | 0 | 115.7 | L275 A276 | Q198-L275 HydrophobicContact CB-CB 4.29Å; Q198-L275 WeakPolarHBondContact CG-O 3Å; Q198-L275 PolarHBondContact NE2-O 3.09Å; Q198-L275 WeakPolarHBondContact O-CB 3.32Å; Q198-L275 WeakPolarHBondContact O-CD1 3.19Å; Q198-A276 PolarHBondContact NE2-O 3.17Å |
| 199 | D | 45.6 | Very low | 59.1 | Low | 161 Ų | 161 | 70.9 Ų | 70.9 | 86% | 0.861 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 12.9 | 175.2 | -76.8 | -52.3 | 0 | 0 | 0 | 112.3 | G197 | G197-D199 PolarHBondContact O-N 2.99Å; G197-D199 VanDerWaalsContact O-N 3.11Å |
| 200 | R | 62.3 | Low | 59.9 | Low | 22 Ų | 22 | 65 Ų | 65 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 143.6 | 177.1 | 76.8 | 175.6 | -175.6 | -170.4 | -11.5 | 111.5 | S194 A195 G197 L202 E206 L275 | S194-R200 WeakPolarHBondContact O-CB 3.3Å; A195-R200 VanDerWaalsContact O-CD 3.28Å; A195-R200 WeakPolarHBondContact O-CD 3.34Å; A195-R200 PolarHBondContact O-NH1 2.71Å; G197-R200 WeakPolarHBondContact O-CB 3.46Å; G197-R200 WeakPolarHBondContact O-CG 3.24Å; G197-R200 PolarHBondContact O-N 2.85Å; G197-R200 VanDerWaalsContact O-N 3.09Å; R200-L202 PolarHBondContact O-N 2.94Å; R200-E206 IonicContact CZ-OE1 2.69Å; R200-E206 IonicContact CZ-OE2 3.29Å; R200-E206 IonicContact NE-OE1 2.79Å; R200-E206 PolarHBondContact NE-OE1 2.73Å; R200-E206 IonicContact NE-OE2 3.4Å; R200-E206 PolarHBondContact NE-OE2 2.92Å; R200-E206 IonicContact NH2-OE1 3.33Å; R200-E206 PolarHBondContact NH2-OE1 3.41Å; R200-E206 IonicContact NH2-OE2 3.22Å; R200-E206 PolarHBondContact NH2-OE2 2.97Å; R200-L275 HydrophobicContact CG-CD2 4.25Å |
| 201 | S | 57.5 | Low | 61.2 | Low | 114 Ų | 114 | 67.1 Ų | 67.1 | 80% | 0.797 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 130 | 162.5 | -164.7 | 0 | 0 | 0 | 0 | 108.3 | R203 | S201-R203 PolarHBondContact O-N 3.42Š|
| 202 | L | 62.9 | Low | 62.6 | Low | 23 Ų | 23 | 68.9 Ų | 68.9 | 12% | 0.12 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 132.1 | -175 | -65.5 | 161.3 | 0 | 0 | 0 | 110.9 | R200 E206 I207 L210 V267 L275 | R200-L202 PolarHBondContact O-N 2.94Å; L202-E206 HydrophobicContact CB-CB 4.29Å; L202-E206 HydrophobicContact CD2-CB 4.07Å; L202-I207 HydrophobicContact CB-CD1 4.25Å; L202-I207 HydrophobicContact CB-CG1 3.75Å; L202-I207 WeakPolarHBondContact O-CD1 3.39Å; L202-L210 HydrophobicContact CD1-CD1 3.64Å; L202-V267 HydrophobicContact CD1-CG1 3.61Å; L202-L275 HydrophobicContact CD2-CD1 4.44Å |
| 203 | R | 64.1 | Low | 63.6 | Low | 97 Ų | 97 | 68.9 Ų | 68.9 | 37% | 0.366 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -68 | 157.5 | 175.8 | -57.3 | -155.2 | -52.7 | 179.6 | 2.3 | 110.6 | S201 E205 E206 I207 E293 | S201-R203 PolarHBondContact O-N 3.42Å; R203-E205 VanDerWaalsContact CB-OE2 3.29Å; R203-E205 WeakPolarHBondContact CB-OE2 3.5Å; R203-E205 IonicContact CZ-OE2 3.69Å; R203-E205 IonicContact NE-OE2 2.71Å; R203-E205 PolarHBondContact O-N 2.97Å; R203-E205 VanDerWaalsContact O-N 3.08Å; R203-E206 HydrophobicContact CB-CG 4.49Å; R203-E206 WeakPolarHBondContact CB-OE2 3.31Å; R203-E206 WeakPolarHBondContact CG-OE2 3.25Å; R203-E206 PolarHBondContact N-OE2 3.47Å; R203-E206 PolarHBondContact O-N 3.27Å; R203-I207 WeakPolarHBondContact O-CG1 3.38Å; R203-I207 PolarHBondContact O-N 3.47Å; R203-E293 IonicContact NH1-OE2 3.37Å |
| 204 | P | 63.8 | Low | 64.8 | Low | 97 Ų | 97 | 67.7 Ų | 67.7 | 63% | 0.63 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -54.3 | -31.2 | 178.1 | -26.1 | 35.8 | 0 | 0 | 0 | 113.8 | E208 | P204-E208 PolarHBondContact O-N 2.83Å |
| 205 | E | 64.1 | Low | 66.2 | Low | 105 Ų | 105 | 69.8 Ų | 69.8 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69 | -45.4 | 176.6 | -58.1 | 72.4 | -151 | 0 | 0 | 111.7 | R203 I207 E208 E209 | R203-E205 VanDerWaalsContact CB-OE2 3.29Å; R203-E205 WeakPolarHBondContact CB-OE2 3.5Å; R203-E205 IonicContact CZ-OE2 3.69Å; R203-E205 IonicContact NE-OE2 2.71Å; R203-E205 PolarHBondContact O-N 2.97Å; R203-E205 VanDerWaalsContact O-N 3.08Å; E205-I207 VanDerWaalsContact C-N 3.33Å; E205-I207 PolarHBondContact O-N 3.42Å; E205-E208 PolarHBondContact O-N 3.4Å; E205-E209 PolarHBondContact O-N 3.14Å |
| 206 | E | 69.5 | Low | 67.5 | Low | 12 Ų | 12 | 73.4 Ų | 73.4 | 6% | 0.056 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 176.9 | -63.3 | 169 | 116.4 | 0 | 0 | 111.2 | R200 L202 R203 E209 L210 | R200-E206 IonicContact CZ-OE1 2.69Å; R200-E206 IonicContact CZ-OE2 3.29Å; R200-E206 IonicContact NE-OE1 2.79Å; R200-E206 PolarHBondContact NE-OE1 2.73Å; R200-E206 IonicContact NE-OE2 3.4Å; R200-E206 PolarHBondContact NE-OE2 2.92Å; R200-E206 IonicContact NH2-OE1 3.33Å; R200-E206 PolarHBondContact NH2-OE1 3.41Å; R200-E206 IonicContact NH2-OE2 3.22Å; R200-E206 PolarHBondContact NH2-OE2 2.97Å; L202-E206 HydrophobicContact CB-CB 4.29Å; L202-E206 HydrophobicContact CD2-CB 4.07Å; R203-E206 HydrophobicContact CB-CG 4.49Å; R203-E206 WeakPolarHBondContact CB-OE2 3.31Å; R203-E206 WeakPolarHBondContact CG-OE2 3.25Å; R203-E206 PolarHBondContact N-OE2 3.47Å; R203-E206 PolarHBondContact O-N 3.27Å; E206-E209 PolarHBondContact O-N 3.2Å; E206-L210 WeakPolarHBondContact O-CG 3.48Å; E206-L210 PolarHBondContact O-N 3.5Å |
| 207 | I | 74.5 | Confident | 68.4 | Low | 61 Ų | 61 | 72.7 Ų | 72.7 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 174.9 | -64.8 | 169.8 | 0 | 0 | 0 | 110.8 | L202 R203 E205 L210 R211 F263 | L202-I207 HydrophobicContact CB-CD1 4.25Å; L202-I207 HydrophobicContact CB-CG1 3.75Å; L202-I207 WeakPolarHBondContact O-CD1 3.39Å; R203-I207 WeakPolarHBondContact O-CG1 3.38Å; R203-I207 PolarHBondContact O-N 3.47Å; E205-I207 VanDerWaalsContact C-N 3.33Å; E205-I207 PolarHBondContact O-N 3.42Å; I207-L210 PolarHBondContact O-N 3.38Å; I207-R211 VanDerWaalsContact O-CB 3.26Å; I207-R211 WeakPolarHBondContact O-CB 3.48Å; I207-R211 PolarHBondContact O-N 2.93Å; I207-F263 HydrophobicContact CG2-CE1 4.39Å; I207-F263 HydrophobicContact CG2-CZ 4.07Å |
| 208 | E | 74.9 | Confident | 70 | Confident | 73 Ų | 73 | 72.6 Ų | 72.6 | 34% | 0.341 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -72.9 | -30.8 | 176.4 | -165.4 | 66.7 | -150.7 | 0 | 0 | 111.8 | P204 E205 R211 E212 R215 | P204-E208 PolarHBondContact O-N 2.83Å; E205-E208 PolarHBondContact O-N 3.4Å; E208-R211 CarbonylContact O-C 3.59Å; E208-R211 WeakPolarHBondContact O-CB 3.22Å; E208-R211 PolarHBondContact O-N 3.07Å; E208-R211 IonicContact OE1-NH1 3.87Å; E208-R211 WeakPolarHBondContact OE2-CD 3.37Å; E208-R211 IonicContact OE2-CZ 2.73Å; E208-R211 IonicContact OE2-NE 3.84Å; E208-R211 IonicContact OE2-NH1 3.41Å; E208-R211 PolarHBondContact OE2-NH1 3.11Å; E208-E212 WeakPolarHBondContact O-CG 3.38Å; E208-E212 PolarHBondContact O-N 3.19Å; E208-R215 IonicContact OE1-NH2 2.87Å |
| 209 | E | 74 | Confident | 71.1 | Confident | 124 Ų | 124 | 74.8 Ų | 74.8 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.8 | -47 | 169 | -73.7 | -170.5 | -165 | 0 | 0 | 111.8 | E205 E206 R211 E212 A213 | E205-E209 PolarHBondContact O-N 3.14Å; E206-E209 PolarHBondContact O-N 3.2Å; E209-R211 PolarHBondContact O-N 3.17Å; E209-E212 PolarHBondContact O-N 2.91Å; E209-A213 WeakPolarHBondContact O-CB 3.43Å; E209-A213 PolarHBondContact O-N 3.43Å |
| 210 | L | 75.9 | Confident | 72.7 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.9 | -32.8 | 172.2 | -74.2 | 169.6 | 0 | 0 | 0 | 112 | L202 E206 I207 F214 M237 F266 V267 M270 L274 | L202-L210 HydrophobicContact CD1-CD1 3.64Å; E206-L210 WeakPolarHBondContact O-CG 3.48Å; E206-L210 PolarHBondContact O-N 3.5Å; I207-L210 PolarHBondContact O-N 3.38Å; L210-F214 WeakPolarHBondContact O-CB 3.43Å; L210-F214 PolarHBondContact O-N 3.4Å; L210-M237 HydrophobicContact CD2-SD 3.93Å; L210-F266 HydrophobicContact CB-CE1 4.13Å; L210-F266 HydrophobicContact CD2-CE1 3.8Å; L210-F266 HydrophobicContact CD2-CZ 4.43Å; L210-F266 WeakPolarHBondContact O-CE1 3.31Å; L210-V267 HydrophobicContact CD1-CG2 4.26Å; L210-M270 HydrophobicContact CD2-CB 3.86Å; L210-L274 HydrophobicContact CD2-CD1 3.83Å; L210-L274 HydrophobicContact CG-CD1 4.25Å |
| 211 | R | 79.9 | Confident | 73.4 | Confident | 119 Ų | 119 | 79.4 Ų | 79.4 | 45% | 0.449 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -77.3 | -36.3 | 178.4 | -164 | -170.6 | -169.4 | -176.8 | 7.7 | 113.7 | I207 E208 E209 R215 F263 | I207-R211 VanDerWaalsContact O-CB 3.26Å; I207-R211 WeakPolarHBondContact O-CB 3.48Å; I207-R211 PolarHBondContact O-N 2.93Å; E208-R211 CarbonylContact O-C 3.59Å; E208-R211 WeakPolarHBondContact O-CB 3.22Å; E208-R211 PolarHBondContact O-N 3.07Å; E208-R211 IonicContact OE1-NH1 3.87Å; E208-R211 WeakPolarHBondContact OE2-CD 3.37Å; E208-R211 IonicContact OE2-CZ 2.73Å; E208-R211 IonicContact OE2-NE 3.84Å; E208-R211 IonicContact OE2-NH1 3.41Å; E208-R211 PolarHBondContact OE2-NH1 3.11Å; E209-R211 PolarHBondContact O-N 3.17Å; R211-R215 WeakPolarHBondContact O-CB 3.46Å; R211-R215 PolarHBondContact O-N 3.49Å; R211-R215 VanDerWaalsContact O-N 3.07Å; R211-F263 HydrophobicContact CB-CE2 3.68Å; R211-F263 HydrophobicContact CB-CZ 3.78Å; R211-F263 HydrophobicContact CG-CD2 4.49Å; R211-F263 HydrophobicContact CG-CE2 3.89Å; R211-F263 HydrophobicContact CG-CZ 3.99Å |
| 212 | E | 78.9 | Confident | 74.4 | Confident | 123 Ų | 123 | 77.9 Ų | 77.9 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 169.8 | -72.2 | -151.2 | 144.4 | 0 | 0 | 110.2 | E208 E209 R215 E216 | E208-E212 WeakPolarHBondContact O-CG 3.38Å; E208-E212 PolarHBondContact O-N 3.19Å; E209-E212 PolarHBondContact O-N 2.91Å; E212-R215 PolarHBondContact O-N 2.76Å; E212-E216 PolarHBondContact O-N 3.09Å; E212-E216 VanDerWaalsContact O-N 3.1Å |
| 213 | A | 77.8 | Confident | 75.2 | Confident | 13 Ų | 13 | 78.3 Ų | 78.3 | 11% | 0.107 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.2 | -54.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | E209 R215 E216 F217 M237 | E209-A213 WeakPolarHBondContact O-CB 3.43Å; E209-A213 PolarHBondContact O-N 3.43Å; A213-R215 PolarHBondContact O-N 2.87Å; A213-R215 VanDerWaalsContact O-N 3.16Å; A213-E216 WeakPolarHBondContact O-CA 3.23Å; A213-E216 WeakPolarHBondContact O-CB 3.24Å; A213-E216 PolarHBondContact O-N 3.3Å; A213-F217 WeakPolarHBondContact O-CD2 3.08Å; A213-F217 PolarHBondContact O-N 3.39Å; A213-M237 HydrophobicContact CB-CG 3.9Å; A213-M237 HydrophobicContact CB-SD 3.56Å; A213-M237 VanDerWaalsContact CB-SD 3.56Å |
| 214 | F | 78.5 | Confident | 76 | Confident | 15 Ų | 15 | 78.7 Ų | 78.7 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -50.4 | -45.7 | 179.1 | -170 | -82.9 | 0 | 0 | 0 | 111.9 | L210 E216 F217 D218 G223 I225 D262 F263 F266 | L210-F214 WeakPolarHBondContact O-CB 3.43Å; L210-F214 PolarHBondContact O-N 3.4Å; F214-E216 VanDerWaalsContact C-N 3.3Å; F214-E216 PolarHBondContact O-N 3.32Å; F214-F217 PolarHBondContact O-N 3.09Å; F214-D218 HydrophobicContact CD1-CB 4.19Å; F214-D218 HydrophobicContact CE1-CB 4Å; F214-D218 WeakPolarHBondContact O-CB 3.33Å; F214-D218 PolarHBondContact O-N 3.15Å; F214-G223 WeakPolarHBondContact CZ-O 3.25Å; F214-I225 HydrophobicContact CB-CD1 4.37Å; F214-I225 HydrophobicContact CD1-CD1 4.4Å; F214-I225 HydrophobicContact CD2-CD1 3.32Å; F214-I225 HydrophobicContact CD2-CG1 4.01Å; F214-I225 HydrophobicContact CE1-CG1 4.44Å; F214-I225 HydrophobicContact CE2-CB 4.44Å; F214-I225 HydrophobicContact CE2-CD1 3.54Å; F214-I225 HydrophobicContact CE2-CG1 3.69Å; F214-I225 HydrophobicContact CG-CD1 3.8Å; F214-I225 HydrophobicContact CZ-CD1 4.17Å; F214-I225 HydrophobicContact CZ-CG1 3.93Å; F214-D262 WeakPolarHBondContact CE2-O 3.42Å; F214-F263 HydrophobicContact CB-CD2 3.95Å; F214-F263 HydrophobicContact CB-CE2 4.33Å; F214-F263 HydrophobicContact CD1-CD2 4.4Å; F214-F263 HydrophobicContact CD2-CB 4.41Å; F214-F263 AromaticContact CD2-CD2 3.95Å; F214-F263 HydrophobicContact CD2-CD2 3.95Å; F214-F263 HydrophobicContact CE2-CB 4.25Å; F214-F263 AromaticContact CG-CD2 3.84Å; F214-F263 HydrophobicContact CG-CD2 3.84Å; F214-F263 HydrophobicContact CZ-CB 4.3Å; F214-F266 HydrophobicContact CB-CD1 4.38Å; F214-F266 HydrophobicContact CB-CE1 4.32Å; F214-F266 HydrophobicContact CD2-CB 3.78Å; F214-F266 AromaticContact CD2-CD1 3.83Å; F214-F266 HydrophobicContact CD2-CD1 3.83Å; F214-F266 HydrophobicContact CD2-CD2 4.16Å; F214-F266 HydrophobicContact CD2-CE1 4.43Å; F214-F266 AromaticContact CD2-CG 3.67Å; F214-F266 HydrophobicContact CD2-CG 3.67Å; F214-F266 HydrophobicContact CE2-CB 3.9Å; F214-F266 HydrophobicContact CE2-CG 4.24Å |
| 215 | R | 80.8 | Confident | 76.8 | Confident | 122 Ų | 122 | 74.1 Ų | 74.1 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.6 | -21.2 | 177.8 | -166.2 | -171.6 | -60.7 | 141.7 | 5.4 | 114.4 | E208 R211 E212 A213 | E208-R215 IonicContact OE1-NH2 2.87Å; R211-R215 WeakPolarHBondContact O-CB 3.46Å; R211-R215 PolarHBondContact O-N 3.49Å; R211-R215 VanDerWaalsContact O-N 3.07Å; E212-R215 PolarHBondContact O-N 2.76Å; A213-R215 PolarHBondContact O-N 2.87Å; A213-R215 VanDerWaalsContact O-N 3.16Å |
| 216 | E | 79.4 | Confident | 77.4 | Confident | 104 Ų | 104 | 72.4 Ų | 72.4 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -79.2 | -29.5 | 173.6 | -168.4 | 175.9 | 149.7 | 0 | 0 | 112 | E212 A213 F214 | E212-E216 PolarHBondContact O-N 3.09Å; E212-E216 VanDerWaalsContact O-N 3.1Å; A213-E216 WeakPolarHBondContact O-CA 3.23Å; A213-E216 WeakPolarHBondContact O-CB 3.24Å; A213-E216 PolarHBondContact O-N 3.3Å; F214-E216 VanDerWaalsContact C-N 3.3Å; F214-E216 PolarHBondContact O-N 3.32Å |
| 217 | F | 75.1 | Confident | 77.5 | Confident | 19 Ų | 19 | 73.3 Ų | 73.3 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -92.9 | -36.9 | -179.7 | -68.6 | -79.8 | 0 | 0 | 0 | 113.5 | A213 F214 K219 I225 N232 C233 T236 | A213-F217 WeakPolarHBondContact O-CD2 3.08Å; A213-F217 PolarHBondContact O-N 3.39Å; F214-F217 PolarHBondContact O-N 3.09Å; F217-K219 VanDerWaalsContact C-N 3.29Å; F217-K219 PolarHBondContact O-N 2.88Å; F217-I225 HydrophobicContact CB-CD1 3.94Å; F217-I225 HydrophobicContact CB-CG1 4.44Å; F217-N232 HydrophobicContact CE1-CB 4.06Å; F217-C233 HydrophobicContact CB-CB 4.32Å; F217-C233 HydrophobicContact CD1-CB 3.83Å; F217-C233 HydrophobicContact CD2-CB 3.48Å; F217-C233 VanDerWaalsContact CD2-CB 3.48Å; F217-C233 WeakPolarHBondContact CD2-SG 3.29Å; F217-C233 HydrophobicContact CE1-CB 4.14Å; F217-C233 HydrophobicContact CE2-CB 3.85Å; F217-C233 HydrophobicContact CG-CB 3.54Å; F217-C233 VanDerWaalsContact CZ-CA 3.49Å; F217-C233 HydrophobicContact CZ-CB 4.18Å; F217-T236 HydrophobicContact CE2-CG2 4.19Å; F217-T236 HydrophobicContact CZ-CG2 3.97Å; F217-T236 WeakPolarHBondContact CZ-OG1 3.37Å |
| 218 | D | 80.6 | Confident | 77.5 | Confident | 14 Ų | 14 | 80.7 Ų | 80.7 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | trans | -72.4 | 80.5 | 167.4 | 179.4 | 11.8 | 0 | 0 | 0 | 110.4 | F214 K221 D222 G223 I225 | F214-D218 HydrophobicContact CD1-CB 4.19Å; F214-D218 HydrophobicContact CE1-CB 4Å; F214-D218 WeakPolarHBondContact O-CB 3.33Å; F214-D218 PolarHBondContact O-N 3.15Å; D218-K221 WeakPolarHBondContact OD1-CA 3.45Å; D218-K221 PolarHBondContact OD1-N 2.93Å; D218-K221 WeakPolarHBondContact OD2-CA 3.43Å; D218-D222 PolarHBondContact OD1-N 3.1Å; D218-D222 VanDerWaalsContact OD1-N 3.1Å; D218-G223 WeakPolarHBondContact OD2-CA 3.41Å; D218-G223 PolarHBondContact OD2-N 2.85Å; D218-G223 VanDerWaalsContact OD2-N 3.09Å; D218-I225 HydrophobicContact CB-CG1 4.47Å | ||
| 219 | K | 74 | Confident | 77.7 | Confident | 152 Ų | 152 | 79.5 Ų | 79.5 | 66% | 0.661 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -78.7 | -32.1 | -177.5 | -71.4 | 168.1 | -174.5 | 154.6 | 0 | 112.3 | F217 K221 | F217-K219 VanDerWaalsContact C-N 3.29Å; F217-K219 PolarHBondContact O-N 2.88Å; K219-K221 VanDerWaalsContact C-N 3.27Å |
| 220 | D | 77.4 | Confident | 77.9 | Confident | 118 Ų | 118 | 73.8 Ų | 73.8 | 63% | 0.631 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -65.8 | -33.4 | 174.8 | -39.3 | 55.7 | 0 | 0 | 0 | 110.9 | D222 | D220-D222 VanDerWaalsContact C-N 3.27Å; D220-D222 HydrophobicContact CB-CB 4.13Å |
| 221 | K | 77.8 | Confident | 78 | Confident | 162 Ų | 162 | 73.9 Ų | 73.9 | 70% | 0.704 | 34% | 0.341 | S | S | * | . | trans | 60.9 | 37.4 | -167.1 | -55.5 | -177.7 | -177.5 | -178.9 | 0 | 111.9 | D218 K219 G223 | D218-K221 WeakPolarHBondContact OD1-CA 3.45Å; D218-K221 PolarHBondContact OD1-N 2.93Å; D218-K221 WeakPolarHBondContact OD2-CA 3.43Å; K219-K221 VanDerWaalsContact C-N 3.27Å; K221-G223 VanDerWaalsContact C-N 3.29Å | ||
| 222 | D | 79.1 | Confident | 78 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -83.7 | -10.6 | 175.9 | 78.7 | -11.4 | 0 | 0 | 0 | 112.3 | D218 D220 Y224 | D218-D222 PolarHBondContact OD1-N 3.1Å; D218-D222 VanDerWaalsContact OD1-N 3.1Å; D220-D222 VanDerWaalsContact C-N 3.27Å; D220-D222 HydrophobicContact CB-CB 4.13Å; D222-Y224 WeakPolarHBondContact O-CD2 3.42Å; D222-Y224 PolarHBondContact OD1-N 2.8Å |
| 223 | G | 78.8 | Confident | 77.9 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 91.7 | 7.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | F214 D218 K221 | F214-G223 WeakPolarHBondContact CZ-O 3.25Å; D218-G223 WeakPolarHBondContact OD2-CA 3.41Å; D218-G223 PolarHBondContact OD2-N 2.85Å; D218-G223 VanDerWaalsContact OD2-N 3.09Å; K221-G223 VanDerWaalsContact C-N 3.29Å |
| 224 | Y | 81.9 | Confident | 77.8 | Confident | 105 Ų | 105 | 65.2 Ų | 65.2 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | trans | -131.8 | 148.2 | -175 | -59.5 | -75.6 | 0 | 0 | 0 | 113 | D222 H260 V261 D262 | D222-Y224 WeakPolarHBondContact O-CD2 3.42Å; D222-Y224 PolarHBondContact OD1-N 2.8Å; Y224-H260 HydrophobicContact CD1-CB 3.75Å; Y224-H260 HydrophobicContact CE1-CB 4.43Å; Y224-H260 HydrophobicContact CG-CB 4.06Å; Y224-V261 CarbonylContact C-O 3.53Å; Y224-V261 VanDerWaalsContact CA-O 3.29Å; Y224-V261 WeakPolarHBondContact CA-O 3.49Å; Y224-D262 HydrophobicContact CD1-CB 4.07Å; Y224-D262 HydrophobicContact CE1-CB 3.93Å | ||
| 225 | I | 80 | Confident | 77.8 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.8 | 171.2 | -65.4 | 178.8 | 0 | 0 | 0 | 110 | F214 F217 D218 D229 L230 V261 F266 | F214-I225 HydrophobicContact CB-CD1 4.37Å; F214-I225 HydrophobicContact CD1-CD1 4.4Å; F214-I225 HydrophobicContact CD2-CD1 3.32Å; F214-I225 HydrophobicContact CD2-CG1 4.01Å; F214-I225 HydrophobicContact CE1-CG1 4.44Å; F214-I225 HydrophobicContact CE2-CB 4.44Å; F214-I225 HydrophobicContact CE2-CD1 3.54Å; F214-I225 HydrophobicContact CE2-CG1 3.69Å; F214-I225 HydrophobicContact CG-CD1 3.8Å; F214-I225 HydrophobicContact CZ-CD1 4.17Å; F214-I225 HydrophobicContact CZ-CG1 3.93Å; F217-I225 HydrophobicContact CB-CD1 3.94Å; F217-I225 HydrophobicContact CB-CG1 4.44Å; D218-I225 HydrophobicContact CB-CG1 4.47Å; I225-D229 HydrophobicContact CG2-CB 4.31Å; I225-L230 HydrophobicContact CG2-CB 4.11Å; I225-V261 PolarHBondContact N-O 2.92Å; I225-V261 WeakPolarHBondContact O-CG2 3.46Å; I225-V261 PolarHBondContact O-N 2.78Å; I225-F266 HydrophobicContact CD1-CD2 4.18Å; I225-F266 HydrophobicContact CD1-CE2 4.21Å |
| 226 | N | 76.3 | Confident | 77.4 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 145.7 | 173.7 | -68 | -53 | 0 | 0 | 0 | 111.1 | R228 D229 L230 | N226-R228 PolarHBondContact O-N 3.21Å; N226-D229 PolarHBondContact O-N 3.3Å; N226-L230 PolarHBondContact O-N 3.07Å |
| 227 | C | 71.8 | Confident | 76.7 | Confident | 30 Ų | 30 | 65 Ų | 65 | 20% | 0.203 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -51.3 | -30.4 | 178.9 | -60.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 228 | R | 74.7 | Confident | 76.2 | Confident | 217 Ų | 217 | 66.4 Ų | 66.4 | 82% | 0.819 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.5 | -35.5 | 177.6 | -171.1 | 178.6 | -173.1 | -179.7 | 2.8 | 112.7 | N226 N232 | N226-R228 PolarHBondContact O-N 3.21Å; R228-N232 PolarHBondContact O-ND2 3.08Å |
| 229 | D | 78.9 | Confident | 75.7 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -86.6 | -29.3 | -179.4 | -65.6 | -66.7 | 0 | 0 | 0 | 111.4 | I225 N226 G231 N232 C233 | I225-D229 HydrophobicContact CG2-CB 4.31Å; N226-D229 PolarHBondContact O-N 3.3Å; D229-G231 VanDerWaalsContact C-N 3.29Å; D229-G231 PolarHBondContact O-N 3.19Å; D229-N232 CarbonylContact O-C 3.58Å; D229-N232 WeakPolarHBondContact O-CA 3.46Å; D229-N232 WeakPolarHBondContact O-CB 3.21Å; D229-N232 PolarHBondContact O-N 3.23Å; D229-C233 WeakPolarHBondContact O-CB 3.42Å; D229-C233 PolarHBondContact O-N 3.04Å |
| 230 | L | 78.9 | Confident | 75.5 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -52.2 | -45.9 | 168.3 | -178.3 | 64.2 | 0 | 0 | 0 | 111.9 | I225 N226 N232 C233 M234 I253 F266 M270 | I225-L230 HydrophobicContact CG2-CB 4.11Å; N226-L230 PolarHBondContact O-N 3.07Å; L230-N232 PolarHBondContact O-N 2.97Å; L230-C233 VanDerWaalsContact O-CB 3.32Å; L230-C233 WeakPolarHBondContact O-CB 3.48Å; L230-C233 PolarHBondContact O-N 2.89Å; L230-C233 VanDerWaalsContact O-N 3.12Å; L230-M234 WeakPolarHBondContact O-CB 3.3Å; L230-M234 VanDerWaalsContact O-CG 3.31Å; L230-M234 WeakPolarHBondContact O-CG 3.35Å; L230-M234 PolarHBondContact O-N 2.94Å; L230-I253 HydrophobicContact CD2-CD1 3.33Å; L230-F266 HydrophobicContact CD1-CD2 3.87Å; L230-F266 HydrophobicContact CD1-CE2 3.79Å; L230-M270 HydrophobicContact CD1-SD 4.1Å |
| 231 | G | 78.5 | Confident | 75.3 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.7 | -12.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | D229 R235 L246 | D229-G231 VanDerWaalsContact C-N 3.29Å; D229-G231 PolarHBondContact O-N 3.19Å; G231-R235 VanDerWaalsContact O-CZ 3.28Å; G231-R235 PolarHBondContact O-NE 3.36Å; G231-R235 PolarHBondContact O-NH2 2.76Å; G231-L246 VanDerWaalsContact CA-CD2 3.43Å |
| 232 | N | 78.4 | Confident | 75.5 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -92.2 | -38.6 | 168.3 | -63.8 | -37.3 | 0 | 0 | 0 | 110.6 | F217 R228 D229 L230 M234 R235 T236 | F217-N232 HydrophobicContact CE1-CB 4.06Å; R228-N232 PolarHBondContact O-ND2 3.08Å; D229-N232 CarbonylContact O-C 3.58Å; D229-N232 WeakPolarHBondContact O-CA 3.46Å; D229-N232 WeakPolarHBondContact O-CB 3.21Å; D229-N232 PolarHBondContact O-N 3.23Å; L230-N232 PolarHBondContact O-N 2.97Å; N232-M234 PolarHBondContact O-N 3.38Å; N232-R235 PolarHBondContact O-N 3.2Å; N232-R235 VanDerWaalsContact O-N 3.13Å; N232-T236 PolarHBondContact O-N 3.22Å; N232-T236 PolarHBondContact O-OG1 2.87Å |
| 233 | C | 77 | Confident | 75.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.5 | -51.9 | 174 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | F217 D229 L230 R235 T236 M237 F266 | F217-C233 HydrophobicContact CB-CB 4.32Å; F217-C233 HydrophobicContact CD1-CB 3.83Å; F217-C233 HydrophobicContact CD2-CB 3.48Å; F217-C233 VanDerWaalsContact CD2-CB 3.48Å; F217-C233 WeakPolarHBondContact CD2-SG 3.29Å; F217-C233 HydrophobicContact CE1-CB 4.14Å; F217-C233 HydrophobicContact CE2-CB 3.85Å; F217-C233 HydrophobicContact CG-CB 3.54Å; F217-C233 VanDerWaalsContact CZ-CA 3.49Å; F217-C233 HydrophobicContact CZ-CB 4.18Å; D229-C233 WeakPolarHBondContact O-CB 3.42Å; D229-C233 PolarHBondContact O-N 3.04Å; L230-C233 VanDerWaalsContact O-CB 3.32Å; L230-C233 WeakPolarHBondContact O-CB 3.48Å; L230-C233 PolarHBondContact O-N 2.89Å; L230-C233 VanDerWaalsContact O-N 3.12Å; C233-R235 VanDerWaalsContact C-N 3.29Å; C233-R235 PolarHBondContact O-N 2.83Å; C233-T236 PolarHBondContact O-N 2.98Å; C233-T236 VanDerWaalsContact O-N 3.1Å; C233-M237 WeakPolarHBondContact O-CG 3.4Å; C233-M237 PolarHBondContact O-N 3.18Å; C233-M237 VanDerWaalsContact SG-CE 3.55Å; C233-F266 VanDerWaalsContact SG-CE2 3.54Å; C233-F266 WeakPolarHBondContact SG-CZ 3.38Å |
| 234 | M | 76.4 | Confident | 75.6 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -46.4 | -51.2 | 171.7 | -76.4 | -171.5 | 139.7 | 0 | 0 | 112.6 | L230 N232 T236 M237 G238 Y239 P241 L246 L249 M270 | L230-M234 WeakPolarHBondContact O-CB 3.3Å; L230-M234 VanDerWaalsContact O-CG 3.31Å; L230-M234 WeakPolarHBondContact O-CG 3.35Å; L230-M234 PolarHBondContact O-N 2.94Å; N232-M234 PolarHBondContact O-N 3.38Å; M234-T236 PolarHBondContact O-N 3.02Å; M234-M237 CarbonylContact O-C 3.58Å; M234-M237 PolarHBondContact O-N 2.78Å; M234-G238 PolarHBondContact O-N 3.09Å; M234-Y239 CarbonylContact C-O 3.16Å; M234-Y239 HydrophobicContact CB-CD1 3.83Å; M234-Y239 HydrophobicContact CE-CD1 3.64Å; M234-Y239 HydrophobicContact CE-CE1 3.39Å; M234-Y239 HydrophobicContact CG-CD1 3.83Å; M234-Y239 HydrophobicContact CG-CE1 4.38Å; M234-Y239 PolarHBondContact O-N 2.73Å; M234-Y239 VanDerWaalsContact O-O 3.05Å; M234-Y239 HydrophobicContact SD-CD1 3.71Å; M234-Y239 HydrophobicContact SD-CE1 3.64Å; M234-P241 HydrophobicContact CB-CG 4.08Å; M234-P241 HydrophobicContact SD-CB 4.12Å; M234-P241 HydrophobicContact SD-CG 3.79Å; M234-L246 HydrophobicContact SD-CD2 4.45Å; M234-L249 HydrophobicContact CE-CD1 3.39Å; M234-L249 HydrophobicContact SD-CD1 3.9Å; M234-M270 HydrophobicContact CE-CE 3.8Å; M234-M270 HydrophobicContact CE-SD 3.36Å; M234-M270 WeakPolarHBondContact CE-SD 3.41Å; M234-M270 HydrophobicContact CG-CE 3.91Å; M234-M270 HydrophobicContact CG-SD 3.72Å; M234-M270 HydrophobicContact SD-SD 4.39Å |
| 235 | R | 78.7 | Confident | 75.5 | Confident | 123 Ų | 123 | 61.4 Ų | 61.4 | 46% | 0.464 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.5 | -33.5 | -178.9 | -77.3 | -178.2 | -92.4 | -125.8 | -3.3 | 113.8 | G231 N232 C233 G238 Y239 M240 | G231-R235 VanDerWaalsContact O-CZ 3.28Å; G231-R235 PolarHBondContact O-NE 3.36Å; G231-R235 PolarHBondContact O-NH2 2.76Å; N232-R235 PolarHBondContact O-N 3.2Å; N232-R235 VanDerWaalsContact O-N 3.13Å; C233-R235 VanDerWaalsContact C-N 3.29Å; C233-R235 PolarHBondContact O-N 2.83Å; R235-G238 PolarHBondContact O-N 3.3Å; R235-Y239 WeakPolarHBondContact CA-O 3.4Å; R235-Y239 PolarHBondContact N-O 3.05Å; R235-M240 HydrophobicContact CG-CG 4.42Å |
| 236 | T | 70.9 | Confident | 75.5 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72 | -32.7 | 174.5 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | L18 F217 N232 C233 M234 G238 | L18-T236 HydrophobicContact CD1-CG2 4.03Å; F217-T236 HydrophobicContact CE2-CG2 4.19Å; F217-T236 HydrophobicContact CZ-CG2 3.97Å; F217-T236 WeakPolarHBondContact CZ-OG1 3.37Å; N232-T236 PolarHBondContact O-N 3.22Å; N232-T236 PolarHBondContact O-OG1 2.87Å; C233-T236 PolarHBondContact O-N 2.98Å; C233-T236 VanDerWaalsContact O-N 3.1Å; M234-T236 PolarHBondContact O-N 3.02Å; T236-G238 PolarHBondContact O-N 3.26Å |
| 237 | M | 66.1 | Low | 75.7 | Confident | 46 Ų | 46 | 63.3 Ų | 63.3 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -0.5 | 170.8 | -63.2 | -176.8 | -61.9 | 0 | 0 | 113.4 | L210 A213 C233 M234 F266 M270 | L210-M237 HydrophobicContact CD2-SD 3.93Å; A213-M237 HydrophobicContact CB-CG 3.9Å; A213-M237 HydrophobicContact CB-SD 3.56Å; A213-M237 VanDerWaalsContact CB-SD 3.56Å; C233-M237 WeakPolarHBondContact O-CG 3.4Å; C233-M237 PolarHBondContact O-N 3.18Å; C233-M237 VanDerWaalsContact SG-CE 3.55Å; M234-M237 CarbonylContact O-C 3.58Å; M234-M237 PolarHBondContact O-N 2.78Å; M237-F266 HydrophobicContact CE-CE2 4.28Å; M237-F266 HydrophobicContact CE-CZ 3.71Å; M237-F266 HydrophobicContact SD-CZ 3.98Å; M237-M270 HydrophobicContact CE-CE 3.45Å; M237-M270 VanDerWaalsContact CE-CE 3.45Å; M237-M270 HydrophobicContact CE-CG 4.11Å; M237-M270 HydrophobicContact CE-SD 3.96Å |
| 238 | G | 64.4 | Low | 76.2 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 49% | 0.485 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -4.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | M234 R235 T236 | M234-G238 PolarHBondContact O-N 3.09Å; R235-G238 PolarHBondContact O-N 3.3Å; T236-G238 PolarHBondContact O-N 3.26Å |
| 239 | Y | 70.2 | Confident | 76.3 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | trans | -84.9 | 127.3 | 176.2 | 176.9 | -121 | 0 | 0 | 0 | 110.3 | M234 R235 P241 E245 K273 E277 | M234-Y239 CarbonylContact C-O 3.16Å; M234-Y239 HydrophobicContact CB-CD1 3.83Å; M234-Y239 HydrophobicContact CE-CD1 3.64Å; M234-Y239 HydrophobicContact CE-CE1 3.39Å; M234-Y239 HydrophobicContact CG-CD1 3.83Å; M234-Y239 HydrophobicContact CG-CE1 4.38Å; M234-Y239 PolarHBondContact O-N 2.73Å; M234-Y239 VanDerWaalsContact O-O 3.05Å; M234-Y239 HydrophobicContact SD-CD1 3.71Å; M234-Y239 HydrophobicContact SD-CE1 3.64Å; R235-Y239 WeakPolarHBondContact CA-O 3.4Å; R235-Y239 PolarHBondContact N-O 3.05Å; Y239-P241 VanDerWaalsContact C-CD 3.46Å; Y239-P241 HydrophobicContact CD1-CB 4.24Å; Y239-P241 HydrophobicContact CD1-CG 4.3Å; Y239-P241 HydrophobicContact CE1-CB 3.59Å; Y239-P241 HydrophobicContact CE1-CG 4.12Å; Y239-P241 WeakPolarHBondContact O-CD 3.23Å; Y239-E245 VanDerWaalsContact OH-CD 3.23Å; Y239-E245 PolarHBondContact OH-OE1 2.94Å; Y239-K273 HydrophobicContact CE1-CB 4.49Å; Y239-K273 HydrophobicContact CE1-CD 4.22Å; Y239-K273 HydrophobicContact CE1-CG 4.43Å; Y239-K273 HydrophobicContact CE2-CD 4.26Å; Y239-K273 WeakPolarHBondContact OH-CE 3.44Å; Y239-K273 PolarHBondContact OH-NZ 2.88Å; Y239-E277 HydrophobicContact CD2-CB 3.8Å; Y239-E277 VanDerWaalsContact CD2-CD 3.46Å; Y239-E277 HydrophobicContact CD2-CG 4.22Å; Y239-E277 WeakPolarHBondContact CD2-OE2 3.28Å; Y239-E277 HydrophobicContact CE2-CB 3.86Å; Y239-E277 HydrophobicContact CE2-CG 4.12Å; Y239-E277 VanDerWaalsContact CE2-OE1 3.29Å; Y239-E277 WeakPolarHBondContact CE2-OE1 3.33Å; Y239-E277 WeakPolarHBondContact CE2-OE2 3.08Å | ||
| 240 | M | 69.7 | Low | 76.2 | Confident | 146 Ų | 146 | 56.7 Ų | 56.7 | 72% | 0.719 | 30% | 0.296 | S | S | * | . | trans | -108.4 | 77.4 | 179.8 | -78.7 | -154.5 | -67.2 | 0 | 0 | 111.2 | R235 | R235-M240 HydrophobicContact CG-CG 4.42Š| ||
| 241 | P | 72.5 | Confident | 76.2 | Confident | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | trans | -61 | 142.4 | -177.4 | 27.1 | -36.7 | 0 | 0 | 0 | 111.5 | M234 Y239 E245 L246 | M234-P241 HydrophobicContact CB-CG 4.08Å; M234-P241 HydrophobicContact SD-CB 4.12Å; M234-P241 HydrophobicContact SD-CG 3.79Å; Y239-P241 VanDerWaalsContact C-CD 3.46Å; Y239-P241 HydrophobicContact CD1-CB 4.24Å; Y239-P241 HydrophobicContact CD1-CG 4.3Å; Y239-P241 HydrophobicContact CE1-CB 3.59Å; Y239-P241 HydrophobicContact CE1-CG 4.12Å; Y239-P241 WeakPolarHBondContact O-CD 3.23Å; P241-E245 HydrophobicContact CB-CB 4.38Å; P241-L246 HydrophobicContact CB-CD1 4.45Å; P241-L246 HydrophobicContact CB-CD2 4.42Å; P241-L246 HydrophobicContact CB-CG 3.96Å; P241-L246 HydrophobicContact CG-CD1 4.05Å; P241-L246 HydrophobicContact CG-CD2 3.98Å; P241-L246 HydrophobicContact CG-CG 3.87Å | ||
| 242 | T | 82.3 | Confident | 76.1 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | trans | -66.6 | 160.8 | 167 | 63.2 | 0 | 0 | 0 | 0 | 111 | M244 E245 L246 | T242-M244 PolarHBondContact O-N 2.78Å; T242-E245 WeakPolarHBondContact CB-OE2 3.31Å; T242-E245 WeakPolarHBondContact CG2-OE2 3.35Å; T242-E245 PolarHBondContact N-OE2 3.29Å; T242-E245 PolarHBondContact O-N 2.77Å; T242-E245 WeakPolarHBondContact OG1-CG 3.45Å; T242-E245 PolarHBondContact OG1-N 3.26Å; T242-E245 PolarHBondContact OG1-OE2 2.9Å; T242-L246 PolarHBondContact O-N 3.24Å | ||
| 243 | E | 80.6 | Confident | 76 | Confident | 160 Ų | 160 | 63.2 Ų | 63.2 | 75% | 0.748 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.9 | -30.4 | 174.9 | -170.6 | 166.7 | -159.4 | 0 | 0 | 111.8 | I247 | E243-I247 HydrophobicContact CG-CD1 4.17Å; E243-I247 WeakPolarHBondContact O-CB 3.49Å; E243-I247 WeakPolarHBondContact O-CD1 3.4Å; E243-I247 WeakPolarHBondContact O-CG1 3.13Å; E243-I247 PolarHBondContact O-N 2.69Å; E243-I247 VanDerWaalsContact O-N 3.07Å |
| 244 | M | 80.1 | Confident | 75.7 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 60% | 0.596 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.5 | -49.7 | 174.4 | -167.5 | 66.4 | 69.9 | 0 | 0 | 111.7 | T242 L246 I247 E248 | T242-M244 PolarHBondContact O-N 2.78Å; M244-L246 VanDerWaalsContact C-N 3.33Å; M244-L246 PolarHBondContact O-N 2.8Å; M244-I247 WeakPolarHBondContact O-CA 3.47Å; M244-I247 WeakPolarHBondContact O-CB 3.11Å; M244-I247 PolarHBondContact O-N 3.14Å; M244-I247 VanDerWaalsContact O-N 3.07Å; M244-E248 WeakPolarHBondContact O-CG 3.35Å; M244-E248 PolarHBondContact O-N 2.71Å |
| 245 | E | 79.4 | Confident | 75.5 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 179.3 | -70.2 | 165.7 | 109.3 | 0 | 0 | 112 | Y239 P241 T242 I247 E248 L249 K273 | Y239-E245 VanDerWaalsContact OH-CD 3.23Å; Y239-E245 PolarHBondContact OH-OE1 2.94Å; P241-E245 HydrophobicContact CB-CB 4.38Å; T242-E245 WeakPolarHBondContact CB-OE2 3.31Å; T242-E245 WeakPolarHBondContact CG2-OE2 3.35Å; T242-E245 PolarHBondContact N-OE2 3.29Å; T242-E245 PolarHBondContact O-N 2.77Å; T242-E245 WeakPolarHBondContact OG1-CG 3.45Å; T242-E245 PolarHBondContact OG1-N 3.26Å; T242-E245 PolarHBondContact OG1-OE2 2.9Å; E245-I247 VanDerWaalsContact C-N 3.29Å; E245-I247 PolarHBondContact O-N 3.45Å; E245-E248 PolarHBondContact O-N 2.85Å; E245-L249 WeakPolarHBondContact O-CB 3.42Å; E245-L249 WeakPolarHBondContact O-CD1 3.02Å; E245-L249 WeakPolarHBondContact O-CG 3.04Å; E245-L249 PolarHBondContact O-N 3.15Å; E245-K273 IonicContact OE1-NZ 3.79Å; E245-K273 PolarHBondContact OE1-NZ 3.24Å |
| 246 | L | 79.4 | Confident | 74.9 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 20% | 0.199 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.3 | -40 | 172.3 | -79.3 | 165.4 | 0 | 0 | 0 | 112 | G231 M234 P241 T242 M244 S250 | G231-L246 VanDerWaalsContact CA-CD2 3.43Å; M234-L246 HydrophobicContact SD-CD2 4.45Å; P241-L246 HydrophobicContact CB-CD1 4.45Å; P241-L246 HydrophobicContact CB-CD2 4.42Å; P241-L246 HydrophobicContact CB-CG 3.96Å; P241-L246 HydrophobicContact CG-CD1 4.05Å; P241-L246 HydrophobicContact CG-CD2 3.98Å; P241-L246 HydrophobicContact CG-CG 3.87Å; T242-L246 PolarHBondContact O-N 3.24Å; M244-L246 VanDerWaalsContact C-N 3.33Å; M244-L246 PolarHBondContact O-N 2.8Å; L246-S250 WeakPolarHBondContact O-CB 3.38Å; L246-S250 PolarHBondContact O-N 3.19Å; L246-S250 PolarHBondContact O-OG 3.49Å |
| 247 | I | 81.3 | Confident | 74.6 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 175.8 | -71.8 | 164.3 | 0 | 0 | 0 | 110.2 | E243 M244 E245 S250 Q251 | E243-I247 HydrophobicContact CG-CD1 4.17Å; E243-I247 WeakPolarHBondContact O-CB 3.49Å; E243-I247 WeakPolarHBondContact O-CD1 3.4Å; E243-I247 WeakPolarHBondContact O-CG1 3.13Å; E243-I247 PolarHBondContact O-N 2.69Å; E243-I247 VanDerWaalsContact O-N 3.07Å; M244-I247 WeakPolarHBondContact O-CA 3.47Å; M244-I247 WeakPolarHBondContact O-CB 3.11Å; M244-I247 PolarHBondContact O-N 3.14Å; M244-I247 VanDerWaalsContact O-N 3.07Å; E245-I247 VanDerWaalsContact C-N 3.29Å; E245-I247 PolarHBondContact O-N 3.45Å; I247-S250 PolarHBondContact O-N 2.87Å; I247-S250 PolarHBondContact O-OG 2.93Å; I247-Q251 WeakPolarHBondContact O-CG 3.45Å; I247-Q251 PolarHBondContact O-N 3.3Å |
| 248 | E | 82.4 | Confident | 74.7 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 51% | 0.514 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 178.3 | -71.3 | 172.5 | 167.4 | 0 | 0 | 112.1 | M244 E245 S250 Q251 Q252 | M244-E248 WeakPolarHBondContact O-CG 3.35Å; M244-E248 PolarHBondContact O-N 2.71Å; E245-E248 PolarHBondContact O-N 2.85Å; E248-S250 PolarHBondContact O-N 2.74Å; E248-Q251 PolarHBondContact O-N 2.99Å; E248-Q251 VanDerWaalsContact O-N 3.13Å; E248-Q252 WeakPolarHBondContact O-CB 3.04Å; E248-Q252 PolarHBondContact O-N 2.93Å |
| 249 | L | 77.4 | Confident | 75 | Confident | 13 Ų | 13 | 74 Ų | 74 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60 | -45 | 176.4 | -68.6 | 162.4 | 0 | 0 | 0 | 111.2 | M234 E245 Q251 Q252 I253 L269 | M234-L249 HydrophobicContact CE-CD1 3.39Å; M234-L249 HydrophobicContact SD-CD1 3.9Å; E245-L249 WeakPolarHBondContact O-CB 3.42Å; E245-L249 WeakPolarHBondContact O-CD1 3.02Å; E245-L249 WeakPolarHBondContact O-CG 3.04Å; E245-L249 PolarHBondContact O-N 3.15Å; L249-Q251 VanDerWaalsContact C-N 3.27Å; L249-Q251 PolarHBondContact O-N 2.94Å; L249-Q252 PolarHBondContact O-N 3.18Å; L249-I253 WeakPolarHBondContact O-CB 3.25Å; L249-I253 VanDerWaalsContact O-CD1 3.31Å; L249-I253 WeakPolarHBondContact O-CD1 3.43Å; L249-I253 VanDerWaalsContact O-CG1 3.24Å; L249-I253 WeakPolarHBondContact O-CG1 3.44Å; L249-I253 PolarHBondContact O-N 2.86Å; L249-L269 HydrophobicContact CD2-CD2 3.85Å |
| 250 | S | 75.2 | Confident | 75.1 | Confident | 33 Ų | 33 | 78 Ų | 78 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.8 | -33 | 177 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | L246 I247 E248 N254 | L246-S250 WeakPolarHBondContact O-CB 3.38Å; L246-S250 PolarHBondContact O-N 3.19Å; L246-S250 PolarHBondContact O-OG 3.49Å; I247-S250 PolarHBondContact O-N 2.87Å; I247-S250 PolarHBondContact O-OG 2.93Å; E248-S250 PolarHBondContact O-N 2.74Å; S250-N254 VanDerWaalsContact O-CB 3.24Å; S250-N254 WeakPolarHBondContact O-CB 3.2Å; S250-N254 VanDerWaalsContact O-CG 3.25Å; S250-N254 PolarHBondContact O-N 3.11Å; S250-N254 PolarHBondContact O-ND2 3.41Å |
| 251 | Q | 79.8 | Confident | 75.6 | Confident | 114 Ų | 114 | 71 Ų | 71 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.9 | -42.5 | 175.2 | -73.2 | 178 | 36.5 | 0 | 0 | 111.4 | I247 E248 L249 I253 N254 M255 | I247-Q251 WeakPolarHBondContact O-CG 3.45Å; I247-Q251 PolarHBondContact O-N 3.3Å; E248-Q251 PolarHBondContact O-N 2.99Å; E248-Q251 VanDerWaalsContact O-N 3.13Å; L249-Q251 VanDerWaalsContact C-N 3.27Å; L249-Q251 PolarHBondContact O-N 2.94Å; Q251-I253 VanDerWaalsContact C-N 3.32Å; Q251-I253 PolarHBondContact O-N 3.24Å; Q251-N254 PolarHBondContact O-N 3.14Å; Q251-M255 WeakPolarHBondContact O-CB 3.49Å; Q251-M255 WeakPolarHBondContact O-CG 3.22Å; Q251-M255 PolarHBondContact O-N 3.39Å |
| 252 | Q | 76.7 | Confident | 76.1 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.3 | -170.4 | 170.9 | -6.8 | 0 | 0 | 111 | E248 L249 N256 | E248-Q252 WeakPolarHBondContact O-CB 3.04Å; E248-Q252 PolarHBondContact O-N 2.93Å; L249-Q252 PolarHBondContact O-N 3.18Å; Q252-N256 WeakPolarHBondContact O-CB 3.26Å; Q252-N256 PolarHBondContact O-N 3.46Å |
| 253 | I | 75 | Confident | 76 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.8 | -47.7 | 175.6 | -65.5 | 157.6 | 0 | 0 | 0 | 111.8 | L230 L249 Q251 M255 L257 G258 G259 V261 L269 | L230-I253 HydrophobicContact CD2-CD1 3.33Å; L249-I253 WeakPolarHBondContact O-CB 3.25Å; L249-I253 VanDerWaalsContact O-CD1 3.31Å; L249-I253 WeakPolarHBondContact O-CD1 3.43Å; L249-I253 VanDerWaalsContact O-CG1 3.24Å; L249-I253 WeakPolarHBondContact O-CG1 3.44Å; L249-I253 PolarHBondContact O-N 2.86Å; Q251-I253 VanDerWaalsContact C-N 3.32Å; Q251-I253 PolarHBondContact O-N 3.24Å; I253-M255 VanDerWaalsContact C-N 3.32Å; I253-M255 PolarHBondContact O-N 3.09Å; I253-L257 HydrophobicContact CG1-CD1 4.24Å; I253-L257 HydrophobicContact CG2-CB 4.4Å; I253-L257 CarbonylContact O-C 3.37Å; I253-L257 VanDerWaalsContact O-CA 3.32Å; I253-L257 WeakPolarHBondContact O-CA 3.4Å; I253-L257 WeakPolarHBondContact O-CB 3.49Å; I253-L257 PolarHBondContact O-N 2.85Å; I253-G258 PolarHBondContact O-N 2.74Å; I253-G259 PolarHBondContact O-N 2.99Å; I253-V261 HydrophobicContact CB-CG2 4.25Å; I253-V261 HydrophobicContact CD1-CG2 3.56Å; I253-V261 HydrophobicContact CG1-CG2 3.74Å; I253-V261 HydrophobicContact CG2-CG2 3.47Å; I253-V261 VanDerWaalsContact CG2-CG2 3.47Å; I253-L269 HydrophobicContact CD1-CD1 4.06Å; I253-L269 HydrophobicContact CG1-CD1 3.77Å |
| 254 | N | 71.1 | Confident | 76.1 | Confident | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.2 | -30.9 | -178.3 | -78.5 | -54.9 | 0 | 0 | 0 | 113.2 | S250 Q251 G259 | S250-N254 VanDerWaalsContact O-CB 3.24Å; S250-N254 WeakPolarHBondContact O-CB 3.2Å; S250-N254 VanDerWaalsContact O-CG 3.25Å; S250-N254 PolarHBondContact O-N 3.11Å; S250-N254 PolarHBondContact O-ND2 3.41Å; Q251-N254 PolarHBondContact O-N 3.14Å; N254-G259 VanDerWaalsContact OD1-CA 3.28Å; N254-G259 WeakPolarHBondContact OD1-CA 3.46Å |
| 255 | M | 72.3 | Confident | 76.1 | Confident | 165 Ų | 165 | 65.9 Ų | 65.9 | 81% | 0.813 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -91.8 | -33.4 | -179.2 | -68.5 | -151.3 | 156.8 | 0 | 0 | 114.3 | Q251 I253 | Q251-M255 WeakPolarHBondContact O-CB 3.49Å; Q251-M255 WeakPolarHBondContact O-CG 3.22Å; Q251-M255 PolarHBondContact O-N 3.39Å; I253-M255 VanDerWaalsContact C-N 3.32Å; I253-M255 PolarHBondContact O-N 3.09Å |
| 256 | N | 67.4 | Low | 76 | Confident | 121 Ų | 121 | 64.1 Ų | 64.1 | 65% | 0.647 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -98.7 | -32.3 | -176.5 | -57.1 | -1.4 | 0 | 0 | 0 | 112.5 | Q252 | Q252-N256 WeakPolarHBondContact O-CB 3.26Å; Q252-N256 PolarHBondContact O-N 3.46Å |
| 257 | L | 64.1 | Low | 76 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -115.9 | 5.6 | -169.4 | -57.2 | 171.1 | 0 | 0 | 0 | 113.1 | I253 G259 H260 D265 L269 | I253-L257 HydrophobicContact CG1-CD1 4.24Å; I253-L257 HydrophobicContact CG2-CB 4.4Å; I253-L257 CarbonylContact O-C 3.37Å; I253-L257 VanDerWaalsContact O-CA 3.32Å; I253-L257 WeakPolarHBondContact O-CA 3.4Å; I253-L257 WeakPolarHBondContact O-CB 3.49Å; I253-L257 PolarHBondContact O-N 2.85Å; L257-G259 PolarHBondContact O-N 2.73Å; L257-H260 WeakPolarHBondContact CB-O 3.33Å; L257-D265 HydrophobicContact CD1-CB 3.82Å; L257-D265 WeakPolarHBondContact CD2-OD1 3.1Å; L257-L269 HydrophobicContact CD1-CD1 4.1Å |
| 258 | G | 67.8 | Low | 75.8 | Confident | 62 Ų | 62 | 67.6 Ų | 67.6 | 64% | 0.639 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 12.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I253 | I253-G258 PolarHBondContact O-N 2.74Š|
| 259 | G | 69.9 | Low | 75.5 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -1.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | I253 N254 L257 | I253-G259 PolarHBondContact O-N 2.99Å; N254-G259 VanDerWaalsContact OD1-CA 3.28Å; N254-G259 WeakPolarHBondContact OD1-CA 3.46Å; L257-G259 PolarHBondContact O-N 2.73Å |
| 260 | H | 73.2 | Confident | 75.3 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 144.2 | 171.7 | -62.3 | -79.7 | 0 | 0 | 0 | 108.9 | Y224 L257 | Y224-H260 HydrophobicContact CD1-CB 3.75Å; Y224-H260 HydrophobicContact CE1-CB 4.43Å; Y224-H260 HydrophobicContact CG-CB 4.06Å; L257-H260 WeakPolarHBondContact CB-O 3.33Å |
| 261 | V | 79.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.5 | 177.2 | -171.8 | 0 | 0 | 0 | 0 | 107.9 | Y224 I225 I253 D265 F266 L269 | Y224-V261 CarbonylContact C-O 3.53Å; Y224-V261 VanDerWaalsContact CA-O 3.29Å; Y224-V261 WeakPolarHBondContact CA-O 3.49Å; I225-V261 PolarHBondContact N-O 2.92Å; I225-V261 WeakPolarHBondContact O-CG2 3.46Å; I225-V261 PolarHBondContact O-N 2.78Å; I253-V261 HydrophobicContact CB-CG2 4.25Å; I253-V261 HydrophobicContact CD1-CG2 3.56Å; I253-V261 HydrophobicContact CG1-CG2 3.74Å; I253-V261 HydrophobicContact CG2-CG2 3.47Å; I253-V261 VanDerWaalsContact CG2-CG2 3.47Å; V261-D265 HydrophobicContact CG1-CB 3.71Å; V261-F266 HydrophobicContact CG1-CB 3.92Å; V261-L269 HydrophobicContact CG1-CD1 3.98Å |
| 262 | D | 82.4 | Confident | 74.6 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | -82.5 | -177.1 | 171.4 | 80.2 | 27.2 | 0 | 0 | 0 | 112 | F214 Y224 D264 D265 F266 | F214-D262 WeakPolarHBondContact CE2-O 3.42Å; Y224-D262 HydrophobicContact CD1-CB 4.07Å; Y224-D262 HydrophobicContact CE1-CB 3.93Å; D262-D264 PolarHBondContact OD1-N 3.48Å; D262-D265 PolarHBondContact N-OD2 3.33Å; D262-D265 PolarHBondContact OD1-N 3.29Å; D262-F266 WeakPolarHBondContact O-CB 3.39Å; D262-F266 PolarHBondContact O-N 3.47Å | ||
| 263 | F | 81.9 | Confident | 73.9 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.3 | -37.3 | -178 | 178.3 | -106 | 0 | 0 | 0 | 113.3 | I207 R211 F214 F266 V267 | I207-F263 HydrophobicContact CG2-CE1 4.39Å; I207-F263 HydrophobicContact CG2-CZ 4.07Å; R211-F263 HydrophobicContact CB-CE2 3.68Å; R211-F263 HydrophobicContact CB-CZ 3.78Å; R211-F263 HydrophobicContact CG-CD2 4.49Å; R211-F263 HydrophobicContact CG-CE2 3.89Å; R211-F263 HydrophobicContact CG-CZ 3.99Å; F214-F263 HydrophobicContact CB-CD2 3.95Å; F214-F263 HydrophobicContact CB-CE2 4.33Å; F214-F263 HydrophobicContact CD1-CD2 4.4Å; F214-F263 HydrophobicContact CD2-CB 4.41Å; F214-F263 AromaticContact CD2-CD2 3.95Å; F214-F263 HydrophobicContact CD2-CD2 3.95Å; F214-F263 HydrophobicContact CE2-CB 4.25Å; F214-F263 AromaticContact CG-CD2 3.84Å; F214-F263 HydrophobicContact CG-CD2 3.84Å; F214-F263 HydrophobicContact CZ-CB 4.3Å; F263-F266 PolarHBondContact O-N 3.22Å; F263-V267 HydrophobicContact CD1-CG2 4.43Å; F263-V267 HydrophobicContact CD2-CG2 4.39Å; F263-V267 HydrophobicContact CE1-CG2 3.91Å; F263-V267 HydrophobicContact CE2-CG2 3.83Å; F263-V267 HydrophobicContact CZ-CG2 3.58Å; F263-V267 VanDerWaalsContact O-CG2 3.32Å; F263-V267 WeakPolarHBondContact O-CG2 3.12Å; F263-V267 PolarHBondContact O-N 2.8Å |
| 264 | D | 81.7 | Confident | 73.3 | Confident | 122 Ų | 122 | 59.4 Ų | 59.4 | 65% | 0.652 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -72.9 | -41.4 | -178.5 | -66.7 | -35 | 0 | 0 | 0 | 109.4 | D262 F266 V267 E268 | D262-D264 PolarHBondContact OD1-N 3.48Å; D264-F266 VanDerWaalsContact C-N 3.33Å; D264-F266 PolarHBondContact O-N 2.69Å; D264-V267 PolarHBondContact O-N 3.33Å; D264-E268 PolarHBondContact O-N 3.02Å |
| 265 | D | 80.4 | Confident | 72.8 | Confident | 33 Ų | 33 | 56 Ų | 56 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 170 | -61.9 | -36.2 | 0 | 0 | 0 | 112 | L257 V261 D262 V267 E268 L269 | L257-D265 HydrophobicContact CD1-CB 3.82Å; L257-D265 WeakPolarHBondContact CD2-OD1 3.1Å; V261-D265 HydrophobicContact CG1-CB 3.71Å; D262-D265 PolarHBondContact N-OD2 3.33Å; D262-D265 PolarHBondContact OD1-N 3.29Å; D265-V267 VanDerWaalsContact C-N 3.32Å; D265-V267 PolarHBondContact O-N 3.22Å; D265-E268 PolarHBondContact O-N 3.31Å; D265-L269 WeakPolarHBondContact O-CB 3.45Å; D265-L269 WeakPolarHBondContact O-CD1 3.4Å; D265-L269 WeakPolarHBondContact O-CG 3.48Å; D265-L269 PolarHBondContact O-N 3.07Å |
| 266 | F | 78 | Confident | 72 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 179.9 | 176.9 | -96.9 | 0 | 0 | 0 | 111.3 | L210 F214 I225 L230 C233 M237 V261 D262 F263 D264 M270 | L210-F266 HydrophobicContact CB-CE1 4.13Å; L210-F266 HydrophobicContact CD2-CE1 3.8Å; L210-F266 HydrophobicContact CD2-CZ 4.43Å; L210-F266 WeakPolarHBondContact O-CE1 3.31Å; F214-F266 HydrophobicContact CB-CD1 4.38Å; F214-F266 HydrophobicContact CB-CE1 4.32Å; F214-F266 HydrophobicContact CD2-CB 3.78Å; F214-F266 AromaticContact CD2-CD1 3.83Å; F214-F266 HydrophobicContact CD2-CD1 3.83Å; F214-F266 HydrophobicContact CD2-CD2 4.16Å; F214-F266 HydrophobicContact CD2-CE1 4.43Å; F214-F266 AromaticContact CD2-CG 3.67Å; F214-F266 HydrophobicContact CD2-CG 3.67Å; F214-F266 HydrophobicContact CE2-CB 3.9Å; F214-F266 HydrophobicContact CE2-CG 4.24Å; I225-F266 HydrophobicContact CD1-CD2 4.18Å; I225-F266 HydrophobicContact CD1-CE2 4.21Å; L230-F266 HydrophobicContact CD1-CD2 3.87Å; L230-F266 HydrophobicContact CD1-CE2 3.79Å; C233-F266 VanDerWaalsContact SG-CE2 3.54Å; C233-F266 WeakPolarHBondContact SG-CZ 3.38Å; M237-F266 HydrophobicContact CE-CE2 4.28Å; M237-F266 HydrophobicContact CE-CZ 3.71Å; M237-F266 HydrophobicContact SD-CZ 3.98Å; V261-F266 HydrophobicContact CG1-CB 3.92Å; D262-F266 WeakPolarHBondContact O-CB 3.39Å; D262-F266 PolarHBondContact O-N 3.47Å; F263-F266 PolarHBondContact O-N 3.22Å; D264-F266 VanDerWaalsContact C-N 3.33Å; D264-F266 PolarHBondContact O-N 2.69Å; F266-M270 HydrophobicContact CD1-CG 4.31Å; F266-M270 HydrophobicContact CD2-CG 3.79Å; F266-M270 HydrophobicContact CE1-CG 4.09Å; F266-M270 HydrophobicContact CE2-CG 3.55Å; F266-M270 HydrophobicContact CE2-SD 4.37Å; F266-M270 HydrophobicContact CG-CG 4.17Å; F266-M270 HydrophobicContact CZ-CG 3.72Å; F266-M270 WeakPolarHBondContact O-CB 3.46Å; F266-M270 VanDerWaalsContact O-CG 3.27Å; F266-M270 WeakPolarHBondContact O-CG 3.47Å; F266-M270 PolarHBondContact O-N 3.21Å |
| 267 | V | 78.6 | Confident | 71.1 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L202 L210 F263 D264 D265 G271 | L202-V267 HydrophobicContact CD1-CG1 3.61Å; L210-V267 HydrophobicContact CD1-CG2 4.26Å; F263-V267 HydrophobicContact CD1-CG2 4.43Å; F263-V267 HydrophobicContact CD2-CG2 4.39Å; F263-V267 HydrophobicContact CE1-CG2 3.91Å; F263-V267 HydrophobicContact CE2-CG2 3.83Å; F263-V267 HydrophobicContact CZ-CG2 3.58Å; F263-V267 VanDerWaalsContact O-CG2 3.32Å; F263-V267 WeakPolarHBondContact O-CG2 3.12Å; F263-V267 PolarHBondContact O-N 2.8Å; D264-V267 PolarHBondContact O-N 3.33Å; D265-V267 VanDerWaalsContact C-N 3.32Å; D265-V267 PolarHBondContact O-N 3.22Å; V267-G271 WeakPolarHBondContact O-CA 3.4Å; V267-G271 PolarHBondContact O-N 2.92Å |
| 268 | E | 77.8 | Confident | 70.1 | Confident | 155 Ų | 155 | 48.3 Ų | 48.3 | 72% | 0.724 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.3 | -39.1 | 176 | -169.1 | 176.4 | 168.9 | 0 | 0 | 112.6 | D264 D265 P272 | D264-E268 PolarHBondContact O-N 3.02Å; D265-E268 PolarHBondContact O-N 3.31Å; E268-P272 WeakPolarHBondContact O-CD 3.14Å |
| 269 | L | 75.3 | Confident | 69 | Low | 20 Ų | 20 | 47.6 Ų | 47.6 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.3 | -40.5 | 177.7 | -76.9 | 159 | 0 | 0 | 0 | 113 | L249 I253 L257 V261 D265 | L249-L269 HydrophobicContact CD2-CD2 3.85Å; I253-L269 HydrophobicContact CD1-CD1 4.06Å; I253-L269 HydrophobicContact CG1-CD1 3.77Å; L257-L269 HydrophobicContact CD1-CD1 4.1Å; V261-L269 HydrophobicContact CG1-CD1 3.98Å; D265-L269 WeakPolarHBondContact O-CB 3.45Å; D265-L269 WeakPolarHBondContact O-CD1 3.4Å; D265-L269 WeakPolarHBondContact O-CG 3.48Å; D265-L269 PolarHBondContact O-N 3.07Å |
| 270 | M | 73.5 | Confident | 67.7 | Low | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -90.9 | -31.1 | -173.5 | -67.5 | -57.2 | -38.1 | 0 | 0 | 113.9 | L210 L230 M234 M237 F266 K273 L274 | L210-M270 HydrophobicContact CD2-CB 3.86Å; L230-M270 HydrophobicContact CD1-SD 4.1Å; M234-M270 HydrophobicContact CE-CE 3.8Å; M234-M270 HydrophobicContact CE-SD 3.36Å; M234-M270 WeakPolarHBondContact CE-SD 3.41Å; M234-M270 HydrophobicContact CG-CE 3.91Å; M234-M270 HydrophobicContact CG-SD 3.72Å; M234-M270 HydrophobicContact SD-SD 4.39Å; M237-M270 HydrophobicContact CE-CE 3.45Å; M237-M270 VanDerWaalsContact CE-CE 3.45Å; M237-M270 HydrophobicContact CE-CG 4.11Å; M237-M270 HydrophobicContact CE-SD 3.96Å; F266-M270 HydrophobicContact CD1-CG 4.31Å; F266-M270 HydrophobicContact CD2-CG 3.79Å; F266-M270 HydrophobicContact CE1-CG 4.09Å; F266-M270 HydrophobicContact CE2-CG 3.55Å; F266-M270 HydrophobicContact CE2-SD 4.37Å; F266-M270 HydrophobicContact CG-CG 4.17Å; F266-M270 HydrophobicContact CZ-CG 3.72Å; F266-M270 WeakPolarHBondContact O-CB 3.46Å; F266-M270 VanDerWaalsContact O-CG 3.27Å; F266-M270 WeakPolarHBondContact O-CG 3.47Å; F266-M270 PolarHBondContact O-N 3.21Å; M270-K273 HydrophobicContact CE-CB 4.28Å; M270-K273 PolarHBondContact O-N 3.29Å; M270-L274 WeakPolarHBondContact O-CB 3.29Å; M270-L274 PolarHBondContact O-N 2.93Å |
| 271 | G | 70.6 | Confident | 66 | Low | 4 Ų | 4 | 56.8 Ų | 56.8 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.5 | -56 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V267 K273 L274 L275 | V267-G271 WeakPolarHBondContact O-CA 3.4Å; V267-G271 PolarHBondContact O-N 2.92Å; G271-K273 PolarHBondContact O-N 3.36Å; G271-L274 PolarHBondContact O-N 3.08Å; G271-L275 VanDerWaalsContact O-CG 3.31Å; G271-L275 WeakPolarHBondContact O-CG 3.41Å; G271-L275 PolarHBondContact O-N 2.92Å |
| 272 | P | 68.8 | Low | 64.4 | Low | 81 Ų | 81 | 58.9 Ų | 58.9 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.1 | -30.9 | 177.1 | -24 | 34.9 | 0 | 0 | 0 | 113.4 | E268 A276 | E268-P272 WeakPolarHBondContact O-CD 3.14Å; P272-A276 WeakPolarHBondContact O-CB 3.43Å; P272-A276 PolarHBondContact O-N 3.34Å |
| 273 | K | 63.4 | Low | 62.9 | Low | 51 Ų | 51 | 56.8 Ų | 56.8 | 22% | 0.222 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -76.7 | -37.8 | 179.7 | -71.4 | -68.3 | -167.6 | 167.5 | 0 | 112.6 | Y239 E245 M270 G271 L275 A276 E277 | Y239-K273 HydrophobicContact CE1-CB 4.49Å; Y239-K273 HydrophobicContact CE1-CD 4.22Å; Y239-K273 HydrophobicContact CE1-CG 4.43Å; Y239-K273 HydrophobicContact CE2-CD 4.26Å; Y239-K273 WeakPolarHBondContact OH-CE 3.44Å; Y239-K273 PolarHBondContact OH-NZ 2.88Å; E245-K273 IonicContact OE1-NZ 3.79Å; E245-K273 PolarHBondContact OE1-NZ 3.24Å; M270-K273 HydrophobicContact CE-CB 4.28Å; M270-K273 PolarHBondContact O-N 3.29Å; G271-K273 PolarHBondContact O-N 3.36Å; K273-L275 PolarHBondContact O-N 2.93Å; K273-A276 PolarHBondContact O-N 3.47Å; K273-E277 PolarHBondContact O-N 3.47Å |
| 274 | L | 61.6 | Low | 61.7 | Low | 39 Ų | 39 | 57.8 Ų | 57.8 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.1 | -23.7 | 172.8 | -159.9 | 156.5 | 0 | 0 | 0 | 111.5 | L210 M270 G271 T278 | L210-L274 HydrophobicContact CD2-CD1 3.83Å; L210-L274 HydrophobicContact CG-CD1 4.25Å; M270-L274 WeakPolarHBondContact O-CB 3.29Å; M270-L274 PolarHBondContact O-N 2.93Å; G271-L274 PolarHBondContact O-N 3.08Å; L274-T278 VanDerWaalsContact C-OG1 3.3Å; L274-T278 PolarHBondContact O-OG1 3.33Å |
| 275 | L | 60.6 | Low | 60.6 | Low | 21 Ų | 21 | 55.4 Ų | 55.4 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -87.5 | -33.5 | 171.8 | -66.2 | 169 | 0 | 0 | 0 | 112.8 | Q198 R200 L202 G271 K273 | Q198-L275 HydrophobicContact CB-CB 4.29Å; Q198-L275 WeakPolarHBondContact CG-O 3Å; Q198-L275 PolarHBondContact NE2-O 3.09Å; Q198-L275 WeakPolarHBondContact O-CB 3.32Å; Q198-L275 WeakPolarHBondContact O-CD1 3.19Å; R200-L275 HydrophobicContact CG-CD2 4.25Å; L202-L275 HydrophobicContact CD2-CD1 4.44Å; G271-L275 VanDerWaalsContact O-CG 3.31Å; G271-L275 WeakPolarHBondContact O-CG 3.41Å; G271-L275 PolarHBondContact O-N 2.92Å; K273-L275 PolarHBondContact O-N 2.93Å |
| 276 | A | 55.7 | Low | 59.9 | Low | 56 Ų | 56 | 57.1 Ų | 57.1 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -83 | -52.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q198 P272 K273 T278 | Q198-A276 PolarHBondContact NE2-O 3.17Å; P272-A276 WeakPolarHBondContact O-CB 3.43Å; P272-A276 PolarHBondContact O-N 3.34Å; K273-A276 PolarHBondContact O-N 3.47Å; A276-T278 VanDerWaalsContact C-N 3.29Å; A276-T278 PolarHBondContact O-N 2.99Å |
| 277 | E | 47.3 | Very low | 59.6 | Low | 99 Ų | 99 | 58.3 Ų | 58.3 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12.6 | -171.1 | -152.4 | -178.5 | -111.7 | 0 | 0 | 113 | Y239 K273 | Y239-E277 HydrophobicContact CD2-CB 3.8Å; Y239-E277 VanDerWaalsContact CD2-CD 3.46Å; Y239-E277 HydrophobicContact CD2-CG 4.22Å; Y239-E277 WeakPolarHBondContact CD2-OE2 3.28Å; Y239-E277 HydrophobicContact CE2-CB 3.86Å; Y239-E277 HydrophobicContact CE2-CG 4.12Å; Y239-E277 VanDerWaalsContact CE2-OE1 3.29Å; Y239-E277 WeakPolarHBondContact CE2-OE1 3.33Å; Y239-E277 WeakPolarHBondContact CE2-OE2 3.08Å; K273-E277 PolarHBondContact O-N 3.47Å |
| 278 | T | 44.1 | Very low | 59.4 | Low | 27 Ų | 27 | 64.2 Ų | 64.2 | 17% | 0.166 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -2.4 | -162.2 | 4.7 | 0 | 0 | 0 | 0 | 113.9 | L274 A276 D280 M281 I282 G283 | L274-T278 VanDerWaalsContact C-OG1 3.3Å; L274-T278 PolarHBondContact O-OG1 3.33Å; A276-T278 VanDerWaalsContact C-N 3.29Å; A276-T278 PolarHBondContact O-N 2.99Å; T278-D280 PolarHBondContact O-N 3.1Å; T278-D280 VanDerWaalsContact O-N 3.13Å; T278-M281 PolarHBondContact O-N 2.94Å; T278-M281 VanDerWaalsContact O-N 3.17Å; T278-I282 HydrophobicContact CG2-CB 3.59Å; T278-I282 HydrophobicContact CG2-CD1 3.65Å; T278-I282 HydrophobicContact CG2-CG1 3.67Å; T278-I282 PolarHBondContact O-N 2.84Å; T278-G283 PolarHBondContact O-N 3.34Å |
| 279 | A | 45 | Very low | 59.2 | Low | 48 Ų | 48 | 60 Ų | 60 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 280 | D | 42.7 | Very low | 59.2 | Low | 148 Ų | 148 | 59.6 Ų | 59.6 | 79% | 0.791 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -19.5 | -174.6 | -70.1 | -13.2 | 0 | 0 | 0 | 114.7 | T278 | T278-D280 PolarHBondContact O-N 3.1Å; T278-D280 VanDerWaalsContact O-N 3.13Å |
| 281 | M | 38.1 | Very low | 59.5 | Low | 154 Ų | 154 | 60.1 Ų | 60.1 | 76% | 0.759 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | -32.2 | -171.6 | -123.7 | -167.1 | -179.2 | 0 | 0 | 117 | T278 | T278-M281 PolarHBondContact O-N 2.94Å; T278-M281 VanDerWaalsContact O-N 3.17Å |
| 282 | I | 45 | Very low | 60.1 | Low | 43 Ų | 43 | 66.8 Ų | 66.8 | 22% | 0.221 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -30.7 | 170.9 | -63.7 | -173.8 | 0 | 0 | 0 | 110.4 | L22 T278 V284 K285 E286 | L22-I282 HydrophobicContact CD2-CD1 4.44Å; T278-I282 HydrophobicContact CG2-CB 3.59Å; T278-I282 HydrophobicContact CG2-CD1 3.65Å; T278-I282 HydrophobicContact CG2-CG1 3.67Å; T278-I282 PolarHBondContact O-N 2.84Å; I282-V284 PolarHBondContact O-N 3.2Å; I282-K285 WeakPolarHBondContact O-CA 3.43Å; I282-K285 WeakPolarHBondContact O-CB 3.31Å; I282-K285 PolarHBondContact O-N 2.75Å; I282-E286 HydrophobicContact CG2-CG 4.18Å; I282-E286 PolarHBondContact O-N 2.95Å |
| 283 | G | 51.9 | Low | 60.7 | Low | 11 Ų | 11 | 68 Ų | 68 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -51.3 | -39.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T278 K285 E286 L287 | T278-G283 PolarHBondContact O-N 3.34Å; G283-K285 VanDerWaalsContact C-N 3.3Å; G283-K285 PolarHBondContact O-N 3.06Å; G283-E286 PolarHBondContact O-N 2.97Å; G283-L287 WeakPolarHBondContact O-CB 3.4Å; G283-L287 WeakPolarHBondContact O-CD1 3.41Å; G283-L287 WeakPolarHBondContact O-CG 3.47Å; G283-L287 PolarHBondContact O-N 2.97Å |
| 284 | V | 55.2 | Low | 61.5 | Low | 70 Ų | 70 | 65.7 Ų | 65.7 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 174.3 | -178 | 0 | 0 | 0 | 0 | 112.7 | I282 R288 F341 | I282-V284 PolarHBondContact O-N 3.2Å; V284-R288 WeakPolarHBondContact O-CB 3.04Å; V284-R288 PolarHBondContact O-N 3.17Å; V284-F341 HydrophobicContact CG1-CE1 4.37Å; V284-F341 HydrophobicContact CG1-CZ 4.2Å |
| 285 | K | 58.3 | Low | 62.7 | Low | 71 Ų | 71 | 64.3 Ų | 64.3 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74 | -46.1 | 176.1 | -173.7 | -164.4 | 158.3 | -161.6 | 0 | 110.5 | V21 I282 G283 R288 D289 | V21-K285 WeakPolarHBondContact O-CE 3.32Å; V21-K285 PolarHBondContact O-NZ 3Å; I282-K285 WeakPolarHBondContact O-CA 3.43Å; I282-K285 WeakPolarHBondContact O-CB 3.31Å; I282-K285 PolarHBondContact O-N 2.75Å; G283-K285 VanDerWaalsContact C-N 3.3Å; G283-K285 PolarHBondContact O-N 3.06Å; K285-R288 CarbonylContact O-C 3.33Å; K285-R288 WeakPolarHBondContact O-CB 3.39Å; K285-R288 PolarHBondContact O-N 2.96Å; K285-R288 VanDerWaalsContact O-N 3.15Å; K285-D289 WeakPolarHBondContact CE-OD2 3.34Å; K285-D289 PolarHBondContact O-N 2.84Å |
| 286 | E | 66.7 | Low | 63.7 | Low | 70 Ų | 70 | 67.7 Ų | 67.7 | 33% | 0.327 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 179.1 | -66.9 | -174 | 162.5 | 0 | 0 | 112.5 | I282 G283 R288 D289 A290 | I282-E286 HydrophobicContact CG2-CG 4.18Å; I282-E286 PolarHBondContact O-N 2.95Å; G283-E286 PolarHBondContact O-N 2.97Å; E286-R288 PolarHBondContact O-N 2.9Å; E286-D289 PolarHBondContact O-N 3.1Å; E286-A290 VanDerWaalsContact O-CB 3.23Å; E286-A290 WeakPolarHBondContact O-CB 3.45Å; E286-A290 PolarHBondContact O-N 3.26Å |
| 287 | L | 70.6 | Confident | 65.2 | Low | 24 Ų | 24 | 69.4 Ų | 69.4 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -33.2 | 171.5 | -71.6 | 165.7 | 0 | 0 | 0 | 111 | G283 F291 F341 F344 V345 M348 | G283-L287 WeakPolarHBondContact O-CB 3.4Å; G283-L287 WeakPolarHBondContact O-CD1 3.41Å; G283-L287 WeakPolarHBondContact O-CG 3.47Å; G283-L287 PolarHBondContact O-N 2.97Å; L287-F291 WeakPolarHBondContact O-CB 3.44Å; L287-F291 PolarHBondContact O-N 3.26Å; L287-F341 HydrophobicContact CB-CE2 4.31Å; L287-F341 HydrophobicContact CB-CZ 4.49Å; L287-F344 HydrophobicContact CB-CE1 4.46Å; L287-F344 HydrophobicContact CD2-CD1 4.41Å; L287-F344 HydrophobicContact CD2-CE1 3.95Å; L287-F344 WeakPolarHBondContact O-CE1 3.34Å; L287-V345 HydrophobicContact CB-CG2 4.39Å; L287-V345 HydrophobicContact CD1-CB 4.49Å; L287-V345 HydrophobicContact CD1-CG1 4.25Å; L287-V345 HydrophobicContact CD1-CG2 4.01Å; L287-M348 HydrophobicContact CD2-CB 3.67Å; L287-M348 HydrophobicContact CD2-CG 3.64Å |
| 288 | R | 74.8 | Confident | 67 | Low | 154 Ų | 154 | 67.5 Ų | 67.5 | 58% | 0.581 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -80.7 | -31.1 | 178.7 | -172.3 | 176.3 | -179.4 | -145.9 | -0.5 | 113.7 | V284 K285 E286 R292 F341 | V284-R288 WeakPolarHBondContact O-CB 3.04Å; V284-R288 PolarHBondContact O-N 3.17Å; K285-R288 CarbonylContact O-C 3.33Å; K285-R288 WeakPolarHBondContact O-CB 3.39Å; K285-R288 PolarHBondContact O-N 2.96Å; K285-R288 VanDerWaalsContact O-N 3.15Å; E286-R288 PolarHBondContact O-N 2.9Å; R288-R292 PolarHBondContact O-N 3.11Å; R288-R292 VanDerWaalsContact O-N 3.15Å; R288-F341 HydrophobicContact CB-CE2 3.74Å; R288-F341 HydrophobicContact CB-CZ 3.98Å; R288-F341 HydrophobicContact CG-CE2 4.25Å |
| 289 | D | 74.6 | Confident | 69.1 | Low | 67 Ų | 67 | 69.8 Ų | 69.8 | 36% | 0.358 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -76.5 | -35.2 | 171.7 | -71.9 | -29.4 | 0 | 0 | 0 | 110.6 | K285 E286 R292 E293 | K285-D289 WeakPolarHBondContact CE-OD2 3.34Å; K285-D289 PolarHBondContact O-N 2.84Å; E286-D289 PolarHBondContact O-N 3.1Å; D289-R292 PolarHBondContact O-N 3.48Å; D289-R292 IonicContact OD1-CZ 3.63Å; D289-R292 IonicContact OD1-NH1 3.54Å; D289-R292 PolarHBondContact OD1-NH1 3.43Å; D289-R292 IonicContact OD1-NH2 3.44Å; D289-E293 PolarHBondContact O-N 2.68Å; D289-E293 VanDerWaalsContact O-N 3.09Å |
| 290 | A | 74.8 | Confident | 71 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | F196 E286 R292 E293 F294 F344 | F196-A290 HydrophobicContact CD1-CB 4.14Å; F196-A290 HydrophobicContact CE1-CB 4.09Å; E286-A290 VanDerWaalsContact O-CB 3.23Å; E286-A290 WeakPolarHBondContact O-CB 3.45Å; E286-A290 PolarHBondContact O-N 3.26Å; A290-R292 VanDerWaalsContact C-N 3.26Å; A290-R292 PolarHBondContact O-N 3.03Å; A290-E293 WeakPolarHBondContact O-CA 3.19Å; A290-E293 WeakPolarHBondContact O-CB 3.47Å; A290-E293 PolarHBondContact O-N 2.68Å; A290-F294 WeakPolarHBondContact O-CD2 3.41Å; A290-F294 PolarHBondContact O-N 2.88Å; A290-F294 VanDerWaalsContact O-N 3.11Å; A290-F344 HydrophobicContact CB-CE1 4.47Å; A290-F344 HydrophobicContact CB-CZ 4.34Å |
| 291 | F | 80.4 | Confident | 73.2 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 6% | 0.057 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.4 | -42 | 173.3 | -172.6 | -86.1 | 0 | 0 | 0 | 110.9 | L287 E293 F294 D295 G300 I302 F341 F344 | L287-F291 WeakPolarHBondContact O-CB 3.44Å; L287-F291 PolarHBondContact O-N 3.26Å; F291-E293 VanDerWaalsContact C-N 3.29Å; F291-E293 PolarHBondContact O-N 3.17Å; F291-F294 PolarHBondContact O-N 3.09Å; F291-D295 HydrophobicContact CD1-CB 4.23Å; F291-D295 HydrophobicContact CE1-CB 4.05Å; F291-D295 WeakPolarHBondContact O-CB 3.49Å; F291-D295 PolarHBondContact O-N 3.39Å; F291-G300 WeakPolarHBondContact CE1-O 3.38Å; F291-G300 VanDerWaalsContact CZ-O 3.23Å; F291-G300 WeakPolarHBondContact CZ-O 3.46Å; F291-I302 HydrophobicContact CD2-CD1 3.56Å; F291-I302 HydrophobicContact CD2-CG1 4.11Å; F291-I302 HydrophobicContact CE1-CG1 4.39Å; F291-I302 HydrophobicContact CE2-CD1 3.51Å; F291-I302 HydrophobicContact CE2-CG1 3.67Å; F291-I302 HydrophobicContact CG-CD1 4.29Å; F291-I302 HydrophobicContact CZ-CD1 4.19Å; F291-I302 HydrophobicContact CZ-CG1 3.83Å; F291-F341 HydrophobicContact CB-CD2 4.06Å; F291-F341 HydrophobicContact CB-CE2 4.35Å; F291-F341 HydrophobicContact CD2-CB 4.43Å; F291-F341 AromaticContact CD2-CD2 3.94Å; F291-F341 HydrophobicContact CD2-CD2 3.94Å; F291-F341 HydrophobicContact CE2-CB 4.24Å; F291-F341 AromaticContact CG-CD2 3.92Å; F291-F341 HydrophobicContact CG-CD2 3.92Å; F291-F341 HydrophobicContact CZ-CB 4.44Å; F291-F344 HydrophobicContact CB-CD1 4.3Å; F291-F344 HydrophobicContact CB-CE1 4.31Å; F291-F344 HydrophobicContact CD2-CB 3.71Å; F291-F344 AromaticContact CD2-CD1 3.94Å; F291-F344 HydrophobicContact CD2-CD1 3.94Å; F291-F344 HydrophobicContact CD2-CD2 4.2Å; F291-F344 AromaticContact CD2-CG 3.7Å; F291-F344 HydrophobicContact CD2-CG 3.7Å; F291-F344 HydrophobicContact CE2-CB 3.95Å; F291-F344 HydrophobicContact CE2-CG 4.36Å |
| 292 | R | 82.6 | Confident | 75.6 | Confident | 144 Ų | 144 | 58.4 Ų | 58.4 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.8 | -20.4 | 173.3 | -164.9 | -172 | -62.2 | 118.2 | 12.3 | 114 | R288 D289 A290 D295 | R288-R292 PolarHBondContact O-N 3.11Å; R288-R292 VanDerWaalsContact O-N 3.15Å; D289-R292 PolarHBondContact O-N 3.48Å; D289-R292 IonicContact OD1-CZ 3.63Å; D289-R292 IonicContact OD1-NH1 3.54Å; D289-R292 PolarHBondContact OD1-NH1 3.43Å; D289-R292 IonicContact OD1-NH2 3.44Å; A290-R292 VanDerWaalsContact C-N 3.26Å; A290-R292 PolarHBondContact O-N 3.03Å; R292-D295 VanDerWaalsContact O-O 3.05Å |
| 293 | E | 80.6 | Confident | 77.7 | Confident | 107 Ų | 107 | 57.4 Ų | 57.4 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -79.2 | -24.3 | 172.9 | -167.4 | 170.8 | -179.2 | 0 | 0 | 111.8 | R203 D289 A290 F291 | R203-E293 IonicContact NH1-OE2 3.37Å; D289-E293 PolarHBondContact O-N 2.68Å; D289-E293 VanDerWaalsContact O-N 3.09Å; A290-E293 WeakPolarHBondContact O-CA 3.19Å; A290-E293 WeakPolarHBondContact O-CB 3.47Å; A290-E293 PolarHBondContact O-N 2.68Å; F291-E293 VanDerWaalsContact C-N 3.29Å; F291-E293 PolarHBondContact O-N 3.17Å |
| 294 | F | 80.5 | Confident | 79.4 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -86 | -55.3 | 173.5 | -76.2 | -129.4 | 0 | 0 | 0 | 111 | F196 A290 F291 T296 I302 E306 L307 A310 M311 L314 F344 | F196-F294 AromaticContact CE2-CE2 3.98Å; F196-F294 HydrophobicContact CE2-CE2 3.98Å; F196-F294 AromaticContact CE2-CZ 3.96Å; F196-F294 HydrophobicContact CE2-CZ 3.96Å; F196-F294 AromaticContact CZ-CE2 3.71Å; F196-F294 HydrophobicContact CZ-CE2 3.71Å; F196-F294 HydrophobicContact CZ-CZ 4.17Å; A290-F294 WeakPolarHBondContact O-CD2 3.41Å; A290-F294 PolarHBondContact O-N 2.88Å; A290-F294 VanDerWaalsContact O-N 3.11Å; F291-F294 PolarHBondContact O-N 3.09Å; F294-T296 PolarHBondContact O-N 3.03Å; F294-T296 PolarHBondContact O-OG1 3.45Å; F294-I302 HydrophobicContact CB-CD1 3.61Å; F294-I302 HydrophobicContact CB-CG1 3.96Å; F294-I302 HydrophobicContact CB-CG2 4.3Å; F294-I302 HydrophobicContact CD1-CD1 4.16Å; F294-I302 HydrophobicContact CG-CD1 4.2Å; F294-E306 WeakPolarHBondContact O-CB 3.09Å; F294-L307 HydrophobicContact CD1-CD1 4.25Å; F294-L307 HydrophobicContact CE1-CD1 4.22Å; F294-A310 HydrophobicContact CB-CB 4.26Å; F294-A310 HydrophobicContact CD1-CB 3.43Å; F294-A310 VanDerWaalsContact CD1-CB 3.43Å; F294-A310 HydrophobicContact CD2-CB 4.08Å; F294-A310 HydrophobicContact CE1-CB 3.74Å; F294-A310 HydrophobicContact CE2-CB 4.35Å; F294-A310 HydrophobicContact CG-CB 3.63Å; F294-A310 HydrophobicContact CZ-CB 4.2Å; F294-M311 HydrophobicContact CE1-CE 3.53Å; F294-M311 HydrophobicContact CZ-CE 4Å; F294-L314 HydrophobicContact CE1-CD1 4.33Å; F294-L314 HydrophobicContact CE2-CD1 3.91Å; F294-L314 HydrophobicContact CZ-CD1 3.5Å; F294-L314 VanDerWaalsContact CZ-CD1 3.5Å; F294-F344 HydrophobicContact CD1-CE2 4.13Å; F294-F344 HydrophobicContact CE1-CE2 4.07Å; F294-F344 HydrophobicContact CE2-CE2 4.44Å; F294-F344 HydrophobicContact CE2-CZ 4.47Å; F294-F344 HydrophobicContact CG-CE2 4.36Å; F294-F344 HydrophobicContact CZ-CE2 4.22Å |
| 295 | D | 86.3 | Confident | 80.9 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | trans | -65.6 | 90.4 | 172 | 175.3 | 14.6 | 0 | 0 | 0 | 109.8 | F291 R292 N297 G298 D299 G300 I302 | F291-D295 HydrophobicContact CD1-CB 4.23Å; F291-D295 HydrophobicContact CE1-CB 4.05Å; F291-D295 WeakPolarHBondContact O-CB 3.49Å; F291-D295 PolarHBondContact O-N 3.39Å; R292-D295 VanDerWaalsContact O-O 3.05Å; D295-N297 VanDerWaalsContact C-N 3.35Å; D295-N297 PolarHBondContact OD1-N 3.1Å; D295-N297 PolarHBondContact OD1-ND2 2.88Å; D295-G298 WeakPolarHBondContact OD1-CA 3.34Å; D295-G298 PolarHBondContact OD1-N 3.19Å; D295-G298 VanDerWaalsContact OD2-CA 3.28Å; D295-G298 WeakPolarHBondContact OD2-CA 3.15Å; D295-D299 PolarHBondContact OD1-N 3.25Å; D295-D299 PolarHBondContact OD2-N 3.31Å; D295-G300 WeakPolarHBondContact OD2-CA 3.45Å; D295-G300 PolarHBondContact OD2-N 3.06Å; D295-I302 HydrophobicContact CB-CG1 4.33Å | ||
| 296 | T | 83 | Confident | 82.3 | Confident | 92 Ų | 92 | 58 Ų | 58 | 56% | 0.564 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -81.3 | -23.3 | -175.7 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | F294 E306 | F294-T296 PolarHBondContact O-N 3.03Å; F294-T296 PolarHBondContact O-OG1 3.45Å; T296-E306 PolarHBondContact N-OE1 3.17Å |
| 297 | N | 86.4 | Confident | 83.1 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -89.3 | -27.9 | -177.2 | 89.4 | 78.6 | 0 | 0 | 0 | 113 | D295 D299 E306 | D295-N297 VanDerWaalsContact C-N 3.35Å; D295-N297 PolarHBondContact OD1-N 3.1Å; D295-N297 PolarHBondContact OD1-ND2 2.88Å; N297-D299 VanDerWaalsContact ND2-CG 3.26Å; N297-D299 PolarHBondContact ND2-OD1 3.35Å; N297-D299 PolarHBondContact ND2-OD2 2.57Å; N297-D299 WeakPolarHBondContact OD1-CB 3.36Å; N297-D299 PolarHBondContact OD1-N 2.87Å; N297-D299 PolarHBondContact OD1-OD1 3.16Å; N297-D299 PolarHBondContact OD1-OD2 3.39Å; N297-E306 WeakPolarHBondContact CB-OE1 3.38Å; N297-E306 PolarHBondContact N-OE1 2.74Å; N297-E306 PolarHBondContact ND2-OE1 3.39Å; N297-E306 PolarHBondContact ND2-OE2 2.84Å |
| 298 | G | 85.7 | Confident | 83.8 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 62% | 0.619 | 31% | 0.314 | S | S | * | . | trans | 86.3 | 19.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D295 G300 | D295-G298 WeakPolarHBondContact OD1-CA 3.34Å; D295-G298 PolarHBondContact OD1-N 3.19Å; D295-G298 VanDerWaalsContact OD2-CA 3.28Å; D295-G298 WeakPolarHBondContact OD2-CA 3.15Å; G298-G300 VanDerWaalsContact C-N 3.3Å | ||
| 299 | D | 87.8 | Confident | 84.2 | Confident | 75 Ų | 75 | 54.5 Ų | 54.5 | 40% | 0.401 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -77.3 | -14.9 | 178.4 | 64.1 | -2 | 0 | 0 | 0 | 113.3 | D295 N297 E301 R338 | D295-D299 PolarHBondContact OD1-N 3.25Å; D295-D299 PolarHBondContact OD2-N 3.31Å; N297-D299 VanDerWaalsContact ND2-CG 3.26Å; N297-D299 PolarHBondContact ND2-OD1 3.35Å; N297-D299 PolarHBondContact ND2-OD2 2.57Å; N297-D299 WeakPolarHBondContact OD1-CB 3.36Å; N297-D299 PolarHBondContact OD1-N 2.87Å; N297-D299 PolarHBondContact OD1-OD1 3.16Å; N297-D299 PolarHBondContact OD1-OD2 3.39Å; D299-E301 PolarHBondContact OD1-N 2.82Å; D299-E301 VanDerWaalsContact OD1-N 3.14Å; D299-R338 IonicContact OD2-CZ 3.94Å; D299-R338 IonicContact OD2-NH1 3.54Å; D299-R338 PolarHBondContact OD2-NH1 2.95Å |
| 300 | G | 85.2 | Confident | 84.4 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 37% | 0.371 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 91.8 | 9.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F291 D295 G298 | F291-G300 WeakPolarHBondContact CE1-O 3.38Å; F291-G300 VanDerWaalsContact CZ-O 3.23Å; F291-G300 WeakPolarHBondContact CZ-O 3.46Å; D295-G300 WeakPolarHBondContact OD2-CA 3.45Å; D295-G300 PolarHBondContact OD2-N 3.06Å; G298-G300 VanDerWaalsContact C-N 3.3Å |
| 301 | E | 89.4 | Confident | 84.4 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 34% | 0.341 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -136.8 | 120.3 | -178.4 | -62.6 | 171.7 | 170.4 | 0 | 0 | 110 | D299 S303 R338 | D299-E301 PolarHBondContact OD1-N 2.82Å; D299-E301 VanDerWaalsContact OD1-N 3.14Å; E301-S303 PolarHBondContact O-N 2.86Å; E301-S303 VanDerWaalsContact O-N 3.17Å; E301-R338 HydrophobicContact CB-CB 4.29Å; E301-R338 WeakPolarHBondContact OE2-CD 3.2Å; E301-R338 IonicContact OE2-CZ 2.81Å; E301-R338 IonicContact OE2-NE 2.83Å; E301-R338 PolarHBondContact OE2-NE 2.93Å; E301-R338 IonicContact OE2-NH1 3.93Å; E301-R338 PolarHBondContact OE2-NH1 3.13Å |
| 302 | I | 87.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 113 | -179.6 | -59 | 165.3 | 0 | 0 | 0 | 109.2 | F291 F294 D295 E306 L307 V339 F344 | F291-I302 HydrophobicContact CD2-CD1 3.56Å; F291-I302 HydrophobicContact CD2-CG1 4.11Å; F291-I302 HydrophobicContact CE1-CG1 4.39Å; F291-I302 HydrophobicContact CE2-CD1 3.51Å; F291-I302 HydrophobicContact CE2-CG1 3.67Å; F291-I302 HydrophobicContact CG-CD1 4.29Å; F291-I302 HydrophobicContact CZ-CD1 4.19Å; F291-I302 HydrophobicContact CZ-CG1 3.83Å; F294-I302 HydrophobicContact CB-CD1 3.61Å; F294-I302 HydrophobicContact CB-CG1 3.96Å; F294-I302 HydrophobicContact CB-CG2 4.3Å; F294-I302 HydrophobicContact CD1-CD1 4.16Å; F294-I302 HydrophobicContact CG-CD1 4.2Å; D295-I302 HydrophobicContact CB-CG1 4.33Å; I302-E306 HydrophobicContact CG2-CB 4.13Å; I302-L307 HydrophobicContact CG2-CB 3.91Å; I302-V339 HydrophobicContact CB-CB 4.32Å; I302-V339 PolarHBondContact N-O 2.79Å; I302-V339 PolarHBondContact O-N 3.24Å; I302-V339 VanDerWaalsContact O-N 3.09Å; I302-F344 HydrophobicContact CD1-CD2 3.62Å; I302-F344 HydrophobicContact CD1-CE2 4.03Å; I302-F344 HydrophobicContact CD1-CG 4.33Å |
| 303 | S | 89 | Confident | 83.8 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | trans | -75.4 | 159.9 | 175.9 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | E301 S305 E306 L307 | E301-S303 PolarHBondContact O-N 2.86Å; E301-S303 VanDerWaalsContact O-N 3.17Å; S303-S305 PolarHBondContact O-N 3.27Å; S303-E306 VanDerWaalsContact CB-OE2 3.24Å; S303-E306 WeakPolarHBondContact CB-OE2 3.29Å; S303-E306 PolarHBondContact N-OE2 3.33Å; S303-E306 PolarHBondContact O-N 2.82Å; S303-E306 VanDerWaalsContact O-N 3.09Å; S303-E306 PolarHBondContact OG-N 2.95Å; S303-E306 PolarHBondContact OG-OE2 3.2Å; S303-L307 WeakPolarHBondContact O-CB 3.14Å; S303-L307 PolarHBondContact O-N 3.04Å | ||
| 304 | T | 87.3 | Confident | 83.2 | Confident | 62 Ų | 62 | 53 Ų | 53 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -44.1 | -38.6 | 169.1 | 47.8 | 0 | 0 | 0 | 0 | 114.1 | R308 I328 | T304-R308 VanDerWaalsContact O-CB 3.32Å; T304-R308 WeakPolarHBondContact O-CB 3.27Å; T304-R308 PolarHBondContact O-N 3.46Å; T304-I328 HydrophobicContact CG2-CD1 3.52Å |
| 305 | S | 86.8 | Confident | 82.5 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 59% | 0.587 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -77.8 | -39 | -175.8 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | S303 E309 | S303-S305 PolarHBondContact O-N 3.27Å; S305-E309 PolarHBondContact O-N 2.95Å |
| 306 | E | 88.4 | Confident | 81.6 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.5 | -45.1 | 175.9 | -78.4 | 158.7 | 134.4 | 0 | 0 | 111.7 | F294 T296 N297 I302 S303 R308 E309 A310 | F294-E306 WeakPolarHBondContact O-CB 3.09Å; T296-E306 PolarHBondContact N-OE1 3.17Å; N297-E306 WeakPolarHBondContact CB-OE1 3.38Å; N297-E306 PolarHBondContact N-OE1 2.74Å; N297-E306 PolarHBondContact ND2-OE1 3.39Å; N297-E306 PolarHBondContact ND2-OE2 2.84Å; I302-E306 HydrophobicContact CG2-CB 4.13Å; S303-E306 VanDerWaalsContact CB-OE2 3.24Å; S303-E306 WeakPolarHBondContact CB-OE2 3.29Å; S303-E306 PolarHBondContact N-OE2 3.33Å; S303-E306 PolarHBondContact O-N 2.82Å; S303-E306 VanDerWaalsContact O-N 3.09Å; S303-E306 PolarHBondContact OG-N 2.95Å; S303-E306 PolarHBondContact OG-OE2 3.2Å; E306-R308 VanDerWaalsContact C-N 3.28Å; E306-R308 PolarHBondContact O-N 3.13Å; E306-E309 PolarHBondContact O-N 2.88Å; E306-A310 WeakPolarHBondContact O-CB 3.06Å; E306-A310 PolarHBondContact O-N 2.86Å |
| 307 | L | 84.1 | Confident | 80.9 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.9 | -44.8 | 173.3 | -177.1 | 61 | 0 | 0 | 0 | 110.9 | F294 I302 S303 E309 A310 M311 I324 I327 I328 | F294-L307 HydrophobicContact CD1-CD1 4.25Å; F294-L307 HydrophobicContact CE1-CD1 4.22Å; I302-L307 HydrophobicContact CG2-CB 3.91Å; S303-L307 WeakPolarHBondContact O-CB 3.14Å; S303-L307 PolarHBondContact O-N 3.04Å; L307-E309 PolarHBondContact O-N 2.87Å; L307-A310 PolarHBondContact O-N 3.23Å; L307-M311 HydrophobicContact CD1-CE 3.93Å; L307-M311 HydrophobicContact CD1-CG 4.41Å; L307-M311 VanDerWaalsContact O-CB 3.31Å; L307-M311 WeakPolarHBondContact O-CB 3.36Å; L307-M311 VanDerWaalsContact O-CG 3.24Å; L307-M311 WeakPolarHBondContact O-CG 3.46Å; L307-M311 PolarHBondContact O-N 2.84Å; L307-I324 HydrophobicContact CD2-CG2 4.38Å; L307-I327 HydrophobicContact CD2-CB 4.4Å; L307-I327 HydrophobicContact CD2-CG2 3.81Å; L307-I328 HydrophobicContact CD2-CD1 4.14Å; L307-I328 HydrophobicContact CD2-CG1 3.7Å |
| 308 | R | 83.4 | Confident | 80.2 | Confident | 98 Ų | 98 | 62.8 Ų | 62.8 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 176.1 | -174.5 | 177.5 | 179.6 | -161.8 | -5.4 | 112.9 | T304 E306 R312 I324 | T304-R308 VanDerWaalsContact O-CB 3.32Å; T304-R308 WeakPolarHBondContact O-CB 3.27Å; T304-R308 PolarHBondContact O-N 3.46Å; E306-R308 VanDerWaalsContact C-N 3.28Å; E306-R308 PolarHBondContact O-N 3.13Å; R308-R312 WeakPolarHBondContact O-CB 3.49Å; R308-R312 PolarHBondContact O-N 2.85Å; R308-I324 HydrophobicContact CB-CD1 4.01Å; R308-I324 HydrophobicContact CB-CG1 4.02Å; R308-I324 HydrophobicContact CG-CD1 4.34Å; R308-I324 HydrophobicContact CG-CG1 4.12Å |
| 309 | E | 83.4 | Confident | 79.6 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.3 | -43.2 | 177.1 | 172.8 | 147.2 | 167.9 | 0 | 0 | 112.3 | S305 E306 L307 R312 K313 | S305-E309 PolarHBondContact O-N 2.95Å; E306-E309 PolarHBondContact O-N 2.88Å; L307-E309 PolarHBondContact O-N 2.87Å; E309-R312 WeakPolarHBondContact O-CB 3.22Å; E309-R312 PolarHBondContact O-N 3.33Å; E309-R312 IonicContact OE1-NH2 3.99Å; E309-R312 PolarHBondContact OE1-NH2 2.96Å; E309-R312 IonicContact OE2-CZ 3.84Å; E309-R312 IonicContact OE2-NH2 3.41Å; E309-R312 PolarHBondContact OE2-NH2 2.8Å; E309-K313 HydrophobicContact CG-CD 4.2Å; E309-K313 WeakPolarHBondContact O-CG 3.46Å; E309-K313 PolarHBondContact O-N 3.28Å; E309-K313 WeakPolarHBondContact OE1-CE 3.33Å; E309-K313 IonicContact OE1-NZ 2.91Å; E309-K313 PolarHBondContact OE1-NZ 3.46Å |
| 310 | A | 79.4 | Confident | 79.1 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F294 E306 L307 R312 K313 L314 | F294-A310 HydrophobicContact CB-CB 4.26Å; F294-A310 HydrophobicContact CD1-CB 3.43Å; F294-A310 VanDerWaalsContact CD1-CB 3.43Å; F294-A310 HydrophobicContact CD2-CB 4.08Å; F294-A310 HydrophobicContact CE1-CB 3.74Å; F294-A310 HydrophobicContact CE2-CB 4.35Å; F294-A310 HydrophobicContact CG-CB 3.63Å; F294-A310 HydrophobicContact CZ-CB 4.2Å; E306-A310 WeakPolarHBondContact O-CB 3.06Å; E306-A310 PolarHBondContact O-N 2.86Å; L307-A310 PolarHBondContact O-N 3.23Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 3.34Å; A310-K313 WeakPolarHBondContact O-CB 3.19Å; A310-K313 PolarHBondContact O-N 3.45Å; A310-K313 VanDerWaalsContact O-N 3.09Å; A310-L314 WeakPolarHBondContact O-CB 3.32Å; A310-L314 WeakPolarHBondContact O-CD1 3.26Å; A310-L314 VanDerWaalsContact O-CG 3.29Å; A310-L314 WeakPolarHBondContact O-CG 3.43Å; A310-L314 PolarHBondContact O-N 2.97Å |
| 311 | M | 75.8 | Confident | 78.9 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.1 | -43.8 | 173.4 | -74.5 | -50.7 | 110.5 | 0 | 0 | 112 | L188 L192 F294 L307 K313 L314 L315 V319 I324 | L188-M311 HydrophobicContact CD1-SD 4.36Å; L192-M311 HydrophobicContact CD2-CE 3.83Å; L192-M311 HydrophobicContact CD2-SD 4.23Å; F294-M311 HydrophobicContact CE1-CE 3.53Å; F294-M311 HydrophobicContact CZ-CE 4Å; L307-M311 HydrophobicContact CD1-CE 3.93Å; L307-M311 HydrophobicContact CD1-CG 4.41Å; L307-M311 VanDerWaalsContact O-CB 3.31Å; L307-M311 WeakPolarHBondContact O-CB 3.36Å; L307-M311 VanDerWaalsContact O-CG 3.24Å; L307-M311 WeakPolarHBondContact O-CG 3.46Å; L307-M311 PolarHBondContact O-N 2.84Å; M311-K313 VanDerWaalsContact C-N 3.34Å; M311-K313 PolarHBondContact O-N 2.82Å; M311-L314 HydrophobicContact CE-CD1 4.12Å; M311-L314 PolarHBondContact O-N 3.07Å; M311-L315 HydrophobicContact CB-CD1 3.97Å; M311-L315 HydrophobicContact CG-CD1 4.35Å; M311-L315 VanDerWaalsContact O-CB 3.3Å; M311-L315 WeakPolarHBondContact O-CB 3.49Å; M311-L315 PolarHBondContact O-N 2.87Å; M311-L315 HydrophobicContact SD-CD1 3.81Å; M311-V319 HydrophobicContact CB-CG2 3.88Å; M311-I324 HydrophobicContact CG-CD1 4.23Å |
| 312 | R | 77.7 | Confident | 78.5 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.9 | -177.9 | -173.8 | 66.9 | -156.6 | -5.3 | 112.5 | R308 E309 A310 G316 | R308-R312 WeakPolarHBondContact O-CB 3.49Å; R308-R312 PolarHBondContact O-N 2.85Å; E309-R312 WeakPolarHBondContact O-CB 3.22Å; E309-R312 PolarHBondContact O-N 3.33Å; E309-R312 IonicContact OE1-NH2 3.99Å; E309-R312 PolarHBondContact OE1-NH2 2.96Å; E309-R312 IonicContact OE2-CZ 3.84Å; E309-R312 IonicContact OE2-NH2 3.41Å; E309-R312 PolarHBondContact OE2-NH2 2.8Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 3.34Å; R312-G316 WeakPolarHBondContact O-CA 3.31Å; R312-G316 PolarHBondContact O-N 3.13Å |
| 313 | K | 72.1 | Confident | 78.2 | Confident | 118 Ų | 118 | 70.9 Ų | 70.9 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 177.2 | -71.6 | 166.5 | -178.4 | 163.3 | 0 | 111.5 | E309 A310 M311 | E309-K313 HydrophobicContact CG-CD 4.2Å; E309-K313 WeakPolarHBondContact O-CG 3.46Å; E309-K313 PolarHBondContact O-N 3.28Å; E309-K313 WeakPolarHBondContact OE1-CE 3.33Å; E309-K313 IonicContact OE1-NZ 2.91Å; E309-K313 PolarHBondContact OE1-NZ 3.46Å; A310-K313 WeakPolarHBondContact O-CB 3.19Å; A310-K313 PolarHBondContact O-N 3.45Å; A310-K313 VanDerWaalsContact O-N 3.09Å; M311-K313 VanDerWaalsContact C-N 3.34Å; M311-K313 PolarHBondContact O-N 2.82Å |
| 314 | L | 68.1 | Low | 77.9 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 37% | 0.372 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -79.1 | -44.7 | -174.5 | -68.2 | 162.7 | 0 | 0 | 0 | 113.6 | A195 F196 F294 A310 M311 | A195-L314 HydrophobicContact CB-CD2 4.43Å; F196-L314 HydrophobicContact CE2-CD1 3.68Å; F196-L314 HydrophobicContact CE2-CD2 3.79Å; F196-L314 HydrophobicContact CE2-CG 4.39Å; F196-L314 HydrophobicContact CZ-CD1 3.94Å; F196-L314 HydrophobicContact CZ-CD2 3.58Å; F196-L314 HydrophobicContact CZ-CG 4.41Å; F294-L314 HydrophobicContact CE1-CD1 4.33Å; F294-L314 HydrophobicContact CE2-CD1 3.91Å; F294-L314 HydrophobicContact CZ-CD1 3.5Å; F294-L314 VanDerWaalsContact CZ-CD1 3.5Å; A310-L314 WeakPolarHBondContact O-CB 3.32Å; A310-L314 WeakPolarHBondContact O-CD1 3.26Å; A310-L314 VanDerWaalsContact O-CG 3.29Å; A310-L314 WeakPolarHBondContact O-CG 3.43Å; A310-L314 PolarHBondContact O-N 2.97Å; M311-L314 HydrophobicContact CE-CD1 4.12Å; M311-L314 PolarHBondContact O-N 3.07Å |
| 315 | L | 66.4 | Low | 77.7 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 22% | 0.22 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -87 | -10.5 | -176.8 | -67.4 | 148 | 0 | 0 | 0 | 112.6 | L188 M191 M311 H317 V319 | L188-L315 HydrophobicContact CD2-CD1 3.83Å; L188-L315 HydrophobicContact CD2-CD2 4Å; M191-L315 HydrophobicContact CB-CD2 4.43Å; M191-L315 HydrophobicContact CE-CD2 3.42Å; M191-L315 VanDerWaalsContact CE-CD2 3.42Å; M191-L315 HydrophobicContact SD-CD2 3.59Å; M191-L315 VanDerWaalsContact SD-CD2 3.59Å; M311-L315 HydrophobicContact CB-CD1 3.97Å; M311-L315 HydrophobicContact CG-CD1 4.35Å; M311-L315 VanDerWaalsContact O-CB 3.3Å; M311-L315 WeakPolarHBondContact O-CB 3.49Å; M311-L315 PolarHBondContact O-N 2.87Å; M311-L315 HydrophobicContact SD-CD1 3.81Å; L315-H317 PolarHBondContact O-N 3.5Å; L315-H317 PolarHBondContact O-ND1 3.23Å; L315-V319 HydrophobicContact CD1-CG2 3.73Å |
| 316 | G | 65.8 | Low | 77.5 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 64% | 0.639 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 65.5 | 1.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R312 | R312-G316 WeakPolarHBondContact O-CA 3.31Å; R312-G316 PolarHBondContact O-N 3.13Å |
| 317 | H | 69.1 | Low | 77.1 | Confident | 145 Ų | 145 | 69 Ų | 69 | 67% | 0.671 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -131.3 | 153.5 | -173.6 | -63.8 | 83.3 | 0 | 0 | 0 | 110.3 | L315 V319 | L315-H317 PolarHBondContact O-N 3.5Å; L315-H317 PolarHBondContact O-ND1 3.23Å; H317-V319 PolarHBondContact O-N 3.22Å |
| 318 | Q | 70.8 | Confident | 77.1 | Confident | 153 Ų | 153 | 69.2 Ų | 69.2 | 72% | 0.715 | 33% | 0.334 | S | S | * | . | trans | -77.9 | 115.6 | 177.3 | -69.1 | -171.6 | 78.3 | 0 | 0 | 110.8 | ||||
| 319 | V | 73.7 | Confident | 77.1 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | trans | -72.5 | 140.9 | 166.5 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | F184 M311 L315 H317 D323 I324 | F184-V319 HydrophobicContact CE1-CG1 4.05Å; F184-V319 HydrophobicContact CZ-CG1 3.86Å; M311-V319 HydrophobicContact CB-CG2 3.88Å; L315-V319 HydrophobicContact CD1-CG2 3.73Å; H317-V319 PolarHBondContact O-N 3.22Å; V319-D323 HydrophobicContact CG1-CB 3.72Å; V319-I324 HydrophobicContact CB-CD1 4.07Å; V319-I324 HydrophobicContact CB-CG1 4.42Å; V319-I324 HydrophobicContact CG1-CD1 3.7Å; V319-I324 HydrophobicContact CG1-CG1 3.93Å | ||
| 320 | G | 78 | Confident | 77 | Confident | 29 Ų | 29 | 71 Ų | 71 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | trans | -72.5 | 153.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R322 D323 I324 | G320-R322 PolarHBondContact O-N 3.22Å; G320-D323 VanDerWaalsContact CA-OD2 3.26Å; G320-D323 WeakPolarHBondContact CA-OD2 3.48Å; G320-D323 PolarHBondContact N-OD2 3.35Å; G320-D323 PolarHBondContact O-N 2.94Å; G320-I324 WeakPolarHBondContact O-CG1 3.36Å; G320-I324 PolarHBondContact O-N 3.27Å; G320-I324 VanDerWaalsContact O-N 3.14Å | ||
| 321 | H | 80.6 | Confident | 77.1 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 55% | 0.546 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.8 | -37.1 | -179.9 | -163.3 | -80.8 | 0 | 0 | 0 | 112.3 | I324 E325 | H321-I324 PolarHBondContact O-N 3.26Å; H321-E325 IonicContact CE1-OE1 3.19Å; H321-E325 PolarHBondContact CE1-OE1 3.1Å; H321-E325 IonicContact CG-OE1 3.95Å; H321-E325 IonicContact ND1-OE1 2.68Å; H321-E325 PolarHBondContact ND1-OE1 2.95Å; H321-E325 WeakPolarHBondContact O-CG 3.24Å; H321-E325 PolarHBondContact O-N 3.49Å |
| 322 | R | 81.7 | Confident | 77.6 | Confident | 203 Ų | 203 | 72.4 Ų | 72.4 | 77% | 0.766 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 177.1 | -69.3 | -176.7 | 173.8 | -174.9 | -3.4 | 112.2 | G320 I324 E325 E326 | G320-R322 PolarHBondContact O-N 3.22Å; R322-I324 VanDerWaalsContact C-N 3.29Å; R322-I324 PolarHBondContact O-N 2.94Å; R322-E325 WeakPolarHBondContact O-CB 3.19Å; R322-E325 PolarHBondContact O-N 3.2Å; R322-E326 WeakPolarHBondContact O-CB 3.32Å; R322-E326 PolarHBondContact O-N 3.27Å |
| 323 | D | 81.8 | Confident | 77.9 | Confident | 53 Ų | 53 | 72 Ų | 72 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | -180 | -22 | -37.6 | 0 | 0 | 0 | 110.8 | F184 V319 G320 E326 I327 | F184-D323 HydrophobicContact CD1-CB 3.89Å; F184-D323 HydrophobicContact CE1-CB 3.48Å; F184-D323 VanDerWaalsContact CE1-CB 3.48Å; F184-D323 HydrophobicContact CE2-CB 4.2Å; F184-D323 HydrophobicContact CG-CB 4.39Å; F184-D323 HydrophobicContact CZ-CB 3.68Å; V319-D323 HydrophobicContact CG1-CB 3.72Å; G320-D323 VanDerWaalsContact CA-OD2 3.26Å; G320-D323 WeakPolarHBondContact CA-OD2 3.48Å; G320-D323 PolarHBondContact N-OD2 3.35Å; G320-D323 PolarHBondContact O-N 2.94Å; D323-E326 WeakPolarHBondContact O-CB 3.48Å; D323-E326 PolarHBondContact O-N 2.79Å; D323-I327 WeakPolarHBondContact O-CD1 3.29Å; D323-I327 VanDerWaalsContact O-CG1 3.25Å; D323-I327 WeakPolarHBondContact O-CG1 3.38Å; D323-I327 PolarHBondContact O-N 3.33Å |
| 324 | I | 82.6 | Confident | 78.5 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 171.5 | -60.5 | -65.8 | 0 | 0 | 0 | 112 | L307 R308 M311 V319 G320 H321 R322 E326 I327 I328 | L307-I324 HydrophobicContact CD2-CG2 4.38Å; R308-I324 HydrophobicContact CB-CD1 4.01Å; R308-I324 HydrophobicContact CB-CG1 4.02Å; R308-I324 HydrophobicContact CG-CD1 4.34Å; R308-I324 HydrophobicContact CG-CG1 4.12Å; M311-I324 HydrophobicContact CG-CD1 4.23Å; V319-I324 HydrophobicContact CB-CD1 4.07Å; V319-I324 HydrophobicContact CB-CG1 4.42Å; V319-I324 HydrophobicContact CG1-CD1 3.7Å; V319-I324 HydrophobicContact CG1-CG1 3.93Å; G320-I324 WeakPolarHBondContact O-CG1 3.36Å; G320-I324 PolarHBondContact O-N 3.27Å; G320-I324 VanDerWaalsContact O-N 3.14Å; H321-I324 PolarHBondContact O-N 3.26Å; R322-I324 VanDerWaalsContact C-N 3.29Å; R322-I324 PolarHBondContact O-N 2.94Å; I324-E326 VanDerWaalsContact C-N 3.25Å; I324-E326 PolarHBondContact O-N 2.99Å; I324-I327 HydrophobicContact CD1-CD1 3.97Å; I324-I327 PolarHBondContact O-N 3.2Å; I324-I328 PolarHBondContact O-N 2.89Å |
| 325 | E | 82.8 | Confident | 79.3 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -32.4 | 173.5 | -71.8 | 168.7 | -145.9 | 0 | 0 | 112.6 | H321 R322 R329 | H321-E325 IonicContact CE1-OE1 3.19Å; H321-E325 PolarHBondContact CE1-OE1 3.1Å; H321-E325 IonicContact CG-OE1 3.95Å; H321-E325 IonicContact ND1-OE1 2.68Å; H321-E325 PolarHBondContact ND1-OE1 2.95Å; H321-E325 WeakPolarHBondContact O-CG 3.24Å; H321-E325 PolarHBondContact O-N 3.49Å; R322-E325 WeakPolarHBondContact O-CB 3.19Å; R322-E325 PolarHBondContact O-N 3.2Å; E325-R329 WeakPolarHBondContact O-CB 3.47Å; E325-R329 PolarHBondContact O-N 2.94Å; E325-R329 PolarHBondContact O-NH2 2.85Å |
| 326 | E | 82.5 | Confident | 80.2 | Confident | 49 Ų | 49 | 71.8 Ų | 71.8 | 23% | 0.229 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71 | -48.4 | 176 | -166.1 | 176.5 | 114.3 | 0 | 0 | 111.2 | D182 F184 R322 D323 I324 I328 R329 D330 | D182-E326 HydrophobicContact CB-CG 4.35Å; F184-E326 VanDerWaalsContact CB-OE1 3.3Å; F184-E326 WeakPolarHBondContact CB-OE1 3.31Å; R322-E326 WeakPolarHBondContact O-CB 3.32Å; R322-E326 PolarHBondContact O-N 3.27Å; D323-E326 WeakPolarHBondContact O-CB 3.48Å; D323-E326 PolarHBondContact O-N 2.79Å; I324-E326 VanDerWaalsContact C-N 3.25Å; I324-E326 PolarHBondContact O-N 2.99Å; E326-I328 VanDerWaalsContact C-N 3.34Å; E326-I328 PolarHBondContact O-N 2.96Å; E326-R329 PolarHBondContact O-N 2.87Å; E326-D330 PolarHBondContact O-N 2.97Å |
| 327 | I | 79.1 | Confident | 81.1 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -54 | -49.9 | 173.9 | -66.3 | 153.7 | 0 | 0 | 0 | 111.2 | F184 L185 L188 L307 D323 I324 R329 D330 V331 | F184-I327 HydrophobicContact CD1-CD1 4.22Å; F184-I327 HydrophobicContact CD1-CG1 4.01Å; F184-I327 HydrophobicContact CE1-CD1 3.8Å; F184-I327 HydrophobicContact CE1-CG1 4.11Å; L185-I327 HydrophobicContact CD2-CB 4.36Å; L185-I327 HydrophobicContact CD2-CG1 4Å; L185-I327 HydrophobicContact CD2-CG2 4.13Å; L188-I327 HydrophobicContact CD1-CD1 3.63Å; L188-I327 HydrophobicContact CD1-CG1 3.92Å; L307-I327 HydrophobicContact CD2-CB 4.4Å; L307-I327 HydrophobicContact CD2-CG2 3.81Å; D323-I327 WeakPolarHBondContact O-CD1 3.29Å; D323-I327 VanDerWaalsContact O-CG1 3.25Å; D323-I327 WeakPolarHBondContact O-CG1 3.38Å; D323-I327 PolarHBondContact O-N 3.33Å; I324-I327 HydrophobicContact CD1-CD1 3.97Å; I324-I327 PolarHBondContact O-N 3.2Å; I327-R329 PolarHBondContact O-N 2.99Å; I327-D330 PolarHBondContact O-N 3.12Å; I327-V331 HydrophobicContact CG2-CG2 4.36Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 3.22Å |
| 328 | I | 83.9 | Confident | 82 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 5% | 0.046 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | -178.4 | -68.8 | -165.3 | 0 | 0 | 0 | 110.1 | T304 L307 I324 E326 D330 V331 D332 V339 | T304-I328 HydrophobicContact CG2-CD1 3.52Å; L307-I328 HydrophobicContact CD2-CD1 4.14Å; L307-I328 HydrophobicContact CD2-CG1 3.7Å; I324-I328 PolarHBondContact O-N 2.89Å; E326-I328 VanDerWaalsContact C-N 3.34Å; E326-I328 PolarHBondContact O-N 2.96Å; I328-D330 PolarHBondContact O-N 2.68Å; I328-D330 VanDerWaalsContact O-N 3.09Å; I328-V331 PolarHBondContact O-N 2.93Å; I328-D332 HydrophobicContact CG2-CB 3.83Å; I328-D332 WeakPolarHBondContact O-CB 3.07Å; I328-D332 PolarHBondContact O-N 3.44Å; I328-V339 HydrophobicContact CG1-CG2 4.33Å |
| 329 | R | 84 | Confident | 82.8 | Confident | 152 Ų | 152 | 60.4 Ų | 60.4 | 57% | 0.574 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.1 | -27.9 | 179.6 | -165.3 | -174.2 | -51.8 | 110.9 | 11.4 | 114.4 | E325 E326 I327 | E325-R329 WeakPolarHBondContact O-CB 3.47Å; E325-R329 PolarHBondContact O-N 2.94Å; E325-R329 PolarHBondContact O-NH2 2.85Å; E326-R329 PolarHBondContact O-N 2.87Å; I327-R329 PolarHBondContact O-N 2.99Å |
| 330 | D | 81.6 | Confident | 83.6 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -89.2 | -19.8 | 178.8 | -86.1 | 12.2 | 0 | 0 | 0 | 113.9 | L185 E326 I327 I328 | L185-D330 HydrophobicContact CD1-CB 3.38Å; L185-D330 WeakPolarHBondContact CD1-OD2 3.45Å; L185-D330 HydrophobicContact CG-CB 4.29Å; E326-D330 PolarHBondContact O-N 2.97Å; I327-D330 PolarHBondContact O-N 3.12Å; I328-D330 PolarHBondContact O-N 2.68Å; I328-D330 VanDerWaalsContact O-N 3.09Å |
| 331 | V | 81.6 | Confident | 83.8 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -105.2 | -39.3 | -175.5 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | L185 I327 I328 L333 V339 E343 M347 | L185-V331 HydrophobicContact CD1-CG2 4.38Å; I327-V331 HydrophobicContact CG2-CG2 4.36Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 3.22Å; I328-V331 PolarHBondContact O-N 2.93Å; V331-L333 PolarHBondContact O-N 3.21Å; V331-V339 HydrophobicContact CB-CG2 4.44Å; V331-V339 HydrophobicContact CG1-CG1 3.71Å; V331-V339 HydrophobicContact CG1-CG2 3.96Å; V331-E343 HydrophobicContact CG1-CB 4.14Å; V331-M347 HydrophobicContact CG1-CB 4.18Å; V331-M347 HydrophobicContact CG2-CB 4.22Å; V331-M347 HydrophobicContact CG2-CG 3.97Å; V331-M347 HydrophobicContact CG2-SD 3.93Å |
| 332 | D | 86.8 | Confident | 83.9 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | trans | -66.4 | 107.2 | 173.9 | 178 | 6.1 | 0 | 0 | 0 | 109.7 | I328 N334 G335 D336 G337 | I328-D332 HydrophobicContact CG2-CB 3.83Å; I328-D332 WeakPolarHBondContact O-CB 3.07Å; I328-D332 PolarHBondContact O-N 3.44Å; D332-N334 PolarHBondContact OD1-N 3.38Å; D332-N334 VanDerWaalsContact OD1-N 3.14Å; D332-G335 WeakPolarHBondContact OD1-CA 3.36Å; D332-G335 PolarHBondContact OD1-N 2.88Å; D332-G335 WeakPolarHBondContact OD2-CA 3.06Å; D332-D336 PolarHBondContact OD1-N 2.95Å; D332-D336 PolarHBondContact OD2-N 3.33Å; D332-G337 WeakPolarHBondContact OD2-CA 3.24Å; D332-G337 PolarHBondContact OD2-N 2.76Å | ||
| 333 | L | 82.4 | Confident | 84.1 | Confident | 105 Ų | 105 | 56.3 Ų | 56.3 | 55% | 0.55 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -93.4 | -22.6 | 177.8 | -62 | 179.3 | 0 | 0 | 0 | 111.9 | V331 E343 | V331-L333 PolarHBondContact O-N 3.21Å; L333-E343 HydrophobicContact CG-CG 4.43Å; L333-E343 PolarHBondContact N-OE1 3.45Å |
| 334 | N | 84.9 | Confident | 84 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 47% | 0.465 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -92.3 | -24.3 | -170.8 | 86.1 | 43.5 | 0 | 0 | 0 | 112.1 | D332 D336 E343 | D332-N334 PolarHBondContact OD1-N 3.38Å; D332-N334 VanDerWaalsContact OD1-N 3.14Å; N334-D336 PolarHBondContact ND2-OD2 3.25Å; N334-D336 WeakPolarHBondContact OD1-CB 3.28Å; N334-D336 PolarHBondContact OD1-N 2.91Å; N334-D336 PolarHBondContact OD1-OD2 2.9Å; N334-D336 VanDerWaalsContact OD1-OD2 3.1Å; N334-E343 PolarHBondContact N-OE1 2.87Å |
| 335 | G | 85.4 | Confident | 83.6 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 66% | 0.66 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 89.5 | 17.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | D332 | D332-G335 WeakPolarHBondContact OD1-CA 3.36Å; D332-G335 PolarHBondContact OD1-N 2.88Å; D332-G335 WeakPolarHBondContact OD2-CA 3.06Å |
| 336 | D | 86 | Confident | 83.2 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -85.3 | -10.4 | -176.8 | 70.6 | 22.3 | 0 | 0 | 0 | 114.8 | D332 N334 R338 | D332-D336 PolarHBondContact OD1-N 2.95Å; D332-D336 PolarHBondContact OD2-N 3.33Å; N334-D336 PolarHBondContact ND2-OD2 3.25Å; N334-D336 WeakPolarHBondContact OD1-CB 3.28Å; N334-D336 PolarHBondContact OD1-N 2.91Å; N334-D336 PolarHBondContact OD1-OD2 2.9Å; N334-D336 VanDerWaalsContact OD1-OD2 3.1Å; D336-R338 WeakPolarHBondContact OD1-CA 3.49Å; D336-R338 VanDerWaalsContact OD1-CB 3.24Å; D336-R338 WeakPolarHBondContact OD1-CB 3.5Å; D336-R338 PolarHBondContact OD1-N 3.33Å |
| 337 | G | 84.4 | Confident | 82.7 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 78.7 | 16.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D332 | D332-G337 WeakPolarHBondContact OD2-CA 3.24Å; D332-G337 PolarHBondContact OD2-N 2.76Å |
| 338 | R | 88.1 | Confident | 82.1 | Confident | 83 Ų | 83 | 58 Ų | 58 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -120.9 | -173.6 | 173.8 | -55.1 | 178.4 | 159.7 | -121.4 | -10.7 | 108.7 | D299 E301 D336 | D299-R338 IonicContact OD2-CZ 3.94Å; D299-R338 IonicContact OD2-NH1 3.54Å; D299-R338 PolarHBondContact OD2-NH1 2.95Å; E301-R338 HydrophobicContact CB-CB 4.29Å; E301-R338 WeakPolarHBondContact OE2-CD 3.2Å; E301-R338 IonicContact OE2-CZ 2.81Å; E301-R338 IonicContact OE2-NE 2.83Å; E301-R338 PolarHBondContact OE2-NE 2.93Å; E301-R338 IonicContact OE2-NH1 3.93Å; E301-R338 PolarHBondContact OE2-NH1 3.13Å; D336-R338 WeakPolarHBondContact OD1-CA 3.49Å; D336-R338 VanDerWaalsContact OD1-CB 3.24Å; D336-R338 WeakPolarHBondContact OD1-CB 3.5Å; D336-R338 PolarHBondContact OD1-N 3.33Å |
| 339 | V | 87.7 | Confident | 80.7 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -134.6 | 114.7 | 173.1 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | I302 I328 V331 E343 F344 | I302-V339 HydrophobicContact CB-CB 4.32Å; I302-V339 PolarHBondContact N-O 2.79Å; I302-V339 PolarHBondContact O-N 3.24Å; I302-V339 VanDerWaalsContact O-N 3.09Å; I328-V339 HydrophobicContact CG1-CG2 4.33Å; V331-V339 HydrophobicContact CB-CG2 4.44Å; V331-V339 HydrophobicContact CG1-CG1 3.71Å; V331-V339 HydrophobicContact CG1-CG2 3.96Å; V339-E343 HydrophobicContact CG1-CB 3.95Å; V339-F344 HydrophobicContact CG1-CB 4.08Å |
| 340 | D | 88.8 | Confident | 79 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | trans | -80 | 176.6 | 176.3 | 80 | 35.4 | 0 | 0 | 0 | 112.6 | E342 E343 F344 | D340-E342 PolarHBondContact O-N 3.32Å; D340-E342 WeakPolarHBondContact OD1-CA 3.34Å; D340-E342 WeakPolarHBondContact OD1-CB 3.46Å; D340-E342 PolarHBondContact OD1-N 2.96Å; D340-E343 PolarHBondContact N-OE2 3.26Å; D340-E343 PolarHBondContact OD1-N 3.44Å; D340-F344 VanDerWaalsContact O-CB 3.31Å; D340-F344 WeakPolarHBondContact O-CB 3.4Å; D340-F344 PolarHBondContact O-N 2.88Å | ||
| 341 | F | 83.9 | Confident | 78.9 | Confident | 68 Ų | 68 | 65.2 Ų | 65.2 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.1 | -34.6 | -179.1 | -178.4 | -106.9 | 0 | 0 | 0 | 113.6 | V284 L287 R288 F291 V345 | V284-F341 HydrophobicContact CG1-CE1 4.37Å; V284-F341 HydrophobicContact CG1-CZ 4.2Å; L287-F341 HydrophobicContact CB-CE2 4.31Å; L287-F341 HydrophobicContact CB-CZ 4.49Å; R288-F341 HydrophobicContact CB-CE2 3.74Å; R288-F341 HydrophobicContact CB-CZ 3.98Å; R288-F341 HydrophobicContact CG-CE2 4.25Å; F291-F341 HydrophobicContact CB-CD2 4.06Å; F291-F341 HydrophobicContact CB-CE2 4.35Å; F291-F341 HydrophobicContact CD2-CB 4.43Å; F291-F341 AromaticContact CD2-CD2 3.94Å; F291-F341 HydrophobicContact CD2-CD2 3.94Å; F291-F341 HydrophobicContact CE2-CB 4.24Å; F291-F341 AromaticContact CG-CD2 3.92Å; F291-F341 HydrophobicContact CG-CD2 3.92Å; F291-F341 HydrophobicContact CZ-CB 4.44Å; F341-V345 HydrophobicContact CD1-CG2 4.27Å; F341-V345 HydrophobicContact CD2-CG2 4.44Å; F341-V345 HydrophobicContact CE1-CG2 3.84Å; F341-V345 HydrophobicContact CE2-CG2 4Å; F341-V345 HydrophobicContact CZ-CG2 3.69Å; F341-V345 WeakPolarHBondContact O-CB 3.35Å; F341-V345 WeakPolarHBondContact O-CG2 3.43Å; F341-V345 PolarHBondContact O-N 3.07Å |
| 342 | E | 82.2 | Confident | 78.8 | Confident | 149 Ų | 149 | 68.1 Ų | 68.1 | 70% | 0.696 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -72.6 | -39.3 | 178.9 | -169.5 | 172.1 | 158.2 | 0 | 0 | 110.8 | D340 V345 R346 | D340-E342 PolarHBondContact O-N 3.32Å; D340-E342 WeakPolarHBondContact OD1-CA 3.34Å; D340-E342 WeakPolarHBondContact OD1-CB 3.46Å; D340-E342 PolarHBondContact OD1-N 2.96Å; E342-V345 PolarHBondContact O-N 3.07Å; E342-R346 VanDerWaalsContact O-CB 3.31Å; E342-R346 WeakPolarHBondContact O-CB 3.34Å; E342-R346 PolarHBondContact O-N 3.29Å |
| 343 | E | 85.1 | Confident | 78.3 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 173.1 | -66.8 | 172.3 | 151.8 | 0 | 0 | 111.9 | V331 L333 N334 V339 D340 R346 M347 | V331-E343 HydrophobicContact CG1-CB 4.14Å; L333-E343 HydrophobicContact CG-CG 4.43Å; L333-E343 PolarHBondContact N-OE1 3.45Å; N334-E343 PolarHBondContact N-OE1 2.87Å; V339-E343 HydrophobicContact CG1-CB 3.95Å; D340-E343 PolarHBondContact N-OE2 3.26Å; D340-E343 PolarHBondContact OD1-N 3.44Å; E343-R346 WeakPolarHBondContact O-CB 3.18Å; E343-R346 PolarHBondContact O-N 2.71Å; E343-M347 PolarHBondContact O-N 2.92Å |
| 344 | F | 79.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 173.9 | -178.6 | -94.2 | 0 | 0 | 0 | 112.5 | L287 A290 F291 F294 I302 V339 D340 R346 M347 M348 | L287-F344 HydrophobicContact CB-CE1 4.46Å; L287-F344 HydrophobicContact CD2-CD1 4.41Å; L287-F344 HydrophobicContact CD2-CE1 3.95Å; L287-F344 WeakPolarHBondContact O-CE1 3.34Å; A290-F344 HydrophobicContact CB-CE1 4.47Å; A290-F344 HydrophobicContact CB-CZ 4.34Å; F291-F344 HydrophobicContact CB-CD1 4.3Å; F291-F344 HydrophobicContact CB-CE1 4.31Å; F291-F344 HydrophobicContact CD2-CB 3.71Å; F291-F344 AromaticContact CD2-CD1 3.94Å; F291-F344 HydrophobicContact CD2-CD1 3.94Å; F291-F344 HydrophobicContact CD2-CD2 4.2Å; F291-F344 AromaticContact CD2-CG 3.7Å; F291-F344 HydrophobicContact CD2-CG 3.7Å; F291-F344 HydrophobicContact CE2-CB 3.95Å; F291-F344 HydrophobicContact CE2-CG 4.36Å; F294-F344 HydrophobicContact CD1-CE2 4.13Å; F294-F344 HydrophobicContact CE1-CE2 4.07Å; F294-F344 HydrophobicContact CE2-CE2 4.44Å; F294-F344 HydrophobicContact CE2-CZ 4.47Å; F294-F344 HydrophobicContact CG-CE2 4.36Å; F294-F344 HydrophobicContact CZ-CE2 4.22Å; I302-F344 HydrophobicContact CD1-CD2 3.62Å; I302-F344 HydrophobicContact CD1-CE2 4.03Å; I302-F344 HydrophobicContact CD1-CG 4.33Å; V339-F344 HydrophobicContact CG1-CB 4.08Å; D340-F344 VanDerWaalsContact O-CB 3.31Å; D340-F344 WeakPolarHBondContact O-CB 3.4Å; D340-F344 PolarHBondContact O-N 2.88Å; F344-R346 VanDerWaalsContact C-N 3.31Å; F344-R346 PolarHBondContact O-N 3.31Å; F344-M347 HydrophobicContact CD2-CE 3.72Å; F344-M347 HydrophobicContact CE2-CE 3.84Å; F344-M347 WeakPolarHBondContact O-CB 3.4Å; F344-M347 PolarHBondContact O-N 3.43Å; F344-M348 HydrophobicContact CE1-CE 4.31Å; F344-M348 HydrophobicContact CE1-CG 4.32Å; F344-M348 HydrophobicContact CE2-CE 3.9Å; F344-M348 HydrophobicContact CZ-CE 3.62Å; F344-M348 HydrophobicContact CZ-CG 4.5Å; F344-M348 WeakPolarHBondContact O-CG 3.49Å; F344-M348 PolarHBondContact O-N 3.26Å |
| 345 | V | 76.1 | Confident | 77.6 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 173.2 | 169 | 0 | 0 | 0 | 0 | 109.7 | L287 F341 E342 M347 M348 S349 | L287-V345 HydrophobicContact CB-CG2 4.39Å; L287-V345 HydrophobicContact CD1-CB 4.49Å; L287-V345 HydrophobicContact CD1-CG1 4.25Å; L287-V345 HydrophobicContact CD1-CG2 4.01Å; F341-V345 HydrophobicContact CD1-CG2 4.27Å; F341-V345 HydrophobicContact CD2-CG2 4.44Å; F341-V345 HydrophobicContact CE1-CG2 3.84Å; F341-V345 HydrophobicContact CE2-CG2 4Å; F341-V345 HydrophobicContact CZ-CG2 3.69Å; F341-V345 WeakPolarHBondContact O-CB 3.35Å; F341-V345 WeakPolarHBondContact O-CG2 3.43Å; F341-V345 PolarHBondContact O-N 3.07Å; E342-V345 PolarHBondContact O-N 3.07Å; V345-M347 VanDerWaalsContact C-N 3.3Å; V345-M347 PolarHBondContact O-N 3.06Å; V345-M348 PolarHBondContact O-N 3.5Å; V345-S349 PolarHBondContact O-N 3.41Å; V345-S349 PolarHBondContact O-OG 3.3Å; V345-S349 VanDerWaalsContact O-OG 3.08Å |
| 346 | R | 72.9 | Confident | 77.1 | Confident | 129 Ų | 129 | 67.3 Ų | 67.3 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -32.6 | 179.1 | -167.4 | -174.9 | -168.7 | 124.8 | -2.2 | 113.5 | E342 E343 F344 M348 R350 | E342-R346 VanDerWaalsContact O-CB 3.31Å; E342-R346 WeakPolarHBondContact O-CB 3.34Å; E342-R346 PolarHBondContact O-N 3.29Å; E343-R346 WeakPolarHBondContact O-CB 3.18Å; E343-R346 PolarHBondContact O-N 2.71Å; F344-R346 VanDerWaalsContact C-N 3.31Å; F344-R346 PolarHBondContact O-N 3.31Å; R346-M348 VanDerWaalsContact C-N 3.32Å; R346-R350 WeakPolarHBondContact O-CB 3.48Å |
| 347 | M | 71.6 | Confident | 76.5 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 18% | 0.177 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -36 | 172.2 | -176.9 | -175.5 | 65.2 | 0 | 0 | 111.7 | L192 V331 E343 F344 V345 | L192-M347 HydrophobicContact CD1-CE 4.45Å; L192-M347 HydrophobicContact CD1-SD 4.38Å; V331-M347 HydrophobicContact CG1-CB 4.18Å; V331-M347 HydrophobicContact CG2-CB 4.22Å; V331-M347 HydrophobicContact CG2-CG 3.97Å; V331-M347 HydrophobicContact CG2-SD 3.93Å; E343-M347 PolarHBondContact O-N 2.92Å; F344-M347 HydrophobicContact CD2-CE 3.72Å; F344-M347 HydrophobicContact CE2-CE 3.84Å; F344-M347 WeakPolarHBondContact O-CB 3.4Å; F344-M347 PolarHBondContact O-N 3.43Å; V345-M347 VanDerWaalsContact C-N 3.3Å; V345-M347 PolarHBondContact O-N 3.06Å |
| 348 | M | 66.6 | Low | 75.9 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 17% | 0.167 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -86.6 | -26.4 | -178.1 | -64 | -62 | -168.7 | 0 | 0 | 114 | L192 F196 L287 F344 V345 R346 | L192-M348 HydrophobicContact CB-SD 4.27Å; F196-M348 HydrophobicContact CB-CE 4.19Å; F196-M348 HydrophobicContact CB-SD 4.35Å; F196-M348 HydrophobicContact CD2-CE 3.78Å; F196-M348 HydrophobicContact CE2-CE 4.47Å; F196-M348 HydrophobicContact CG-CE 4.16Å; L287-M348 HydrophobicContact CD2-CB 3.67Å; L287-M348 HydrophobicContact CD2-CG 3.64Å; F344-M348 HydrophobicContact CE1-CE 4.31Å; F344-M348 HydrophobicContact CE1-CG 4.32Å; F344-M348 HydrophobicContact CE2-CE 3.9Å; F344-M348 HydrophobicContact CZ-CE 3.62Å; F344-M348 HydrophobicContact CZ-CG 4.5Å; F344-M348 WeakPolarHBondContact O-CG 3.49Å; F344-M348 PolarHBondContact O-N 3.26Å; V345-M348 PolarHBondContact O-N 3.5Å; R346-M348 VanDerWaalsContact C-N 3.32Å |
| 349 | S | 55.8 | Low | 74.9 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 64% | 0.643 | 32% | 0.319 | S | S | * | . | trans | -86.9 | 5.9 | -176.8 | -57.7 | 0 | 0 | 0 | 0 | 115.8 | V345 | V345-S349 PolarHBondContact O-N 3.41Å; V345-S349 PolarHBondContact O-OG 3.3Å; V345-S349 VanDerWaalsContact O-OG 3.08Å | ||
| 350 | R | 48.4 | Very low | 73.7 | Confident | 209 Ų | 209 | 74 Ų | 74 | 79% | 0.789 | 35% | 0.345 | S | S | * | . | trans | -117.2 | 0 | -164.2 | -157.1 | -179.9 | -165.4 | -162.4 | 2.1 | 114.3 | R189 R346 | R189-R350 PolarHBondContact NE-O 2.86Å; R189-R350 PolarHBondContact NH1-O 3.44Å; R189-R350 PolarHBondContact NH1-OXT 2.79Å; R346-R350 WeakPolarHBondContact O-CB 3.48Å |
Retrieved 350 of 350 residues in 216 ms
(Link to these results)