| 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 | 49.7 | Very low | 55.1 | Low | 246 Ų | 246 | 141.5 Ų | 141.5 | 100% | 1.212 | 83% | 0.825 | S | S | * | * | 0 | 134.4 | 0 | -62.9 | 171.6 | 82 | 0 | 0 | 107.2 | |||||
| 2 | S | 47.2 | Very low | 54.9 | Low | 129 Ų | 129 | 144.1 Ų | 144.1 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -74.8 | 142.5 | -171.3 | -48.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3 | A | 51.3 | Low | 54.8 | Low | 90 Ų | 90 | 147.3 Ų | 147.3 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -131.1 | 105 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | A | 49.8 | Very low | 54.8 | Low | 98 Ų | 98 | 153.3 Ų | 153.3 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -86.2 | 134 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 5 | F | 59.3 | Low | 54.7 | Low | 189 Ų | 189 | 151.3 Ų | 151.3 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | trans | -113.2 | 129 | 165.1 | -79.8 | -85 | 0 | 0 | 0 | 108.9 | ||||
| 6 | P | 67 | Low | 54.8 | Low | 112 Ų | 112 | 153.4 Ų | 153.4 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -78.8 | 141.7 | 177.7 | 31.9 | -33.6 | 0 | 0 | 0 | 110.9 | S8 | P6-S8 PolarHBondContact O-N 2.71Š| ||
| 7 | P | 60.3 | Low | 54.4 | Low | 116 Ų | 116 | 148.2 Ų | 148.2 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | -71.4 | 118.6 | 166.5 | 29.1 | -31.5 | 0 | 0 | 0 | 109.4 | L9 | P7-L9 PolarHBondContact O-N 3.46Š| ||
| 8 | S | 51.9 | Low | 54.4 | Low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -68.9 | 102 | 176.4 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | P6 M10 | P6-S8 PolarHBondContact O-N 2.71Å; S8-M10 PolarHBondContact O-N 2.66Å | ||
| 9 | L | 55.3 | Low | 54.1 | Low | 144 Ų | 144 | 144.2 Ų | 144.2 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | trans | -71.1 | 89.5 | 172.1 | -77.3 | 173.8 | 0 | 0 | 0 | 110 | P7 M11 | P7-L9 PolarHBondContact O-N 3.46Å; L9-M11 VanDerWaalsContact C-N 3.29Å; L9-M11 PolarHBondContact O-N 3.25Å | ||
| 10 | M | 56.6 | Low | 54.2 | Low | 160 Ų | 160 | 142.1 Ų | 142.1 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | -68.4 | 90.9 | 163.4 | -73.5 | -168.3 | 171.5 | 0 | 0 | 109.6 | S8 M12 | S8-M10 PolarHBondContact O-N 2.66Å; M10-M12 VanDerWaalsContact C-N 3.35Å; M10-M12 PolarHBondContact O-N 3.02Å | ||
| 11 | M | 57.9 | Low | 53.9 | Low | 168 Ų | 168 | 139 Ų | 139 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -65.8 | 92.2 | 170 | -64.8 | -179.5 | -179.1 | 0 | 0 | 109.3 | L9 Q13 | L9-M11 VanDerWaalsContact C-N 3.29Å; L9-M11 PolarHBondContact O-N 3.25Å; M11-Q13 VanDerWaalsContact C-N 3.28Å; M11-Q13 PolarHBondContact O-N 3.33Å | ||
| 12 | M | 51.9 | Low | 53.9 | Low | 173 Ų | 173 | 136.7 Ų | 136.7 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -69.5 | 90.2 | 169.2 | -76.8 | -163.7 | 169.5 | 0 | 0 | 109.9 | M10 R14 | M10-M12 VanDerWaalsContact C-N 3.35Å; M10-M12 PolarHBondContact O-N 3.02Å; M12-R14 PolarHBondContact O-N 3.4Å; M12-R14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | Q | 54.3 | Low | 54.2 | Low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -61.3 | 105.7 | 174.4 | -167.3 | 172.7 | 89.2 | 0 | 0 | 109 | M11 P15 | M11-Q13 VanDerWaalsContact C-N 3.28Å; M11-Q13 PolarHBondContact O-N 3.33Å; Q13-P15 WeakPolarHBondContact O-CD 3.48Å | ||
| 14 | R | 54.7 | Low | 54.4 | Low | 231 Ų | 231 | 136.5 Ų | 136.5 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -67.4 | 124.4 | 174.7 | -75.4 | 179.9 | 173.8 | 156.6 | -1.5 | 109 | M12 L16 | M12-R14 PolarHBondContact O-N 3.4Å; M12-R14 VanDerWaalsContact O-N 3.09Å; R14-L16 PolarHBondContact O-N 2.94Å | ||
| 15 | P | 53.3 | Low | 54.7 | Low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -61.8 | 132.1 | 172.7 | -21.9 | 33.7 | 0 | 0 | 0 | 110.5 | Q13 G17 | Q13-P15 WeakPolarHBondContact O-CD 3.48Å; P15-G17 PolarHBondContact O-N 2.87Å | ||
| 16 | L | 56.8 | Low | 54.6 | Low | 186 Ų | 186 | 135 Ų | 135 | 97% | 0.974 | 77% | 0.766 | S | S | * | * | trans | -74.4 | 68.5 | 166.4 | -72.3 | 170.4 | 0 | 0 | 0 | 109.3 | R14 S18 | R14-L16 PolarHBondContact O-N 2.94Å; L16-S18 PolarHBondContact O-N 3.3Å | ||
| 17 | G | 46.6 | Very low | 54.2 | Low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | trans | -75.6 | 117.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P15 S19 | P15-G17 PolarHBondContact O-N 2.87Å; G17-S19 PolarHBondContact O-N 3.37Å | ||
| 18 | S | 54.2 | Low | 54.1 | Low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -55.4 | 110.9 | 167.6 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | L16 T20 | L16-S18 PolarHBondContact O-N 3.3Å; S18-T20 PolarHBondContact O-N 3.19Å | ||
| 19 | S | 50.3 | Low | 54.5 | Low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -76.8 | 81 | 172.8 | -170 | 0 | 0 | 0 | 0 | 108.5 | G17 A21 | G17-S19 PolarHBondContact O-N 3.37Å; S19-A21 VanDerWaalsContact C-N 3.32Å; S19-A21 PolarHBondContact O-N 2.93Å | ||
| 20 | T | 55.4 | Low | 54.8 | Low | 102 Ų | 102 | 134.9 Ų | 134.9 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | -65.8 | 98.5 | 164.3 | 59.2 | 0 | 0 | 0 | 0 | 106.9 | S18 F22 | S18-T20 PolarHBondContact O-N 3.19Å; T20-F22 PolarHBondContact O-N 3.31Å; T20-F22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | A | 48.3 | Very low | 55.1 | Low | 78 Ų | 78 | 132.8 Ų | 132.8 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | -55.6 | 120.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S19 S23 | S19-A21 VanDerWaalsContact C-N 3.32Å; S19-A21 PolarHBondContact O-N 2.93Å; A21-S23 PolarHBondContact O-N 3.08Å | ||
| 22 | F | 49.1 | Very low | 55.4 | Low | 196 Ų | 196 | 130.7 Ų | 130.7 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -68.8 | 86 | 167.8 | -86 | -90.5 | 0 | 0 | 0 | 108.1 | T20 I24 | T20-F22 PolarHBondContact O-N 3.31Å; T20-F22 VanDerWaalsContact O-N 3.1Å; F22-I24 PolarHBondContact O-N 3.09Å; F22-I24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | S | 53.3 | Low | 56.1 | Low | 80 Ų | 80 | 130.8 Ų | 130.8 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | trans | -61.2 | 113.6 | 170.2 | -69.4 | 0 | 0 | 0 | 0 | 108.9 | A21 D25 S26 | A21-S23 PolarHBondContact O-N 3.08Å; S23-D25 PolarHBondContact O-N 3.18Å; S23-S26 PolarHBondContact O-N 3.1Å | ||
| 24 | I | 55.2 | Low | 56.2 | Low | 136 Ų | 136 | 127 Ų | 127 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -59.7 | -19.3 | 177.4 | -51.2 | 175.7 | 0 | 0 | 0 | 111.1 | F22 S26 L27 | F22-I24 PolarHBondContact O-N 3.09Å; F22-I24 VanDerWaalsContact O-N 3.15Å; I24-S26 PolarHBondContact O-N 3.22Å; I24-S26 VanDerWaalsContact O-N 3.13Å; I24-L27 PolarHBondContact O-N 2.84Å |
| 25 | D | 56.2 | Low | 56.3 | Low | 143 Ų | 143 | 120.8 Ų | 120.8 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -53.3 | -24.8 | 175.2 | -147.2 | -119.6 | 0 | 0 | 0 | 114.6 | S23 | S23-D25 PolarHBondContact O-N 3.18Š|
| 26 | S | 57.3 | Low | 56.6 | Low | 112 Ų | 112 | 121.6 Ų | 121.6 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -83.8 | -5.1 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 114.9 | S23 I24 | S23-S26 PolarHBondContact O-N 3.1Å; I24-S26 PolarHBondContact O-N 3.22Å; I24-S26 VanDerWaalsContact O-N 3.13Å |
| 27 | L | 58.2 | Low | 56.5 | Low | 161 Ų | 161 | 114.9 Ų | 114.9 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -101.8 | -10.1 | 179.2 | -130 | 88 | 0 | 0 | 0 | 114.1 | I24 | I24-L27 PolarHBondContact O-N 2.84Š|
| 28 | I | 59.7 | Low | 57.1 | Low | 130 Ų | 130 | 120.1 Ų | 120.1 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -117 | 106.9 | 178.3 | -61.6 | 172.7 | 0 | 0 | 0 | 106.2 | ||
| 29 | G | 58.7 | Low | 57 | Low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 140.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 30 | S | 62.7 | Low | 57.3 | Low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 130.8 | -176.1 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 31 | P | 63.9 | Low | 57.3 | Low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.6 | -178.9 | 25 | -33.6 | 0 | 0 | 0 | 110.2 | Q33 | P31-Q33 PolarHBondContact O-N 3.05Š|
| 32 | P | 62.5 | Low | 57.9 | Low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -62 | 138.5 | -179.2 | 25.4 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 33 | Q | 66.6 | Low | 58 | Low | 176 Ų | 176 | 122.5 Ų | 122.5 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 137.8 | 176.8 | -72 | -76.4 | 16.7 | 0 | 0 | 110.6 | P31 S35 | P31-Q33 PolarHBondContact O-N 3.05Å; Q33-S35 PolarHBondContact O-N 3.36Å; Q33-S35 VanDerWaalsContact O-N 3.13Å |
| 34 | P | 56.4 | Low | 58.2 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.7 | 175.5 | 27.2 | -32.7 | 0 | 0 | 0 | 109.6 | ||
| 35 | S | 57.5 | Low | 58.6 | Low | 100 Ų | 100 | 126.4 Ų | 126.4 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 141.9 | 169.6 | -178.3 | 0 | 0 | 0 | 0 | 110 | Q33 G37 | Q33-S35 PolarHBondContact O-N 3.36Å; Q33-S35 VanDerWaalsContact O-N 3.13Å; S35-G37 PolarHBondContact O-N 2.94Å |
| 36 | P | 59.9 | Low | 58.9 | Low | 140 Ų | 140 | 127.7 Ų | 127.7 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | trans | -69.1 | 55.8 | 170.4 | -17 | 32.1 | 0 | 0 | 0 | 112.7 | ||||
| 37 | G | 54.4 | Low | 59.2 | Low | 45 Ų | 45 | 131.6 Ų | 131.6 | 46% | 0.464 | 73% | 0.732 | S | S | . | * | trans | -93.5 | 132.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S35 F39 | S35-G37 PolarHBondContact O-N 2.94Å; G37-F39 PolarHBondContact O-N 3.36Å | ||
| 38 | H | 58.7 | Low | 59.6 | Low | 174 Ų | 174 | 130.9 Ų | 130.9 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | -60.4 | 106.8 | 176.1 | -175.4 | 84 | 0 | 0 | 0 | 110.4 | V40 | H38-V40 PolarHBondContact O-N 2.93Š| ||
| 39 | F | 53.1 | Low | 59.8 | Low | 187 Ų | 187 | 129.7 Ų | 129.7 | 82% | 0.82 | 73% | 0.727 | S | S | * | * | trans | -64.9 | 96.4 | 172.9 | -93.3 | -93.8 | 0 | 0 | 0 | 109.5 | G37 Y41 | G37-F39 PolarHBondContact O-N 3.36Å; F39-Y41 PolarHBondContact O-N 2.92Å | ||
| 40 | V | 56.9 | Low | 59.7 | Low | 114 Ų | 114 | 137.5 Ų | 137.5 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -65.1 | 90.3 | 160.2 | -88.1 | 0 | 0 | 0 | 0 | 108.5 | H38 T42 | H38-V40 PolarHBondContact O-N 2.93Å; V40-T42 PolarHBondContact O-N 3.26Å | ||
| 41 | Y | 55.5 | Low | 59.9 | Low | 194 Ų | 194 | 143 Ų | 143 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | -63.9 | 95.9 | 172.8 | 175.6 | -100.7 | 0 | 0 | 0 | 109.2 | F39 G43 | F39-Y41 PolarHBondContact O-N 2.92Å; Y41-G43 WeakPolarHBondContact CE1-O 3.48Å; Y41-G43 PolarHBondContact O-N 2.94Å; Y41-G43 VanDerWaalsContact O-N 3.1Å | ||
| 42 | T | 60.5 | Low | 59.8 | Low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | trans | -77.2 | 22 | 171.5 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | V40 Y44 | V40-T42 PolarHBondContact O-N 3.26Å; T42-Y44 PolarHBondContact O-N 3.39Å; T42-Y44 VanDerWaalsContact O-N 3.1Å | ||
| 43 | G | 50.8 | Low | 59.8 | Low | 27 Ų | 27 | 142.9 Ų | 142.9 | 28% | 0.278 | 74% | 0.736 | S | S | . | * | trans | -73.4 | 101.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y41 P45 | Y41-G43 WeakPolarHBondContact CE1-O 3.48Å; Y41-G43 PolarHBondContact O-N 2.94Å; Y41-G43 VanDerWaalsContact O-N 3.1Å; G43-P45 WeakPolarHBondContact O-CD 3.4Å; G43-P45 VanDerWaalsContact O-N 3.13Å | ||
| 44 | Y | 58.3 | Low | 59.9 | Low | 208 Ų | 208 | 140.8 Ų | 140.8 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | -47.6 | 118.6 | 167.9 | -80.4 | -97.6 | 0 | 0 | 0 | 109.8 | T42 M46 | T42-Y44 PolarHBondContact O-N 3.39Å; T42-Y44 VanDerWaalsContact O-N 3.1Å; Y44-M46 PolarHBondContact O-N 3.12Å | ||
| 45 | P | 62.6 | Low | 60.5 | Low | 90 Ų | 90 | 142.2 Ų | 142.2 | 58% | 0.584 | 74% | 0.736 | S | S | * | * | trans | -69 | 102.6 | 171.9 | 27.8 | -31.8 | 0 | 0 | 0 | 107.8 | G43 F47 M48 | G43-P45 WeakPolarHBondContact O-CD 3.4Å; G43-P45 VanDerWaalsContact O-N 3.13Å; P45-F47 PolarHBondContact O-N 3.48Å; P45-M48 HydrophobicContact CG-CG 4.5Å | ||
| 46 | M | 63.4 | Low | 61.3 | Low | 170 Ų | 170 | 142.5 Ų | 142.5 | 84% | 0.837 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -68.7 | 37.5 | 176 | -82.2 | -71.1 | -63.3 | 0 | 0 | 113.2 | Y44 | Y44-M46 PolarHBondContact O-N 3.12Š|
| 47 | F | 63.2 | Low | 62.1 | Low | 193 Ų | 193 | 141.4 Ų | 141.4 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | -166 | 76 | 164.3 | -103 | -70.8 | 0 | 0 | 0 | 109 | P45 P49 | P45-F47 PolarHBondContact O-N 3.48Å; F47-P49 WeakPolarHBondContact O-CD 3.37Å | ||
| 48 | M | 65.8 | Low | 62.9 | Low | 146 Ų | 146 | 144.8 Ų | 144.8 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | trans | -77.6 | 117 | 157.5 | -80.8 | -100.4 | 79.5 | 0 | 0 | 107.7 | P45 Y50 | P45-M48 HydrophobicContact CG-CG 4.5Å; M48-Y50 PolarHBondContact O-N 3Å | ||
| 49 | P | 64.9 | Low | 63.7 | Low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -63 | 133 | 166.9 | 27.2 | -32.9 | 0 | 0 | 0 | 108.5 | F47 R51 | F47-P49 WeakPolarHBondContact O-CD 3.37Å; P49-R51 PolarHBondContact O-N 3.32Å | ||
| 50 | Y | 56.8 | Low | 64.9 | Low | 234 Ų | 234 | 138.7 Ų | 138.7 | 92% | 0.918 | 74% | 0.737 | S | S | * | * | trans | -54.6 | 108.3 | -176.7 | -67.7 | -89 | 0 | 0 | 0 | 111.1 | M48 P52 | M48-Y50 PolarHBondContact O-N 3Å; Y50-P52 WeakPolarHBondContact O-CD 3.29Å | ||
| 51 | R | 66.6 | Low | 65.7 | Low | 230 Ų | 230 | 138.8 Ų | 138.8 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | trans | -71.1 | 123.5 | 158.6 | -100.5 | -166 | 174.7 | -167.3 | -0.1 | 107.1 | P49 V53 | P49-R51 PolarHBondContact O-N 3.32Å; R51-V53 PolarHBondContact O-N 3.4Å; R51-V53 VanDerWaalsContact O-N 3.12Å | ||
| 52 | P | 61.4 | Low | 66.5 | Low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | -63.3 | 117.5 | 168.8 | 26.5 | -31.9 | 0 | 0 | 0 | 108.1 | Y50 V54 | Y50-P52 WeakPolarHBondContact O-CD 3.29Å; P52-V54 PolarHBondContact O-N 3.08Å; P52-V54 VanDerWaalsContact O-N 3.11Å | ||
| 53 | V | 62.2 | Low | 67.1 | Low | 121 Ų | 121 | 135.1 Ų | 135.1 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -74.8 | 101.6 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 106.7 | R51 L55 | R51-V53 PolarHBondContact O-N 3.4Å; R51-V53 VanDerWaalsContact O-N 3.12Å; V53-L55 VanDerWaalsContact C-N 3.33Å; V53-L55 HydrophobicContact CG1-CD1 3.98Å; V53-L55 PolarHBondContact O-N 2.93Å | ||
| 54 | V | 69.7 | Low | 67.4 | Low | 132 Ų | 132 | 138.5 Ų | 138.5 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -68.1 | 97.8 | 165.1 | 177.3 | 0 | 0 | 0 | 0 | 106.7 | P52 | P52-V54 PolarHBondContact O-N 3.08Å; P52-V54 VanDerWaalsContact O-N 3.11Å | ||
| 55 | L | 69.2 | Low | 67.5 | Low | 137 Ų | 137 | 136.4 Ų | 136.4 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131.8 | 168.1 | -111 | 77.8 | 0 | 0 | 0 | 108.2 | V53 | V53-L55 VanDerWaalsContact C-N 3.33Å; V53-L55 HydrophobicContact CG1-CD1 3.98Å; V53-L55 PolarHBondContact O-N 2.93Å |
| 56 | P | 74.5 | Confident | 67.3 | Low | 107 Ų | 107 | 137.9 Ų | 137.9 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 144.4 | 166.3 | 28 | -32.9 | 0 | 0 | 0 | 109.4 | ||
| 57 | P | 74.7 | Confident | 66.7 | Low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.3 | 179.8 | 26.9 | -34.6 | 0 | 0 | 0 | 111.4 | ||
| 58 | P | 72.8 | Confident | 65.8 | Low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 150.1 | 179.1 | 27.6 | -35 | 0 | 0 | 0 | 111.5 | ||
| 59 | P | 74.7 | Confident | 64.9 | Low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 149 | 177.1 | 28.1 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 60 | P | 77.9 | Confident | 63.9 | Low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67 | 151.4 | -179.3 | 28.4 | -35.3 | 0 | 0 | 0 | 112.1 | ||
| 61 | P | 74.1 | Confident | 63.6 | Low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 151 | 176.7 | 28.5 | -35 | 0 | 0 | 0 | 111.7 | ||
| 62 | P | 72.2 | Confident | 62.9 | Low | 118 Ų | 118 | 127.8 Ų | 127.8 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66 | 149.7 | 179 | 28.2 | -35 | 0 | 0 | 0 | 111.8 | A64 | P62-A64 PolarHBondContact O-N 2.71Š|
| 63 | P | 72.6 | Confident | 61.7 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67 | 133.7 | -179 | 27.5 | -34.5 | 0 | 0 | 0 | 111.6 | L65 | P63-L65 PolarHBondContact O-N 2.73Š|
| 64 | A | 58.7 | Low | 60.8 | Low | 99 Ų | 99 | 128.5 Ų | 128.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 129.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P62 | P62-A64 PolarHBondContact O-N 2.71Š|
| 65 | L | 60 | Low | 60.4 | Low | 163 Ų | 163 | 127.7 Ų | 127.7 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 134.3 | 172.5 | -67 | 172.7 | 0 | 0 | 0 | 109.8 | P63 Q67 | P63-L65 PolarHBondContact O-N 2.73Å; L65-Q67 PolarHBondContact O-N 3.4Å |
| 66 | P | 58.7 | Low | 59.8 | Low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 122.5 | -176.8 | 28 | -33.6 | 0 | 0 | 0 | 111.4 | A68 | P66-A68 PolarHBondContact O-N 2.62Š|
| 67 | Q | 50.9 | Low | 58 | Low | 199 Ų | 199 | 126.4 Ų | 126.4 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -68.3 | 111.9 | 167.5 | -80.3 | -173.9 | -28.2 | 0 | 0 | 109.9 | L65 A69 | L65-Q67 PolarHBondContact O-N 3.4Å; Q67-A69 PolarHBondContact O-N 2.89Å | ||
| 68 | A | 44 | Very low | 56.5 | Low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -73.7 | 117.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P66 | P66-A68 PolarHBondContact O-N 2.62Š| ||
| 69 | A | 46.3 | Very low | 55.6 | Low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 5.3 | 117.1 | 156 | 0 | 0 | 0 | 0 | 0 | 119.4 | Q67 | Q67-A69 PolarHBondContact O-N 2.89Š| ||
| 70 | L | 43.8 | Very low | 53.9 | Low | 175 Ų | 175 | 130.7 Ų | 130.7 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -138.1 | 105.9 | 136.2 | -75.4 | -178.5 | 0 | 0 | 0 | 109.4 | ||||
| 71 | Q | 50.1 | Low | 52.5 | Low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -84.9 | 166.2 | 155.6 | -66.5 | -164 | 16.7 | 0 | 0 | 109 | ||||
| 72 | P | 52.3 | Low | 51.1 | Low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | -145.3 | 139 | 106.3 | 33.7 | -17.7 | 0 | 0 | 0 | 116.6 | |||||
| 73 | A | 37.4 | Very low | 50 | Low | 93 Ų | 93 | 135.2 Ų | 135.2 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 60.4 | 123.4 | 133.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 74 | L | 41.6 | Very low | 49.1 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -116.8 | 148 | 166.5 | -150 | 167.7 | 0 | 0 | 0 | 107.3 | ||||
| 75 | P | 61.5 | Low | 48.5 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -124.5 | 147.2 | 153.7 | 35.4 | -25.8 | 0 | 0 | 0 | 113.5 | ||||
| 76 | P | 56.1 | Low | 48 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -105 | 162.7 | -161.9 | 40 | -35.5 | 0 | 0 | 0 | 115.1 | ||||
| 77 | A | 37.4 | Very low | 47.9 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -142.6 | 130.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 78 | H | 44.3 | Very low | 48 | Very low | 175 Ų | 175 | 131 Ų | 131 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -101.7 | -173.5 | 177.8 | -80.1 | -84.8 | 0 | 0 | 0 | 110.1 | ||||
| 79 | P | 52.1 | Low | 48.1 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -134.3 | 166.9 | -43.3 | 34 | -18.2 | 0 | 0 | 0 | 113.4 | ||||
| 80 | H | 40.4 | Very low | 48 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | trans | -172.6 | 127.1 | 135.5 | -112.4 | -147 | 0 | 0 | 0 | 113 | ||||
| 81 | H | 48.5 | Very low | 48 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | 36.4 | 150.7 | 154.6 | -51.9 | -57.5 | 0 | 0 | 0 | 124 | ||||
| 82 | Q | 43.2 | Very low | 47.7 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | cis | -171.1 | 155 | -32 | -152.2 | -172.5 | 89.6 | 0 | 0 | 108.9 | ||||
| 83 | I | 51.1 | Low | 47.1 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | 67.8 | 154.8 | 162.5 | 28.5 | -179.4 | 0 | 0 | 0 | 119.9 | ||||
| 84 | P | 53.5 | Low | 47.6 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | -142.9 | -169.5 | -122 | 44.3 | -23 | 0 | 0 | 0 | 117.8 | |||||
| 85 | S | 44.6 | Very low | 47.6 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 74.2 | 124.4 | 161.4 | 78 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 86 | L | 50.3 | Low | 46.7 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | cis | -149.8 | 179.7 | 49.1 | -92.8 | 168.9 | 0 | 0 | 0 | 111.1 | ||||
| 87 | P | 56.6 | Low | 45.9 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | -93.7 | 156.2 | -135.3 | 34.2 | -35.5 | 0 | 0 | 0 | 117.7 | ||||
| 88 | T | 52.7 | Low | 46.3 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | 53.5 | 108.7 | 154.6 | 54.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 89 | G | 47 | Very low | 46.2 | Very low | 61 Ų | 61 | 128.3 Ų | 128.3 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | cis | 116.8 | 79.5 | 44.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 90 | F | 42.9 | Very low | 46.2 | Very low | 193 Ų | 193 | 132.1 Ų | 132.1 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | 55.6 | 114.8 | 95.7 | -76.3 | -86.1 | 0 | 0 | 0 | 112.6 | |||||
| 91 | C | 44.1 | Very low | 46.6 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | 61.8 | 139.1 | 86.2 | -70.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 92 | S | 44.3 | Very low | 46.2 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -164 | 167.7 | -2.6 | -88.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 93 | S | 40 | Very low | 46.3 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -133.1 | 140.6 | 149.4 | -165.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 94 | L | 46.4 | Very low | 46.1 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -127.8 | 116.6 | -165 | 170.2 | 78.6 | 0 | 0 | 0 | 109.2 | ||||
| 95 | A | 43.5 | Very low | 45.7 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -164 | 103.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 96 | Q | 41.3 | Very low | 45.4 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | 86 | 118 | 74.7 | -81.5 | -175.1 | -7.5 | 0 | 0 | 114.2 | |||||
| 97 | G | 40 | Very low | 44.9 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 95 | 130.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 98 | M | 45.5 | Very low | 44.5 | Very low | 194 Ų | 194 | 133 Ų | 133 | 96% | 0.956 | 81% | 0.809 | S | S | * | * | cis | -144.3 | 150.8 | -4.7 | -89.7 | -82.7 | 176.7 | 0 | 0 | 108.3 | ||||
| 99 | A | 41.2 | Very low | 44.3 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | -84.2 | 146.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 100 | L | 52.1 | Low | 43.6 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -134.8 | 116.3 | 141.4 | -75 | -177.4 | 0 | 0 | 0 | 109.2 | ||||
| 101 | T | 50 | Low | 43.5 | Very low | 126 Ų | 126 | 127 Ų | 127 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -88.6 | 134.6 | 178.6 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 102 | S | 39.3 | Very low | 43 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -157.9 | 101.4 | 144.9 | -85.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 103 | T | 45.4 | Very low | 42.7 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 72% | 0.718 | 82% | 0.818 | S | S | * | * | trans | -64.5 | 133.4 | 165.2 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | M105 | T103-M105 HydrophobicContact CG2-CG 3.74Š| ||
| 104 | L | 48 | Very low | 42.4 | Very low | 177 Ų | 177 | 131 Ų | 131 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | trans | -125.8 | 115.6 | 155.2 | -81.8 | 174.6 | 0 | 0 | 0 | 110.2 | ||||
| 105 | M | 43.3 | Very low | 41.8 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | trans | -97.3 | 134.9 | 173.5 | -63.4 | -94.2 | -116.6 | 0 | 0 | 108.9 | T103 | T103-M105 HydrophobicContact CG2-CG 3.74Š| ||
| 106 | A | 38.9 | Very low | 42.2 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 174.2 | 92.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 107 | T | 40.8 | Very low | 41.8 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | 66.5 | 112.5 | 87.2 | -150.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 108 | L | 48.4 | Very low | 41.6 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -79 | 161.5 | 157.9 | -68 | 162.6 | 0 | 0 | 0 | 109.1 | ||||
| 109 | P | 47.2 | Very low | 41.2 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -131.6 | 150.8 | 102.4 | 15.3 | 5.5 | 0 | 0 | 0 | 111.8 | |||||
| 110 | G | 33.7 | Very low | 40.8 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | 70.9 | 109.8 | 82.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 111 | G | 40.7 | Very low | 40 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | 97.8 | 97.3 | 29.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 112 | F | 32.2 | Very low | 39.3 | Very low | 220 Ų | 220 | 127.9 Ų | 127.9 | 97% | 0.965 | 79% | 0.785 | S | S | * | * | trans | -157 | 152.7 | 163.6 | -121.5 | -81.6 | 0 | 0 | 0 | 112.4 | ||||
| 113 | S | 38.3 | Very low | 39.2 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -122.4 | 140.4 | -177.4 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 114 | A | 33.7 | Very low | 38.6 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -170.8 | 142.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 115 | S | 34.4 | Very low | 38.3 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -131.5 | 174.3 | 152.4 | -159.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 116 | P | 51.7 | Low | 38 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | cis | -141.4 | -161.9 | 6.8 | 39.3 | -16.2 | 0 | 0 | 0 | 115.2 | ||||
| 117 | Q | 33.9 | Very low | 37.7 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 70.6 | 154.3 | 164 | -66.3 | -174.3 | -33.5 | 0 | 0 | 117.4 | ||||
| 118 | H | 34.6 | Very low | 37.5 | Very low | 146 Ų | 146 | 130 Ų | 130 | 68% | 0.676 | 77% | 0.772 | S | S | * | * | cis | -153.9 | 144.3 | 7.5 | -143.1 | -132 | 0 | 0 | 0 | 111.6 | ||||
| 119 | Q | 37 | Very low | 37.5 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | 61 | 128.2 | 127.3 | -161.7 | 78.1 | 23.8 | 0 | 0 | 124.6 | |||||
| 120 | E | 32.2 | Very low | 37 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | 140.7 | 127.4 | 122.6 | -160.2 | 72.1 | 156.4 | 0 | 0 | 117.6 | |||||
| 121 | A | 36.9 | Very low | 37.8 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | 55.8 | 153.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 122 | A | 35.5 | Very low | 37.6 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | cis | -170.7 | 177.1 | -22.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 123 | A | 35.6 | Very low | 38.2 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | 86.5 | 67.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 124 | A | 34.6 | Very low | 37.8 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | 2.4 | 142.5 | 135.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 125 | R | 40.5 | Very low | 37.6 | Very low | 231 Ų | 231 | 129.5 Ų | 129.5 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | -163.1 | 108.9 | 128.5 | -103.7 | 162.2 | 174.8 | -170.4 | -4.1 | 108.9 | |||||
| 126 | K | 36.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 128 Ų | 128 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | 62.9 | 125.6 | 80.7 | -61.9 | 167.6 | -172.8 | -82 | 0 | 111.5 | |||||
| 127 | F | 34.4 | Very low | 36.6 | Very low | 192 Ų | 192 | 130.3 Ų | 130.3 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | cis | -142.5 | 143.1 | 18.9 | -85.7 | -97.3 | 0 | 0 | 0 | 109.9 | ||||
| 128 | A | 35.2 | Very low | 36.5 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | 74.7 | 123.5 | 77 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 129 | P | 49.2 | Very low | 36.6 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -116.1 | -177.1 | 179.8 | 40.7 | -31.5 | 0 | 0 | 0 | 116.2 | ||||
| 130 | Q | 37.1 | Very low | 36.4 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 95.6 | 164.5 | 169.7 | -55.5 | -74.6 | 43.8 | 0 | 0 | 117.6 | ||||
| 131 | P | 50.4 | Low | 36.5 | Very low | 97 Ų | 97 | 129 Ų | 129 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | -142.5 | 158.5 | -55.6 | 40.8 | -25 | 0 | 0 | 0 | 116.8 | |||||
| 132 | L | 35 | Very low | 36.4 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | 57 | 175.2 | 155.2 | -66.9 | 176.9 | 0 | 0 | 0 | 119.5 | ||||
| 133 | P | 45.7 | Very low | 36.5 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | cis | -128.3 | 174.4 | -27.9 | 36 | -19.3 | 0 | 0 | 0 | 115.1 | ||||
| 134 | G | 30.4 | Very low | 36.5 | Very low | 78 Ų | 78 | 135.5 Ų | 135.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 106.6 | 123.8 | 135.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 135 | G | 29.7 | Very low | 36.7 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | 76.3 | 138.2 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 136 | G | 30.4 | Very low | 36.6 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | 149.2 | 95 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 137 | N | 33.5 | Very low | 36.4 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -71 | -179 | 178.3 | -112.8 | 55.8 | 0 | 0 | 0 | 116 | ||||
| 138 | F | 32.3 | Very low | 37 | Very low | 182 Ų | 182 | 125.8 Ų | 125.8 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 76.8 | 146.4 | 162.6 | -93.1 | -125.6 | 0 | 0 | 0 | 118 | ||||
| 139 | D | 36.2 | Very low | 37.3 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 65% | 0.652 | 78% | 0.775 | S | S | * | * | cis | -175.9 | 150.9 | -24 | -130.5 | -99.3 | 0 | 0 | 0 | 108.8 | ||||
| 140 | K | 32.8 | Very low | 37 | Very low | 202 Ų | 202 | 130.8 Ų | 130.8 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | -164.3 | 133.1 | 142.6 | -156 | 154.1 | -177.9 | 173.5 | 0 | 114.4 | ||||
| 141 | A | 35.5 | Very low | 37 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | trans | -59.1 | 169.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 142 | E | 34.7 | Very low | 36.7 | Very low | 182 Ų | 182 | 128.8 Ų | 128.8 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | -166.7 | 123 | 50.7 | -168.5 | 169.3 | 115.2 | 0 | 0 | 109.2 | |||||
| 143 | A | 36.7 | Very low | 36.6 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 60.9 | 139.9 | 104.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 144 | L | 35.9 | Very low | 35.8 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | cis | -146.2 | 144 | 22.6 | -81.8 | 166.8 | 0 | 0 | 0 | 109.6 | ||||
| 145 | Q | 38.3 | Very low | 36.1 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | 65.8 | 136.9 | 77.2 | -155.3 | 78.4 | 22.2 | 0 | 0 | 113.7 | |||||
| 146 | A | 39.5 | Very low | 36.2 | Very low | 69 Ų | 69 | 131 Ų | 131 | 57% | 0.57 | 75% | 0.752 | S | S | * | * | cis | -159.9 | 165.2 | -24.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 147 | D | 32.1 | Very low | 36.4 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | 178.9 | 134.6 | 95.6 | -125.6 | -139 | 0 | 0 | 0 | 106.7 | |||||
| 148 | A | 46.7 | Very low | 36.3 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 63% | 0.628 | 75% | 0.748 | S | S | * | * | 62.9 | 140.1 | 82.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 149 | E | 40.6 | Very low | 36.4 | Very low | 182 Ų | 182 | 131.5 Ų | 131.5 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | cis | -161.9 | 167.2 | -5 | -106.6 | -79.7 | 90.4 | 0 | 0 | 110 | ||||
| 150 | D | 42.6 | Very low | 36.3 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | trans | 1.9 | 144.9 | 168.1 | -161.8 | -113.2 | 0 | 0 | 0 | 124.4 | K152 | D150-K152 IonicContact OD1-NZ 2.71Å; D150-K152 PolarHBondContact OD1-NZ 3.39Å | ||
| 151 | G | 38.6 | Very low | 36.4 | Very low | 50 Ų | 50 | 128.2 Ų | 128.2 | 52% | 0.515 | 75% | 0.746 | S | S | . | * | trans | 140.3 | 84.8 | 130.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 152 | K | 43 | Very low | 36.3 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | trans | 35 | 127.5 | 134.7 | 66.9 | -153.8 | 161 | -70 | 0 | 123.5 | D150 | D150-K152 IonicContact OD1-NZ 2.71Å; D150-K152 PolarHBondContact OD1-NZ 3.39Å | ||
| 153 | G | 33 | Very low | 36.4 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | 153 | 94.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 154 | F | 28.8 | Very low | 35.9 | Very low | 192 Ų | 192 | 132.8 Ų | 132.8 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | 69.7 | 116.3 | 83.9 | -160.9 | -115.6 | 0 | 0 | 0 | 116.9 | |||||
| 155 | L | 38.1 | Very low | 35.8 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 79.1 | 136.3 | 162.5 | -82.2 | 179.6 | 0 | 0 | 0 | 123.3 | ||||
| 156 | A | 31.6 | Very low | 35.7 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 72.8 | 152 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 157 | K | 34.4 | Very low | 35.5 | Very low | 184 Ų | 184 | 127.1 Ų | 127.1 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | cis | -169.9 | 136 | -28.7 | 176.5 | 170.5 | 176.3 | 175.6 | 0 | 107 | ||||
| 158 | E | 31.4 | Very low | 35.8 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 32 | 101.2 | 158.6 | -58.1 | -65.4 | 129 | 0 | 0 | 119.4 | ||||
| 159 | G | 34.7 | Very low | 35.3 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | 52.4 | 161.5 | 114.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 160 | S | 34 | Very low | 35.4 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | 81.7 | 135.6 | 172.4 | -142 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 161 | L | 34.4 | Very low | 35.3 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | cis | -167.5 | 176.5 | -5.7 | -122.8 | -179.6 | 0 | 0 | 0 | 109.4 | ||||
| 162 | L | 32.2 | Very low | 35.2 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 73.7 | 134.4 | 167.7 | -41.5 | -175.7 | 0 | 0 | 0 | 116.6 | ||||
| 163 | A | 38.2 | Very low | 34.9 | Very low | 88 Ų | 88 | 126 Ų | 126 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | 99.8 | 117 | 23.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 164 | F | 26.1 | Very low | 35.2 | Very low | 207 Ų | 207 | 129.4 Ų | 129.4 | 91% | 0.908 | 76% | 0.764 | S | S | * | * | trans | 172.3 | 157.2 | 157.4 | -117.4 | -119.5 | 0 | 0 | 0 | 107.3 | ||||
| 165 | S | 33.2 | Very low | 35.5 | Very low | 90 Ų | 90 | 127 Ų | 127 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | cis | -157 | 135.6 | -1.1 | -155.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 166 | A | 35.7 | Very low | 35.2 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | 71.2 | 112.6 | 59.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 167 | A | 36.8 | Very low | 35.6 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -174.7 | 107.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 168 | E | 36.6 | Very low | 35.5 | Very low | 187 Ų | 187 | 123 Ų | 123 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | 68.6 | 141.7 | 86.5 | -109.1 | -176.5 | 104 | 0 | 0 | 114.6 | |||||
| 169 | A | 37.8 | Very low | 35.8 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | cis | -154.7 | 145.3 | 18.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 170 | V | 41.3 | Very low | 35.6 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | 83.8 | 135.9 | 95 | 167.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 171 | Q | 41.4 | Very low | 35.9 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | cis | -155.3 | 154.8 | 22.7 | -145.8 | 162.1 | 79.8 | 0 | 0 | 115.3 | ||||
| 172 | A | 36.5 | Very low | 35.7 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | 52.7 | 126.4 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 173 | S | 37.2 | Very low | 35.8 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | 88.4 | 128.6 | 53.6 | -164.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 174 | L | 38.8 | Very low | 35.5 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | 179.9 | 132.5 | 88.2 | 179.2 | 76.6 | 0 | 0 | 0 | 112.8 | |||||
| 175 | V | 35.1 | Very low | 36.1 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 56.7 | 145 | 150.8 | 176.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 176 | G | 31.4 | Very low | 36.3 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | cis | 176.9 | -179 | -0.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 177 | A | 39.9 | Very low | 36.3 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -94.1 | 147.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 178 | V | 33.5 | Very low | 36.6 | Very low | 151 Ų | 151 | 139 Ų | 139 | 92% | 0.915 | 81% | 0.814 | S | S | * | * | trans | -152.4 | 154.6 | 150.7 | 72.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 179 | R | 36.8 | Very low | 36.8 | Very low | 247 Ų | 247 | 137.1 Ų | 137.1 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | -108.4 | 136.6 | -172.4 | 147.7 | -179.2 | 161.5 | -176.1 | -4.9 | 109.6 | ||||
| 180 | G | 31.4 | Very low | 36.8 | Very low | 81 Ų | 81 | 141.3 Ų | 141.3 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -160.3 | 136.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 181 | Q | 39.2 | Very low | 37.4 | Very low | 207 Ų | 207 | 142.3 Ų | 142.3 | 97% | 0.967 | 82% | 0.818 | S | S | * | * | trans | -100.7 | 142.3 | 176.5 | 175.3 | -168.8 | 62.4 | 0 | 0 | 108.4 | ||||
| 182 | G | 31.2 | Very low | 37.9 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -169.5 | 124.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 183 | K | 33.8 | Very low | 37.9 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -116.3 | 129.9 | 175.7 | 159.9 | -167.9 | 171.6 | -173.6 | 0 | 106.2 | ||||
| 184 | D | 32.4 | Very low | 38 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | -171.7 | -173.7 | 137.6 | -142.8 | -110.5 | 0 | 0 | 0 | 112.9 | ||||
| 185 | E | 38.7 | Very low | 38.1 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 77% | 0.771 | 82% | 0.817 | S | S | * | * | trans | -99.2 | 161.6 | -150.5 | -53.9 | -173.6 | 120.3 | 0 | 0 | 115.9 | ||||
| 186 | S | 37.3 | Very low | 38.3 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -160 | 129.4 | 143.9 | -84.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 187 | K | 35.5 | Very low | 38.7 | Very low | 164 Ų | 164 | 150 Ų | 150 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -105.7 | 136.5 | -173.5 | 161 | -166.3 | 171.9 | 172.9 | 0 | 110.4 | E189 | K187-E189 WeakPolarHBondContact CE-OE2 3.42Å; K187-E189 IonicContact NZ-OE2 2.98Å; K187-E189 PolarHBondContact NZ-OE2 2.93Å | ||
| 188 | V | 42 | Very low | 38.7 | Very low | 147 Ų | 147 | 150 Ų | 150 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -146.1 | 137.5 | 144.9 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 189 | E | 41.6 | Very low | 38.8 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | trans | -97.2 | 151.7 | 179.2 | -63.4 | 166.8 | 69.6 | 0 | 0 | 111.3 | K187 | K187-E189 WeakPolarHBondContact CE-OE2 3.42Å; K187-E189 IonicContact NZ-OE2 2.98Å; K187-E189 PolarHBondContact NZ-OE2 2.93Å | ||
| 190 | D | 38.6 | Very low | 39 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -155.4 | 131.2 | 138.5 | -159.5 | -131.6 | 0 | 0 | 0 | 109.9 | ||||
| 191 | D | 53.9 | Low | 39.6 | Very low | 132 Ų | 132 | 148 Ų | 148 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -109.5 | 147.3 | 177.7 | -167.9 | -107.4 | 0 | 0 | 0 | 105.5 | ||||
| 192 | P | 51.2 | Low | 39.6 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | -162.2 | 174 | 63.3 | 44 | -21 | 0 | 0 | 0 | 122.6 | |||||
| 193 | K | 35.2 | Very low | 40.2 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | 81.9 | 93.5 | 144.1 | -124.9 | 76.8 | 175 | -176.5 | 0 | 117.8 | ||||
| 194 | G | 40.6 | Very low | 40.3 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -68.4 | 148.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 195 | K | 39.7 | Very low | 40.7 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -131.4 | 123 | 158.6 | -80.7 | -173.8 | 175.6 | -179 | 0 | 108.6 | ||||
| 196 | E | 41 | Very low | 40.7 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -77.2 | 123.2 | 167.8 | 60.4 | -151.1 | 109.5 | 0 | 0 | 109.6 | ||||
| 197 | E | 39 | Very low | 40.9 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -107.5 | 91.7 | 172.4 | -65.8 | -158 | 143.8 | 0 | 0 | 109.8 | F199 | E197-F199 HydrophobicContact CB-CD2 4.44Å; E197-F199 PolarHBondContact O-N 3.48Å; E197-F199 VanDerWaalsContact O-N 3.13Å | ||
| 198 | S | 40.4 | Very low | 41.4 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 97.3 | 167.2 | 174.3 | 0 | 0 | 0 | 0 | 109.7 | S200 | S198-S200 PolarHBondContact O-N 3.18Š| ||
| 199 | F | 35.6 | Very low | 42 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -79.9 | 98.9 | 168.9 | -98.2 | -89.1 | 0 | 0 | 0 | 110.8 | E197 | E197-F199 HydrophobicContact CB-CD2 4.44Å; E197-F199 PolarHBondContact O-N 3.48Å; E197-F199 VanDerWaalsContact O-N 3.13Å | ||
| 200 | S | 40.5 | Very low | 42 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -61.4 | 139.4 | 169.5 | -62.7 | 0 | 0 | 0 | 0 | 111 | S198 | S198-S200 PolarHBondContact O-N 3.18Š| ||
| 201 | L | 44.1 | Very low | 42.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | -97.4 | 95.1 | -176.5 | -169.2 | 162 | 0 | 0 | 0 | 108.2 | ||||
| 202 | E | 40 | Very low | 41.5 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -110.1 | 119.7 | 172.8 | -162.5 | 78.1 | 98.8 | 0 | 0 | 108.9 | ||||
| 203 | S | 42 | Very low | 40.8 | Very low | 81 Ų | 81 | 141.8 Ų | 141.8 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | trans | -147 | 83.3 | 175.4 | 64.2 | 0 | 0 | 0 | 0 | 109.8 | V205 | S203-V205 PolarHBondContact O-N 2.7Š| ||
| 204 | D | 37.3 | Very low | 40.9 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -55.2 | 127.1 | 167.9 | -87.9 | -72.8 | 0 | 0 | 0 | 110.9 | ||||
| 205 | V | 41.3 | Very low | 40.6 | Very low | 126 Ų | 126 | 139 Ų | 139 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -125.4 | 88.8 | 177.3 | -78.7 | 0 | 0 | 0 | 0 | 108.9 | S203 Y207 | S203-V205 PolarHBondContact O-N 2.7Å; V205-Y207 PolarHBondContact O-N 3.25Å | ||
| 206 | D | 38.8 | Very low | 40.6 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -72.7 | 93.4 | 170.4 | -164.6 | -93.7 | 0 | 0 | 0 | 109.5 | S208 | D206-S208 PolarHBondContact O-N 3Š| ||
| 207 | Y | 39.8 | Very low | 40.1 | Very low | 207 Ų | 207 | 134.2 Ų | 134.2 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -93.3 | 77.9 | 173.4 | -172.4 | -91.7 | 0 | 0 | 0 | 108.8 | V205 | V205-Y207 PolarHBondContact O-N 3.25Š| ||
| 208 | S | 47.9 | Very low | 40 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -78.1 | 124.8 | 172.9 | -171.1 | 0 | 0 | 0 | 0 | 111 | D206 | D206-S208 PolarHBondContact O-N 3Š| ||
| 209 | S | 53.3 | Low | 39.7 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | trans | -154.6 | 103.7 | 178.6 | 169.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 210 | D | 41.1 | Very low | 39.9 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -159.7 | 159.4 | 137.5 | -133.9 | 163.4 | 0 | 0 | 0 | 115.8 | ||||
| 211 | D | 42.1 | Very low | 39.8 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 65% | 0.652 | 76% | 0.764 | S | S | * | * | trans | 60.5 | 103.9 | 152.8 | -88.2 | -44.3 | 0 | 0 | 0 | 124 | ||||
| 212 | N | 40.8 | Very low | 39.5 | Very low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | 60.3 | 113.3 | 105.4 | -171.2 | 7.6 | 0 | 0 | 0 | 121.2 | |||||
| 213 | L | 35.7 | Very low | 40 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -150.6 | 146.6 | 134.5 | -144.2 | 69.1 | 0 | 0 | 0 | 114 | ||||
| 214 | T | 37.6 | Very low | 40.7 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -81.1 | 146.3 | -176.4 | -75.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 215 | G | 35.1 | Very low | 40.5 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | -158 | 132.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 216 | Q | 38.2 | Very low | 40.2 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -100.9 | 167.4 | -165 | -61.5 | 171.7 | 15.1 | 0 | 0 | 114.6 | ||||
| 217 | A | 32.4 | Very low | 40.2 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | 107.1 | 113.1 | 134.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 218 | A | 36.8 | Very low | 40.6 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 89.3 | 120.6 | 122.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 219 | H | 34.3 | Very low | 40.2 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | 55.4 | 123.2 | 140.8 | -79.1 | -94.2 | 0 | 0 | 0 | 121.3 | ||||
| 220 | K | 38.3 | Very low | 39.3 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | -166.5 | 141 | 84.8 | -166.3 | 159.7 | -179.4 | 179.5 | 0 | 112.3 | |||||
| 221 | E | 39.4 | Very low | 39.2 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -92 | 158.2 | 170.7 | -57.2 | -178 | 127.1 | 0 | 0 | 110.8 | ||||
| 222 | E | 37.7 | Very low | 40.5 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -174.6 | 159.9 | 133 | -79.8 | -139.8 | 107.8 | 0 | 0 | 110.4 | ||||
| 223 | D | 50.1 | Low | 41.4 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -145.7 | -152.3 | -174.2 | -151.7 | 25.4 | 0 | 0 | 0 | 107 | ||||
| 224 | P | 55.9 | Low | 41.4 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -134.4 | 145.9 | -7 | 40.7 | -22.1 | 0 | 0 | 0 | 118.5 | ||||
| 225 | G | 33.4 | Very low | 41.4 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 76.9 | 144.6 | 132 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 226 | H | 35.9 | Very low | 41.4 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -151.8 | 126.3 | 134.3 | -159.1 | -87.7 | 0 | 0 | 0 | 110.4 | ||||
| 227 | A | 37.7 | Very low | 41.3 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -123.3 | 142.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 228 | L | 48 | Very low | 41.7 | Very low | 165 Ų | 165 | 131 Ų | 131 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -143.9 | 136.6 | 154.9 | -75.7 | -178.6 | 0 | 0 | 0 | 108.4 | ||||
| 229 | E | 40.4 | Very low | 41.7 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | -135.7 | 136.7 | -179.5 | -168.3 | -81.8 | 128.8 | 0 | 0 | 107.1 | T231 | E229-T231 PolarHBondContact OE1-OG1 3.31Å; E229-T231 VanDerWaalsContact OE1-OG1 3.07Å | ||
| 230 | E | 33.4 | Very low | 42 | Very low | 179 Ų | 179 | 126.8 Ų | 126.8 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -164.3 | 151 | 147.2 | -139.5 | -164.1 | 102.7 | 0 | 0 | 110.8 | ||||
| 231 | T | 40.1 | Very low | 42.3 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | -153.4 | -174.6 | -171.9 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | E229 | E229-T231 PolarHBondContact OE1-OG1 3.31Å; E229-T231 VanDerWaalsContact OE1-OG1 3.07Å | ||
| 232 | P | 70.1 | Confident | 42.7 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -121.3 | -45.6 | -15.4 | 17.1 | -1.2 | 0 | 0 | 0 | 124.2 | ||||
| 233 | P | 58.2 | Low | 43.2 | Very low | 112 Ų | 112 | 117.6 Ų | 117.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -126.2 | 137 | -111.5 | 33.1 | -16.3 | 0 | 0 | 0 | 118.8 | |||||
| 234 | S | 37.4 | Very low | 43.2 | Very low | 116 Ų | 116 | 117.6 Ų | 117.6 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | 164.4 | 141.4 | 107.9 | -169.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 235 | S | 36.8 | Very low | 43.1 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | 66.2 | 131.3 | 164.2 | -134.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 236 | G | 34 | Very low | 44.1 | Very low | 68 Ų | 68 | 121.2 Ų | 121.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | 174.7 | 177.4 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 237 | A | 36.4 | Very low | 45 | Very low | 102 Ų | 102 | 121 Ų | 121 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 79.8 | 91.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 238 | A | 42.5 | Very low | 46.5 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | 52.4 | 122.9 | 123.5 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 239 | G | 36.8 | Very low | 47.9 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 167.2 | 27.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118 | T241 | G239-T241 PolarHBondContact O-N 2.91Å; G239-T241 VanDerWaalsContact O-N 3.08Å | ||
| 240 | S | 39.1 | Very low | 49.8 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 95.2 | -175.2 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | T242 | S240-T242 PolarHBondContact O-N 3.46Š| ||
| 241 | T | 44.9 | Very low | 52.5 | Low | 131 Ų | 131 | 134.5 Ų | 134.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -92.2 | 88.4 | 160 | 57 | 0 | 0 | 0 | 0 | 109.9 | G239 S243 | G239-T241 PolarHBondContact O-N 2.91Å; G239-T241 VanDerWaalsContact O-N 3.08Å; T241-S243 PolarHBondContact O-N 3.3Å | ||
| 242 | T | 47.9 | Very low | 54.8 | Low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -72.6 | 82.1 | 177.6 | 42.2 | 0 | 0 | 0 | 0 | 111.6 | S240 T244 | S240-T242 PolarHBondContact O-N 3.46Å; T242-T244 PolarHBondContact O-N 3.03Å; T242-T244 VanDerWaalsContact O-N 3.16Å | ||
| 243 | S | 48.4 | Very low | 55.9 | Low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -84.7 | 78.7 | 169.4 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | T241 G245 | T241-S243 PolarHBondContact O-N 3.3Å; S243-G245 PolarHBondContact O-N 3.04Å | ||
| 244 | T | 50.8 | Low | 57.8 | Low | 148 Ų | 148 | 131.4 Ų | 131.4 | 91% | 0.908 | 77% | 0.77 | S | S | * | * | trans | -62.8 | 94 | 165.8 | 33.6 | 0 | 0 | 0 | 0 | 109.5 | T242 | T242-T244 PolarHBondContact O-N 3.03Å; T242-T244 VanDerWaalsContact O-N 3.16Å | ||
| 245 | G | 52.4 | Low | 60.7 | Low | 55 Ų | 55 | 129.3 Ų | 129.3 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | trans | -158.1 | 43.9 | -158.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | S243 | S243-G245 PolarHBondContact O-N 3.04Š| ||
| 246 | K | 54.1 | Low | 63.5 | Low | 203 Ų | 203 | 127.6 Ų | 127.6 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | 71.4 | 129 | 172.5 | -56.3 | 142.3 | -176.9 | 174.8 | 0 | 114.4 | R248 | K246-R248 PolarHBondContact O-N 2.69Š| ||
| 247 | N | 54.7 | Low | 66.6 | Low | 167 Ų | 167 | 131.6 Ų | 131.6 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -70.1 | 73.9 | 178.1 | -168.3 | 22.2 | 0 | 0 | 0 | 111.5 | R249 | N247-R249 PolarHBondContact O-N 3.5Š| ||
| 248 | R | 69.9 | Low | 69.5 | Low | 179 Ų | 179 | 128.2 Ų | 128.2 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | trans | -65.1 | 105.9 | 178.3 | 173.1 | 176 | 153.3 | -178.3 | -11.5 | 108.6 | K246 R250 | K246-R248 PolarHBondContact O-N 2.69Å; R248-R250 PolarHBondContact O-N 2.84Å; R248-R250 VanDerWaalsContact O-N 3.16Å | ||
| 249 | R | 77.8 | Confident | 72.2 | Confident | 233 Ų | 233 | 126 Ų | 126 | 88% | 0.879 | 68% | 0.68 | S | S | * | * | trans | -38 | 121.8 | 174.1 | -111.8 | 179.7 | -178.9 | 165.5 | 1.4 | 110.1 | N247 R251 | N247-R249 PolarHBondContact O-N 3.5Å; R249-R251 PolarHBondContact O-N 3.41Å | ||
| 250 | R | 81 | Confident | 75.1 | Confident | 241 Ų | 241 | 128.4 Ų | 128.4 | 91% | 0.909 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 128.9 | 176.1 | -71.9 | -176.5 | 178.5 | -103.3 | 2.1 | 108 | R248 T252 | R248-R250 PolarHBondContact O-N 2.84Å; R248-R250 VanDerWaalsContact O-N 3.16Å; R250-T252 PolarHBondContact O-N 3.32Å |
| 251 | R | 88.5 | Confident | 77.9 | Confident | 207 Ų | 207 | 126.3 Ų | 126.3 | 78% | 0.781 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 119.8 | 177.1 | -70.1 | -177.2 | 177.3 | 172.9 | -3 | 108 | R249 | R249-R251 PolarHBondContact O-N 3.41Š|
| 252 | T | 88.6 | Confident | 80.5 | Confident | 109 Ų | 109 | 120 Ų | 120 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 137.7 | 165.6 | 40.9 | 0 | 0 | 0 | 0 | 109.4 | R250 | R250-T252 PolarHBondContact O-N 3.32Š|
| 253 | A | 94.1 | Very high | 82.9 | Confident | 96 Ų | 96 | 117.5 Ų | 117.5 | 79% | 0.793 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 150.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 254 | F | 97.1 | Very high | 85.2 | Confident | 56 Ų | 56 | 117.5 Ų | 117.5 | 25% | 0.246 | 58% | 0.581 | C | S | . | * | P | Polyproline II helix | trans | -86.5 | 149.4 | 170 | -58.1 | -57.8 | 0 | 0 | 0 | 109.8 | Q258 L259 L286 Q290 W294 | F254-Q258 HydrophobicContact CB-CB 4.24Å; F254-L259 HydrophobicContact CB-CD2 3.98Å; F254-L259 HydrophobicContact CB-CG 4.05Å; F254-L259 HydrophobicContact CD2-CD2 4.22Å; F254-L286 HydrophobicContact CD1-CD1 3.87Å; F254-L286 HydrophobicContact CD1-CD2 3.75Å; F254-L286 HydrophobicContact CD1-CG 4.5Å; F254-L286 HydrophobicContact CE1-CD1 3.85Å; F254-L286 HydrophobicContact CE1-CD2 3.74Å; F254-L286 HydrophobicContact CE1-CG 4.43Å; F254-Q290 HydrophobicContact CE1-CB 4.05Å; F254-Q290 HydrophobicContact CE1-CG 4.23Å; F254-Q290 HydrophobicContact CZ-CB 3.98Å; F254-Q290 HydrophobicContact CZ-CG 4.24Å; F254-W294 AromaticContact CD2-CD1 3.79Å; F254-W294 HydrophobicContact CE2-CB 4.47Å; F254-W294 AromaticContact CE2-CD1 3.69Å; F254-W294 HydrophobicContact CE2-CG 4.47Å |
| 255 | T | 98 | Very high | 87.5 | Confident | 72 Ų | 72 | 112.9 Ų | 112.9 | 44% | 0.442 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 162.6 | 175.2 | 72.2 | 0 | 0 | 0 | 0 | 111 | E257 Q258 L259 | T255-E257 VanDerWaalsContact C-N 3.29Å; T255-E257 PolarHBondContact O-N 3.26Å; T255-Q258 PolarHBondContact O-N 3.33Å; T255-Q258 VanDerWaalsContact OG1-CG 3.29Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.5Å; T255-Q258 PolarHBondContact OG1-N 2.82Å; T255-L259 WeakPolarHBondContact O-CG 3.34Å; T255-L259 PolarHBondContact O-N 3.2Å |
| 256 | S | 97.6 | Very high | 89.7 | Confident | 91 Ų | 91 | 110.5 Ų | 110.5 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.2 | -41.9 | 177 | -165.5 | 0 | 0 | 0 | 0 | 112 | L259 L260 | S256-L259 PolarHBondContact O-N 3.42Å; S256-L260 WeakPolarHBondContact O-CG 3.14Å; S256-L260 PolarHBondContact O-N 3.22Å |
| 257 | E | 97.8 | Very high | 91.8 | Very high | 152 Ų | 152 | 106.6 Ų | 106.6 | 71% | 0.71 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.7 | -48.9 | 175.4 | -175.5 | -173.8 | -179.1 | 0 | 0 | 112.1 | T255 L259 L260 E261 | T255-E257 VanDerWaalsContact C-N 3.29Å; T255-E257 PolarHBondContact O-N 3.26Å; E257-L259 VanDerWaalsContact C-N 3.27Å; E257-L259 PolarHBondContact O-N 3.46Å; E257-L260 PolarHBondContact O-N 2.61Å; E257-E261 PolarHBondContact O-N 2.84Å; E257-E261 VanDerWaalsContact O-N 3.1Å |
| 258 | Q | 98.2 | Very high | 93.8 | Very high | 30 Ų | 30 | 103.3 Ų | 103.3 | 14% | 0.14 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59 | -39.6 | 175.8 | -73.3 | 172.7 | -23.2 | 0 | 0 | 111.8 | F254 T255 L262 L284 | F254-Q258 HydrophobicContact CB-CB 4.24Å; T255-Q258 PolarHBondContact O-N 3.33Å; T255-Q258 VanDerWaalsContact OG1-CG 3.29Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.5Å; T255-Q258 PolarHBondContact OG1-N 2.82Å; Q258-L262 VanDerWaalsContact O-CB 3.31Å; Q258-L262 WeakPolarHBondContact O-CB 3.31Å; Q258-L262 WeakPolarHBondContact O-CD1 3.43Å; Q258-L262 WeakPolarHBondContact O-CG 3.37Å; Q258-L262 PolarHBondContact O-N 3.2Å; Q258-L262 VanDerWaalsContact O-N 3.09Å; Q258-L284 HydrophobicContact CG-CB 4.33Å; Q258-L284 PolarHBondContact NE2-O 2.75Å |
| 259 | L | 98.2 | Very high | 95.1 | Very high | 64 Ų | 64 | 98.9 Ų | 98.9 | 34% | 0.335 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.8 | -40 | 177.2 | -69.4 | 174.1 | 0 | 0 | 0 | 112.3 | F254 T255 S256 E257 E263 | F254-L259 HydrophobicContact CB-CD2 3.98Å; F254-L259 HydrophobicContact CB-CG 4.05Å; F254-L259 HydrophobicContact CD2-CD2 4.22Å; T255-L259 WeakPolarHBondContact O-CG 3.34Å; T255-L259 PolarHBondContact O-N 3.2Å; S256-L259 PolarHBondContact O-N 3.42Å; E257-L259 VanDerWaalsContact C-N 3.27Å; E257-L259 PolarHBondContact O-N 3.46Å; L259-E263 WeakPolarHBondContact O-CB 3.3Å; L259-E263 WeakPolarHBondContact O-CG 3.49Å; L259-E263 PolarHBondContact O-N 3.23Å |
| 260 | L | 98.1 | Very high | 96 | Very high | 122 Ų | 122 | 90.5 Ų | 90.5 | 64% | 0.639 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62 | -48.2 | 178 | -76.4 | 166.3 | 0 | 0 | 0 | 111.6 | S256 E257 E263 K264 | S256-L260 WeakPolarHBondContact O-CG 3.14Å; S256-L260 PolarHBondContact O-N 3.22Å; E257-L260 PolarHBondContact O-N 2.61Å; L260-E263 PolarHBondContact O-N 3.07Å; L260-K264 PolarHBondContact O-N 3.36Å |
| 261 | E | 98.3 | Very high | 96.8 | Very high | 66 Ų | 66 | 86.1 Ų | 86.1 | 31% | 0.308 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | -179.1 | -162.6 | 64.8 | -162.7 | 0 | 0 | 111.8 | E257 E263 K264 E265 L284 | E257-E261 PolarHBondContact O-N 2.84Å; E257-E261 VanDerWaalsContact O-N 3.1Å; E261-E263 VanDerWaalsContact C-N 3.29Å; E261-E263 PolarHBondContact O-N 2.81Å; E261-K264 WeakPolarHBondContact O-CB 3.42Å; E261-K264 PolarHBondContact O-N 3.29Å; E261-K264 WeakPolarHBondContact OE1-CE 3.38Å; E261-K264 IonicContact OE1-NZ 2.66Å; E261-K264 PolarHBondContact OE1-NZ 3.33Å; E261-K264 WeakPolarHBondContact OE2-CD 3.33Å; E261-K264 IonicContact OE2-NZ 3.46Å; E261-K264 PolarHBondContact OE2-NZ 3.45Å; E261-E265 WeakPolarHBondContact O-CB 3.5Å; E261-E265 PolarHBondContact O-N 2.82Å; E261-L284 HydrophobicContact CB-CD1 4.2Å; E261-L284 HydrophobicContact CB-CD2 3.78Å; E261-L284 HydrophobicContact CG-CD1 4.5Å; E261-L284 HydrophobicContact CG-CD2 3.97Å |
| 262 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 171.4 | -72.8 | 168.8 | 0 | 0 | 0 | 112.2 | Q258 F266 I280 L284 L286 V291 W294 F295 | Q258-L262 VanDerWaalsContact O-CB 3.31Å; Q258-L262 WeakPolarHBondContact O-CB 3.31Å; Q258-L262 WeakPolarHBondContact O-CD1 3.43Å; Q258-L262 WeakPolarHBondContact O-CG 3.37Å; Q258-L262 PolarHBondContact O-N 3.2Å; Q258-L262 VanDerWaalsContact O-N 3.09Å; L262-F266 VanDerWaalsContact O-CB 3.27Å; L262-F266 WeakPolarHBondContact O-CB 3.49Å; L262-F266 PolarHBondContact O-N 3.35Å; L262-I280 HydrophobicContact CD2-CG2 3.89Å; L262-L284 HydrophobicContact CD1-CD1 4.39Å; L262-L284 HydrophobicContact CD2-CD1 3.89Å; L262-L284 HydrophobicContact CG-CD1 3.65Å; L262-L286 HydrophobicContact CD1-CD1 4.15Å; L262-V291 HydrophobicContact CD2-CG1 4.18Å; L262-V291 HydrophobicContact CD2-CG2 4.5Å; L262-W294 VanDerWaalsContact C-CH2 3.43Å; L262-W294 HydrophobicContact CB-CD2 3.97Å; L262-W294 HydrophobicContact CB-CE3 3.96Å; L262-W294 HydrophobicContact CB-CH2 3.71Å; L262-W294 HydrophobicContact CB-CZ2 3.69Å; L262-W294 HydrophobicContact CB-CZ3 3.84Å; L262-W294 HydrophobicContact CD1-CD2 3.94Å; L262-W294 HydrophobicContact CD1-CG 3.87Å; L262-W294 HydrophobicContact CD2-CE3 4.37Å; L262-W294 HydrophobicContact CG-CD2 4.37Å; L262-W294 VanDerWaalsContact O-CH2 3.27Å; L262-W294 WeakPolarHBondContact O-CH2 3.32Å; L262-W294 VanDerWaalsContact O-CZ3 3.3Å; L262-W294 WeakPolarHBondContact O-CZ3 3.36Å; L262-F295 HydrophobicContact CD2-CD2 4.49Å; L262-F295 HydrophobicContact CD2-CE2 3.94Å |
| 263 | E | 98.4 | Very high | 97.8 | Very high | 67 Ų | 67 | 74.9 Ų | 74.9 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 173.7 | -75.3 | -156.9 | -171.3 | 0 | 0 | 112.3 | L259 L260 E261 F266 H267 W294 R298 | L259-E263 WeakPolarHBondContact O-CB 3.3Å; L259-E263 WeakPolarHBondContact O-CG 3.49Å; L259-E263 PolarHBondContact O-N 3.23Å; L260-E263 PolarHBondContact O-N 3.07Å; E261-E263 VanDerWaalsContact C-N 3.29Å; E261-E263 PolarHBondContact O-N 2.81Å; E263-F266 PolarHBondContact O-N 3.11Å; E263-H267 PolarHBondContact O-N 3.23Å; E263-H267 PolarHBondContact O-ND1 3.13Å; E263-W294 HydrophobicContact CB-CH2 4.5Å; E263-W294 HydrophobicContact CG-CH2 3.81Å; E263-W294 HydrophobicContact CG-CZ2 3.78Å; E263-R298 VanDerWaalsContact CD-CZ 3.41Å; E263-R298 IonicContact OE1-CZ 2.61Å; E263-R298 VanDerWaalsContact OE1-CZ 3.3Å; E263-R298 IonicContact OE1-NH1 3.53Å; E263-R298 PolarHBondContact OE1-NH1 3.41Å; E263-R298 IonicContact OE1-NH2 2.78Å; E263-R298 PolarHBondContact OE1-NH2 2.94Å; E263-R298 IonicContact OE2-CZ 2.62Å; E263-R298 IonicContact OE2-NH1 3.4Å; E263-R298 IonicContact OE2-NH2 2.75Å; E263-R298 PolarHBondContact OE2-NH2 3.5Å |
| 264 | K | 98.2 | Very high | 98 | Very high | 109 Ų | 109 | 75.6 Ų | 75.6 | 47% | 0.474 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.9 | -54.2 | 173.7 | 172 | -174.1 | 158.3 | -155.5 | 0 | 110.9 | L260 E261 F266 H267 C268 | L260-K264 PolarHBondContact O-N 3.36Å; E261-K264 WeakPolarHBondContact O-CB 3.42Å; E261-K264 PolarHBondContact O-N 3.29Å; E261-K264 WeakPolarHBondContact OE1-CE 3.38Å; E261-K264 IonicContact OE1-NZ 2.66Å; E261-K264 PolarHBondContact OE1-NZ 3.33Å; E261-K264 WeakPolarHBondContact OE2-CD 3.33Å; E261-K264 IonicContact OE2-NZ 3.46Å; E261-K264 PolarHBondContact OE2-NZ 3.45Å; K264-F266 VanDerWaalsContact C-N 3.29Å; K264-F266 PolarHBondContact O-N 2.97Å; K264-H267 WeakPolarHBondContact O-CA 3.45Å; K264-H267 WeakPolarHBondContact O-CB 3.41Å; K264-H267 PolarHBondContact O-N 2.85Å; K264-C268 PolarHBondContact O-N 3.44Å; K264-C268 VanDerWaalsContact O-N 3.08Å; K264-C268 PolarHBondContact O-SG 3.09Å; K264-C268 VanDerWaalsContact O-SG 3.4Å |
| 265 | E | 98.1 | Very high | 98 | Very high | 51 Ų | 51 | 77.4 Ų | 77.4 | 24% | 0.238 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 176.5 | -75.6 | -58 | 117.9 | 0 | 0 | 112.3 | E261 H267 C268 K269 I280 F295 | E261-E265 WeakPolarHBondContact O-CB 3.5Å; E261-E265 PolarHBondContact O-N 2.82Å; E265-H267 VanDerWaalsContact C-N 3.31Å; E265-H267 PolarHBondContact O-N 2.92Å; E265-C268 WeakPolarHBondContact O-CB 3.42Å; E265-C268 PolarHBondContact O-N 2.79Å; E265-K269 PolarHBondContact O-N 3.27Å; E265-I280 HydrophobicContact CB-CD1 4.04Å; E265-I280 HydrophobicContact CG-CD1 3.75Å; E265-I280 HydrophobicContact CG-CG1 4.1Å; E265-F295 HydrophobicContact CB-CZ 4.1Å |
| 266 | F | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 76.6 Ų | 76.6 | 2% | 0.022 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.9 | -30.6 | 173.7 | -174.5 | -97.3 | 0 | 0 | 0 | 113.3 | L262 E263 K264 K269 K270 W294 F295 R298 R299 W302 | L262-F266 VanDerWaalsContact O-CB 3.27Å; L262-F266 WeakPolarHBondContact O-CB 3.49Å; L262-F266 PolarHBondContact O-N 3.35Å; E263-F266 PolarHBondContact O-N 3.11Å; K264-F266 VanDerWaalsContact C-N 3.29Å; K264-F266 PolarHBondContact O-N 2.97Å; F266-K269 WeakPolarHBondContact CA-O 3.27Å; F266-K270 HydrophobicContact CD1-CD 4.22Å; F266-K270 HydrophobicContact CD2-CD 4.43Å; F266-K270 HydrophobicContact CE1-CD 3.72Å; F266-K270 HydrophobicContact CE2-CB 4.22Å; F266-K270 HydrophobicContact CE2-CD 3.95Å; F266-K270 HydrophobicContact CZ-CB 4.49Å; F266-K270 HydrophobicContact CZ-CD 3.57Å; F266-K270 WeakPolarHBondContact O-CD 3.3Å; F266-K270 PolarHBondContact O-NZ 3.21Å; F266-W294 HydrophobicContact CB-CH2 4.19Å; F266-W294 HydrophobicContact CB-CZ3 3.97Å; F266-W294 HydrophobicContact CG-CZ3 4.41Å; F266-F295 HydrophobicContact CB-CE1 4.13Å; F266-F295 HydrophobicContact CB-CZ 4.21Å; F266-F295 AromaticContact CD2-CD1 3.88Å; F266-F295 HydrophobicContact CD2-CD1 3.88Å; F266-F295 AromaticContact CD2-CE1 3.83Å; F266-F295 HydrophobicContact CD2-CE1 3.83Å; F266-F295 HydrophobicContact CG-CE1 4.5Å; F266-R298 HydrophobicContact CB-CG 4.31Å; F266-R298 HydrophobicContact CD1-CG 3.54Å; F266-R298 HydrophobicContact CD2-CB 4.11Å; F266-R298 HydrophobicContact CD2-CG 3.54Å; F266-R298 HydrophobicContact CE1-CG 3.62Å; F266-R298 HydrophobicContact CE2-CB 4.06Å; F266-R298 HydrophobicContact CE2-CG 3.63Å; F266-R298 HydrophobicContact CG-CB 4.49Å; F266-R298 HydrophobicContact CG-CG 3.5Å; F266-R298 VanDerWaalsContact CG-CG 3.5Å; F266-R298 HydrophobicContact CZ-CB 4.41Å; F266-R298 HydrophobicContact CZ-CG 3.66Å; F266-R299 HydrophobicContact CE2-CG 3.76Å; F266-R299 HydrophobicContact CZ-CG 4.26Å; F266-W302 HydrophobicContact CE1-CB 4.35Å; F266-W302 HydrophobicContact CE1-CG 4.45Å; F266-W302 HydrophobicContact CZ-CB 4.11Å; F266-W302 HydrophobicContact CZ-CG 4.33Å |
| 267 | H | 97.8 | Very high | 98.1 | Very high | 121 Ų | 121 | 74.9 Ų | 74.9 | 56% | 0.56 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.1 | -47.3 | 173.5 | -73.4 | 96.2 | 0 | 0 | 0 | 110.4 | E263 K264 E265 K270 | E263-H267 PolarHBondContact O-N 3.23Å; E263-H267 PolarHBondContact O-ND1 3.13Å; K264-H267 WeakPolarHBondContact O-CA 3.45Å; K264-H267 WeakPolarHBondContact O-CB 3.41Å; K264-H267 PolarHBondContact O-N 2.85Å; E265-H267 VanDerWaalsContact C-N 3.31Å; E265-H267 PolarHBondContact O-N 2.92Å; H267-K270 PolarHBondContact O-NZ 2.8Å |
| 268 | C | 97.4 | Very high | 98.1 | Very high | 98 Ų | 98 | 69.1 Ų | 69.1 | 66% | 0.662 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.5 | -51.6 | 173.5 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | K264 E265 | K264-C268 PolarHBondContact O-N 3.44Å; K264-C268 VanDerWaalsContact O-N 3.08Å; K264-C268 PolarHBondContact O-SG 3.09Å; K264-C268 VanDerWaalsContact O-SG 3.4Å; E265-C268 WeakPolarHBondContact O-CB 3.42Å; E265-C268 PolarHBondContact O-N 2.79Å |
| 269 | K | 97.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 73.7 Ų | 73.7 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | trans | -146.9 | 133.3 | -178.7 | -163.7 | 163.3 | 58.3 | 174 | 0 | 114.2 | E265 F266 Y271 E276 | E265-K269 PolarHBondContact O-N 3.27Å; F266-K269 WeakPolarHBondContact CA-O 3.27Å; K269-Y271 WeakPolarHBondContact CD-O 3.49Å; K269-Y271 WeakPolarHBondContact CE-O 3.49Å; K269-Y271 WeakPolarHBondContact CG-O 3.27Å; K269-Y271 PolarHBondContact O-N 3.16Å; K269-E276 WeakPolarHBondContact CE-OE2 3.37Å; K269-E276 IonicContact NZ-OE1 3.44Å; K269-E276 PolarHBondContact NZ-OE1 2.67Å; K269-E276 IonicContact NZ-OE2 3.3Å; K269-E276 PolarHBondContact NZ-OE2 3.46Å | ||
| 270 | K | 97.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 71.3 Ų | 71.3 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -78.1 | -18.8 | -177.7 | -47.2 | -57 | 163.8 | -148 | 0 | 113.9 | F266 H267 R299 | F266-K270 HydrophobicContact CD1-CD 4.22Å; F266-K270 HydrophobicContact CD2-CD 4.43Å; F266-K270 HydrophobicContact CE1-CD 3.72Å; F266-K270 HydrophobicContact CE2-CB 4.22Å; F266-K270 HydrophobicContact CE2-CD 3.95Å; F266-K270 HydrophobicContact CZ-CB 4.49Å; F266-K270 HydrophobicContact CZ-CD 3.57Å; F266-K270 WeakPolarHBondContact O-CD 3.3Å; F266-K270 PolarHBondContact O-NZ 3.21Å; H267-K270 PolarHBondContact O-NZ 2.8Å; K270-R299 VanDerWaalsContact O-CD 3.31Å; K270-R299 WeakPolarHBondContact O-CD 3.15Å; K270-R299 PolarHBondContact O-NH1 3.16Å |
| 271 | Y | 98.1 | Very high | 98.1 | Very high | 150 Ų | 150 | 65.8 Ų | 65.8 | 59% | 0.588 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -137 | 119.6 | -176.9 | -62.3 | -92.9 | 0 | 0 | 0 | 110 | K269 R299 | K269-Y271 WeakPolarHBondContact CD-O 3.49Å; K269-Y271 WeakPolarHBondContact CE-O 3.49Å; K269-Y271 WeakPolarHBondContact CG-O 3.27Å; K269-Y271 PolarHBondContact O-N 3.16Å; Y271-R299 VanDerWaalsContact CD1-CZ 3.46Å |
| 272 | L | 97.9 | Very high | 98.1 | Very high | 30 Ų | 30 | 69.6 Ų | 69.6 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | trans | -88.8 | 144.1 | 178.3 | -58.4 | 175.6 | 0 | 0 | 0 | 111.4 | E276 R277 I280 V291 F295 | L272-E276 WeakPolarHBondContact CA-OE2 3.48Å; L272-E276 HydrophobicContact CB-CB 4.36Å; L272-E276 HydrophobicContact CD2-CB 4.25Å; L272-R277 HydrophobicContact CB-CB 4.46Å; L272-R277 HydrophobicContact CD1-CB 4.4Å; L272-I280 HydrophobicContact CD1-CD1 3.63Å; L272-I280 HydrophobicContact CD2-CD1 3.75Å; L272-I280 HydrophobicContact CG-CD1 4.34Å; L272-V291 HydrophobicContact CD1-CG1 3.83Å; L272-F295 HydrophobicContact CD1-CD1 4.14Å; L272-F295 HydrophobicContact CD1-CD2 3.77Å; L272-F295 HydrophobicContact CD1-CE1 3.9Å; L272-F295 HydrophobicContact CD1-CE2 3.54Å; L272-F295 HydrophobicContact CD1-CG 4.08Å; L272-F295 HydrophobicContact CD1-CZ 3.61Å; L272-F295 HydrophobicContact CD2-CE1 3.92Å; L272-F295 HydrophobicContact CD2-CZ 3.96Å; L272-F295 HydrophobicContact CG-CD1 3.93Å; L272-F295 HydrophobicContact CG-CD2 4.47Å; L272-F295 HydrophobicContact CG-CE1 3.64Å; L272-F295 HydrophobicContact CG-CE2 4.23Å; L272-F295 HydrophobicContact CG-CG 4.35Å; L272-F295 HydrophobicContact CG-CZ 3.82Å | ||
| 273 | S | 98.3 | Very high | 98.1 | Very high | 49 Ų | 49 | 73.2 Ų | 73.2 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | trans | -67.8 | 177.8 | 163.2 | 77 | 0 | 0 | 0 | 0 | 111.1 | T275 E276 R277 | S273-T275 PolarHBondContact OG-N 3.23Å; S273-E276 PolarHBondContact N-OE2 3.34Å; S273-E276 VanDerWaalsContact OG-CD 3.25Å; S273-E276 VanDerWaalsContact OG-CG 3.3Å; S273-E276 WeakPolarHBondContact OG-CG 3.47Å; S273-E276 PolarHBondContact OG-N 3.32Å; S273-E276 PolarHBondContact OG-OE2 2.98Å; S273-R277 WeakPolarHBondContact O-CB 3.13Å; S273-R277 PolarHBondContact O-N 3.33Å | ||
| 274 | L | 98.2 | Very high | 98.1 | Very high | 112 Ų | 112 | 71 Ų | 71 | 59% | 0.586 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.2 | -49.8 | 172.4 | -177.6 | 61.7 | 0 | 0 | 0 | 110.9 | E276 R277 S278 | L274-E276 PolarHBondContact O-N 2.93Å; L274-R277 WeakPolarHBondContact O-CB 3.3Å; L274-R277 PolarHBondContact O-N 3.13Å; L274-S278 PolarHBondContact O-N 3.29Å |
| 275 | T | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 74.8 Ų | 74.8 | 58% | 0.577 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.7 | -44.5 | -177.4 | -43.5 | 0 | 0 | 0 | 0 | 112.6 | S273 S278 Q279 | S273-T275 PolarHBondContact OG-N 3.23Å; T275-S278 WeakPolarHBondContact O-CB 3.42Å; T275-S278 PolarHBondContact O-N 3.39Å; T275-Q279 WeakPolarHBondContact O-CG 3.3Å; T275-Q279 PolarHBondContact O-N 2.9Å |
| 276 | E | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 73.2 Ų | 73.2 | 26% | 0.257 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 178.9 | -67.1 | 159.1 | 172.6 | 0 | 0 | 111.9 | K269 L272 S273 L274 S278 Q279 I280 | K269-E276 WeakPolarHBondContact CE-OE2 3.37Å; K269-E276 IonicContact NZ-OE1 3.44Å; K269-E276 PolarHBondContact NZ-OE1 2.67Å; K269-E276 IonicContact NZ-OE2 3.3Å; K269-E276 PolarHBondContact NZ-OE2 3.46Å; L272-E276 WeakPolarHBondContact CA-OE2 3.48Å; L272-E276 HydrophobicContact CB-CB 4.36Å; L272-E276 HydrophobicContact CD2-CB 4.25Å; S273-E276 PolarHBondContact N-OE2 3.34Å; S273-E276 VanDerWaalsContact OG-CD 3.25Å; S273-E276 VanDerWaalsContact OG-CG 3.3Å; S273-E276 WeakPolarHBondContact OG-CG 3.47Å; S273-E276 PolarHBondContact OG-N 3.32Å; S273-E276 PolarHBondContact OG-OE2 2.98Å; L274-E276 PolarHBondContact O-N 2.93Å; E276-S278 VanDerWaalsContact C-N 3.3Å; E276-S278 PolarHBondContact O-N 3.4Å; E276-Q279 PolarHBondContact O-N 3.32Å; E276-I280 WeakPolarHBondContact O-CB 3.34Å; E276-I280 VanDerWaalsContact O-CG1 3.3Å; E276-I280 WeakPolarHBondContact O-CG1 3.36Å; E276-I280 PolarHBondContact O-N 3.23Å |
| 277 | R | 98.6 | Very high | 98 | Very high | 54 Ų | 54 | 75.5 Ų | 75.5 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.5 | -172.3 | -160.1 | -53.9 | 148.3 | 8.1 | 111.1 | L272 S273 L274 A281 E288 V291 | L272-R277 HydrophobicContact CB-CB 4.46Å; L272-R277 HydrophobicContact CD1-CB 4.4Å; S273-R277 WeakPolarHBondContact O-CB 3.13Å; S273-R277 PolarHBondContact O-N 3.33Å; L274-R277 WeakPolarHBondContact O-CB 3.3Å; L274-R277 PolarHBondContact O-N 3.13Å; R277-A281 WeakPolarHBondContact O-CB 3.24Å; R277-A281 PolarHBondContact O-N 2.99Å; R277-E288 WeakPolarHBondContact CD-O 3.44Å; R277-E288 WeakPolarHBondContact CD-OE2 3.3Å; R277-E288 HydrophobicContact CG-CB 4.24Å; R277-E288 HydrophobicContact CG-CG 4.2Å; R277-E288 IonicContact NH1-OE2 2.73Å; R277-V291 HydrophobicContact CG-CB 4.06Å; R277-V291 HydrophobicContact CG-CG1 3.95Å |
| 278 | S | 98.6 | Very high | 98 | Very high | 32 Ų | 32 | 72.9 Ų | 72.9 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.9 | -49.6 | 174.2 | 177.7 | 0 | 0 | 0 | 0 | 111 | L274 T275 E276 I280 A281 H282 | L274-S278 PolarHBondContact O-N 3.29Å; T275-S278 WeakPolarHBondContact O-CB 3.42Å; T275-S278 PolarHBondContact O-N 3.39Å; E276-S278 VanDerWaalsContact C-N 3.3Å; E276-S278 PolarHBondContact O-N 3.4Å; S278-I280 PolarHBondContact O-N 3.45Å; S278-A281 WeakPolarHBondContact O-CB 3.42Å; S278-A281 PolarHBondContact O-N 3.49Å; S278-H282 PolarHBondContact O-CD2 2.88Å; S278-H282 PolarHBondContact O-N 2.87Å; S278-H282 PolarHBondContact OG-CD2 3.23Å |
| 279 | Q | 98.4 | Very high | 98 | Very high | 125 Ų | 125 | 72.6 Ų | 72.6 | 58% | 0.584 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -56.3 | -48.4 | 177.1 | -69.6 | 173.8 | 21.3 | 0 | 0 | 112.8 | T275 E276 A281 H282 A283 | T275-Q279 WeakPolarHBondContact O-CG 3.3Å; T275-Q279 PolarHBondContact O-N 2.9Å; E276-Q279 PolarHBondContact O-N 3.32Å; Q279-A281 PolarHBondContact O-N 3.44Å; Q279-H282 PolarHBondContact O-N 3.31Å; Q279-A283 WeakPolarHBondContact O-CB 3.23Å; Q279-A283 PolarHBondContact O-N 3.49Å |
| 280 | I | 98.1 | Very high | 98.1 | Very high | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.077 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 178.5 | -66.6 | 163.6 | 0 | 0 | 0 | 111.3 | L262 E265 L272 E276 S278 L284 V291 | L262-I280 HydrophobicContact CD2-CG2 3.89Å; E265-I280 HydrophobicContact CB-CD1 4.04Å; E265-I280 HydrophobicContact CG-CD1 3.75Å; E265-I280 HydrophobicContact CG-CG1 4.1Å; L272-I280 HydrophobicContact CD1-CD1 3.63Å; L272-I280 HydrophobicContact CD2-CD1 3.75Å; L272-I280 HydrophobicContact CG-CD1 4.34Å; E276-I280 WeakPolarHBondContact O-CB 3.34Å; E276-I280 VanDerWaalsContact O-CG1 3.3Å; E276-I280 WeakPolarHBondContact O-CG1 3.36Å; E276-I280 PolarHBondContact O-N 3.23Å; S278-I280 PolarHBondContact O-N 3.45Å; I280-L284 HydrophobicContact CG2-CD1 3.86Å; I280-L284 HydrophobicContact CG2-CG 4.44Å; I280-L284 WeakPolarHBondContact O-CB 3.41Å; I280-L284 WeakPolarHBondContact O-CG 3.49Å; I280-L284 PolarHBondContact O-N 2.93Å; I280-V291 HydrophobicContact CB-CG1 4.5Å; I280-V291 HydrophobicContact CG2-CG1 4.03Å; I280-V291 HydrophobicContact CG2-CG2 4.26Å |
| 281 | A | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 68.4 Ų | 68.4 | 5% | 0.05 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R277 S278 Q279 K285 L286 E288 V291 | R277-A281 WeakPolarHBondContact O-CB 3.24Å; R277-A281 PolarHBondContact O-N 2.99Å; S278-A281 WeakPolarHBondContact O-CB 3.42Å; S278-A281 PolarHBondContact O-N 3.49Å; Q279-A281 PolarHBondContact O-N 3.44Å; A281-K285 PolarHBondContact O-N 2.95Å; A281-K285 VanDerWaalsContact O-N 3.08Å; A281-L286 CarbonylContact C-O 3.44Å; A281-L286 WeakPolarHBondContact CA-O 3.46Å; A281-L286 VanDerWaalsContact CB-O 3.3Å; A281-L286 WeakPolarHBondContact CB-O 3.37Å; A281-L286 PolarHBondContact O-N 3.08Å; A281-L286 VanDerWaalsContact O-O 3.08Å; A281-E288 HydrophobicContact CB-CG 3.99Å; A281-V291 HydrophobicContact CB-CG2 4.09Å |
| 282 | H | 98.3 | Very high | 98.1 | Very high | 146 Ų | 146 | 66.2 Ų | 66.2 | 68% | 0.676 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.9 | -48.5 | 175.9 | -76 | -67.7 | 0 | 0 | 0 | 112.5 | S278 Q279 L284 K285 | S278-H282 PolarHBondContact O-CD2 2.88Å; S278-H282 PolarHBondContact O-N 2.87Å; S278-H282 PolarHBondContact OG-CD2 3.23Å; Q279-H282 PolarHBondContact O-N 3.31Å; H282-L284 VanDerWaalsContact C-N 3.32Å; H282-L284 PolarHBondContact O-N 3.33Å; H282-K285 PolarHBondContact O-N 3.32Å |
| 283 | A | 97.9 | Very high | 98.1 | Very high | 75 Ų | 75 | 68.8 Ų | 68.8 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.3 | -43 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q279 | Q279-A283 WeakPolarHBondContact O-CB 3.23Å; Q279-A283 PolarHBondContact O-N 3.49Å |
| 284 | L | 97.5 | Very high | 98.1 | Very high | 20 Ų | 20 | 67.6 Ų | 67.6 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -91.2 | 0.9 | -175.5 | -61.4 | -176 | 0 | 0 | 0 | 114.7 | Q258 E261 L262 I280 H282 L286 | Q258-L284 HydrophobicContact CG-CB 4.33Å; Q258-L284 PolarHBondContact NE2-O 2.75Å; E261-L284 HydrophobicContact CB-CD1 4.2Å; E261-L284 HydrophobicContact CB-CD2 3.78Å; E261-L284 HydrophobicContact CG-CD1 4.5Å; E261-L284 HydrophobicContact CG-CD2 3.97Å; L262-L284 HydrophobicContact CD1-CD1 4.39Å; L262-L284 HydrophobicContact CD2-CD1 3.89Å; L262-L284 HydrophobicContact CG-CD1 3.65Å; I280-L284 HydrophobicContact CG2-CD1 3.86Å; I280-L284 HydrophobicContact CG2-CG 4.44Å; I280-L284 WeakPolarHBondContact O-CB 3.41Å; I280-L284 WeakPolarHBondContact O-CG 3.49Å; I280-L284 PolarHBondContact O-N 2.93Å; H282-L284 VanDerWaalsContact C-N 3.32Å; H282-L284 PolarHBondContact O-N 3.33Å; L284-L286 HydrophobicContact CB-CD1 4.16Å; L284-L286 HydrophobicContact CB-CG 4.07Å; L284-L286 PolarHBondContact O-N 2.95Å |
| 285 | K | 98.1 | Very high | 98.1 | Very high | 189 Ų | 189 | 62.5 Ų | 62.5 | 82% | 0.822 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 43.6 | -172.2 | -53.9 | -172.4 | -177.1 | 70.2 | 0 | 112.3 | A281 H282 | A281-K285 PolarHBondContact O-N 2.95Å; A281-K285 VanDerWaalsContact O-N 3.08Å; H282-K285 PolarHBondContact O-N 3.32Å |
| 286 | L | 97.3 | Very high | 98.1 | Very high | 19 Ų | 19 | 62.5 Ų | 62.5 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | trans | -113.7 | 159.5 | 176 | -65.8 | -177.8 | 0 | 0 | 0 | 110.2 | F254 L262 A281 L284 V291 | F254-L286 HydrophobicContact CD1-CD1 3.87Å; F254-L286 HydrophobicContact CD1-CD2 3.75Å; F254-L286 HydrophobicContact CD1-CG 4.5Å; F254-L286 HydrophobicContact CE1-CD1 3.85Å; F254-L286 HydrophobicContact CE1-CD2 3.74Å; F254-L286 HydrophobicContact CE1-CG 4.43Å; L262-L286 HydrophobicContact CD1-CD1 4.15Å; A281-L286 CarbonylContact C-O 3.44Å; A281-L286 WeakPolarHBondContact CA-O 3.46Å; A281-L286 VanDerWaalsContact CB-O 3.3Å; A281-L286 WeakPolarHBondContact CB-O 3.37Å; A281-L286 PolarHBondContact O-N 3.08Å; A281-L286 VanDerWaalsContact O-O 3.08Å; L284-L286 HydrophobicContact CB-CD1 4.16Å; L284-L286 HydrophobicContact CB-CG 4.07Å; L284-L286 PolarHBondContact O-N 2.95Å; L286-V291 HydrophobicContact CB-CG2 4.22Å | ||
| 287 | S | 98.1 | Very high | 98.1 | Very high | 53 Ų | 53 | 64.7 Ų | 64.7 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | trans | -75.2 | 148.2 | 167 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | V289 Q290 V291 | S287-V289 PolarHBondContact O-N 2.77Å; S287-V289 VanDerWaalsContact O-N 3.13Å; S287-Q290 WeakPolarHBondContact O-CB 3.32Å; S287-Q290 PolarHBondContact O-N 3.03Å; S287-Q290 VanDerWaalsContact OG-CG 3.3Å; S287-Q290 WeakPolarHBondContact OG-CG 3.38Å; S287-Q290 PolarHBondContact OG-N 3.02Å; S287-Q290 PolarHBondContact OG-OE1 3.13Å; S287-V291 PolarHBondContact O-N 3.31Å; S287-V291 VanDerWaalsContact O-N 3.11Å | ||
| 288 | E | 98.2 | Very high | 98.1 | Very high | 66 Ų | 66 | 64.1 Ų | 64.1 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.6 | -36.1 | 170.6 | -80.4 | -167.2 | -133.4 | 0 | 0 | 112.8 | R277 A281 V291 K292 | R277-E288 WeakPolarHBondContact CD-O 3.44Å; R277-E288 WeakPolarHBondContact CD-OE2 3.3Å; R277-E288 HydrophobicContact CG-CB 4.24Å; R277-E288 HydrophobicContact CG-CG 4.2Å; R277-E288 IonicContact NH1-OE2 2.73Å; A281-E288 HydrophobicContact CB-CG 3.99Å; E288-V291 PolarHBondContact O-N 3.37Å; E288-K292 VanDerWaalsContact O-CB 3.23Å; E288-K292 WeakPolarHBondContact O-CB 3.31Å; E288-K292 PolarHBondContact O-N 3.19Å |
| 289 | V | 97.9 | Very high | 98.1 | Very high | 91 Ų | 91 | 65.1 Ų | 65.1 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 178 | -179.9 | 0 | 0 | 0 | 0 | 111 | S287 K292 I293 | S287-V289 PolarHBondContact O-N 2.77Å; S287-V289 VanDerWaalsContact O-N 3.13Å; V289-K292 PolarHBondContact O-N 2.97Å; V289-I293 HydrophobicContact CG1-CD1 3.81Å; V289-I293 HydrophobicContact CG1-CG1 4.47Å; V289-I293 WeakPolarHBondContact O-CB 3.14Å; V289-I293 VanDerWaalsContact O-CG1 3.24Å; V289-I293 WeakPolarHBondContact O-CG1 3.35Å; V289-I293 PolarHBondContact O-N 3.16Å |
| 290 | Q | 97.8 | Very high | 98 | Very high | 55 Ų | 55 | 61 Ų | 61 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 174.1 | -76.8 | 162.9 | -61.4 | 0 | 0 | 111.7 | F254 S287 I293 W294 | F254-Q290 HydrophobicContact CE1-CB 4.05Å; F254-Q290 HydrophobicContact CE1-CG 4.23Å; F254-Q290 HydrophobicContact CZ-CB 3.98Å; F254-Q290 HydrophobicContact CZ-CG 4.24Å; S287-Q290 WeakPolarHBondContact O-CB 3.32Å; S287-Q290 PolarHBondContact O-N 3.03Å; S287-Q290 VanDerWaalsContact OG-CG 3.3Å; S287-Q290 WeakPolarHBondContact OG-CG 3.38Å; S287-Q290 PolarHBondContact OG-N 3.02Å; S287-Q290 PolarHBondContact OG-OE1 3.13Å; Q290-I293 PolarHBondContact O-N 3.44Å; Q290-W294 WeakPolarHBondContact O-CB 3.47Å; Q290-W294 PolarHBondContact O-N 3.49Å |
| 291 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | L262 L272 R277 I280 A281 L286 S287 E288 I293 W294 F295 | L262-V291 HydrophobicContact CD2-CG1 4.18Å; L262-V291 HydrophobicContact CD2-CG2 4.5Å; L272-V291 HydrophobicContact CD1-CG1 3.83Å; R277-V291 HydrophobicContact CG-CB 4.06Å; R277-V291 HydrophobicContact CG-CG1 3.95Å; I280-V291 HydrophobicContact CB-CG1 4.5Å; I280-V291 HydrophobicContact CG2-CG1 4.03Å; I280-V291 HydrophobicContact CG2-CG2 4.26Å; A281-V291 HydrophobicContact CB-CG2 4.09Å; L286-V291 HydrophobicContact CB-CG2 4.22Å; S287-V291 PolarHBondContact O-N 3.31Å; S287-V291 VanDerWaalsContact O-N 3.11Å; E288-V291 PolarHBondContact O-N 3.37Å; V291-I293 PolarHBondContact O-N 3.4Å; V291-W294 PolarHBondContact O-N 3.16Å; V291-F295 HydrophobicContact CG1-CD2 3.98Å; V291-F295 HydrophobicContact CG1-CE2 4.17Å; V291-F295 WeakPolarHBondContact O-CD2 3.06Å; V291-F295 PolarHBondContact O-N 2.97Å |
| 292 | K | 98.1 | Very high | 97.7 | Very high | 104 Ų | 104 | 71 Ų | 71 | 45% | 0.452 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 175.5 | 175.8 | 178.3 | 176.8 | -178.5 | 0 | 112 | E288 V289 Q296 | E288-K292 VanDerWaalsContact O-CB 3.23Å; E288-K292 WeakPolarHBondContact O-CB 3.31Å; E288-K292 PolarHBondContact O-N 3.19Å; V289-K292 PolarHBondContact O-N 2.97Å; K292-Q296 VanDerWaalsContact O-CG 3.32Å; K292-Q296 WeakPolarHBondContact O-CG 3.4Å; K292-Q296 PolarHBondContact O-N 3.05Å; K292-Q296 VanDerWaalsContact O-N 3.13Å |
| 293 | I | 98.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 71.3 Ų | 71.3 | 43% | 0.431 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 178.6 | -71 | 167.7 | 0 | 0 | 0 | 111 | V289 Q290 V291 F295 Q296 N297 | V289-I293 HydrophobicContact CG1-CD1 3.81Å; V289-I293 HydrophobicContact CG1-CG1 4.47Å; V289-I293 WeakPolarHBondContact O-CB 3.14Å; V289-I293 VanDerWaalsContact O-CG1 3.24Å; V289-I293 WeakPolarHBondContact O-CG1 3.35Å; V289-I293 PolarHBondContact O-N 3.16Å; Q290-I293 PolarHBondContact O-N 3.44Å; V291-I293 PolarHBondContact O-N 3.4Å; I293-F295 PolarHBondContact O-N 3.42Å; I293-Q296 PolarHBondContact O-N 2.97Å; I293-N297 WeakPolarHBondContact CG2-ND2 3.48Å; I293-N297 WeakPolarHBondContact O-CB 3.38Å; I293-N297 PolarHBondContact O-N 3.38Å; I293-N297 PolarHBondContact O-ND2 2.91Å |
| 294 | W | 98.2 | Very high | 97.3 | Very high | 25 Ų | 25 | 74.5 Ų | 74.5 | 10% | 0.095 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 178.2 | -171.6 | 104.5 | 0 | 0 | 0 | 111.1 | F254 L262 E263 F266 Q290 V291 Q296 N297 R298 | F254-W294 AromaticContact CD2-CD1 3.79Å; F254-W294 HydrophobicContact CE2-CB 4.47Å; F254-W294 AromaticContact CE2-CD1 3.69Å; F254-W294 HydrophobicContact CE2-CG 4.47Å; L262-W294 VanDerWaalsContact C-CH2 3.43Å; L262-W294 HydrophobicContact CB-CD2 3.97Å; L262-W294 HydrophobicContact CB-CE3 3.96Å; L262-W294 HydrophobicContact CB-CH2 3.71Å; L262-W294 HydrophobicContact CB-CZ2 3.69Å; L262-W294 HydrophobicContact CB-CZ3 3.84Å; L262-W294 HydrophobicContact CD1-CD2 3.94Å; L262-W294 HydrophobicContact CD1-CG 3.87Å; L262-W294 HydrophobicContact CD2-CE3 4.37Å; L262-W294 HydrophobicContact CG-CD2 4.37Å; L262-W294 VanDerWaalsContact O-CH2 3.27Å; L262-W294 WeakPolarHBondContact O-CH2 3.32Å; L262-W294 VanDerWaalsContact O-CZ3 3.3Å; L262-W294 WeakPolarHBondContact O-CZ3 3.36Å; E263-W294 HydrophobicContact CB-CH2 4.5Å; E263-W294 HydrophobicContact CG-CH2 3.81Å; E263-W294 HydrophobicContact CG-CZ2 3.78Å; F266-W294 HydrophobicContact CB-CH2 4.19Å; F266-W294 HydrophobicContact CB-CZ3 3.97Å; F266-W294 HydrophobicContact CG-CZ3 4.41Å; Q290-W294 WeakPolarHBondContact O-CB 3.47Å; Q290-W294 PolarHBondContact O-N 3.49Å; V291-W294 PolarHBondContact O-N 3.16Å; W294-Q296 PolarHBondContact O-N 2.93Å; W294-N297 PolarHBondContact O-N 2.85Å; W294-R298 HydrophobicContact CE3-CB 3.95Å; W294-R298 HydrophobicContact CE3-CG 4.45Å; W294-R298 HydrophobicContact CH2-CB 4.05Å; W294-R298 HydrophobicContact CH2-CG 3.7Å; W294-R298 HydrophobicContact CZ2-CG 4.47Å; W294-R298 HydrophobicContact CZ3-CB 3.69Å; W294-R298 HydrophobicContact CZ3-CG 3.69Å; W294-R298 WeakPolarHBondContact O-CB 3.5Å; W294-R298 PolarHBondContact O-N 2.77Å |
| 295 | F | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 77.3 Ų | 77.3 | 2% | 0.022 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 177.7 | -93.6 | -102.8 | 0 | 0 | 0 | 113 | L262 E265 F266 L272 V291 I293 R298 R299 | L262-F295 HydrophobicContact CD2-CD2 4.49Å; L262-F295 HydrophobicContact CD2-CE2 3.94Å; E265-F295 HydrophobicContact CB-CZ 4.1Å; F266-F295 HydrophobicContact CB-CE1 4.13Å; F266-F295 HydrophobicContact CB-CZ 4.21Å; F266-F295 AromaticContact CD2-CD1 3.88Å; F266-F295 HydrophobicContact CD2-CD1 3.88Å; F266-F295 AromaticContact CD2-CE1 3.83Å; F266-F295 HydrophobicContact CD2-CE1 3.83Å; F266-F295 HydrophobicContact CG-CE1 4.5Å; L272-F295 HydrophobicContact CD1-CD1 4.14Å; L272-F295 HydrophobicContact CD1-CD2 3.77Å; L272-F295 HydrophobicContact CD1-CE1 3.9Å; L272-F295 HydrophobicContact CD1-CE2 3.54Å; L272-F295 HydrophobicContact CD1-CG 4.08Å; L272-F295 HydrophobicContact CD1-CZ 3.61Å; L272-F295 HydrophobicContact CD2-CE1 3.92Å; L272-F295 HydrophobicContact CD2-CZ 3.96Å; L272-F295 HydrophobicContact CG-CD1 3.93Å; L272-F295 HydrophobicContact CG-CD2 4.47Å; L272-F295 HydrophobicContact CG-CE1 3.64Å; L272-F295 HydrophobicContact CG-CE2 4.23Å; L272-F295 HydrophobicContact CG-CG 4.35Å; L272-F295 HydrophobicContact CG-CZ 3.82Å; V291-F295 HydrophobicContact CG1-CD2 3.98Å; V291-F295 HydrophobicContact CG1-CE2 4.17Å; V291-F295 WeakPolarHBondContact O-CD2 3.06Å; V291-F295 PolarHBondContact O-N 2.97Å; I293-F295 PolarHBondContact O-N 3.42Å; F295-R298 PolarHBondContact O-N 2.93Å; F295-R299 WeakPolarHBondContact O-CG 3.49Å; F295-R299 PolarHBondContact O-N 2.88Å |
| 296 | Q | 98.5 | Very high | 96.5 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 172.6 | -73 | 174.9 | 36.7 | 0 | 0 | 111.7 | K292 I293 W294 R298 R299 A300 | K292-Q296 VanDerWaalsContact O-CG 3.32Å; K292-Q296 WeakPolarHBondContact O-CG 3.4Å; K292-Q296 PolarHBondContact O-N 3.05Å; K292-Q296 VanDerWaalsContact O-N 3.13Å; I293-Q296 PolarHBondContact O-N 2.97Å; W294-Q296 PolarHBondContact O-N 2.93Å; Q296-R298 VanDerWaalsContact C-N 3.3Å; Q296-R298 PolarHBondContact O-N 2.87Å; Q296-R299 PolarHBondContact O-N 3.22Å; Q296-A300 WeakPolarHBondContact O-CB 3.34Å; Q296-A300 PolarHBondContact O-N 2.78Å |
| 297 | N | 97.8 | Very high | 96 | Very high | 102 Ų | 102 | 78.3 Ų | 78.3 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 177.4 | -74.1 | -34.5 | 0 | 0 | 0 | 112 | I293 W294 A300 K301 | I293-N297 WeakPolarHBondContact CG2-ND2 3.48Å; I293-N297 WeakPolarHBondContact O-CB 3.38Å; I293-N297 PolarHBondContact O-N 3.38Å; I293-N297 PolarHBondContact O-ND2 2.91Å; W294-N297 PolarHBondContact O-N 2.85Å; N297-A300 PolarHBondContact O-N 3.13Å; N297-K301 PolarHBondContact O-N 3.09Å |
| 298 | R | 97.9 | Very high | 95.1 | Very high | 41 Ų | 41 | 79 Ų | 79 | 16% | 0.155 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 177.5 | -171.3 | 65.9 | -179.3 | -163.1 | -5.9 | 111.8 | E263 F266 W294 F295 Q296 A300 K301 W302 | E263-R298 VanDerWaalsContact CD-CZ 3.41Å; E263-R298 IonicContact OE1-CZ 2.61Å; E263-R298 VanDerWaalsContact OE1-CZ 3.3Å; E263-R298 IonicContact OE1-NH1 3.53Å; E263-R298 PolarHBondContact OE1-NH1 3.41Å; E263-R298 IonicContact OE1-NH2 2.78Å; E263-R298 PolarHBondContact OE1-NH2 2.94Å; E263-R298 IonicContact OE2-CZ 2.62Å; E263-R298 IonicContact OE2-NH1 3.4Å; E263-R298 IonicContact OE2-NH2 2.75Å; E263-R298 PolarHBondContact OE2-NH2 3.5Å; F266-R298 HydrophobicContact CB-CG 4.31Å; F266-R298 HydrophobicContact CD1-CG 3.54Å; F266-R298 HydrophobicContact CD2-CB 4.11Å; F266-R298 HydrophobicContact CD2-CG 3.54Å; F266-R298 HydrophobicContact CE1-CG 3.62Å; F266-R298 HydrophobicContact CE2-CB 4.06Å; F266-R298 HydrophobicContact CE2-CG 3.63Å; F266-R298 HydrophobicContact CG-CB 4.49Å; F266-R298 HydrophobicContact CG-CG 3.5Å; F266-R298 VanDerWaalsContact CG-CG 3.5Å; F266-R298 HydrophobicContact CZ-CB 4.41Å; F266-R298 HydrophobicContact CZ-CG 3.66Å; W294-R298 HydrophobicContact CE3-CB 3.95Å; W294-R298 HydrophobicContact CE3-CG 4.45Å; W294-R298 HydrophobicContact CH2-CB 4.05Å; W294-R298 HydrophobicContact CH2-CG 3.7Å; W294-R298 HydrophobicContact CZ2-CG 4.47Å; W294-R298 HydrophobicContact CZ3-CB 3.69Å; W294-R298 HydrophobicContact CZ3-CG 3.69Å; W294-R298 WeakPolarHBondContact O-CB 3.5Å; W294-R298 PolarHBondContact O-N 2.77Å; F295-R298 PolarHBondContact O-N 2.93Å; Q296-R298 VanDerWaalsContact C-N 3.3Å; Q296-R298 PolarHBondContact O-N 2.87Å; R298-A300 PolarHBondContact O-N 2.78Å; R298-K301 PolarHBondContact O-N 2.78Å; R298-W302 WeakPolarHBondContact O-CB 2.86Å; R298-W302 PolarHBondContact O-N 2.98Å |
| 299 | R | 97.8 | Very high | 93.6 | Very high | 53 Ų | 53 | 82.1 Ų | 82.1 | 20% | 0.2 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 171.6 | -75.1 | -166.6 | -66.5 | -90.7 | 6.3 | 112.4 | F266 K270 Y271 F295 Q296 W302 K303 | F266-R299 HydrophobicContact CE2-CG 3.76Å; F266-R299 HydrophobicContact CZ-CG 4.26Å; K270-R299 VanDerWaalsContact O-CD 3.31Å; K270-R299 WeakPolarHBondContact O-CD 3.15Å; K270-R299 PolarHBondContact O-NH1 3.16Å; Y271-R299 VanDerWaalsContact CD1-CZ 3.46Å; F295-R299 WeakPolarHBondContact O-CG 3.49Å; F295-R299 PolarHBondContact O-N 2.88Å; Q296-R299 PolarHBondContact O-N 3.22Å; R299-W302 PolarHBondContact O-N 3.39Å; R299-K303 WeakPolarHBondContact O-CB 3.43Å; R299-K303 PolarHBondContact O-N 3.33Å |
| 300 | A | 97 | Very high | 91.7 | Very high | 39 Ų | 39 | 80 Ų | 80 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q296 N297 R298 R304 | Q296-A300 WeakPolarHBondContact O-CB 3.34Å; Q296-A300 PolarHBondContact O-N 2.78Å; N297-A300 PolarHBondContact O-N 3.13Å; R298-A300 PolarHBondContact O-N 2.78Å; A300-R304 PolarHBondContact O-N 3.26Å; A300-R304 PolarHBondContact O-NE 3.42Å |
| 301 | K | 95.3 | Very high | 89.6 | Confident | 115 Ų | 115 | 83.3 Ų | 83.3 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 172.1 | -172.9 | -179.9 | 180 | -177.4 | 0 | 111 | N297 R298 K303 R304 V305 | N297-K301 PolarHBondContact O-N 3.09Å; R298-K301 PolarHBondContact O-N 2.78Å; K301-K303 PolarHBondContact O-N 3.26Å; K301-R304 PolarHBondContact O-N 2.73Å; K301-V305 WeakPolarHBondContact O-CG2 3.4Å; K301-V305 PolarHBondContact O-N 3.49Å |
| 302 | W | 94.9 | Very high | 87.2 | Confident | 116 Ų | 116 | 85.8 Ų | 85.8 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 178.6 | 175.9 | 69.9 | 0 | 0 | 0 | 112.6 | F266 R298 R299 R304 V305 K306 | F266-W302 HydrophobicContact CE1-CB 4.35Å; F266-W302 HydrophobicContact CE1-CG 4.45Å; F266-W302 HydrophobicContact CZ-CB 4.11Å; F266-W302 HydrophobicContact CZ-CG 4.33Å; R298-W302 WeakPolarHBondContact O-CB 2.86Å; R298-W302 PolarHBondContact O-N 2.98Å; R299-W302 PolarHBondContact O-N 3.39Å; W302-R304 PolarHBondContact O-N 2.87Å; W302-V305 PolarHBondContact O-N 3.37Å; W302-K306 PolarHBondContact O-N 3.04Å |
| 303 | K | 95.3 | Very high | 85.3 | Confident | 153 Ų | 153 | 91.3 Ų | 91.3 | 67% | 0.665 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 175.4 | -171.4 | 171.1 | 70.3 | 169.7 | 0 | 112 | R299 K301 V305 K306 A307 | R299-K303 WeakPolarHBondContact O-CB 3.43Å; R299-K303 PolarHBondContact O-N 3.33Å; K301-K303 PolarHBondContact O-N 3.26Å; K303-V305 VanDerWaalsContact C-N 3.33Å; K303-V305 PolarHBondContact O-N 3.42Å; K303-K306 PolarHBondContact O-N 3.41Å; K303-A307 WeakPolarHBondContact O-CB 3.37Å; K303-A307 PolarHBondContact O-N 3.3Å |
| 304 | R | 93.3 | Very high | 82.8 | Confident | 141 Ų | 141 | 92.8 Ų | 92.8 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 175.3 | -83.6 | -178.4 | -87.9 | 110.3 | -5.7 | 113.2 | A300 K301 W302 N309 | A300-R304 PolarHBondContact O-N 3.26Å; A300-R304 PolarHBondContact O-NE 3.42Å; K301-R304 PolarHBondContact O-N 2.73Å; W302-R304 PolarHBondContact O-N 2.87Å; R304-N309 PolarHBondContact O-N 2.91Å |
| 305 | V | 90.3 | Very high | 80.3 | Confident | 79 Ų | 79 | 95.9 Ų | 95.9 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 174 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | K301 W302 K303 A307 G308 A310 | K301-V305 WeakPolarHBondContact O-CG2 3.4Å; K301-V305 PolarHBondContact O-N 3.49Å; W302-V305 PolarHBondContact O-N 3.37Å; K303-V305 VanDerWaalsContact C-N 3.33Å; K303-V305 PolarHBondContact O-N 3.42Å; V305-A307 VanDerWaalsContact C-N 3.29Å; V305-A307 PolarHBondContact O-N 3.1Å; V305-G308 PolarHBondContact O-N 3.33Å; V305-A310 HydrophobicContact CB-CB 4.03Å; V305-A310 HydrophobicContact CG1-CB 4.3Å; V305-A310 HydrophobicContact CG2-CB 3.65Å |
| 306 | K | 87.9 | Confident | 77.2 | Confident | 164 Ų | 164 | 100.5 Ų | 100.5 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.5 | -30.6 | 179 | 178.2 | 64.7 | 86.6 | 167 | 0 | 112.7 | W302 K303 G308 | W302-K306 PolarHBondContact O-N 3.04Å; K303-K306 PolarHBondContact O-N 3.41Å; K306-G308 VanDerWaalsContact C-N 3.26Å; K306-G308 PolarHBondContact O-N 3.27Å |
| 307 | A | 86.6 | Confident | 74.6 | Confident | 66 Ų | 66 | 101.6 Ų | 101.6 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | 7.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | K303 V305 N309 | K303-A307 WeakPolarHBondContact O-CB 3.37Å; K303-A307 PolarHBondContact O-N 3.3Å; V305-A307 VanDerWaalsContact C-N 3.29Å; V305-A307 PolarHBondContact O-N 3.1Å; A307-N309 PolarHBondContact O-N 3.43Å; A307-N309 VanDerWaalsContact O-N 3.13Å; A307-N309 PolarHBondContact O-OD1 3.14Å |
| 308 | G | 80.3 | Confident | 72.1 | Confident | 66 Ų | 66 | 98.9 Ų | 98.9 | 68% | 0.68 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -12.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V305 K306 A310 | V305-G308 PolarHBondContact O-N 3.33Å; K306-G308 VanDerWaalsContact C-N 3.26Å; K306-G308 PolarHBondContact O-N 3.27Å; G308-A310 PolarHBondContact O-N 3.29Å |
| 309 | N | 64.8 | Low | 70.1 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 71% | 0.711 | 58% | 0.58 | S | S | * | * | trans | -75.7 | 19.7 | 177.2 | -64.8 | 104.6 | 0 | 0 | 0 | 114.8 | R304 A307 | R304-N309 PolarHBondContact O-N 2.91Å; A307-N309 PolarHBondContact O-N 3.43Å; A307-N309 VanDerWaalsContact O-N 3.13Å; A307-N309 PolarHBondContact O-OD1 3.14Å | ||
| 310 | A | 59.6 | Low | 67.7 | Low | 47 Ų | 47 | 111.8 Ų | 111.8 | 39% | 0.388 | 61% | 0.607 | S | S | . | * | trans | -100.5 | 95.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V305 G308 | V305-A310 HydrophobicContact CB-CB 4.03Å; V305-A310 HydrophobicContact CG1-CB 4.3Å; V305-A310 HydrophobicContact CG2-CB 3.65Å; G308-A310 PolarHBondContact O-N 3.29Å | ||
| 311 | N | 53.5 | Low | 65.7 | Low | 123 Ų | 123 | 115.1 Ų | 115.1 | 66% | 0.658 | 63% | 0.625 | S | S | * | * | trans | -61.5 | 136.4 | 159.1 | -168 | 27.2 | 0 | 0 | 0 | 109.9 | S318 | N311-S318 WeakPolarHBondContact ND2-CB 3.47Å; N311-S318 PolarHBondContact ND2-OG 2.84Å; N311-S318 VanDerWaalsContact ND2-OG 3.16Å | ||
| 312 | S | 47.1 | Very low | 63.7 | Low | 52 Ų | 52 | 118.7 Ų | 118.7 | 36% | 0.364 | 64% | 0.64 | S | S | . | * | trans | 44.9 | 104.4 | 162.7 | 47.5 | 0 | 0 | 0 | 0 | 119.9 | T314 | S312-T314 PolarHBondContact O-N 2.97Š| ||
| 313 | K | 57.9 | Low | 62.1 | Low | 221 Ų | 221 | 119.9 Ų | 119.9 | 96% | 0.961 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -77.5 | 67.2 | 144.4 | -87.4 | -177.8 | 161.6 | -172.9 | 0 | 109.9 | ||
| 314 | T | 45.6 | Very low | 60.1 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -163.8 | 145.5 | 167.7 | 13.2 | 0 | 0 | 0 | 0 | 108.6 | S312 E316 | S312-T314 PolarHBondContact O-N 2.97Å; T314-E316 PolarHBondContact O-N 3.17Å |
| 315 | G | 45.6 | Very low | 58 | Low | 90 Ų | 90 | 116.4 Ų | 116.4 | 93% | 0.928 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -75.3 | 51.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 316 | E | 33.6 | Very low | 56 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 48% | 0.477 | 67% | 0.671 | S | S | . | * | trans | -101.2 | 126.4 | 167.3 | -163.6 | -83.1 | 141.9 | 0 | 0 | 108.4 | T314 S318 | T314-E316 PolarHBondContact O-N 3.17Å; E316-S318 PolarHBondContact O-N 3.49Å; E316-S318 WeakPolarHBondContact OE2-CA 3.43Å; E316-S318 WeakPolarHBondContact OE2-CB 3.28Å; E316-S318 PolarHBondContact OE2-N 3.48Å; E316-S318 PolarHBondContact OE2-OG 3.03Å | ||
| 317 | P | 45.4 | Very low | 54.1 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 75% | 0.753 | 67% | 0.667 | S | S | * | * | trans | -76 | 71.1 | 179.1 | 32.3 | -34.9 | 0 | 0 | 0 | 110.1 | R319 | P317-R319 PolarHBondContact O-N 3.03Å; P317-R319 VanDerWaalsContact O-N 3.09Å | ||
| 318 | S | 45 | Very low | 52.6 | Low | 46 Ų | 46 | 118.4 Ų | 118.4 | 32% | 0.322 | 68% | 0.679 | S | S | . | * | trans | -50.6 | 118.7 | -172.6 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | N311 E316 N320 | N311-S318 WeakPolarHBondContact ND2-CB 3.47Å; N311-S318 PolarHBondContact ND2-OG 2.84Å; N311-S318 VanDerWaalsContact ND2-OG 3.16Å; E316-S318 PolarHBondContact O-N 3.49Å; E316-S318 WeakPolarHBondContact OE2-CA 3.43Å; E316-S318 WeakPolarHBondContact OE2-CB 3.28Å; E316-S318 PolarHBondContact OE2-N 3.48Å; E316-S318 PolarHBondContact OE2-OG 3.03Å; S318-N320 PolarHBondContact O-N 2.93Å; S318-N320 VanDerWaalsContact O-N 3.16Å | ||
| 319 | R | 55.3 | Low | 51.4 | Low | 224 Ų | 224 | 121.3 Ų | 121.3 | 85% | 0.845 | 68% | 0.683 | S | S | * | * | trans | -55.4 | 117.3 | -162.5 | -58.9 | 176.1 | -174.7 | -169.8 | -0.7 | 110.5 | P317 | P317-R319 PolarHBondContact O-N 3.03Å; P317-R319 VanDerWaalsContact O-N 3.09Å | ||
| 320 | N | 48.5 | Very low | 51.2 | Low | 141 Ų | 141 | 123.5 Ų | 123.5 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | 4.7 | 96.6 | 166.9 | -63.4 | -78.9 | 0 | 0 | 0 | 114.5 | S318 K322 | S318-N320 PolarHBondContact O-N 2.93Å; S318-N320 VanDerWaalsContact O-N 3.16Å; N320-K322 VanDerWaalsContact C-N 3.33Å; N320-K322 PolarHBondContact O-N 2.99Å | ||
| 321 | P | 55.1 | Low | 51.2 | Low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | trans | -60.8 | 105.4 | 160.9 | 26.6 | -31.6 | 0 | 0 | 0 | 106.4 | I323 | P321-I323 PolarHBondContact O-N 2.97Š| ||
| 322 | K | 51.9 | Low | 51.1 | Low | 189 Ų | 189 | 124.9 Ų | 124.9 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | trans | -67.6 | 83.4 | 170.6 | -73.5 | 175.5 | 179.7 | 173.3 | 0 | 106.6 | N320 V324 | N320-K322 VanDerWaalsContact C-N 3.33Å; N320-K322 PolarHBondContact O-N 2.99Å; K322-V324 HydrophobicContact CB-CG2 4.4Å; K322-V324 PolarHBondContact O-N 3.1Å | ||
| 323 | I | 62.2 | Low | 51.5 | Low | 141 Ų | 141 | 132.8 Ų | 132.8 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | trans | -66.2 | 84.3 | 164.2 | -59.7 | 175.1 | 0 | 0 | 0 | 105.1 | P321 V325 | P321-I323 PolarHBondContact O-N 2.97Å; I323-V325 HydrophobicContact CG2-CG2 4.04Å; I323-V325 PolarHBondContact O-N 2.84Å | ||
| 324 | V | 52.8 | Low | 51.4 | Low | 120 Ų | 120 | 131.2 Ų | 131.2 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -69.4 | 84.3 | 164.8 | 178.9 | 0 | 0 | 0 | 0 | 105.3 | K322 P326 | K322-V324 HydrophobicContact CB-CG2 4.4Å; K322-V324 PolarHBondContact O-N 3.1Å; V324-P326 WeakPolarHBondContact O-CD 3.38Å | ||
| 325 | V | 48.3 | Very low | 52 | Low | 102 Ų | 102 | 128.5 Ų | 128.5 | 62% | 0.618 | 70% | 0.704 | S | S | * | * | trans | -56.8 | 125 | 150.7 | -172.5 | 0 | 0 | 0 | 0 | 104.7 | I323 I327 | I323-V325 HydrophobicContact CG2-CG2 4.04Å; I323-V325 PolarHBondContact O-N 2.84Å; V325-I327 VanDerWaalsContact C-N 3.28Å; V325-I327 PolarHBondContact O-N 3.15Å | ||
| 326 | P | 48.7 | Very low | 52.6 | Low | 108 Ų | 108 | 129.2 Ų | 129.2 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | -61.5 | 97.4 | 172.3 | -20.8 | 33.4 | 0 | 0 | 0 | 107.9 | V324 P328 | V324-P326 WeakPolarHBondContact O-CD 3.38Å; P326-P328 VanDerWaalsContact O-CD 3.28Å; P326-P328 WeakPolarHBondContact O-CD 3.41Å | ||
| 327 | I | 49.4 | Very low | 53.8 | Low | 121 Ų | 121 | 134.1 Ų | 134.1 | 62% | 0.621 | 70% | 0.7 | S | S | * | * | trans | -61.6 | 123.9 | 165.7 | -60.9 | 174 | 0 | 0 | 0 | 104.4 | V325 V329 | V325-I327 VanDerWaalsContact C-N 3.28Å; V325-I327 PolarHBondContact O-N 3.15Å; I327-V329 VanDerWaalsContact C-N 3.31Å; I327-V329 PolarHBondContact O-N 2.9Å | ||
| 328 | P | 53.3 | Low | 54.5 | Low | 122 Ų | 122 | 131.5 Ų | 131.5 | 79% | 0.792 | 68% | 0.684 | S | S | * | * | trans | -61.5 | 96.1 | 173.7 | -23.5 | 35.6 | 0 | 0 | 0 | 109.2 | P326 H330 | P326-P328 VanDerWaalsContact O-CD 3.28Å; P326-P328 WeakPolarHBondContact O-CD 3.41Å; P328-H330 PolarHBondContact O-N 2.77Å | ||
| 329 | V | 56.4 | Low | 55.2 | Low | 127 Ų | 127 | 135.6 Ų | 135.6 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | trans | -79.7 | 65.9 | -178.5 | -77.9 | 0 | 0 | 0 | 0 | 109.7 | I327 | I327-V329 VanDerWaalsContact C-N 3.31Å; I327-V329 PolarHBondContact O-N 2.9Å | ||
| 330 | H | 59.5 | Low | 55.5 | Low | 179 Ų | 179 | 131.2 Ų | 131.2 | 83% | 0.829 | 69% | 0.687 | S | S | * | * | trans | -131.8 | 30 | 174.3 | -131.3 | -75.8 | 0 | 0 | 0 | 115.4 | P328 | P328-H330 PolarHBondContact O-N 2.77Š| ||
| 331 | V | 59.7 | Low | 56.2 | Low | 117 Ų | 117 | 130.7 Ų | 130.7 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -130.7 | 113.2 | 140.9 | -167.8 | 0 | 0 | 0 | 0 | 107.2 | R333 I336 | V331-R333 PolarHBondContact O-N 3.06Å; V331-I336 HydrophobicContact CG1-CD1 4.48Å |
| 332 | S | 51 | Low | 56.5 | Low | 82 Ų | 82 | 131.5 Ų | 131.5 | 57% | 0.573 | 67% | 0.674 | S | S | * | * | trans | -57.9 | 108.3 | -171.4 | -65 | 0 | 0 | 0 | 0 | 111.9 | F334 A335 I336 | S332-F334 PolarHBondContact O-N 3.13Å; S332-A335 WeakPolarHBondContact O-CB 3.15Å; S332-A335 PolarHBondContact O-N 3.03Å; S332-I336 PolarHBondContact O-N 3.28Å | ||
| 333 | R | 56.9 | Low | 56.8 | Low | 217 Ų | 217 | 128.1 Ų | 128.1 | 82% | 0.819 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.7 | -18.8 | -178.9 | -157 | 174.7 | -176.4 | 130.4 | 0.6 | 113.4 | V331 | V331-R333 PolarHBondContact O-N 3.06Å |
| 334 | F | 54.5 | Low | 56.7 | Low | 189 Ų | 189 | 126.5 Ų | 126.5 | 83% | 0.829 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.7 | -38.6 | 169 | -102.1 | -91.7 | 0 | 0 | 0 | 113.6 | S332 R337 S338 | S332-F334 PolarHBondContact O-N 3.13Å; F334-R337 PolarHBondContact O-N 2.94Å; F334-S338 PolarHBondContact O-N 3.41Å |
| 335 | A | 59.3 | Low | 57 | Low | 57 Ų | 57 | 128.4 Ų | 128.4 | 47% | 0.471 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.1 | -43.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S332 R337 S338 Q339 | S332-A335 WeakPolarHBondContact O-CB 3.15Å; S332-A335 PolarHBondContact O-N 3.03Å; A335-R337 VanDerWaalsContact C-N 3.27Å; A335-R337 PolarHBondContact O-N 2.78Å; A335-S338 PolarHBondContact O-N 3.1Å; A335-Q339 WeakPolarHBondContact O-CB 3.36Å; A335-Q339 PolarHBondContact O-N 2.96Å |
| 336 | I | 58.2 | Low | 57.5 | Low | 104 Ų | 104 | 127.3 Ų | 127.3 | 53% | 0.533 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -58.2 | -40.2 | 175.4 | -57.1 | -62.4 | 0 | 0 | 0 | 111.5 | V331 S332 H340 | V331-I336 HydrophobicContact CG1-CD1 4.48Å; S332-I336 PolarHBondContact O-N 3.28Å; I336-H340 WeakPolarHBondContact O-CB 3.48Å; I336-H340 PolarHBondContact O-N 2.95Å; I336-H340 VanDerWaalsContact O-N 3.17Å |
| 337 | R | 57.6 | Low | 57.7 | Low | 206 Ų | 206 | 129.9 Ų | 129.9 | 78% | 0.777 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.1 | -37.2 | -178.7 | -141.5 | 175.6 | -165.4 | 175.9 | 1.9 | 112.2 | F334 A335 Q341 | F334-R337 PolarHBondContact O-N 2.94Å; A335-R337 VanDerWaalsContact C-N 3.27Å; A335-R337 PolarHBondContact O-N 2.78Å; R337-Q341 PolarHBondContact O-N 3.12Å |
| 338 | S | 60.3 | Low | 58.3 | Low | 61 Ų | 61 | 133.2 Ų | 133.2 | 43% | 0.427 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -65.5 | -47.3 | 174.4 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | F334 A335 H340 Q341 Q342 | F334-S338 PolarHBondContact O-N 3.41Å; A335-S338 PolarHBondContact O-N 3.1Å; S338-H340 PolarHBondContact O-N 3.1Å; S338-Q341 PolarHBondContact O-N 3.11Å; S338-Q341 VanDerWaalsContact O-N 3.14Å; S338-Q342 PolarHBondContact O-N 3.49Å |
| 339 | Q | 59.8 | Low | 58.5 | Low | 132 Ų | 132 | 133.8 Ų | 133.8 | 62% | 0.617 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.1 | -38.8 | -179.3 | -161.6 | -169.5 | 43.3 | 0 | 0 | 112.1 | A335 Q341 Q342 L343 | A335-Q339 WeakPolarHBondContact O-CB 3.36Å; A335-Q339 PolarHBondContact O-N 2.96Å; Q339-Q341 VanDerWaalsContact C-N 3.29Å; Q339-Q341 PolarHBondContact O-N 2.99Å; Q339-Q342 PolarHBondContact O-N 3.36Å; Q339-L343 PolarHBondContact O-N 3.37Å; Q339-L343 VanDerWaalsContact O-N 3.1Å |
| 340 | H | 61.9 | Low | 58.6 | Low | 131 Ų | 131 | 134.1 Ų | 134.1 | 61% | 0.606 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -61.8 | -37.2 | 174.2 | -173.8 | 65.3 | 0 | 0 | 0 | 112.3 | I336 S338 L343 E344 | I336-H340 WeakPolarHBondContact O-CB 3.48Å; I336-H340 PolarHBondContact O-N 2.95Å; I336-H340 VanDerWaalsContact O-N 3.17Å; S338-H340 PolarHBondContact O-N 3.1Å; H340-L343 PolarHBondContact O-N 3.47Å; H340-E344 PolarHBondContact O-N 2.87Å |
| 341 | Q | 64 | Low | 58.6 | Low | 131 Ų | 131 | 131.6 Ų | 131.6 | 61% | 0.612 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.1 | -33.7 | 178 | -170.4 | 163.7 | 18.3 | 0 | 0 | 113 | R337 S338 Q339 Q345 | R337-Q341 PolarHBondContact O-N 3.12Å; S338-Q341 PolarHBondContact O-N 3.11Å; S338-Q341 VanDerWaalsContact O-N 3.14Å; Q339-Q341 VanDerWaalsContact C-N 3.29Å; Q339-Q341 PolarHBondContact O-N 2.99Å; Q341-Q345 PolarHBondContact O-N 3.2Å |
| 342 | Q | 61.2 | Low | 58.5 | Low | 125 Ų | 125 | 132.5 Ų | 132.5 | 58% | 0.584 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.4 | -34.3 | 173 | -71.6 | 178.8 | -15.2 | 0 | 0 | 112.3 | S338 Q339 E344 Q345 A346 | S338-Q342 PolarHBondContact O-N 3.49Å; Q339-Q342 PolarHBondContact O-N 3.36Å; Q342-E344 VanDerWaalsContact C-N 3.35Å; Q342-E344 PolarHBondContact O-N 3.48Å; Q342-Q345 PolarHBondContact O-N 3.13Å; Q342-A346 PolarHBondContact O-N 2.74Å |
| 343 | L | 57.8 | Low | 59 | Low | 118 Ų | 118 | 135.6 Ų | 135.6 | 62% | 0.618 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.4 | -27.4 | -178.7 | -152.6 | 136.6 | 0 | 0 | 0 | 113 | Q339 H340 | Q339-L343 PolarHBondContact O-N 3.37Å; Q339-L343 VanDerWaalsContact O-N 3.1Å; H340-L343 PolarHBondContact O-N 3.47Å |
| 344 | E | 60.2 | Low | 59.1 | Low | 107 Ų | 107 | 130.2 Ų | 130.2 | 50% | 0.5 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -78.9 | -22.7 | 171.9 | -73.3 | -86.6 | 99.3 | 0 | 0 | 113.1 | H340 Q342 R347 | H340-E344 PolarHBondContact O-N 2.87Å; Q342-E344 VanDerWaalsContact C-N 3.35Å; Q342-E344 PolarHBondContact O-N 3.48Å; E344-R347 IonicContact OE1-CZ 3.51Å; E344-R347 VanDerWaalsContact OE1-CZ 3.3Å; E344-R347 IonicContact OE1-NH1 2.73Å; E344-R347 PolarHBondContact OE1-NH1 3.02Å; E344-R347 IonicContact OE1-NH2 3.3Å; E344-R347 PolarHBondContact OE1-NH2 2.91Å |
| 345 | Q | 60.1 | Low | 59.4 | Low | 160 Ų | 160 | 126 Ų | 126 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -83.5 | -11.4 | 173.5 | -74 | -173.4 | -7.8 | 0 | 0 | 113.9 | Q341 Q342 | Q341-Q345 PolarHBondContact O-N 3.2Å; Q342-Q345 PolarHBondContact O-N 3.13Å |
| 346 | A | 58.2 | Low | 59.5 | Low | 79 Ų | 79 | 131.3 Ų | 131.3 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 12.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q342 | Q342-A346 PolarHBondContact O-N 2.74Š|
| 347 | R | 51.7 | Low | 59.6 | Low | 163 Ų | 163 | 133.6 Ų | 133.6 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | trans | -86.2 | 117.3 | 170.8 | -171.6 | -179.8 | -67.4 | 119 | 4.2 | 108.7 | E344 | E344-R347 IonicContact OE1-CZ 3.51Å; E344-R347 VanDerWaalsContact OE1-CZ 3.3Å; E344-R347 IonicContact OE1-NH1 2.73Å; E344-R347 PolarHBondContact OE1-NH1 3.02Å; E344-R347 IonicContact OE1-NH2 3.3Å; E344-R347 PolarHBondContact OE1-NH2 2.91Å | ||
| 348 | P | 62.2 | Low | 59.7 | Low | 190 Ų | 190 | 127 Ų | 127 | 100% | 1.234 | 66% | 0.656 | S | S | * | * | trans | -72.6 | 0 | 177.4 | 32.8 | -36.3 | 0 | 0 | 0 | 112.7 |
Retrieved 348 of 348 residues in 59.6 ms
(Link to these results)