| 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 | 51 | Low | 52.9 | Low | 243 Ų | 243 | 148.3 Ų | 148.3 | 100% | 1.197 | 85% | 0.85 | S | S | * | * | 0 | 117.7 | 0 | -61.8 | 166.4 | 85.3 | 0 | 0 | 106.3 | |||||
| 2 | S | 41.2 | Very low | 53.1 | Low | 133 Ų | 133 | 151.2 Ų | 151.2 | 93% | 0.93 | 86% | 0.855 | S | S | * | * | trans | -98.5 | 121.3 | -168.1 | -52.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 3 | A | 51.5 | Low | 52.8 | Low | 87 Ų | 87 | 154.1 Ų | 154.1 | 72% | 0.719 | 86% | 0.857 | S | S | * | * | trans | -103.1 | 104.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | A | 46.9 | Very low | 52.7 | Low | 97 Ų | 97 | 159.6 Ų | 159.6 | 80% | 0.802 | 86% | 0.858 | S | S | * | * | trans | -92.2 | 125.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | F | 57.8 | Low | 52.8 | Low | 198 Ų | 198 | 157.1 Ų | 157.1 | 87% | 0.868 | 85% | 0.854 | S | S | * | * | trans | -112.3 | 105.5 | 170.4 | -80.4 | -81.7 | 0 | 0 | 0 | 109.7 | ||||
| 6 | S | 55.7 | Low | 53 | Low | 111 Ų | 111 | 158.7 Ų | 158.7 | 78% | 0.776 | 86% | 0.86 | S | S | * | * | trans | -78.3 | 128.2 | 174.6 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | S8 | S6-S8 PolarHBondContact O-N 3.03Š| ||
| 7 | P | 58.5 | Low | 52.6 | Low | 111 Ų | 111 | 152.8 Ų | 152.8 | 72% | 0.721 | 85% | 0.845 | S | S | * | * | trans | -74.9 | 117.4 | 168.7 | 29.6 | -31.8 | 0 | 0 | 0 | 110.1 | F9 | P7-F9 PolarHBondContact O-N 3.23Å; P7-F9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | S | 51.3 | Low | 52.5 | Low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | -65.6 | 112 | 174.8 | -74.7 | 0 | 0 | 0 | 0 | 111.5 | S6 M10 | S6-S8 PolarHBondContact O-N 3.03Å; S8-M10 PolarHBondContact O-N 2.67Å; S8-M10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | F | 51.2 | Low | 52.5 | Low | 187 Ų | 187 | 149.6 Ų | 149.6 | 82% | 0.82 | 84% | 0.84 | S | S | * | * | trans | -67.8 | 103.3 | 167 | -98 | -94.8 | 0 | 0 | 0 | 110.2 | P7 M11 | P7-F9 PolarHBondContact O-N 3.23Å; P7-F9 VanDerWaalsContact O-N 3.16Å; F9-M11 PolarHBondContact O-N 3.37Å; F9-M11 VanDerWaalsContact O-N 3.12Å | ||
| 10 | M | 60.5 | Low | 52.4 | Low | 177 Ų | 177 | 147 Ų | 147 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -71.5 | 104 | 168.1 | -74.2 | -167.8 | 171.5 | 0 | 0 | 109.8 | S8 M12 | S8-M10 PolarHBondContact O-N 2.67Å; S8-M10 VanDerWaalsContact O-N 3.09Å; M10-M12 PolarHBondContact O-N 3Å; M10-M12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | M | 56.1 | Low | 52.3 | Low | 173 Ų | 173 | 144.2 Ų | 144.2 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | -75.4 | 95.4 | -178.3 | -53.2 | 174 | -152.5 | 0 | 0 | 110 | F9 Q13 | F9-M11 PolarHBondContact O-N 3.37Å; F9-M11 VanDerWaalsContact O-N 3.12Å; M11-Q13 PolarHBondContact O-N 3.29Å | ||
| 12 | M | 55.3 | Low | 52.2 | Low | 183 Ų | 183 | 141.2 Ų | 141.2 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -67.2 | 100.5 | 170.4 | -74.2 | -170.5 | 175.1 | 0 | 0 | 110 | M10 R14 | M10-M12 PolarHBondContact O-N 3Å; M10-M12 VanDerWaalsContact O-N 3.1Å; M12-R14 PolarHBondContact O-N 3.13Å | ||
| 13 | Q | 49.4 | Very low | 52.6 | Low | 189 Ų | 189 | 139 Ų | 139 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.1 | 171.2 | -64.4 | -174.4 | 25.8 | 0 | 0 | 109.5 | M11 | M11-Q13 PolarHBondContact O-N 3.29Š|
| 14 | R | 51 | Low | 52.8 | Low | 232 Ų | 232 | 141.1 Ų | 141.1 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 127.4 | 166.9 | -71.6 | 179.6 | 174.8 | 160.2 | -1.3 | 108.3 | M12 L16 | M12-R14 PolarHBondContact O-N 3.13Å; R14-L16 PolarHBondContact O-N 3.39Å |
| 15 | P | 55 | Low | 53.2 | Low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 137.8 | 174.6 | -25.7 | 35 | 0 | 0 | 0 | 111.6 | G17 | P15-G17 PolarHBondContact O-N 3.36Š|
| 16 | L | 55.5 | Low | 53.1 | Low | 182 Ų | 182 | 139.2 Ų | 139.2 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | trans | -75.4 | 72.4 | 173.6 | -69.1 | 172.6 | 0 | 0 | 0 | 110.4 | R14 S18 | R14-L16 PolarHBondContact O-N 3.39Å; L16-S18 PolarHBondContact O-N 2.93Å | ||
| 17 | G | 46.7 | Very low | 53.1 | Low | 59 Ų | 59 | 141.1 Ų | 141.1 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | -69.5 | 115 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P15 T19 | P15-G17 PolarHBondContact O-N 3.36Å; G17-T19 PolarHBondContact O-N 2.84Å; G17-T19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | S | 50.3 | Low | 53 | Low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -60.5 | 114.8 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | L16 T20 | L16-S18 PolarHBondContact O-N 2.93Å; S18-T20 VanDerWaalsContact C-N 3.28Å; S18-T20 PolarHBondContact O-N 2.98Å | ||
| 19 | T | 52.3 | Low | 53.1 | Low | 136 Ų | 136 | 139.8 Ų | 139.8 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -80.5 | 77.1 | 177.7 | 60.6 | 0 | 0 | 0 | 0 | 109.8 | G17 A21 | G17-T19 PolarHBondContact O-N 2.84Å; G17-T19 VanDerWaalsContact O-N 3.15Å; T19-A21 PolarHBondContact O-N 3.37Å | ||
| 20 | T | 51.6 | Low | 53.8 | Low | 98 Ų | 98 | 134 Ų | 134 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | trans | -62.4 | 101.4 | 166.9 | 55.8 | 0 | 0 | 0 | 0 | 108.2 | S18 F22 | S18-T20 VanDerWaalsContact C-N 3.28Å; S18-T20 PolarHBondContact O-N 2.98Å; T20-F22 WeakPolarHBondContact O-CD2 3.3Å; T20-F22 PolarHBondContact O-N 3.23Å | ||
| 21 | A | 49.2 | Very low | 53.8 | Low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -65.6 | 105.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T19 S23 | T19-A21 PolarHBondContact O-N 3.37Å; A21-S23 VanDerWaalsContact C-N 3.31Å; A21-S23 PolarHBondContact O-N 3.07Å | ||
| 22 | F | 48.2 | Very low | 54 | Low | 180 Ų | 180 | 129 Ų | 129 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | trans | -70 | 90.2 | 171.1 | -82.5 | -90.1 | 0 | 0 | 0 | 109.1 | T20 I24 | T20-F22 WeakPolarHBondContact O-CD2 3.3Å; T20-F22 PolarHBondContact O-N 3.23Å; F22-I24 PolarHBondContact O-N 3.12Å | ||
| 23 | S | 51.5 | Low | 54.4 | Low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -58.9 | 108.3 | 169.9 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | A21 D25 S26 | A21-S23 VanDerWaalsContact C-N 3.31Å; A21-S23 PolarHBondContact O-N 3.07Å; S23-D25 PolarHBondContact O-N 2.86Å; S23-D25 VanDerWaalsContact O-N 3.09Å; S23-S26 PolarHBondContact O-N 3.36Å | ||
| 24 | I | 55.5 | Low | 54.7 | Low | 130 Ų | 130 | 125.3 Ų | 125.3 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -62.2 | -20.8 | -175.6 | -35.8 | 179.9 | 0 | 0 | 0 | 111.6 | F22 S26 L27 | F22-I24 PolarHBondContact O-N 3.12Å; I24-S26 PolarHBondContact O-N 3.06Å; I24-L27 PolarHBondContact O-N 3Å |
| 25 | D | 55.4 | Low | 54.9 | Low | 142 Ų | 142 | 119.2 Ų | 119.2 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -55.7 | -29.1 | 179.7 | -146.8 | -122.8 | 0 | 0 | 0 | 113.9 | S23 | S23-D25 PolarHBondContact O-N 2.86Å; S23-D25 VanDerWaalsContact O-N 3.09Å |
| 26 | S | 54.6 | Low | 55.2 | Low | 113 Ų | 113 | 119.9 Ų | 119.9 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -85.4 | -2.3 | 178.5 | -52 | 0 | 0 | 0 | 0 | 114.8 | S23 I24 | S23-S26 PolarHBondContact O-N 3.36Å; I24-S26 PolarHBondContact O-N 3.06Å |
| 27 | L | 55.7 | Low | 55 | Low | 152 Ų | 152 | 113.4 Ų | 113.4 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -102.4 | -9.9 | 176.5 | -93 | 162.5 | 0 | 0 | 0 | 113.4 | I24 | I24-L27 PolarHBondContact O-N 3Š|
| 28 | I | 56 | Low | 55.6 | Low | 127 Ų | 127 | 118.9 Ų | 118.9 | 65% | 0.651 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -102.3 | 101.2 | 175.2 | -61.1 | 171.5 | 0 | 0 | 0 | 107.1 | G30 | I28-G30 PolarHBondContact O-N 2.93Š|
| 29 | G | 53.3 | Low | 55.6 | Low | 69 Ų | 69 | 123 Ų | 123 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 132.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 30 | G | 66.4 | Low | 55.9 | Low | 65 Ų | 65 | 122 Ų | 122 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 148.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I28 | I28-G30 PolarHBondContact O-N 2.93Š|
| 31 | P | 61.6 | Low | 55.8 | Low | 123 Ų | 123 | 126.8 Ų | 126.8 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 133.1 | -171.6 | 23.7 | -34.1 | 0 | 0 | 0 | 111.1 | Q33 | P31-Q33 PolarHBondContact O-N 3.06Š|
| 32 | P | 60.3 | Low | 56.3 | Low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 137.8 | -179.4 | 26.7 | -34.2 | 0 | 0 | 0 | 110.6 | ||
| 33 | Q | 62.5 | Low | 56.3 | Low | 177 Ų | 177 | 121.6 Ų | 121.6 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138.6 | 173.6 | -72.8 | -77.1 | 25.1 | 0 | 0 | 110.5 | P31 S35 | P31-Q33 PolarHBondContact O-N 3.06Å; Q33-S35 PolarHBondContact O-N 3.29Å |
| 34 | P | 56 | Low | 56.6 | Low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | trans | -69.8 | 105 | -179.8 | 28.2 | -33.4 | 0 | 0 | 0 | 110.5 | ||||
| 35 | S | 55.7 | Low | 56.9 | Low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -64 | 137.2 | 167.8 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | Q33 G37 | Q33-S35 PolarHBondContact O-N 3.29Å; S35-G37 PolarHBondContact O-N 2.94Å | ||
| 36 | P | 61.5 | Low | 57.2 | Low | 137 Ų | 137 | 127.4 Ų | 127.4 | 89% | 0.89 | 73% | 0.734 | S | S | * | * | trans | -74.5 | 63.8 | 179 | 31.7 | -35.9 | 0 | 0 | 0 | 111.9 | ||||
| 37 | G | 51.8 | Low | 57.5 | Low | 46 Ų | 46 | 131.1 Ų | 131.1 | 47% | 0.474 | 74% | 0.737 | S | S | . | * | trans | -96 | 131.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | S35 F39 | S35-G37 PolarHBondContact O-N 2.94Å; G37-F39 PolarHBondContact O-N 3.44Å | ||
| 38 | H | 58.4 | Low | 58 | Low | 174 Ų | 174 | 131.6 Ų | 131.6 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | trans | -72 | 93.9 | -178.1 | -175.9 | 86 | 0 | 0 | 0 | 111.6 | V40 | H38-V40 PolarHBondContact O-N 3.48Å; H38-V40 VanDerWaalsContact O-N 3.09Å | ||
| 39 | F | 50.6 | Low | 58.3 | Low | 194 Ų | 194 | 130.7 Ų | 130.7 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -68 | 103.5 | 172.6 | -90.4 | -89.5 | 0 | 0 | 0 | 111 | G37 Y41 | G37-F39 PolarHBondContact O-N 3.44Å; F39-Y41 PolarHBondContact O-N 3.06Å | ||
| 40 | V | 57.8 | Low | 58.4 | Low | 115 Ų | 115 | 138.4 Ų | 138.4 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | trans | -68.3 | 79.6 | 161 | -80 | 0 | 0 | 0 | 0 | 109.8 | H38 T42 | H38-V40 PolarHBondContact O-N 3.48Å; H38-V40 VanDerWaalsContact O-N 3.09Å; V40-T42 PolarHBondContact O-N 2.89Å | ||
| 41 | Y | 49.8 | Very low | 58.1 | Low | 198 Ų | 198 | 146.1 Ų | 146.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -66.6 | 97.8 | 175.2 | 176.8 | -118.1 | 0 | 0 | 0 | 109.9 | F39 G43 | F39-Y41 PolarHBondContact O-N 3.06Å; Y41-G43 PolarHBondContact O-N 3.37Å | ||
| 42 | T | 59.3 | Low | 57.8 | Low | 136 Ų | 136 | 145.6 Ų | 145.6 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -73.8 | 40.9 | 170.2 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | V40 | V40-T42 PolarHBondContact O-N 2.89Š| ||
| 43 | G | 48.7 | Very low | 57.6 | Low | 25 Ų | 25 | 145.4 Ų | 145.4 | 26% | 0.258 | 75% | 0.753 | S | S | . | * | trans | -73.6 | 131.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y41 P45 | Y41-G43 PolarHBondContact O-N 3.37Å; G43-P45 WeakPolarHBondContact O-CD 3.43Å | ||
| 44 | Y | 57.4 | Low | 57.8 | Low | 212 Ų | 212 | 143.3 Ų | 143.3 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -57.7 | 120.3 | 165.7 | -74.4 | -95.2 | 0 | 0 | 0 | 109.2 | M46 | Y44-M46 VanDerWaalsContact C-N 3.31Å; Y44-M46 PolarHBondContact O-N 3.01Å | ||
| 45 | P | 61.4 | Low | 58.1 | Low | 99 Ų | 99 | 144 Ų | 144 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | trans | -75.1 | 87.4 | 177.9 | 30.7 | -33.7 | 0 | 0 | 0 | 109.2 | G43 F47 | G43-P45 WeakPolarHBondContact O-CD 3.43Å; P45-F47 PolarHBondContact O-N 3.02Å | ||
| 46 | M | 62.2 | Low | 58.8 | Low | 169 Ų | 169 | 144 Ų | 144 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -66.3 | 17.1 | 173.1 | -74.3 | -62.9 | -61.1 | 0 | 0 | 114 | Y44 | Y44-M46 VanDerWaalsContact C-N 3.31Å; Y44-M46 PolarHBondContact O-N 3.01Å |
| 47 | F | 62.2 | Low | 59.3 | Low | 191 Ų | 191 | 143.1 Ų | 143.1 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -138.9 | 84.2 | 167.3 | -98.5 | -91.2 | 0 | 0 | 0 | 108.3 | P45 P49 | P45-F47 PolarHBondContact O-N 3.02Å; F47-P49 VanDerWaalsContact O-CD 3.26Å; F47-P49 WeakPolarHBondContact O-CD 3.35Å | ||
| 48 | M | 64.6 | Low | 59.7 | Low | 162 Ų | 162 | 148.8 Ų | 148.8 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | -74.9 | 112.8 | 154.8 | -74.7 | 179.5 | 65.3 | 0 | 0 | 107.3 | Y50 | M48-Y50 PolarHBondContact O-N 3.31Š| ||
| 49 | P | 63.4 | Low | 60.3 | Low | 108 Ų | 108 | 146.1 Ų | 146.1 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -63.2 | 131 | 167.4 | 27.9 | -33 | 0 | 0 | 0 | 108 | F47 R51 | F47-P49 VanDerWaalsContact O-CD 3.26Å; F47-P49 WeakPolarHBondContact O-CD 3.35Å; P49-R51 PolarHBondContact O-N 3Å | ||
| 50 | Y | 55.9 | Low | 61.5 | Low | 232 Ų | 232 | 142.4 Ų | 142.4 | 91% | 0.91 | 75% | 0.747 | S | S | * | * | trans | -56.8 | 103.9 | -178.7 | -70.8 | -88.1 | 0 | 0 | 0 | 110.6 | M48 S52 | M48-Y50 PolarHBondContact O-N 3.31Å; Y50-S52 PolarHBondContact O-N 3.11Å | ||
| 51 | R | 58.3 | Low | 62.2 | Low | 227 Ų | 227 | 142.4 Ų | 142.4 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | -66.3 | 111.4 | 161.1 | -81.3 | -74.6 | -172.3 | -124.1 | 2 | 106.5 | P49 V53 | P49-R51 PolarHBondContact O-N 3Å; R51-V53 PolarHBondContact O-N 2.66Å | ||
| 52 | S | 55.9 | Low | 63.2 | Low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | -56 | 106.2 | 170 | -54.3 | 0 | 0 | 0 | 0 | 108.8 | Y50 V54 | Y50-S52 PolarHBondContact O-N 3.11Å; S52-V54 PolarHBondContact O-N 2.65Å | ||
| 53 | V | 56.8 | Low | 63.7 | Low | 119 Ų | 119 | 137.8 Ų | 137.8 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | trans | -69.4 | 104.8 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | R51 L55 | R51-V53 PolarHBondContact O-N 2.66Å; V53-L55 VanDerWaalsContact C-N 3.3Å; V53-L55 HydrophobicContact CG1-CD1 4.12Å; V53-L55 PolarHBondContact O-N 2.9Å | ||
| 54 | V | 66.5 | Low | 64.2 | Low | 133 Ų | 133 | 141.3 Ų | 141.3 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -65.7 | 98 | 165.7 | 177.4 | 0 | 0 | 0 | 0 | 106.1 | S52 | S52-V54 PolarHBondContact O-N 2.65Š| ||
| 55 | L | 62 | Low | 64.1 | Low | 131 Ų | 131 | 138.7 Ų | 138.7 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -57 | 133.6 | 168.4 | -108.4 | 68 | 0 | 0 | 0 | 107.9 | V53 | V53-L55 VanDerWaalsContact C-N 3.3Å; V53-L55 HydrophobicContact CG1-CD1 4.12Å; V53-L55 PolarHBondContact O-N 2.9Å |
| 56 | P | 70.4 | Confident | 63.8 | Low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 142.8 | 166.5 | 27.1 | -33.3 | 0 | 0 | 0 | 108.7 | ||
| 57 | P | 71.7 | Confident | 63.4 | Low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60 | 143.7 | -179.7 | 25.5 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 58 | H | 61 | Low | 62.6 | Low | 166 Ų | 166 | 136.4 Ų | 136.4 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 141.6 | 177.6 | -5.4 | -82.6 | 0 | 0 | 0 | 110.1 | ||
| 59 | P | 71.2 | Confident | 61.7 | Low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 144.3 | 173.2 | 27.1 | -34.3 | 0 | 0 | 0 | 110 | ||
| 60 | P | 75.4 | Confident | 60.6 | Low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 150.5 | 178.5 | 27.6 | -34.9 | 0 | 0 | 0 | 110.9 | ||
| 61 | P | 72.4 | Confident | 60.1 | Low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 149.1 | 173.3 | 27.6 | -34.8 | 0 | 0 | 0 | 110.6 | ||
| 62 | P | 70 | Confident | 59.3 | Low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 145.3 | 176.8 | 26.8 | -34.7 | 0 | 0 | 0 | 110.6 | A64 | P62-A64 PolarHBondContact O-N 3.41Š|
| 63 | P | 70.1 | Confident | 58.3 | Low | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 131.7 | 179.3 | 26.4 | -34.2 | 0 | 0 | 0 | 110.4 | L65 | P63-L65 PolarHBondContact O-N 3.1Š|
| 64 | A | 59.3 | Low | 57.4 | Low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 118.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P62 | P62-A64 PolarHBondContact O-N 3.41Š|
| 65 | L | 54.8 | Low | 55.9 | Low | 157 Ų | 157 | 130.3 Ų | 130.3 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.7 | 175.3 | -70.1 | 171.9 | 0 | 0 | 0 | 109.5 | P63 Q67 | P63-L65 PolarHBondContact O-N 3.1Å; L65-Q67 PolarHBondContact O-N 3.29Å |
| 66 | P | 56 | Low | 54.7 | Low | 106 Ų | 106 | 128.1 Ų | 128.1 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | trans | -70.8 | 113.8 | -175.8 | 27.1 | -33.9 | 0 | 0 | 0 | 111.5 | S68 | P66-S68 VanDerWaalsContact C-N 3.25Å; P66-S68 PolarHBondContact O-N 2.92Å | ||
| 67 | Q | 52.8 | Low | 53.3 | Low | 203 Ų | 203 | 129.4 Ų | 129.4 | 95% | 0.949 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -75.1 | 69.9 | 172.3 | -72.7 | -167.1 | -9.5 | 0 | 0 | 111.9 | L65 | L65-Q67 PolarHBondContact O-N 3.29Š|
| 68 | S | 45.7 | Very low | 52.2 | Low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -161.5 | 67.9 | 175.3 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | P66 | P66-S68 VanDerWaalsContact C-N 3.25Å; P66-S68 PolarHBondContact O-N 2.92Å | ||
| 69 | A | 45 | Very low | 52 | Low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -153.5 | 34.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 70 | L | 41.4 | Very low | 50.3 | Low | 155 Ų | 155 | 131.7 Ų | 131.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -151.7 | 89.2 | 157.8 | -128.5 | 174.9 | 0 | 0 | 0 | 113.3 | ||||
| 71 | Q | 45.7 | Very low | 48.9 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -88.1 | 116.5 | 170.8 | -176.4 | 82.8 | 65.9 | 0 | 0 | 109.8 | ||||
| 72 | Q | 41 | Very low | 47.2 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -172.4 | 119 | 159.2 | -107.5 | 150 | 99.3 | 0 | 0 | 109.1 | ||||
| 73 | G | 35.3 | Very low | 45.9 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 154.3 | 33.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 74 | L | 37.5 | Very low | 45.1 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | 44 | 128.2 | 152.2 | -53.5 | 175.2 | 0 | 0 | 0 | 122.1 | ||||
| 75 | S | 35 | Very low | 44.3 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 64.8 | 145.9 | 148.9 | 45 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 76 | A | 37.5 | Very low | 43.8 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | cis | -162 | 178.7 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 77 | T | 40.6 | Very low | 43.1 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 64.1 | 103.4 | 162.4 | 56.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 78 | H | 48.1 | Very low | 42.6 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | 28.8 | 160.6 | 118.6 | -95.8 | -102 | 0 | 0 | 0 | 122.6 | |||||
| 79 | P | 56.2 | Low | 42.4 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | cis | -119.4 | 146 | -23 | 9.7 | 14.9 | 0 | 0 | 0 | 113.1 | ||||
| 80 | H | 36.5 | Very low | 42.2 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | 68.3 | 102.9 | 83.9 | -170.3 | -76.9 | 0 | 0 | 0 | 118.4 | |||||
| 81 | H | 44.8 | Very low | 42.1 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | -160.6 | 159.9 | 116 | 58.2 | -79.7 | 0 | 0 | 0 | 111.4 | |||||
| 82 | Q | 37.9 | Very low | 42.1 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -106.8 | 160.6 | -173.2 | -65.2 | -178.8 | -10 | 0 | 0 | 112.8 | ||||
| 83 | I | 43 | Very low | 42 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -125.5 | 122.3 | 156 | -58.2 | 177.5 | 0 | 0 | 0 | 107.4 | ||||
| 84 | P | 51.7 | Low | 42.5 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -83.3 | 157.8 | 177.7 | 33.9 | -34.7 | 0 | 0 | 0 | 112.5 | ||||
| 85 | S | 44.6 | Very low | 42.6 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -103.1 | 142.5 | -178.3 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 86 | L | 43.3 | Very low | 42.9 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -137.6 | 108 | 158.5 | -66.9 | 174.7 | 0 | 0 | 0 | 106 | ||||
| 87 | Q | 41.3 | Very low | 43 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | 60.4 | 99.1 | 81.8 | -76.5 | -154.5 | -36.2 | 0 | 0 | 115.4 | |||||
| 88 | N | 42.4 | Very low | 43.2 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | 49.8 | 116.7 | 135.3 | -67.9 | 15.3 | 0 | 0 | 0 | 121.8 | ||||
| 89 | S | 42.1 | Very low | 42.8 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | 100.6 | 162.7 | 126.8 | -155.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 90 | F | 39.2 | Very low | 42.5 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | 75.9 | 98.4 | 170 | -66 | -77.1 | 0 | 0 | 0 | 119.9 | ||||
| 91 | C | 40.7 | Very low | 42.9 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 72% | 0.716 | 81% | 0.807 | S | S | * | * | 58.1 | 115.6 | 123.3 | -61 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 92 | S | 45.5 | Very low | 42.6 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | 33.9 | 99.6 | 127 | -50.6 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 93 | S | 38.4 | Very low | 43.1 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | -162.4 | 134.2 | 128.3 | -156.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 94 | L | 45.5 | Very low | 43.3 | Very low | 171 Ų | 171 | 136 Ų | 136 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | 11.6 | 102.6 | 143.8 | -168.4 | 74.1 | 0 | 0 | 0 | 119 | ||||
| 95 | A | 39.4 | Very low | 42.9 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -149 | 128.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 96 | Q | 41.5 | Very low | 42.5 | Very low | 204 Ų | 204 | 138.1 Ų | 138.1 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | trans | -38.6 | 142 | 171 | -63.5 | 147.2 | -10.3 | 0 | 0 | 116.3 | ||||
| 97 | G | 41.3 | Very low | 42.3 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -156 | 56.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 98 | M | 44.1 | Very low | 42.7 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 89% | 0.892 | 81% | 0.81 | S | S | * | * | trans | 29.6 | 123.4 | 165.7 | -49.4 | -156.3 | 86.7 | 0 | 0 | 120.7 | ||||
| 99 | A | 40 | Very low | 43.2 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -71.6 | 142.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 100 | L | 50.1 | Low | 42.7 | Very low | 172 Ų | 172 | 132 Ų | 132 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -106.1 | 97.2 | 166.4 | -67 | -178.3 | 0 | 0 | 0 | 110.1 | ||||
| 101 | T | 44 | Very low | 42.9 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -81.7 | 125.3 | 169.6 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 102 | S | 39 | Very low | 42.5 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -120.3 | 57.8 | 170.3 | -70 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 103 | T | 47.4 | Very low | 42.1 | Very low | 116 Ų | 116 | 132 Ų | 132 | 71% | 0.712 | 82% | 0.823 | S | S | * | * | trans | -89 | 98.7 | 168.1 | -56 | 0 | 0 | 0 | 0 | 108.7 | M105 | T103-M105 PolarHBondContact O-N 2.71Š| ||
| 104 | L | 47.7 | Very low | 41.9 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | trans | -75.3 | 108.5 | 174 | -75.9 | 173.9 | 0 | 0 | 0 | 110.4 | ||||
| 105 | M | 43.7 | Very low | 41.3 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 80% | 0.803 | 81% | 0.812 | S | S | * | * | trans | -88 | 130.1 | 175.1 | -73.1 | -91.5 | -80.9 | 0 | 0 | 111 | T103 | T103-M105 PolarHBondContact O-N 2.71Š| ||
| 106 | A | 36.9 | Very low | 41.1 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -148.7 | 127.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 107 | S | 39 | Very low | 40.7 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | trans | -150.1 | 118.5 | -164.9 | -176 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 108 | L | 48.6 | Very low | 40.4 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 62.5 | -178.4 | 149.9 | -63.7 | 178.8 | 0 | 0 | 0 | 115.2 | ||||
| 109 | P | 52.3 | Low | 40.1 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | cis | -126.4 | -179.9 | -3.7 | 42.4 | -27.8 | 0 | 0 | 0 | 114.8 | ||||
| 110 | G | 33.1 | Very low | 39.9 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 153.5 | 76.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 111 | G | 42.1 | Very low | 39.2 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -109.3 | 128.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 112 | F | 32.5 | Very low | 39 | Very low | 214 Ų | 214 | 133.2 Ų | 133.2 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | -137.7 | 162.8 | 171.1 | -80.4 | -79.1 | 0 | 0 | 0 | 110.7 | ||||
| 113 | S | 37.2 | Very low | 39.1 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -134.6 | 173.8 | -166.9 | -171 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 114 | A | 34.6 | Very low | 39 | Very low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | 83.8 | 107.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 115 | S | 33.8 | Very low | 38.3 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | 77.7 | 118.1 | 119.7 | -136.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 116 | Q | 33.6 | Very low | 37.7 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | 65.1 | 103.1 | 123.1 | -171.5 | -178.7 | 43.3 | 0 | 0 | 121.7 | |||||
| 117 | Q | 34.4 | Very low | 37.5 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | -173 | 123.6 | 125.4 | -100.3 | 175 | 0.9 | 0 | 0 | 107.4 | |||||
| 118 | H | 34.2 | Very low | 37.2 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | 87.9 | 105.4 | 65.2 | 179.6 | 87.6 | 0 | 0 | 0 | 113.9 | |||||
| 119 | Q | 38.6 | Very low | 36.5 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -161.5 | 152.7 | 132.8 | -117.3 | 174.9 | 20.3 | 0 | 0 | 112.3 | ||||
| 120 | E | 35.9 | Very low | 35.8 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 77% | 0.771 | 81% | 0.812 | S | S | * | * | trans | -93.1 | 152.7 | -179.7 | -67 | 169.7 | 63.9 | 0 | 0 | 112.9 | ||||
| 121 | A | 35.1 | Very low | 35.9 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -154.4 | 99.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 122 | A | 39.8 | Very low | 35.5 | Very low | 92 Ų | 92 | 150.4 Ų | 150.4 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -135.1 | 104.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 123 | R | 41.6 | Very low | 35.7 | Very low | 250 Ų | 250 | 143.9 Ų | 143.9 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | trans | -144.1 | 123.1 | 157.9 | -63.2 | -170.6 | -179.1 | -178.9 | 1.4 | 107.8 | ||||
| 124 | K | 43.8 | Very low | 35.3 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | cis | 97.4 | 79.2 | 30.2 | -168.4 | -165.2 | 176.3 | -178.8 | 0 | 114 | ||||
| 125 | F | 33.3 | Very low | 35.4 | Very low | 213 Ų | 213 | 150.9 Ų | 150.9 | 93% | 0.934 | 82% | 0.815 | S | S | * | * | trans | -144.3 | 138 | 140.4 | -70.2 | -76.1 | 0 | 0 | 0 | 104.4 | ||||
| 126 | G | 30.7 | Very low | 35.4 | Very low | 73 Ų | 73 | 154.8 Ų | 154.8 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | 96.1 | 133.6 | 53.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 127 | S | 33.9 | Very low | 35.7 | Very low | 104 Ų | 104 | 151.5 Ų | 151.5 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | -173.2 | 166.2 | -4 | 44.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 128 | Q | 32.8 | Very low | 35.6 | Very low | 172 Ų | 172 | 152.3 Ų | 152.3 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 67.9 | 137.8 | 179.4 | -41.6 | -58.5 | 44.1 | 0 | 0 | 114.1 | ||||
| 129 | S | 33.3 | Very low | 35.7 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | cis | 71.6 | 97.5 | 14.6 | -159.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 130 | L | 37.5 | Very low | 35.5 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -137.2 | 145.6 | 144.7 | -87.6 | -172.9 | 0 | 0 | 0 | 111.6 | ||||
| 131 | H | 35.2 | Very low | 35.8 | Very low | 177 Ų | 177 | 152.8 Ų | 152.8 | 82% | 0.819 | 82% | 0.819 | S | S | * | * | trans | -97.5 | 139.9 | -175.5 | -143 | -106.5 | 0 | 0 | 0 | 109.4 | ||||
| 132 | A | 34.2 | Very low | 36 | Very low | 109 Ų | 109 | 155.8 Ų | 155.8 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -147.4 | 72.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 133 | A | 36 | Very low | 35.9 | Very low | 77 Ų | 77 | 158.9 Ų | 158.9 | 64% | 0.636 | 82% | 0.823 | S | S | * | * | trans | -91.1 | 137.7 | 163 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 134 | F | 28.3 | Very low | 35.6 | Very low | 212 Ų | 212 | 150 Ų | 150 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -138.9 | 143.5 | 161 | -131.7 | -87.7 | 0 | 0 | 0 | 110.5 | ||||
| 135 | N | 38.4 | Very low | 35.4 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -157 | 170.9 | -174.4 | -162.3 | -27.5 | 0 | 0 | 0 | 107.7 | ||||
| 136 | K | 33.4 | Very low | 35.8 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 81% | 0.809 | 81% | 0.805 | S | S | * | * | trans | 87.1 | 89.8 | 170.7 | -157.4 | 175.4 | -177.3 | 179.8 | 0 | 117.6 | ||||
| 137 | S | 38.9 | Very low | 36.1 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 12.1 | 140.3 | 130.7 | -33.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 138 | Q | 32.4 | Very low | 36.6 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 95% | 0.949 | 81% | 0.809 | S | S | * | * | -150.6 | 174.1 | 122.1 | -127.2 | 173.9 | -9.7 | 0 | 0 | 113.7 | |||||
| 139 | D | 36 | Very low | 36.7 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 68% | 0.684 | 81% | 0.811 | S | S | * | * | trans | -94.4 | 154.1 | -161.6 | -160.8 | -79.8 | 0 | 0 | 0 | 113.2 | ||||
| 140 | I | 35.6 | Very low | 36.6 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -170 | 153.3 | 139.9 | -104.7 | 160.8 | 0 | 0 | 0 | 111.2 | ||||
| 141 | R | 42.4 | Very low | 36.7 | Very low | 214 Ų | 214 | 151.2 Ų | 151.2 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | -111.1 | 157.7 | -174.3 | -56.8 | 167.6 | 66.5 | -177.8 | 1.6 | 112.2 | ||||
| 142 | L | 39.1 | Very low | 36.5 | Very low | 171 Ų | 171 | 146 Ų | 146 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | 165.4 | 130.3 | 152.5 | -89.3 | 163.4 | 0 | 0 | 0 | 106 | ||||
| 143 | D | 36.6 | Very low | 36.5 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | cis | 105.7 | 138.7 | 23.7 | -152 | -81.6 | 0 | 0 | 0 | 113.5 | ||||
| 144 | G | 36.3 | Very low | 36.4 | Very low | 63 Ų | 63 | 151.8 Ų | 151.8 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | 85.2 | 132.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 145 | D | 39.3 | Very low | 36.6 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | cis | 72.7 | 127.5 | 7.4 | -143.8 | -108.2 | 0 | 0 | 0 | 116 | ||||
| 146 | D | 41 | Very low | 36.4 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | cis | -155.2 | 171.8 | -17.1 | 173.4 | -126 | 0 | 0 | 0 | 108.7 | ||||
| 147 | G | 37.3 | Very low | 36.5 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 177.6 | 129.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 148 | K | 45.1 | Very low | 36.2 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -106.8 | 136.5 | 166.4 | -66.2 | 169 | 179.6 | 163.1 | 0 | 112.8 | ||||
| 149 | T | 34.3 | Very low | 37.2 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -150.7 | 134.4 | 151.3 | 47.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 150 | F | 31.4 | Very low | 36.9 | Very low | 192 Ų | 192 | 139.2 Ų | 139.2 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | cis | 72.5 | 139 | 30.7 | -156.9 | -91.5 | 0 | 0 | 0 | 115.1 | ||||
| 151 | L | 40 | Very low | 36.7 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 81 | 135 | -158.4 | -55.8 | 167.9 | 0 | 0 | 0 | 113.4 | ||||
| 152 | G | 30.7 | Very low | 36.4 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | cis | 95.5 | 90.7 | -14 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 153 | K | 34.3 | Very low | 36 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -164.4 | 146.1 | 150 | -167.3 | 73.1 | -176.4 | 161 | 0 | 110.9 | ||||
| 154 | E | 32.8 | Very low | 35.9 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | trans | -82.1 | 148 | 176.6 | 62.6 | -73.7 | -5.8 | 0 | 0 | 114.3 | ||||
| 155 | S | 33.6 | Very low | 35.8 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -165.1 | 128.3 | 156.2 | -74.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 156 | A | 34.9 | Very low | 36.1 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | cis | 105.2 | 99.6 | 30.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 157 | T | 34 | Very low | 35.8 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | 44.1 | 111.2 | 148 | 50.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 158 | L | 33.5 | Very low | 35.7 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | 39.1 | 162 | 115.7 | -54.2 | 178.7 | 0 | 0 | 0 | 121.2 | |||||
| 159 | P | 53.3 | Low | 34.9 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | -138.3 | 174.9 | -52.2 | 40.8 | -25.1 | 0 | 0 | 0 | 112.8 | |||||
| 160 | S | 28.6 | Very low | 34.9 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -163.5 | 168.6 | 146.3 | -154.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 161 | Y | 31.8 | Very low | 35 | Very low | 196 Ų | 196 | 130.3 Ų | 130.3 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -101 | 158.8 | -164.6 | -67.4 | -103.3 | 0 | 0 | 0 | 114 | ||||
| 162 | H | 37.5 | Very low | 34.8 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | trans | 38.5 | 144.1 | 144.7 | -75.3 | -97.2 | 0 | 0 | 0 | 120.5 | ||||
| 163 | D | 29.8 | Very low | 34.9 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | cis | -156.7 | -166.8 | 16.4 | -147.8 | -125.4 | 0 | 0 | 0 | 108.2 | ||||
| 164 | S | 34.6 | Very low | 35 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | cis | -152.6 | 168.9 | 9.7 | -69 | 0 | 0 | 0 | 0 | 112 | ||||
| 165 | E | 33.5 | Very low | 35.2 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -73.9 | 160.4 | 158.3 | -101.8 | -70.6 | 116.4 | 0 | 0 | 111.5 | L167 | E165-L167 PolarHBondContact OE2-N 2.93Š| ||
| 166 | P | 46.9 | Very low | 35.3 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | -157.8 | 150 | 68.8 | 39.2 | -15.9 | 0 | 0 | 0 | 121.9 | |||||
| 167 | L | 33.5 | Very low | 35.7 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | 80.8 | 113.7 | 133.7 | -70.4 | 168.1 | 0 | 0 | 0 | 124.7 | E165 | E165-L167 PolarHBondContact OE2-N 2.93Š| ||
| 168 | Q | 35.9 | Very low | 35.7 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | 80.1 | 128.5 | 122.6 | -82.2 | -174.7 | 21.7 | 0 | 0 | 127 | |||||
| 169 | S | 27.1 | Very low | 36.4 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 80.6 | 157.1 | 142.9 | 106.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 170 | S | 34.3 | Very low | 36.4 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | cis | -157 | 174.4 | 7.1 | -88.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 171 | T | 33.8 | Very low | 36.9 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | 75.6 | 148.8 | 164 | 74.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 172 | A | 36.4 | Very low | 37.2 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | cis | -152.2 | 170.9 | -11 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 173 | R | 33.3 | Very low | 37.7 | Very low | 242 Ų | 242 | 142.3 Ų | 142.3 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -90 | 148.6 | 176.8 | -66.9 | 173.9 | 170.7 | 172.5 | -4.7 | 113.1 | ||||
| 174 | T | 35.3 | Very low | 38.4 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | trans | -138.9 | 171 | 131.9 | 47.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 175 | H | 38.5 | Very low | 38.7 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -135.7 | 139.5 | -166.8 | -159.5 | 57.8 | 0 | 0 | 0 | 110.4 | ||||
| 176 | G | 34 | Very low | 38.8 | Very low | 68 Ų | 68 | 143.2 Ų | 143.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -166.4 | 131.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 177 | K | 44.9 | Very low | 39 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 81% | 0.809 | 79% | 0.787 | S | S | * | * | trans | -78.5 | 176.6 | 159.9 | -71.8 | 177 | 176.7 | 179.6 | 0 | 107.2 | ||||
| 178 | E | 33.7 | Very low | 39.7 | Very low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | cis | -154.5 | 153.4 | 32.9 | -23.3 | -166.9 | 92.2 | 0 | 0 | 112.2 | ||||
| 179 | D | 46.8 | Very low | 39.9 | Very low | 158 Ų | 158 | 152 Ų | 152 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -88.2 | 170.1 | 170.6 | -90.5 | -75 | 0 | 0 | 0 | 110.8 | ||||
| 180 | P | 54.3 | Low | 40.7 | Very low | 103 Ų | 103 | 155 Ų | 155 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | cis | -141.3 | -172 | 17.8 | 44.1 | -26.4 | 0 | 0 | 0 | 116.9 | ||||
| 181 | K | 40.1 | Very low | 41.5 | Very low | 163 Ų | 163 | 155.3 Ų | 155.3 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | 75.3 | 149.6 | 155.8 | -79.4 | 170.9 | 152.5 | -110.1 | 0 | 117.9 | ||||
| 182 | E | 37.9 | Very low | 42 | Very low | 143 Ų | 143 | 158.2 Ų | 158.2 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | cis | -153.4 | -179.6 | -7.1 | 43.3 | -145.8 | 138.9 | 0 | 0 | 112.7 | ||||
| 183 | D | 47.9 | Very low | 42.6 | Very low | 161 Ų | 161 | 159.1 Ų | 159.1 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | 65.3 | 70.7 | 173.8 | -69.8 | -40.1 | 0 | 0 | 0 | 119.7 | ||||
| 184 | E | 43.5 | Very low | 43.8 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -96.1 | 117.3 | 152 | -161.8 | -161.6 | 120.2 | 0 | 0 | 111.2 | N186 | E184-N186 PolarHBondContact O-N 3.25Š| ||
| 185 | C | 40.2 | Very low | 44.2 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -76.3 | 90.4 | 177.6 | 59 | 0 | 0 | 0 | 0 | 111.8 | R187 | C185-R187 PolarHBondContact O-N 3.08Š| ||
| 186 | N | 36.7 | Very low | 44.7 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 60% | 0.599 | 78% | 0.78 | S | S | * | * | trans | -37.8 | 103 | -174.4 | -165.9 | -51.4 | 0 | 0 | 0 | 114.7 | E184 R188 | E184-N186 PolarHBondContact O-N 3.25Å; N186-R188 VanDerWaalsContact C-N 3.33Å; N186-R188 PolarHBondContact O-N 2.96Å; N186-R188 WeakPolarHBondContact OD1-CG 3.29Å | ||
| 187 | R | 50.8 | Low | 45.5 | Very low | 233 Ų | 233 | 155.3 Ų | 155.3 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -80.5 | 71.9 | -178.3 | -171.8 | -174.8 | -175.6 | 166.6 | 0.9 | 111.1 | C185 D189 | C185-R187 PolarHBondContact O-N 3.08Å; R187-D189 PolarHBondContact O-N 3.25Å | ||
| 188 | R | 47.6 | Very low | 45.6 | Very low | 206 Ų | 206 | 154.6 Ų | 154.6 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -68.6 | 124 | 173.6 | -62.7 | -161 | 179.6 | -170 | 0.3 | 111.1 | N186 | N186-R188 VanDerWaalsContact C-N 3.33Å; N186-R188 PolarHBondContact O-N 2.96Å; N186-R188 WeakPolarHBondContact OD1-CG 3.29Å | ||
| 189 | D | 40.5 | Very low | 46 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -72.6 | 128.3 | 172.3 | -165.1 | -116.2 | 0 | 0 | 0 | 110 | R187 S191 | R187-D189 PolarHBondContact O-N 3.25Å; D189-S191 VanDerWaalsContact C-N 3.34Å; D189-S191 PolarHBondContact O-N 3.25Å; D189-S191 VanDerWaalsContact O-N 3.08Å | ||
| 190 | E | 45.3 | Very low | 46 | Very low | 169 Ų | 169 | 155.1 Ų | 155.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -85.1 | 71 | -177.5 | -70.3 | -158.9 | 129.2 | 0 | 0 | 111.6 | F192 K299 | E190-F192 PolarHBondContact O-N 2.91Å; E190-K299 IonicContact OE2-NZ 3.41Å | ||
| 191 | S | 51 | Low | 45.6 | Very low | 101 Ų | 101 | 155.8 Ų | 155.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -90.1 | 89.6 | 165.7 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | D189 | D189-S191 VanDerWaalsContact C-N 3.34Å; D189-S191 PolarHBondContact O-N 3.25Å; D189-S191 VanDerWaalsContact O-N 3.08Å | ||
| 192 | F | 43.3 | Very low | 46 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -129.6 | 128 | 165.3 | -90.2 | -78.9 | 0 | 0 | 0 | 110.6 | E190 | E190-F192 PolarHBondContact O-N 2.91Š| ||
| 193 | S | 48.2 | Very low | 46.1 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -68.1 | 143.4 | -172.5 | -162.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 194 | M | 59.6 | Low | 46 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -89.1 | 116.9 | 167.2 | 163.9 | 178.8 | 161.2 | 0 | 0 | 108.4 | ||||
| 195 | D | 44.4 | Very low | 46 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -161.4 | 157.9 | 156.9 | -165.5 | -130 | 0 | 0 | 0 | 113.9 | ||||
| 196 | S | 47.6 | Very low | 46 | Very low | 95 Ų | 95 | 150.9 Ų | 150.9 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | 58.8 | 111.4 | 160.4 | -72.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 197 | D | 51.2 | Low | 46.2 | Very low | 149 Ų | 149 | 151 Ų | 151 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -63 | 159.3 | 152.9 | -51.3 | -102.9 | 0 | 0 | 0 | 112.5 | ||||
| 198 | L | 46.9 | Very low | 45.6 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | 168.9 | 160 | 115.1 | -89.4 | 176.1 | 0 | 0 | 0 | 114.1 | |||||
| 199 | D | 42.3 | Very low | 45.1 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 68.6 | 142.7 | 166.5 | -140.3 | -15.6 | 0 | 0 | 0 | 119.6 | ||||
| 200 | Y | 46.5 | Very low | 44.8 | Very low | 201 Ų | 201 | 139.7 Ų | 139.7 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | -138.7 | 111.4 | -179.7 | 160.8 | -89.3 | 0 | 0 | 0 | 106.7 | ||||
| 201 | S | 46.4 | Very low | 44.3 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -126.5 | 162.5 | 174.3 | -164.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 202 | S | 48.3 | Very low | 43.5 | Very low | 85 Ų | 85 | 141.1 Ų | 141.1 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | trans | -116.2 | 157.1 | -145.5 | -167.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 203 | D | 40.5 | Very low | 43.2 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | 67.2 | 125.1 | 160.1 | -134.8 | -79.7 | 0 | 0 | 0 | 118.1 | N205 | D203-N205 PolarHBondContact OD1-N 3.47Š| ||
| 204 | D | 45.9 | Very low | 42.8 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -153.8 | 97.9 | 138.9 | -118.2 | -33 | 0 | 0 | 0 | 108.7 | ||||
| 205 | N | 43.5 | Very low | 41.9 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | trans | -69 | 125.1 | 171.8 | 162.3 | 36.6 | 0 | 0 | 0 | 111.5 | D203 | D203-N205 PolarHBondContact OD1-N 3.47Š| ||
| 206 | M | 39.3 | Very low | 41.7 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 84% | 0.837 | 78% | 0.777 | S | S | * | * | trans | -151.9 | 124.6 | 150 | -143.3 | 59.8 | 72.8 | 0 | 0 | 115.3 | ||||
| 207 | T | 42.1 | Very low | 41.2 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -50.4 | 141 | -178.1 | -53.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 208 | G | 37.7 | Very low | 40.5 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -143.9 | 123.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 209 | N | 36.7 | Very low | 39.9 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -69.2 | 150 | -167.4 | -73.3 | -5.1 | 0 | 0 | 0 | 115.2 | ||||
| 210 | S | 35 | Very low | 39.7 | Very low | 128 Ų | 128 | 137 Ų | 137 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -149.1 | 92.5 | 153.5 | -77.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 211 | M | 34.3 | Very low | 39.4 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 117.7 | 172.4 | -173.6 | 68 | 160.5 | 0 | 0 | 108.4 | ||
| 212 | C | 34.4 | Very low | 38.9 | Very low | 117 Ų | 117 | 135 Ų | 135 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 126.3 | 173.8 | 48.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 213 | Q | 36.9 | Very low | 38.6 | Very low | 199 Ų | 199 | 138.6 Ų | 138.6 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 145.9 | 168.6 | -162.2 | 156.1 | 18.9 | 0 | 0 | 109.6 | ||
| 214 | K | 39.3 | Very low | 38.4 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 67% | 0.665 | 79% | 0.791 | S | S | * | * | trans | -118.6 | 141 | -175.1 | 177.6 | 177.1 | -176 | -89.8 | 0 | 108.7 | D216 | K214-D216 WeakPolarHBondContact CE-OD1 3.45Å; K214-D216 IonicContact NZ-OD1 3.14Å; K214-D216 PolarHBondContact NZ-OD1 3.28Å; K214-D216 IonicContact NZ-OD2 2.78Å; K214-D216 PolarHBondContact NZ-OD2 2.95Å | ||
| 215 | D | 39.8 | Very low | 38.3 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -141.4 | 147.8 | 167.7 | -160.5 | -141.9 | 0 | 0 | 0 | 108.1 | ||||
| 216 | D | 40.8 | Very low | 38.4 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | trans | -121.1 | 144.2 | -173 | -61.3 | -93 | 0 | 0 | 0 | 109.4 | K214 | K214-D216 WeakPolarHBondContact CE-OD1 3.45Å; K214-D216 IonicContact NZ-OD1 3.14Å; K214-D216 PolarHBondContact NZ-OD1 3.28Å; K214-D216 IonicContact NZ-OD2 2.78Å; K214-D216 PolarHBondContact NZ-OD2 2.95Å | ||
| 217 | G | 37.4 | Very low | 38.1 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -171.1 | 119 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 218 | E | 35.5 | Very low | 38.1 | Very low | 196 Ų | 196 | 131.8 Ų | 131.8 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -88.1 | 160.5 | 179.8 | 59.7 | -121.8 | 63.9 | 0 | 0 | 115.4 | ||||
| 219 | G | 36 | Very low | 38.2 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -168.6 | 144 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 220 | N | 36.8 | Very low | 38.1 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -123.2 | -169.7 | -166 | -165.3 | 7.3 | 0 | 0 | 0 | 112.2 | ||||
| 221 | V | 40.9 | Very low | 38.5 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | 73.5 | 137.9 | 168.4 | -61.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 222 | D | 36.2 | Very low | 38.8 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | cis | -162 | -171.8 | -7.7 | -174.3 | -149.9 | 0 | 0 | 0 | 111.4 | ||||
| 223 | E | 40.6 | Very low | 39.1 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -43.9 | 163.6 | 174 | -67.3 | -150.6 | 77.6 | 0 | 0 | 116.5 | ||||
| 224 | G | 38.3 | Very low | 39.5 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | 174.4 | -154.8 | 8.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 225 | V | 42 | Very low | 40.1 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | cis | -165.9 | 149.8 | -16.1 | 104.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 226 | H | 45.4 | Very low | 40.6 | Very low | 181 Ų | 181 | 123.1 Ų | 123.1 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | 48.7 | 138.9 | 163.9 | -70.9 | 78.3 | 0 | 0 | 0 | 124.4 | ||||
| 227 | G | 33.2 | Very low | 41.1 | Very low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 162.9 | 117.5 | 165 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 228 | S | 42.8 | Very low | 41.7 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -106 | 151.4 | -156.8 | -57.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 229 | N | 39.1 | Very low | 42.4 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | 65.9 | 134.1 | 153.8 | -76.4 | 0.4 | 0 | 0 | 0 | 122 | ||||
| 230 | G | 35.5 | Very low | 43.3 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -179.5 | 80.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 231 | T | 43.3 | Very low | 44.8 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 95% | 0.945 | 81% | 0.806 | S | S | * | * | trans | -51.5 | 130.7 | -170 | -47.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 232 | G | 39.7 | Very low | 46.5 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -180 | 101.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 233 | S | 42.2 | Very low | 48.6 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -90.3 | 126.6 | -174.3 | -178.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 234 | T | 45.6 | Very low | 50.8 | Low | 136 Ų | 136 | 142.8 Ų | 142.8 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -151.9 | 133.3 | 132.3 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 235 | T | 51.2 | Low | 53.1 | Low | 137 Ų | 137 | 144.6 Ų | 144.6 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -84.7 | 126.6 | -176.1 | 43.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 236 | S | 50.2 | Low | 55.6 | Low | 114 Ų | 114 | 144.1 Ų | 144.1 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -149.9 | 77.8 | 162.6 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | G238 | S236-G238 PolarHBondContact O-N 3.08Š| ||
| 237 | T | 51.2 | Low | 58.1 | Low | 154 Ų | 154 | 138.1 Ų | 138.1 | 95% | 0.945 | 80% | 0.795 | S | S | * | * | trans | -69.1 | 96.3 | 173.2 | 35.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 238 | G | 51 | Low | 61.2 | Low | 61 Ų | 61 | 137.9 Ų | 137.9 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 178.9 | 86.1 | -180 | 0 | 0 | 0 | 0 | 0 | 116.9 | S236 | S236-G238 PolarHBondContact O-N 3.08Š|
| 239 | K | 49.9 | Very low | 63.8 | Low | 206 Ų | 206 | 137.4 Ų | 137.4 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | 72.3 | 118.1 | 165.1 | -54.1 | 160.6 | -174.2 | 174 | 0 | 114.5 | R241 | K239-R241 VanDerWaalsContact C-N 3.26Å; K239-R241 PolarHBondContact O-N 3.39Å | ||
| 240 | N | 55.5 | Low | 66.6 | Low | 168 Ų | 168 | 136.5 Ų | 136.5 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | -69.6 | 75.1 | 178.6 | -172.3 | 12.6 | 0 | 0 | 0 | 111.8 | R242 | N240-R242 PolarHBondContact O-N 3.18Š| ||
| 241 | R | 67.4 | Low | 69.5 | Low | 190 Ų | 190 | 134.2 Ų | 134.2 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | trans | -67.5 | 98.8 | 179.6 | 175.8 | 173.3 | 158.7 | 177.7 | -10.7 | 109.6 | K239 R243 | K239-R241 VanDerWaalsContact C-N 3.26Å; K239-R241 PolarHBondContact O-N 3.39Å; R241-R243 PolarHBondContact O-N 3.22Å | ||
| 242 | R | 75.9 | Confident | 72.2 | Confident | 234 Ų | 234 | 129.9 Ų | 129.9 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | trans | -35.8 | 120.1 | 176.7 | -140.3 | 175.1 | -164.9 | 165.2 | 5.1 | 110.5 | N240 R244 | N240-R242 PolarHBondContact O-N 3.18Å; R242-R244 PolarHBondContact O-N 2.74Å | ||
| 243 | R | 81 | Confident | 74.9 | Confident | 241 Ų | 241 | 132 Ų | 132 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.1 | -177.8 | -72.7 | -176.5 | 177.1 | -115.1 | 1.8 | 109.1 | R241 T245 | R241-R243 PolarHBondContact O-N 3.22Å; R243-T245 PolarHBondContact O-N 2.69Å |
| 244 | R | 86.6 | Confident | 77.6 | Confident | 217 Ų | 217 | 129.4 Ų | 129.4 | 82% | 0.819 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 118.2 | 176 | -74.3 | -177.7 | 173 | 175.6 | -4.8 | 108.4 | R242 | R242-R244 PolarHBondContact O-N 2.74Š|
| 245 | T | 87.1 | Confident | 80.1 | Confident | 110 Ų | 110 | 122.9 Ų | 122.9 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 140.8 | 164.8 | 43.5 | 0 | 0 | 0 | 0 | 109.5 | R243 | R243-T245 PolarHBondContact O-N 2.69Š|
| 246 | A | 94 | Very high | 82.4 | Confident | 94 Ų | 94 | 119.7 Ų | 119.7 | 78% | 0.777 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 152.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 247 | F | 97.2 | Very high | 84.7 | Confident | 56 Ų | 56 | 119.1 Ų | 119.1 | 25% | 0.246 | 59% | 0.591 | C | S | . | * | P | Polyproline II helix | trans | -90 | 150.2 | 169 | -58.3 | -62.2 | 0 | 0 | 0 | 109.5 | Q251 L252 L279 Q283 W287 | F247-Q251 HydrophobicContact CB-CB 4.22Å; F247-L252 HydrophobicContact CB-CD2 3.97Å; F247-L252 HydrophobicContact CB-CG 3.96Å; F247-L252 HydrophobicContact CD2-CD2 4.2Å; F247-L279 HydrophobicContact CD1-CD1 3.79Å; F247-L279 HydrophobicContact CD1-CD2 3.77Å; F247-L279 HydrophobicContact CD1-CG 4.46Å; F247-L279 HydrophobicContact CE1-CD1 3.75Å; F247-L279 HydrophobicContact CE1-CD2 3.77Å; F247-L279 HydrophobicContact CE1-CG 4.39Å; F247-Q283 HydrophobicContact CE1-CB 4.03Å; F247-Q283 HydrophobicContact CE1-CG 4.24Å; F247-Q283 HydrophobicContact CZ-CB 4.02Å; F247-Q283 HydrophobicContact CZ-CG 4.29Å; F247-W287 AromaticContact CD2-CD1 3.88Å; F247-W287 AromaticContact CE2-CD1 3.75Å |
| 248 | T | 98 | Very high | 86.9 | Confident | 72 Ų | 72 | 114.3 Ų | 114.3 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 162 | 174.5 | 72.1 | 0 | 0 | 0 | 0 | 110.9 | E250 Q251 L252 | T248-E250 VanDerWaalsContact C-N 3.25Å; T248-E250 PolarHBondContact O-N 2.84Å; T248-Q251 PolarHBondContact O-N 3.45Å; T248-Q251 VanDerWaalsContact OG1-CG 3.29Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.41Å; T248-Q251 PolarHBondContact OG1-N 3.26Å; T248-Q251 VanDerWaalsContact OG1-N 3.13Å; T248-L252 WeakPolarHBondContact O-CG 3.36Å; T248-L252 PolarHBondContact O-N 2.79Å |
| 249 | S | 97.6 | Very high | 89.2 | Confident | 102 Ų | 102 | 111.6 Ų | 111.6 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -36.8 | 177.5 | -161.1 | 0 | 0 | 0 | 0 | 112.2 | L252 L253 | S249-L252 PolarHBondContact O-N 3.37Å; S249-L253 WeakPolarHBondContact O-CB 3.43Å; S249-L253 PolarHBondContact O-N 3.49Å |
| 250 | E | 97.9 | Very high | 91.5 | Very high | 153 Ų | 153 | 107.2 Ų | 107.2 | 72% | 0.715 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -50.5 | 173.8 | -179.7 | -174.8 | -167.2 | 0 | 0 | 112 | T248 L252 L253 E254 | T248-E250 VanDerWaalsContact C-N 3.25Å; T248-E250 PolarHBondContact O-N 2.84Å; E250-L252 VanDerWaalsContact C-N 3.26Å; E250-L252 PolarHBondContact O-N 3.46Å; E250-L253 PolarHBondContact O-N 3.24Å; E250-L253 VanDerWaalsContact O-N 3.12Å; E250-E254 PolarHBondContact O-N 2.73Å |
| 251 | Q | 98.2 | Very high | 93.5 | Very high | 29 Ų | 29 | 103.8 Ų | 103.8 | 14% | 0.136 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -57.7 | -40 | 175.3 | -74 | 172.8 | -21.4 | 0 | 0 | 111.8 | F247 T248 L255 L277 | F247-Q251 HydrophobicContact CB-CB 4.22Å; T248-Q251 PolarHBondContact O-N 3.45Å; T248-Q251 VanDerWaalsContact OG1-CG 3.29Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.41Å; T248-Q251 PolarHBondContact OG1-N 3.26Å; T248-Q251 VanDerWaalsContact OG1-N 3.13Å; Q251-L255 VanDerWaalsContact O-CB 3.3Å; Q251-L255 WeakPolarHBondContact O-CB 3.36Å; Q251-L255 WeakPolarHBondContact O-CD1 3.43Å; Q251-L255 WeakPolarHBondContact O-CG 3.43Å; Q251-L255 PolarHBondContact O-N 2.96Å; Q251-L255 VanDerWaalsContact O-N 3.1Å; Q251-L277 HydrophobicContact CG-CB 4.31Å; Q251-L277 PolarHBondContact NE2-O 3.47Å |
| 252 | L | 98.2 | Very high | 94.9 | Very high | 63 Ų | 63 | 99 Ų | 99 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 176.6 | -71.2 | 173.3 | 0 | 0 | 0 | 112.4 | F247 T248 S249 E250 E256 | F247-L252 HydrophobicContact CB-CD2 3.97Å; F247-L252 HydrophobicContact CB-CG 3.96Å; F247-L252 HydrophobicContact CD2-CD2 4.2Å; T248-L252 WeakPolarHBondContact O-CG 3.36Å; T248-L252 PolarHBondContact O-N 2.79Å; S249-L252 PolarHBondContact O-N 3.37Å; E250-L252 VanDerWaalsContact C-N 3.26Å; E250-L252 PolarHBondContact O-N 3.46Å; L252-E256 WeakPolarHBondContact O-CB 3.22Å; L252-E256 WeakPolarHBondContact O-CG 3.3Å; L252-E256 PolarHBondContact O-N 3.08Å |
| 253 | L | 98.1 | Very high | 95.9 | Very high | 120 Ų | 120 | 90.8 Ų | 90.8 | 63% | 0.628 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65 | -46.2 | -179.8 | -174.2 | 143.3 | 0 | 0 | 0 | 111.6 | S249 E250 E256 K257 | S249-L253 WeakPolarHBondContact O-CB 3.43Å; S249-L253 PolarHBondContact O-N 3.49Å; E250-L253 PolarHBondContact O-N 3.24Å; E250-L253 VanDerWaalsContact O-N 3.12Å; L253-E256 PolarHBondContact O-N 2.81Å; L253-K257 PolarHBondContact O-N 3.39Å |
| 254 | E | 98.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 86.6 Ų | 86.6 | 28% | 0.28 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 179 | -165 | 67 | -170.4 | 0 | 0 | 111.8 | E250 E256 K257 E258 L277 | E250-E254 PolarHBondContact O-N 2.73Å; E254-E256 VanDerWaalsContact C-N 3.29Å; E254-E256 PolarHBondContact O-N 2.93Å; E254-K257 PolarHBondContact O-N 3.35Å; E254-K257 IonicContact OE1-NZ 2.67Å; E254-K257 PolarHBondContact OE1-NZ 3.35Å; E254-K257 VanDerWaalsContact OE2-CD 3.3Å; E254-K257 WeakPolarHBondContact OE2-CD 3.07Å; E254-K257 IonicContact OE2-NZ 3.37Å; E254-K257 PolarHBondContact OE2-NZ 2.98Å; E254-E258 PolarHBondContact O-N 3.11Å; E254-L277 HydrophobicContact CB-CD1 4.22Å; E254-L277 HydrophobicContact CB-CD2 3.86Å; E254-L277 HydrophobicContact CG-CD1 4.47Å; E254-L277 HydrophobicContact CG-CD2 4.01Å |
| 255 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.3 | -35.4 | 171.1 | -73.3 | 168.9 | 0 | 0 | 0 | 112.2 | Q251 F259 I273 L277 L279 V284 W287 F288 | Q251-L255 VanDerWaalsContact O-CB 3.3Å; Q251-L255 WeakPolarHBondContact O-CB 3.36Å; Q251-L255 WeakPolarHBondContact O-CD1 3.43Å; Q251-L255 WeakPolarHBondContact O-CG 3.43Å; Q251-L255 PolarHBondContact O-N 2.96Å; Q251-L255 VanDerWaalsContact O-N 3.1Å; L255-F259 VanDerWaalsContact O-CB 3.3Å; L255-F259 WeakPolarHBondContact O-CB 3.29Å; L255-F259 PolarHBondContact O-N 2.83Å; L255-F259 VanDerWaalsContact O-N 3.08Å; L255-I273 HydrophobicContact CD2-CG2 3.87Å; L255-L277 HydrophobicContact CD1-CD1 4.4Å; L255-L277 HydrophobicContact CD2-CD1 3.94Å; L255-L277 HydrophobicContact CG-CD1 3.67Å; L255-L279 HydrophobicContact CD1-CD1 4.15Å; L255-V284 HydrophobicContact CD2-CG1 4.18Å; L255-W287 VanDerWaalsContact C-CH2 3.43Å; L255-W287 HydrophobicContact CB-CD2 3.97Å; L255-W287 HydrophobicContact CB-CE3 3.99Å; L255-W287 HydrophobicContact CB-CH2 3.78Å; L255-W287 HydrophobicContact CB-CZ2 3.72Å; L255-W287 HydrophobicContact CB-CZ3 3.9Å; L255-W287 HydrophobicContact CD1-CB 4.49Å; L255-W287 HydrophobicContact CD1-CD2 3.97Å; L255-W287 HydrophobicContact CD1-CG 3.87Å; L255-W287 HydrophobicContact CD2-CE3 4.38Å; L255-W287 HydrophobicContact CG-CD2 4.38Å; L255-W287 VanDerWaalsContact O-CH2 3.22Å; L255-W287 WeakPolarHBondContact O-CH2 3.23Å; L255-W287 VanDerWaalsContact O-CZ3 3.28Å; L255-W287 WeakPolarHBondContact O-CZ3 3.43Å; L255-F288 HydrophobicContact CD2-CD2 4.44Å; L255-F288 HydrophobicContact CD2-CE2 3.9Å |
| 256 | E | 98.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 74.6 Ų | 74.6 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.5 | -41.5 | 173.3 | -74 | -155.5 | -166.3 | 0 | 0 | 112.5 | L252 L253 E254 F259 H260 W287 R291 | L252-E256 WeakPolarHBondContact O-CB 3.22Å; L252-E256 WeakPolarHBondContact O-CG 3.3Å; L252-E256 PolarHBondContact O-N 3.08Å; L253-E256 PolarHBondContact O-N 2.81Å; E254-E256 VanDerWaalsContact C-N 3.29Å; E254-E256 PolarHBondContact O-N 2.93Å; E256-F259 PolarHBondContact O-N 2.69Å; E256-H260 PolarHBondContact O-N 3.23Å; E256-H260 PolarHBondContact O-ND1 2.95Å; E256-W287 HydrophobicContact CG-CH2 3.8Å; E256-W287 HydrophobicContact CG-CZ2 3.73Å; E256-R291 VanDerWaalsContact CD-NH2 3.29Å; E256-R291 IonicContact OE1-CZ 3.84Å; E256-R291 IonicContact OE1-NH1 2.95Å; E256-R291 PolarHBondContact OE1-NH1 2.81Å; E256-R291 IonicContact OE1-NH2 3.92Å; E256-R291 IonicContact OE2-CZ 3.73Å; E256-R291 IonicContact OE2-NH1 2.81Å; E256-R291 PolarHBondContact OE2-NH1 3.2Å; E256-R291 VanDerWaalsContact OE2-NH1 3.11Å; E256-R291 IonicContact OE2-NH2 2.73Å; E256-R291 PolarHBondContact OE2-NH2 3.41Å |
| 257 | K | 98.3 | Very high | 98 | Very high | 103 Ų | 103 | 75.4 Ų | 75.4 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -55.4 | -54.9 | 172.7 | 171.6 | -169.8 | 161.6 | -160.5 | 0 | 111.2 | L253 E254 F259 H260 C261 | L253-K257 PolarHBondContact O-N 3.39Å; E254-K257 PolarHBondContact O-N 3.35Å; E254-K257 IonicContact OE1-NZ 2.67Å; E254-K257 PolarHBondContact OE1-NZ 3.35Å; E254-K257 VanDerWaalsContact OE2-CD 3.3Å; E254-K257 WeakPolarHBondContact OE2-CD 3.07Å; E254-K257 IonicContact OE2-NZ 3.37Å; E254-K257 PolarHBondContact OE2-NZ 2.98Å; K257-F259 VanDerWaalsContact C-N 3.25Å; K257-F259 PolarHBondContact O-N 3.5Å; K257-H260 WeakPolarHBondContact O-CA 3.33Å; K257-H260 WeakPolarHBondContact O-CB 3.13Å; K257-H260 PolarHBondContact O-N 3.14Å; K257-C261 PolarHBondContact O-N 2.86Å; K257-C261 PolarHBondContact O-SG 2.77Å |
| 258 | E | 98.2 | Very high | 98.1 | Very high | 52 Ų | 52 | 77 Ų | 77 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.4 | -36 | 177.9 | -74.5 | -61.6 | 102.1 | 0 | 0 | 112.3 | E254 H260 C261 K262 I273 F288 | E254-E258 PolarHBondContact O-N 3.11Å; E258-H260 VanDerWaalsContact C-N 3.34Å; E258-H260 PolarHBondContact O-N 2.94Å; E258-C261 PolarHBondContact O-N 3.44Å; E258-K262 PolarHBondContact O-N 2.86Å; E258-I273 HydrophobicContact CB-CD1 4.14Å; E258-I273 HydrophobicContact CG-CD1 3.86Å; E258-I273 HydrophobicContact CG-CG1 4.18Å; E258-F288 HydrophobicContact CB-CZ 4.06Å |
| 259 | F | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.018 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.2 | -25.7 | 173.1 | -174.9 | -94.5 | 0 | 0 | 0 | 114 | L255 E256 K257 K263 W287 F288 R291 R292 W295 | L255-F259 VanDerWaalsContact O-CB 3.3Å; L255-F259 WeakPolarHBondContact O-CB 3.29Å; L255-F259 PolarHBondContact O-N 2.83Å; L255-F259 VanDerWaalsContact O-N 3.08Å; E256-F259 PolarHBondContact O-N 2.69Å; K257-F259 VanDerWaalsContact C-N 3.25Å; K257-F259 PolarHBondContact O-N 3.5Å; F259-K263 HydrophobicContact CD1-CD 4.38Å; F259-K263 HydrophobicContact CE1-CD 3.93Å; F259-K263 HydrophobicContact CE2-CB 4.19Å; F259-K263 HydrophobicContact CE2-CD 4.09Å; F259-K263 HydrophobicContact CZ-CB 4.47Å; F259-K263 HydrophobicContact CZ-CD 3.78Å; F259-K263 VanDerWaalsContact O-CD 3.25Å; F259-K263 WeakPolarHBondContact O-CD 3.49Å; F259-K263 PolarHBondContact O-NZ 3.39Å; F259-W287 HydrophobicContact CB-CH2 4.16Å; F259-W287 HydrophobicContact CB-CZ3 3.95Å; F259-W287 HydrophobicContact CG-CZ3 4.39Å; F259-F288 HydrophobicContact CB-CE1 4.07Å; F259-F288 HydrophobicContact CB-CZ 4.19Å; F259-F288 AromaticContact CD2-CD1 3.89Å; F259-F288 HydrophobicContact CD2-CD1 3.89Å; F259-F288 AromaticContact CD2-CE1 3.84Å; F259-F288 HydrophobicContact CD2-CE1 3.84Å; F259-F288 HydrophobicContact CG-CE1 4.47Å; F259-R291 HydrophobicContact CB-CG 4.25Å; F259-R291 HydrophobicContact CD1-CG 3.5Å; F259-R291 HydrophobicContact CD2-CB 4.1Å; F259-R291 HydrophobicContact CD2-CG 3.49Å; F259-R291 VanDerWaalsContact CD2-CG 3.49Å; F259-R291 HydrophobicContact CE1-CG 3.62Å; F259-R291 HydrophobicContact CE2-CB 4.1Å; F259-R291 HydrophobicContact CE2-CG 3.61Å; F259-R291 HydrophobicContact CG-CB 4.47Å; F259-R291 HydrophobicContact CG-CG 3.44Å; F259-R291 VanDerWaalsContact CG-CG 3.44Å; F259-R291 HydrophobicContact CZ-CB 4.47Å; F259-R291 HydrophobicContact CZ-CG 3.67Å; F259-R292 HydrophobicContact CE2-CG 3.77Å; F259-R292 HydrophobicContact CZ-CG 4.3Å; F259-W295 HydrophobicContact CE1-CB 4.34Å; F259-W295 HydrophobicContact CE1-CG 4.43Å; F259-W295 HydrophobicContact CZ-CB 4.08Å; F259-W295 HydrophobicContact CZ-CG 4.29Å |
| 260 | H | 97.9 | Very high | 98.1 | Very high | 115 Ų | 115 | 73.4 Ų | 73.4 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.3 | -47.4 | 170.3 | -71 | 98.4 | 0 | 0 | 0 | 109.9 | E256 K257 E258 K263 | E256-H260 PolarHBondContact O-N 3.23Å; E256-H260 PolarHBondContact O-ND1 2.95Å; K257-H260 WeakPolarHBondContact O-CA 3.33Å; K257-H260 WeakPolarHBondContact O-CB 3.13Å; K257-H260 PolarHBondContact O-N 3.14Å; E258-H260 VanDerWaalsContact C-N 3.34Å; E258-H260 PolarHBondContact O-N 2.94Å; H260-K263 PolarHBondContact O-NZ 3.16Å |
| 261 | C | 97.5 | Very high | 98.2 | Very high | 96 Ų | 96 | 67.8 Ų | 67.8 | 65% | 0.649 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.7 | -49.8 | 174.7 | -60 | 0 | 0 | 0 | 0 | 112.8 | K257 E258 | K257-C261 PolarHBondContact O-N 2.86Å; K257-C261 PolarHBondContact O-SG 2.77Å; E258-C261 PolarHBondContact O-N 3.44Å |
| 262 | K | 97.4 | Very high | 98.2 | Very high | 90 Ų | 90 | 72.3 Ų | 72.3 | 39% | 0.391 | 36% | 0.359 | S | S | . | . | trans | -148 | 132.9 | -179.9 | -162.6 | 163.1 | 59.1 | -177.7 | 0 | 114.1 | E258 Y264 E269 | E258-K262 PolarHBondContact O-N 2.86Å; K262-Y264 VanDerWaalsContact C-N 3.34Å; K262-Y264 WeakPolarHBondContact CD-O 3.45Å; K262-Y264 VanDerWaalsContact CE-O 3.24Å; K262-Y264 WeakPolarHBondContact CE-O 3.3Å; K262-Y264 WeakPolarHBondContact CG-O 3.15Å; K262-Y264 PolarHBondContact O-N 3.19Å; K262-E269 WeakPolarHBondContact CE-OE2 3.47Å; K262-E269 IonicContact NZ-OE1 2.63Å; K262-E269 PolarHBondContact NZ-OE1 2.61Å; K262-E269 IonicContact NZ-OE2 2.69Å; K262-E269 PolarHBondContact NZ-OE2 2.9Å | ||
| 263 | K | 97.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 70 Ų | 70 | 27% | 0.265 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -77.4 | -18.4 | -176.1 | -44.9 | -49.8 | 173.5 | -142 | 0 | 113.6 | F259 H260 R292 | F259-K263 HydrophobicContact CD1-CD 4.38Å; F259-K263 HydrophobicContact CE1-CD 3.93Å; F259-K263 HydrophobicContact CE2-CB 4.19Å; F259-K263 HydrophobicContact CE2-CD 4.09Å; F259-K263 HydrophobicContact CZ-CB 4.47Å; F259-K263 HydrophobicContact CZ-CD 3.78Å; F259-K263 VanDerWaalsContact O-CD 3.25Å; F259-K263 WeakPolarHBondContact O-CD 3.49Å; F259-K263 PolarHBondContact O-NZ 3.39Å; H260-K263 PolarHBondContact O-NZ 3.16Å; K263-R292 VanDerWaalsContact O-CD 3.3Å; K263-R292 WeakPolarHBondContact O-CD 3.28Å; K263-R292 PolarHBondContact O-NH1 3.43Å |
| 264 | Y | 98.2 | Very high | 98.2 | Very high | 153 Ų | 153 | 64.5 Ų | 64.5 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -137.3 | 120.6 | -176.5 | -64.8 | -103.1 | 0 | 0 | 0 | 110 | K262 R292 | K262-Y264 VanDerWaalsContact C-N 3.34Å; K262-Y264 WeakPolarHBondContact CD-O 3.45Å; K262-Y264 VanDerWaalsContact CE-O 3.24Å; K262-Y264 WeakPolarHBondContact CE-O 3.3Å; K262-Y264 WeakPolarHBondContact CG-O 3.15Å; K262-Y264 PolarHBondContact O-N 3.19Å; Y264-R292 VanDerWaalsContact CE1-CD 3.49Å |
| 265 | L | 98.1 | Very high | 98.2 | Very high | 30 Ų | 30 | 68.1 Ų | 68.1 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | trans | -88.2 | 144.7 | 178.3 | -58.8 | 175.8 | 0 | 0 | 0 | 111.8 | E269 R270 I273 V284 F288 | L265-E269 WeakPolarHBondContact CA-OE2 3.47Å; L265-E269 HydrophobicContact CB-CB 4.33Å; L265-E269 HydrophobicContact CD2-CB 4.21Å; L265-R270 HydrophobicContact CB-CB 4.44Å; L265-R270 HydrophobicContact CD1-CB 4.33Å; L265-I273 HydrophobicContact CD1-CD1 3.62Å; L265-I273 HydrophobicContact CD2-CD1 3.7Å; L265-I273 HydrophobicContact CG-CD1 4.31Å; L265-V284 HydrophobicContact CD1-CG1 3.77Å; L265-F288 HydrophobicContact CD1-CD1 4.17Å; L265-F288 HydrophobicContact CD1-CD2 3.74Å; L265-F288 HydrophobicContact CD1-CE1 3.98Å; L265-F288 HydrophobicContact CD1-CE2 3.56Å; L265-F288 HydrophobicContact CD1-CG 4.07Å; L265-F288 HydrophobicContact CD1-CZ 3.68Å; L265-F288 HydrophobicContact CD2-CE1 3.93Å; L265-F288 HydrophobicContact CD2-CZ 3.94Å; L265-F288 HydrophobicContact CG-CD1 3.94Å; L265-F288 HydrophobicContact CG-CD2 4.41Å; L265-F288 HydrophobicContact CG-CE1 3.68Å; L265-F288 HydrophobicContact CG-CE2 4.21Å; L265-F288 HydrophobicContact CG-CG 4.31Å; L265-F288 HydrophobicContact CG-CZ 3.84Å | ||
| 266 | S | 98.3 | Very high | 98.2 | Very high | 44 Ų | 44 | 71.5 Ų | 71.5 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | trans | -67.8 | -178 | 163.9 | 72.8 | 0 | 0 | 0 | 0 | 111.6 | E269 R270 | S266-E269 PolarHBondContact N-OE2 3.3Å; S266-E269 VanDerWaalsContact OG-CG 3.27Å; S266-E269 WeakPolarHBondContact OG-CG 3.29Å; S266-E269 PolarHBondContact OG-N 3.26Å; S266-E269 PolarHBondContact OG-OE1 3.28Å; S266-E269 PolarHBondContact OG-OE2 2.81Å; S266-R270 WeakPolarHBondContact O-CB 3.25Å; S266-R270 PolarHBondContact O-N 2.89Å | ||
| 267 | L | 98.3 | Very high | 98.1 | Very high | 111 Ų | 111 | 69.1 Ų | 69.1 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.9 | -50.4 | 171.4 | -178.2 | 60.5 | 0 | 0 | 0 | 110.6 | E269 R270 S271 | L267-E269 PolarHBondContact O-N 3.21Å; L267-R270 WeakPolarHBondContact O-CB 3.4Å; L267-R270 PolarHBondContact O-N 3.31Å; L267-S271 PolarHBondContact O-N 2.97Å; L267-S271 VanDerWaalsContact O-N 3.08Å |
| 268 | T | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 72.4 Ų | 72.4 | 56% | 0.558 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.6 | -47.3 | -176.8 | -41.7 | 0 | 0 | 0 | 0 | 112.4 | R270 S271 Q272 | T268-R270 VanDerWaalsContact C-N 3.35Å; T268-R270 PolarHBondContact O-N 3.44Å; T268-S271 WeakPolarHBondContact O-CB 3.27Å; T268-S271 PolarHBondContact O-N 2.98Å; T268-Q272 WeakPolarHBondContact O-CG 3.37Å; T268-Q272 PolarHBondContact O-N 3.45Å |
| 269 | E | 98.3 | Very high | 98.1 | Very high | 47 Ų | 47 | 70.9 Ų | 70.9 | 22% | 0.22 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 178.8 | -68.6 | 149.2 | -151.9 | 0 | 0 | 111.9 | K262 L265 S266 L267 S271 Q272 I273 | K262-E269 WeakPolarHBondContact CE-OE2 3.47Å; K262-E269 IonicContact NZ-OE1 2.63Å; K262-E269 PolarHBondContact NZ-OE1 2.61Å; K262-E269 IonicContact NZ-OE2 2.69Å; K262-E269 PolarHBondContact NZ-OE2 2.9Å; L265-E269 WeakPolarHBondContact CA-OE2 3.47Å; L265-E269 HydrophobicContact CB-CB 4.33Å; L265-E269 HydrophobicContact CD2-CB 4.21Å; S266-E269 PolarHBondContact N-OE2 3.3Å; S266-E269 VanDerWaalsContact OG-CG 3.27Å; S266-E269 WeakPolarHBondContact OG-CG 3.29Å; S266-E269 PolarHBondContact OG-N 3.26Å; S266-E269 PolarHBondContact OG-OE1 3.28Å; S266-E269 PolarHBondContact OG-OE2 2.81Å; L267-E269 PolarHBondContact O-N 3.21Å; E269-S271 VanDerWaalsContact C-N 3.27Å; E269-S271 PolarHBondContact O-N 3.41Å; E269-Q272 PolarHBondContact O-N 2.96Å; E269-I273 WeakPolarHBondContact O-CB 3.03Å; E269-I273 WeakPolarHBondContact O-CD1 3.37Å; E269-I273 VanDerWaalsContact O-CG1 3.29Å; E269-I273 WeakPolarHBondContact O-CG1 3.24Å; E269-I273 PolarHBondContact O-N 3.43Å |
| 270 | R | 98.6 | Very high | 98.1 | Very high | 51 Ų | 51 | 73.2 Ų | 73.2 | 19% | 0.192 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 176.6 | -167.7 | -159.9 | -48.6 | 134.9 | 7.6 | 111.3 | L265 S266 L267 T268 A274 E281 V284 | L265-R270 HydrophobicContact CB-CB 4.44Å; L265-R270 HydrophobicContact CD1-CB 4.33Å; S266-R270 WeakPolarHBondContact O-CB 3.25Å; S266-R270 PolarHBondContact O-N 2.89Å; L267-R270 WeakPolarHBondContact O-CB 3.4Å; L267-R270 PolarHBondContact O-N 3.31Å; T268-R270 VanDerWaalsContact C-N 3.35Å; T268-R270 PolarHBondContact O-N 3.44Å; R270-A274 WeakPolarHBondContact O-CB 3.44Å; R270-A274 PolarHBondContact O-N 3.15Å; R270-E281 WeakPolarHBondContact CD-O 3.46Å; R270-E281 WeakPolarHBondContact CD-OE2 3.25Å; R270-E281 HydrophobicContact CG-CB 4.32Å; R270-E281 HydrophobicContact CG-CG 4.17Å; R270-E281 IonicContact CZ-OE2 3.21Å; R270-E281 IonicContact NH1-OE2 3.11Å; R270-E281 PolarHBondContact NH1-OE2 3.48Å; R270-V284 HydrophobicContact CG-CB 3.98Å; R270-V284 HydrophobicContact CG-CG1 3.85Å |
| 271 | S | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 70.5 Ų | 70.5 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 175.8 | -138.5 | 0 | 0 | 0 | 0 | 111.2 | L267 T268 E269 I273 A274 H275 E281 | L267-S271 PolarHBondContact O-N 2.97Å; L267-S271 VanDerWaalsContact O-N 3.08Å; T268-S271 WeakPolarHBondContact O-CB 3.27Å; T268-S271 PolarHBondContact O-N 2.98Å; E269-S271 VanDerWaalsContact C-N 3.27Å; E269-S271 PolarHBondContact O-N 3.41Å; S271-I273 PolarHBondContact O-N 2.92Å; S271-A274 WeakPolarHBondContact O-CB 3.35Å; S271-A274 PolarHBondContact O-N 3.32Å; S271-H275 PolarHBondContact O-CD2 3.38Å; S271-H275 VanDerWaalsContact O-CD2 3.22Å; S271-H275 PolarHBondContact O-N 3.05Å; S271-E281 VanDerWaalsContact CB-OE1 3.25Å; S271-E281 WeakPolarHBondContact CB-OE1 3.48Å; S271-E281 PolarHBondContact OG-OE1 3.3Å |
| 272 | Q | 98.4 | Very high | 98.1 | Very high | 123 Ų | 123 | 70.3 Ų | 70.3 | 58% | 0.575 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.2 | -50.1 | 175.4 | -70.4 | 169.5 | -4.5 | 0 | 0 | 112.2 | T268 E269 A274 H275 A276 | T268-Q272 WeakPolarHBondContact O-CG 3.37Å; T268-Q272 PolarHBondContact O-N 3.45Å; E269-Q272 PolarHBondContact O-N 2.96Å; Q272-A274 VanDerWaalsContact C-N 3.34Å; Q272-A274 PolarHBondContact O-N 3.49Å; Q272-H275 PolarHBondContact O-N 3.02Å; Q272-A276 WeakPolarHBondContact O-CB 3.37Å; Q272-A276 PolarHBondContact O-N 3.45Å |
| 273 | I | 98.2 | Very high | 98.1 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 178.4 | -66.3 | 162.6 | 0 | 0 | 0 | 111.2 | L255 E258 L265 E269 S271 L277 V284 | L255-I273 HydrophobicContact CD2-CG2 3.87Å; E258-I273 HydrophobicContact CB-CD1 4.14Å; E258-I273 HydrophobicContact CG-CD1 3.86Å; E258-I273 HydrophobicContact CG-CG1 4.18Å; L265-I273 HydrophobicContact CD1-CD1 3.62Å; L265-I273 HydrophobicContact CD2-CD1 3.7Å; L265-I273 HydrophobicContact CG-CD1 4.31Å; E269-I273 WeakPolarHBondContact O-CB 3.03Å; E269-I273 WeakPolarHBondContact O-CD1 3.37Å; E269-I273 VanDerWaalsContact O-CG1 3.29Å; E269-I273 WeakPolarHBondContact O-CG1 3.24Å; E269-I273 PolarHBondContact O-N 3.43Å; S271-I273 PolarHBondContact O-N 2.92Å; I273-L277 HydrophobicContact CG2-CD1 3.87Å; I273-L277 HydrophobicContact CG2-CG 4.44Å; I273-L277 WeakPolarHBondContact O-CB 3.26Å; I273-L277 WeakPolarHBondContact O-CG 3.35Å; I273-L277 PolarHBondContact O-N 2.87Å; I273-V284 HydrophobicContact CB-CG1 4.48Å; I273-V284 HydrophobicContact CG2-CG1 4.01Å; I273-V284 HydrophobicContact CG2-CG2 4.23Å |
| 274 | A | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | R270 S271 Q272 K278 L279 E281 V284 | R270-A274 WeakPolarHBondContact O-CB 3.44Å; R270-A274 PolarHBondContact O-N 3.15Å; S271-A274 WeakPolarHBondContact O-CB 3.35Å; S271-A274 PolarHBondContact O-N 3.32Å; Q272-A274 VanDerWaalsContact C-N 3.34Å; Q272-A274 PolarHBondContact O-N 3.49Å; A274-K278 PolarHBondContact O-N 3.3Å; A274-L279 CarbonylContact C-O 3.48Å; A274-L279 WeakPolarHBondContact CA-O 3.46Å; A274-L279 VanDerWaalsContact CB-O 3.29Å; A274-L279 WeakPolarHBondContact CB-O 3.44Å; A274-L279 PolarHBondContact O-N 3.49Å; A274-L279 VanDerWaalsContact O-O 3.13Å; A274-E281 HydrophobicContact CB-CG 4.01Å; A274-V284 HydrophobicContact CB-CG2 4.12Å |
| 275 | H | 98.4 | Very high | 98.2 | Very high | 135 Ų | 135 | 63.6 Ų | 63.6 | 63% | 0.625 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.7 | -38.5 | 177.8 | -84.5 | -74 | 0 | 0 | 0 | 113.8 | S271 Q272 K278 | S271-H275 PolarHBondContact O-CD2 3.38Å; S271-H275 VanDerWaalsContact O-CD2 3.22Å; S271-H275 PolarHBondContact O-N 3.05Å; Q272-H275 PolarHBondContact O-N 3.02Å; H275-K278 PolarHBondContact O-NZ 3.18Å |
| 276 | A | 98 | Very high | 98.2 | Very high | 71 Ų | 71 | 66 Ų | 66 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.7 | -53 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q272 K278 | Q272-A276 WeakPolarHBondContact O-CB 3.37Å; Q272-A276 PolarHBondContact O-N 3.45Å; A276-K278 VanDerWaalsContact C-N 3.31Å; A276-K278 PolarHBondContact O-N 2.87Å |
| 277 | L | 97.8 | Very high | 98.2 | Very high | 20 Ų | 20 | 65.1 Ų | 65.1 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -84.5 | 1.6 | -173 | -61.9 | -176 | 0 | 0 | 0 | 115.1 | Q251 E254 L255 I273 L279 | Q251-L277 HydrophobicContact CG-CB 4.31Å; Q251-L277 PolarHBondContact NE2-O 3.47Å; E254-L277 HydrophobicContact CB-CD1 4.22Å; E254-L277 HydrophobicContact CB-CD2 3.86Å; E254-L277 HydrophobicContact CG-CD1 4.47Å; E254-L277 HydrophobicContact CG-CD2 4.01Å; L255-L277 HydrophobicContact CD1-CD1 4.4Å; L255-L277 HydrophobicContact CD2-CD1 3.94Å; L255-L277 HydrophobicContact CG-CD1 3.67Å; I273-L277 HydrophobicContact CG2-CD1 3.87Å; I273-L277 HydrophobicContact CG2-CG 4.44Å; I273-L277 WeakPolarHBondContact O-CB 3.26Å; I273-L277 WeakPolarHBondContact O-CG 3.35Å; I273-L277 PolarHBondContact O-N 2.87Å; L277-L279 VanDerWaalsContact C-N 3.26Å; L277-L279 HydrophobicContact CB-CD1 4.22Å; L277-L279 HydrophobicContact CB-CG 4.12Å; L277-L279 PolarHBondContact O-N 3.42Å |
| 278 | K | 98.1 | Very high | 98.2 | Very high | 171 Ų | 171 | 60 Ų | 60 | 74% | 0.743 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 40.7 | -174.6 | -48.6 | -55.9 | 174.3 | -159.9 | 0 | 112.6 | A274 H275 A276 | A274-K278 PolarHBondContact O-N 3.3Å; H275-K278 PolarHBondContact O-NZ 3.18Å; A276-K278 VanDerWaalsContact C-N 3.31Å; A276-K278 PolarHBondContact O-N 2.87Å |
| 279 | L | 97.4 | Very high | 98.2 | Very high | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | trans | -112.3 | 159.7 | 176.5 | -64.2 | -177.2 | 0 | 0 | 0 | 110.4 | F247 L255 A274 L277 Q283 V284 | F247-L279 HydrophobicContact CD1-CD1 3.79Å; F247-L279 HydrophobicContact CD1-CD2 3.77Å; F247-L279 HydrophobicContact CD1-CG 4.46Å; F247-L279 HydrophobicContact CE1-CD1 3.75Å; F247-L279 HydrophobicContact CE1-CD2 3.77Å; F247-L279 HydrophobicContact CE1-CG 4.39Å; L255-L279 HydrophobicContact CD1-CD1 4.15Å; A274-L279 CarbonylContact C-O 3.48Å; A274-L279 WeakPolarHBondContact CA-O 3.46Å; A274-L279 VanDerWaalsContact CB-O 3.29Å; A274-L279 WeakPolarHBondContact CB-O 3.44Å; A274-L279 PolarHBondContact O-N 3.49Å; A274-L279 VanDerWaalsContact O-O 3.13Å; L277-L279 VanDerWaalsContact C-N 3.26Å; L277-L279 HydrophobicContact CB-CD1 4.22Å; L277-L279 HydrophobicContact CB-CG 4.12Å; L277-L279 PolarHBondContact O-N 3.42Å; L279-Q283 HydrophobicContact CB-CB 4.45Å; L279-V284 HydrophobicContact CB-CG2 4.22Å | ||
| 280 | S | 98.2 | Very high | 98.2 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | trans | -75.1 | 148.9 | 165.9 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | V282 Q283 V284 | S280-V282 PolarHBondContact O-N 2.97Å; S280-V282 VanDerWaalsContact O-N 3.11Å; S280-Q283 WeakPolarHBondContact O-CB 3.3Å; S280-Q283 PolarHBondContact O-N 2.97Å; S280-Q283 WeakPolarHBondContact OG-CG 3.38Å; S280-Q283 PolarHBondContact OG-N 3.3Å; S280-Q283 PolarHBondContact OG-OE1 3.09Å; S280-V284 PolarHBondContact O-N 3.22Å; S280-V284 VanDerWaalsContact O-N 3.14Å | ||
| 281 | E | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 62.2 Ų | 62.2 | 27% | 0.271 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -51.7 | -34.5 | 170.2 | -84.4 | -162.1 | -143.1 | 0 | 0 | 112.8 | R270 S271 A274 V284 K285 | R270-E281 WeakPolarHBondContact CD-O 3.46Å; R270-E281 WeakPolarHBondContact CD-OE2 3.25Å; R270-E281 HydrophobicContact CG-CB 4.32Å; R270-E281 HydrophobicContact CG-CG 4.17Å; R270-E281 IonicContact CZ-OE2 3.21Å; R270-E281 IonicContact NH1-OE2 3.11Å; R270-E281 PolarHBondContact NH1-OE2 3.48Å; S271-E281 VanDerWaalsContact CB-OE1 3.25Å; S271-E281 WeakPolarHBondContact CB-OE1 3.48Å; S271-E281 PolarHBondContact OG-OE1 3.3Å; A274-E281 HydrophobicContact CB-CG 4.01Å; E281-V284 PolarHBondContact O-N 2.96Å; E281-K285 VanDerWaalsContact O-CB 3.26Å; E281-K285 WeakPolarHBondContact O-CB 3.41Å; E281-K285 PolarHBondContact O-N 3.47Å |
| 282 | V | 97.9 | Very high | 98.1 | Very high | 91 Ų | 91 | 63 Ų | 63 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.5 | -40.3 | 178.1 | -179 | 0 | 0 | 0 | 0 | 111.1 | S280 K285 I286 | S280-V282 PolarHBondContact O-N 2.97Å; S280-V282 VanDerWaalsContact O-N 3.11Å; V282-K285 PolarHBondContact O-N 3.41Å; V282-I286 HydrophobicContact CG1-CD1 3.81Å; V282-I286 WeakPolarHBondContact O-CB 3.31Å; V282-I286 VanDerWaalsContact O-CG1 3.23Å; V282-I286 WeakPolarHBondContact O-CG1 3.09Å; V282-I286 PolarHBondContact O-N 2.89Å |
| 283 | Q | 97.8 | Very high | 98.1 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 173.5 | -76.2 | 161.2 | -71.2 | 0 | 0 | 111.7 | F247 L279 S280 I286 W287 | F247-Q283 HydrophobicContact CE1-CB 4.03Å; F247-Q283 HydrophobicContact CE1-CG 4.24Å; F247-Q283 HydrophobicContact CZ-CB 4.02Å; F247-Q283 HydrophobicContact CZ-CG 4.29Å; L279-Q283 HydrophobicContact CB-CB 4.45Å; S280-Q283 WeakPolarHBondContact O-CB 3.3Å; S280-Q283 PolarHBondContact O-N 2.97Å; S280-Q283 WeakPolarHBondContact OG-CG 3.38Å; S280-Q283 PolarHBondContact OG-N 3.3Å; S280-Q283 PolarHBondContact OG-OE1 3.09Å; Q283-I286 PolarHBondContact O-N 3.04Å; Q283-W287 WeakPolarHBondContact O-CB 3.4Å; Q283-W287 PolarHBondContact O-N 3.12Å |
| 284 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | L255 L265 R270 I273 A274 L279 S280 E281 I286 W287 F288 | L255-V284 HydrophobicContact CD2-CG1 4.18Å; L265-V284 HydrophobicContact CD1-CG1 3.77Å; R270-V284 HydrophobicContact CG-CB 3.98Å; R270-V284 HydrophobicContact CG-CG1 3.85Å; I273-V284 HydrophobicContact CB-CG1 4.48Å; I273-V284 HydrophobicContact CG2-CG1 4.01Å; I273-V284 HydrophobicContact CG2-CG2 4.23Å; A274-V284 HydrophobicContact CB-CG2 4.12Å; L279-V284 HydrophobicContact CB-CG2 4.22Å; S280-V284 PolarHBondContact O-N 3.22Å; S280-V284 VanDerWaalsContact O-N 3.14Å; E281-V284 PolarHBondContact O-N 2.96Å; V284-I286 PolarHBondContact O-N 3.27Å; V284-W287 PolarHBondContact O-N 2.94Å; V284-F288 HydrophobicContact CG1-CD2 3.98Å; V284-F288 HydrophobicContact CG1-CE2 4.18Å; V284-F288 WeakPolarHBondContact O-CD2 3.44Å; V284-F288 PolarHBondContact O-N 3.02Å |
| 285 | K | 98.2 | Very high | 97.7 | Very high | 108 Ų | 108 | 69.2 Ų | 69.2 | 47% | 0.47 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.1 | -48.9 | 175.2 | -179.6 | 179.1 | 177.7 | -179.7 | 0 | 112 | E281 V282 F288 Q289 | E281-K285 VanDerWaalsContact O-CB 3.26Å; E281-K285 WeakPolarHBondContact O-CB 3.41Å; E281-K285 PolarHBondContact O-N 3.47Å; V282-K285 PolarHBondContact O-N 3.41Å; K285-F288 PolarHBondContact O-N 2.97Å; K285-Q289 VanDerWaalsContact O-CG 3.31Å; K285-Q289 WeakPolarHBondContact O-CG 3.37Å; K285-Q289 PolarHBondContact O-N 3.1Å |
| 286 | I | 98.2 | Very high | 97.6 | Very high | 80 Ų | 80 | 70.1 Ų | 70.1 | 41% | 0.41 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 179.4 | -71.5 | 168.6 | 0 | 0 | 0 | 111 | V282 Q283 V284 Q289 N290 | V282-I286 HydrophobicContact CG1-CD1 3.81Å; V282-I286 WeakPolarHBondContact O-CB 3.31Å; V282-I286 VanDerWaalsContact O-CG1 3.23Å; V282-I286 WeakPolarHBondContact O-CG1 3.09Å; V282-I286 PolarHBondContact O-N 2.89Å; Q283-I286 PolarHBondContact O-N 3.04Å; V284-I286 PolarHBondContact O-N 3.27Å; I286-Q289 PolarHBondContact O-N 3.47Å; I286-N290 WeakPolarHBondContact CG2-ND2 3.46Å; I286-N290 WeakPolarHBondContact O-CB 3.39Å; I286-N290 PolarHBondContact O-N 3.04Å; I286-N290 PolarHBondContact O-ND2 2.89Å |
| 287 | W | 98.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 73 Ų | 73 | 10% | 0.095 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 177.2 | -171.4 | 105.4 | 0 | 0 | 0 | 110.9 | F247 L255 E256 F259 Q283 V284 Q289 N290 R291 | F247-W287 AromaticContact CD2-CD1 3.88Å; F247-W287 AromaticContact CE2-CD1 3.75Å; L255-W287 VanDerWaalsContact C-CH2 3.43Å; L255-W287 HydrophobicContact CB-CD2 3.97Å; L255-W287 HydrophobicContact CB-CE3 3.99Å; L255-W287 HydrophobicContact CB-CH2 3.78Å; L255-W287 HydrophobicContact CB-CZ2 3.72Å; L255-W287 HydrophobicContact CB-CZ3 3.9Å; L255-W287 HydrophobicContact CD1-CB 4.49Å; L255-W287 HydrophobicContact CD1-CD2 3.97Å; L255-W287 HydrophobicContact CD1-CG 3.87Å; L255-W287 HydrophobicContact CD2-CE3 4.38Å; L255-W287 HydrophobicContact CG-CD2 4.38Å; L255-W287 VanDerWaalsContact O-CH2 3.22Å; L255-W287 WeakPolarHBondContact O-CH2 3.23Å; L255-W287 VanDerWaalsContact O-CZ3 3.28Å; L255-W287 WeakPolarHBondContact O-CZ3 3.43Å; E256-W287 HydrophobicContact CG-CH2 3.8Å; E256-W287 HydrophobicContact CG-CZ2 3.73Å; F259-W287 HydrophobicContact CB-CH2 4.16Å; F259-W287 HydrophobicContact CB-CZ3 3.95Å; F259-W287 HydrophobicContact CG-CZ3 4.39Å; Q283-W287 WeakPolarHBondContact O-CB 3.4Å; Q283-W287 PolarHBondContact O-N 3.12Å; V284-W287 PolarHBondContact O-N 2.94Å; W287-Q289 PolarHBondContact O-N 3.28Å; W287-N290 PolarHBondContact O-N 3.37Å; W287-R291 HydrophobicContact CE3-CB 3.92Å; W287-R291 HydrophobicContact CE3-CG 4.44Å; W287-R291 HydrophobicContact CH2-CB 3.99Å; W287-R291 HydrophobicContact CH2-CG 3.65Å; W287-R291 HydrophobicContact CZ2-CG 4.44Å; W287-R291 HydrophobicContact CZ3-CB 3.64Å; W287-R291 HydrophobicContact CZ3-CG 3.66Å; W287-R291 WeakPolarHBondContact O-CB 3.47Å; W287-R291 PolarHBondContact O-N 3.35Å |
| 288 | F | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 75.8 Ų | 75.8 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 178 | -93.3 | -101.5 | 0 | 0 | 0 | 113.1 | L255 E258 F259 L265 V284 K285 R291 R292 | L255-F288 HydrophobicContact CD2-CD2 4.44Å; L255-F288 HydrophobicContact CD2-CE2 3.9Å; E258-F288 HydrophobicContact CB-CZ 4.06Å; F259-F288 HydrophobicContact CB-CE1 4.07Å; F259-F288 HydrophobicContact CB-CZ 4.19Å; F259-F288 AromaticContact CD2-CD1 3.89Å; F259-F288 HydrophobicContact CD2-CD1 3.89Å; F259-F288 AromaticContact CD2-CE1 3.84Å; F259-F288 HydrophobicContact CD2-CE1 3.84Å; F259-F288 HydrophobicContact CG-CE1 4.47Å; L265-F288 HydrophobicContact CD1-CD1 4.17Å; L265-F288 HydrophobicContact CD1-CD2 3.74Å; L265-F288 HydrophobicContact CD1-CE1 3.98Å; L265-F288 HydrophobicContact CD1-CE2 3.56Å; L265-F288 HydrophobicContact CD1-CG 4.07Å; L265-F288 HydrophobicContact CD1-CZ 3.68Å; L265-F288 HydrophobicContact CD2-CE1 3.93Å; L265-F288 HydrophobicContact CD2-CZ 3.94Å; L265-F288 HydrophobicContact CG-CD1 3.94Å; L265-F288 HydrophobicContact CG-CD2 4.41Å; L265-F288 HydrophobicContact CG-CE1 3.68Å; L265-F288 HydrophobicContact CG-CE2 4.21Å; L265-F288 HydrophobicContact CG-CG 4.31Å; L265-F288 HydrophobicContact CG-CZ 3.84Å; V284-F288 HydrophobicContact CG1-CD2 3.98Å; V284-F288 HydrophobicContact CG1-CE2 4.18Å; V284-F288 WeakPolarHBondContact O-CD2 3.44Å; V284-F288 PolarHBondContact O-N 3.02Å; K285-F288 PolarHBondContact O-N 2.97Å; F288-R291 PolarHBondContact O-N 3.27Å; F288-R292 WeakPolarHBondContact O-CG 3.4Å; F288-R292 PolarHBondContact O-N 2.9Å |
| 289 | Q | 98.5 | Very high | 96.5 | Very high | 95 Ų | 95 | 75 Ų | 75 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 171.7 | -75.4 | 173.5 | -13.4 | 0 | 0 | 111.6 | K285 I286 W287 R291 R292 A293 | K285-Q289 VanDerWaalsContact O-CG 3.31Å; K285-Q289 WeakPolarHBondContact O-CG 3.37Å; K285-Q289 PolarHBondContact O-N 3.1Å; I286-Q289 PolarHBondContact O-N 3.47Å; W287-Q289 PolarHBondContact O-N 3.28Å; Q289-R291 VanDerWaalsContact C-N 3.33Å; Q289-R291 PolarHBondContact O-N 2.78Å; Q289-R292 PolarHBondContact O-N 2.69Å; Q289-A293 WeakPolarHBondContact O-CB 3.49Å; Q289-A293 PolarHBondContact O-N 2.63Å |
| 290 | N | 97.8 | Very high | 95.9 | Very high | 102 Ų | 102 | 77.1 Ų | 77.1 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 177.4 | -76 | -48.8 | 0 | 0 | 0 | 112.3 | I286 W287 A293 K294 | I286-N290 WeakPolarHBondContact CG2-ND2 3.46Å; I286-N290 WeakPolarHBondContact O-CB 3.39Å; I286-N290 PolarHBondContact O-N 3.04Å; I286-N290 PolarHBondContact O-ND2 2.89Å; W287-N290 PolarHBondContact O-N 3.37Å; N290-A293 PolarHBondContact O-N 2.78Å; N290-K294 PolarHBondContact O-N 2.83Å |
| 291 | R | 97.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 77.4 Ų | 77.4 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 178 | -172.9 | 66 | -179.3 | -162 | -4.5 | 111.7 | E256 F259 W287 F288 Q289 A293 K294 W295 | E256-R291 VanDerWaalsContact CD-NH2 3.29Å; E256-R291 IonicContact OE1-CZ 3.84Å; E256-R291 IonicContact OE1-NH1 2.95Å; E256-R291 PolarHBondContact OE1-NH1 2.81Å; E256-R291 IonicContact OE1-NH2 3.92Å; E256-R291 IonicContact OE2-CZ 3.73Å; E256-R291 IonicContact OE2-NH1 2.81Å; E256-R291 PolarHBondContact OE2-NH1 3.2Å; E256-R291 VanDerWaalsContact OE2-NH1 3.11Å; E256-R291 IonicContact OE2-NH2 2.73Å; E256-R291 PolarHBondContact OE2-NH2 3.41Å; F259-R291 HydrophobicContact CB-CG 4.25Å; F259-R291 HydrophobicContact CD1-CG 3.5Å; F259-R291 HydrophobicContact CD2-CB 4.1Å; F259-R291 HydrophobicContact CD2-CG 3.49Å; F259-R291 VanDerWaalsContact CD2-CG 3.49Å; F259-R291 HydrophobicContact CE1-CG 3.62Å; F259-R291 HydrophobicContact CE2-CB 4.1Å; F259-R291 HydrophobicContact CE2-CG 3.61Å; F259-R291 HydrophobicContact CG-CB 4.47Å; F259-R291 HydrophobicContact CG-CG 3.44Å; F259-R291 VanDerWaalsContact CG-CG 3.44Å; F259-R291 HydrophobicContact CZ-CB 4.47Å; F259-R291 HydrophobicContact CZ-CG 3.67Å; W287-R291 HydrophobicContact CE3-CB 3.92Å; W287-R291 HydrophobicContact CE3-CG 4.44Å; W287-R291 HydrophobicContact CH2-CB 3.99Å; W287-R291 HydrophobicContact CH2-CG 3.65Å; W287-R291 HydrophobicContact CZ2-CG 4.44Å; W287-R291 HydrophobicContact CZ3-CB 3.64Å; W287-R291 HydrophobicContact CZ3-CG 3.66Å; W287-R291 WeakPolarHBondContact O-CB 3.47Å; W287-R291 PolarHBondContact O-N 3.35Å; F288-R291 PolarHBondContact O-N 3.27Å; Q289-R291 VanDerWaalsContact C-N 3.33Å; Q289-R291 PolarHBondContact O-N 2.78Å; R291-A293 VanDerWaalsContact C-N 3.34Å; R291-A293 PolarHBondContact O-N 3.48Å; R291-K294 PolarHBondContact O-N 2.88Å; R291-W295 WeakPolarHBondContact O-CB 3.49Å; R291-W295 PolarHBondContact O-N 3.33Å |
| 292 | R | 97.9 | Very high | 93.3 | Very high | 52 Ų | 52 | 80.9 Ų | 80.9 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 170.8 | -75.5 | -166.1 | -65.9 | -83.8 | 2.8 | 112.2 | F259 K263 Y264 F288 Q289 K294 W295 K296 | F259-R292 HydrophobicContact CE2-CG 3.77Å; F259-R292 HydrophobicContact CZ-CG 4.3Å; K263-R292 VanDerWaalsContact O-CD 3.3Å; K263-R292 WeakPolarHBondContact O-CD 3.28Å; K263-R292 PolarHBondContact O-NH1 3.43Å; Y264-R292 VanDerWaalsContact CE1-CD 3.49Å; F288-R292 WeakPolarHBondContact O-CG 3.4Å; F288-R292 PolarHBondContact O-N 2.9Å; Q289-R292 PolarHBondContact O-N 2.69Å; R292-K294 PolarHBondContact O-N 2.88Å; R292-W295 PolarHBondContact O-N 3.15Å; R292-K296 PolarHBondContact O-N 2.95Å |
| 293 | A | 97.1 | Very high | 91.6 | Very high | 41 Ų | 41 | 79 Ų | 79 | 34% | 0.339 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q289 N290 R291 R297 | Q289-A293 WeakPolarHBondContact O-CB 3.49Å; Q289-A293 PolarHBondContact O-N 2.63Å; N290-A293 PolarHBondContact O-N 2.78Å; R291-A293 VanDerWaalsContact C-N 3.34Å; R291-A293 PolarHBondContact O-N 3.48Å; A293-R297 PolarHBondContact O-N 2.92Å; A293-R297 PolarHBondContact O-NE 3.05Å; A293-R297 PolarHBondContact O-NH2 2.82Å |
| 294 | K | 95.1 | Very high | 89.4 | Confident | 116 Ų | 116 | 84 Ų | 84 | 50% | 0.504 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.6 | -49 | 170.5 | -173.9 | -177.8 | 178.3 | -174.7 | 0 | 110.7 | N290 R291 R292 K296 R297 V298 | N290-K294 PolarHBondContact O-N 2.83Å; R291-K294 PolarHBondContact O-N 2.88Å; R292-K294 PolarHBondContact O-N 2.88Å; K294-K296 PolarHBondContact O-N 2.83Å; K294-R297 PolarHBondContact O-N 3.26Å; K294-V298 WeakPolarHBondContact O-CG2 3.33Å; K294-V298 PolarHBondContact O-N 3.18Å |
| 295 | W | 94.9 | Very high | 87.2 | Confident | 115 Ų | 115 | 88.4 Ų | 88.4 | 44% | 0.436 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | -179.9 | 176.4 | 72 | 0 | 0 | 0 | 112.8 | F259 R291 R292 R297 V298 K299 | F259-W295 HydrophobicContact CE1-CB 4.34Å; F259-W295 HydrophobicContact CE1-CG 4.43Å; F259-W295 HydrophobicContact CZ-CB 4.08Å; F259-W295 HydrophobicContact CZ-CG 4.29Å; R291-W295 WeakPolarHBondContact O-CB 3.49Å; R291-W295 PolarHBondContact O-N 3.33Å; R292-W295 PolarHBondContact O-N 3.15Å; W295-R297 VanDerWaalsContact C-N 3.35Å; W295-R297 PolarHBondContact O-N 2.97Å; W295-V298 WeakPolarHBondContact O-CA 3.29Å; W295-V298 WeakPolarHBondContact O-CB 3.43Å; W295-V298 PolarHBondContact O-N 3.2Å; W295-K299 PolarHBondContact O-N 3.18Å |
| 296 | K | 95.2 | Very high | 85.1 | Confident | 155 Ų | 155 | 93.4 Ų | 93.4 | 67% | 0.674 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 175.2 | -169.9 | 168.7 | 76.6 | 162.4 | 0 | 112.1 | R292 K294 V298 K299 A300 | R292-K296 PolarHBondContact O-N 2.95Å; K294-K296 PolarHBondContact O-N 2.83Å; K296-V298 VanDerWaalsContact C-N 3.27Å; K296-V298 PolarHBondContact O-N 2.93Å; K296-K299 PolarHBondContact O-N 3.09Å; K296-A300 VanDerWaalsContact O-CB 3.29Å; K296-A300 WeakPolarHBondContact O-CB 3.31Å; K296-A300 PolarHBondContact O-N 3.01Å |
| 297 | R | 93.2 | Very high | 82.6 | Confident | 132 Ų | 132 | 95.8 Ų | 95.8 | 50% | 0.498 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -25.9 | 174 | -83.8 | 179.7 | -84 | 112.1 | -5.5 | 113.7 | A293 K294 W295 N302 V303 | A293-R297 PolarHBondContact O-N 2.92Å; A293-R297 PolarHBondContact O-NE 3.05Å; A293-R297 PolarHBondContact O-NH2 2.82Å; K294-R297 PolarHBondContact O-N 3.26Å; W295-R297 VanDerWaalsContact C-N 3.35Å; W295-R297 PolarHBondContact O-N 2.97Å; R297-N302 PolarHBondContact O-N 2.89Å; R297-V303 HydrophobicContact CB-CG1 4.35Å |
| 298 | V | 90.3 | Very high | 80.1 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 47% | 0.473 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.7 | -51.1 | 172.2 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | K294 W295 K296 A300 G301 V303 | K294-V298 WeakPolarHBondContact O-CG2 3.33Å; K294-V298 PolarHBondContact O-N 3.18Å; W295-V298 WeakPolarHBondContact O-CA 3.29Å; W295-V298 WeakPolarHBondContact O-CB 3.43Å; W295-V298 PolarHBondContact O-N 3.2Å; K296-V298 VanDerWaalsContact C-N 3.27Å; K296-V298 PolarHBondContact O-N 2.93Å; V298-A300 PolarHBondContact O-N 3.04Å; V298-G301 PolarHBondContact O-N 3.38Å; V298-G301 VanDerWaalsContact O-N 3.15Å; V298-V303 HydrophobicContact CB-CG2 4.12Å; V298-V303 HydrophobicContact CG1-CG2 4.45Å; V298-V303 HydrophobicContact CG2-CG2 3.78Å |
| 299 | K | 87.3 | Confident | 77.1 | Confident | 154 Ų | 154 | 103.7 Ų | 103.7 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.3 | -29 | -178.9 | -171.8 | 78.9 | 168.6 | -178.1 | 0 | 112 | E190 W295 K296 G301 | E190-K299 IonicContact OE2-NZ 3.41Å; W295-K299 PolarHBondContact O-N 3.18Å; K296-K299 PolarHBondContact O-N 3.09Å; K299-G301 VanDerWaalsContact C-N 3.28Å; K299-G301 PolarHBondContact O-N 3.09Å |
| 300 | A | 85.3 | Confident | 74.5 | Confident | 66 Ų | 66 | 104.7 Ų | 104.7 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | 17.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | K296 V298 N302 | K296-A300 VanDerWaalsContact O-CB 3.29Å; K296-A300 WeakPolarHBondContact O-CB 3.31Å; K296-A300 PolarHBondContact O-N 3.01Å; V298-A300 PolarHBondContact O-N 3.04Å; A300-N302 PolarHBondContact O-N 3.02Å |
| 301 | G | 77.6 | Confident | 72 | Confident | 58 Ų | 58 | 103.4 Ų | 103.4 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | -9.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | V298 K299 V303 | V298-G301 PolarHBondContact O-N 3.38Å; V298-G301 VanDerWaalsContact O-N 3.15Å; K299-G301 VanDerWaalsContact C-N 3.28Å; K299-G301 PolarHBondContact O-N 3.09Å; G301-V303 PolarHBondContact O-N 3.09Å |
| 302 | N | 63.3 | Low | 70 | Confident | 131 Ų | 131 | 112 Ų | 112 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | trans | -73.4 | 19 | -166.3 | -108.8 | 123.3 | 0 | 0 | 0 | 116.6 | R297 A300 | R297-N302 PolarHBondContact O-N 2.89Å; A300-N302 PolarHBondContact O-N 3.02Å | ||
| 303 | V | 62.1 | Low | 67.7 | Low | 53 Ų | 53 | 116.3 Ų | 116.3 | 32% | 0.321 | 63% | 0.631 | S | S | . | * | trans | -143.7 | 80.9 | -171.6 | -68 | 0 | 0 | 0 | 0 | 114.6 | R297 V298 G301 S305 | R297-V303 HydrophobicContact CB-CG1 4.35Å; V298-V303 HydrophobicContact CB-CG2 4.12Å; V298-V303 HydrophobicContact CG1-CG2 4.45Å; V298-V303 HydrophobicContact CG2-CG2 3.78Å; G301-V303 PolarHBondContact O-N 3.09Å; V303-S305 PolarHBondContact O-N 2.88Å | ||
| 304 | N | 52.8 | Low | 65.7 | Low | 159 Ų | 159 | 119.6 Ų | 119.6 | 85% | 0.85 | 65% | 0.649 | S | S | * | * | trans | -68.5 | 68.3 | 158.2 | -67 | 74.9 | 0 | 0 | 0 | 110.2 | ||||
| 305 | S | 52.6 | Low | 63.7 | Low | 94 Ų | 94 | 123.1 Ų | 123.1 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | trans | -147.5 | 53 | -171.5 | -50.2 | 0 | 0 | 0 | 0 | 111.9 | V303 | V303-S305 PolarHBondContact O-N 2.88Š| ||
| 306 | K | 53.9 | Low | 62.1 | Low | 213 Ų | 213 | 124.3 Ų | 124.3 | 93% | 0.926 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -114.3 | 14.8 | 173.7 | -109.5 | -171.7 | 173 | -169.5 | 0 | 113.6 | ||
| 307 | T | 44.4 | Very low | 60.3 | Low | 129 Ų | 129 | 122.6 Ų | 122.6 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -138.6 | 147.9 | 173.4 | -34 | 0 | 0 | 0 | 0 | 108.6 | E309 | T307-E309 PolarHBondContact O-N 2.84Š|
| 308 | G | 46.5 | Very low | 58.2 | Low | 87 Ų | 87 | 121.2 Ų | 121.2 | 90% | 0.897 | 69% | 0.686 | S | S | * | * | trans | -76.9 | 42.5 | -170 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 309 | E | 34.6 | Very low | 56.5 | Low | 109 Ų | 109 | 122.8 Ų | 122.8 | 51% | 0.509 | 70% | 0.698 | S | S | . | * | trans | -90.9 | 126 | 173.8 | -160 | -82.5 | 133.6 | 0 | 0 | 109.8 | T307 S311 | T307-E309 PolarHBondContact O-N 2.84Å; E309-S311 PolarHBondContact O-N 2.87Å; E309-S311 WeakPolarHBondContact OE2-CA 3.34Å; E309-S311 VanDerWaalsContact OE2-CB 3.31Å; E309-S311 WeakPolarHBondContact OE2-CB 3.47Å; E309-S311 PolarHBondContact OE2-N 3.19Å; E309-S311 PolarHBondContact OE2-OG 2.93Å | ||
| 310 | P | 45.7 | Very low | 54.8 | Low | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 70% | 0.699 | S | S | * | * | trans | -79.7 | 68.4 | 179.8 | 33.5 | -35.2 | 0 | 0 | 0 | 110.8 | R312 | P310-R312 PolarHBondContact O-N 3.36Š| ||
| 311 | S | 45.1 | Very low | 53.1 | Low | 75 Ų | 75 | 124.5 Ų | 124.5 | 52% | 0.524 | 71% | 0.71 | S | S | . | * | trans | -50.5 | 121.7 | -169.9 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | E309 N313 | E309-S311 PolarHBondContact O-N 2.87Å; E309-S311 WeakPolarHBondContact OE2-CA 3.34Å; E309-S311 VanDerWaalsContact OE2-CB 3.31Å; E309-S311 WeakPolarHBondContact OE2-CB 3.47Å; E309-S311 PolarHBondContact OE2-N 3.19Å; E309-S311 PolarHBondContact OE2-OG 2.93Å; S311-N313 PolarHBondContact O-N 2.93Å | ||
| 312 | R | 55.5 | Low | 52 | Low | 220 Ų | 220 | 126.4 Ų | 126.4 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | trans | -66.7 | 116 | -158.1 | -57.5 | 177.6 | -172.6 | -168.9 | 0.5 | 112.1 | P310 | P310-R312 PolarHBondContact O-N 3.36Š| ||
| 313 | N | 48.3 | Very low | 51.8 | Low | 142 Ų | 142 | 128.8 Ų | 128.8 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | trans | 40.2 | 84.2 | 159.5 | -65.7 | -68.4 | 0 | 0 | 0 | 115.2 | S311 K315 | S311-N313 PolarHBondContact O-N 2.93Å; N313-K315 PolarHBondContact O-N 3.36Å | ||
| 314 | P | 55.3 | Low | 51.5 | Low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | trans | -57.2 | 108.2 | 159.5 | 26.3 | -33 | 0 | 0 | 0 | 107.9 | I316 | P314-I316 VanDerWaalsContact C-N 3.25Å; P314-I316 PolarHBondContact O-N 3.35Å | ||
| 315 | K | 53.2 | Low | 51.6 | Low | 191 Ų | 191 | 128.9 Ų | 128.9 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -68.2 | 89.2 | 173.7 | -74.8 | -178 | 178.1 | 177.3 | 0 | 107.7 | N313 V317 | N313-K315 PolarHBondContact O-N 3.36Å; K315-V317 HydrophobicContact CB-CG2 4.46Å; K315-V317 PolarHBondContact O-N 2.78Å | ||
| 316 | I | 62.3 | Low | 51.8 | Low | 140 Ų | 140 | 134 Ų | 134 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | trans | -68.3 | 81.4 | 169.7 | -56.4 | 175.7 | 0 | 0 | 0 | 106.8 | P314 V318 | P314-I316 VanDerWaalsContact C-N 3.25Å; P314-I316 PolarHBondContact O-N 3.35Å; I316-V318 HydrophobicContact CG2-CG2 4.03Å; I316-V318 PolarHBondContact O-N 3.14Å | ||
| 317 | V | 56.4 | Low | 51.8 | Low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | trans | -70.1 | 86 | 165.5 | -179.9 | 0 | 0 | 0 | 0 | 105.9 | K315 P319 | K315-V317 HydrophobicContact CB-CG2 4.46Å; K315-V317 PolarHBondContact O-N 2.78Å; V317-P319 WeakPolarHBondContact O-CD 3.26Å | ||
| 318 | V | 50.4 | Low | 52.4 | Low | 103 Ų | 103 | 129.2 Ų | 129.2 | 62% | 0.624 | 71% | 0.709 | S | S | * | * | trans | -56.3 | 123.4 | 161.6 | -172 | 0 | 0 | 0 | 0 | 105.8 | I316 I320 | I316-V318 HydrophobicContact CG2-CG2 4.03Å; I316-V318 PolarHBondContact O-N 3.14Å; V318-I320 PolarHBondContact O-N 3.45Å | ||
| 319 | P | 53.4 | Low | 52.9 | Low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | trans | -62.2 | 104.3 | 175.1 | -22 | 34.2 | 0 | 0 | 0 | 108.4 | V317 P321 | V317-P319 WeakPolarHBondContact O-CD 3.26Å; P319-P321 WeakPolarHBondContact O-CD 3.41Å | ||
| 320 | I | 51.3 | Low | 54 | Low | 138 Ų | 138 | 135.8 Ų | 135.8 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | trans | -57.6 | 125.1 | 170.1 | -61.5 | 174.3 | 0 | 0 | 0 | 105.9 | V318 V322 | V318-I320 PolarHBondContact O-N 3.45Å; I320-V322 PolarHBondContact O-N 3.33Å | ||
| 321 | P | 51.5 | Low | 54.5 | Low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -61.9 | 99.7 | 177.6 | -24.6 | 35.7 | 0 | 0 | 0 | 109.9 | P319 H323 | P319-P321 WeakPolarHBondContact O-CD 3.41Å; P321-H323 PolarHBondContact O-N 3.3Å | ||
| 322 | V | 53.6 | Low | 55.2 | Low | 98 Ų | 98 | 135.9 Ų | 135.9 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | trans | -77.1 | 49.7 | -176.3 | -73.7 | 0 | 0 | 0 | 0 | 112 | I320 V324 | I320-V322 PolarHBondContact O-N 3.33Å; V322-V324 PolarHBondContact O-N 3.41Å; V322-V324 VanDerWaalsContact O-N 3.09Å | ||
| 323 | H | 58.9 | Low | 55.3 | Low | 181 Ų | 181 | 131.5 Ų | 131.5 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | trans | -82.5 | 29.3 | 178.5 | -146.6 | -66.8 | 0 | 0 | 0 | 113.4 | P321 | P321-H323 PolarHBondContact O-N 3.3Š| ||
| 324 | V | 55.9 | Low | 55.9 | Low | 131 Ų | 131 | 131 Ų | 131 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -131.6 | 102 | 162.2 | -172.2 | 0 | 0 | 0 | 0 | 108.1 | V322 R326 | V322-V324 PolarHBondContact O-N 3.41Å; V322-V324 VanDerWaalsContact O-N 3.09Å; V324-R326 PolarHBondContact O-N 3.34Å; V324-R326 VanDerWaalsContact O-N 3.09Å |
| 325 | S | 55 | Low | 56 | Low | 83 Ų | 83 | 131.6 Ų | 131.6 | 58% | 0.58 | 68% | 0.675 | S | S | * | * | trans | 12.3 | 78.4 | 163.7 | -57.6 | 0 | 0 | 0 | 0 | 117.9 | F327 A328 | S325-F327 PolarHBondContact O-N 3.15Å; S325-A328 WeakPolarHBondContact O-CB 3.33Å; S325-A328 PolarHBondContact O-N 3.41Å | ||
| 326 | R | 56.4 | Low | 56.2 | Low | 200 Ų | 200 | 128.2 Ų | 128.2 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -58.1 | -18.4 | 172.3 | -155.8 | 174.6 | -173.9 | -178.3 | 1.4 | 113.7 | V324 | V324-R326 PolarHBondContact O-N 3.34Å; V324-R326 VanDerWaalsContact O-N 3.09Å |
| 327 | F | 53.3 | Low | 56 | Low | 189 Ų | 189 | 127 Ų | 127 | 83% | 0.829 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.8 | -34.9 | 170.2 | -96.9 | -94 | 0 | 0 | 0 | 114.1 | S325 I329 R330 S331 | S325-F327 PolarHBondContact O-N 3.15Å; F327-I329 PolarHBondContact O-N 3.41Å; F327-R330 PolarHBondContact O-N 3.01Å; F327-S331 PolarHBondContact O-N 3.18Å |
| 328 | A | 58.5 | Low | 56.1 | Low | 53 Ų | 53 | 129.1 Ų | 129.1 | 44% | 0.438 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65.1 | -43.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112 | S325 R330 S331 Q332 | S325-A328 WeakPolarHBondContact O-CB 3.33Å; S325-A328 PolarHBondContact O-N 3.41Å; A328-R330 VanDerWaalsContact C-N 3.26Å; A328-R330 PolarHBondContact O-N 3.04Å; A328-S331 PolarHBondContact O-N 3.18Å; A328-Q332 PolarHBondContact O-N 3.31Å |
| 329 | I | 56.8 | Low | 56.3 | Low | 132 Ų | 132 | 127.9 Ų | 127.9 | 68% | 0.677 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -57.6 | -39.5 | 175.2 | -55.9 | -60.1 | 0 | 0 | 0 | 111.5 | F327 H333 | F327-I329 PolarHBondContact O-N 3.41Å; I329-H333 PolarHBondContact O-N 3.49Å |
| 330 | R | 56.8 | Low | 56.2 | Low | 203 Ų | 203 | 130.8 Ų | 130.8 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.6 | -34 | -179.9 | -155.5 | 176.1 | -167.8 | -176.2 | 2.6 | 112.2 | F327 A328 Q334 | F327-R330 PolarHBondContact O-N 3.01Å; A328-R330 VanDerWaalsContact C-N 3.26Å; A328-R330 PolarHBondContact O-N 3.04Å; R330-Q334 PolarHBondContact O-N 3.02Å |
| 331 | S | 57 | Low | 56.6 | Low | 59 Ų | 59 | 133.4 Ų | 133.4 | 41% | 0.413 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -68.4 | -46 | 175.9 | -178 | 0 | 0 | 0 | 0 | 112.3 | F327 A328 H333 Q334 Q335 | F327-S331 PolarHBondContact O-N 3.18Å; A328-S331 PolarHBondContact O-N 3.18Å; S331-H333 VanDerWaalsContact C-N 3.33Å; S331-H333 PolarHBondContact O-N 3.42Å; S331-Q334 WeakPolarHBondContact O-CB 3.5Å; S331-Q334 PolarHBondContact O-N 3.27Å; S331-Q334 VanDerWaalsContact O-N 3.15Å; S331-Q335 PolarHBondContact O-N 3.45Å |
| 332 | Q | 58.4 | Low | 56.9 | Low | 133 Ų | 133 | 134.1 Ų | 134.1 | 62% | 0.621 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.2 | -35.8 | -179.2 | -161.2 | -174.9 | 43.9 | 0 | 0 | 112.4 | A328 Q334 Q335 L336 | A328-Q332 PolarHBondContact O-N 3.31Å; Q332-Q334 VanDerWaalsContact C-N 3.29Å; Q332-Q334 PolarHBondContact O-N 3.47Å; Q332-Q335 PolarHBondContact O-N 2.88Å; Q332-L336 PolarHBondContact O-N 3.03Å |
| 333 | H | 58.4 | Low | 57.1 | Low | 127 Ų | 127 | 136 Ų | 136 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -61.8 | -36.5 | 174 | -175.3 | 54.6 | 0 | 0 | 0 | 112.5 | I329 S331 L336 | I329-H333 PolarHBondContact O-N 3.49Å; S331-H333 VanDerWaalsContact C-N 3.33Å; S331-H333 PolarHBondContact O-N 3.42Å; H333-L336 PolarHBondContact O-N 3.42Å |
| 334 | Q | 60.3 | Low | 57 | Low | 131 Ų | 131 | 133.5 Ų | 133.5 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.1 | -30.5 | 178.6 | -170.4 | 171.9 | 8.8 | 0 | 0 | 113.1 | R330 S331 Q332 | R330-Q334 PolarHBondContact O-N 3.02Å; S331-Q334 WeakPolarHBondContact O-CB 3.5Å; S331-Q334 PolarHBondContact O-N 3.27Å; S331-Q334 VanDerWaalsContact O-N 3.15Å; Q332-Q334 VanDerWaalsContact C-N 3.29Å; Q332-Q334 PolarHBondContact O-N 3.47Å |
| 335 | Q | 58.8 | Low | 57 | Low | 124 Ų | 124 | 133.6 Ų | 133.6 | 58% | 0.579 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.8 | -33.6 | 176.7 | -68.2 | 178.1 | -3.8 | 0 | 0 | 112.4 | S331 Q332 E337 Q338 A339 | S331-Q335 PolarHBondContact O-N 3.45Å; Q332-Q335 PolarHBondContact O-N 2.88Å; Q335-E337 VanDerWaalsContact C-N 3.34Å; Q335-E337 PolarHBondContact O-N 3.3Å; Q335-Q338 PolarHBondContact O-N 2.86Å; Q335-A339 PolarHBondContact O-N 3Å |
| 336 | L | 57.1 | Low | 57.2 | Low | 120 Ų | 120 | 136.8 Ų | 136.8 | 63% | 0.628 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -64.4 | -34.8 | 177.3 | -98.7 | 162.4 | 0 | 0 | 0 | 113.3 | Q332 H333 Q338 A339 | Q332-L336 PolarHBondContact O-N 3.03Å; H333-L336 PolarHBondContact O-N 3.42Å; L336-Q338 VanDerWaalsContact C-N 3.34Å; L336-A339 PolarHBondContact O-N 2.78Å |
| 337 | E | 58.2 | Low | 57.2 | Low | 114 Ų | 114 | 132.6 Ų | 132.6 | 53% | 0.533 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -78.3 | -15.6 | 178 | -72.4 | -80.1 | 93.3 | 0 | 0 | 113.3 | Q335 R340 | Q335-E337 VanDerWaalsContact C-N 3.34Å; Q335-E337 PolarHBondContact O-N 3.3Å; E337-R340 IonicContact OE1-CZ 2.66Å; E337-R340 IonicContact OE1-NH1 2.65Å; E337-R340 PolarHBondContact OE1-NH1 3Å; E337-R340 IonicContact OE1-NH2 3.49Å; E337-R340 PolarHBondContact OE1-NH2 3.09Å; E337-R340 VanDerWaalsContact OE1-NH2 3.14Å |
| 338 | Q | 58 | Low | 57.5 | Low | 162 Ų | 162 | 128.6 Ų | 128.6 | 76% | 0.757 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -7.3 | 171.6 | -71.1 | -171 | -16.5 | 0 | 0 | 113.7 | Q335 L336 | Q335-Q338 PolarHBondContact O-N 2.86Å; L336-Q338 VanDerWaalsContact C-N 3.34Å |
| 339 | A | 55.7 | Low | 57.4 | Low | 78 Ų | 78 | 134.4 Ų | 134.4 | 65% | 0.645 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -107 | 12.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q335 L336 | Q335-A339 PolarHBondContact O-N 3Å; L336-A339 PolarHBondContact O-N 2.78Å |
| 340 | R | 50.1 | Low | 57.5 | Low | 172 Ų | 172 | 134.6 Ų | 134.6 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | trans | -89.4 | 120.8 | 170.9 | -173.5 | 177.4 | -67.4 | 115.9 | 5.7 | 109 | E337 | E337-R340 IonicContact OE1-CZ 2.66Å; E337-R340 IonicContact OE1-NH1 2.65Å; E337-R340 PolarHBondContact OE1-NH1 3Å; E337-R340 IonicContact OE1-NH2 3.49Å; E337-R340 PolarHBondContact OE1-NH2 3.09Å; E337-R340 VanDerWaalsContact OE1-NH2 3.14Å | ||
| 341 | P | 60.8 | Low | 57.5 | Low | 192 Ų | 192 | 128.4 Ų | 128.4 | 100% | 1.247 | 66% | 0.661 | S | S | * | * | trans | -75.4 | 0 | 177.3 | 34.1 | -36.6 | 0 | 0 | 0 | 112.7 |
Retrieved 341 of 341 residues in 164.7 ms
(Link to these results)