| 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 | 42 | Very low | 52.5 | Low | 245 Ų | 245 | 143.3 Ų | 143.3 | 100% | 1.207 | 68% | 0.682 | S | S | * | * | 0 | 144.2 | 0 | -75.2 | 179.1 | 156.1 | 0 | 0 | 108.8 | |||||
| 2 | Q | 46.6 | Very low | 52.4 | Low | 140 Ų | 140 | 139.8 Ų | 139.8 | 65% | 0.654 | 67% | 0.67 | S | S | * | * | trans | -90.6 | 129 | -174.7 | -68.7 | -169 | -5.5 | 0 | 0 | 112.6 | W4 Q5 | Q2-W4 VanDerWaalsContact C-N 3.28Å; Q2-W4 PolarHBondContact O-N 3.3Å; Q2-Q5 PolarHBondContact O-N 2.87Å | ||
| 3 | P | 50 | Low | 52.2 | Low | 98 Ų | 98 | 133.5 Ų | 133.5 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.5 | -28 | -174.8 | 26.3 | -34.8 | 0 | 0 | 0 | 113.5 | Q5 C6 L7 | P3-Q5 PolarHBondContact O-N 3.02Å; P3-C6 WeakPolarHBondContact O-CB 3.18Å; P3-C6 PolarHBondContact O-N 3.42Å; P3-L7 PolarHBondContact O-N 2.95Å |
| 4 | W | 45.8 | Very low | 52.4 | Low | 192 Ų | 192 | 133.7 Ų | 133.7 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -56.3 | -32.9 | 178.3 | -62.4 | 98.7 | 0 | 0 | 0 | 113.9 | Q2 L7 R8 | Q2-W4 VanDerWaalsContact C-N 3.28Å; Q2-W4 PolarHBondContact O-N 3.3Å; W4-L7 PolarHBondContact O-N 3.35Å; W4-R8 WeakPolarHBondContact O-CB 3.48Å; W4-R8 PolarHBondContact O-N 2.7Å |
| 5 | Q | 49.4 | Very low | 52.3 | Low | 107 Ų | 107 | 135 Ų | 135 | 50% | 0.5 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.3 | -34.7 | 177.1 | -66.5 | -75 | 21.3 | 0 | 0 | 112.2 | Q2 P3 R9 | Q2-Q5 PolarHBondContact O-N 2.87Å; P3-Q5 PolarHBondContact O-N 3.02Å; Q5-R9 WeakPolarHBondContact O-CG 3.18Å; Q5-R9 PolarHBondContact O-N 3.42Å; Q5-R9 VanDerWaalsContact O-N 3.14Å |
| 6 | C | 53 | Low | 51.7 | Low | 93 Ų | 93 | 135.5 Ų | 135.5 | 63% | 0.628 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.6 | -43.7 | 175.7 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | P3 R8 R9 F10 | P3-C6 WeakPolarHBondContact O-CB 3.18Å; P3-C6 PolarHBondContact O-N 3.42Å; C6-R8 PolarHBondContact O-N 3.08Å; C6-R9 PolarHBondContact O-N 3.16Å; C6-F10 PolarHBondContact O-N 3.36Å |
| 7 | L | 58.3 | Low | 51.1 | Low | 121 Ų | 121 | 140 Ų | 140 | 63% | 0.634 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.6 | -44.4 | 177.2 | -153.7 | 76.4 | 0 | 0 | 0 | 111.3 | P3 W4 R9 F10 A11 | P3-L7 PolarHBondContact O-N 2.95Å; W4-L7 PolarHBondContact O-N 3.35Å; L7-R9 PolarHBondContact O-N 3.26Å; L7-F10 PolarHBondContact O-N 3.21Å; L7-A11 WeakPolarHBondContact O-CB 3.23Å; L7-A11 PolarHBondContact O-N 3.01Å |
| 8 | R | 56.3 | Low | 51.1 | Low | 168 Ų | 168 | 136.3 Ų | 136.3 | 63% | 0.634 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -58.7 | -43.1 | 176 | -172.7 | -179.8 | -177.1 | -169.3 | 2.6 | 112.7 | W4 C6 L12 | W4-R8 WeakPolarHBondContact O-CB 3.48Å; W4-R8 PolarHBondContact O-N 2.7Å; C6-R8 PolarHBondContact O-N 3.08Å; R8-L12 HydrophobicContact CG-CD1 4.36Å; R8-L12 WeakPolarHBondContact O-CG 3.14Å; R8-L12 PolarHBondContact O-N 2.84Å; R8-L12 VanDerWaalsContact O-N 3.15Å |
| 9 | R | 58.8 | Low | 50.7 | Low | 197 Ų | 197 | 132.6 Ų | 132.6 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.3 | -36.7 | 177.6 | -70.8 | -178.5 | 73.4 | 176.7 | 3.8 | 112.5 | Q5 C6 L7 A13 | Q5-R9 WeakPolarHBondContact O-CG 3.18Å; Q5-R9 PolarHBondContact O-N 3.42Å; Q5-R9 VanDerWaalsContact O-N 3.14Å; C6-R9 PolarHBondContact O-N 3.16Å; L7-R9 PolarHBondContact O-N 3.26Å; R9-A13 PolarHBondContact O-N 3.12Å |
| 10 | F | 61.3 | Low | 50.2 | Low | 164 Ų | 164 | 134.8 Ų | 134.8 | 72% | 0.719 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70 | -40.5 | 177.4 | -157.5 | -91.5 | 0 | 0 | 0 | 112.1 | C6 L7 A13 W14 | C6-F10 PolarHBondContact O-N 3.36Å; L7-F10 PolarHBondContact O-N 3.21Å; F10-A13 PolarHBondContact O-N 2.9Å; F10-W14 PolarHBondContact O-N 2.85Å; F10-W14 VanDerWaalsContact O-N 3.11Å |
| 11 | A | 55.6 | Low | 49.8 | Very low | 51 Ų | 51 | 131.7 Ų | 131.7 | 42% | 0.421 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.5 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L7 W14 W15 | L7-A11 WeakPolarHBondContact O-CB 3.23Å; L7-A11 PolarHBondContact O-N 3.01Å; A11-W14 PolarHBondContact O-N 2.85Å; A11-W15 WeakPolarHBondContact O-CB 3.47Å; A11-W15 PolarHBondContact O-N 2.99Å |
| 12 | L | 51.7 | Low | 49.6 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 53% | 0.534 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.5 | -45.6 | 175.5 | -75.2 | 166.7 | 0 | 0 | 0 | 112.1 | R8 W14 W15 E16 | R8-L12 HydrophobicContact CG-CD1 4.36Å; R8-L12 WeakPolarHBondContact O-CG 3.14Å; R8-L12 PolarHBondContact O-N 2.84Å; R8-L12 VanDerWaalsContact O-N 3.15Å; L12-W14 PolarHBondContact O-N 2.84Å; L12-W15 PolarHBondContact O-N 2.97Å; L12-E16 WeakPolarHBondContact O-CB 3.44Å; L12-E16 PolarHBondContact O-N 2.77Å |
| 13 | A | 49.5 | Very low | 49.2 | Very low | 57 Ų | 57 | 129.3 Ų | 129.3 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.5 | -23.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R9 F10 | R9-A13 PolarHBondContact O-N 3.12Å; F10-A13 PolarHBondContact O-N 2.9Å |
| 14 | W | 55.5 | Low | 48.5 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 52% | 0.519 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -81.6 | -37.7 | 173.3 | -177.9 | 77.6 | 0 | 0 | 0 | 112.5 | F10 A11 L12 T18 H255 | F10-W14 PolarHBondContact O-N 2.85Å; F10-W14 VanDerWaalsContact O-N 3.11Å; A11-W14 PolarHBondContact O-N 2.85Å; L12-W14 PolarHBondContact O-N 2.84Å; W14-T18 PolarHBondContact O-N 3.16Å; W14-T18 PolarHBondContact O-OG1 2.71Å; W14-H255 AromaticContact CH2-CE1 3.62Å; W14-H255 AromaticContact CH2-ND1 3.46Å; W14-H255 WeakPolarHBondContact CH2-ND1 3.06Å; W14-H255 AromaticContact CZ2-CE1 3.72Å; W14-H255 AromaticContact CZ2-ND1 3.79Å |
| 15 | W | 50.9 | Low | 47.8 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 58% | 0.58 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.4 | -48.6 | 175 | 178.6 | -94.2 | 0 | 0 | 0 | 112.1 | A11 L12 R17 T18 A19 | A11-W15 WeakPolarHBondContact O-CB 3.47Å; A11-W15 PolarHBondContact O-N 2.99Å; L12-W15 PolarHBondContact O-N 2.97Å; W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 2.92Å; W15-T18 PolarHBondContact O-N 2.87Å; W15-T18 PolarHBondContact O-OG1 3.45Å; W15-T18 VanDerWaalsContact O-OG1 3.08Å; W15-A19 PolarHBondContact O-N 2.73Å |
| 16 | E | 43.1 | Very low | 47.3 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 67% | 0.668 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -56.8 | -43.5 | -178.8 | -164.2 | 163.6 | -127.2 | 0 | 0 | 111.5 | L12 T18 | L12-E16 WeakPolarHBondContact O-CB 3.44Å; L12-E16 PolarHBondContact O-N 2.77Å; E16-T18 VanDerWaalsContact C-N 3.3Å; E16-T18 PolarHBondContact O-N 2.97Å |
| 17 | R | 40.4 | Very low | 46.2 | Very low | 212 Ų | 212 | 139.5 Ų | 139.5 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.5 | -16.4 | 176.7 | -173.1 | 169.1 | -65 | -173.6 | 0.6 | 115 | W15 | W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 2.92Å |
| 18 | T | 50.8 | Low | 45 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 45% | 0.448 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -103.8 | -16.8 | -179.2 | 44.9 | 0 | 0 | 0 | 0 | 113.6 | W14 W15 E16 | W14-T18 PolarHBondContact O-N 3.16Å; W14-T18 PolarHBondContact O-OG1 2.71Å; W15-T18 PolarHBondContact O-N 2.87Å; W15-T18 PolarHBondContact O-OG1 3.45Å; W15-T18 VanDerWaalsContact O-OG1 3.08Å; E16-T18 VanDerWaalsContact C-N 3.3Å; E16-T18 PolarHBondContact O-N 2.97Å |
| 19 | A | 43.7 | Very low | 43.9 | Very low | 67 Ų | 67 | 142 Ų | 142 | 55% | 0.554 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -71.2 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | W15 G21 | W15-A19 PolarHBondContact O-N 2.73Å; A19-G21 PolarHBondContact O-N 3.22Å |
| 20 | E | 40.4 | Very low | 42.7 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -15.5 | -173.6 | -60.4 | -176.1 | 128 | 0 | 0 | 114.2 | ||
| 21 | G | 42.2 | Very low | 41.4 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -1.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | A19 | A19-G21 PolarHBondContact O-N 3.22Š|
| 22 | R | 39.1 | Very low | 41 | Very low | 232 Ų | 232 | 136.4 Ų | 136.4 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | trans | -141.4 | 57.2 | -166.4 | -151.9 | -179.3 | -174 | -149 | -0.9 | 116.8 | ||||
| 23 | A | 37 | Very low | 40.1 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | trans | -105.8 | 58.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 24 | R | 35.7 | Very low | 39.4 | Very low | 242 Ų | 242 | 148.4 Ų | 148.4 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | trans | -144.5 | 130.4 | 160.4 | -74.9 | -163.6 | 177.3 | -174.2 | -0.9 | 110.9 | ||||
| 25 | S | 31.5 | Very low | 39.3 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -94.5 | 148.5 | 174.1 | 41.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 26 | P | 37.7 | Very low | 38.4 | Very low | 126 Ų | 126 | 144 Ų | 144 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -75.9 | 151.6 | 159.8 | 33.8 | -32.3 | 0 | 0 | 0 | 109.9 | ||||
| 27 | R | 31.1 | Very low | 37.7 | Very low | 223 Ų | 223 | 141.2 Ų | 141.2 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | -113.4 | 159.4 | 171.2 | -170.3 | 168.7 | -179.5 | -166.1 | -3.2 | 110.4 | ||||
| 28 | E | 33.7 | Very low | 37.3 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -54.7 | 154.8 | -161.8 | -59.5 | 132.9 | 109.7 | 0 | 0 | 117.5 | ||||
| 29 | E | 33.3 | Very low | 36.3 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -76.5 | 153.9 | 167.5 | -178.9 | -174.9 | 125.8 | 0 | 0 | 111.5 | ||||
| 30 | A | 32.2 | Very low | 35.8 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -127.4 | 130.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 31 | G | 33.5 | Very low | 36 | Very low | 66 Ų | 66 | 146.5 Ų | 146.5 | 68% | 0.68 | 83% | 0.83 | S | S | * | * | trans | -80 | 170.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 32 | P | 48.2 | Very low | 35.7 | Very low | 128 Ų | 128 | 150 Ų | 150 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | trans | -91.4 | 158.7 | -166.9 | 36.1 | -37.2 | 0 | 0 | 0 | 115.2 | ||||
| 33 | R | 33.2 | Very low | 36.2 | Very low | 257 Ų | 257 | 143.8 Ų | 143.8 | 97% | 0.97 | 82% | 0.822 | S | S | * | * | trans | -144.5 | 154.6 | 158 | -72.4 | -166.7 | 174.3 | -177.5 | -1.9 | 110.3 | ||||
| 34 | D | 35 | Very low | 35.9 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -125 | -171.4 | -167.1 | -147.9 | 11.9 | 0 | 0 | 0 | 110.5 | ||||
| 35 | P | 53.5 | Low | 35.7 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | -126.2 | 168.9 | -104.5 | 40.2 | -25 | 0 | 0 | 0 | 117.3 | |||||
| 36 | G | 30.5 | Very low | 35.7 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | 109.5 | 139.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 37 | G | 29.3 | Very low | 35.5 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | 163.4 | 129.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 38 | R | 32.6 | Very low | 36.8 | Very low | 260 Ų | 260 | 138.7 Ų | 138.7 | 98% | 0.981 | 80% | 0.804 | S | S | * | * | trans | -89.7 | 158.1 | -175.2 | -62.6 | 176.2 | 173.2 | -168.9 | -2.9 | 113.7 | ||||
| 39 | G | 29.3 | Very low | 37.3 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | 178.9 | 130 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 40 | E | 32 | Very low | 37.2 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -130.4 | 171 | 174.1 | -128.1 | -166.3 | 113.9 | 0 | 0 | 107.1 | ||||
| 41 | P | 46.6 | Very low | 37.3 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | cis | -135.4 | -160.9 | -4.9 | 39 | -17.2 | 0 | 0 | 0 | 115.1 | ||||
| 42 | D | 34.4 | Very low | 37.2 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | trans | -61.1 | -175.6 | 173.1 | -141.7 | 34 | 0 | 0 | 0 | 114 | ||||
| 43 | P | 50.5 | Low | 36.6 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 66% | 0.656 | 81% | 0.806 | S | S | * | * | cis | -144.8 | 177.2 | 9 | 44.1 | -24.3 | 0 | 0 | 0 | 119.2 | ||||
| 44 | E | 29.7 | Very low | 36.8 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | 170.2 | 146.9 | 125.8 | -94.6 | -103.7 | 103.9 | 0 | 0 | 116 | |||||
| 45 | R | 32.5 | Very low | 36.9 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | 79 | 98.9 | 148 | -84.3 | 168.7 | 170.6 | -97.4 | -7.7 | 124.7 | ||||
| 46 | S | 31.3 | Very low | 36.2 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | 86.8 | 144 | 124 | -60.5 | 0 | 0 | 0 | 0 | 122 | |||||
| 47 | S | 33.2 | Very low | 36.2 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -143.3 | -167.2 | 177.7 | -48.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 48 | P | 57.4 | Low | 36.4 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | -99.6 | -162 | -80.4 | 41.5 | -28.1 | 0 | 0 | 0 | 110.9 | |||||
| 49 | P | 46.1 | Very low | 37.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | -160.8 | 171.1 | 77.4 | 43.1 | -21.3 | 0 | 0 | 0 | 119.8 | |||||
| 50 | M | 30.2 | Very low | 37.6 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | 74.4 | 169.1 | 143.2 | -79 | 173.9 | 74.2 | 0 | 0 | 123.9 | ||||
| 51 | L | 35 | Very low | 37.8 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -130.4 | -176.1 | -163 | -66 | 166.7 | 0 | 0 | 0 | 111.5 | ||||
| 52 | S | 31.5 | Very low | 37 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | trans | 98.5 | 146 | 169.5 | -156.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 53 | A | 34.1 | Very low | 37 | Very low | 73 Ų | 73 | 148.5 Ų | 148.5 | 60% | 0.603 | 77% | 0.771 | S | S | * | * | cis | -167.4 | -173.9 | -27.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 54 | D | 37.3 | Very low | 36.3 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 65.7 | 172.2 | 168.2 | -62.1 | -126.9 | 0 | 0 | 0 | 117.9 | ||||
| 55 | D | 37.1 | Very low | 36.7 | Very low | 154 Ų | 154 | 151 Ų | 151 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | -152.7 | -163.2 | -73.4 | -154.1 | 32.7 | 0 | 0 | 0 | 107.6 | |||||
| 56 | A | 38.6 | Very low | 36.7 | Very low | 75 Ų | 75 | 145.1 Ų | 145.1 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | cis | -159.1 | 155.4 | 7.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 57 | E | 31.3 | Very low | 36.9 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | 61.7 | 157.6 | 146.8 | -154.9 | 163.1 | -171.7 | 0 | 0 | 123.3 | ||||
| 58 | Y | 34.6 | Very low | 36.8 | Very low | 209 Ų | 209 | 142.5 Ų | 142.5 | 82% | 0.82 | 80% | 0.799 | S | S | * | * | trans | -92.2 | 168 | -173.8 | -108.9 | -95.8 | 0 | 0 | 0 | 113.9 | ||||
| 59 | P | 47.2 | Very low | 35.6 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | -150.2 | 135 | 106.3 | 34.4 | -15.9 | 0 | 0 | 0 | 118.3 | |||||
| 60 | R | 38.3 | Very low | 35.1 | Very low | 216 Ų | 216 | 139.8 Ų | 139.8 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | 67.7 | 96.5 | 132.9 | -61.6 | 174.6 | -172 | 141.4 | 9 | 122 | ||||
| 61 | E | 36.6 | Very low | 35.2 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | -7.3 | 142.6 | 123.1 | 43.7 | 164.2 | -175.4 | 0 | 0 | 119.7 | |||||
| 62 | Y | 30.8 | Very low | 35.2 | Very low | 184 Ų | 184 | 130.6 Ų | 130.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | -174.8 | 139.3 | 126.4 | -112.9 | -68 | 0 | 0 | 0 | 114.4 | |||||
| 63 | R | 33.2 | Very low | 35.5 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 47.9 | 121.5 | 160.8 | -80 | 153.7 | -174 | 162 | 2.5 | 118.9 | ||||
| 64 | T | 35.9 | Very low | 35.6 | Very low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | 66.6 | 110 | 47.7 | -47.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 65 | L | 39.7 | Very low | 35.4 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -174.6 | 153.8 | 142.7 | -107 | 178.7 | 0 | 0 | 0 | 112.4 | ||||
| 66 | G | 31 | Very low | 36 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 85.9 | 123.8 | 154 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 67 | G | 35.8 | Very low | 36.1 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -145.2 | 160 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 68 | G | 31.6 | Very low | 36.4 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | 113.8 | 152.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 69 | G | 31.3 | Very low | 36.5 | Very low | 84 Ų | 84 | 134.8 Ų | 134.8 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | 97.4 | 91.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 70 | G | 35.7 | Very low | 36.1 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | trans | -72 | 169.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 71 | G | 33.7 | Very low | 36.5 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | 155.7 | 94.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 72 | G | 35.1 | Very low | 37.1 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | trans | 83.3 | 139.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 73 | S | 36.3 | Very low | 37.6 | Very low | 129 Ų | 129 | 128 Ų | 128 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | trans | 67.7 | 102 | 148.6 | -155.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 74 | G | 36.6 | Very low | 38.3 | Very low | 79 Ų | 79 | 123.6 Ų | 123.6 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | 90.1 | 161.4 | 122.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 75 | G | 34 | Very low | 38.9 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | 102.2 | 88.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R77 | G75-R77 PolarHBondContact O-N 3.22Š| ||
| 76 | R | 50 | Low | 39.3 | Very low | 250 Ų | 250 | 121 Ų | 121 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | trans | -58 | 126.9 | 171 | -55.3 | 168.6 | -129 | -118.1 | -2 | 111.5 | ||||
| 77 | R | 40.6 | Very low | 40.1 | Very low | 231 Ų | 231 | 120.8 Ų | 120.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -161.4 | 102.4 | 152.1 | -110.2 | 172.9 | -170.1 | -110.6 | 3.1 | 110.6 | G75 | G75-R77 PolarHBondContact O-N 3.22Š| ||
| 78 | F | 36.8 | Very low | 40.6 | Very low | 210 Ų | 210 | 125 Ų | 125 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -94.5 | 118.7 | 161.6 | -84.8 | -77.9 | 0 | 0 | 0 | 108.3 | ||||
| 79 | S | 37.2 | Very low | 41.3 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -93.1 | 119.4 | 175.4 | -62.3 | 0 | 0 | 0 | 0 | 109.3 | V81 | S79-V81 VanDerWaalsContact C-N 3.25Å; S79-V81 PolarHBondContact O-N 3.48Å | ||
| 80 | N | 39.3 | Very low | 42.1 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -78.1 | 70.6 | 177.2 | -75.3 | 2.6 | 0 | 0 | 0 | 111.5 | ||||
| 81 | V | 46.7 | Very low | 42.7 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -138.6 | 119.5 | 169.9 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | S79 | S79-V81 VanDerWaalsContact C-N 3.25Å; S79-V81 PolarHBondContact O-N 3.48Å | ||
| 82 | G | 47.9 | Very low | 43.7 | Very low | 72 Ų | 72 | 139.4 Ų | 139.4 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 96.3 | 82 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 83 | L | 41 | Very low | 44.4 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -139 | 90.1 | 151.7 | -172.1 | 66.8 | 0 | 0 | 0 | 109.8 | ||||
| 84 | V | 48.4 | Very low | 45.3 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | trans | -94.7 | 115.5 | 180 | -179 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 85 | H | 49.3 | Very low | 46 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 45.1 | 73.7 | 159.9 | -57.5 | 115.1 | 0 | 0 | 0 | 119.6 | ||
| 86 | T | 48.3 | Very low | 46.8 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 50% | 0.503 | 70% | 0.704 | S | S | . | * | trans | -140.7 | 17.9 | 154.7 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | E88 | T86-E88 PolarHBondContact O-N 2.85Š| ||
| 87 | S | 47.5 | Very low | 46.9 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | trans | -99.6 | 32.9 | -154 | 55.6 | 0 | 0 | 0 | 0 | 116.5 | H91 | S87-H91 VanDerWaalsContact C-CD2 3.47Å; S87-H91 PolarHBondContact O-CD2 2.82Å | ||
| 88 | E | 46.5 | Very low | 47.5 | Very low | 173 Ų | 173 | 123.6 Ų | 123.6 | 81% | 0.808 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -114 | -60.9 | 177.6 | -163.3 | 145.7 | -141.2 | 0 | 0 | 111.6 | T86 R90 H91 | T86-E88 PolarHBondContact O-N 2.85Å; E88-R90 PolarHBondContact O-N 3.47Å; E88-H91 PolarHBondContact O-N 2.77Å |
| 89 | R | 44.3 | Very low | 48.2 | Very low | 230 Ų | 230 | 119.6 Ų | 119.6 | 87% | 0.868 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -12.4 | -178 | -151.1 | 176.7 | -166.2 | -137.8 | 1.7 | 115.3 | ||
| 90 | R | 48.2 | Very low | 49.1 | Very low | 166 Ų | 166 | 121.8 Ų | 121.8 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -22.2 | 178.6 | -66.2 | -175.4 | 179.5 | -177.5 | 1.6 | 113.7 | E88 I94 | E88-R90 PolarHBondContact O-N 3.47Å; R90-I94 WeakPolarHBondContact O-CG1 3.49Å; R90-I94 PolarHBondContact O-N 2.97Å |
| 91 | H | 49.7 | Very low | 49.7 | Very low | 143 Ų | 143 | 117 Ų | 117 | 66% | 0.662 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80 | -35.8 | -169.5 | -74 | -108.8 | 0 | 0 | 0 | 112.8 | S87 E88 A95 | S87-H91 VanDerWaalsContact C-CD2 3.47Å; S87-H91 PolarHBondContact O-CD2 2.82Å; E88-H91 PolarHBondContact O-N 2.77Å; H91-A95 VanDerWaalsContact O-CB 3.28Å; H91-A95 WeakPolarHBondContact O-CB 3.48Å; H91-A95 PolarHBondContact O-N 3.08Å |
| 92 | T | 53.8 | Low | 49.8 | Very low | 101 Ų | 101 | 116 Ų | 116 | 62% | 0.62 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63 | -41.7 | 175.4 | 41.1 | 0 | 0 | 0 | 0 | 112.9 | A95 A96 | T92-A95 PolarHBondContact O-N 2.84Å; T92-A96 PolarHBondContact O-N 2.98Å; T92-A96 VanDerWaalsContact O-N 3.07Å |
| 93 | V | 51.1 | Low | 50.3 | Low | 95 Ų | 95 | 116.3 Ų | 116.3 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.7 | -45.6 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | A96 Q97 | V93-A96 PolarHBondContact O-N 2.78Å; V93-Q97 PolarHBondContact O-N 3.41Å; V93-Q97 VanDerWaalsContact O-N 3.17Å |
| 94 | I | 53.3 | Low | 51 | Low | 114 Ų | 114 | 111.1 Ų | 111.1 | 59% | 0.585 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67 | -38.1 | 178.8 | -64.1 | 170.1 | 0 | 0 | 0 | 111 | R90 S98 | R90-I94 WeakPolarHBondContact O-CG1 3.49Å; R90-I94 PolarHBondContact O-N 2.97Å; I94-S98 WeakPolarHBondContact O-CB 3.43Å; I94-S98 PolarHBondContact O-N 2.69Å; I94-S98 VanDerWaalsContact O-N 3.07Å |
| 95 | A | 52.6 | Low | 51.4 | Low | 55 Ų | 55 | 110 Ų | 110 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.8 | -47.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H91 T92 S98 L99 | H91-A95 VanDerWaalsContact O-CB 3.28Å; H91-A95 WeakPolarHBondContact O-CB 3.48Å; H91-A95 PolarHBondContact O-N 3.08Å; T92-A95 PolarHBondContact O-N 2.84Å; A95-S98 PolarHBondContact O-N 3.41Å; A95-S98 PolarHBondContact O-OG 3.41Å; A95-L99 PolarHBondContact O-N 3.49Å |
| 96 | A | 50.8 | Low | 51.9 | Low | 57 Ų | 57 | 109.2 Ų | 109.2 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.2 | -51.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T92 V93 S98 L99 E100 | T92-A96 PolarHBondContact O-N 2.98Å; T92-A96 VanDerWaalsContact O-N 3.07Å; V93-A96 PolarHBondContact O-N 2.78Å; A96-S98 VanDerWaalsContact C-N 3.25Å; A96-S98 PolarHBondContact O-N 2.83Å; A96-L99 PolarHBondContact O-N 2.91Å; A96-E100 PolarHBondContact O-N 2.86Å |
| 97 | Q | 51.4 | Low | 52.6 | Low | 137 Ų | 137 | 112.3 Ų | 112.3 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.9 | -30.6 | -179.9 | -163.6 | 173.5 | 43.1 | 0 | 0 | 112.8 | V93 A101 | V93-Q97 PolarHBondContact O-N 3.41Å; V93-Q97 VanDerWaalsContact O-N 3.17Å; Q97-A101 PolarHBondContact O-N 3.45Å |
| 98 | S | 54.3 | Low | 53.5 | Low | 59 Ų | 59 | 110.6 Ų | 110.6 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.1 | -33.3 | 174.5 | 80.5 | 0 | 0 | 0 | 0 | 113.1 | I94 A95 A96 A101 L102 | I94-S98 WeakPolarHBondContact O-CB 3.43Å; I94-S98 PolarHBondContact O-N 2.69Å; I94-S98 VanDerWaalsContact O-N 3.07Å; A95-S98 PolarHBondContact O-N 3.41Å; A95-S98 PolarHBondContact O-OG 3.41Å; A96-S98 VanDerWaalsContact C-N 3.25Å; A96-S98 PolarHBondContact O-N 2.83Å; S98-A101 PolarHBondContact O-N 2.87Å; S98-L102 VanDerWaalsContact O-CG 3.29Å; S98-L102 WeakPolarHBondContact O-CG 3.11Å; S98-L102 PolarHBondContact O-N 3.23Å |
| 99 | L | 51.2 | Low | 54.6 | Low | 126 Ų | 126 | 105.1 Ų | 105.1 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -76.9 | -37.2 | -175.2 | -163.1 | 143.8 | 0 | 0 | 0 | 111.4 | A95 A96 L102 S103 | A95-L99 PolarHBondContact O-N 3.49Å; A96-L99 PolarHBondContact O-N 2.91Å; L99-L102 PolarHBondContact O-N 3.39Å; L99-S103 PolarHBondContact O-N 3.1Å |
| 100 | E | 55.3 | Low | 56.1 | Low | 143 Ų | 143 | 96.8 Ų | 96.8 | 67% | 0.668 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 169.2 | -64.4 | -178.4 | 149.3 | 0 | 0 | 111.7 | A96 L102 S103 G104 | A96-E100 PolarHBondContact O-N 2.86Å; E100-L102 PolarHBondContact O-N 2.64Å; E100-S103 PolarHBondContact O-N 2.79Å; E100-G104 PolarHBondContact O-N 3.29Å |
| 101 | A | 51.8 | Low | 57.6 | Low | 64 Ų | 64 | 91.8 Ų | 91.8 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q97 S98 G104 L105 | Q97-A101 PolarHBondContact O-N 3.45Å; S98-A101 PolarHBondContact O-N 2.87Å; A101-G104 PolarHBondContact O-N 3.15Å; A101-L105 WeakPolarHBondContact O-CB 3.18Å; A101-L105 PolarHBondContact O-N 3.3Å |
| 102 | L | 49.6 | Very low | 59.3 | Low | 112 Ų | 112 | 92.3 Ų | 92.3 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.2 | -40.2 | 176.2 | -72.7 | 168.4 | 0 | 0 | 0 | 112.4 | S98 L99 E100 Q106 | S98-L102 VanDerWaalsContact O-CG 3.29Å; S98-L102 WeakPolarHBondContact O-CG 3.11Å; S98-L102 PolarHBondContact O-N 3.23Å; L99-L102 PolarHBondContact O-N 3.39Å; E100-L102 PolarHBondContact O-N 2.64Å; L102-Q106 PolarHBondContact O-N 3.28Å; L102-Q106 VanDerWaalsContact O-N 3.16Å |
| 103 | S | 57.4 | Low | 60.8 | Low | 79 Ų | 79 | 94.4 Ų | 94.4 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | L99 E100 L105 Q106 K107 | L99-S103 PolarHBondContact O-N 3.1Å; E100-S103 PolarHBondContact O-N 2.79Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 3.26Å; S103-Q106 PolarHBondContact O-N 2.93Å; S103-K107 PolarHBondContact O-N 3.3Å |
| 104 | G | 56.4 | Low | 62.6 | Low | 40 Ų | 40 | 95.4 Ų | 95.4 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E100 A101 K107 A108 | E100-G104 PolarHBondContact O-N 3.29Å; A101-G104 PolarHBondContact O-N 3.15Å; G104-K107 PolarHBondContact O-N 3.26Å; G104-A108 WeakPolarHBondContact O-CB 3.27Å; G104-A108 PolarHBondContact O-N 3.41Å |
| 105 | L | 55.8 | Low | 64.1 | Low | 92 Ų | 92 | 93.5 Ų | 93.5 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.6 | -175.1 | 61.6 | 0 | 0 | 0 | 112.3 | A101 S103 K107 A108 D109 | A101-L105 WeakPolarHBondContact O-CB 3.18Å; A101-L105 PolarHBondContact O-N 3.3Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 3.26Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.26Å; L105-A108 PolarHBondContact O-N 3.02Å; L105-D109 WeakPolarHBondContact O-CB 3.38Å; L105-D109 PolarHBondContact O-N 3.09Å |
| 106 | Q | 60.2 | Low | 65.8 | Low | 154 Ų | 154 | 93.9 Ų | 93.9 | 72% | 0.72 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 174.9 | -72.5 | -169.9 | 11.1 | 0 | 0 | 112.2 | L102 S103 A110 | L102-Q106 PolarHBondContact O-N 3.28Å; L102-Q106 VanDerWaalsContact O-N 3.16Å; S103-Q106 PolarHBondContact O-N 2.93Å; Q106-A110 WeakPolarHBondContact O-CB 3.34Å; Q106-A110 PolarHBondContact O-N 3.19Å |
| 107 | K | 63.8 | Low | 67.4 | Low | 146 Ų | 146 | 97.4 Ų | 97.4 | 64% | 0.635 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.6 | -48.2 | 174.4 | -172.3 | 177.6 | 178.1 | -177 | 0 | 111.5 | S103 G104 L105 D109 A110 D111 | S103-K107 PolarHBondContact O-N 3.3Å; G104-K107 PolarHBondContact O-N 3.26Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.26Å; K107-D109 VanDerWaalsContact C-N 3.33Å; K107-D109 PolarHBondContact O-N 3.48Å; K107-A110 WeakPolarHBondContact O-CB 3.35Å; K107-A110 PolarHBondContact O-N 3.26Å; K107-A110 VanDerWaalsContact O-N 3.11Å; K107-D111 PolarHBondContact O-N 2.83Å |
| 108 | A | 66.7 | Low | 69.1 | Low | 37 Ų | 37 | 94.3 Ų | 94.3 | 31% | 0.306 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G104 L105 D111 R112 | G104-A108 WeakPolarHBondContact O-CB 3.27Å; G104-A108 PolarHBondContact O-N 3.41Å; L105-A108 PolarHBondContact O-N 3.02Å; A108-D111 PolarHBondContact O-N 2.85Å; A108-R112 WeakPolarHBondContact O-CB 3.42Å; A108-R112 WeakPolarHBondContact O-CD 3.22Å; A108-R112 WeakPolarHBondContact O-CG 3.38Å; A108-R112 PolarHBondContact O-N 3.39Å |
| 109 | D | 69.8 | Low | 70.6 | Confident | 57 Ų | 57 | 95.7 Ų | 95.7 | 31% | 0.305 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75 | -24.9 | 175.7 | -81.6 | -4.8 | 0 | 0 | 0 | 113.5 | L105 K107 R112 K113 | L105-D109 WeakPolarHBondContact O-CB 3.38Å; L105-D109 PolarHBondContact O-N 3.09Å; K107-D109 VanDerWaalsContact C-N 3.33Å; K107-D109 PolarHBondContact O-N 3.48Å; D109-R112 WeakPolarHBondContact OD1-CD 3.28Å; D109-R112 IonicContact OD1-CZ 2.69Å; D109-R112 IonicContact OD1-NH1 2.69Å; D109-R112 PolarHBondContact OD1-NH1 3.08Å; D109-K113 WeakPolarHBondContact O-CB 3.44Å; D109-K113 WeakPolarHBondContact O-CD 3.32Å; D109-K113 WeakPolarHBondContact O-CG 3.27Å; D109-K113 PolarHBondContact O-N 3.38Å |
| 110 | A | 74.4 | Confident | 72.4 | Confident | 56 Ų | 56 | 95 Ų | 95 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.4 | -44.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q106 K107 K113 R114 | Q106-A110 WeakPolarHBondContact O-CB 3.34Å; Q106-A110 PolarHBondContact O-N 3.19Å; K107-A110 WeakPolarHBondContact O-CB 3.35Å; K107-A110 PolarHBondContact O-N 3.26Å; K107-A110 VanDerWaalsContact O-N 3.11Å; A110-K113 PolarHBondContact O-N 3.31Å; A110-R114 WeakPolarHBondContact O-CB 3.46Å; A110-R114 PolarHBondContact O-N 3.14Å |
| 111 | D | 80 | Confident | 74 | Confident | 61 Ų | 61 | 90.7 Ų | 90.7 | 33% | 0.326 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 175.8 | -84.3 | -53.9 | 0 | 0 | 0 | 111.9 | K107 A108 K113 R114 D115 | K107-D111 PolarHBondContact O-N 2.83Å; A108-D111 PolarHBondContact O-N 2.85Å; D111-K113 VanDerWaalsContact C-N 3.27Å; D111-K113 PolarHBondContact O-N 2.89Å; D111-R114 CarbonylContact O-C 3.4Å; D111-R114 WeakPolarHBondContact O-CA 3.41Å; D111-R114 WeakPolarHBondContact O-CB 3.35Å; D111-R114 PolarHBondContact O-N 2.89Å; D111-R114 VanDerWaalsContact O-N 3.07Å; D111-R114 IonicContact OD1-CZ 2.65Å; D111-R114 VanDerWaalsContact OD1-CZ 3.23Å; D111-R114 IonicContact OD1-NE 2.7Å; D111-R114 PolarHBondContact OD1-NE 3.32Å; D111-R114 IonicContact OD1-NH2 3.13Å; D111-R114 PolarHBondContact OD1-NH2 3.47Å; D111-D115 PolarHBondContact O-N 3.29Å |
| 112 | R | 86.1 | Confident | 75.3 | Confident | 153 Ų | 153 | 92.6 Ų | 92.6 | 58% | 0.577 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -55.9 | -39.1 | 171.8 | -73.6 | 163.3 | 177.7 | 165.4 | -3 | 112.9 | A108 D109 A116 | A108-R112 WeakPolarHBondContact O-CB 3.42Å; A108-R112 WeakPolarHBondContact O-CD 3.22Å; A108-R112 WeakPolarHBondContact O-CG 3.38Å; A108-R112 PolarHBondContact O-N 3.39Å; D109-R112 WeakPolarHBondContact OD1-CD 3.28Å; D109-R112 IonicContact OD1-CZ 2.69Å; D109-R112 IonicContact OD1-NH1 2.69Å; D109-R112 PolarHBondContact OD1-NH1 3.08Å; R112-A116 WeakPolarHBondContact O-CB 3.42Å; R112-A116 PolarHBondContact O-N 3.21Å |
| 113 | K | 85.7 | Confident | 76.8 | Confident | 145 Ų | 145 | 91.8 Ų | 91.8 | 63% | 0.63 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.4 | -38.4 | 175.8 | -74 | 162.7 | -166 | 153.2 | 0 | 111.9 | D109 A110 D111 F117 | D109-K113 WeakPolarHBondContact O-CB 3.44Å; D109-K113 WeakPolarHBondContact O-CD 3.32Å; D109-K113 WeakPolarHBondContact O-CG 3.27Å; D109-K113 PolarHBondContact O-N 3.38Å; A110-K113 PolarHBondContact O-N 3.31Å; D111-K113 VanDerWaalsContact C-N 3.27Å; D111-K113 PolarHBondContact O-N 2.89Å; K113-F117 WeakPolarHBondContact O-CB 3.27Å; K113-F117 PolarHBondContact O-N 2.8Å |
| 114 | R | 88 | Confident | 77.9 | Confident | 117 Ų | 117 | 94.1 Ų | 94.1 | 44% | 0.442 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 174 | -176.6 | -171.1 | 53.8 | 50.2 | 15.4 | 110.7 | A110 D111 F117 M118 | A110-R114 WeakPolarHBondContact O-CB 3.46Å; A110-R114 PolarHBondContact O-N 3.14Å; D111-R114 CarbonylContact O-C 3.4Å; D111-R114 WeakPolarHBondContact O-CA 3.41Å; D111-R114 WeakPolarHBondContact O-CB 3.35Å; D111-R114 PolarHBondContact O-N 2.89Å; D111-R114 VanDerWaalsContact O-N 3.07Å; D111-R114 IonicContact OD1-CZ 2.65Å; D111-R114 VanDerWaalsContact OD1-CZ 3.23Å; D111-R114 IonicContact OD1-NE 2.7Å; D111-R114 PolarHBondContact OD1-NE 3.32Å; D111-R114 IonicContact OD1-NH2 3.13Å; D111-R114 PolarHBondContact OD1-NH2 3.47Å; R114-F117 PolarHBondContact O-N 2.87Å; R114-M118 VanDerWaalsContact O-CG 3.27Å; R114-M118 WeakPolarHBondContact O-CG 3.31Å; R114-M118 PolarHBondContact O-N 2.69Å |
| 115 | D | 84.6 | Confident | 79.2 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.6 | -45.6 | 179 | -71 | -46.9 | 0 | 0 | 0 | 112.1 | D111 F117 M118 D119 | D111-D115 PolarHBondContact O-N 3.29Å; D115-F117 VanDerWaalsContact C-N 3.28Å; D115-F117 PolarHBondContact O-N 2.69Å; D115-M118 PolarHBondContact O-N 3.14Å; D115-M118 VanDerWaalsContact O-N 3.12Å; D115-D119 PolarHBondContact O-N 2.99Å |
| 116 | A | 88.3 | Confident | 79.6 | Confident | 62 Ų | 62 | 98.2 Ų | 98.2 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R112 H120 | R112-A116 WeakPolarHBondContact O-CB 3.42Å; R112-A116 PolarHBondContact O-N 3.21Å; A116-H120 WeakPolarHBondContact O-CB 3.3Å; A116-H120 PolarHBondContact O-N 2.98Å |
| 117 | F | 85.5 | Confident | 79.6 | Confident | 132 Ų | 132 | 98.5 Ų | 98.5 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.2 | -42.7 | 172.7 | 176 | -104.7 | 0 | 0 | 0 | 112 | K113 R114 D115 H120 L121 | K113-F117 WeakPolarHBondContact O-CB 3.27Å; K113-F117 PolarHBondContact O-N 2.8Å; R114-F117 PolarHBondContact O-N 2.87Å; D115-F117 VanDerWaalsContact C-N 3.28Å; D115-F117 PolarHBondContact O-N 2.69Å; F117-H120 PolarHBondContact O-N 3.46Å; F117-L121 HydrophobicContact CD1-CD1 4.03Å; F117-L121 HydrophobicContact CE1-CD1 3.46Å; F117-L121 VanDerWaalsContact CE1-CD1 3.46Å; F117-L121 HydrophobicContact CE2-CD1 4.5Å; F117-L121 HydrophobicContact CZ-CD1 3.73Å; F117-L121 HydrophobicContact CZ-CG 4.44Å; F117-L121 PolarHBondContact O-N 3.24Å |
| 118 | M | 87.1 | Confident | 79.3 | Confident | 71 Ų | 71 | 97 Ų | 97 | 35% | 0.35 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 175.8 | -71.8 | -64.6 | -72 | 0 | 0 | 112.1 | R114 D115 L121 K122 | R114-M118 VanDerWaalsContact O-CG 3.27Å; R114-M118 WeakPolarHBondContact O-CG 3.31Å; R114-M118 PolarHBondContact O-N 2.69Å; D115-M118 PolarHBondContact O-N 3.14Å; D115-M118 VanDerWaalsContact O-N 3.12Å; M118-L121 WeakPolarHBondContact O-CB 3.41Å; M118-L121 PolarHBondContact O-N 2.94Å; M118-L121 HydrophobicContact SD-CD1 4.34Å; M118-K122 VanDerWaalsContact O-CG 3.28Å; M118-K122 WeakPolarHBondContact O-CG 3.41Å; M118-K122 PolarHBondContact O-N 2.69Å |
| 119 | D | 85.4 | Confident | 78.8 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.4 | -35 | 175.1 | -76.5 | -5.3 | 0 | 0 | 0 | 112.4 | D115 L121 K122 S123 | D115-D119 PolarHBondContact O-N 2.99Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 2.77Å; D119-K122 PolarHBondContact O-N 2.65Å; D119-K122 WeakPolarHBondContact OD1-CD 3.33Å; D119-K122 WeakPolarHBondContact OD1-CE 3.33Å; D119-K122 IonicContact OD1-NZ 2.72Å; D119-K122 PolarHBondContact OD1-NZ 2.78Å; D119-S123 VanDerWaalsContact O-CB 3.27Å; D119-S123 WeakPolarHBondContact O-CB 3.42Å; D119-S123 PolarHBondContact O-N 3.49Å |
| 120 | H | 89.2 | Confident | 78.2 | Confident | 111 Ų | 111 | 99.9 Ų | 99.9 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 169.8 | -164 | 82.2 | 0 | 0 | 0 | 111.9 | A116 F117 S123 K124 | A116-H120 WeakPolarHBondContact O-CB 3.3Å; A116-H120 PolarHBondContact O-N 2.98Å; F117-H120 PolarHBondContact O-N 3.46Å; H120-S123 PolarHBondContact O-N 3.47Å; H120-K124 WeakPolarHBondContact NE2-CG 3.1Å; H120-K124 WeakPolarHBondContact O-CB 3.41Å; H120-K124 WeakPolarHBondContact O-CG 3.47Å; H120-K124 PolarHBondContact O-N 2.75Å |
| 121 | L | 88.6 | Confident | 77.4 | Confident | 53 Ų | 53 | 100.2 Ų | 100.2 | 28% | 0.277 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 172.1 | -100.4 | 163.1 | 0 | 0 | 0 | 111.8 | F117 M118 D119 S123 K124 Y125 | F117-L121 HydrophobicContact CD1-CD1 4.03Å; F117-L121 HydrophobicContact CE1-CD1 3.46Å; F117-L121 VanDerWaalsContact CE1-CD1 3.46Å; F117-L121 HydrophobicContact CE2-CD1 4.5Å; F117-L121 HydrophobicContact CZ-CD1 3.73Å; F117-L121 HydrophobicContact CZ-CG 4.44Å; F117-L121 PolarHBondContact O-N 3.24Å; M118-L121 WeakPolarHBondContact O-CB 3.41Å; M118-L121 PolarHBondContact O-N 2.94Å; M118-L121 HydrophobicContact SD-CD1 4.34Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 2.77Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 3.5Å; L121-K124 PolarHBondContact O-N 3.13Å; L121-Y125 HydrophobicContact CD2-CD2 4.1Å; L121-Y125 WeakPolarHBondContact O-CA 3.35Å; L121-Y125 WeakPolarHBondContact O-CB 3.26Å; L121-Y125 PolarHBondContact O-N 2.82Å |
| 122 | K | 78.3 | Confident | 76.1 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 45% | 0.452 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 175.9 | -66 | 164.5 | -155.3 | 167 | 0 | 111.9 | M118 D119 A129 | M118-K122 VanDerWaalsContact O-CG 3.28Å; M118-K122 WeakPolarHBondContact O-CG 3.41Å; M118-K122 PolarHBondContact O-N 2.69Å; D119-K122 PolarHBondContact O-N 2.65Å; D119-K122 WeakPolarHBondContact OD1-CD 3.33Å; D119-K122 WeakPolarHBondContact OD1-CE 3.33Å; D119-K122 IonicContact OD1-NZ 2.72Å; D119-K122 PolarHBondContact OD1-NZ 2.78Å; K122-A129 HydrophobicContact CB-CB 4.35Å; K122-A129 HydrophobicContact CG-CB 4Å |
| 123 | S | 80.5 | Confident | 74.8 | Confident | 95 Ų | 95 | 102.3 Ų | 102.3 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.8 | -41.3 | -179.3 | 176.5 | 0 | 0 | 0 | 0 | 113.3 | D119 H120 L121 | D119-S123 VanDerWaalsContact O-CB 3.27Å; D119-S123 WeakPolarHBondContact O-CB 3.42Å; D119-S123 PolarHBondContact O-N 3.49Å; H120-S123 PolarHBondContact O-N 3.47Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 3.5Å |
| 124 | K | 82.4 | Confident | 73.3 | Confident | 129 Ų | 129 | 97 Ų | 97 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -82.4 | -30.1 | -179.8 | -72.4 | -64.1 | -171.7 | -179.2 | 0 | 114 | H120 L121 | H120-K124 WeakPolarHBondContact NE2-CG 3.1Å; H120-K124 WeakPolarHBondContact O-CB 3.41Å; H120-K124 WeakPolarHBondContact O-CG 3.47Å; H120-K124 PolarHBondContact O-N 2.75Å; L121-K124 PolarHBondContact O-N 3.13Å |
| 125 | Y | 81.9 | Confident | 71.5 | Confident | 135 Ų | 135 | 98.1 Ų | 98.1 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | trans | -135.2 | 62.1 | -170.3 | -60.7 | -78 | 0 | 0 | 0 | 111.5 | L121 Q127 H128 A129 | L121-Y125 HydrophobicContact CD2-CD2 4.1Å; L121-Y125 WeakPolarHBondContact O-CA 3.35Å; L121-Y125 WeakPolarHBondContact O-CB 3.26Å; L121-Y125 PolarHBondContact O-N 2.82Å; Y125-Q127 PolarHBondContact O-N 3.25Å; Y125-H128 PolarHBondContact O-N 3.47Å; Y125-A129 PolarHBondContact O-N 2.9Å; Y125-A129 VanDerWaalsContact O-N 3.16Å | ||
| 126 | P | 65.5 | Low | 70 | Confident | 82 Ų | 82 | 101.4 Ų | 101.4 | 53% | 0.532 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.8 | -34.9 | -176.1 | 22.6 | -33.9 | 0 | 0 | 0 | 113 | H128 A129 | P126-H128 VanDerWaalsContact C-N 3.28Å; P126-H128 PolarHBondContact O-N 3.01Å; P126-A129 PolarHBondContact O-N 3.46Å |
| 127 | Q | 59.3 | Low | 68.1 | Low | 160 Ų | 160 | 100.9 Ų | 100.9 | 75% | 0.748 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.4 | -39.9 | 172.7 | -58.8 | -72.6 | 0.2 | 0 | 0 | 112.4 | Y125 | Y125-Q127 PolarHBondContact O-N 3.25Å |
| 128 | H | 58.1 | Low | 66.3 | Low | 115 Ų | 115 | 103.9 Ų | 103.9 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -88.5 | -21.4 | -174.3 | -61.9 | -94 | 0 | 0 | 0 | 113 | Y125 P126 L130 A131 L132 | Y125-H128 PolarHBondContact O-N 3.47Å; P126-H128 VanDerWaalsContact C-N 3.28Å; P126-H128 PolarHBondContact O-N 3.01Å; H128-L130 VanDerWaalsContact C-N 3.3Å; H128-L130 PolarHBondContact O-N 3.5Å; H128-A131 PolarHBondContact O-N 2.87Å; H128-L132 PolarHBondContact O-N 3.4Å; H128-L132 VanDerWaalsContact O-N 3.09Å |
| 129 | A | 56.5 | Low | 64.2 | Low | 29 Ų | 29 | 106.1 Ų | 106.1 | 24% | 0.24 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K122 Y125 P126 R133 | K122-A129 HydrophobicContact CB-CB 4.35Å; K122-A129 HydrophobicContact CG-CB 4Å; Y125-A129 PolarHBondContact O-N 2.9Å; Y125-A129 VanDerWaalsContact O-N 3.16Å; P126-A129 PolarHBondContact O-N 3.46Å; A129-R133 PolarHBondContact O-N 2.94Å; A129-R133 VanDerWaalsContact O-N 3.16Å |
| 130 | L | 57.3 | Low | 62.3 | Low | 125 Ų | 125 | 109.5 Ų | 109.5 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.9 | -37.1 | 175.4 | -65.8 | 175.8 | 0 | 0 | 0 | 112.1 | H128 R133 G134 | H128-L130 VanDerWaalsContact C-N 3.3Å; H128-L130 PolarHBondContact O-N 3.5Å; L130-R133 PolarHBondContact O-N 3Å; L130-G134 PolarHBondContact O-N 2.91Å |
| 131 | A | 56.6 | Low | 60.1 | Low | 63 Ų | 63 | 111.7 Ų | 111.7 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H128 R133 G134 Q135 | H128-A131 PolarHBondContact O-N 2.87Å; A131-R133 PolarHBondContact O-N 2.91Å; A131-G134 PolarHBondContact O-N 3.28Å; A131-Q135 PolarHBondContact O-N 3.14Å |
| 132 | L | 54.1 | Low | 57.8 | Low | 90 Ų | 90 | 116.1 Ų | 116.1 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.1 | -40.7 | 174.9 | -80.6 | 164.2 | 0 | 0 | 0 | 112.4 | H128 Q136 | H128-L132 PolarHBondContact O-N 3.4Å; H128-L132 VanDerWaalsContact O-N 3.09Å; L132-Q136 PolarHBondContact O-N 3.12Å |
| 133 | R | 57.2 | Low | 56.2 | Low | 169 Ų | 169 | 116.4 Ų | 116.4 | 64% | 0.638 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -46.2 | 175.3 | -165.4 | -179.6 | -176.1 | -176.4 | 3.9 | 111.6 | A129 L130 A131 Q135 Q136 D137 | A129-R133 PolarHBondContact O-N 2.94Å; A129-R133 VanDerWaalsContact O-N 3.16Å; L130-R133 PolarHBondContact O-N 3Å; A131-R133 PolarHBondContact O-N 2.91Å; R133-Q135 VanDerWaalsContact C-N 3.27Å; R133-Q135 PolarHBondContact O-N 2.75Å; R133-Q136 CarbonylContact O-C 3.59Å; R133-Q136 WeakPolarHBondContact O-CA 3.45Å; R133-Q136 WeakPolarHBondContact O-CB 3.4Å; R133-Q136 PolarHBondContact O-N 2.92Å; R133-D137 PolarHBondContact O-N 3.01Å |
| 134 | G | 55.6 | Low | 54.3 | Low | 32 Ų | 32 | 114.9 Ų | 114.9 | 33% | 0.33 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.7 | -31.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L130 A131 R138 | L130-G134 PolarHBondContact O-N 2.91Å; A131-G134 PolarHBondContact O-N 3.28Å; G134-R138 WeakPolarHBondContact O-CB 3.36Å; G134-R138 WeakPolarHBondContact O-CG 3.38Å; G134-R138 PolarHBondContact O-N 2.72Å |
| 135 | Q | 50.6 | Low | 52.2 | Low | 141 Ų | 141 | 111.4 Ų | 111.4 | 66% | 0.659 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.2 | -33.3 | 172.3 | -165.8 | 173.5 | -78 | 0 | 0 | 112.3 | A131 R133 M139 | A131-Q135 PolarHBondContact O-N 3.14Å; R133-Q135 VanDerWaalsContact C-N 3.27Å; R133-Q135 PolarHBondContact O-N 2.75Å; Q135-M139 PolarHBondContact O-N 2.95Å |
| 136 | Q | 51.5 | Low | 49.9 | Very low | 144 Ų | 144 | 114.9 Ų | 114.9 | 67% | 0.673 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78.1 | -36.5 | 176.3 | -161.5 | 176.2 | 27.9 | 0 | 0 | 112.5 | L132 R133 M139 R140 | L132-Q136 PolarHBondContact O-N 3.12Å; R133-Q136 CarbonylContact O-C 3.59Å; R133-Q136 WeakPolarHBondContact O-CA 3.45Å; R133-Q136 WeakPolarHBondContact O-CB 3.4Å; R133-Q136 PolarHBondContact O-N 2.92Å; Q136-M139 PolarHBondContact O-N 2.75Å; Q136-R140 PolarHBondContact O-N 3.39Å |
| 137 | D | 48.3 | Very low | 48.9 | Very low | 50 Ų | 50 | 117.6 Ų | 117.6 | 27% | 0.267 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.5 | -43.5 | 171.8 | -80.6 | -60.9 | 0 | 0 | 0 | 111.3 | R133 M139 R140 E141 | R133-D137 PolarHBondContact O-N 3.01Å; D137-M139 VanDerWaalsContact C-N 3.29Å; D137-M139 PolarHBondContact O-N 2.92Å; D137-R140 CarbonylContact O-C 3.58Å; D137-R140 PolarHBondContact O-N 3.24Å; D137-R140 IonicContact OD1-CZ 2.77Å; D137-R140 IonicContact OD1-NH1 3.8Å; D137-R140 PolarHBondContact OD1-NH1 3.01Å; D137-R140 IonicContact OD1-NH2 2.75Å; D137-R140 PolarHBondContact OD1-NH2 2.7Å; D137-E141 PolarHBondContact O-N 2.7Å |
| 138 | R | 47.6 | Very low | 48.1 | Very low | 196 Ų | 196 | 113 Ų | 113 | 74% | 0.74 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.5 | -34 | 173.5 | -78.4 | -179.3 | 173.9 | -175.3 | -1.8 | 113.7 | G134 Q142 | G134-R138 WeakPolarHBondContact O-CB 3.36Å; G134-R138 WeakPolarHBondContact O-CG 3.38Å; G134-R138 PolarHBondContact O-N 2.72Å; R138-Q142 PolarHBondContact O-N 3.23Å |
| 139 | M | 43 | Very low | 47.3 | Very low | 117 Ų | 117 | 112.3 Ų | 112.3 | 58% | 0.576 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67 | -40.8 | 170.2 | -85.4 | -74.1 | -69.1 | 0 | 0 | 112.2 | Q135 Q136 D137 E141 V143 | Q135-M139 PolarHBondContact O-N 2.95Å; Q136-M139 PolarHBondContact O-N 2.75Å; D137-M139 VanDerWaalsContact C-N 3.29Å; D137-M139 PolarHBondContact O-N 2.92Å; M139-E141 VanDerWaalsContact C-N 3.34Å; M139-V143 WeakPolarHBondContact O-CB 3.49Å; M139-V143 VanDerWaalsContact O-CG2 3.3Å; M139-V143 WeakPolarHBondContact O-CG2 3.25Å; M139-V143 PolarHBondContact O-N 2.97Å; M139-V143 VanDerWaalsContact O-N 3.08Å |
| 140 | R | 46.8 | Very low | 46.8 | Very low | 160 Ų | 160 | 115.5 Ų | 115.5 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.7 | -32.2 | 176.9 | -163.6 | 176.7 | 69.5 | -95.3 | -8.1 | 112.2 | Q136 D137 V143 G144 | Q136-R140 PolarHBondContact O-N 3.39Å; D137-R140 CarbonylContact O-C 3.58Å; D137-R140 PolarHBondContact O-N 3.24Å; D137-R140 IonicContact OD1-CZ 2.77Å; D137-R140 IonicContact OD1-NH1 3.8Å; D137-R140 PolarHBondContact OD1-NH1 3.01Å; D137-R140 IonicContact OD1-NH2 2.75Å; D137-R140 PolarHBondContact OD1-NH2 2.7Å; R140-V143 PolarHBondContact O-N 2.7Å; R140-G144 PolarHBondContact O-N 2.85Å |
| 141 | E | 43.2 | Very low | 46.4 | Very low | 157 Ų | 157 | 114.6 Ų | 114.6 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.2 | -39.7 | 177.2 | -154.9 | 171.7 | 158 | 0 | 0 | 111.8 | D137 M139 V143 G144 | D137-E141 PolarHBondContact O-N 2.7Å; M139-E141 VanDerWaalsContact C-N 3.34Å; E141-V143 VanDerWaalsContact C-N 3.29Å; E141-V143 PolarHBondContact O-N 3Å; E141-G144 PolarHBondContact O-N 3.23Å |
| 142 | Q | 40.3 | Very low | 45.9 | Very low | 146 Ų | 146 | 115.4 Ų | 115.4 | 68% | 0.682 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.2 | -34 | 167.9 | -83.8 | -166.3 | -12.7 | 0 | 0 | 113 | R138 G144 W146 | R138-Q142 PolarHBondContact O-N 3.23Å; Q142-G144 VanDerWaalsContact C-N 3.34Å; Q142-W146 VanDerWaalsContact O-CD1 3.24Å |
| 143 | V | 43.4 | Very low | 45.5 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 66% | 0.661 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77 | -19.6 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 112.7 | M139 R140 E141 G145 | M139-V143 WeakPolarHBondContact O-CB 3.49Å; M139-V143 VanDerWaalsContact O-CG2 3.3Å; M139-V143 WeakPolarHBondContact O-CG2 3.25Å; M139-V143 PolarHBondContact O-N 2.97Å; M139-V143 VanDerWaalsContact O-N 3.08Å; R140-V143 PolarHBondContact O-N 2.7Å; E141-V143 VanDerWaalsContact C-N 3.29Å; E141-V143 PolarHBondContact O-N 3Å; V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.08Å |
| 144 | G | 41.3 | Very low | 45 | Very low | 63 Ų | 63 | 114.4 Ų | 114.4 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -12.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R140 E141 Q142 | R140-G144 PolarHBondContact O-N 2.85Å; E141-G144 PolarHBondContact O-N 3.23Å; Q142-G144 VanDerWaalsContact C-N 3.34Å |
| 145 | G | 37.1 | Very low | 44.4 | Very low | 57 Ų | 57 | 117.2 Ų | 117.2 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -2.1 | -173 | 0 | 0 | 0 | 0 | 0 | 116.8 | V143 | V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.08Å |
| 146 | W | 34.8 | Very low | 43.9 | Very low | 207 Ų | 207 | 114.9 Ų | 114.9 | 78% | 0.784 | 62% | 0.622 | S | S | * | * | trans | -119.4 | 40.6 | -167.6 | -64.8 | 88.6 | 0 | 0 | 0 | 115.1 | Q142 V148 | Q142-W146 VanDerWaalsContact O-CD1 3.24Å; W146-V148 HydrophobicContact CE3-CG2 3.76Å; W146-V148 HydrophobicContact CZ3-CG2 4.3Å; W146-V148 PolarHBondContact O-N 3.28Å; W146-V148 VanDerWaalsContact O-N 3.08Å | ||
| 147 | T | 44.3 | Very low | 43.4 | Very low | 140 Ų | 140 | 114.8 Ų | 114.8 | 86% | 0.859 | 63% | 0.626 | S | S | * | * | trans | -79.6 | 64 | 153.7 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | D149 | T147-D149 PolarHBondContact O-N 3.19Š| ||
| 148 | V | 43 | Very low | 43.1 | Very low | 64 Ų | 64 | 117.6 Ų | 117.6 | 39% | 0.388 | 65% | 0.648 | S | S | . | * | trans | -78.1 | 104.9 | 171.9 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | W146 C152 L153 | W146-V148 HydrophobicContact CE3-CG2 3.76Å; W146-V148 HydrophobicContact CZ3-CG2 4.3Å; W146-V148 PolarHBondContact O-N 3.28Å; W146-V148 VanDerWaalsContact O-N 3.08Å; V148-C152 HydrophobicContact CG1-CB 4.33Å; V148-L153 HydrophobicContact CG1-CD1 4.29Å; V148-L153 HydrophobicContact CG1-CD2 4.35Å; V148-L153 HydrophobicContact CG1-CG 3.93Å | ||
| 149 | D | 40 | Very low | 42.7 | Very low | 100 Ų | 100 | 113 Ų | 113 | 54% | 0.535 | 65% | 0.646 | S | S | . | * | trans | -56.7 | 128.5 | 173.7 | -156.9 | -45.8 | 0 | 0 | 0 | 109.7 | T147 V151 C152 | T147-D149 PolarHBondContact O-N 3.19Å; D149-V151 PolarHBondContact O-N 3.27Å; D149-C152 WeakPolarHBondContact O-CB 3.36Å; D149-C152 PolarHBondContact O-N 2.86Å | ||
| 150 | P | 46.2 | Very low | 42.5 | Very low | 96 Ų | 96 | 115.5 Ų | 115.5 | 62% | 0.623 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -56.6 | -21.1 | -173.4 | 18.5 | -32.8 | 0 | 0 | 0 | 114.7 | C152 L153 | P150-C152 VanDerWaalsContact C-N 3.29Å; P150-C152 PolarHBondContact O-N 3.36Å; P150-L153 PolarHBondContact O-N 3.28Å |
| 151 | V | 49.8 | Very low | 42.3 | Very low | 105 Ų | 105 | 115.6 Ų | 115.6 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -60.8 | -35.9 | 173.7 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | D149 | D149-V151 PolarHBondContact O-N 3.27Å |
| 152 | C | 46.7 | Very low | 41.8 | Very low | 81 Ų | 81 | 117.3 Ų | 117.3 | 55% | 0.547 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -71.1 | -32.8 | -176.4 | -69.6 | 0 | 0 | 0 | 0 | 113.2 | V148 D149 P150 S155 S156 | V148-C152 HydrophobicContact CG1-CB 4.33Å; D149-C152 WeakPolarHBondContact O-CB 3.36Å; D149-C152 PolarHBondContact O-N 2.86Å; P150-C152 VanDerWaalsContact C-N 3.29Å; P150-C152 PolarHBondContact O-N 3.36Å; C152-S155 PolarHBondContact O-N 2.95Å; C152-S156 PolarHBondContact O-N 2.87Å |
| 153 | L | 45.3 | Very low | 41.3 | Very low | 106 Ų | 106 | 114.1 Ų | 114.1 | 56% | 0.555 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -69.9 | -35.6 | 178.9 | -72.5 | 170 | 0 | 0 | 0 | 112.2 | V148 P150 S155 S156 L157 | V148-L153 HydrophobicContact CG1-CD1 4.29Å; V148-L153 HydrophobicContact CG1-CD2 4.35Å; V148-L153 HydrophobicContact CG1-CG 3.93Å; P150-L153 PolarHBondContact O-N 3.28Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 3.08Å; L153-S156 PolarHBondContact O-N 2.99Å; L153-L157 PolarHBondContact O-N 3.37Å |
| 154 | L | 46.9 | Very low | 40.7 | Very low | 132 Ų | 132 | 116.1 Ų | 116.1 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.6 | -38.2 | 176.8 | -75.9 | 163.6 | 0 | 0 | 0 | 112.4 | ||
| 155 | S | 43 | Very low | 40.2 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68 | -34.6 | 178.6 | -158.4 | 0 | 0 | 0 | 0 | 112.5 | C152 L153 | C152-S155 PolarHBondContact O-N 2.95Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 3.08Å |
| 156 | S | 39.7 | Very low | 40 | Very low | 91 Ų | 91 | 120.1 Ų | 120.1 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -73.4 | -30.3 | -179.6 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | C152 L153 C158 S159 | C152-S156 PolarHBondContact O-N 2.87Å; L153-S156 PolarHBondContact O-N 2.99Å; S156-C158 VanDerWaalsContact C-N 3.31Å; S156-C158 PolarHBondContact O-N 2.99Å; S156-S159 PolarHBondContact O-N 3.3Å |
| 157 | L | 41 | Very low | 40.9 | Very low | 142 Ų | 142 | 115.8 Ų | 115.8 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -71 | -20.3 | 179.2 | -96.7 | 152.3 | 0 | 0 | 0 | 114.4 | L153 S159 | L153-L157 PolarHBondContact O-N 3.37Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 3.33Å |
| 158 | C | 42.1 | Very low | 40.2 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -73.6 | -21.1 | 179.1 | -151.8 | 0 | 0 | 0 | 0 | 112.9 | S156 | S156-C158 VanDerWaalsContact C-N 3.31Å; S156-C158 PolarHBondContact O-N 2.99Å |
| 159 | S | 39.3 | Very low | 39.5 | Very low | 98 Ų | 98 | 116.1 Ų | 116.1 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -98 | 17.6 | -168.1 | -55.5 | 0 | 0 | 0 | 0 | 115 | S156 L157 | S156-S159 PolarHBondContact O-N 3.3Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 3.33Å |
| 160 | H | 38.3 | Very low | 39.1 | Very low | 171 Ų | 171 | 116.6 Ų | 116.6 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -126.7 | 28.3 | 177.8 | -147.1 | 70.3 | 0 | 0 | 0 | 114.7 | ||
| 161 | L | 43 | Very low | 38.2 | Very low | 161 Ų | 161 | 115.8 Ų | 115.8 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -133.3 | 57.3 | 162.7 | -76.3 | 179.5 | 0 | 0 | 0 | 111 | ||
| 162 | H | 33.1 | Very low | 37.2 | Very low | 193 Ų | 193 | 119.7 Ų | 119.7 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | trans | -166.4 | 130.1 | 144.3 | -106.9 | 78.8 | 0 | 0 | 0 | 109.3 | ||||
| 163 | G | 29.9 | Very low | 37.6 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | -145.2 | 101.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 164 | D | 30.3 | Very low | 36.7 | Very low | 152 Ų | 152 | 120.8 Ų | 120.8 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -165.2 | 163.1 | 132.5 | -150.5 | -11.5 | 0 | 0 | 0 | 110.6 | ||||
| 165 | S | 30.8 | Very low | 35.8 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 69.7 | 147.5 | 165.9 | -64.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 166 | A | 32.3 | Very low | 34.9 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -144.3 | -171 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 167 | P | 53.8 | Low | 34.3 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | cis | -130.2 | 171.7 | -13.6 | 41.1 | -27.3 | 0 | 0 | 0 | 113.6 | ||||
| 168 | S | 30.3 | Very low | 33.8 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | 157.9 | 157.1 | 141.9 | -77.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 169 | G | 28.2 | Very low | 33.2 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | 127.8 | 118 | 160 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 170 | A | 30.4 | Very low | 33 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -87.4 | 160.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 171 | G | 27.7 | Very low | 32.6 | Very low | 79 Ų | 79 | 136 Ų | 136 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 155.9 | 119.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 172 | Q | 29.2 | Very low | 32 | Very low | 187 Ų | 187 | 133 Ų | 133 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -130.6 | 177.8 | 158.7 | -76.8 | -164.9 | 8.5 | 0 | 0 | 107.6 | ||||
| 173 | P | 54 | Low | 32.1 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | -134.8 | 170.6 | -52.7 | 38.7 | -23.7 | 0 | 0 | 0 | 113.6 | |||||
| 174 | A | 26.8 | Very low | 32.1 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -155.5 | 123.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 175 | Q | 27.8 | Very low | 32 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | 70.7 | 142.1 | 79.6 | -70.1 | -150.3 | 39.7 | 0 | 0 | 115.2 | |||||
| 176 | T | 25.6 | Very low | 32.1 | Very low | 95 Ų | 95 | 134 Ų | 134 | 58% | 0.583 | 81% | 0.811 | S | S | * | * | cis | -170.8 | 144.9 | -6.7 | -94.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 177 | R | 27.3 | Very low | 32.9 | Very low | 237 Ų | 237 | 135.3 Ų | 135.3 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | trans | 57 | 119 | 157.8 | -77.6 | 167.6 | -178.5 | 167.4 | -1 | 124.8 | ||||
| 178 | S | 30.5 | Very low | 31.7 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -19.7 | 152 | 133.7 | -179.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 179 | S | 28.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -158.6 | 169.6 | 134.6 | -161.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 180 | R | 36.1 | Very low | 31.9 | Very low | 229 Ų | 229 | 136.2 Ų | 136.2 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -119.7 | 155.5 | 174.5 | -85.3 | -173.3 | 171.6 | -152.7 | 0.5 | 111.3 | ||||
| 181 | H | 28.7 | Very low | 32.2 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -151.4 | 168.1 | 150.5 | -148.9 | -95.1 | 0 | 0 | 0 | 113.1 | ||||
| 182 | T | 30.7 | Very low | 32.6 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 60% | 0.601 | 81% | 0.807 | S | S | * | * | trans | -143.6 | 176.3 | -178.5 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 183 | Q | 36.1 | Very low | 32.6 | Very low | 193 Ų | 193 | 139.1 Ų | 139.1 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | 72.2 | 146.1 | 178.7 | -48.3 | 179.7 | 5.4 | 0 | 0 | 115 | ||||
| 184 | G | 28.1 | Very low | 31.6 | Very low | 72 Ų | 72 | 137.2 Ų | 137.2 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | cis | 179.2 | -165 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 185 | A | 28.6 | Very low | 32 | Very low | 107 Ų | 107 | 142 Ų | 142 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | 84.2 | 151.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 186 | Q | 32.7 | Very low | 32.6 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -159 | 179.1 | -176.5 | -83.1 | -79.8 | -28.5 | 0 | 0 | 105.3 | ||||
| 187 | P | 49.3 | Very low | 32.9 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | cis | -129.9 | -164.2 | -6 | 43 | -27 | 0 | 0 | 0 | 112.7 | ||||
| 188 | G | 28.5 | Very low | 33.1 | Very low | 66 Ų | 66 | 140.6 Ų | 140.6 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 149.9 | 119.9 | 138.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 189 | L | 31.4 | Very low | 33.1 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 98% | 0.984 | 80% | 0.801 | S | S | * | * | trans | 67.3 | 163.5 | 152.9 | -76.5 | 165.9 | 0 | 0 | 0 | 120.7 | ||||
| 190 | A | 31.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -150.8 | 164.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 191 | D | 37.2 | Very low | 33.4 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -142.4 | 174.6 | 165.4 | -154.2 | -88.8 | 0 | 0 | 0 | 110.7 | ||||
| 192 | Q | 36.3 | Very low | 33.9 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -130.6 | 142.8 | -160.2 | -95.4 | -165.8 | 92 | 0 | 0 | 116.1 | ||||
| 193 | A | 30 | Very low | 34.1 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 68.1 | 168.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 194 | A | 31.8 | Very low | 34.2 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | cis | -156.4 | 165.3 | 10.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 195 | K | 35.4 | Very low | 35.1 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 91 | 139.1 | 154.5 | -50.4 | 174.1 | -172.9 | 174.5 | 0 | 120.2 | ||||
| 196 | L | 39.9 | Very low | 35.6 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | 72.5 | 155 | 160.9 | -46.8 | -170.3 | 0 | 0 | 0 | 118.8 | ||||
| 197 | S | 31.4 | Very low | 35.6 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | -173.7 | 140.8 | -52.3 | -106.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 198 | Y | 33.1 | Very low | 35.2 | Very low | 229 Ų | 229 | 138.5 Ų | 138.5 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | 44.5 | 127.6 | 157.9 | -72.7 | -85 | 0 | 0 | 0 | 123 | ||||
| 199 | A | 30.9 | Very low | 35.4 | Very low | 91 Ų | 91 | 144.6 Ų | 144.6 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -46.8 | 156.6 | 168 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 200 | S | 32.6 | Very low | 35.9 | Very low | 127 Ų | 127 | 140 Ų | 140 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -156.9 | 136.1 | 140.4 | -78.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 201 | A | 36.2 | Very low | 36.2 | Very low | 104 Ų | 104 | 144 Ų | 144 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -155.3 | 52.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 202 | E | 41.2 | Very low | 36.5 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -129.9 | 101.1 | -178.5 | -64 | -178 | 154 | 0 | 0 | 109.7 | ||||
| 203 | S | 33.7 | Very low | 37 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -164.4 | 98.9 | 160.6 | -153.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 204 | L | 38.8 | Very low | 37.6 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | 85.2 | 114.9 | 83 | -133.8 | 172.2 | 0 | 0 | 0 | 113.5 | |||||
| 205 | E | 47.6 | Very low | 38 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -62.3 | 146.2 | 173.6 | -72.4 | 88.6 | 153 | 0 | 0 | 114.3 | ||||
| 206 | T | 37.9 | Very low | 38 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | trans | -160.8 | 175.1 | 139.1 | 1.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 207 | M | 31.9 | Very low | 37.8 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | -102.8 | 167.9 | -159.5 | -54.8 | -170.7 | -60.7 | 0 | 0 | 115.3 | ||||
| 208 | S | 41 | Very low | 38.9 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | trans | 64.9 | 161.3 | 166.6 | 56.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 209 | E | 33.4 | Very low | 39.4 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | cis | -135.3 | -178.1 | 2.1 | -149.7 | 170 | 140 | 0 | 0 | 110.3 | ||||
| 210 | A | 41.8 | Very low | 39.9 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -119.1 | 139.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 211 | E | 38.2 | Very low | 41 | Very low | 177 Ų | 177 | 153.2 Ų | 153.2 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | trans | -151.6 | 157.7 | 150.2 | -129.8 | -160.9 | 137.1 | 0 | 0 | 114.7 | ||||
| 212 | L | 42.3 | Very low | 41.7 | Very low | 146 Ų | 146 | 157.1 Ų | 157.1 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | 69.8 | 119.8 | 168.7 | -62.5 | 174 | 0 | 0 | 0 | 119.3 | ||||
| 213 | P | 47.3 | Very low | 42.3 | Very low | 121 Ų | 121 | 158 Ų | 158 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -106.8 | 140 | -174.1 | 38.5 | -31.9 | 0 | 0 | 0 | 114.6 | ||||
| 214 | L | 43.9 | Very low | 43.2 | Very low | 184 Ų | 184 | 159.9 Ų | 159.9 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | -114.7 | 113.9 | 171.8 | -81.6 | 168.4 | 0 | 0 | 0 | 112.8 | ||||
| 215 | G | 38.5 | Very low | 43.8 | Very low | 74 Ų | 74 | 158.1 Ų | 158.1 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | 94.4 | 62.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | S217 | G215-S217 PolarHBondContact O-N 3.04Š| ||
| 216 | F | 36.6 | Very low | 44.4 | Very low | 209 Ų | 209 | 156.6 Ų | 156.6 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -66.4 | 91.7 | 157 | -95.3 | -82.7 | 0 | 0 | 0 | 111 | R218 | F216-R218 PolarHBondContact O-N 3.28Š| ||
| 217 | S | 36 | Very low | 45.2 | Very low | 112 Ų | 112 | 155.1 Ų | 155.1 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -75.9 | 84.6 | 174.6 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | G215 M219 | G215-S217 PolarHBondContact O-N 3.04Å; S217-M219 VanDerWaalsContact C-N 3.31Å; S217-M219 PolarHBondContact O-N 3.22Å | ||
| 218 | R | 54 | Low | 46.1 | Very low | 232 Ų | 232 | 155.4 Ų | 155.4 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -75.6 | 73.7 | 169.7 | -78.9 | -173.9 | 168.2 | -171 | 0.5 | 111.3 | F216 | F216-R218 PolarHBondContact O-N 3.28Š| ||
| 219 | M | 42.9 | Very low | 46.4 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -150.4 | 66.4 | 176.7 | -157.5 | 69.6 | 77.6 | 0 | 0 | 116.3 | S217 | S217-M219 VanDerWaalsContact C-N 3.31Å; S217-M219 PolarHBondContact O-N 3.22Å | ||
| 220 | N | 41.3 | Very low | 47.2 | Very low | 111 Ų | 111 | 157.3 Ų | 157.3 | 59% | 0.594 | 81% | 0.806 | S | S | * | * | trans | -159.2 | 59.6 | 142.4 | -148.5 | -32.8 | 0 | 0 | 0 | 115.2 | F222 R223 | N220-F222 PolarHBondContact O-N 2.96Å; N220-F222 PolarHBondContact OD1-N 3.03Å; N220-R223 PolarHBondContact OD1-N 3.17Å | ||
| 221 | R | 56.9 | Low | 47.3 | Very low | 250 Ų | 250 | 156.6 Ų | 156.6 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 47.9 | 162.4 | -80.6 | -169 | 178.1 | 173.6 | -1.7 | 111.8 | ||
| 222 | F | 51.4 | Low | 47.8 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167 | 41.7 | 159.5 | -106.4 | -60.3 | 0 | 0 | 0 | 115.1 | N220 | N220-F222 PolarHBondContact O-N 2.96Å; N220-F222 PolarHBondContact OD1-N 3.03Å |
| 223 | R | 53.5 | Low | 47.9 | Very low | 214 Ų | 214 | 148.9 Ų | 148.9 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -112.2 | 111.8 | 149.7 | -76.7 | -163.1 | 167.8 | -121.6 | -6.4 | 109.5 | N220 S225 | N220-R223 PolarHBondContact OD1-N 3.17Å; R223-S225 PolarHBondContact O-N 3.07Å |
| 224 | Q | 52.5 | Low | 48 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -58.1 | 105.1 | 173.5 | -66.8 | 169.8 | -11.2 | 0 | 0 | 108.1 | L226 | Q224-L226 PolarHBondContact O-N 2.96Š| ||
| 225 | S | 50 | Low | 48.3 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -65.6 | 83.7 | 151.5 | 56.4 | 0 | 0 | 0 | 0 | 106.3 | R223 | R223-S225 PolarHBondContact O-N 3.07Š| ||
| 226 | L | 60.5 | Low | 48.9 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | -46.1 | 128 | 163.6 | -67 | 174.4 | 0 | 0 | 0 | 106.1 | Q224 L228 | Q224-L226 PolarHBondContact O-N 2.96Å; L226-L228 PolarHBondContact O-N 2.97Å | ||
| 227 | P | 54.7 | Low | 49.6 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | trans | -54 | 122.6 | -177.4 | 22.7 | -32.9 | 0 | 0 | 0 | 107 | S229 | P227-S229 VanDerWaalsContact C-N 3.3Å; P227-S229 WeakPolarHBondContact O-CA 3.35Å; P227-S229 PolarHBondContact O-N 2.85Å | ||
| 228 | L | 51.5 | Low | 50.7 | Low | 174 Ų | 174 | 151.8 Ų | 151.8 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -52.9 | 97.6 | -174.9 | -100.3 | 163.4 | 0 | 0 | 0 | 108 | L226 R230 | L226-L228 PolarHBondContact O-N 2.97Å; L228-R230 PolarHBondContact O-N 3.03Å | ||
| 229 | S | 46.5 | Very low | 51.2 | Low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | -61.8 | 115.6 | -161.9 | -174.6 | 0 | 0 | 0 | 0 | 107.1 | P227 S231 | P227-S229 VanDerWaalsContact C-N 3.3Å; P227-S229 WeakPolarHBondContact O-CA 3.35Å; P227-S229 PolarHBondContact O-N 2.85Å; S229-S231 VanDerWaalsContact C-N 3.31Å; S229-S231 PolarHBondContact O-N 3.03Å | ||
| 230 | R | 51.7 | Low | 52.8 | Low | 233 Ų | 233 | 140.7 Ų | 140.7 | 88% | 0.879 | 72% | 0.718 | S | S | * | * | trans | -54.7 | 93.8 | -162 | -88.8 | -179.7 | 159.8 | -172.7 | -4.8 | 109.8 | L228 A232 | L228-R230 PolarHBondContact O-N 3.03Å; R230-A232 PolarHBondContact O-N 3.43Å | ||
| 231 | S | 43 | Very low | 55 | Low | 76 Ų | 76 | 136.4 Ų | 136.4 | 53% | 0.531 | 70% | 0.701 | S | S | . | * | trans | -67 | 124.9 | -176.5 | -171.1 | 0 | 0 | 0 | 0 | 107.8 | S229 S233 Q234 | S229-S231 VanDerWaalsContact C-N 3.31Å; S229-S231 PolarHBondContact O-N 3.03Å; S231-S233 WeakPolarHBondContact CB-OG 3.33Å; S231-S233 PolarHBondContact O-N 3.3Å; S231-S233 PolarHBondContact OG-OG 3.25Å; S231-Q234 PolarHBondContact O-N 2.92Å | ||
| 232 | A | 49.2 | Very low | 56.7 | Low | 87 Ų | 87 | 125.6 Ų | 125.6 | 72% | 0.719 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -58.2 | -8.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R230 Q234 T235 | R230-A232 PolarHBondContact O-N 3.43Å; A232-Q234 VanDerWaalsContact C-N 3.35Å; A232-T235 PolarHBondContact O-OG1 3.21Å |
| 233 | S | 44.5 | Very low | 58.8 | Low | 74 Ų | 74 | 117 Ų | 117 | 52% | 0.517 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -69.9 | -17.2 | 171.1 | 65.5 | 0 | 0 | 0 | 0 | 115.3 | S231 T235 K236 | S231-S233 WeakPolarHBondContact CB-OG 3.33Å; S231-S233 PolarHBondContact O-N 3.3Å; S231-S233 PolarHBondContact OG-OG 3.25Å; S233-T235 PolarHBondContact O-N 3.49Å; S233-T235 VanDerWaalsContact O-N 3.08Å; S233-K236 PolarHBondContact O-N 3.26Å |
| 234 | Q | 48.8 | Very low | 60.9 | Low | 147 Ų | 147 | 110.1 Ų | 110.1 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -62.8 | -19.1 | -179.9 | -158.1 | -174.3 | 11.4 | 0 | 0 | 112.7 | S231 A232 K236 L237 | S231-Q234 PolarHBondContact O-N 2.92Å; A232-Q234 VanDerWaalsContact C-N 3.35Å; Q234-K236 PolarHBondContact O-N 3.43Å; Q234-L237 PolarHBondContact O-N 2.99Å |
| 235 | T | 50.9 | Low | 63.1 | Low | 75 Ų | 75 | 102.9 Ų | 102.9 | 46% | 0.46 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -53.5 | -30.3 | 169.9 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | A232 S233 L237 R238 | A232-T235 PolarHBondContact O-OG1 3.21Å; S233-T235 PolarHBondContact O-N 3.49Å; S233-T235 VanDerWaalsContact O-N 3.08Å; T235-L237 VanDerWaalsContact C-N 3.27Å; T235-L237 PolarHBondContact O-N 3.38Å; T235-R238 PolarHBondContact O-N 3.11Å |
| 236 | K | 51.1 | Low | 65.3 | Low | 188 Ų | 188 | 100 Ų | 100 | 82% | 0.817 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -71.4 | -10.7 | -178.1 | -89.4 | -178.6 | 172.7 | 176.7 | 0 | 115.9 | S233 Q234 | S233-K236 PolarHBondContact O-N 3.26Å; Q234-K236 PolarHBondContact O-N 3.43Å |
| 237 | L | 50.1 | Low | 67 | Low | 163 Ų | 163 | 95.7 Ų | 95.7 | 85% | 0.853 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -109 | -3.7 | 177.2 | -63.9 | 178.3 | 0 | 0 | 0 | 113.3 | Q234 T235 | Q234-L237 PolarHBondContact O-N 2.99Å; T235-L237 VanDerWaalsContact C-N 3.27Å; T235-L237 PolarHBondContact O-N 3.38Å |
| 238 | R | 60.5 | Low | 68.8 | Low | 188 Ų | 188 | 92.8 Ų | 92.8 | 71% | 0.709 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -81.9 | 134.8 | 169 | -162.5 | 171.8 | -176 | 91.4 | -2.9 | 108.1 | T235 | T235-R238 PolarHBondContact O-N 3.11Š|
| 239 | S | 64.8 | Low | 70.9 | Confident | 93 Ų | 93 | 93.8 Ų | 93.8 | 65% | 0.65 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -57 | 135 | 170.6 | 48.9 | 0 | 0 | 0 | 0 | 109.6 | G241 | S239-G241 PolarHBondContact O-N 3.42Š|
| 240 | P | 76.1 | Confident | 73.2 | Confident | 70 Ų | 70 | 90.8 Ų | 90.8 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 127 | 179.4 | 24.8 | -33.7 | 0 | 0 | 0 | 109.5 | I256 T257 | P240-I256 CarbonylContact C-O 3.55Å; P240-I256 VanDerWaalsContact CA-O 3.29Å; P240-I256 WeakPolarHBondContact CA-O 3.39Å; P240-I256 WeakPolarHBondContact CB-O 3.45Å; P240-T257 HydrophobicContact CB-CG2 4.27Å |
| 241 | G | 87.2 | Confident | 75.4 | Confident | 22 Ų | 22 | 83.6 Ų | 83.6 | 23% | 0.227 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 156.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S239 H255 I256 D311 | S239-G241 PolarHBondContact O-N 3.42Å; G241-H255 CarbonylContact O-C 3.55Å; G241-H255 WeakPolarHBondContact O-CA 3.28Å; G241-I256 PolarHBondContact N-O 3.06Å; G241-I256 PolarHBondContact O-N 3.15Å; G241-D311 WeakPolarHBondContact CA-OD1 3.39Å |
| 242 | V | 93.1 | Very high | 78 | Confident | 23 Ų | 23 | 83.6 Ų | 83.6 | 14% | 0.139 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.5 | -178 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | F244 R253 V254 D311 R312 | V242-F244 HydrophobicContact CG1-CE2 4.01Å; V242-F244 HydrophobicContact CG1-CZ 4.03Å; V242-R253 VanDerWaalsContact CG1-CD 3.47Å; V242-R253 HydrophobicContact CG1-CG 3.39Å; V242-V254 VanDerWaalsContact CA-O 3.3Å; V242-V254 WeakPolarHBondContact CA-O 3.49Å; V242-D311 PolarHBondContact N-OD1 3.48Å; V242-R312 WeakPolarHBondContact O-CA 3.43Å; V242-R312 PolarHBondContact O-N 3.16Å |
| 243 | L | 95.5 | Very high | 80.2 | Confident | 4 Ų | 4 | 86.3 Ų | 86.3 | 2% | 0.021 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.7 | 170.2 | -63.5 | -168.1 | 0 | 0 | 0 | 111.3 | L245 R253 V254 I256 I309 Q310 I315 | L243-L245 HydrophobicContact CB-CD2 4.35Å; L243-R253 WeakPolarHBondContact O-CA 3.29Å; L243-V254 HydrophobicContact CB-CB 4.49Å; L243-V254 HydrophobicContact CB-CG1 4.1Å; L243-V254 PolarHBondContact N-O 3.19Å; L243-V254 PolarHBondContact O-N 3.27Å; L243-I256 HydrophobicContact CD1-CD1 3.41Å; L243-I256 VanDerWaalsContact CD1-CD1 3.41Å; L243-I256 HydrophobicContact CG-CD1 3.65Å; L243-I256 HydrophobicContact CG-CG1 4.28Å; L243-I309 HydrophobicContact CD1-CG2 3.79Å; L243-I309 HydrophobicContact CD2-CG2 3.77Å; L243-I309 HydrophobicContact CG-CG2 4.41Å; L243-Q310 WeakPolarHBondContact CD2-O 3.47Å; L243-I315 HydrophobicContact CD1-CD1 4.1Å |
| 244 | F | 97.2 | Very high | 82.6 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 31% | 0.311 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 108.9 | 170.9 | -61.4 | -88.5 | 0 | 0 | 0 | 108.6 | V242 R253 R312 S313 I314 I315 | V242-F244 HydrophobicContact CG1-CE2 4.01Å; V242-F244 HydrophobicContact CG1-CZ 4.03Å; F244-R253 HydrophobicContact CD1-CB 4.28Å; F244-R253 HydrophobicContact CD1-CG 3.97Å; F244-R253 HydrophobicContact CE1-CB 4.29Å; F244-R253 HydrophobicContact CE1-CG 3.69Å; F244-R253 HydrophobicContact CZ-CG 4.21Å; F244-R312 HydrophobicContact CE2-CB 4.13Å; F244-R312 HydrophobicContact CE2-CG 4.3Å; F244-S313 PolarHBondContact N-O 3.16Å; F244-S313 VanDerWaalsContact N-O 3.14Å; F244-I314 HydrophobicContact CB-CG1 4.28Å; F244-I314 HydrophobicContact CD2-CG1 4.48Å; F244-I315 PolarHBondContact O-N 3.34Å |
| 245 | L | 97.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.6 | 178.6 | -49.4 | 176.6 | 0 | 0 | 0 | 109.1 | L243 T251 R252 V254 L269 I270 M273 F274 I315 I317 | L243-L245 HydrophobicContact CB-CD2 4.35Å; L245-T251 CarbonylContact O-C 3.55Å; L245-T251 WeakPolarHBondContact O-CA 3.39Å; L245-R252 PolarHBondContact N-O 3.14Å; L245-R252 PolarHBondContact O-N 3.01Å; L245-V254 HydrophobicContact CD1-CG2 4.43Å; L245-L269 HydrophobicContact CD1-CD2 3.75Å; L245-L269 HydrophobicContact CD2-CD2 4.41Å; L245-I270 HydrophobicContact CD1-CG1 4.19Å; L245-I270 HydrophobicContact CD2-CG1 4.43Å; L245-M273 HydrophobicContact CD1-CB 4.06Å; L245-M273 HydrophobicContact CD1-CG 3.91Å; L245-F274 HydrophobicContact CB-CE2 3.74Å; L245-F274 HydrophobicContact CB-CZ 4.09Å; L245-F274 HydrophobicContact CD1-CE2 4.24Å; L245-I315 CarbonylContact C-O 3.47Å; L245-I315 WeakPolarHBondContact CA-O 3.28Å; L245-I315 HydrophobicContact CD2-CB 4.12Å; L245-I315 HydrophobicContact CD2-CD1 4.34Å; L245-I317 HydrophobicContact CB-CD1 4.28Å |
| 246 | Q | 97.6 | Very high | 86.4 | Confident | 53 Ų | 53 | 77.4 Ų | 77.4 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.7 | 176.6 | 180 | 177.8 | 9.4 | 0 | 0 | 110.7 | G248 E250 I315 K316 I317 | Q246-G248 VanDerWaalsContact CG-O 3.27Å; Q246-G248 WeakPolarHBondContact CG-O 3.3Å; Q246-G248 PolarHBondContact NE2-O 3.28Å; Q246-E250 WeakPolarHBondContact CA-O 3.41Å; Q246-I315 PolarHBondContact N-O 3.18Å; Q246-K316 HydrophobicContact CB-CG 4.08Å; Q246-K316 HydrophobicContact CG-CG 4.39Å; Q246-K316 WeakPolarHBondContact O-CA 3.45Å; Q246-I317 WeakPolarHBondContact O-CD1 3.35Å; Q246-I317 PolarHBondContact O-N 2.96Å |
| 247 | F | 96.6 | Very high | 87.7 | Confident | 41 Ų | 41 | 73.2 Ų | 73.2 | 18% | 0.18 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 107.1 | 169.5 | 178.8 | -107.1 | 0 | 0 | 0 | 109.7 | E249 E250 F274 K277 L278 I317 R319 | F247-E249 PolarHBondContact O-N 3.05Å; F247-E250 PolarHBondContact N-O 3.4Å; F247-E250 PolarHBondContact O-N 3.23Å; F247-E250 VanDerWaalsContact O-N 3.1Å; F247-F274 HydrophobicContact CB-CD1 4.28Å; F247-F274 HydrophobicContact CB-CE1 4.07Å; F247-F274 HydrophobicContact CB-CE2 4.46Å; F247-F274 HydrophobicContact CB-CZ 4.16Å; F247-K277 HydrophobicContact CD1-CB 4.06Å; F247-K277 HydrophobicContact CD1-CD 3.88Å; F247-K277 HydrophobicContact CE1-CB 3.89Å; F247-K277 HydrophobicContact CE1-CD 4.04Å; F247-K277 HydrophobicContact CE1-CG 4.45Å; F247-L278 HydrophobicContact CB-CD1 4.27Å; F247-L278 HydrophobicContact CD1-CG 4.42Å; F247-L278 HydrophobicContact CD2-CD1 3.96Å; F247-L278 HydrophobicContact CD2-CD2 4.02Å; F247-L278 HydrophobicContact CD2-CG 4.28Å; F247-L278 HydrophobicContact CE1-CD2 4.41Å; F247-L278 HydrophobicContact CE1-CG 4.5Å; F247-L278 HydrophobicContact CE2-CD1 4.49Å; F247-L278 HydrophobicContact CE2-CD2 3.71Å; F247-L278 HydrophobicContact CE2-CG 4.37Å; F247-L278 HydrophobicContact CG-CD1 3.97Å; F247-L278 HydrophobicContact CG-CG 4.31Å; F247-L278 HydrophobicContact CZ-CD2 3.92Å; F247-L278 HydrophobicContact CZ-CG 4.47Å; F247-I317 HydrophobicContact CD2-CB 4.02Å; F247-I317 HydrophobicContact CD2-CG2 4.01Å; F247-I317 WeakPolarHBondContact CD2-O 3.46Å; F247-R319 HydrophobicContact CE2-CB 4.26Å |
| 248 | G | 92.8 | Very high | 88.9 | Confident | 54 Ų | 54 | 72.3 Ų | 72.3 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -126.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q246 E250 | Q246-G248 VanDerWaalsContact CG-O 3.27Å; Q246-G248 WeakPolarHBondContact CG-O 3.3Å; Q246-G248 PolarHBondContact NE2-O 3.28Å; G248-E250 VanDerWaalsContact C-N 3.34Å |
| 249 | E | 94.5 | Very high | 89.8 | Confident | 195 Ų | 195 | 70.9 Ų | 70.9 | 91% | 0.911 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -20.9 | 175.7 | -62.1 | 173.1 | 174.3 | 0 | 0 | 113.1 | F247 T251 | F247-E249 PolarHBondContact O-N 3.05Å; E249-T251 PolarHBondContact O-N 2.99Å |
| 250 | E | 95.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 23% | 0.229 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 115.1 | -171.4 | -166.8 | -179.9 | 171.8 | 0 | 0 | 111.5 | Q246 F247 G248 R252 F274 K277 | Q246-E250 WeakPolarHBondContact CA-O 3.41Å; F247-E250 PolarHBondContact N-O 3.4Å; F247-E250 PolarHBondContact O-N 3.23Å; F247-E250 VanDerWaalsContact O-N 3.1Å; G248-E250 VanDerWaalsContact C-N 3.34Å; E250-R252 IonicContact OE1-CZ 3.29Å; E250-R252 IonicContact OE1-NE 2.69Å; E250-R252 PolarHBondContact OE1-NE 3.31Å; E250-R252 IonicContact OE1-NH2 3.3Å; E250-R252 PolarHBondContact OE1-NH2 3.04Å; E250-F274 HydrophobicContact CB-CE1 4.16Å; E250-F274 HydrophobicContact CG-CD1 4.46Å; E250-F274 HydrophobicContact CG-CE1 3.93Å; E250-K277 WeakPolarHBondContact OE2-CD 3.31Å; E250-K277 VanDerWaalsContact OE2-CE 3.26Å; E250-K277 WeakPolarHBondContact OE2-CE 3.26Å; E250-K277 IonicContact OE2-NZ 3.16Å; E250-K277 PolarHBondContact OE2-NZ 2.92Å |
| 251 | T | 97.2 | Very high | 91.4 | Very high | 82 Ų | 82 | 68.9 Ų | 68.9 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.3 | 175.8 | -56 | 0 | 0 | 0 | 0 | 110.7 | L245 E249 | L245-T251 CarbonylContact O-C 3.55Å; L245-T251 WeakPolarHBondContact O-CA 3.39Å; E249-T251 PolarHBondContact O-N 2.99Å |
| 252 | R | 96.8 | Very high | 91.7 | Very high | 76 Ų | 76 | 70 Ų | 70 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.2 | 178.6 | -67.5 | -174.5 | 174.4 | -131.4 | -9.4 | 110.6 | L245 E250 M273 F274 | L245-R252 PolarHBondContact N-O 3.14Å; L245-R252 PolarHBondContact O-N 3.01Å; E250-R252 IonicContact OE1-CZ 3.29Å; E250-R252 IonicContact OE1-NE 2.69Å; E250-R252 PolarHBondContact OE1-NE 3.31Å; E250-R252 IonicContact OE1-NH2 3.3Å; E250-R252 PolarHBondContact OE1-NH2 3.04Å; R252-M273 HydrophobicContact CB-CE 4.12Å; R252-M273 WeakPolarHBondContact CD-O 3.37Å; R252-M273 PolarHBondContact NE-O 3.07Å; R252-M273 VanDerWaalsContact NE-O 3.12Å; R252-M273 PolarHBondContact NH1-O 2.95Å; R252-F274 HydrophobicContact CB-CE1 4.4Å; R252-F274 HydrophobicContact CB-CZ 4.05Å; R252-F274 HydrophobicContact CG-CE1 3.79Å; R252-F274 HydrophobicContact CG-CZ 3.96Å |
| 253 | R | 95.8 | Very high | 91.7 | Very high | 144 Ų | 144 | 71.9 Ų | 71.9 | 54% | 0.543 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 130.5 | 173.9 | -164 | 179.9 | 101.6 | -169.3 | 4.8 | 110.1 | V242 L243 F244 H255 | V242-R253 VanDerWaalsContact CG1-CD 3.47Å; V242-R253 HydrophobicContact CG1-CG 3.39Å; L243-R253 WeakPolarHBondContact O-CA 3.29Å; F244-R253 HydrophobicContact CD1-CB 4.28Å; F244-R253 HydrophobicContact CD1-CG 3.97Å; F244-R253 HydrophobicContact CE1-CB 4.29Å; F244-R253 HydrophobicContact CE1-CG 3.69Å; F244-R253 HydrophobicContact CZ-CG 4.21Å; R253-H255 PolarHBondContact NH2-CE1 3.26Å; R253-H255 PolarHBondContact NH2-NE2 3.05Å |
| 254 | V | 94.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 75.3 Ų | 75.3 | 6% | 0.061 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.9 | 178.3 | 131 | 0 | 0 | 0 | 0 | 109.8 | V242 L243 L245 I256 L269 M273 | V242-V254 VanDerWaalsContact CA-O 3.3Å; V242-V254 WeakPolarHBondContact CA-O 3.49Å; L243-V254 HydrophobicContact CB-CB 4.49Å; L243-V254 HydrophobicContact CB-CG1 4.1Å; L243-V254 PolarHBondContact N-O 3.19Å; L243-V254 PolarHBondContact O-N 3.27Å; L245-V254 HydrophobicContact CD1-CG2 4.43Å; V254-I256 HydrophobicContact CG1-CD1 3.81Å; V254-I256 HydrophobicContact CG1-CG1 3.32Å; V254-L269 HydrophobicContact CG1-CD1 3.96Å; V254-L269 HydrophobicContact CG1-CD2 4.18Å; V254-L269 HydrophobicContact CG2-CD1 4.39Å; V254-L269 HydrophobicContact CG2-CD2 4.35Å; V254-L269 HydrophobicContact CG2-CG 4.4Å; V254-M273 HydrophobicContact CG2-CE 3.92Å; V254-M273 HydrophobicContact CG2-CG 3.46Å; V254-M273 VanDerWaalsContact CG2-CG 3.46Å; V254-M273 HydrophobicContact CG2-SD 3.45Å; V254-M273 WeakPolarHBondContact CG2-SD 3.47Å |
| 255 | H | 91.9 | Very high | 91.5 | Very high | 76 Ų | 76 | 75 Ų | 75 | 35% | 0.352 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.7 | 164.7 | -60.2 | 98.5 | 0 | 0 | 0 | 109 | W14 G241 R253 | W14-H255 AromaticContact CH2-CE1 3.62Å; W14-H255 AromaticContact CH2-ND1 3.46Å; W14-H255 WeakPolarHBondContact CH2-ND1 3.06Å; W14-H255 AromaticContact CZ2-CE1 3.72Å; W14-H255 AromaticContact CZ2-ND1 3.79Å; G241-H255 CarbonylContact O-C 3.55Å; G241-H255 WeakPolarHBondContact O-CA 3.28Å; R253-H255 PolarHBondContact NH2-CE1 3.26Å; R253-H255 PolarHBondContact NH2-NE2 3.05Å |
| 256 | I | 88.2 | Confident | 91.4 | Very high | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.2 | -174.3 | -63.5 | -154.6 | 0 | 0 | 0 | 109.2 | P240 G241 L243 V254 H258 V260 L269 | P240-I256 CarbonylContact C-O 3.55Å; P240-I256 VanDerWaalsContact CA-O 3.29Å; P240-I256 WeakPolarHBondContact CA-O 3.39Å; P240-I256 WeakPolarHBondContact CB-O 3.45Å; G241-I256 PolarHBondContact N-O 3.06Å; G241-I256 PolarHBondContact O-N 3.15Å; L243-I256 HydrophobicContact CD1-CD1 3.41Å; L243-I256 VanDerWaalsContact CD1-CD1 3.41Å; L243-I256 HydrophobicContact CG-CD1 3.65Å; L243-I256 HydrophobicContact CG-CG1 4.28Å; V254-I256 HydrophobicContact CG1-CD1 3.81Å; V254-I256 HydrophobicContact CG1-CG1 3.32Å; I256-H258 WeakPolarHBondContact CG2-O 2.89Å; I256-V260 HydrophobicContact CD1-CG2 3.55Å; I256-V260 HydrophobicContact CG2-CG2 4.35Å; I256-L269 HydrophobicContact CD1-CD1 4.07Å; I256-L269 HydrophobicContact CG1-CD1 4.39Å |
| 257 | T | 79 | Confident | 91.3 | Very high | 100 Ų | 100 | 73.4 Ų | 73.4 | 61% | 0.613 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -91.6 | -12.7 | -179.8 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | P240 | P240-T257 HydrophobicContact CB-CG2 4.27Š|
| 258 | H | 75 | Confident | 91.2 | Very high | 144 Ų | 144 | 73.7 Ų | 73.7 | 67% | 0.667 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -142.1 | 134.5 | -179.2 | -55 | -57.3 | 0 | 0 | 0 | 109.2 | I256 | I256-H258 WeakPolarHBondContact CG2-O 2.89Š|
| 259 | E | 79.6 | Confident | 91.3 | Very high | 158 Ų | 158 | 73.1 Ų | 73.1 | 74% | 0.738 | 38% | 0.381 | S | S | * | . | trans | -54.1 | 139.8 | -178.8 | -67.2 | 166.7 | -176.4 | 0 | 0 | 111.7 | S261 | E259-S261 PolarHBondContact O-N 3.47Š| ||
| 260 | V | 86.9 | Confident | 91.4 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 13% | 0.127 | 34% | 0.338 | C | S | . | . | trans | -75.5 | 92.4 | -174.7 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | I256 S262 L266 V306 I309 | I256-V260 HydrophobicContact CD1-CG2 3.55Å; I256-V260 HydrophobicContact CG2-CG2 4.35Å; V260-S262 PolarHBondContact O-N 3.07Å; V260-L266 HydrophobicContact CG1-CB 3.89Å; V260-L266 HydrophobicContact CG1-CD1 4.48Å; V260-V306 WeakPolarHBondContact O-CB 3.49Å; V260-V306 WeakPolarHBondContact O-CG2 3.36Å; V260-I309 HydrophobicContact CB-CD1 3.94Å; V260-I309 HydrophobicContact CG1-CD1 3.77Å; V260-I309 HydrophobicContact CG2-CG2 4.48Å | ||
| 261 | S | 87.6 | Confident | 91.4 | Very high | 101 Ų | 101 | 62.3 Ų | 62.3 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | trans | -82.7 | -7.2 | -169.5 | 60 | 0 | 0 | 0 | 0 | 115.2 | E259 | E259-S261 PolarHBondContact O-N 3.47Š| ||
| 262 | S | 92.5 | Very high | 91.3 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 32% | 0.315 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -156.2 | 152.9 | 174.9 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | V260 D264 T265 L266 | V260-S262 PolarHBondContact O-N 3.07Å; S262-D264 PolarHBondContact O-N 3.17Å; S262-T265 PolarHBondContact N-OG1 3.48Å; S262-T265 PolarHBondContact O-N 3.43Å; S262-T265 PolarHBondContact O-OG1 3.43Å; S262-T265 PolarHBondContact OG-N 3.03Å; S262-L266 PolarHBondContact O-N 3.29Å; S262-L266 VanDerWaalsContact O-N 3.14Å |
| 263 | L | 93.6 | Very high | 91.2 | Very high | 63 Ų | 63 | 63.2 Ų | 63.2 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.1 | -34.4 | 173.9 | -82.2 | 169.1 | 0 | 0 | 0 | 111.8 | T265 L266 H267 V306 | L263-T265 PolarHBondContact O-N 3.39Å; L263-L266 HydrophobicContact CD2-CD2 4.3Å; L263-L266 CarbonylContact O-C 3.55Å; L263-L266 WeakPolarHBondContact O-CA 3.29Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 3.21Å; L263-L266 VanDerWaalsContact O-N 3.13Å; L263-H267 PolarHBondContact O-CD2 3Å; L263-H267 PolarHBondContact O-N 2.72Å; L263-H267 PolarHBondContact O-ND1 3.48Å; L263-V306 HydrophobicContact CD2-CG1 4.16Å; L263-V306 HydrophobicContact CG-CG1 3.93Å |
| 264 | D | 94.3 | Very high | 91.2 | Very high | 76 Ų | 76 | 56.5 Ų | 56.5 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.4 | -32.8 | 175.9 | -90 | 1.4 | 0 | 0 | 0 | 113.8 | S262 H267 A268 K284 | S262-D264 PolarHBondContact O-N 3.17Å; D264-H267 PolarHBondContact O-N 3.07Å; D264-H267 IonicContact OD1-ND1 3.12Å; D264-H267 PolarHBondContact OD1-ND1 3.16Å; D264-A268 WeakPolarHBondContact O-CB 3.43Å; D264-A268 PolarHBondContact O-N 3.45Å; D264-K284 VanDerWaalsContact OD1-CE 3.25Å; D264-K284 WeakPolarHBondContact OD1-CE 3.37Å; D264-K284 IonicContact OD1-NZ 2.79Å; D264-K284 PolarHBondContact OD1-NZ 3.27Å; D264-K284 IonicContact OD2-NZ 2.64Å; D264-K284 PolarHBondContact OD2-NZ 2.83Å |
| 265 | T | 93.4 | Very high | 91.2 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 39% | 0.387 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 169.4 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | S262 L263 A268 L269 | S262-T265 PolarHBondContact N-OG1 3.48Å; S262-T265 PolarHBondContact O-N 3.43Å; S262-T265 PolarHBondContact O-OG1 3.43Å; S262-T265 PolarHBondContact OG-N 3.03Å; L263-T265 PolarHBondContact O-N 3.39Å; T265-A268 PolarHBondContact O-N 3.45Å; T265-L269 WeakPolarHBondContact O-CB 3.47Å; T265-L269 PolarHBondContact O-N 3.31Å |
| 266 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 172.4 | -174.1 | 62.6 | 0 | 0 | 0 | 111.5 | V260 S262 L263 A268 L269 I270 I290 L303 I309 I315 | V260-L266 HydrophobicContact CG1-CB 3.89Å; V260-L266 HydrophobicContact CG1-CD1 4.48Å; S262-L266 PolarHBondContact O-N 3.29Å; S262-L266 VanDerWaalsContact O-N 3.14Å; L263-L266 HydrophobicContact CD2-CD2 4.3Å; L263-L266 CarbonylContact O-C 3.55Å; L263-L266 WeakPolarHBondContact O-CA 3.29Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 3.21Å; L263-L266 VanDerWaalsContact O-N 3.13Å; L266-A268 PolarHBondContact O-N 2.97Å; L266-L269 HydrophobicContact CD1-CD2 4.33Å; L266-L269 PolarHBondContact O-N 3.45Å; L266-I270 HydrophobicContact CD1-CD1 4.13Å; L266-I270 HydrophobicContact CD1-CG1 4.35Å; L266-I270 HydrophobicContact CD2-CD1 4.39Å; L266-I270 HydrophobicContact CG-CD1 3.78Å; L266-I270 HydrophobicContact CG-CG1 4.41Å; L266-I270 WeakPolarHBondContact O-CB 3.45Å; L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 3.27Å; L266-I290 HydrophobicContact CD2-CD1 4.44Å; L266-I290 HydrophobicContact CD2-CG2 4.15Å; L266-L303 HydrophobicContact CD2-CD2 3.49Å; L266-L303 VanDerWaalsContact CD2-CD2 3.49Å; L266-I309 HydrophobicContact CD1-CD1 4.45Å; L266-I309 HydrophobicContact CD2-CD1 4.06Å; L266-I315 HydrophobicContact CD1-CD1 4.18Å |
| 267 | H | 95.6 | Very high | 91.4 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 9% | 0.093 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 175.9 | -62 | 150.6 | 0 | 0 | 0 | 111.9 | L263 D264 L269 I270 A271 M280 L283 I290 | L263-H267 PolarHBondContact O-CD2 3Å; L263-H267 PolarHBondContact O-N 2.72Å; L263-H267 PolarHBondContact O-ND1 3.48Å; D264-H267 PolarHBondContact O-N 3.07Å; D264-H267 IonicContact OD1-ND1 3.12Å; D264-H267 PolarHBondContact OD1-ND1 3.16Å; H267-L269 VanDerWaalsContact C-N 3.35Å; H267-I270 PolarHBondContact O-N 2.84Å; H267-A271 VanDerWaalsContact O-CB 3.29Å; H267-A271 WeakPolarHBondContact O-CB 3.46Å; H267-A271 PolarHBondContact O-N 3.35Å; H267-M280 HydrophobicContact CB-CE 3.9Å; H267-M280 HydrophobicContact CB-SD 3.7Å; H267-L283 HydrophobicContact CB-CB 4.21Å; H267-L283 HydrophobicContact CB-CD1 4.43Å; H267-L283 WeakPolarHBondContact O-CD1 3.37Å; H267-I290 WeakPolarHBondContact NE2-CD1 3.47Å |
| 268 | A | 95 | Very high | 92.2 | Very high | 47 Ų | 47 | 64 Ų | 64 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D264 T265 L266 H272 M280 | D264-A268 WeakPolarHBondContact O-CB 3.43Å; D264-A268 PolarHBondContact O-N 3.45Å; T265-A268 PolarHBondContact O-N 3.45Å; L266-A268 PolarHBondContact O-N 2.97Å; A268-H272 VanDerWaalsContact O-CB 3.25Å; A268-H272 WeakPolarHBondContact O-CB 3.41Å; A268-H272 PolarHBondContact O-N 3.27Å; A268-M280 HydrophobicContact CB-CE 3.87Å |
| 269 | L | 95.1 | Very high | 93.1 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65 | -47.2 | 175.9 | -179 | 125.6 | 0 | 0 | 0 | 111.9 | L245 V254 I256 T265 L266 H267 H272 M273 | L245-L269 HydrophobicContact CD1-CD2 3.75Å; L245-L269 HydrophobicContact CD2-CD2 4.41Å; V254-L269 HydrophobicContact CG1-CD1 3.96Å; V254-L269 HydrophobicContact CG1-CD2 4.18Å; V254-L269 HydrophobicContact CG2-CD1 4.39Å; V254-L269 HydrophobicContact CG2-CD2 4.35Å; V254-L269 HydrophobicContact CG2-CG 4.4Å; I256-L269 HydrophobicContact CD1-CD1 4.07Å; I256-L269 HydrophobicContact CG1-CD1 4.39Å; T265-L269 WeakPolarHBondContact O-CB 3.47Å; T265-L269 PolarHBondContact O-N 3.31Å; L266-L269 HydrophobicContact CD1-CD2 4.33Å; L266-L269 PolarHBondContact O-N 3.45Å; H267-L269 VanDerWaalsContact C-N 3.35Å; L269-H272 PolarHBondContact O-N 2.94Å; L269-M273 VanDerWaalsContact O-CG 3.31Å; L269-M273 WeakPolarHBondContact O-CG 3.48Å; L269-M273 PolarHBondContact O-N 3.47Å |
| 270 | I | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 177.2 | -68 | 166.5 | 0 | 0 | 0 | 110.9 | L245 L266 H267 H272 M273 F274 L278 L283 I290 I317 | L245-I270 HydrophobicContact CD1-CG1 4.19Å; L245-I270 HydrophobicContact CD2-CG1 4.43Å; L266-I270 HydrophobicContact CD1-CD1 4.13Å; L266-I270 HydrophobicContact CD1-CG1 4.35Å; L266-I270 HydrophobicContact CD2-CD1 4.39Å; L266-I270 HydrophobicContact CG-CD1 3.78Å; L266-I270 HydrophobicContact CG-CG1 4.41Å; L266-I270 WeakPolarHBondContact O-CB 3.45Å; L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 3.27Å; H267-I270 PolarHBondContact O-N 2.84Å; I270-H272 VanDerWaalsContact C-N 3.3Å; I270-H272 PolarHBondContact O-N 2.91Å; I270-M273 PolarHBondContact O-N 3.03Å; I270-M273 VanDerWaalsContact O-N 3.14Å; I270-F274 HydrophobicContact CG2-CD2 4.16Å; I270-F274 WeakPolarHBondContact O-CD2 3.49Å; I270-F274 PolarHBondContact O-N 3.4Å; I270-L278 HydrophobicContact CG2-CD1 3.52Å; I270-L283 HydrophobicContact CB-CD1 4.07Å; I270-L283 HydrophobicContact CB-CD2 4.36Å; I270-L283 HydrophobicContact CD1-CD2 4.46Å; I270-L283 HydrophobicContact CG2-CD1 3.86Å; I270-L283 HydrophobicContact CG2-CD2 3.74Å; I270-L283 HydrophobicContact CG2-CG 4.44Å; I270-I290 HydrophobicContact CD1-CD1 3.92Å; I270-I317 HydrophobicContact CD1-CD1 4.25Å; I270-I317 HydrophobicContact CD1-CG1 3.92Å; I270-I317 HydrophobicContact CG1-CD1 4.39Å; I270-I317 HydrophobicContact CG1-CG1 4.45Å; I270-I317 HydrophobicContact CG2-CD1 4.21Å; I270-I317 HydrophobicContact CG2-CG1 3.94Å |
| 271 | A | 95.9 | Very high | 94.2 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H267 M273 F274 P275 L283 | H267-A271 VanDerWaalsContact O-CB 3.29Å; H267-A271 WeakPolarHBondContact O-CB 3.46Å; H267-A271 PolarHBondContact O-N 3.35Å; A271-M273 VanDerWaalsContact C-N 3.35Å; A271-F274 CarbonylContact O-C 3.53Å; A271-P275 VanDerWaalsContact O-CA 3.26Å; A271-P275 WeakPolarHBondContact O-CA 3.43Å; A271-L283 HydrophobicContact CB-CD1 3.9Å |
| 272 | H | 94.9 | Very high | 94.5 | Very high | 145 Ų | 145 | 55.3 Ų | 55.3 | 67% | 0.671 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.1 | -33.7 | 174.9 | -173.2 | 68.1 | 0 | 0 | 0 | 112.7 | A268 L269 I270 P275 | A268-H272 VanDerWaalsContact O-CB 3.25Å; A268-H272 WeakPolarHBondContact O-CB 3.41Å; A268-H272 PolarHBondContact O-N 3.27Å; L269-H272 PolarHBondContact O-N 2.94Å; I270-H272 VanDerWaalsContact C-N 3.3Å; I270-H272 PolarHBondContact O-N 2.91Å; H272-P275 WeakPolarHBondContact O-CD 3.43Å |
| 273 | M | 95.6 | Very high | 94.6 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 16% | 0.158 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.2 | -30.4 | 177.3 | -67.9 | -49 | -62.1 | 0 | 0 | 113.3 | L245 R252 V254 L269 I270 A271 P275 | L245-M273 HydrophobicContact CD1-CB 4.06Å; L245-M273 HydrophobicContact CD1-CG 3.91Å; R252-M273 HydrophobicContact CB-CE 4.12Å; R252-M273 WeakPolarHBondContact CD-O 3.37Å; R252-M273 PolarHBondContact NE-O 3.07Å; R252-M273 VanDerWaalsContact NE-O 3.12Å; R252-M273 PolarHBondContact NH1-O 2.95Å; V254-M273 HydrophobicContact CG2-CE 3.92Å; V254-M273 HydrophobicContact CG2-CG 3.46Å; V254-M273 VanDerWaalsContact CG2-CG 3.46Å; V254-M273 HydrophobicContact CG2-SD 3.45Å; V254-M273 WeakPolarHBondContact CG2-SD 3.47Å; L269-M273 VanDerWaalsContact O-CG 3.31Å; L269-M273 WeakPolarHBondContact O-CG 3.48Å; L269-M273 PolarHBondContact O-N 3.47Å; I270-M273 PolarHBondContact O-N 3.03Å; I270-M273 VanDerWaalsContact O-N 3.14Å; A271-M273 VanDerWaalsContact C-N 3.35Å; M273-P275 WeakPolarHBondContact O-CD 3.28Å |
| 274 | F | 96.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -121.2 | 52.2 | 180 | -59.1 | -83.5 | 0 | 0 | 0 | 113.3 | L245 F247 E250 R252 I270 A271 Q276 K277 L278 I317 | L245-F274 HydrophobicContact CB-CE2 3.74Å; L245-F274 HydrophobicContact CB-CZ 4.09Å; L245-F274 HydrophobicContact CD1-CE2 4.24Å; F247-F274 HydrophobicContact CB-CD1 4.28Å; F247-F274 HydrophobicContact CB-CE1 4.07Å; F247-F274 HydrophobicContact CB-CE2 4.46Å; F247-F274 HydrophobicContact CB-CZ 4.16Å; E250-F274 HydrophobicContact CB-CE1 4.16Å; E250-F274 HydrophobicContact CG-CD1 4.46Å; E250-F274 HydrophobicContact CG-CE1 3.93Å; R252-F274 HydrophobicContact CB-CE1 4.4Å; R252-F274 HydrophobicContact CB-CZ 4.05Å; R252-F274 HydrophobicContact CG-CE1 3.79Å; R252-F274 HydrophobicContact CG-CZ 3.96Å; I270-F274 HydrophobicContact CG2-CD2 4.16Å; I270-F274 WeakPolarHBondContact O-CD2 3.49Å; I270-F274 PolarHBondContact O-N 3.4Å; A271-F274 CarbonylContact O-C 3.53Å; F274-Q276 PolarHBondContact O-N 2.87Å; F274-K277 HydrophobicContact CB-CB 4.42Å; F274-K277 PolarHBondContact O-N 3.35Å; F274-L278 HydrophobicContact CB-CB 4.19Å; F274-L278 HydrophobicContact CB-CD1 4.06Å; F274-L278 HydrophobicContact CB-CG 4.22Å; F274-L278 HydrophobicContact CD2-CD1 4.1Å; F274-L278 HydrophobicContact CG-CD1 4.27Å; F274-L278 PolarHBondContact O-N 3.48Å; F274-I317 HydrophobicContact CE2-CD1 4.46Å |
| 275 | P | 94.1 | Very high | 94.5 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.3 | -163.9 | 29.2 | -37.1 | 0 | 0 | 0 | 114.9 | A271 H272 M273 | A271-P275 VanDerWaalsContact O-CA 3.26Å; A271-P275 WeakPolarHBondContact O-CA 3.43Å; H272-P275 WeakPolarHBondContact O-CD 3.43Å; M273-P275 WeakPolarHBondContact O-CD 3.28Å |
| 276 | Q | 93.3 | Very high | 94.4 | Very high | 183 Ų | 183 | 57 Ų | 57 | 86% | 0.855 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -2.6 | 175.8 | -54.6 | -64.8 | 2.2 | 0 | 0 | 113.2 | F274 | F274-Q276 PolarHBondContact O-N 2.87Š|
| 277 | K | 92.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 60 Ų | 60 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -28.6 | -175.4 | -70.9 | -174.9 | 176.6 | 175 | 0 | 113.8 | F247 E250 F274 M282 | F247-K277 HydrophobicContact CD1-CB 4.06Å; F247-K277 HydrophobicContact CD1-CD 3.88Å; F247-K277 HydrophobicContact CE1-CB 3.89Å; F247-K277 HydrophobicContact CE1-CD 4.04Å; F247-K277 HydrophobicContact CE1-CG 4.45Å; E250-K277 WeakPolarHBondContact OE2-CD 3.31Å; E250-K277 VanDerWaalsContact OE2-CE 3.26Å; E250-K277 WeakPolarHBondContact OE2-CE 3.26Å; E250-K277 IonicContact OE2-NZ 3.16Å; E250-K277 PolarHBondContact OE2-NZ 2.92Å; F274-K277 HydrophobicContact CB-CB 4.42Å; F274-K277 PolarHBondContact O-N 3.35Å; K277-M282 WeakPolarHBondContact O-CE 3.4Å |
| 278 | L | 94 | Very high | 94.3 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | trans | -132.1 | 131.2 | -177.5 | -66.1 | 174.9 | 0 | 0 | 0 | 110.3 | F247 I270 F274 M282 L283 I317 | F247-L278 HydrophobicContact CB-CD1 4.27Å; F247-L278 HydrophobicContact CD1-CG 4.42Å; F247-L278 HydrophobicContact CD2-CD1 3.96Å; F247-L278 HydrophobicContact CD2-CD2 4.02Å; F247-L278 HydrophobicContact CD2-CG 4.28Å; F247-L278 HydrophobicContact CE1-CD2 4.41Å; F247-L278 HydrophobicContact CE1-CG 4.5Å; F247-L278 HydrophobicContact CE2-CD1 4.49Å; F247-L278 HydrophobicContact CE2-CD2 3.71Å; F247-L278 HydrophobicContact CE2-CG 4.37Å; F247-L278 HydrophobicContact CG-CD1 3.97Å; F247-L278 HydrophobicContact CG-CG 4.31Å; F247-L278 HydrophobicContact CZ-CD2 3.92Å; F247-L278 HydrophobicContact CZ-CG 4.47Å; I270-L278 HydrophobicContact CG2-CD1 3.52Å; F274-L278 HydrophobicContact CB-CB 4.19Å; F274-L278 HydrophobicContact CB-CD1 4.06Å; F274-L278 HydrophobicContact CB-CG 4.22Å; F274-L278 HydrophobicContact CD2-CD1 4.1Å; F274-L278 HydrophobicContact CG-CD1 4.27Å; F274-L278 PolarHBondContact O-N 3.48Å; L278-M282 HydrophobicContact CD2-CE 4.06Å; L278-L283 HydrophobicContact CB-CD1 4.41Å; L278-L283 HydrophobicContact CD1-CD2 4.49Å; L278-I317 HydrophobicContact CD1-CB 4.38Å; L278-I317 HydrophobicContact CD1-CG2 3.95Å; L278-I317 HydrophobicContact CD2-CG2 4.45Å | ||
| 279 | T | 94.8 | Very high | 94.3 | Very high | 78 Ų | 78 | 58.4 Ų | 58.4 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | trans | -111.5 | 158 | 172.6 | 68.3 | 0 | 0 | 0 | 0 | 110.6 | G281 M282 L283 | T279-G281 PolarHBondContact O-N 3.11Å; T279-M282 HydrophobicContact CG2-SD 4.08Å; T279-M282 PolarHBondContact O-N 3.38Å; T279-M282 VanDerWaalsContact O-N 3.08Å; T279-M282 WeakPolarHBondContact OG1-CG 3.29Å; T279-M282 PolarHBondContact OG1-N 2.92Å; T279-M282 PolarHBondContact OG1-SD 2.77Å; T279-L283 PolarHBondContact O-N 3.46Å; T279-L283 VanDerWaalsContact O-N 3.09Å | ||
| 280 | M | 95.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 34% | 0.335 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.3 | -39.7 | 175.7 | 178.8 | 59.1 | 68.9 | 0 | 0 | 112.6 | H267 A268 M282 L283 K284 | H267-M280 HydrophobicContact CB-CE 3.9Å; H267-M280 HydrophobicContact CB-SD 3.7Å; A268-M280 HydrophobicContact CB-CE 3.87Å; M280-M282 VanDerWaalsContact C-N 3.35Å; M280-M282 PolarHBondContact O-N 2.89Å; M280-L283 PolarHBondContact O-N 2.76Å; M280-K284 HydrophobicContact CG-CD 4.14Å; M280-K284 PolarHBondContact O-N 2.86Å; M280-K284 HydrophobicContact SD-CD 3.93Å; M280-K284 VanDerWaalsContact SD-CE 3.5Å; M280-K284 HydrophobicContact SD-CG 4.14Å |
| 281 | G | 94.2 | Very high | 94.4 | Very high | 55 Ų | 55 | 59 Ų | 59 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.2 | -32.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T279 S285 | T279-G281 PolarHBondContact O-N 3.11Å; G281-S285 PolarHBondContact O-N 2.85Å |
| 282 | M | 93.2 | Very high | 94.5 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 20% | 0.197 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.5 | -42.7 | 174.2 | -69.7 | 158.2 | 58.7 | 0 | 0 | 111.6 | K277 L278 T279 M280 K284 S285 T288 | K277-M282 WeakPolarHBondContact O-CE 3.4Å; L278-M282 HydrophobicContact CD2-CE 4.06Å; T279-M282 HydrophobicContact CG2-SD 4.08Å; T279-M282 PolarHBondContact O-N 3.38Å; T279-M282 VanDerWaalsContact O-N 3.08Å; T279-M282 WeakPolarHBondContact OG1-CG 3.29Å; T279-M282 PolarHBondContact OG1-N 2.92Å; T279-M282 PolarHBondContact OG1-SD 2.77Å; M280-M282 VanDerWaalsContact C-N 3.35Å; M280-M282 PolarHBondContact O-N 2.89Å; M282-K284 VanDerWaalsContact C-N 3.34Å; M282-K284 PolarHBondContact O-N 2.89Å; M282-S285 WeakPolarHBondContact O-CB 3.39Å; M282-S285 PolarHBondContact O-N 3.12Å; M282-S285 VanDerWaalsContact O-N 3.08Å; M282-S285 PolarHBondContact O-OG 2.97Å; M282-T288 WeakPolarHBondContact O-CB 3.43Å; M282-T288 PolarHBondContact O-OG1 3.19Å |
| 283 | L | 94.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 179 | -72.7 | 158.6 | 0 | 0 | 0 | 112.5 | H267 I270 A271 L278 T279 M280 S285 T288 I290 I317 | H267-L283 HydrophobicContact CB-CB 4.21Å; H267-L283 HydrophobicContact CB-CD1 4.43Å; H267-L283 WeakPolarHBondContact O-CD1 3.37Å; I270-L283 HydrophobicContact CB-CD1 4.07Å; I270-L283 HydrophobicContact CB-CD2 4.36Å; I270-L283 HydrophobicContact CD1-CD2 4.46Å; I270-L283 HydrophobicContact CG2-CD1 3.86Å; I270-L283 HydrophobicContact CG2-CD2 3.74Å; I270-L283 HydrophobicContact CG2-CG 4.44Å; A271-L283 HydrophobicContact CB-CD1 3.9Å; L278-L283 HydrophobicContact CB-CD1 4.41Å; L278-L283 HydrophobicContact CD1-CD2 4.49Å; T279-L283 PolarHBondContact O-N 3.46Å; T279-L283 VanDerWaalsContact O-N 3.09Å; M280-L283 PolarHBondContact O-N 2.76Å; L283-S285 VanDerWaalsContact C-N 3.25Å; L283-S285 PolarHBondContact O-N 3.32Å; L283-T288 HydrophobicContact CD2-CG2 4.08Å; L283-I290 HydrophobicContact CD2-CD1 4.48Å; L283-I317 HydrophobicContact CD2-CG2 4.2Å |
| 284 | K | 93.9 | Very high | 94.7 | Very high | 113 Ų | 113 | 53.8 Ų | 53.8 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.2 | 172.3 | -72.6 | 175 | 173.1 | -81.5 | 0 | 114.3 | D264 M280 M282 | D264-K284 VanDerWaalsContact OD1-CE 3.25Å; D264-K284 WeakPolarHBondContact OD1-CE 3.37Å; D264-K284 IonicContact OD1-NZ 2.79Å; D264-K284 PolarHBondContact OD1-NZ 3.27Å; D264-K284 IonicContact OD2-NZ 2.64Å; D264-K284 PolarHBondContact OD2-NZ 2.83Å; M280-K284 HydrophobicContact CG-CD 4.14Å; M280-K284 PolarHBondContact O-N 2.86Å; M280-K284 HydrophobicContact SD-CD 3.93Å; M280-K284 VanDerWaalsContact SD-CE 3.5Å; M280-K284 HydrophobicContact SD-CG 4.14Å; M282-K284 VanDerWaalsContact C-N 3.34Å; M282-K284 PolarHBondContact O-N 2.89Å |
| 285 | S | 92.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -94.1 | 144 | 178.8 | 77.9 | 0 | 0 | 0 | 0 | 111.4 | G281 M282 L283 N287 T288 | G281-S285 PolarHBondContact O-N 2.85Å; M282-S285 WeakPolarHBondContact O-CB 3.39Å; M282-S285 PolarHBondContact O-N 3.12Å; M282-S285 VanDerWaalsContact O-N 3.08Å; M282-S285 PolarHBondContact O-OG 2.97Å; L283-S285 VanDerWaalsContact C-N 3.25Å; L283-S285 PolarHBondContact O-N 3.32Å; S285-N287 PolarHBondContact O-N 3.44Å; S285-T288 PolarHBondContact O-N 2.91Å |
| 286 | P | 91.3 | Very high | 94.6 | Very high | 132 Ų | 132 | 62 Ų | 62 | 86% | 0.857 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 3.1 | 178.3 | 30.4 | -37.4 | 0 | 0 | 0 | 114 | ||
| 287 | N | 92.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 62.7 Ų | 62.7 | 34% | 0.342 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -2.3 | 170.2 | -64.7 | -42.6 | 0 | 0 | 0 | 112.5 | S285 R319 K320 | S285-N287 PolarHBondContact O-N 3.44Å; N287-R319 CarbonylContact O-C 3.54Å; N287-R319 WeakPolarHBondContact O-CA 3.27Å; N287-K320 PolarHBondContact O-N 2.86Å |
| 288 | T | 94.6 | Very high | 94.9 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 9% | 0.092 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.9 | 175.5 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | M282 L283 S285 I317 Y318 | M282-T288 WeakPolarHBondContact O-CB 3.43Å; M282-T288 PolarHBondContact O-OG1 3.19Å; L283-T288 HydrophobicContact CD2-CG2 4.08Å; S285-T288 PolarHBondContact O-N 2.91Å; T288-I317 HydrophobicContact CG2-CG2 3.68Å; T288-Y318 CarbonylContact C-O 3.6Å; T288-Y318 WeakPolarHBondContact CA-O 3.39Å |
| 289 | A | 95.4 | Very high | 95 | Very high | 19 Ų | 19 | 66.9 Ų | 66.9 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L291 Y318 | A289-L291 HydrophobicContact CB-CD2 4.48Å; A289-Y318 PolarHBondContact N-O 3.33Å; A289-Y318 PolarHBondContact O-N 3.32Å |
| 290 | I | 96.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 113.4 | 176.4 | -62.3 | 180 | 0 | 0 | 0 | 107.3 | L266 H267 I270 L283 L303 I315 | L266-I290 HydrophobicContact CD2-CD1 4.44Å; L266-I290 HydrophobicContact CD2-CG2 4.15Å; H267-I290 WeakPolarHBondContact NE2-CD1 3.47Å; I270-I290 HydrophobicContact CD1-CD1 3.92Å; L283-I290 HydrophobicContact CD2-CD1 4.48Å; I290-L303 HydrophobicContact CG2-CB 4.19Å; I290-L303 HydrophobicContact CG2-CD2 3.91Å; I290-L303 WeakPolarHBondContact O-CB 3.27Å; I290-L303 PolarHBondContact O-N 3.41Å; I290-I315 HydrophobicContact CG2-CG2 3.52Å |
| 291 | L | 97.3 | Very high | 95.3 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.8 | -175.2 | -54.2 | 176.4 | 0 | 0 | 0 | 110.2 | A289 F300 Y301 E302 I315 K316 | A289-L291 HydrophobicContact CB-CD2 4.48Å; L291-F300 HydrophobicContact CB-CB 4.32Å; L291-F300 HydrophobicContact CB-CD1 4.3Å; L291-Y301 CarbonylContact C-O 3.44Å; L291-Y301 WeakPolarHBondContact CA-O 3.49Å; L291-E302 HydrophobicContact CD2-CB 4.1Å; L291-I315 CarbonylContact O-C 3.54Å; L291-I315 VanDerWaalsContact O-CA 3.28Å; L291-I315 WeakPolarHBondContact O-CA 3.36Å; L291-K316 HydrophobicContact CB-CB 4.27Å; L291-K316 PolarHBondContact N-O 2.95Å; L291-K316 PolarHBondContact O-N 2.92Å |
| 292 | I | 97.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 145.8 | 172.7 | -173.9 | 163.3 | 0 | 0 | 0 | 110.1 | F300 Y301 L303 D308 I315 | I292-F300 WeakPolarHBondContact O-CA 3.35Å; I292-Y301 HydrophobicContact CG2-CD1 4.13Å; I292-Y301 HydrophobicContact CG2-CD2 3.94Å; I292-Y301 HydrophobicContact CG2-CE1 3.69Å; I292-Y301 HydrophobicContact CG2-CE2 3.49Å; I292-Y301 VanDerWaalsContact CG2-CE2 3.49Å; I292-Y301 HydrophobicContact CG2-CG 4.25Å; I292-Y301 PolarHBondContact N-O 2.94Å; I292-Y301 WeakPolarHBondContact O-CD1 3.49Å; I292-Y301 PolarHBondContact O-N 3.41Å; I292-L303 HydrophobicContact CB-CB 4.43Å; I292-L303 HydrophobicContact CB-CD1 4.06Å; I292-L303 HydrophobicContact CD1-CD1 3.95Å; I292-L303 HydrophobicContact CG2-CB 4.13Å; I292-L303 HydrophobicContact CG2-CD1 3.73Å; I292-D308 HydrophobicContact CD1-CB 4.33Å; I292-D308 WeakPolarHBondContact CD1-O 3.48Å; I292-I315 HydrophobicContact CG1-CG1 4.45Å |
| 293 | K | 97.7 | Very high | 95.5 | Very high | 51 Ų | 51 | 68.2 Ų | 68.2 | 22% | 0.222 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123 | 175.4 | -163.3 | -161 | 167.2 | -164 | 0 | 111.2 | E295 N298 F300 I314 | K293-E295 PolarHBondContact O-N 3.42Å; K293-N298 VanDerWaalsContact CE-OD1 3.27Å; K293-N298 WeakPolarHBondContact CE-OD1 3.14Å; K293-N298 PolarHBondContact NZ-OD1 2.97Å; K293-F300 HydrophobicContact CB-CD1 3.97Å; K293-F300 HydrophobicContact CB-CE1 3.62Å; K293-F300 HydrophobicContact CB-CE2 4.28Å; K293-F300 HydrophobicContact CB-CG 4.45Å; K293-F300 HydrophobicContact CB-CZ 3.79Å; K293-F300 HydrophobicContact CD-CE2 4.37Å; K293-F300 HydrophobicContact CD-CZ 4.27Å; K293-F300 HydrophobicContact CG-CD1 4.5Å; K293-F300 HydrophobicContact CG-CD2 4.26Å; K293-F300 HydrophobicContact CG-CE1 4.18Å; K293-F300 HydrophobicContact CG-CE2 3.91Å; K293-F300 HydrophobicContact CG-CZ 3.87Å; K293-I314 HydrophobicContact CB-CB 4.13Å; K293-I314 HydrophobicContact CD-CD1 4.26Å; K293-I314 PolarHBondContact N-O 3.48Å |
| 294 | D | 96.6 | Very high | 95.4 | Very high | 33 Ų | 33 | 76.4 Ų | 76.4 | 18% | 0.176 | 39% | 0.391 | C | S | . | . | trans | -71 | 117.2 | 157.7 | -173.5 | -31 | 0 | 0 | 0 | 108.6 | A296 R297 N298 V299 Y301 | D294-A296 WeakPolarHBondContact OD1-CA 3.19Å; D294-A296 WeakPolarHBondContact OD1-CB 3.41Å; D294-A296 PolarHBondContact OD1-N 3.35Å; D294-R297 HydrophobicContact CB-CB 4.16Å; D294-R297 PolarHBondContact OD1-N 3.45Å; D294-R297 WeakPolarHBondContact OD2-CB 3.45Å; D294-R297 WeakPolarHBondContact OD2-CD 3.17Å; D294-R297 WeakPolarHBondContact OD2-CG 3.39Å; D294-R297 IonicContact OD2-NE 3.65Å; D294-N298 WeakPolarHBondContact O-CA 3.22Å; D294-N298 PolarHBondContact O-N 3.49Å; D294-V299 WeakPolarHBondContact CB-O 3.43Å; D294-V299 PolarHBondContact N-O 3.49Å; D294-Y301 HydrophobicContact CB-CD1 4.04Å; D294-Y301 HydrophobicContact CB-CE1 3.82Å | ||
| 295 | E | 94 | Very high | 95.4 | Very high | 159 Ų | 159 | 73.2 Ų | 73.2 | 74% | 0.743 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -32.5 | 178.2 | -173.6 | 166.1 | -159.4 | 0 | 0 | 112.8 | K293 N298 | K293-E295 PolarHBondContact O-N 3.42Å; E295-N298 PolarHBondContact O-ND2 3.33Å |
| 296 | A | 94.6 | Very high | 95.4 | Very high | 95 Ų | 95 | 73 Ų | 73 | 79% | 0.785 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -39.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | D294 | D294-A296 WeakPolarHBondContact OD1-CA 3.19Å; D294-A296 WeakPolarHBondContact OD1-CB 3.41Å; D294-A296 PolarHBondContact OD1-N 3.35Å |
| 297 | R | 95.5 | Very high | 95.4 | Very high | 199 Ų | 199 | 76.3 Ų | 76.3 | 75% | 0.751 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -13.7 | 177.1 | -59 | -178.6 | -173.7 | 154.8 | -0.5 | 113.8 | D294 V299 | D294-R297 HydrophobicContact CB-CB 4.16Å; D294-R297 PolarHBondContact OD1-N 3.45Å; D294-R297 WeakPolarHBondContact OD2-CB 3.45Å; D294-R297 WeakPolarHBondContact OD2-CD 3.17Å; D294-R297 WeakPolarHBondContact OD2-CG 3.39Å; D294-R297 IonicContact OD2-NE 3.65Å; R297-V299 PolarHBondContact O-N 3.47Å |
| 298 | N | 95.8 | Very high | 95.4 | Very high | 103 Ų | 103 | 76.1 Ų | 76.1 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | trans | 58.5 | 18.9 | -173.5 | -75.4 | -83.7 | 0 | 0 | 0 | 115.6 | K293 D294 E295 | K293-N298 VanDerWaalsContact CE-OD1 3.27Å; K293-N298 WeakPolarHBondContact CE-OD1 3.14Å; K293-N298 PolarHBondContact NZ-OD1 2.97Å; D294-N298 WeakPolarHBondContact O-CA 3.22Å; D294-N298 PolarHBondContact O-N 3.49Å; E295-N298 PolarHBondContact O-ND2 3.33Å | ||
| 299 | V | 97.3 | Very high | 95.3 | Very high | 88 Ų | 88 | 76.7 Ų | 76.7 | 53% | 0.533 | 37% | 0.374 | S | S | . | . | trans | -102.5 | 147.8 | 179.8 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | D294 R297 | D294-V299 WeakPolarHBondContact CB-O 3.43Å; D294-V299 PolarHBondContact N-O 3.49Å; R297-V299 PolarHBondContact O-N 3.47Å | ||
| 300 | F | 97.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 82.4 Ų | 82.4 | 26% | 0.263 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.9 | 168.4 | -76 | -94.7 | 0 | 0 | 0 | 109.9 | L291 I292 K293 I314 K316 | L291-F300 HydrophobicContact CB-CB 4.32Å; L291-F300 HydrophobicContact CB-CD1 4.3Å; I292-F300 WeakPolarHBondContact O-CA 3.35Å; K293-F300 HydrophobicContact CB-CD1 3.97Å; K293-F300 HydrophobicContact CB-CE1 3.62Å; K293-F300 HydrophobicContact CB-CE2 4.28Å; K293-F300 HydrophobicContact CB-CG 4.45Å; K293-F300 HydrophobicContact CB-CZ 3.79Å; K293-F300 HydrophobicContact CD-CE2 4.37Å; K293-F300 HydrophobicContact CD-CZ 4.27Å; K293-F300 HydrophobicContact CG-CD1 4.5Å; K293-F300 HydrophobicContact CG-CD2 4.26Å; K293-F300 HydrophobicContact CG-CE1 4.18Å; K293-F300 HydrophobicContact CG-CE2 3.91Å; K293-F300 HydrophobicContact CG-CZ 3.87Å; F300-I314 HydrophobicContact CE1-CG2 4.18Å; F300-I314 HydrophobicContact CZ-CG2 4.15Å; F300-K316 HydrophobicContact CD1-CB 4.29Å; F300-K316 HydrophobicContact CD1-CD 3.88Å; F300-K316 HydrophobicContact CD1-CG 4.2Å; F300-K316 HydrophobicContact CD2-CD 4.43Å; F300-K316 HydrophobicContact CE1-CB 4.18Å; F300-K316 HydrophobicContact CE1-CD 3.55Å; F300-K316 HydrophobicContact CE1-CG 3.68Å; F300-K316 HydrophobicContact CE2-CD 4.15Å; F300-K316 HydrophobicContact CG-CD 4.31Å; F300-K316 HydrophobicContact CZ-CD 3.7Å; F300-K316 VanDerWaalsContact CZ-CE 3.48Å; F300-K316 HydrophobicContact CZ-CG 4.16Å |
| 301 | Y | 97.6 | Very high | 94.9 | Very high | 85 Ų | 85 | 85.2 Ų | 85.2 | 33% | 0.333 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 162.7 | 175.9 | 65.5 | -83.1 | 0 | 0 | 0 | 110.5 | L291 I292 D294 D308 | L291-Y301 CarbonylContact C-O 3.44Å; L291-Y301 WeakPolarHBondContact CA-O 3.49Å; I292-Y301 HydrophobicContact CG2-CD1 4.13Å; I292-Y301 HydrophobicContact CG2-CD2 3.94Å; I292-Y301 HydrophobicContact CG2-CE1 3.69Å; I292-Y301 HydrophobicContact CG2-CE2 3.49Å; I292-Y301 VanDerWaalsContact CG2-CE2 3.49Å; I292-Y301 HydrophobicContact CG2-CG 4.25Å; I292-Y301 PolarHBondContact N-O 2.94Å; I292-Y301 WeakPolarHBondContact O-CD1 3.49Å; I292-Y301 PolarHBondContact O-N 3.41Å; D294-Y301 HydrophobicContact CB-CD1 4.04Å; D294-Y301 HydrophobicContact CB-CE1 3.82Å; Y301-D308 PolarHBondContact OH-OD2 3.08Å |
| 302 | E | 96.4 | Very high | 94.7 | Very high | 114 Ų | 114 | 91.4 Ų | 91.4 | 53% | 0.533 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 135.1 | -179 | -170.3 | 155.1 | -162.4 | 0 | 0 | 111.6 | L291 E304 | L291-E302 HydrophobicContact CD2-CB 4.1Å; E302-E304 PolarHBondContact O-N 3.08Å; E302-E304 VanDerWaalsContact O-N 3.12Å |
| 303 | L | 96 | Very high | 94.6 | Very high | 9 Ų | 9 | 92.1 Ų | 92.1 | 5% | 0.047 | 44% | 0.438 | C | S | . | . | trans | -84.3 | 84 | -172.7 | -177.3 | 69.2 | 0 | 0 | 0 | 110.7 | L266 I290 I292 D305 D308 I309 | L266-L303 HydrophobicContact CD2-CD2 3.49Å; L266-L303 VanDerWaalsContact CD2-CD2 3.49Å; I290-L303 HydrophobicContact CG2-CB 4.19Å; I290-L303 HydrophobicContact CG2-CD2 3.91Å; I290-L303 WeakPolarHBondContact O-CB 3.27Å; I290-L303 PolarHBondContact O-N 3.41Å; I292-L303 HydrophobicContact CB-CB 4.43Å; I292-L303 HydrophobicContact CB-CD1 4.06Å; I292-L303 HydrophobicContact CD1-CD1 3.95Å; I292-L303 HydrophobicContact CG2-CB 4.13Å; I292-L303 HydrophobicContact CG2-CD1 3.73Å; L303-D305 VanDerWaalsContact CD1-O 3.22Å; L303-D305 WeakPolarHBondContact CD1-O 3.38Å; L303-D308 HydrophobicContact CD1-CB 4.07Å; L303-I309 HydrophobicContact CD1-CG1 4.18Å; L303-I309 HydrophobicContact CD2-CD1 4.09Å; L303-I309 HydrophobicContact CD2-CG1 4.08Å | ||
| 304 | E | 93.5 | Very high | 94.5 | Very high | 178 Ų | 178 | 92.7 Ų | 92.7 | 83% | 0.832 | 44% | 0.443 | S | S | * | . | trans | -72.4 | -37.9 | 174.6 | -62.5 | -176.1 | 176.8 | 0 | 0 | 112.3 | E302 | E302-E304 PolarHBondContact O-N 3.08Å; E302-E304 VanDerWaalsContact O-N 3.12Å | ||
| 305 | D | 92.5 | Very high | 94.6 | Very high | 47 Ų | 47 | 91.1 Ų | 91.1 | 25% | 0.251 | 43% | 0.434 | S | S | . | . | trans | -121.1 | 128 | -174.5 | -164.8 | -27.7 | 0 | 0 | 0 | 112.2 | L303 R307 D308 | L303-D305 VanDerWaalsContact CD1-O 3.22Å; L303-D305 WeakPolarHBondContact CD1-O 3.38Å; D305-R307 PolarHBondContact O-N 3.36Å; D305-R307 VanDerWaalsContact OD1-CB 3.32Å; D305-R307 WeakPolarHBondContact OD1-CB 3.49Å; D305-R307 VanDerWaalsContact OD1-CG 3.27Å; D305-R307 WeakPolarHBondContact OD1-CG 3.21Å; D305-R307 PolarHBondContact OD1-N 3.32Å; D305-R307 IonicContact OD1-NE 2.71Å; D305-R307 PolarHBondContact OD1-NE 3.25Å; D305-R307 IonicContact OD2-CZ 3.76Å; D305-R307 IonicContact OD2-NE 3.61Å; D305-R307 PolarHBondContact OD2-NE 3.04Å; D305-R307 IonicContact OD2-NH2 2.87Å; D305-R307 PolarHBondContact OD2-NH2 3Å; D305-D308 PolarHBondContact O-N 3.04Å | ||
| 306 | V | 92.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 87 Ų | 87 | 15% | 0.152 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -67.9 | -15.2 | 177.2 | -63.3 | 0 | 0 | 0 | 0 | 114 | V260 L263 D308 I309 | V260-V306 WeakPolarHBondContact O-CB 3.49Å; V260-V306 WeakPolarHBondContact O-CG2 3.36Å; L263-V306 HydrophobicContact CD2-CG1 4.16Å; L263-V306 HydrophobicContact CG-CG1 3.93Å; V306-D308 PolarHBondContact O-N 2.97Å; V306-I309 HydrophobicContact CB-CD1 3.95Å; V306-I309 HydrophobicContact CG1-CD1 4.16Å; V306-I309 VanDerWaalsContact O-CB 3.31Å; V306-I309 WeakPolarHBondContact O-CB 3.3Å; V306-I309 VanDerWaalsContact O-CG1 3.3Å; V306-I309 WeakPolarHBondContact O-CG1 3.49Å; V306-I309 PolarHBondContact O-N 3.32Å; V306-I309 VanDerWaalsContact O-N 3.15Å |
| 307 | R | 91.9 | Very high | 94.9 | Very high | 202 Ų | 202 | 82.8 Ų | 82.8 | 76% | 0.762 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -66.5 | -18.2 | 175.2 | -65.4 | -179.1 | -65.1 | 165.4 | 3.6 | 113.1 | D305 I309 | D305-R307 PolarHBondContact O-N 3.36Å; D305-R307 VanDerWaalsContact OD1-CB 3.32Å; D305-R307 WeakPolarHBondContact OD1-CB 3.49Å; D305-R307 VanDerWaalsContact OD1-CG 3.27Å; D305-R307 WeakPolarHBondContact OD1-CG 3.21Å; D305-R307 PolarHBondContact OD1-N 3.32Å; D305-R307 IonicContact OD1-NE 2.71Å; D305-R307 PolarHBondContact OD1-NE 3.25Å; D305-R307 IonicContact OD2-CZ 3.76Å; D305-R307 IonicContact OD2-NE 3.61Å; D305-R307 PolarHBondContact OD2-NE 3.04Å; D305-R307 IonicContact OD2-NH2 2.87Å; D305-R307 PolarHBondContact OD2-NH2 3Å; R307-I309 PolarHBondContact O-N 3.4Å |
| 308 | D | 92.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 79.8 Ų | 79.8 | 32% | 0.321 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -77 | -10.4 | 174.7 | -65 | -19.1 | 0 | 0 | 0 | 112.8 | I292 Y301 L303 D305 V306 Q310 | I292-D308 HydrophobicContact CD1-CB 4.33Å; I292-D308 WeakPolarHBondContact CD1-O 3.48Å; Y301-D308 PolarHBondContact OH-OD2 3.08Å; L303-D308 HydrophobicContact CD1-CB 4.07Å; D305-D308 PolarHBondContact O-N 3.04Å; V306-D308 PolarHBondContact O-N 2.97Å; D308-Q310 PolarHBondContact O-N 2.98Å |
| 309 | I | 92.6 | Very high | 94.7 | Very high | 28 Ų | 28 | 78.3 Ų | 78.3 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | trans | -77.4 | 106.7 | 178.6 | -54 | 170.8 | 0 | 0 | 0 | 109.9 | L243 V260 L266 L303 V306 R307 | L243-I309 HydrophobicContact CD1-CG2 3.79Å; L243-I309 HydrophobicContact CD2-CG2 3.77Å; L243-I309 HydrophobicContact CG-CG2 4.41Å; V260-I309 HydrophobicContact CB-CD1 3.94Å; V260-I309 HydrophobicContact CG1-CD1 3.77Å; V260-I309 HydrophobicContact CG2-CG2 4.48Å; L266-I309 HydrophobicContact CD1-CD1 4.45Å; L266-I309 HydrophobicContact CD2-CD1 4.06Å; L303-I309 HydrophobicContact CD1-CG1 4.18Å; L303-I309 HydrophobicContact CD2-CD1 4.09Å; L303-I309 HydrophobicContact CD2-CG1 4.08Å; V306-I309 HydrophobicContact CB-CD1 3.95Å; V306-I309 HydrophobicContact CG1-CD1 4.16Å; V306-I309 VanDerWaalsContact O-CB 3.31Å; V306-I309 WeakPolarHBondContact O-CB 3.3Å; V306-I309 VanDerWaalsContact O-CG1 3.3Å; V306-I309 WeakPolarHBondContact O-CG1 3.49Å; V306-I309 PolarHBondContact O-N 3.32Å; V306-I309 VanDerWaalsContact O-N 3.15Å; R307-I309 PolarHBondContact O-N 3.4Å | ||
| 310 | Q | 91.9 | Very high | 94.2 | Very high | 139 Ų | 139 | 80.6 Ų | 80.6 | 65% | 0.65 | 36% | 0.357 | S | S | * | . | trans | -111.8 | 179.2 | -178.9 | -59.4 | -173.8 | 35 | 0 | 0 | 111.9 | L243 D308 R312 S313 | L243-Q310 WeakPolarHBondContact CD2-O 3.47Å; D308-Q310 PolarHBondContact O-N 2.98Å; Q310-R312 PolarHBondContact O-N 3.09Å; Q310-S313 PolarHBondContact N-OG 3.29Å; Q310-S313 PolarHBondContact O-N 3.4Å; Q310-S313 PolarHBondContact O-OG 3.45Å | ||
| 311 | D | 91.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 82.6 Ų | 82.6 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 136.7 | 168.8 | -174.9 | 45.2 | 0 | 0 | 0 | 109.8 | G241 V242 S313 | G241-D311 WeakPolarHBondContact CA-OD1 3.39Å; V242-D311 PolarHBondContact N-OD1 3.48Å; D311-S313 PolarHBondContact O-N 3.37Å |
| 312 | R | 93 | Very high | 91.1 | Very high | 173 Ų | 173 | 80.6 Ų | 80.6 | 65% | 0.653 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 8.1 | -179 | -56.8 | 148 | -166.7 | -116.4 | -2.1 | 115.9 | V242 F244 Q310 I314 | V242-R312 WeakPolarHBondContact O-CA 3.43Å; V242-R312 PolarHBondContact O-N 3.16Å; F244-R312 HydrophobicContact CE2-CB 4.13Å; F244-R312 HydrophobicContact CE2-CG 4.3Å; Q310-R312 PolarHBondContact O-N 3.09Å; R312-I314 PolarHBondContact O-N 2.9Å |
| 313 | S | 95 | Very high | 89.1 | Confident | 17 Ų | 17 | 82.9 Ų | 82.9 | 12% | 0.119 | 38% | 0.38 | C | S | . | . | trans | -52.6 | 132 | 174.2 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | F244 Q310 D311 | F244-S313 PolarHBondContact N-O 3.16Å; F244-S313 VanDerWaalsContact N-O 3.14Å; Q310-S313 PolarHBondContact N-OG 3.29Å; Q310-S313 PolarHBondContact O-N 3.4Å; Q310-S313 PolarHBondContact O-OG 3.45Å; D311-S313 PolarHBondContact O-N 3.37Å | ||
| 314 | I | 96.8 | Very high | 86.9 | Confident | 63 Ų | 63 | 93.6 Ų | 93.6 | 32% | 0.323 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.5 | 177.8 | -55.4 | 175.9 | 0 | 0 | 0 | 107.7 | F244 K293 F300 R312 | F244-I314 HydrophobicContact CB-CG1 4.28Å; F244-I314 HydrophobicContact CD2-CG1 4.48Å; K293-I314 HydrophobicContact CB-CB 4.13Å; K293-I314 HydrophobicContact CD-CD1 4.26Å; K293-I314 PolarHBondContact N-O 3.48Å; F300-I314 HydrophobicContact CE1-CG2 4.18Å; F300-I314 HydrophobicContact CZ-CG2 4.15Å; R312-I314 PolarHBondContact O-N 2.9Å |
| 315 | I | 97.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119.7 | -177.7 | -58.6 | 178.8 | 0 | 0 | 0 | 108.9 | L243 F244 L245 Q246 L266 I290 L291 I292 I317 | L243-I315 HydrophobicContact CD1-CD1 4.1Å; F244-I315 PolarHBondContact O-N 3.34Å; L245-I315 CarbonylContact C-O 3.47Å; L245-I315 WeakPolarHBondContact CA-O 3.28Å; L245-I315 HydrophobicContact CD2-CB 4.12Å; L245-I315 HydrophobicContact CD2-CD1 4.34Å; Q246-I315 PolarHBondContact N-O 3.18Å; L266-I315 HydrophobicContact CD1-CD1 4.18Å; I290-I315 HydrophobicContact CG2-CG2 3.52Å; L291-I315 CarbonylContact O-C 3.54Å; L291-I315 VanDerWaalsContact O-CA 3.28Å; L291-I315 WeakPolarHBondContact O-CA 3.36Å; I292-I315 HydrophobicContact CG1-CG1 4.45Å; I315-I317 HydrophobicContact CG2-CD1 4.45Å |
| 316 | K | 97.6 | Very high | 82.1 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 31% | 0.309 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.6 | 170.9 | -80.9 | 177.6 | 179.3 | 169.6 | 0 | 109.8 | Q246 L291 F300 | Q246-K316 HydrophobicContact CB-CG 4.08Å; Q246-K316 HydrophobicContact CG-CG 4.39Å; Q246-K316 WeakPolarHBondContact O-CA 3.45Å; L291-K316 HydrophobicContact CB-CB 4.27Å; L291-K316 PolarHBondContact N-O 2.95Å; L291-K316 PolarHBondContact O-N 2.92Å; F300-K316 HydrophobicContact CD1-CB 4.29Å; F300-K316 HydrophobicContact CD1-CD 3.88Å; F300-K316 HydrophobicContact CD1-CG 4.2Å; F300-K316 HydrophobicContact CD2-CD 4.43Å; F300-K316 HydrophobicContact CE1-CB 4.18Å; F300-K316 HydrophobicContact CE1-CD 3.55Å; F300-K316 HydrophobicContact CE1-CG 3.68Å; F300-K316 HydrophobicContact CE2-CD 4.15Å; F300-K316 HydrophobicContact CG-CD 4.31Å; F300-K316 HydrophobicContact CZ-CD 3.7Å; F300-K316 VanDerWaalsContact CZ-CE 3.48Å; F300-K316 HydrophobicContact CZ-CG 4.16Å |
| 317 | I | 97.3 | Very high | 79.4 | Confident | 7 Ų | 7 | 95.9 Ų | 95.9 | 4% | 0.036 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116 | 170.7 | -57.3 | 84.3 | 0 | 0 | 0 | 107.1 | L245 Q246 F247 I270 F274 L278 L283 T288 I315 | L245-I317 HydrophobicContact CB-CD1 4.28Å; Q246-I317 WeakPolarHBondContact O-CD1 3.35Å; Q246-I317 PolarHBondContact O-N 2.96Å; F247-I317 HydrophobicContact CD2-CB 4.02Å; F247-I317 HydrophobicContact CD2-CG2 4.01Å; F247-I317 WeakPolarHBondContact CD2-O 3.46Å; I270-I317 HydrophobicContact CD1-CD1 4.25Å; I270-I317 HydrophobicContact CD1-CG1 3.92Å; I270-I317 HydrophobicContact CG1-CD1 4.39Å; I270-I317 HydrophobicContact CG1-CG1 4.45Å; I270-I317 HydrophobicContact CG2-CD1 4.21Å; I270-I317 HydrophobicContact CG2-CG1 3.94Å; F274-I317 HydrophobicContact CE2-CD1 4.46Å; L278-I317 HydrophobicContact CD1-CB 4.38Å; L278-I317 HydrophobicContact CD1-CG2 3.95Å; L278-I317 HydrophobicContact CD2-CG2 4.45Å; L283-I317 HydrophobicContact CD2-CG2 4.2Å; T288-I317 HydrophobicContact CG2-CG2 3.68Å; I315-I317 HydrophobicContact CG2-CD1 4.45Å |
| 318 | Y | 96 | Very high | 77.3 | Confident | 136 Ų | 136 | 92.3 Ų | 92.3 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.3 | 174 | 177.1 | -102.5 | 0 | 0 | 0 | 109.6 | T288 A289 K320 | T288-Y318 CarbonylContact C-O 3.6Å; T288-Y318 WeakPolarHBondContact CA-O 3.39Å; A289-Y318 PolarHBondContact N-O 3.33Å; A289-Y318 PolarHBondContact O-N 3.32Å; Y318-K320 HydrophobicContact CE1-CB 3.91Å |
| 319 | R | 92.6 | Very high | 75.3 | Confident | 73 Ų | 73 | 92.2 Ų | 92.2 | 28% | 0.275 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.1 | 170.7 | -171.2 | -178.7 | -177.8 | -129.9 | 6.9 | 108.6 | F247 N287 E321 | F247-R319 HydrophobicContact CE2-CB 4.26Å; N287-R319 CarbonylContact O-C 3.54Å; N287-R319 WeakPolarHBondContact O-CA 3.27Å; R319-E321 IonicContact CZ-OE1 2.86Å; R319-E321 IonicContact CZ-OE2 3.23Å; R319-E321 IonicContact NH1-OE1 2.65Å; R319-E321 PolarHBondContact NH1-OE1 3.44Å; R319-E321 IonicContact NH1-OE2 2.76Å; R319-E321 PolarHBondContact NH1-OE2 3.41Å; R319-E321 PolarHBondContact O-N 3.37Å; R319-E321 VanDerWaalsContact O-N 3.16Å |
| 320 | K | 86.4 | Confident | 72.8 | Confident | 136 Ų | 136 | 95.5 Ų | 95.5 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | trans | -72.8 | 101.4 | 167.2 | -171.4 | 177.4 | -176.7 | 178.2 | 0 | 107.2 | N287 Y318 P322 | N287-K320 PolarHBondContact O-N 2.86Å; Y318-K320 HydrophobicContact CE1-CB 3.91Å; K320-P322 WeakPolarHBondContact O-CD 3.43Å | ||
| 321 | E | 73.4 | Confident | 70.5 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | trans | -60 | 122.5 | -177.7 | -157.4 | 60.9 | -142 | 0 | 0 | 109.7 | R319 L323 | R319-E321 IonicContact CZ-OE1 2.86Å; R319-E321 IonicContact CZ-OE2 3.23Å; R319-E321 IonicContact NH1-OE1 2.65Å; R319-E321 PolarHBondContact NH1-OE1 3.44Å; R319-E321 IonicContact NH1-OE2 2.76Å; R319-E321 PolarHBondContact NH1-OE2 3.41Å; R319-E321 PolarHBondContact O-N 3.37Å; R319-E321 VanDerWaalsContact O-N 3.16Å; E321-L323 PolarHBondContact O-N 3.48Å | ||
| 322 | P | 56.9 | Low | 68.5 | Low | 44 Ų | 44 | 97.5 Ų | 97.5 | 29% | 0.286 | 50% | 0.504 | S | S | . | . | trans | -71.3 | 102.4 | 175 | 27.4 | -30.7 | 0 | 0 | 0 | 108 | K320 Y324 A325 | K320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-Y324 PolarHBondContact O-N 2.88Å; P322-A325 HydrophobicContact CB-CB 4.41Å; P322-A325 HydrophobicContact CG-CB 3.91Å; P322-A325 PolarHBondContact O-N 2.65Å | ||
| 323 | L | 52.8 | Low | 66.2 | Low | 161 Ų | 161 | 93.7 Ų | 93.7 | 84% | 0.843 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 9.8 | -167.9 | -65.2 | 171.4 | 0 | 0 | 0 | 117.1 | E321 | E321-L323 PolarHBondContact O-N 3.48Š|
| 324 | Y | 50.2 | Low | 63.9 | Low | 234 Ų | 234 | 101.1 Ų | 101.1 | 92% | 0.918 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.5 | -0.9 | 178.7 | -80.9 | -85.9 | 0 | 0 | 0 | 114.1 | P322 A326 | P322-Y324 PolarHBondContact O-N 2.88Å; Y324-A326 PolarHBondContact O-N 2.88Å |
| 325 | A | 45.5 | Very low | 61.7 | Low | 62 Ų | 62 | 101 Ų | 101 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -93.8 | 99.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P322 | P322-A325 HydrophobicContact CB-CB 4.41Å; P322-A325 HydrophobicContact CG-CB 3.91Å; P322-A325 PolarHBondContact O-N 2.65Å |
| 326 | A | 40.2 | Very low | 59.6 | Low | 86 Ų | 86 | 105.3 Ų | 105.3 | 71% | 0.711 | 58% | 0.576 | S | S | * | * | trans | 64.5 | 84.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | Y324 | Y324-A326 PolarHBondContact O-N 2.88Š| ||
| 327 | F | 36.1 | Very low | 57.5 | Low | 151 Ų | 151 | 107.6 Ų | 107.6 | 66% | 0.662 | 59% | 0.591 | S | S | * | * | -66.1 | 130.2 | 125.4 | -70.8 | -73.4 | 0 | 0 | 0 | 107.9 | H331 | F327-H331 HydrophobicContact CE1-CB 3.76Å; F327-H331 HydrophobicContact CZ-CB 3.9Å | |||
| 328 | P | 48.6 | Very low | 55.6 | Low | 126 Ų | 126 | 117.5 Ų | 117.5 | 82% | 0.818 | 63% | 0.628 | S | S | * | * | S | Bend | -121.4 | 105 | 112.7 | 33.1 | -31 | 0 | 0 | 0 | 111.2 | |||
| 329 | G | 49.5 | Very low | 53.8 | Low | 58 Ų | 58 | 120.4 Ų | 120.4 | 60% | 0.598 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 96.7 | 156.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 330 | S | 40.5 | Very low | 51.8 | Low | 97 Ų | 97 | 124.6 Ų | 124.6 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | trans | 65.1 | 44.7 | 172.5 | -162.2 | 0 | 0 | 0 | 0 | 118.4 | L332 | S330-L332 VanDerWaalsContact C-N 3.25Å; S330-L332 PolarHBondContact O-N 3.4Å | ||
| 331 | H | 43.5 | Very low | 50.4 | Low | 123 Ų | 123 | 125.5 Ų | 125.5 | 57% | 0.569 | 67% | 0.668 | S | S | * | * | trans | -78.1 | 83.4 | 141.9 | -179.8 | -84.5 | 0 | 0 | 0 | 108.8 | F327 T333 | F327-H331 HydrophobicContact CE1-CB 3.76Å; F327-H331 HydrophobicContact CZ-CB 3.9Å; H331-T333 PolarHBondContact CE1-O 3.47Å; H331-T333 PolarHBondContact CE1-OG1 3.26Å; H331-T333 PolarHBondContact NE2-OG1 3.38Å | ||
| 332 | L | 48.4 | Very low | 49.6 | Very low | 129 Ų | 129 | 126 Ų | 126 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | trans | -106.7 | 44.3 | 173.6 | -66.4 | -178.5 | 0 | 0 | 0 | 111.7 | S330 L337 | S330-L332 VanDerWaalsContact C-N 3.25Å; S330-L332 PolarHBondContact O-N 3.4Å; L332-L337 HydrophobicContact CD2-CD1 4.38Å | ||
| 333 | T | 45 | Very low | 49 | Very low | 92 Ų | 92 | 134 Ų | 134 | 56% | 0.564 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -109.5 | 102.8 | 169.6 | 58.4 | 0 | 0 | 0 | 0 | 110.3 | H331 | H331-T333 PolarHBondContact CE1-O 3.47Å; H331-T333 PolarHBondContact CE1-OG1 3.26Å; H331-T333 PolarHBondContact NE2-OG1 3.38Å |
| 334 | N | 47.1 | Very low | 48.5 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 93% | 0.93 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 55.2 | 73.5 | 166 | -58.9 | -23.4 | 0 | 0 | 0 | 117 | ||
| 335 | G | 51.1 | Low | 48.2 | Very low | 61 Ų | 61 | 123.9 Ų | 123.9 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -167.2 | 92.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L337 | G335-L337 PolarHBondContact O-N 2.97Š|
| 336 | D | 51.9 | Low | 48.4 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 48% | 0.481 | 70% | 0.702 | S | S | . | * | trans | 25.5 | 80.1 | 160.8 | -169.3 | 25 | 0 | 0 | 0 | 118.5 | R338 R339 | D336-R338 PolarHBondContact O-N 3.19Å; D336-R338 VanDerWaalsContact OD1-CB 3.23Å; D336-R338 WeakPolarHBondContact OD1-CB 3.4Å; D336-R338 WeakPolarHBondContact OD1-CD 3.47Å; D336-R338 WeakPolarHBondContact OD1-CG 3.37Å; D336-R338 PolarHBondContact OD1-N 2.84Å; D336-R339 IonicContact OD2-NH1 2.87Å; D336-R339 PolarHBondContact OD2-NH1 2.99Å | ||
| 337 | L | 54.4 | Low | 48.5 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 62% | 0.618 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -3.4 | 174.8 | -92.9 | 69.1 | 0 | 0 | 0 | 114.9 | L332 G335 R339 | L332-L337 HydrophobicContact CD2-CD1 4.38Å; G335-L337 PolarHBondContact O-N 2.97Å; L337-R339 VanDerWaalsContact C-N 3.28Å; L337-R339 PolarHBondContact O-N 2.69Å |
| 338 | R | 57.5 | Low | 48.9 | Very low | 216 Ų | 216 | 133.6 Ų | 133.6 | 82% | 0.815 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -4.2 | -168 | -54.4 | 179.8 | 74.9 | 178.2 | 4.1 | 114.6 | D336 | D336-R338 PolarHBondContact O-N 3.19Å; D336-R338 VanDerWaalsContact OD1-CB 3.23Å; D336-R338 WeakPolarHBondContact OD1-CB 3.4Å; D336-R338 WeakPolarHBondContact OD1-CD 3.47Å; D336-R338 WeakPolarHBondContact OD1-CG 3.37Å; D336-R338 PolarHBondContact OD1-N 2.84Å |
| 339 | R | 58.5 | Low | 48 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -30.2 | -178.7 | -75 | -177.8 | 166.3 | 96.1 | -8.1 | 115.5 | D336 L337 | D336-R339 IonicContact OD2-NH1 2.87Å; D336-R339 PolarHBondContact OD2-NH1 2.99Å; L337-R339 VanDerWaalsContact C-N 3.28Å; L337-R339 PolarHBondContact O-N 2.69Å |
| 340 | E | 50.5 | Low | 47.8 | Very low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -70 | -34.6 | -178.5 | -85.4 | -76.7 | 97.9 | 0 | 0 | 113.4 | V342 Y343 | E340-V342 PolarHBondContact O-N 2.87Å; E340-V342 VanDerWaalsContact O-N 3.08Å; E340-Y343 PolarHBondContact O-N 2.75Å |
| 341 | M | 56.6 | Low | 47.4 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -69.9 | -9.8 | -171.3 | -156.4 | 172.3 | -69.5 | 0 | 0 | 114.4 | ||
| 342 | V | 57.4 | Low | 47.2 | Very low | 112 Ų | 112 | 142 Ų | 142 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -84.6 | -27.4 | -177.7 | 180 | 0 | 0 | 0 | 0 | 112.7 | E340 | E340-V342 PolarHBondContact O-N 2.87Å; E340-V342 VanDerWaalsContact O-N 3.08Å |
| 343 | Y | 44.1 | Very low | 46.7 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -23.6 | -174.4 | -100.8 | -91.3 | 0 | 0 | 0 | 115.1 | E340 S345 | E340-Y343 PolarHBondContact O-N 2.75Å; Y343-S345 PolarHBondContact O-N 2.86Å |
| 344 | A | 41.3 | Very low | 46.6 | Very low | 81 Ų | 81 | 149.8 Ų | 149.8 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -12.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 345 | S | 45.2 | Very low | 45.9 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -4.9 | -164.1 | -167 | 0 | 0 | 0 | 0 | 116.3 | Y343 | Y343-S345 PolarHBondContact O-N 2.86Š|
| 346 | R | 48.8 | Very low | 45.3 | Very low | 225 Ų | 225 | 152.4 Ų | 152.4 | 85% | 0.849 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -95.9 | -23.9 | -168 | -148.8 | 178.8 | -171.6 | -160.6 | 0.1 | 116.1 | ||
| 347 | E | 43.6 | Very low | 44.5 | Very low | 183 Ų | 183 | 155.6 Ų | 155.6 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -115.1 | 26.6 | -162.3 | -141.7 | 60.9 | -126.9 | 0 | 0 | 114.9 | ||
| 348 | S | 43.4 | Very low | 43.5 | Very low | 95 Ų | 95 | 155.3 Ų | 155.3 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | -129.7 | 67.4 | -179.5 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 349 | S | 29.7 | Very low | 43.2 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -125 | 101.8 | 170.3 | -77.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 350 | P | 45 | Very low | 41.9 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | trans | -87.5 | 119.6 | 179.5 | 32.2 | -31.4 | 0 | 0 | 0 | 111.9 | ||||
| 351 | T | 31.8 | Very low | 42.2 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | 166.6 | 155.2 | 127.9 | 36.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 352 | R | 39.8 | Very low | 41.1 | Very low | 214 Ų | 214 | 144.8 Ų | 144.8 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | 77.3 | 99.1 | 147.7 | -85.8 | -174.6 | 176.3 | -123 | -4.6 | 121.6 | ||||
| 353 | R | 38.9 | Very low | 40 | Very low | 215 Ų | 215 | 147.1 Ų | 147.1 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | 99 | 115.4 | 129.4 | -59.5 | -175.6 | 99.1 | -174 | 4.7 | 119.1 | |||||
| 354 | L | 42.2 | Very low | 39.5 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | 33 | 119.8 | 130.8 | -132.6 | 82.1 | 0 | 0 | 0 | 118.4 | ||||
| 355 | N | 32 | Very low | 39 | Very low | 153 Ų | 153 | 144 Ų | 144 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -149.5 | 127.6 | 156 | -159.7 | 27.8 | 0 | 0 | 0 | 112.5 | ||||
| 356 | N | 38.7 | Very low | 38.4 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -137.2 | 154.1 | 171.9 | -82.8 | 61.8 | 0 | 0 | 0 | 108 | ||||
| 357 | L | 35.7 | Very low | 37.7 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 85.8 | 97.8 | 171.8 | -50.8 | 172.4 | 0 | 0 | 0 | 118.2 | ||||
| 358 | S | 32.5 | Very low | 38.1 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | 74.1 | 163.7 | 119 | -59.2 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 359 | P | 52 | Low | 39 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -132.9 | 170.4 | -137.7 | 42.1 | -26.9 | 0 | 0 | 0 | 119.7 | ||||
| 360 | A | 31.3 | Very low | 40 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 77.6 | -177.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 361 | P | 55.7 | Low | 39.3 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | -134.7 | 165.1 | -85.1 | 41.2 | -25.9 | 0 | 0 | 0 | 116.4 | |||||
| 362 | H | 33.3 | Very low | 39.5 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | trans | 179.7 | 168.3 | 161.8 | 45.2 | -87.3 | 0 | 0 | 0 | 108.9 | ||||
| 363 | L | 34.4 | Very low | 40 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | cis | 168.5 | 140.7 | -38.4 | -106.4 | 170.3 | 0 | 0 | 0 | 105.4 | ||||
| 364 | A | 33.8 | Very low | 39.7 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 63 | 159 | 175 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 365 | S | 32.3 | Very low | 39.2 | Very low | 128 Ų | 128 | 122 Ų | 122 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | cis | -153 | 164.9 | -10.7 | -152.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 366 | G | 31.5 | Very low | 39.4 | Very low | 64 Ų | 64 | 122.9 Ų | 122.9 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | cis | -171.2 | -169.3 | 6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 367 | S | 34.1 | Very low | 39.8 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -107.5 | -169.8 | -160.1 | -56.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 368 | P | 52 | Low | 39.7 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | -130 | -145.4 | -67.5 | 45.5 | -28.3 | 0 | 0 | 0 | 111.9 | |||||
| 369 | P | 62.8 | Low | 39.7 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -102.4 | -172.9 | -161.6 | 47.2 | -44 | 0 | 0 | 0 | 114.9 | ||||
| 370 | P | 49.3 | Very low | 38.8 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | -149.5 | 178.9 | 80.8 | 40.1 | -21 | 0 | 0 | 0 | 116 | |||||
| 371 | G | 31.9 | Very low | 38.9 | Very low | 71 Ų | 71 | 124.9 Ų | 124.9 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 166.8 | 112 | 166 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 372 | L | 36 | Very low | 37.7 | Very low | 172 Ų | 172 | 125.5 Ų | 125.5 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -153.6 | 168.9 | 173.4 | -78.4 | -179.1 | 0 | 0 | 0 | 107.9 | ||||
| 373 | P | 49.3 | Very low | 37.6 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | -133.1 | -168.5 | -9.8 | 37.4 | -17.7 | 0 | 0 | 0 | 114.5 | ||||
| 374 | S | 33.3 | Very low | 37.6 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | 75.3 | 128.4 | 147.2 | -64.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 375 | G | 31.6 | Very low | 38 | Very low | 79 Ų | 79 | 118.8 Ų | 118.8 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | 177.5 | 95.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 376 | L | 36.3 | Very low | 38 | Very low | 172 Ų | 172 | 117.9 Ų | 117.9 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -112.9 | 171.4 | 157.8 | -116.5 | 84.1 | 0 | 0 | 0 | 107.2 | ||||
| 377 | P | 47.3 | Very low | 38 | Very low | 101 Ų | 101 | 127 Ų | 127 | 66% | 0.656 | 81% | 0.812 | S | S | * | * | cis | -136.7 | -174.9 | 17 | 43.4 | -26.1 | 0 | 0 | 0 | 115.8 | ||||
| 378 | S | 33.9 | Very low | 38 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 66.5 | 148.9 | 157.6 | -56.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 379 | G | 31.7 | Very low | 37.5 | Very low | 66 Ų | 66 | 131.2 Ų | 131.2 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | cis | 156.3 | 134.8 | -12.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 380 | L | 33.3 | Very low | 36.2 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | 179.3 | 136.7 | 142.3 | -101.1 | 163.3 | 0 | 0 | 0 | 110.9 | ||||
| 381 | Q | 32.3 | Very low | 35.3 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -120.2 | 137.4 | 164.9 | -77.9 | -174.2 | -7.3 | 0 | 0 | 109.1 | ||||
| 382 | S | 31.3 | Very low | 35.4 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -162 | 130.9 | 159.5 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 383 | G | 30.7 | Very low | 35.3 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | -158 | 165.3 | -5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 384 | S | 34.6 | Very low | 34.6 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -81.2 | 164.3 | 175.2 | -160.5 | 0 | 0 | 0 | 0 | 110.7 | S386 | S384-S386 PolarHBondContact OG-N 3.26Š| ||
| 385 | P | 42.3 | Very low | 34.6 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | -143.7 | 138.8 | 90.2 | 36.4 | -21.1 | 0 | 0 | 0 | 115.6 | |||||
| 386 | S | 32.3 | Very low | 35.1 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -99.8 | 133.4 | 159.6 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | S384 | S384-S386 PolarHBondContact OG-N 3.26Š| ||
| 387 | R | 32.1 | Very low | 35.8 | Very low | 254 Ų | 254 | 135.6 Ų | 135.6 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -164.5 | 136.2 | 144.7 | -118.6 | 173.8 | 179.1 | -167.6 | -1.5 | 113.8 | ||||
| 388 | S | 33.8 | Very low | 36 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -106.8 | 157.4 | 176.9 | 15.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 389 | R | 41.3 | Very low | 36.1 | Very low | 220 Ų | 220 | 136.9 Ų | 136.9 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -163 | 125 | 147.7 | -102.1 | -148.8 | 156 | -152.7 | -6 | 112.7 | ||||
| 390 | L | 35.6 | Very low | 36.3 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 68% | 0.681 | 82% | 0.82 | S | S | * | * | trans | 42.4 | 153.6 | 140.3 | -74.1 | 89.1 | 0 | 0 | 0 | 121.3 | ||||
| 391 | S | 31.2 | Very low | 36.3 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 59% | 0.594 | 81% | 0.809 | S | S | * | * | cis | -177.8 | 176.3 | -18.4 | -95.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 392 | Y | 33.4 | Very low | 36 | Very low | 232 Ų | 232 | 134.9 Ų | 134.9 | 91% | 0.91 | 81% | 0.805 | S | S | * | * | trans | 74.8 | 143.8 | 171.1 | -73.1 | -85.6 | 0 | 0 | 0 | 116.1 | ||||
| 393 | A | 34.7 | Very low | 36.2 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | cis | -150.1 | 152.6 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 394 | G | 34.1 | Very low | 37.4 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | 78.6 | 145.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 395 | G | 32.3 | Very low | 37.4 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | cis | 172.5 | 80.5 | -6.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 396 | R | 41.9 | Very low | 37 | Very low | 245 Ų | 245 | 137.5 Ų | 137.5 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | 62.3 | 147.1 | 166.1 | -71.4 | -174 | 170.8 | -165.2 | -2.6 | 119.6 | ||||
| 397 | P | 51.5 | Low | 37.1 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -90.4 | 162 | 158.3 | 38 | -33.4 | 0 | 0 | 0 | 111.8 | ||||
| 398 | P | 51.5 | Low | 36.9 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -110.3 | 117.1 | 168.8 | 34.9 | -24.5 | 0 | 0 | 0 | 112.9 | ||||
| 399 | S | 37.2 | Very low | 36.8 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -159.1 | 87.9 | 160.7 | -95.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 400 | Y | 35.5 | Very low | 36.5 | Very low | 232 Ų | 232 | 129 Ų | 129 | 91% | 0.91 | 78% | 0.778 | S | S | * | * | trans | -162.9 | 171.9 | 139.2 | -145.4 | -109.3 | 0 | 0 | 0 | 112.8 | ||||
| 401 | A | 32.3 | Very low | 36.4 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | trans | -80.5 | 167.7 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 402 | G | 27.1 | Very low | 36.7 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -132.2 | 140 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 403 | S | 35.3 | Very low | 36.5 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -167.5 | 169.7 | -178.2 | -146.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 404 | P | 56.6 | Low | 36.3 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | -143.5 | -158.9 | 10.4 | 38.6 | -15.1 | 0 | 0 | 0 | 115.1 | ||||
| 405 | V | 33.6 | Very low | 36.8 | Very low | 107 Ų | 107 | 128 Ų | 128 | 65% | 0.648 | 79% | 0.787 | S | S | * | * | trans | 118.6 | 124.6 | 130.1 | 124.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 406 | H | 33.2 | Very low | 37.6 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 52.2 | 146.8 | 160.3 | -57 | -42.7 | 0 | 0 | 0 | 120.4 | ||||
| 407 | H | 35 | Very low | 37.3 | Very low | 192 Ų | 192 | 123 Ų | 123 | 89% | 0.889 | 78% | 0.78 | S | S | * | * | cis | -115.8 | -177.3 | 20.6 | -86 | -107.6 | 0 | 0 | 0 | 115.3 | ||||
| 408 | A | 28.6 | Very low | 36.6 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -144.7 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 409 | A | 31.9 | Very low | 35.8 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | 77.6 | 144.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 410 | E | 33.8 | Very low | 35.8 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | cis | -165.4 | -179.5 | -4.1 | -131.3 | -114.7 | 81.5 | 0 | 0 | 112.8 | ||||
| 411 | R | 34.2 | Very low | 35.7 | Very low | 179 Ų | 179 | 118.2 Ų | 118.2 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | 76.2 | 99.5 | 165.1 | -60 | -71 | 141 | 148.3 | -0.4 | 122.4 | ||||
| 412 | L | 36.8 | Very low | 36.1 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | 62.9 | 132.8 | 127.1 | -58.8 | 169.9 | 0 | 0 | 0 | 121.9 | |||||
| 413 | G | 30.3 | Very low | 37 | Very low | 84 Ų | 84 | 121.1 Ų | 121.1 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -162.7 | -28.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 414 | G | 30 | Very low | 36.8 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 90.5 | 122.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 415 | A | 43.9 | Very low | 36.2 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 79 | 146.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 416 | P | 50.5 | Low | 36.6 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -102.7 | -156.8 | -169.9 | 45.7 | -37.4 | 0 | 0 | 0 | 111.7 | ||||
| 417 | A | 35.2 | Very low | 37.1 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -165.1 | -178.8 | 15.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 418 | A | 36 | Very low | 37.9 | Very low | 81 Ų | 81 | 118 Ų | 118 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | cis | 175.9 | 137.9 | -40 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 419 | Q | 34.5 | Very low | 38.8 | Very low | 203 Ų | 203 | 121 Ų | 121 | 95% | 0.949 | 79% | 0.788 | S | S | * | * | trans | 60.6 | 164.7 | 170.8 | -62.7 | 174.1 | -38.2 | 0 | 0 | 115.6 | ||||
| 420 | G | 37 | Very low | 40 | Very low | 61 Ų | 61 | 124.2 Ų | 124.2 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | cis | 154.1 | 167.2 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 421 | V | 33.6 | Very low | 41.3 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | 78.3 | 152.9 | 174.6 | -168.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 422 | S | 41.8 | Very low | 42.2 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | trans | -103.3 | 175.2 | -175.7 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 423 | P | 44.4 | Very low | 43.4 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -113.1 | 124.8 | 157.5 | 34.4 | -24.3 | 0 | 0 | 0 | 112.7 | ||||
| 424 | S | 31.5 | Very low | 44.3 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -97.7 | 157.2 | 158.3 | -72.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 425 | P | 45.3 | Very low | 45.4 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -84.5 | 161.5 | -165.2 | 33.1 | -37.1 | 0 | 0 | 0 | 114.9 | ||
| 426 | S | 41.9 | Very low | 46.2 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 94.9 | 95.3 | 165.5 | -40.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 427 | A | 42.7 | Very low | 46.2 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -140.8 | 113.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 428 | I | 52.2 | Low | 47.3 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -108.1 | 120.5 | 176.7 | -64.5 | 171 | 0 | 0 | 0 | 107.5 | ||||
| 429 | L | 46.9 | Very low | 47.7 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -175 | 172.2 | 145.6 | -106.3 | 165.9 | 0 | 0 | 0 | 112.2 | ||||
| 430 | E | 57.5 | Low | 48.3 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | 61.3 | 76.1 | 163 | -71 | 178.7 | 74.9 | 0 | 0 | 119.8 | ||||
| 431 | R | 60.6 | Low | 48.2 | Very low | 241 Ų | 241 | 149 Ų | 149 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | 25.3 | 106.8 | 115 | -63.4 | 176.5 | 171.2 | -173.2 | -4.1 | 117 | |||||
| 432 | R | 54.5 | Low | 48.4 | Very low | 237 Ų | 237 | 146.5 Ų | 146.5 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | -141.4 | 137.5 | 134.3 | -65.6 | -169.2 | -169.3 | 149.8 | 10.3 | 109.5 | ||||
| 433 | D | 60.3 | Low | 48.2 | Very low | 165 Ų | 165 | 152 Ų | 152 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -61.7 | 133.9 | 176.4 | -62.9 | -113.6 | 0 | 0 | 0 | 111.3 | ||||
| 434 | V | 49.7 | Very low | 47.8 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | trans | -112.9 | 108.9 | 166.7 | 177.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 435 | K | 54.4 | Low | 47.9 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 76% | 0.757 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 146.5 | 166 | -80.2 | -175.4 | 171.7 | -175 | 0 | 109.5 | ||
| 436 | P | 60.1 | Low | 47.3 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 129.8 | 152.5 | 32.3 | -29.4 | 0 | 0 | 0 | 108.9 | ||
| 437 | D | 51 | Low | 47 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 83% | 0.829 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 128.8 | 164.4 | -85 | -91.4 | 0 | 0 | 0 | 108.9 | ||
| 438 | E | 56.8 | Low | 46.9 | Very low | 186 Ų | 186 | 153 Ų | 153 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | trans | -111 | 120.8 | 170.6 | -70 | -170.2 | 94 | 0 | 0 | 108.7 | ||||
| 439 | D | 45.4 | Very low | 46.5 | Very low | 148 Ų | 148 | 152.7 Ų | 152.7 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | trans | -140 | 87 | 172.4 | -135.9 | -28.3 | 0 | 0 | 0 | 113.9 | ||||
| 440 | L | 47.9 | Very low | 46.4 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 76% | 0.764 | 84% | 0.841 | S | S | * | * | trans | 34.4 | 93.2 | 136.8 | -57.3 | 175.4 | 0 | 0 | 0 | 119.7 | ||||
| 441 | A | 34.8 | Very low | 45.2 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | trans | -91.4 | 116.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 442 | S | 36.3 | Very low | 44.1 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | trans | -104.6 | 155.4 | -170.2 | -73.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 443 | K | 37.1 | Very low | 43.2 | Very low | 210 Ų | 210 | 143.2 Ų | 143.2 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | trans | 85.8 | 100.5 | 142.5 | -165.6 | -177.4 | -173.4 | 177.4 | 0 | 120.1 | ||||
| 444 | A | 36.4 | Very low | 42.2 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -162 | 92.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 445 | G | 34.1 | Very low | 41.7 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | trans | 72.9 | 146.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 446 | G | 33 | Very low | 40.9 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | cis | -176.9 | 123.3 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 447 | M | 36 | Very low | 40.1 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 90% | 0.901 | 84% | 0.842 | S | S | * | * | trans | 25.8 | 112.7 | 156.7 | -63.5 | 169 | 62.8 | 0 | 0 | 120.8 | ||||
| 448 | V | 39.5 | Very low | 39.4 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | -132.8 | 149 | 136.6 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 449 | L | 43.5 | Very low | 39 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -84.4 | 152.1 | -172.3 | -62.3 | 145.5 | 0 | 0 | 0 | 112.7 | ||||
| 450 | V | 45.1 | Very low | 39 | Very low | 147 Ų | 147 | 139 Ų | 139 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | -168.1 | 149 | 114.1 | 143 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 451 | K | 33.7 | Very low | 38.8 | Very low | 188 Ų | 188 | 136 Ų | 136 | 82% | 0.817 | 83% | 0.828 | S | S | * | * | trans | -102.3 | 134.1 | -176.4 | 171.6 | -176.4 | 176.3 | 179.5 | 0 | 110.3 | ||||
| 452 | G | 37.3 | Very low | 39.8 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -174.7 | 101.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 453 | E | 35.7 | Very low | 39.8 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -89.9 | 158.2 | 177.6 | -64.2 | 168.5 | -173 | 0 | 0 | 110.7 | ||||
| 454 | G | 37.5 | Very low | 40 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | 146.7 | 57.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 455 | L | 39.8 | Very low | 39.9 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -134.1 | 100.3 | 163.1 | -77.2 | 176.3 | 0 | 0 | 0 | 110.2 | ||||
| 456 | Y | 38.4 | Very low | 40 | Very low | 212 Ų | 212 | 140.2 Ų | 140.2 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | 168.5 | 116.7 | 124.4 | -162 | -103.1 | 0 | 0 | 0 | 110.4 | |||||
| 457 | A | 41.9 | Very low | 40.2 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -150.9 | 142 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 458 | D | 36.7 | Very low | 40.7 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | trans | -84.2 | 156.7 | -159.4 | -142.3 | 34.3 | 0 | 0 | 0 | 113.3 | ||||
| 459 | P | 49.6 | Very low | 40.6 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 53% | 0.532 | 78% | 0.784 | S | S | . | * | S | Bend | trans | -80.4 | 173.7 | -179.6 | 32.2 | -30.2 | 0 | 0 | 0 | 113.1 | ||
| 460 | Y | 44.8 | Very low | 40.4 | Very low | 225 Ų | 225 | 142.6 Ų | 142.6 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | 75.4 | 41.9 | 175.7 | -51.6 | -74.4 | 0 | 0 | 0 | 117.5 | L462 | Y460-L462 PolarHBondContact O-N 3.33Š| ||
| 461 | G | 44.3 | Very low | 40.2 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -72.7 | 114.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 462 | L | 54.3 | Low | 40.3 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -87.5 | 175 | 175.4 | -152.3 | 73.1 | 0 | 0 | 0 | 111.1 | Y460 | Y460-L462 PolarHBondContact O-N 3.33Š| ||
| 463 | L | 37.8 | Very low | 40.3 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 80% | 0.801 | 82% | 0.821 | S | S | * | * | trans | 73.8 | 146.9 | 176.8 | -86.7 | 71.1 | 0 | 0 | 0 | 115 | ||||
| 464 | H | 39.8 | Very low | 40.6 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 73% | 0.731 | 82% | 0.819 | S | S | * | * | cis | -151.6 | 161.9 | -3.3 | 178.8 | 58 | 0 | 0 | 0 | 111.3 | ||||
| 465 | E | 34.3 | Very low | 40.7 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | trans | -28.1 | 147.8 | 169.8 | -177.6 | 172.8 | -123.5 | 0 | 0 | 118.9 | ||||
| 466 | G | 37 | Very low | 40.8 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | 169.7 | 68.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 467 | R | 37.3 | Very low | 40.9 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 45.1 | 123.7 | 141.1 | -55.7 | -170.2 | 83.4 | 168.2 | 7.9 | 122.2 | ||||
| 468 | L | 45.8 | Very low | 40.9 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | trans | 64.9 | 153.1 | 132.6 | -54.8 | 173.4 | 0 | 0 | 0 | 118.6 | ||||
| 469 | S | 37.1 | Very low | 41.2 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 61% | 0.608 | 82% | 0.823 | S | S | * | * | cis | -168.5 | 157.1 | -13.3 | -107.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 470 | L | 39.8 | Very low | 40.6 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 93% | 0.927 | 84% | 0.844 | S | S | * | * | trans | 64.5 | 165.6 | 154.9 | -68.9 | 164.5 | 0 | 0 | 0 | 118.5 | ||||
| 471 | A | 42 | Very low | 40.2 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 81% | 0.81 | 84% | 0.841 | S | S | * | * | trans | -127.5 | 147.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 472 | A | 35.6 | Very low | 39.9 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | -175.1 | 119.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 473 | A | 37.9 | Very low | 38.6 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 100% | 1.512 | 84% | 0.841 | S | S | * | * | trans | -178.4 | 0 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 473 of 473 residues in 189.3 ms
(Link to these results)