| 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 | 42.8 | Very low | 32.1 | Very low | 248 Ų | 248 | 158.5 Ų | 158.5 | 100% | 1.222 | 84% | 0.837 | S | S | * | * | 0 | 109.8 | 0 | -74.1 | -178.2 | 152 | 0 | 0 | 108.2 | |||||
| 2 | T | 32.2 | Very low | 31.5 | Very low | 144 Ų | 144 | 154 Ų | 154 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -80.7 | 128 | 174.5 | 15.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | S | 41.6 | Very low | 31.5 | Very low | 107 Ų | 107 | 160 Ų | 160 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | -161.7 | 105.1 | 163.8 | 172.1 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 4 | Q | 29.7 | Very low | 31 | Very low | 172 Ų | 172 | 160.5 Ų | 160.5 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | cis | 51.4 | 92.5 | 49.2 | -75.2 | -75.8 | -13.1 | 0 | 0 | 112.6 | ||||
| 5 | Q | 35 | Very low | 30.7 | Very low | 171 Ų | 171 | 160 Ų | 160 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | trans | 166.7 | 136.8 | 146.3 | -92.7 | 171.7 | 7.9 | 0 | 0 | 106.9 | ||||
| 6 | Q | 32.7 | Very low | 30.3 | Very low | 174 Ų | 174 | 161.7 Ų | 161.7 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | cis | -167.1 | 142.3 | -10.2 | -129.1 | 173.2 | -17.4 | 0 | 0 | 105.4 | ||||
| 7 | L | 23.9 | Very low | 30.2 | Very low | 167 Ų | 167 | 158.6 Ų | 158.6 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -66.8 | 159 | 169.1 | -75.7 | 151.9 | 0 | 0 | 0 | 111.3 | ||||
| 8 | P | 32 | Very low | 29.8 | Very low | 107 Ų | 107 | 158.2 Ų | 158.2 | 70% | 0.695 | 83% | 0.825 | S | S | * | * | -124.9 | 126.1 | 128.6 | 7.9 | 13.2 | 0 | 0 | 0 | 112.7 | |||||
| 9 | F | 28.6 | Very low | 29.8 | Very low | 193 Ų | 193 | 158.7 Ų | 158.7 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 64.3 | 91.2 | 145.2 | -60.9 | -73.2 | 0 | 0 | 0 | 120.4 | ||||
| 10 | S | 24.1 | Very low | 29.4 | Very low | 96 Ų | 96 | 159.2 Ų | 159.2 | 67% | 0.671 | 83% | 0.826 | S | S | * | * | trans | -61.1 | 129.3 | 144.7 | -171 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 11 | I | 30.5 | Very low | 29.2 | Very low | 165 Ų | 165 | 161.8 Ų | 161.8 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -132.9 | 90.7 | 141.9 | -59.4 | -178.5 | 0 | 0 | 0 | 107.2 | ||||
| 12 | S | 25 | Very low | 28.5 | Very low | 104 Ų | 104 | 157.3 Ų | 157.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 122.2 | 155.8 | -67.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 13 | R | 31.8 | Very low | 28.5 | Very low | 232 Ų | 232 | 155.9 Ų | 155.9 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -154 | 110.2 | 143.6 | -101.5 | -175.1 | -154.2 | -118.3 | 3.1 | 109.9 | ||||
| 14 | L | 23.7 | Very low | 27.9 | Very low | 167 Ų | 167 | 157.9 Ų | 157.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -47.4 | 138.2 | 151.6 | -83.2 | 137 | 0 | 0 | 0 | 110.3 | ||||
| 15 | I | 27 | Very low | 28.3 | Very low | 153 Ų | 153 | 155 Ų | 155 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -173.8 | 108.7 | 135.3 | -84.1 | 142.3 | 0 | 0 | 0 | 107.1 | ||||
| 16 | Q | 23.5 | Very low | 28 | Very low | 187 Ų | 187 | 150.9 Ų | 150.9 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -80.4 | 145.6 | 140.7 | -74.8 | 178.7 | -41.2 | 0 | 0 | 106 | ||||
| 17 | P | 30 | Very low | 27.7 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | -150.4 | 176.9 | 64.4 | 36.5 | -14.1 | 0 | 0 | 0 | 116.7 | |||||
| 18 | D | 22.1 | Very low | 27.8 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -1.3 | 117.9 | 160.1 | -94.4 | -65.5 | 0 | 0 | 0 | 119 | ||||
| 19 | L | 29.2 | Very low | 27.6 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -111.9 | 90.8 | 158.1 | -107.1 | 150.4 | 0 | 0 | 0 | 108.7 | ||||
| 20 | Q | 23.3 | Very low | 27.6 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -65.7 | 141.5 | 149.4 | -73.3 | 176.7 | -50.6 | 0 | 0 | 109.8 | ||||
| 21 | R | 24.5 | Very low | 27.5 | Very low | 213 Ų | 213 | 147.6 Ų | 147.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 134 | 129.1 | 161.5 | -83.4 | 178.7 | 177.2 | -140.1 | -0.3 | 108.1 | ||||
| 22 | H | 28.7 | Very low | 27.5 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | cis | -146.9 | 155.2 | 27.9 | -63.7 | -94.2 | 0 | 0 | 0 | 106.8 | ||||
| 23 | S | 31.9 | Very low | 27.5 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | cis | -166.1 | 136.7 | 43.2 | -54.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 24 | N | 28.4 | Very low | 27.3 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -79.3 | 177.8 | 153.5 | -145.3 | 16 | 0 | 0 | 0 | 107.5 | ||||
| 25 | P | 39.2 | Very low | 27.6 | Very low | 111 Ų | 111 | 142 Ų | 142 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | cis | -145.5 | -174.1 | 10 | 39.1 | -15.5 | 0 | 0 | 0 | 117.4 | ||||
| 26 | A | 27.9 | Very low | 27.8 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | trans | 90.5 | 87.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 27 | C | 25.9 | Very low | 28 | Very low | 123 Ų | 123 | 138 Ų | 138 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | -174.9 | 89.8 | 107.4 | -90.8 | 0 | 0 | 0 | 0 | 108.9 | I29 | C27-I29 PolarHBondContact O-N 2.97Š| |||
| 28 | H | 26 | Very low | 27.9 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -68.1 | 110.1 | 158.2 | -91.2 | -93.7 | 0 | 0 | 0 | 107.8 | ||||
| 29 | I | 28.9 | Very low | 28.2 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -123.1 | 114.7 | 150.1 | -63.3 | -179.8 | 0 | 0 | 0 | 106.2 | C27 | C27-I29 PolarHBondContact O-N 2.97Š| ||
| 30 | V | 27.9 | Very low | 28 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | -56.4 | 132.9 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 109.8 | P32 | V30-P32 WeakPolarHBondContact O-CD 3.47Š| ||
| 31 | A | 23 | Very low | 28.1 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | -72.1 | 124.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N33 | A31-N33 PolarHBondContact O-N 3.21Š| ||
| 32 | P | 30 | Very low | 28.3 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -81.3 | 111.5 | 155 | 29.5 | -25.3 | 0 | 0 | 0 | 108.6 | V30 | V30-P32 WeakPolarHBondContact O-CD 3.47Š| ||
| 33 | N | 25.7 | Very low | 28.3 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -61.9 | 135.4 | 151.5 | -79.9 | -47.6 | 0 | 0 | 0 | 108.3 | A31 | A31-N33 PolarHBondContact O-N 3.21Š| ||
| 34 | Q | 26.5 | Very low | 28.4 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 159.8 | 148.2 | 134.1 | -81 | -64.7 | -46.6 | 0 | 0 | 109.7 | ||||
| 35 | P | 29.9 | Very low | 28.6 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | -88.1 | 121.8 | -148.3 | 33.5 | -32.8 | 0 | 0 | 0 | 111.8 | T37 | P35-T37 PolarHBondContact O-N 3.11Š| ||
| 36 | T | 31.1 | Very low | 28.7 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -85 | 113.4 | 162.5 | 49.2 | 0 | 0 | 0 | 0 | 108 | T38 | T36-T38 PolarHBondContact O-N 3.26Å; T36-T38 PolarHBondContact O-OG1 3.22Å | ||
| 37 | T | 27.6 | Very low | 28.8 | Very low | 134 Ų | 134 | 148.5 Ų | 148.5 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -42.3 | 90.1 | 161.1 | 35.7 | 0 | 0 | 0 | 0 | 109.5 | P35 T39 | P35-T37 PolarHBondContact O-N 3.11Å; T37-T39 PolarHBondContact O-N 3.36Å | ||
| 38 | T | 28.6 | Very low | 29.2 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 92.6 | 170.7 | -63.2 | 0 | 0 | 0 | 0 | 105.3 | T36 Q40 | T36-T38 PolarHBondContact O-N 3.26Å; T36-T38 PolarHBondContact O-OG1 3.22Å; T38-Q40 PolarHBondContact O-N 3.1Å | ||
| 39 | T | 28.4 | Very low | 29.7 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | -37.5 | 114.3 | 163.6 | -34.1 | 0 | 0 | 0 | 0 | 106.5 | T37 W41 | T37-T39 PolarHBondContact O-N 3.36Å; T39-W41 PolarHBondContact O-N 3.41Å | ||
| 40 | Q | 23.7 | Very low | 30 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -56.6 | 100.1 | 168.5 | -76.5 | 176.8 | -19.6 | 0 | 0 | 105.6 | T38 T42 | T38-Q40 PolarHBondContact O-N 3.1Å; Q40-T42 PolarHBondContact O-N 3.26Å | ||
| 41 | W | 26.9 | Very low | 30.3 | Very low | 228 Ų | 228 | 143.5 Ų | 143.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -64.7 | 85.8 | 156.8 | -71.3 | 96.7 | 0 | 0 | 0 | 105 | T39 M43 | T39-W41 PolarHBondContact O-N 3.41Å; W41-M43 PolarHBondContact O-N 3.4Å | ||
| 42 | T | 28.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -55.1 | 95.3 | 154.8 | 32.4 | 0 | 0 | 0 | 0 | 105 | Q40 P44 | Q40-T42 PolarHBondContact O-N 3.26Å; T42-P44 WeakPolarHBondContact O-CD 3.43Å | ||
| 43 | M | 28.8 | Very low | 30.9 | Very low | 172 Ų | 172 | 148 Ų | 148 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -56.6 | 116.3 | 168.8 | -70.3 | -160.7 | -169 | 0 | 0 | 105.8 | W41 F45 | W41-M43 PolarHBondContact O-N 3.4Å; M43-F45 PolarHBondContact O-N 3.44Å | ||
| 44 | P | 33 | Very low | 31.2 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -59.5 | 135 | 175.2 | 24.5 | -30.1 | 0 | 0 | 0 | 106.8 | T42 R46 | T42-P44 WeakPolarHBondContact O-CD 3.43Å; P44-R46 PolarHBondContact O-N 3.1Å; P44-R46 VanDerWaalsContact O-N 3.08Å | ||
| 45 | F | 33.1 | Very low | 31.3 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -26.7 | 115.1 | 171.8 | -111.3 | -106.9 | 0 | 0 | 0 | 110.2 | M43 Q47 | M43-F45 PolarHBondContact O-N 3.44Å; F45-Q47 VanDerWaalsContact C-N 3.3Å; F45-Q47 PolarHBondContact O-N 3.42Å | ||
| 46 | R | 40.5 | Very low | 31.5 | Very low | 240 Ų | 240 | 143.7 Ų | 143.7 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -53.6 | 98.8 | 173.3 | -100.3 | -172.2 | 171.1 | -149.7 | -1.8 | 107.8 | P44 | P44-R46 PolarHBondContact O-N 3.1Å; P44-R46 VanDerWaalsContact O-N 3.08Å | ||
| 47 | Q | 30 | Very low | 31.7 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -57.5 | 135.1 | 162.9 | -73.4 | 178.8 | -69.3 | 0 | 0 | 106.8 | F45 V49 | F45-Q47 VanDerWaalsContact C-N 3.3Å; F45-Q47 PolarHBondContact O-N 3.42Å; Q47-V49 PolarHBondContact O-N 3.39Å; Q47-V49 VanDerWaalsContact O-N 3.13Å | ||
| 48 | P | 35.1 | Very low | 31.7 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | trans | -61.5 | 121.2 | 179.8 | 24.6 | -31.5 | 0 | 0 | 0 | 108.2 | N50 | P48-N50 PolarHBondContact O-N 3.27Š| ||
| 49 | V | 35.7 | Very low | 31.8 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -68.8 | 74.7 | 176.9 | -170.2 | 0 | 0 | 0 | 0 | 108.5 | Q47 | Q47-V49 PolarHBondContact O-N 3.39Å; Q47-V49 VanDerWaalsContact O-N 3.13Å |
| 50 | N | 35.1 | Very low | 31.9 | Very low | 70 Ų | 70 | 150.3 Ų | 150.3 | 37% | 0.374 | 78% | 0.78 | S | S | . | * | trans | -128 | 10.6 | 174.7 | -102.3 | 19.4 | 0 | 0 | 0 | 112.2 | P48 L134 | P48-N50 PolarHBondContact O-N 3.27Å; N50-L134 WeakPolarHBondContact ND2-CD2 3.27Å | ||
| 51 | Q | 35.9 | Very low | 32.3 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -115.2 | 15.6 | 179.7 | -77.1 | -164.2 | 18.1 | 0 | 0 | 116 | ||
| 52 | L | 33.5 | Very low | 32.4 | Very low | 146 Ų | 146 | 148 Ų | 148 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -116.8 | 11.8 | 174.1 | -108 | 123.9 | 0 | 0 | 0 | 115.5 | ||
| 53 | L | 31.2 | Very low | 32.6 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -101.1 | 7.6 | -179.4 | -87.2 | 148.2 | 0 | 0 | 0 | 114.8 | ||
| 54 | A | 31.4 | Very low | 32.4 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -97.4 | -3.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 55 | A | 29.8 | Very low | 32 | Very low | 84 Ų | 84 | 147.5 Ų | 147.5 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -122.3 | 52 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 56 | L | 34.4 | Very low | 31.7 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -137.2 | 116.1 | 165.6 | -77.7 | 165.1 | 0 | 0 | 0 | 109.2 | ||||
| 57 | P | 34.3 | Very low | 31 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 136.9 | 178.8 | 26.6 | -30.8 | 0 | 0 | 0 | 110.8 | ||||
| 58 | N | 28.4 | Very low | 31 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -55.6 | 150.8 | 178 | -167.1 | 3.2 | 0 | 0 | 0 | 112.2 | ||||
| 59 | R | 30 | Very low | 30.8 | Very low | 208 Ų | 208 | 132.7 Ų | 132.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 93 | 82.5 | 153.7 | -141.3 | 176.6 | -155.3 | -110.1 | 4.4 | 117.5 | ||||
| 60 | T | 31.6 | Very low | 30.8 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -120.1 | 119.1 | 139.8 | 41.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 61 | V | 30.9 | Very low | 31 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.8 | 178.4 | 169.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 62 | W | 29.1 | Very low | 31.3 | Very low | 230 Ų | 230 | 131.8 Ų | 131.8 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 124.8 | 171.5 | -69.6 | 74.6 | 0 | 0 | 0 | 108.7 | ||
| 63 | P | 31.9 | Very low | 31.7 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 139.9 | 178.1 | 28.5 | -30.5 | 0 | 0 | 0 | 110.5 | ||
| 64 | Q | 24.7 | Very low | 32.3 | Very low | 199 Ų | 199 | 126.3 Ų | 126.3 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 139.9 | 173.6 | -61.5 | -162.5 | 30.3 | 0 | 0 | 110.7 | ||
| 65 | G | 25.6 | Very low | 33.3 | Very low | 79 Ų | 79 | 127.1 Ų | 127.1 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | trans | 123.9 | 131 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 66 | G | 26.5 | Very low | 34.7 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | 98.1 | 106.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 67 | G | 26 | Very low | 35.3 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 88% | 0.876 | 74% | 0.739 | S | S | * | * | trans | -72 | 140.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 68 | A | 30.3 | Very low | 36.3 | Very low | 91 Ų | 91 | 125.2 Ų | 125.2 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | -160.3 | 128.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | C70 | A68-C70 PolarHBondContact O-N 3.5Š| ||
| 69 | V | 30.7 | Very low | 38.2 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 90% | 0.897 | 72% | 0.717 | S | S | * | * | trans | -16.8 | 110.1 | 166 | -87.7 | 0 | 0 | 0 | 0 | 116.1 | S71 | V69-S71 PolarHBondContact O-N 3.3Š| ||
| 70 | C | 35.5 | Very low | 39.6 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 70% | 0.703 | 71% | 0.707 | S | S | * | * | trans | -85.5 | 89.3 | 168.8 | -171 | 0 | 0 | 0 | 0 | 109 | A68 | A68-C70 PolarHBondContact O-N 3.5Š| ||
| 71 | S | 38.8 | Very low | 40.8 | Very low | 85 Ų | 85 | 118.9 Ų | 118.9 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | trans | -70.5 | 149.7 | 165.2 | -164.3 | 0 | 0 | 0 | 0 | 109.2 | V69 E73 A74 | V69-S71 PolarHBondContact O-N 3.3Å; S71-E73 PolarHBondContact O-N 2.87Å; S71-A74 PolarHBondContact O-N 3Å; S71-A74 VanDerWaalsContact O-N 3.13Å | ||
| 72 | Q | 43.6 | Very low | 42.5 | Very low | 172 Ų | 172 | 116.3 Ų | 116.3 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -12.4 | -170.3 | -159.1 | 151.9 | -73.9 | 0 | 0 | 115.1 | ||
| 73 | E | 40.3 | Very low | 43.7 | Very low | 139 Ų | 139 | 107.1 Ų | 107.1 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -59.2 | -38.9 | 172.6 | -62.5 | -66.9 | 137 | 0 | 0 | 113.3 | S71 L75 Y76 S77 | S71-E73 PolarHBondContact O-N 2.87Å; E73-L75 VanDerWaalsContact C-N 3.31Å; E73-L75 PolarHBondContact O-N 3.15Å; E73-Y76 PolarHBondContact O-N 3Å; E73-Y76 VanDerWaalsContact O-N 3.1Å; E73-S77 PolarHBondContact O-N 2.86Å; E73-S77 PolarHBondContact O-OG 3.14Å |
| 74 | A | 45.7 | Very low | 44.8 | Very low | 43 Ų | 43 | 105 Ų | 105 | 36% | 0.355 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67 | -30.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S71 L78 | S71-A74 PolarHBondContact O-N 3Å; S71-A74 VanDerWaalsContact O-N 3.13Å; A74-L78 WeakPolarHBondContact O-CB 3.22Å; A74-L78 WeakPolarHBondContact O-CD1 3.08Å; A74-L78 PolarHBondContact O-N 2.8Å |
| 75 | L | 52.3 | Low | 46.4 | Very low | 123 Ų | 123 | 101 Ų | 101 | 64% | 0.644 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.8 | -32 | 175.1 | -70.6 | 174.3 | 0 | 0 | 0 | 112 | E73 W79 | E73-L75 VanDerWaalsContact C-N 3.31Å; E73-L75 PolarHBondContact O-N 3.15Å; L75-W79 WeakPolarHBondContact O-CB 3.17Å; L75-W79 PolarHBondContact O-N 3.33Å |
| 76 | Y | 57.6 | Low | 47.6 | Very low | 140 Ų | 140 | 104.3 Ų | 104.3 | 55% | 0.549 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74.2 | -38.3 | 177 | -151.7 | -100.6 | 0 | 0 | 0 | 111.2 | E73 W79 M80 | E73-Y76 PolarHBondContact O-N 3Å; E73-Y76 VanDerWaalsContact O-N 3.1Å; Y76-W79 HydrophobicContact CE2-CE3 4.49Å; Y76-W79 PolarHBondContact O-N 3.39Å; Y76-M80 HydrophobicContact CD1-CE 4.49Å; Y76-M80 HydrophobicContact CD1-CG 4.47Å; Y76-M80 HydrophobicContact CE1-CE 3.64Å; Y76-M80 HydrophobicContact CE1-CG 4.48Å; Y76-M80 PolarHBondContact O-N 3.47Å |
| 77 | S | 46.7 | Very low | 48.8 | Very low | 74 Ų | 74 | 103.4 Ų | 103.4 | 52% | 0.517 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.1 | -38.9 | 171.6 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | E73 W79 M80 A81 | E73-S77 PolarHBondContact O-N 2.86Å; E73-S77 PolarHBondContact O-OG 3.14Å; S77-W79 VanDerWaalsContact C-N 3.29Å; S77-W79 PolarHBondContact O-N 2.73Å; S77-M80 PolarHBondContact O-N 3.19Å; S77-A81 VanDerWaalsContact O-CB 3.25Å; S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 3.49Å |
| 78 | L | 57.3 | Low | 49.9 | Very low | 106 Ų | 106 | 102.4 Ų | 102.4 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.5 | -31.8 | 172.8 | -106.9 | 85.7 | 0 | 0 | 0 | 112.8 | A74 N82 | A74-L78 WeakPolarHBondContact O-CB 3.22Å; A74-L78 WeakPolarHBondContact O-CD1 3.08Å; A74-L78 PolarHBondContact O-N 2.8Å; L78-N82 WeakPolarHBondContact O-CB 3.2Å; L78-N82 PolarHBondContact O-N 3.37Å; L78-N82 PolarHBondContact O-ND2 3.33Å |
| 79 | W | 66.9 | Low | 51 | Low | 164 Ų | 164 | 100.7 Ų | 100.7 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.3 | -41.6 | 176.4 | -170 | 72.6 | 0 | 0 | 0 | 111.5 | L75 Y76 S77 G83 | L75-W79 WeakPolarHBondContact O-CB 3.17Å; L75-W79 PolarHBondContact O-N 3.33Å; Y76-W79 HydrophobicContact CE2-CE3 4.49Å; Y76-W79 PolarHBondContact O-N 3.39Å; S77-W79 VanDerWaalsContact C-N 3.29Å; S77-W79 PolarHBondContact O-N 2.73Å; W79-G83 PolarHBondContact O-N 2.82Å |
| 80 | M | 59 | Low | 52 | Low | 117 Ų | 117 | 96.7 Ų | 96.7 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.1 | -38.9 | 174.5 | -69.8 | -64 | -175.5 | 0 | 0 | 112.5 | Y76 S77 N82 G83 | Y76-M80 HydrophobicContact CD1-CE 4.49Å; Y76-M80 HydrophobicContact CD1-CG 4.47Å; Y76-M80 HydrophobicContact CE1-CE 3.64Å; Y76-M80 HydrophobicContact CE1-CG 4.48Å; Y76-M80 PolarHBondContact O-N 3.47Å; S77-M80 PolarHBondContact O-N 3.19Å; M80-N82 VanDerWaalsContact C-N 3.34Å; M80-N82 PolarHBondContact O-N 3.42Å; M80-G83 PolarHBondContact O-N 3.22Å |
| 81 | A | 57.4 | Low | 52.7 | Low | 77 Ų | 77 | 94.9 Ų | 94.9 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.8 | -29.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S77 | S77-A81 VanDerWaalsContact O-CB 3.25Å; S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 3.49Å |
| 82 | N | 67.2 | Low | 53.2 | Low | 63 Ų | 63 | 94 Ų | 94 | 34% | 0.337 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.1 | 6.7 | -179.1 | -65.5 | -54.9 | 0 | 0 | 0 | 113.9 | L78 M80 A84 I85 | L78-N82 WeakPolarHBondContact O-CB 3.2Å; L78-N82 PolarHBondContact O-N 3.37Å; L78-N82 PolarHBondContact O-ND2 3.33Å; M80-N82 VanDerWaalsContact C-N 3.34Å; M80-N82 PolarHBondContact O-N 3.42Å; N82-A84 PolarHBondContact O-N 3.16Å; N82-I85 HydrophobicContact CB-CD1 4.46Å; N82-I85 PolarHBondContact O-N 3.16Å; N82-I85 VanDerWaalsContact O-N 3.07Å |
| 83 | G | 53.8 | Low | 53.5 | Low | 36 Ų | 36 | 88.7 Ų | 88.7 | 37% | 0.371 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58 | -33 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | W79 M80 I85 F86 A87 | W79-G83 PolarHBondContact O-N 2.82Å; M80-G83 PolarHBondContact O-N 3.22Å; G83-I85 VanDerWaalsContact C-N 3.33Å; G83-I85 PolarHBondContact O-N 3.38Å; G83-F86 PolarHBondContact O-N 3.06Å; G83-A87 PolarHBondContact O-N 3.19Å; G83-A87 VanDerWaalsContact O-N 3.12Å |
| 84 | A | 54.7 | Low | 53.9 | Low | 79 Ų | 79 | 85.1 Ų | 85.1 | 65% | 0.653 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -32.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N82 F86 A87 A88 | N82-A84 PolarHBondContact O-N 3.16Å; A84-F86 VanDerWaalsContact C-N 3.34Å; A84-A87 PolarHBondContact O-N 2.9Å; A84-A88 PolarHBondContact O-N 2.85Å |
| 85 | I | 59.1 | Low | 53.9 | Low | 114 Ų | 114 | 86.6 Ų | 86.6 | 59% | 0.585 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.1 | -33.9 | 179.9 | -55.2 | 177.8 | 0 | 0 | 0 | 110.3 | N82 G83 A89 | N82-I85 HydrophobicContact CB-CD1 4.46Å; N82-I85 PolarHBondContact O-N 3.16Å; N82-I85 VanDerWaalsContact O-N 3.07Å; G83-I85 VanDerWaalsContact C-N 3.33Å; G83-I85 PolarHBondContact O-N 3.38Å; I85-A89 PolarHBondContact O-N 3.37Å |
| 86 | F | 51.1 | Low | 53.6 | Low | 148 Ų | 148 | 84.3 Ų | 84.3 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -77.1 | -33.2 | 176.2 | -75.8 | -77.5 | 0 | 0 | 0 | 113.2 | G83 A84 A89 A90 | G83-F86 PolarHBondContact O-N 3.06Å; A84-F86 VanDerWaalsContact C-N 3.34Å; F86-A89 PolarHBondContact O-N 2.77Å; F86-A90 PolarHBondContact O-N 3.24Å; F86-A90 VanDerWaalsContact O-N 3.08Å |
| 87 | A | 51 | Low | 53.1 | Low | 64 Ų | 64 | 82.9 Ų | 82.9 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.5 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | G83 A84 A90 A91 | G83-A87 PolarHBondContact O-N 3.19Å; G83-A87 VanDerWaalsContact O-N 3.12Å; A84-A87 PolarHBondContact O-N 2.9Å; A87-A90 PolarHBondContact O-N 3.32Å; A87-A91 PolarHBondContact O-N 2.82Å; A87-A91 VanDerWaalsContact O-N 3.1Å |
| 88 | A | 49.7 | Very low | 52.7 | Low | 64 Ų | 64 | 83.9 Ų | 83.9 | 53% | 0.529 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.2 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A84 A91 A92 | A84-A88 PolarHBondContact O-N 2.85Å; A88-A91 PolarHBondContact O-N 3.36Å; A88-A92 PolarHBondContact O-N 3.43Å; A88-A92 VanDerWaalsContact O-N 3.14Å |
| 89 | A | 52.6 | Low | 51.7 | Low | 55 Ų | 55 | 83.4 Ų | 83.4 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.1 | -35 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I85 F86 A93 | I85-A89 PolarHBondContact O-N 3.37Å; F86-A89 PolarHBondContact O-N 2.77Å; A89-A93 PolarHBondContact O-N 3.2Å |
| 90 | A | 51.2 | Low | 50.3 | Low | 63 Ų | 63 | 79.2 Ų | 79.2 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.1 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F86 A87 A93 A94 | F86-A90 PolarHBondContact O-N 3.24Å; F86-A90 VanDerWaalsContact O-N 3.08Å; A87-A90 PolarHBondContact O-N 3.32Å; A90-A93 PolarHBondContact O-N 2.78Å; A90-A94 PolarHBondContact O-N 3.12Å |
| 91 | A | 49.9 | Very low | 49 | Very low | 66 Ų | 66 | 81.7 Ų | 81.7 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.7 | -39 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A87 A88 A93 A94 A95 | A87-A91 PolarHBondContact O-N 2.82Å; A87-A91 VanDerWaalsContact O-N 3.1Å; A88-A91 PolarHBondContact O-N 3.36Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A91-A93 PolarHBondContact O-N 3.29Å; A91-A94 PolarHBondContact O-N 3.31Å; A91-A95 PolarHBondContact O-N 3.05Å |
| 92 | A | 49.7 | Very low | 47.8 | Very low | 66 Ų | 66 | 85.4 Ų | 85.4 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A88 A96 | A88-A92 PolarHBondContact O-N 3.43Å; A88-A92 VanDerWaalsContact O-N 3.14Å; A92-A96 PolarHBondContact O-N 3.24Å |
| 93 | A | 51 | Low | 46.1 | Very low | 61 Ų | 61 | 86 Ų | 86 | 50% | 0.504 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.1 | -34.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A89 A90 A91 A96 T97 | A89-A93 PolarHBondContact O-N 3.2Å; A90-A93 PolarHBondContact O-N 2.78Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A91-A93 PolarHBondContact O-N 3.29Å; A93-A96 PolarHBondContact O-N 3.09Å; A93-T97 PolarHBondContact O-OG1 3.25Å |
| 94 | A | 48.4 | Very low | 44.8 | Very low | 64 Ų | 64 | 93.9 Ų | 93.9 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.2 | -35 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A90 A91 A96 T97 | A90-A94 PolarHBondContact O-N 3.12Å; A91-A94 PolarHBondContact O-N 3.31Å; A94-A96 VanDerWaalsContact C-N 3.33Å; A94-A96 PolarHBondContact O-N 3.47Å; A94-T97 PolarHBondContact O-N 3.1Å; A94-T97 PolarHBondContact O-OG1 3.03Å; A94-T97 VanDerWaalsContact O-OG1 3.05Å |
| 95 | A | 46.6 | Very low | 43.7 | Very low | 74 Ų | 74 | 95.9 Ų | 95.9 | 61% | 0.612 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.8 | -32.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A91 T97 | A91-A95 PolarHBondContact O-N 3.05Å; A95-T97 VanDerWaalsContact C-N 3.33Å; A95-T97 PolarHBondContact O-N 2.72Å |
| 96 | A | 45.3 | Very low | 41.9 | Very low | 76 Ų | 76 | 100.5 Ų | 100.5 | 63% | 0.628 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.3 | -21.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A92 A93 A94 | A92-A96 PolarHBondContact O-N 3.24Å; A93-A96 PolarHBondContact O-N 3.09Å; A94-A96 VanDerWaalsContact C-N 3.33Å; A94-A96 PolarHBondContact O-N 3.47Å |
| 97 | T | 46.5 | Very low | 40.9 | Very low | 110 Ų | 110 | 97.9 Ų | 97.9 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -87 | -5.3 | 179.7 | 38.6 | 0 | 0 | 0 | 0 | 115 | A93 A94 A95 A99 | A93-T97 PolarHBondContact O-OG1 3.25Å; A94-T97 PolarHBondContact O-N 3.1Å; A94-T97 PolarHBondContact O-OG1 3.03Å; A94-T97 VanDerWaalsContact O-OG1 3.05Å; A95-T97 VanDerWaalsContact C-N 3.33Å; A95-T97 PolarHBondContact O-N 2.72Å; T97-A99 VanDerWaalsContact C-N 3.32Å; T97-A99 PolarHBondContact O-N 3.1Å |
| 98 | A | 37.6 | Very low | 40.3 | Very low | 95 Ų | 95 | 100.1 Ų | 100.1 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -78.6 | -10.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 99 | A | 37.3 | Very low | 39.1 | Very low | 96 Ų | 96 | 107.5 Ų | 107.5 | 79% | 0.793 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -104.6 | -0.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T97 | T97-A99 VanDerWaalsContact C-N 3.32Å; T97-A99 PolarHBondContact O-N 3.1Å |
| 100 | A | 36.6 | Very low | 37.8 | Very low | 76 Ų | 76 | 108.4 Ų | 108.4 | 63% | 0.628 | 72% | 0.723 | S | S | * | * | trans | -140.6 | 75.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 101 | N | 32.1 | Very low | 37.1 | Very low | 169 Ų | 169 | 111 Ų | 111 | 90% | 0.904 | 73% | 0.734 | S | S | * | * | trans | -161.9 | 85.1 | 154.2 | -91.6 | -33.5 | 0 | 0 | 0 | 109.8 | ||||
| 102 | V | 33.6 | Very low | 35.8 | Very low | 154 Ų | 154 | 113.7 Ų | 113.7 | 93% | 0.933 | 74% | 0.744 | S | S | * | * | trans | -114.8 | 126.6 | 161.7 | 176.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 103 | G | 29.7 | Very low | 34.7 | Very low | 75 Ų | 75 | 119.1 Ų | 119.1 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 109.3 | 91.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 104 | K | 26.2 | Very low | 33.8 | Very low | 202 Ų | 202 | 121.3 Ų | 121.3 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | -49.2 | 179.3 | 151.9 | -95.2 | 161.2 | 173.5 | 175.9 | 0 | 114.5 | ||||
| 105 | P | 32.5 | Very low | 32.6 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | cis | -136 | 161.3 | 9.1 | 20.5 | 5.4 | 0 | 0 | 0 | 118.3 | ||||
| 106 | F | 20.7 | Very low | 31.6 | Very low | 210 Ų | 210 | 130.8 Ų | 130.8 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -73.6 | 149.6 | 159.4 | -97.3 | -110.1 | 0 | 0 | 0 | 113.2 | ||||
| 107 | A | 29.8 | Very low | 30.6 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -172 | 169.6 | 138.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 108 | P | 39.2 | Very low | 29.6 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | -129 | 170.3 | -111.6 | 20.5 | 5.5 | 0 | 0 | 0 | 117.6 | |||||
| 109 | F | 24.1 | Very low | 29 | Very low | 219 Ų | 219 | 139.2 Ų | 139.2 | 96% | 0.961 | 80% | 0.803 | S | S | * | * | trans | 25.7 | 127.9 | 146.3 | -68.4 | -82.2 | 0 | 0 | 0 | 122.8 | ||||
| 110 | G | 25.7 | Very low | 28.5 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -177.1 | 154.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 111 | P | 35.5 | Very low | 28.1 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | -115.7 | 163.1 | -125 | 41.2 | -34.4 | 0 | 0 | 0 | 117.7 | |||||
| 112 | T | 24 | Very low | 28 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 33.8 | 125.8 | 144.2 | 57 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 113 | M | 25.8 | Very low | 27.9 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | 175.7 | 165.6 | 124.8 | -93 | -48.3 | -150.7 | 0 | 0 | 111 | |||||
| 114 | P | 32 | Very low | 27.8 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -108.9 | 165.5 | -133.5 | 40.6 | -35.1 | 0 | 0 | 0 | 117.3 | ||||
| 115 | V | 22.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -2.5 | 120.7 | 154.1 | -171.7 | 0 | 0 | 0 | 0 | 117.8 | L117 | V115-L117 HydrophobicContact CG1-CD1 3.8Š| ||
| 116 | R | 26.8 | Very low | 27.8 | Very low | 213 Ų | 213 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -140.9 | 102.5 | 144.1 | -165.9 | 170.6 | -171.9 | 171.3 | 3.5 | 110.3 | K118 | R116-K118 PolarHBondContact O-N 2.96Š| ||
| 117 | L | 23.1 | Very low | 28.4 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -71 | 110.6 | 167.8 | -75.8 | 118.5 | 0 | 0 | 0 | 108.8 | V115 | V115-L117 HydrophobicContact CG1-CD1 3.8Š| ||
| 118 | K | 26.7 | Very low | 28.3 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 74% | 0.735 | 78% | 0.78 | S | S | * | * | trans | -113.5 | 113.9 | 155.3 | -91.3 | -176.5 | 175.6 | -177.8 | 0 | 108.3 | R116 | R116-K118 PolarHBondContact O-N 2.96Š| ||
| 119 | T | 24.1 | Very low | 27.9 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 114 | 167.8 | 48.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 120 | S | 28.1 | Very low | 28.2 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | -156.7 | 112.4 | 155.9 | 50.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 121 | S | 27 | Very low | 28.6 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 23.4 | 136 | 133.6 | 44.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 122 | S | 30.7 | Very low | 28.6 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 70.4 | 87 | 154.1 | 53.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 123 | L | 31.3 | Very low | 29 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -134.3 | 96.8 | 134.7 | -93.9 | 152 | 0 | 0 | 0 | 107.2 | A125 | L123-A125 PolarHBondContact O-N 3.4Å; L123-A125 VanDerWaalsContact O-N 3.13Å | ||
| 124 | S | 27.5 | Very low | 29.3 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -61.4 | 102.4 | 158.8 | -58.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 125 | A | 32 | Very low | 29.3 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 63% | 0.628 | 76% | 0.762 | S | S | * | * | trans | -127.1 | 119.6 | 169 | 0 | 0 | 0 | 0 | 0 | 107.1 | L123 I127 | L123-A125 PolarHBondContact O-N 3.4Å; L123-A125 VanDerWaalsContact O-N 3.13Å; A125-I127 PolarHBondContact O-N 2.82Å | ||
| 126 | D | 28.1 | Very low | 30 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | -48.2 | 106.4 | -179.8 | -65.1 | -74.7 | 0 | 0 | 0 | 112 | P128 | D126-P128 WeakPolarHBondContact O-CD 3.32Š| ||
| 127 | I | 31.4 | Very low | 30.5 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 82% | 0.821 | 76% | 0.762 | S | S | * | * | trans | -91.4 | 108.3 | 157.2 | -62.1 | 176 | 0 | 0 | 0 | 105.5 | A125 K129 | A125-I127 PolarHBondContact O-N 2.82Å; I127-K129 PolarHBondContact O-N 3.11Å | ||
| 128 | P | 29.1 | Very low | 30.8 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | trans | -60.7 | 137.5 | -178.7 | 23.3 | -31.2 | 0 | 0 | 0 | 109.1 | D126 S130 | D126-P128 WeakPolarHBondContact O-CD 3.32Å; P128-S130 PolarHBondContact O-N 2.92Å | ||
| 129 | K | 31 | Very low | 31.1 | Very low | 209 Ų | 209 | 131 Ų | 131 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -59.5 | 79.3 | 165.1 | -72.2 | 171.3 | -178.9 | 166.9 | 0 | 107.8 | I127 S131 | I127-K129 PolarHBondContact O-N 3.11Å; K129-S131 PolarHBondContact O-N 3.29Å | ||
| 130 | S | 30.8 | Very low | 31.9 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | -65.5 | 107.2 | 172.8 | -178.7 | 0 | 0 | 0 | 0 | 106.3 | P128 T132 | P128-S130 PolarHBondContact O-N 2.92Å; S130-T132 PolarHBondContact O-N 2.96Å; S130-T132 PolarHBondContact O-OG1 3.01Å | ||
| 131 | S | 33.2 | Very low | 32.1 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -51.9 | 83.6 | 169.9 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | K129 K133 | K129-S131 PolarHBondContact O-N 3.29Å; S131-K133 PolarHBondContact O-N 3.35Å | ||
| 132 | T | 35.9 | Very low | 32.6 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -74.6 | 78.8 | 158.9 | 9.8 | 0 | 0 | 0 | 0 | 106.1 | S130 L134 | S130-T132 PolarHBondContact O-N 2.96Å; S130-T132 PolarHBondContact O-OG1 3.01Å; T132-L134 HydrophobicContact CG2-CD1 4.03Å; T132-L134 HydrophobicContact CG2-CG 4.49Å; T132-L134 PolarHBondContact O-N 3.21Å | ||
| 133 | K | 32.3 | Very low | 32.7 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | -58.8 | 71.5 | 149.7 | -90.3 | -179 | 173.5 | 175.7 | 0 | 107.1 | S131 L135 | S131-K133 PolarHBondContact O-N 3.35Å; K133-L135 PolarHBondContact O-N 2.9Å | ||
| 134 | L | 32.7 | Very low | 32.8 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | trans | -81.8 | 108.9 | 161.2 | -96.7 | 153.6 | 0 | 0 | 0 | 105.3 | N50 T132 L136 | N50-L134 WeakPolarHBondContact ND2-CD2 3.27Å; T132-L134 HydrophobicContact CG2-CD1 4.03Å; T132-L134 HydrophobicContact CG2-CG 4.49Å; T132-L134 PolarHBondContact O-N 3.21Å; L134-L136 PolarHBondContact O-N 3.08Å | ||
| 135 | L | 30.6 | Very low | 33.4 | Very low | 150 Ų | 150 | 129 Ų | 129 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -58.6 | 68.6 | 168.1 | -65.3 | 167 | 0 | 0 | 0 | 109.8 | K133 S137 | K133-L135 PolarHBondContact O-N 2.9Å; L135-S137 VanDerWaalsContact C-N 3.29Å; L135-S137 PolarHBondContact O-N 3.26Å | ||
| 136 | L | 38.2 | Very low | 33.8 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | -79.6 | 96.9 | 155.6 | -150.6 | 72.3 | 0 | 0 | 0 | 104.5 | L134 | L134-L136 PolarHBondContact O-N 3.08Š| ||
| 137 | S | 36.2 | Very low | 34.8 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | 4.6 | 119.2 | 159.3 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | L135 | L135-S137 VanDerWaalsContact C-N 3.29Å; L135-S137 PolarHBondContact O-N 3.26Å | ||
| 138 | Q | 29.8 | Very low | 35.4 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -11.7 | 128 | 174.6 | -59 | -166.1 | -10.1 | 0 | 0 | 113.1 | I140 | Q138-I140 PolarHBondContact O-N 3.44Š| ||
| 139 | P | 33 | Very low | 36.4 | Very low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | trans | -46.7 | 118.1 | 171.5 | 22.1 | -31.6 | 0 | 0 | 0 | 105.6 | R141 | P139-R141 VanDerWaalsContact C-N 3.29Å; P139-R141 PolarHBondContact O-N 3.47Å | ||
| 140 | I | 41.2 | Very low | 37 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 55% | 0.549 | 70% | 0.697 | S | S | . | * | trans | -47.3 | 112.6 | 174 | -64.9 | 175.7 | 0 | 0 | 0 | 102.4 | Q138 C142 | Q138-I140 PolarHBondContact O-N 3.44Å; I140-C142 PolarHBondContact O-N 3.14Å | ||
| 141 | R | 32.5 | Very low | 37.8 | Very low | 227 Ų | 227 | 130.9 Ų | 130.9 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | trans | -60.2 | 90 | 173.6 | -86.4 | 179.3 | 167.1 | -161.9 | -2 | 102.7 | P139 G143 | P139-R141 VanDerWaalsContact C-N 3.29Å; P139-R141 PolarHBondContact O-N 3.47Å; R141-G143 PolarHBondContact O-N 3.49Å | ||
| 142 | C | 36.7 | Very low | 38.5 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 78% | 0.777 | 69% | 0.69 | S | S | * | * | trans | -53.8 | 102.4 | 150 | -48.4 | 0 | 0 | 0 | 0 | 100.4 | I140 A144 | I140-C142 PolarHBondContact O-N 3.14Å; C142-A144 PolarHBondContact O-N 2.77Å | ||
| 143 | G | 33.6 | Very low | 38.8 | Very low | 52 Ų | 52 | 127 Ų | 127 | 54% | 0.536 | 68% | 0.682 | S | S | . | * | trans | -45.4 | 148.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | R141 A145 | R141-G143 PolarHBondContact O-N 3.49Å; G143-A145 PolarHBondContact O-N 3.35Å | ||
| 144 | A | 33.8 | Very low | 39.7 | Very low | 109 Ų | 109 | 125 Ų | 125 | 90% | 0.901 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -62.8 | 38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C142 R146 | C142-A144 PolarHBondContact O-N 2.77Å; A144-R146 PolarHBondContact O-N 3.3Å |
| 145 | A | 40.2 | Very low | 40.2 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 72% | 0.719 | 69% | 0.693 | S | S | * | * | trans | -59.9 | 92.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | G143 N147 | G143-A145 PolarHBondContact O-N 3.35Å; A145-N147 PolarHBondContact O-N 3.01Å | ||
| 146 | R | 40 | Very low | 41.1 | Very low | 219 Ų | 219 | 123.6 Ų | 123.6 | 83% | 0.826 | 67% | 0.666 | S | S | * | * | trans | -34.9 | 112.9 | 149.4 | -88.3 | 179.7 | -177.7 | 138.4 | 0.5 | 105.8 | A144 K148 | A144-R146 PolarHBondContact O-N 3.3Å; R146-K148 PolarHBondContact O-N 3.38Å | ||
| 147 | N | 47.9 | Very low | 41.5 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 37% | 0.369 | 65% | 0.648 | S | S | . | * | trans | -56.3 | 121.9 | -176.9 | -169.5 | -21.4 | 0 | 0 | 0 | 105.7 | A145 L149 D150 | A145-N147 PolarHBondContact O-N 3.01Å; N147-L149 HydrophobicContact CB-CB 4.3Å; N147-L149 VanDerWaalsContact CG-CD1 3.49Å; N147-L149 PolarHBondContact O-N 3.28Å; N147-L149 WeakPolarHBondContact OD1-CD1 3.49Å; N147-L149 PolarHBondContact OD1-N 2.9Å; N147-D150 PolarHBondContact O-N 3.1Å | ||
| 148 | K | 45.6 | Very low | 42.1 | Very low | 188 Ų | 188 | 118.5 Ų | 118.5 | 82% | 0.817 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -58.8 | 1.8 | 179.7 | -151.9 | 172.7 | -177.4 | -178 | 0 | 112.8 | R146 D150 | R146-K148 PolarHBondContact O-N 3.38Å; K148-D150 PolarHBondContact O-N 3.36Å |
| 149 | L | 49.5 | Very low | 42.8 | Very low | 67 Ų | 67 | 118 Ų | 118 | 35% | 0.351 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -54 | -16.6 | 162.8 | -103 | 95.4 | 0 | 0 | 0 | 115.3 | N147 K151 C152 I236 | N147-L149 HydrophobicContact CB-CB 4.3Å; N147-L149 VanDerWaalsContact CG-CD1 3.49Å; N147-L149 PolarHBondContact O-N 3.28Å; N147-L149 WeakPolarHBondContact OD1-CD1 3.49Å; N147-L149 PolarHBondContact OD1-N 2.9Å; L149-K151 PolarHBondContact O-N 3.44Å; L149-K151 VanDerWaalsContact O-N 3.09Å; L149-C152 PolarHBondContact O-N 2.97Å; L149-I236 HydrophobicContact CD1-CD1 3.88Å |
| 150 | D | 43.6 | Very low | 43.5 | Very low | 111 Ų | 111 | 113.1 Ų | 113.1 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -66.3 | -8.2 | -179.7 | -68.9 | -33.1 | 0 | 0 | 0 | 114.5 | N147 K148 C152 S153 | N147-D150 PolarHBondContact O-N 3.1Å; K148-D150 PolarHBondContact O-N 3.36Å; D150-C152 PolarHBondContact O-N 3.35Å; D150-S153 PolarHBondContact O-OG 2.83Å |
| 151 | K | 48.4 | Very low | 43.5 | Very low | 193 Ų | 193 | 111.4 Ų | 111.4 | 84% | 0.839 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -88.3 | 9.2 | 178.7 | -152.8 | 159 | -174.9 | -179.9 | 0 | 115.3 | L149 S153 | L149-K151 PolarHBondContact O-N 3.44Å; L149-K151 VanDerWaalsContact O-N 3.09Å; K151-S153 PolarHBondContact O-N 3.23Å |
| 152 | C | 46.7 | Very low | 44.3 | Very low | 65 Ų | 65 | 105.2 Ų | 105.2 | 44% | 0.439 | 61% | 0.606 | S | S | . | * | trans | -83 | 45.3 | 164.7 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | L149 D150 C232 | L149-C152 PolarHBondContact O-N 2.97Å; D150-C152 PolarHBondContact O-N 3.35Å; C152-C232 HydrophobicContact CB-CB 3.64Å; C152-C232 WeakPolarHBondContact CB-SG 3.02Å; C152-C232 WeakPolarHBondContact SG-CA 3.38Å; C152-C232 WeakPolarHBondContact SG-CB 3.43Å; C152-C232 CovalentContact SG-SG 2.03Å; C152-C232 PolarHBondContact SG-SG 3.29Å | ||
| 153 | S | 43.2 | Very low | 44.8 | Very low | 75 Ų | 75 | 105.6 Ų | 105.6 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | trans | -109.3 | 111.9 | 176 | -59.2 | 0 | 0 | 0 | 0 | 107.6 | D150 K151 | D150-S153 PolarHBondContact O-OG 2.83Å; K151-S153 PolarHBondContact O-N 3.23Å | ||
| 154 | N | 49.6 | Very low | 45.6 | Very low | 145 Ų | 145 | 108.8 Ų | 108.8 | 78% | 0.775 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 99.8 | -10.8 | 142.2 | -48.6 | -14.3 | 0 | 0 | 0 | 121.7 | ||
| 155 | E | 45.1 | Very low | 45.9 | Very low | 175 Ų | 175 | 107.8 Ų | 107.8 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -95.9 | -4.5 | -179 | -70.6 | -175.1 | 125.9 | 0 | 0 | 116.2 | ||
| 156 | E | 48.6 | Very low | 45.8 | Very low | 50 Ų | 50 | 109.8 Ų | 109.8 | 23% | 0.234 | 59% | 0.59 | C | S | . | * | S | Bend | trans | -118 | 7 | -179.5 | -64.6 | -177.7 | 138.8 | 0 | 0 | 113.3 | S158 K219 L231 K235 | E156-S158 VanDerWaalsContact C-N 3.26Å; E156-S158 PolarHBondContact O-N 2.88Å; E156-K219 WeakPolarHBondContact OE1-CE 3.34Å; E156-L231 WeakPolarHBondContact OE2-CD2 3.35Å; E156-K235 IonicContact OE1-NZ 3.6Å; E156-K235 WeakPolarHBondContact OE2-CE 3.31Å; E156-K235 IonicContact OE2-NZ 3.33Å; E156-K235 PolarHBondContact OE2-NZ 2.92Å |
| 157 | A | 45.5 | Very low | 45.8 | Very low | 54 Ų | 54 | 104.8 Ų | 104.8 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -73.2 | -16 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L159 T160 S161 | A157-L159 VanDerWaalsContact C-N 3.34Å; A157-L159 PolarHBondContact O-N 3.19Å; A157-T160 WeakPolarHBondContact CA-OG1 3.48Å; A157-T160 PolarHBondContact O-N 2.74Å; A157-T160 PolarHBondContact O-OG1 3.5Å; A157-S161 PolarHBondContact O-N 3.41Å |
| 158 | S | 49 | Very low | 45.3 | Very low | 99 Ų | 99 | 107.7 Ų | 107.7 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -63.4 | -32 | -172.3 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | E156 | E156-S158 VanDerWaalsContact C-N 3.26Å; E156-S158 PolarHBondContact O-N 2.88Å |
| 159 | L | 44.7 | Very low | 45 | Very low | 156 Ų | 156 | 104.2 Ų | 104.2 | 82% | 0.817 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -93.8 | -3 | 175.8 | -66.7 | 173 | 0 | 0 | 0 | 113.7 | A157 | A157-L159 VanDerWaalsContact C-N 3.34Å; A157-L159 PolarHBondContact O-N 3.19Å |
| 160 | T | 47.9 | Very low | 44.6 | Very low | 13 Ų | 13 | 111.6 Ų | 111.6 | 8% | 0.08 | 62% | 0.619 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -96.9 | -7.1 | 177.2 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | A157 S162 M163 V164 P215 F216 | A157-T160 WeakPolarHBondContact CA-OG1 3.48Å; A157-T160 PolarHBondContact O-N 2.74Å; A157-T160 PolarHBondContact O-OG1 3.5Å; T160-S162 PolarHBondContact O-N 3.42Å; T160-S162 VanDerWaalsContact O-N 3.14Å; T160-M163 PolarHBondContact O-N 3.35Å; T160-V164 WeakPolarHBondContact O-CG2 3.39Å; T160-V164 PolarHBondContact O-N 3.35Å; T160-P215 HydrophobicContact CG2-CB 4.16Å; T160-F216 HydrophobicContact CG2-CD1 4.07Å; T160-F216 HydrophobicContact CG2-CE1 3.63Å; T160-F216 HydrophobicContact CG2-CZ 4.08Å |
| 161 | S | 42.5 | Very low | 44.4 | Very low | 70 Ų | 70 | 110.7 Ų | 110.7 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -56.2 | -31.4 | 177.9 | -156.8 | 0 | 0 | 0 | 0 | 112.1 | A157 M163 V164 C165 | A157-S161 PolarHBondContact O-N 3.41Å; S161-M163 VanDerWaalsContact C-N 3.3Å; S161-M163 PolarHBondContact O-N 3.32Å; S161-V164 PolarHBondContact O-N 2.84Å; S161-C165 VanDerWaalsContact O-CB 3.31Å; S161-C165 WeakPolarHBondContact O-CB 3.44Å; S161-C165 PolarHBondContact O-N 3.42Å; S161-C165 PolarHBondContact O-SG 2.95Å |
| 162 | S | 48 | Very low | 43.8 | Very low | 98 Ų | 98 | 109.7 Ų | 109.7 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.5 | -20.6 | 175.2 | -95.9 | 0 | 0 | 0 | 0 | 115.1 | T160 | T160-S162 PolarHBondContact O-N 3.42Å; T160-S162 VanDerWaalsContact O-N 3.14Å |
| 163 | M | 48.5 | Very low | 43.4 | Very low | 123 Ų | 123 | 109 Ų | 109 | 61% | 0.606 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -104.5 | -15.9 | 175.2 | -70.1 | -150.6 | 169.9 | 0 | 0 | 113.5 | T160 S161 C165 A213 | T160-M163 PolarHBondContact O-N 3.35Å; S161-M163 VanDerWaalsContact C-N 3.3Å; S161-M163 PolarHBondContact O-N 3.32Å; M163-C165 VanDerWaalsContact C-N 3.35Å; M163-A213 HydrophobicContact CE-CB 4.32Å |
| 164 | V | 50 | Low | 43 | Very low | 119 Ų | 119 | 111.1 Ų | 111.1 | 72% | 0.721 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -82.6 | -19.7 | 169.9 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | T160 S161 | T160-V164 WeakPolarHBondContact O-CG2 3.39Å; T160-V164 PolarHBondContact O-N 3.35Å; S161-V164 PolarHBondContact O-N 2.84Å |
| 165 | C | 38.6 | Very low | 42.4 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -111.8 | 67 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | S161 M163 | S161-C165 VanDerWaalsContact O-CB 3.31Å; S161-C165 WeakPolarHBondContact O-CB 3.44Å; S161-C165 PolarHBondContact O-N 3.42Å; S161-C165 PolarHBondContact O-SG 2.95Å; M163-C165 VanDerWaalsContact C-N 3.35Å |
| 166 | L | 39.9 | Very low | 41.9 | Very low | 129 Ų | 129 | 108 Ų | 108 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -134.5 | 109.6 | 155.3 | -75 | 174.7 | 0 | 0 | 0 | 109 | ||
| 167 | N | 39.9 | Very low | 41.2 | Very low | 114 Ų | 114 | 112.5 Ų | 112.5 | 61% | 0.61 | 66% | 0.657 | S | S | * | * | trans | 91 | 81.2 | 159.5 | -57.4 | 8.7 | 0 | 0 | 0 | 117 | D169 | N167-D169 HydrophobicContact CB-CB 4.11Å; N167-D169 PolarHBondContact ND2-OD2 2.81Å; N167-D169 PolarHBondContact O-N 2.78Å; N167-D169 PolarHBondContact OD1-OD2 3.4Å | ||
| 168 | S | 37.1 | Very low | 41.1 | Very low | 129 Ų | 129 | 115.1 Ų | 115.1 | 90% | 0.902 | 67% | 0.672 | S | S | * | * | trans | -65.5 | 20.5 | 133.8 | -63.5 | 0 | 0 | 0 | 0 | 113.5 | R170 | S168-R170 VanDerWaalsContact C-N 3.3Å; S168-R170 PolarHBondContact O-N 3.44Å | ||
| 169 | D | 38.1 | Very low | 40.6 | Very low | 116 Ų | 116 | 115.4 Ų | 115.4 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | trans | -72.9 | 99.1 | 168.4 | -63 | -45.2 | 0 | 0 | 0 | 107.1 | N167 A171 | N167-D169 HydrophobicContact CB-CB 4.11Å; N167-D169 PolarHBondContact ND2-OD2 2.81Å; N167-D169 PolarHBondContact O-N 2.78Å; N167-D169 PolarHBondContact OD1-OD2 3.4Å; D169-A171 PolarHBondContact O-N 3.14Å | ||
| 170 | R | 41.3 | Very low | 41 | Very low | 222 Ų | 222 | 114.4 Ų | 114.4 | 84% | 0.838 | 68% | 0.677 | S | S | * | * | trans | -33.9 | 93.5 | 160.1 | -176.2 | 156.3 | -178.4 | 129.3 | -4.6 | 108.2 | S168 E172 | S168-R170 VanDerWaalsContact C-N 3.3Å; S168-R170 PolarHBondContact O-N 3.44Å; R170-E172 PolarHBondContact O-N 3.31Å | ||
| 171 | A | 40.2 | Very low | 41 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | trans | -58.8 | 103.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 104.1 | D169 G173 | D169-A171 PolarHBondContact O-N 3.14Å; A171-G173 PolarHBondContact O-N 2.88Å | ||
| 172 | E | 35.6 | Very low | 41.2 | Very low | 172 Ų | 172 | 126 Ų | 126 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -43.9 | 95.4 | 165.6 | -75.7 | -92.4 | 118.9 | 0 | 0 | 106.1 | R170 V174 | R170-E172 PolarHBondContact O-N 3.31Å; E172-V174 VanDerWaalsContact C-N 3.32Å; E172-V174 PolarHBondContact O-N 3.15Å | ||
| 173 | G | 37.3 | Very low | 42 | Very low | 51 Ų | 51 | 130.8 Ų | 130.8 | 53% | 0.526 | 73% | 0.731 | S | S | . | * | trans | -66 | 104.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 104.2 | A171 T175 | A171-G173 PolarHBondContact O-N 2.88Å; G173-T175 WeakPolarHBondContact O-CG2 3.46Å; G173-T175 PolarHBondContact O-N 3.04Å | ||
| 174 | V | 35.8 | Very low | 42.4 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | trans | -53.2 | 100.6 | 161.5 | 174.3 | 0 | 0 | 0 | 0 | 105.8 | E172 N176 | E172-V174 VanDerWaalsContact C-N 3.32Å; E172-V174 PolarHBondContact O-N 3.15Å; V174-N176 VanDerWaalsContact C-N 3.25Å; V174-N176 WeakPolarHBondContact CG1-OD1 3.44Å; V174-N176 PolarHBondContact O-N 3.44Å | ||
| 175 | T | 36.6 | Very low | 43.4 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | trans | -76.5 | 83 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 106.9 | G173 N177 | G173-T175 WeakPolarHBondContact O-CG2 3.46Å; G173-T175 PolarHBondContact O-N 3.04Å; T175-N177 PolarHBondContact O-N 3.29Å | ||
| 176 | N | 35.2 | Very low | 45.2 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -76.6 | 85 | 163.8 | -71.8 | -12.7 | 0 | 0 | 0 | 107.6 | V174 S178 | V174-N176 VanDerWaalsContact C-N 3.25Å; V174-N176 WeakPolarHBondContact CG1-OD1 3.44Å; V174-N176 PolarHBondContact O-N 3.44Å; N176-S178 PolarHBondContact O-N 2.84Å; N176-S178 VanDerWaalsContact O-N 3.16Å | ||
| 177 | N | 33.4 | Very low | 47.6 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -57.5 | 104.9 | 151.2 | -72 | -20.4 | 0 | 0 | 0 | 106.8 | T175 | T175-N177 PolarHBondContact O-N 3.29Š| ||
| 178 | S | 42.7 | Very low | 50 | Low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | 176.6 | 121.3 | 149.7 | -80 | 0 | 0 | 0 | 0 | 110.2 | N176 | N176-S178 PolarHBondContact O-N 2.84Å; N176-S178 VanDerWaalsContact O-N 3.16Å | ||
| 179 | S | 39 | Very low | 52.6 | Low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | trans | 81 | 111.8 | 159.6 | -58 | 0 | 0 | 0 | 0 | 118.8 | H181 | S179-H181 VanDerWaalsContact C-N 3.28Å; S179-H181 PolarHBondContact O-N 3.2Å; S179-H181 VanDerWaalsContact O-N 3.16Å | ||
| 180 | P | 52.4 | Low | 55.2 | Low | 134 Ų | 134 | 122.4 Ų | 122.4 | 87% | 0.87 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -70.6 | 3.1 | 179.6 | -19 | 31.9 | 0 | 0 | 0 | 117.7 | ||
| 181 | H | 49.8 | Very low | 57.5 | Low | 176 Ų | 176 | 116.8 Ų | 116.8 | 82% | 0.815 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -111.7 | 72.2 | -179.3 | -87.3 | -82.2 | 0 | 0 | 0 | 112.1 | S179 | S179-H181 VanDerWaalsContact C-N 3.28Å; S179-H181 PolarHBondContact O-N 3.2Å; S179-H181 VanDerWaalsContact O-N 3.16Å |
| 182 | Q | 46.6 | Very low | 59.9 | Low | 151 Ų | 151 | 117.1 Ų | 117.1 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | 174 | 92.5 | 152 | -97.1 | 162.1 | 81.2 | 0 | 0 | 108.2 | K184 | Q182-K184 PolarHBondContact O-N 3.4Š| ||
| 183 | F | 63.7 | Low | 62.7 | Low | 199 Ų | 199 | 111.4 Ų | 111.4 | 87% | 0.873 | 62% | 0.623 | S | S | * | * | trans | -69.3 | 82.5 | 166.9 | -166.6 | -93.5 | 0 | 0 | 0 | 108 | P185 | F183-P185 WeakPolarHBondContact O-CD 3.4Š| ||
| 184 | K | 57.6 | Low | 65.3 | Low | 159 Ų | 159 | 111.2 Ų | 111.2 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | trans | -69.7 | 110.1 | 167.4 | -77 | 179.7 | -178.2 | 173.8 | 0 | 106.2 | Q182 K186 | Q182-K184 PolarHBondContact O-N 3.4Å; K184-K186 PolarHBondContact O-N 3.14Å | ||
| 185 | P | 70.5 | Confident | 67.9 | Low | 90 Ų | 90 | 111 Ų | 111 | 58% | 0.584 | 61% | 0.61 | S | S | * | * | trans | -59.4 | 120.6 | 175 | 24.7 | -31.4 | 0 | 0 | 0 | 107.3 | F183 T187 | F183-P185 WeakPolarHBondContact O-CD 3.4Å; P185-T187 PolarHBondContact O-N 3.38Å | ||
| 186 | K | 77.4 | Confident | 70.6 | Confident | 176 Ų | 176 | 111 Ų | 111 | 77% | 0.765 | 61% | 0.605 | S | S | * | * | trans | -58.4 | 114 | 175.3 | -70.6 | -179.7 | -179.6 | -179 | 0 | 107.9 | K184 | K184-K186 PolarHBondContact O-N 3.14Š| ||
| 187 | T | 89.3 | Confident | 73.3 | Confident | 78 Ų | 78 | 106.1 Ų | 106.1 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -100.8 | 142.3 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 109.4 | P185 F197 | P185-T187 PolarHBondContact O-N 3.38Å; T187-F197 CarbonylContact C-O 3.19Å; T187-F197 WeakPolarHBondContact CA-O 3.34Å |
| 188 | F | 89.9 | Confident | 76.1 | Confident | 75 Ų | 75 | 105.3 Ų | 105.3 | 33% | 0.329 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.8 | 175.8 | -62.4 | -90.1 | 0 | 0 | 0 | 107.8 | F197 H200 L203 | F188-F197 HydrophobicContact CB-CB 4.48Å; F188-F197 PolarHBondContact N-O 2.89Å; F188-F197 PolarHBondContact O-N 3.02Å; F188-H200 HydrophobicContact CD1-CB 4.02Å; F188-H200 AromaticContact CD1-CD2 3.83Å; F188-H200 HydrophobicContact CD2-CB 4.35Å; F188-H200 VanDerWaalsContact CD2-N 3.25Å; F188-H200 HydrophobicContact CE1-CB 3.76Å; F188-H200 AromaticContact CE1-CD2 3.96Å; F188-H200 HydrophobicContact CE2-CB 4.11Å; F188-H200 VanDerWaalsContact CE2-N 3.31Å; F188-H200 HydrophobicContact CG-CB 4.3Å; F188-H200 HydrophobicContact CZ-CB 3.8Å; F188-L203 HydrophobicContact CB-CB 4.19Å; F188-L203 HydrophobicContact CB-CD2 3.87Å |
| 189 | S | 93.1 | Very high | 78.4 | Confident | 64 Ų | 64 | 101 Ų | 101 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138 | -179.7 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 190 | C | 92.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 100.3 Ų | 100.3 | 0% | 0 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 124.9 | 169.3 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | D192 G194 K195 F197 L203 H206 H210 | C190-D192 VanDerWaalsContact C-N 3.31Å; C190-D192 PolarHBondContact O-N 2.72Å; C190-G194 VanDerWaalsContact O-CA 3.3Å; C190-G194 WeakPolarHBondContact O-CA 3.23Å; C190-G194 PolarHBondContact O-N 3.08Å; C190-K195 HydrophobicContact CB-CB 4.41Å; C190-K195 PolarHBondContact N-O 3.04Å; C190-F197 HydrophobicContact CB-CE2 4.15Å; C190-L203 HydrophobicContact CB-CD1 3.66Å; C190-H206 VanDerWaalsContact SG-CD2 3.56Å; C190-H206 PolarHBondContact SG-NE2 3.44Å; C190-H206 VanDerWaalsContact SG-NE2 3.38Å; C190-H210 VanDerWaalsContact SG-CD2 3.53Å; C190-H210 PolarHBondContact SG-NE2 2.87Å |
| 191 | P | 90.5 | Very high | 82.7 | Confident | 103 Ų | 103 | 101.1 Ų | 101.1 | 67% | 0.669 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -37.6 | -179.4 | 24.5 | -33.1 | 0 | 0 | 0 | 112.4 | M207 | P191-M207 HydrophobicContact CG-CE 4.34Š|
| 192 | D | 90.6 | Very high | 84.7 | Confident | 99 Ų | 99 | 93.5 Ų | 93.5 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -21.3 | -173.5 | -54.3 | -39.4 | 0 | 0 | 0 | 115.1 | C190 H210 | C190-D192 VanDerWaalsContact C-N 3.31Å; C190-D192 PolarHBondContact O-N 2.72Å; D192-H210 HydrophobicContact CB-CB 4.23Å; D192-H210 VanDerWaalsContact OD2-CB 3.28Å; D192-H210 WeakPolarHBondContact OD2-CB 3.43Å; D192-H210 IonicContact OD2-CD2 3.28Å; D192-H210 PolarHBondContact OD2-CD2 2.9Å; D192-H210 IonicContact OD2-CG 3.74Å; D192-H210 VanDerWaalsContact OD2-CG 3.28Å |
| 193 | C | 93.5 | Very high | 86.8 | Confident | 53 Ų | 53 | 87 Ų | 87 | 36% | 0.358 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | 3 | -177 | 65.2 | 0 | 0 | 0 | 0 | 115.9 | K195 H206 H210 | C193-K195 PolarHBondContact O-N 2.77Å; C193-K195 VanDerWaalsContact SG-CG 3.57Å; C193-H206 PolarHBondContact SG-NE2 3.38Å; C193-H206 VanDerWaalsContact SG-NE2 3.44Å; C193-H210 VanDerWaalsContact SG-CE1 3.56Å; C193-H210 PolarHBondContact SG-NE2 3.05Å |
| 194 | G | 91.1 | Very high | 88.1 | Confident | 46 Ų | 46 | 81.5 Ų | 81.5 | 47% | 0.474 | 43% | 0.429 | S | S | . | . | trans | 65.2 | 7.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | C190 L196 | C190-G194 VanDerWaalsContact O-CA 3.3Å; C190-G194 WeakPolarHBondContact O-CA 3.23Å; C190-G194 PolarHBondContact O-N 3.08Å; G194-L196 PolarHBondContact O-N 3.48Å | ||
| 195 | K | 92.1 | Very high | 89.6 | Confident | 114 Ų | 114 | 79.8 Ų | 79.8 | 50% | 0.496 | 42% | 0.418 | S | S | . | . | trans | -65.3 | 128.9 | 177.4 | -75 | 179.2 | -172.9 | 172.1 | 0 | 110.2 | C190 C193 F197 | C190-K195 HydrophobicContact CB-CB 4.41Å; C190-K195 PolarHBondContact N-O 3.04Å; C193-K195 PolarHBondContact O-N 2.77Å; C193-K195 VanDerWaalsContact SG-CG 3.57Å; K195-F197 HydrophobicContact CB-CE2 3.84Å; K195-F197 HydrophobicContact CB-CZ 4.05Å; K195-F197 WeakPolarHBondContact O-CD2 3.27Å; K195-F197 WeakPolarHBondContact O-CE2 3.48Å | ||
| 196 | L | 93.2 | Very high | 90.6 | Very high | 114 Ų | 114 | 76.4 Ų | 76.4 | 60% | 0.597 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 133.4 | 178.1 | -58.2 | 178 | 0 | 0 | 0 | 111 | G194 | G194-L196 PolarHBondContact O-N 3.48Å |
| 197 | F | 91.8 | Very high | 91.2 | Very high | 38 Ų | 38 | 70.3 Ų | 70.3 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.4 | 175.5 | -62 | -84.5 | 0 | 0 | 0 | 109.9 | T187 F188 C190 K195 A199 N202 L203 H206 | T187-F197 CarbonylContact C-O 3.19Å; T187-F197 WeakPolarHBondContact CA-O 3.34Å; F188-F197 HydrophobicContact CB-CB 4.48Å; F188-F197 PolarHBondContact N-O 2.89Å; F188-F197 PolarHBondContact O-N 3.02Å; C190-F197 HydrophobicContact CB-CE2 4.15Å; K195-F197 HydrophobicContact CB-CE2 3.84Å; K195-F197 HydrophobicContact CB-CZ 4.05Å; K195-F197 WeakPolarHBondContact O-CD2 3.27Å; K195-F197 WeakPolarHBondContact O-CE2 3.48Å; F197-A199 PolarHBondContact O-N 3.45Å; F197-N202 HydrophobicContact CB-CB 4.15Å; F197-N202 HydrophobicContact CD1-CB 3.85Å; F197-N202 HydrophobicContact CG-CB 4.31Å; F197-L203 HydrophobicContact CB-CB 4.23Å; F197-L203 HydrophobicContact CD2-CB 3.81Å; F197-L203 HydrophobicContact CD2-CD1 3.66Å; F197-L203 HydrophobicContact CD2-CG 4.33Å; F197-L203 HydrophobicContact CE2-CD1 3.75Å; F197-L203 HydrophobicContact CG-CB 4.12Å; F197-H206 HydrophobicContact CE1-CB 3.86Å; F197-H206 HydrophobicContact CE2-CB 3.97Å; F197-H206 AromaticContact CE2-CD2 3.74Å; F197-H206 AromaticContact CE2-CG 3.76Å; F197-H206 HydrophobicContact CZ-CB 3.38Å; F197-H206 AromaticContact CZ-CD2 3.69Å; F197-H206 AromaticContact CZ-CG 3.24Å; F197-H206 AromaticContact CZ-ND1 3.66Å |
| 198 | N | 92.3 | Very high | 91.4 | Very high | 127 Ų | 127 | 67.1 Ų | 67.1 | 68% | 0.679 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -78.6 | -4.6 | 176.7 | 61.1 | -22 | 0 | 0 | 0 | 113.7 | N202 | N198-N202 PolarHBondContact OD1-ND2 2.84Å; N198-N202 VanDerWaalsContact OD1-ND2 3.1Å |
| 199 | A | 90.4 | Very high | 91.5 | Very high | 19 Ų | 19 | 66.5 Ų | 66.5 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -152.9 | 145 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F197 Y201 N202 L203 | F197-A199 PolarHBondContact O-N 3.45Å; A199-Y201 VanDerWaalsContact C-N 3.34Å; A199-Y201 HydrophobicContact CB-CD1 3.5Å; A199-Y201 VanDerWaalsContact CB-CD1 3.5Å; A199-Y201 HydrophobicContact CB-CE1 3.24Å; A199-Y201 HydrophobicContact CB-CG 4.49Å; A199-Y201 PolarHBondContact O-N 3.3Å; A199-N202 WeakPolarHBondContact O-CB 3.42Å; A199-N202 PolarHBondContact O-N 3.05Å; A199-N202 VanDerWaalsContact O-N 3.09Å; A199-L203 PolarHBondContact O-N 3.33Å |
| 200 | H | 90.2 | Very high | 91.4 | Very high | 91 Ų | 91 | 66.8 Ų | 66.8 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | -179.6 | -174.7 | -107.9 | 0 | 0 | 0 | 112.5 | F188 N202 L203 M204 | F188-H200 HydrophobicContact CD1-CB 4.02Å; F188-H200 AromaticContact CD1-CD2 3.83Å; F188-H200 HydrophobicContact CD2-CB 4.35Å; F188-H200 VanDerWaalsContact CD2-N 3.25Å; F188-H200 HydrophobicContact CE1-CB 3.76Å; F188-H200 AromaticContact CE1-CD2 3.96Å; F188-H200 HydrophobicContact CE2-CB 4.11Å; F188-H200 VanDerWaalsContact CE2-N 3.31Å; F188-H200 HydrophobicContact CG-CB 4.3Å; F188-H200 HydrophobicContact CZ-CB 3.8Å; H200-N202 PolarHBondContact O-N 3.34Å; H200-L203 WeakPolarHBondContact O-CB 3.21Å; H200-L203 PolarHBondContact O-N 2.92Å; H200-M204 PolarHBondContact O-N 3.24Å |
| 201 | Y | 90.3 | Very high | 91.3 | Very high | 151 Ų | 151 | 71.4 Ų | 71.4 | 59% | 0.592 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.5 | -29.4 | 179 | 77.8 | -93.1 | 0 | 0 | 0 | 113 | A199 R205 | A199-Y201 VanDerWaalsContact C-N 3.34Å; A199-Y201 HydrophobicContact CB-CD1 3.5Å; A199-Y201 VanDerWaalsContact CB-CD1 3.5Å; A199-Y201 HydrophobicContact CB-CE1 3.24Å; A199-Y201 HydrophobicContact CB-CG 4.49Å; A199-Y201 PolarHBondContact O-N 3.3Å; Y201-R205 WeakPolarHBondContact O-CB 3.42Å; Y201-R205 PolarHBondContact O-N 3.36Å |
| 202 | N | 91.7 | Very high | 91.3 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.9 | -38.7 | 175.8 | -77 | -39.2 | 0 | 0 | 0 | 111.2 | F197 N198 A199 H200 R205 H206 | F197-N202 HydrophobicContact CB-CB 4.15Å; F197-N202 HydrophobicContact CD1-CB 3.85Å; F197-N202 HydrophobicContact CG-CB 4.31Å; N198-N202 PolarHBondContact OD1-ND2 2.84Å; N198-N202 VanDerWaalsContact OD1-ND2 3.1Å; A199-N202 WeakPolarHBondContact O-CB 3.42Å; A199-N202 PolarHBondContact O-N 3.05Å; A199-N202 VanDerWaalsContact O-N 3.09Å; H200-N202 PolarHBondContact O-N 3.34Å; N202-R205 PolarHBondContact OD1-NH2 2.9Å; N202-H206 WeakPolarHBondContact O-CB 3.3Å; N202-H206 PolarHBondContact O-N 3.18Å; N202-H206 VanDerWaalsContact O-N 3.11Å |
| 203 | L | 91 | Very high | 91.2 | Very high | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -49.3 | 172.3 | 173.1 | 62.2 | 0 | 0 | 0 | 110.6 | F188 C190 F197 A199 H200 R205 H206 M207 | F188-L203 HydrophobicContact CB-CB 4.19Å; F188-L203 HydrophobicContact CB-CD2 3.87Å; C190-L203 HydrophobicContact CB-CD1 3.66Å; F197-L203 HydrophobicContact CB-CB 4.23Å; F197-L203 HydrophobicContact CD2-CB 3.81Å; F197-L203 HydrophobicContact CD2-CD1 3.66Å; F197-L203 HydrophobicContact CD2-CG 4.33Å; F197-L203 HydrophobicContact CE2-CD1 3.75Å; F197-L203 HydrophobicContact CG-CB 4.12Å; A199-L203 PolarHBondContact O-N 3.33Å; H200-L203 WeakPolarHBondContact O-CB 3.21Å; H200-L203 PolarHBondContact O-N 2.92Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.99Å; L203-H206 CarbonylContact O-C 3.54Å; L203-H206 WeakPolarHBondContact O-CA 3.09Å; L203-H206 VanDerWaalsContact O-CB 3.31Å; L203-H206 WeakPolarHBondContact O-CB 3.35Å; L203-H206 PolarHBondContact O-N 3.33Å; L203-M207 HydrophobicContact CD1-SD 3.96Å; L203-M207 HydrophobicContact CG-SD 4.41Å; L203-M207 WeakPolarHBondContact O-CG 3.46Å; L203-M207 PolarHBondContact O-N 3.42Å |
| 204 | M | 90.7 | Very high | 91.1 | Very high | 84 Ų | 84 | 69.7 Ų | 69.7 | 41% | 0.414 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.2 | -41.9 | 177.5 | -69.3 | -60.9 | 103.4 | 0 | 0 | 112.3 | H200 H206 M207 P208 | H200-M204 PolarHBondContact O-N 3.24Å; M204-H206 PolarHBondContact O-N 3.02Å; M204-M207 HydrophobicContact CE-CG 4.05Å; M204-M207 PolarHBondContact O-N 3.38Å; M204-P208 WeakPolarHBondContact O-CD 3.39Å |
| 205 | R | 90 | Very high | 90.9 | Very high | 124 Ų | 124 | 69.5 Ų | 69.5 | 47% | 0.468 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.7 | -20.7 | 174.6 | -168.6 | -179.4 | 65 | -161.7 | -8.3 | 113.5 | Y201 N202 L203 Q227 | Y201-R205 WeakPolarHBondContact O-CB 3.42Å; Y201-R205 PolarHBondContact O-N 3.36Å; N202-R205 PolarHBondContact OD1-NH2 2.9Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.99Å; R205-Q227 HydrophobicContact CG-CG 3.83Å |
| 206 | H | 91.3 | Very high | 90.8 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -85 | -32.4 | 176.1 | 166.7 | 81.3 | 0 | 0 | 0 | 112.5 | C190 C193 F197 N202 L203 M204 P208 V209 H210 | C190-H206 VanDerWaalsContact SG-CD2 3.56Å; C190-H206 PolarHBondContact SG-NE2 3.44Å; C190-H206 VanDerWaalsContact SG-NE2 3.38Å; C193-H206 PolarHBondContact SG-NE2 3.38Å; C193-H206 VanDerWaalsContact SG-NE2 3.44Å; F197-H206 HydrophobicContact CE1-CB 3.86Å; F197-H206 HydrophobicContact CE2-CB 3.97Å; F197-H206 AromaticContact CE2-CD2 3.74Å; F197-H206 AromaticContact CE2-CG 3.76Å; F197-H206 HydrophobicContact CZ-CB 3.38Å; F197-H206 AromaticContact CZ-CD2 3.69Å; F197-H206 AromaticContact CZ-CG 3.24Å; F197-H206 AromaticContact CZ-ND1 3.66Å; N202-H206 WeakPolarHBondContact O-CB 3.3Å; N202-H206 PolarHBondContact O-N 3.18Å; N202-H206 VanDerWaalsContact O-N 3.11Å; L203-H206 CarbonylContact O-C 3.54Å; L203-H206 WeakPolarHBondContact O-CA 3.09Å; L203-H206 VanDerWaalsContact O-CB 3.31Å; L203-H206 WeakPolarHBondContact O-CB 3.35Å; L203-H206 PolarHBondContact O-N 3.33Å; M204-H206 PolarHBondContact O-N 3.02Å; H206-P208 VanDerWaalsContact C-N 3.29Å; H206-P208 VanDerWaalsContact O-N 3.08Å; H206-V209 WeakPolarHBondContact O-CB 3.28Å; H206-V209 WeakPolarHBondContact O-CG2 3.45Å; H206-V209 PolarHBondContact O-N 2.73Å; H206-H210 AromaticContact CD2-NE2 3.95Å; H206-H210 AromaticContact CE1-NE2 3.58Å; H206-H210 AromaticContact NE2-CD2 3.47Å; H206-H210 PolarHBondContact NE2-CD2 2.84Å; H206-H210 AromaticContact NE2-NE2 2.9Å; H206-H210 PolarHBondContact NE2-NE2 3.04Å |
| 207 | M | 90.9 | Very high | 90.8 | Very high | 48 Ų | 48 | 65.3 Ų | 65.3 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -47.6 | -39.2 | -178.2 | -63.9 | -54.3 | -68.8 | 0 | 0 | 115.2 | P191 L203 M204 V209 H210 | P191-M207 HydrophobicContact CG-CE 4.34Å; L203-M207 HydrophobicContact CD1-SD 3.96Å; L203-M207 HydrophobicContact CG-SD 4.41Å; L203-M207 WeakPolarHBondContact O-CG 3.46Å; L203-M207 PolarHBondContact O-N 3.42Å; M204-M207 HydrophobicContact CE-CG 4.05Å; M204-M207 PolarHBondContact O-N 3.38Å; M207-V209 PolarHBondContact O-N 3.34Å; M207-H210 PolarHBondContact O-N 2.91Å |
| 208 | P | 92.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 63.6 Ų | 63.6 | 7% | 0.065 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -61.7 | -9.1 | 175.8 | -24.3 | 35 | 0 | 0 | 0 | 115.4 | M204 H206 G212 A213 R226 | M204-P208 WeakPolarHBondContact O-CD 3.39Å; H206-P208 VanDerWaalsContact C-N 3.29Å; H206-P208 VanDerWaalsContact O-N 3.08Å; P208-G212 PolarHBondContact O-N 2.96Å; P208-A213 HydrophobicContact CB-CB 4.32Å; P208-A213 WeakPolarHBondContact CB-O 3.3Å; P208-R226 HydrophobicContact CB-CB 4.23Å; P208-R226 HydrophobicContact CB-CG 4.01Å; P208-R226 PolarHBondContact O-NE 2.82Å |
| 209 | V | 92.1 | Very high | 90.8 | Very high | 63 Ų | 63 | 65.4 Ų | 65.4 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -67.5 | -37.8 | 171.5 | 176.2 | 0 | 0 | 0 | 0 | 111 | H206 M207 | H206-V209 WeakPolarHBondContact O-CB 3.28Å; H206-V209 WeakPolarHBondContact O-CG2 3.45Å; H206-V209 PolarHBondContact O-N 2.73Å; M207-V209 PolarHBondContact O-N 3.34Å |
| 210 | H | 91.8 | Very high | 90.7 | Very high | 70 Ų | 70 | 70.6 Ų | 70.6 | 32% | 0.324 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -46.3 | -177.6 | -65.2 | -63.2 | 0 | 0 | 0 | 112.6 | C190 D192 C193 H206 M207 G212 | C190-H210 VanDerWaalsContact SG-CD2 3.53Å; C190-H210 PolarHBondContact SG-NE2 2.87Å; D192-H210 HydrophobicContact CB-CB 4.23Å; D192-H210 VanDerWaalsContact OD2-CB 3.28Å; D192-H210 WeakPolarHBondContact OD2-CB 3.43Å; D192-H210 IonicContact OD2-CD2 3.28Å; D192-H210 PolarHBondContact OD2-CD2 2.9Å; D192-H210 IonicContact OD2-CG 3.74Å; D192-H210 VanDerWaalsContact OD2-CG 3.28Å; C193-H210 VanDerWaalsContact SG-CE1 3.56Å; C193-H210 PolarHBondContact SG-NE2 3.05Å; H206-H210 AromaticContact CD2-NE2 3.95Å; H206-H210 AromaticContact CE1-NE2 3.58Å; H206-H210 AromaticContact NE2-CD2 3.47Å; H206-H210 PolarHBondContact NE2-CD2 2.84Å; H206-H210 AromaticContact NE2-NE2 2.9Å; H206-H210 PolarHBondContact NE2-NE2 3.04Å; M207-H210 PolarHBondContact O-N 2.91Å; H210-G212 PolarHBondContact O-N 3.2Å |
| 211 | T | 90 | Very high | 90.8 | Very high | 97 Ų | 97 | 68.8 Ų | 68.8 | 60% | 0.595 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -72.3 | -11.4 | 179.7 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | A213 | T211-A213 PolarHBondContact O-N 2.93Å; T211-A213 VanDerWaalsContact O-N 3.1Å; T211-A213 WeakPolarHBondContact OG1-CB 3.39Å; T211-A213 PolarHBondContact OG1-N 3.48Å |
| 212 | G | 89.4 | Confident | 90.9 | Very high | 42 Ų | 42 | 64.2 Ų | 64.2 | 43% | 0.433 | 34% | 0.344 | S | S | . | . | trans | 68 | 2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P208 H210 R214 | P208-G212 PolarHBondContact O-N 2.96Å; H210-G212 PolarHBondContact O-N 3.2Å; G212-R214 PolarHBondContact O-N 3.47Å | ||
| 213 | A | 90.1 | Very high | 90.8 | Very high | 25 Ų | 25 | 69.5 Ų | 69.5 | 21% | 0.207 | 37% | 0.366 | C | S | . | . | trans | -59 | 136.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M163 P208 T211 P215 | M163-A213 HydrophobicContact CE-CB 4.32Å; P208-A213 HydrophobicContact CB-CB 4.32Å; P208-A213 WeakPolarHBondContact CB-O 3.3Å; T211-A213 PolarHBondContact O-N 2.93Å; T211-A213 VanDerWaalsContact O-N 3.1Å; T211-A213 WeakPolarHBondContact OG1-CB 3.39Å; T211-A213 PolarHBondContact OG1-N 3.48Å; A213-P215 VanDerWaalsContact C-CD 3.48Å | ||
| 214 | R | 90.3 | Very high | 90.9 | Very high | 152 Ų | 152 | 69.5 Ų | 69.5 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | trans | -129.5 | 69.1 | 179.9 | -76.4 | 171.5 | 135.5 | 156.5 | 2.8 | 109.4 | G212 F216 G224 F225 | G212-R214 PolarHBondContact O-N 3.47Å; R214-F216 PolarHBondContact O-N 3.39Å; R214-F216 VanDerWaalsContact O-N 3.1Å; R214-G224 WeakPolarHBondContact CD-O 3.08Å; R214-G224 PolarHBondContact NE-O 2.94Å; R214-F225 CarbonylContact C-O 3.56Å; R214-F225 VanDerWaalsContact C-O 3.25Å; R214-F225 WeakPolarHBondContact CA-O 3.46Å | ||
| 215 | P | 87.2 | Confident | 90.9 | Very high | 41 Ų | 41 | 67.4 Ų | 67.4 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | trans | -62.6 | -21.1 | -170.8 | 22.2 | -32.3 | 0 | 0 | 0 | 113.9 | T160 A213 | T160-P215 HydrophobicContact CG2-CB 4.16Å; A213-P215 VanDerWaalsContact C-CD 3.48Å | ||
| 216 | F | 90.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 66.3 Ų | 66.3 | 20% | 0.197 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 100.2 | -177.2 | -56.4 | -79.2 | 0 | 0 | 0 | 110.7 | T160 R214 G224 F225 R226 A228 L231 | T160-F216 HydrophobicContact CG2-CD1 4.07Å; T160-F216 HydrophobicContact CG2-CE1 3.63Å; T160-F216 HydrophobicContact CG2-CZ 4.08Å; R214-F216 PolarHBondContact O-N 3.39Å; R214-F216 VanDerWaalsContact O-N 3.1Å; F216-G224 CarbonylContact O-C 3.34Å; F216-G224 WeakPolarHBondContact O-CA 3.27Å; F216-F225 HydrophobicContact CB-CB 4.22Å; F216-F225 PolarHBondContact N-O 3.43Å; F216-F225 VanDerWaalsContact N-O 3.08Å; F216-F225 PolarHBondContact O-N 3.2Å; F216-R226 WeakPolarHBondContact CE2-O 3.49Å; F216-A228 HydrophobicContact CD1-CB 3.8Å; F216-A228 VanDerWaalsContact CD2-N 3.31Å; F216-A228 HydrophobicContact CE1-CB 3.54Å; F216-A228 HydrophobicContact CE2-CB 4.48Å; F216-A228 VanDerWaalsContact CE2-N 3.35Å; F216-A228 HydrophobicContact CG-CB 4.38Å; F216-A228 HydrophobicContact CZ-CB 3.91Å; F216-L231 HydrophobicContact CB-CB 4Å; F216-L231 HydrophobicContact CB-CD2 3.78Å |
| 217 | I | 92.3 | Very high | 90.8 | Very high | 96 Ų | 96 | 68.2 Ų | 68.2 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132.9 | -175.9 | -56.9 | 174.1 | 0 | 0 | 0 | 110.5 | K219 | I217-K219 PolarHBondContact O-N 3.49Å |
| 218 | C | 91.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | trans | -76.8 | 114.6 | 170.9 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | L220 C221 G222 K223 F225 L231 H238 | C218-L220 PolarHBondContact O-N 3.4Å; C218-C221 PolarHBondContact O-N 2.7Å; C218-G222 VanDerWaalsContact O-CA 3.27Å; C218-G222 WeakPolarHBondContact O-CA 3.46Å; C218-G222 PolarHBondContact O-N 2.83Å; C218-K223 PolarHBondContact N-O 2.99Å; C218-F225 HydrophobicContact CB-CE2 4.29Å; C218-L231 HydrophobicContact CB-CD1 3.53Å; C218-H238 PolarHBondContact SG-NE2 2.96Å; C218-H238 VanDerWaalsContact SG-NE2 3.42Å | ||
| 219 | K | 91.5 | Very high | 90.6 | Very high | 166 Ų | 166 | 71.5 Ų | 71.5 | 72% | 0.722 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.9 | 178.2 | -62 | -177.5 | -176.2 | 179.4 | 0 | 114.3 | E156 I217 | E156-K219 WeakPolarHBondContact OE1-CE 3.34Å; I217-K219 PolarHBondContact O-N 3.49Å |
| 220 | L | 90.2 | Very high | 90.6 | Very high | 127 Ų | 127 | 69.9 Ų | 69.9 | 67% | 0.665 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -26.9 | -177.7 | -64.9 | 175.3 | 0 | 0 | 0 | 114.1 | C218 H238 | C218-L220 PolarHBondContact O-N 3.4Å; L220-H238 HydrophobicContact CD1-CB 3.53Å |
| 221 | C | 92.5 | Very high | 90.6 | Very high | 53 Ų | 53 | 66.8 Ų | 66.8 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | 5 | -178.8 | 65.9 | 0 | 0 | 0 | 0 | 115.2 | C218 K223 H234 H238 | C218-C221 PolarHBondContact O-N 2.7Å; C221-K223 PolarHBondContact O-N 3.14Å; C221-K223 VanDerWaalsContact O-N 3.12Å; C221-K223 VanDerWaalsContact SG-CG 3.57Å; C221-H234 PolarHBondContact SG-NE2 3.09Å; C221-H238 PolarHBondContact SG-NE2 2.72Å; C221-H238 VanDerWaalsContact SG-NE2 3.35Å |
| 222 | G | 91 | Very high | 90.6 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 58% | 0.577 | 35% | 0.346 | S | S | * | . | trans | 68 | 3.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C218 G224 | C218-G222 VanDerWaalsContact O-CA 3.27Å; C218-G222 WeakPolarHBondContact O-CA 3.46Å; C218-G222 PolarHBondContact O-N 2.83Å; G222-G224 PolarHBondContact O-N 3.37Å | ||
| 223 | K | 91.2 | Very high | 90.7 | Very high | 127 Ų | 127 | 66 Ų | 66 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | trans | -71.4 | 122.1 | -178.4 | -72.6 | -176.2 | -178.5 | -173.8 | 0 | 111.3 | C218 C221 F225 | C218-K223 PolarHBondContact N-O 2.99Å; C221-K223 PolarHBondContact O-N 3.14Å; C221-K223 VanDerWaalsContact O-N 3.12Å; C221-K223 VanDerWaalsContact SG-CG 3.57Å; K223-F225 HydrophobicContact CB-CE2 3.91Å; K223-F225 HydrophobicContact CB-CZ 4.13Å; K223-F225 WeakPolarHBondContact O-CD2 3.22Å; K223-F225 VanDerWaalsContact O-CE2 3.24Å; K223-F225 WeakPolarHBondContact O-CE2 3.34Å | ||
| 224 | G | 91.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 65.8 Ų | 65.8 | 13% | 0.134 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 144.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R214 F216 G222 | R214-G224 WeakPolarHBondContact CD-O 3.08Å; R214-G224 PolarHBondContact NE-O 2.94Å; F216-G224 CarbonylContact O-C 3.34Å; F216-G224 WeakPolarHBondContact O-CA 3.27Å; G222-G224 PolarHBondContact O-N 3.37Å |
| 225 | F | 90.6 | Very high | 90.7 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 18% | 0.18 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.3 | 179.7 | -62.5 | -88.2 | 0 | 0 | 0 | 111.3 | R214 F216 C218 K223 T230 L231 H234 | R214-F225 CarbonylContact C-O 3.56Å; R214-F225 VanDerWaalsContact C-O 3.25Å; R214-F225 WeakPolarHBondContact CA-O 3.46Å; F216-F225 HydrophobicContact CB-CB 4.22Å; F216-F225 PolarHBondContact N-O 3.43Å; F216-F225 VanDerWaalsContact N-O 3.08Å; F216-F225 PolarHBondContact O-N 3.2Å; C218-F225 HydrophobicContact CB-CE2 4.29Å; K223-F225 HydrophobicContact CB-CE2 3.91Å; K223-F225 HydrophobicContact CB-CZ 4.13Å; K223-F225 WeakPolarHBondContact O-CD2 3.22Å; K223-F225 VanDerWaalsContact O-CE2 3.24Å; K223-F225 WeakPolarHBondContact O-CE2 3.34Å; F225-T230 WeakPolarHBondContact CB-OG1 3.27Å; F225-L231 HydrophobicContact CB-CB 4.21Å; F225-L231 HydrophobicContact CD2-CB 3.86Å; F225-L231 HydrophobicContact CD2-CD1 3.68Å; F225-L231 HydrophobicContact CD2-CG 4.35Å; F225-L231 HydrophobicContact CE2-CD1 3.84Å; F225-L231 HydrophobicContact CG-CB 4.16Å; F225-H234 HydrophobicContact CE1-CB 3.92Å; F225-H234 HydrophobicContact CE2-CB 3.91Å; F225-H234 AromaticContact CE2-CD2 3.36Å; F225-H234 WeakPolarHBondContact CE2-CD2 3.36Å; F225-H234 AromaticContact CE2-CG 3.6Å; F225-H234 AromaticContact CE2-NE2 3.95Å; F225-H234 HydrophobicContact CZ-CB 3.44Å; F225-H234 VanDerWaalsContact CZ-CB 3.44Å; F225-H234 AromaticContact CZ-CD2 3.42Å; F225-H234 VanDerWaalsContact CZ-CD2 3.42Å; F225-H234 WeakPolarHBondContact CZ-CD2 3.47Å; F225-H234 AromaticContact CZ-CG 3.17Å; F225-H234 AromaticContact CZ-ND1 3.59Å; F225-H234 AromaticContact CZ-NE2 3.9Å |
| 226 | R | 90.9 | Very high | 90.8 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -79.5 | -18.5 | 177.7 | -66.3 | -176 | 177.1 | 105.3 | -3.5 | 113.5 | P208 F216 | P208-R226 HydrophobicContact CB-CB 4.23Å; P208-R226 HydrophobicContact CB-CG 4.01Å; P208-R226 PolarHBondContact O-NE 2.82Å; F216-R226 WeakPolarHBondContact CE2-O 3.49Å |
| 227 | Q | 89.4 | Confident | 90.8 | Very high | 59 Ų | 59 | 62.9 Ų | 62.9 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -138.6 | 138.2 | -174.6 | -61.4 | 177.5 | 2.4 | 0 | 0 | 111.4 | R205 S229 T230 L231 | R205-Q227 HydrophobicContact CG-CG 3.83Å; Q227-S229 VanDerWaalsContact C-N 3.3Å; Q227-S229 PolarHBondContact O-N 2.97Å; Q227-T230 HydrophobicContact CB-CG2 4.08Å; Q227-T230 PolarHBondContact O-N 3.32Å; Q227-T230 PolarHBondContact O-OG1 3.16Å; Q227-L231 PolarHBondContact O-N 2.65Å; Q227-L231 VanDerWaalsContact O-N 3.16Å |
| 228 | A | 90 | Very high | 90.6 | Very high | 52 Ų | 52 | 61.1 Ų | 61.1 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.9 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | F216 T230 L231 C232 | F216-A228 HydrophobicContact CD1-CB 3.8Å; F216-A228 VanDerWaalsContact CD2-N 3.31Å; F216-A228 HydrophobicContact CE1-CB 3.54Å; F216-A228 HydrophobicContact CE2-CB 4.48Å; F216-A228 VanDerWaalsContact CE2-N 3.35Å; F216-A228 HydrophobicContact CG-CB 4.38Å; F216-A228 HydrophobicContact CZ-CB 3.91Å; A228-T230 PolarHBondContact O-N 3.13Å; A228-L231 PolarHBondContact O-N 3.23Å; A228-L231 VanDerWaalsContact O-N 3.13Å; A228-C232 WeakPolarHBondContact O-CB 3.35Å; A228-C232 PolarHBondContact O-N 3.03Å |
| 229 | S | 89.4 | Confident | 90.5 | Very high | 75 Ų | 75 | 64.8 Ų | 64.8 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.9 | -33.4 | 178.8 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | Q227 R233 | Q227-S229 VanDerWaalsContact C-N 3.3Å; Q227-S229 PolarHBondContact O-N 2.97Å; S229-R233 WeakPolarHBondContact O-CB 3.37Å; S229-R233 PolarHBondContact O-N 2.87Å; S229-R233 VanDerWaalsContact O-N 3.09Å |
| 230 | T | 91.2 | Very high | 90.2 | Very high | 30 Ų | 30 | 64.3 Ų | 64.3 | 18% | 0.184 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.5 | -37 | 177 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | F225 Q227 A228 H234 | F225-T230 WeakPolarHBondContact CB-OG1 3.27Å; Q227-T230 HydrophobicContact CB-CG2 4.08Å; Q227-T230 PolarHBondContact O-N 3.32Å; Q227-T230 PolarHBondContact O-OG1 3.16Å; A228-T230 PolarHBondContact O-N 3.13Å; T230-H234 WeakPolarHBondContact O-CB 3.24Å; T230-H234 PolarHBondContact O-N 3.11Å |
| 231 | L | 92 | Very high | 90 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 171.3 | 170.7 | 60.8 | 0 | 0 | 0 | 110.8 | E156 F216 C218 F225 Q227 A228 R233 H234 K235 | E156-L231 WeakPolarHBondContact OE2-CD2 3.35Å; F216-L231 HydrophobicContact CB-CB 4Å; F216-L231 HydrophobicContact CB-CD2 3.78Å; C218-L231 HydrophobicContact CB-CD1 3.53Å; F225-L231 HydrophobicContact CB-CB 4.21Å; F225-L231 HydrophobicContact CD2-CB 3.86Å; F225-L231 HydrophobicContact CD2-CD1 3.68Å; F225-L231 HydrophobicContact CD2-CG 4.35Å; F225-L231 HydrophobicContact CE2-CD1 3.84Å; F225-L231 HydrophobicContact CG-CB 4.16Å; Q227-L231 PolarHBondContact O-N 2.65Å; Q227-L231 VanDerWaalsContact O-N 3.16Å; A228-L231 PolarHBondContact O-N 3.23Å; A228-L231 VanDerWaalsContact O-N 3.13Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.06Å; L231-H234 WeakPolarHBondContact O-CA 3.42Å; L231-H234 VanDerWaalsContact O-CB 3.3Å; L231-H234 WeakPolarHBondContact O-CB 3.29Å; L231-H234 PolarHBondContact O-N 3.32Å; L231-K235 PolarHBondContact O-N 2.52Å |
| 232 | C | 90.4 | Very high | 89.8 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 10% | 0.095 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.7 | -49.1 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | C152 A228 H234 K235 | C152-C232 HydrophobicContact CB-CB 3.64Å; C152-C232 WeakPolarHBondContact CB-SG 3.02Å; C152-C232 WeakPolarHBondContact SG-CA 3.38Å; C152-C232 WeakPolarHBondContact SG-CB 3.43Å; C152-C232 CovalentContact SG-SG 2.03Å; C152-C232 PolarHBondContact SG-SG 3.29Å; A228-C232 WeakPolarHBondContact O-CB 3.35Å; A228-C232 PolarHBondContact O-N 3.03Å; C232-H234 VanDerWaalsContact C-N 3.25Å; C232-H234 PolarHBondContact O-N 3.3Å; C232-K235 WeakPolarHBondContact O-CB 3.41Å; C232-K235 PolarHBondContact O-N 2.94Å |
| 233 | R | 90.2 | Very high | 89.7 | Confident | 109 Ų | 109 | 67.4 Ų | 67.4 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.8 | -33.5 | 174.4 | -178.4 | 174 | 62.9 | -151.5 | -1.3 | 112.7 | S229 L231 I236 | S229-R233 WeakPolarHBondContact O-CB 3.37Å; S229-R233 PolarHBondContact O-N 2.87Å; S229-R233 VanDerWaalsContact O-N 3.09Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.06Å; R233-I236 WeakPolarHBondContact O-CB 3.49Å |
| 234 | H | 91.8 | Very high | 89.7 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.8 | -35.4 | 177.4 | 166.2 | 72.6 | 0 | 0 | 0 | 112.5 | C221 F225 T230 L231 C232 I236 I237 H238 | C221-H234 PolarHBondContact SG-NE2 3.09Å; F225-H234 HydrophobicContact CE1-CB 3.92Å; F225-H234 HydrophobicContact CE2-CB 3.91Å; F225-H234 AromaticContact CE2-CD2 3.36Å; F225-H234 WeakPolarHBondContact CE2-CD2 3.36Å; F225-H234 AromaticContact CE2-CG 3.6Å; F225-H234 AromaticContact CE2-NE2 3.95Å; F225-H234 HydrophobicContact CZ-CB 3.44Å; F225-H234 VanDerWaalsContact CZ-CB 3.44Å; F225-H234 AromaticContact CZ-CD2 3.42Å; F225-H234 VanDerWaalsContact CZ-CD2 3.42Å; F225-H234 WeakPolarHBondContact CZ-CD2 3.47Å; F225-H234 AromaticContact CZ-CG 3.17Å; F225-H234 AromaticContact CZ-ND1 3.59Å; F225-H234 AromaticContact CZ-NE2 3.9Å; T230-H234 WeakPolarHBondContact O-CB 3.24Å; T230-H234 PolarHBondContact O-N 3.11Å; L231-H234 WeakPolarHBondContact O-CA 3.42Å; L231-H234 VanDerWaalsContact O-CB 3.3Å; L231-H234 WeakPolarHBondContact O-CB 3.29Å; L231-H234 PolarHBondContact O-N 3.32Å; C232-H234 VanDerWaalsContact C-N 3.25Å; C232-H234 PolarHBondContact O-N 3.3Å; H234-I236 PolarHBondContact O-N 3.19Å; H234-I236 VanDerWaalsContact O-N 3.1Å; H234-I237 VanDerWaalsContact O-CB 3.29Å; H234-I237 WeakPolarHBondContact O-CB 3.35Å; H234-I237 PolarHBondContact O-N 3.05Å; H234-H238 AromaticContact CE1-NE2 3.82Å; H234-H238 AromaticContact NE2-CD2 4Å; H234-H238 AromaticContact NE2-NE2 3.32Å; H234-H238 PolarHBondContact NE2-NE2 2.78Å |
| 235 | K | 89.8 | Confident | 89.9 | Confident | 69 Ų | 69 | 69.7 Ų | 69.7 | 30% | 0.3 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.5 | -29.9 | 178.7 | -68.9 | -177.4 | -179.3 | -178.1 | 0 | 113.2 | E156 L231 C232 I237 H238 T239 | E156-K235 IonicContact OE1-NZ 3.6Å; E156-K235 WeakPolarHBondContact OE2-CE 3.31Å; E156-K235 IonicContact OE2-NZ 3.33Å; E156-K235 PolarHBondContact OE2-NZ 2.92Å; L231-K235 PolarHBondContact O-N 2.52Å; C232-K235 WeakPolarHBondContact O-CB 3.41Å; C232-K235 PolarHBondContact O-N 2.94Å; K235-I237 PolarHBondContact O-N 3.05Å; K235-I237 VanDerWaalsContact O-N 3.14Å; K235-H238 WeakPolarHBondContact O-CB 3.33Å; K235-H238 PolarHBondContact O-N 3.31Å; K235-T239 PolarHBondContact O-N 2.89Å |
| 236 | I | 89.5 | Confident | 90.1 | Very high | 21 Ų | 21 | 67.9 Ų | 67.9 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.3 | -26.8 | 175.4 | -55.6 | 170.2 | 0 | 0 | 0 | 112.3 | L149 R233 H234 H238 T239 H240 E241 N254 | L149-I236 HydrophobicContact CD1-CD1 3.88Å; R233-I236 WeakPolarHBondContact O-CB 3.49Å; H234-I236 PolarHBondContact O-N 3.19Å; H234-I236 VanDerWaalsContact O-N 3.1Å; I236-H238 VanDerWaalsContact C-N 3.29Å; I236-H238 PolarHBondContact O-N 3.47Å; I236-T239 PolarHBondContact O-OG1 3.36Å; I236-H240 PolarHBondContact O-N 3.19Å; I236-E241 HydrophobicContact CG2-CB 4.46Å; I236-E241 WeakPolarHBondContact CG2-O 3.5Å; I236-N254 HydrophobicContact CG2-CB 4Å |
| 237 | I | 89.3 | Confident | 90.2 | Very high | 87 Ų | 87 | 71.3 Ų | 71.3 | 45% | 0.446 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.6 | -32.4 | 177.1 | -61.2 | 171.6 | 0 | 0 | 0 | 110.8 | H234 K235 | H234-I237 VanDerWaalsContact O-CB 3.29Å; H234-I237 WeakPolarHBondContact O-CB 3.35Å; H234-I237 PolarHBondContact O-N 3.05Å; K235-I237 PolarHBondContact O-N 3.05Å; K235-I237 VanDerWaalsContact O-N 3.14Å |
| 238 | H | 89.8 | Confident | 90.3 | Very high | 60 Ų | 60 | 73.4 Ų | 73.4 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -76.8 | -35.5 | 179 | -68.4 | -61.9 | 0 | 0 | 0 | 113 | C218 L220 C221 H234 K235 I236 H240 | C218-H238 PolarHBondContact SG-NE2 2.96Å; C218-H238 VanDerWaalsContact SG-NE2 3.42Å; L220-H238 HydrophobicContact CD1-CB 3.53Å; C221-H238 PolarHBondContact SG-NE2 2.72Å; C221-H238 VanDerWaalsContact SG-NE2 3.35Å; H234-H238 AromaticContact CE1-NE2 3.82Å; H234-H238 AromaticContact NE2-CD2 4Å; H234-H238 AromaticContact NE2-NE2 3.32Å; H234-H238 PolarHBondContact NE2-NE2 2.78Å; K235-H238 WeakPolarHBondContact O-CB 3.33Å; K235-H238 PolarHBondContact O-N 3.31Å; I236-H238 VanDerWaalsContact C-N 3.29Å; I236-H238 PolarHBondContact O-N 3.47Å; H238-H240 PolarHBondContact O-CD2 2.76Å; H238-H240 PolarHBondContact O-N 3.25Å |
| 239 | T | 88.3 | Confident | 90.5 | Very high | 78 Ų | 78 | 73.5 Ų | 73.5 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -76.9 | -10.6 | 176.2 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | K235 I236 E241 | K235-T239 PolarHBondContact O-N 2.89Å; I236-T239 PolarHBondContact O-OG1 3.36Å; T239-E241 PolarHBondContact O-N 2.78Å; T239-E241 WeakPolarHBondContact OG1-CB 3.22Å; T239-E241 WeakPolarHBondContact OG1-CG 3.45Å; T239-E241 PolarHBondContact OG1-N 3.13Å |
| 240 | H | 85.5 | Confident | 90.7 | Very high | 156 Ų | 156 | 72.5 Ų | 72.5 | 72% | 0.722 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 15.4 | -170.5 | -64.3 | -81.7 | 0 | 0 | 0 | 114 | I236 H238 | I236-H240 PolarHBondContact O-N 3.19Å; H238-H240 PolarHBondContact O-CD2 2.76Å; H238-H240 PolarHBondContact O-N 3.25Å |
| 241 | E | 86.3 | Confident | 90.8 | Very high | 112 Ų | 112 | 77 Ų | 77 | 52% | 0.523 | 39% | 0.39 | S | S | . | . | trans | -68.7 | 137.2 | 179.8 | -73.4 | -179.7 | 166 | 0 | 0 | 110.4 | I236 T239 P243 | I236-E241 HydrophobicContact CG2-CB 4.46Å; I236-E241 WeakPolarHBondContact CG2-O 3.5Å; T239-E241 PolarHBondContact O-N 2.78Å; T239-E241 WeakPolarHBondContact OG1-CB 3.22Å; T239-E241 WeakPolarHBondContact OG1-CG 3.45Å; T239-E241 PolarHBondContact OG1-N 3.13Å; E241-P243 WeakPolarHBondContact O-CD 3.44Å | ||
| 242 | K | 89 | Confident | 90.8 | Very high | 121 Ų | 121 | 78.1 Ų | 78.1 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | trans | -126.4 | 76 | 179.8 | -68.9 | 170.6 | 172 | -164 | 0 | 109 | H244 A252 F253 | K242-H244 PolarHBondContact O-N 3.16Å; K242-H244 VanDerWaalsContact O-N 3.16Å; K242-A252 HydrophobicContact CB-CB 3.38Å; K242-A252 HydrophobicContact CD-CB 3.98Å; K242-A252 WeakPolarHBondContact CD-O 3.38Å; K242-A252 HydrophobicContact CG-CB 4.3Å; K242-F253 CarbonylContact C-O 3.53Å; K242-F253 WeakPolarHBondContact CA-O 2.91Å | ||
| 243 | P | 87.8 | Confident | 90.9 | Very high | 68 Ų | 68 | 79.6 Ų | 79.6 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | trans | -64.4 | -21.7 | -172.4 | 23.4 | -33.4 | 0 | 0 | 0 | 113.3 | E241 | E241-P243 WeakPolarHBondContact O-CD 3.44Š| ||
| 244 | H | 92.3 | Very high | 90.9 | Very high | 40 Ų | 40 | 77.4 Ų | 77.4 | 19% | 0.185 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 93.7 | -175.2 | -56.2 | -69.5 | 0 | 0 | 0 | 111 | K242 A252 F253 S256 L259 | K242-H244 PolarHBondContact O-N 3.16Å; K242-H244 VanDerWaalsContact O-N 3.16Å; H244-A252 CarbonylContact O-C 3.53Å; H244-A252 WeakPolarHBondContact O-CA 3.49Å; H244-F253 HydrophobicContact CB-CB 4.37Å; H244-F253 WeakPolarHBondContact CB-O 3.36Å; H244-F253 PolarHBondContact N-O 2.03Å; H244-F253 PolarHBondContact O-N 3.1Å; H244-S256 PolarHBondContact CD2-N 2.94Å; H244-S256 PolarHBondContact NE2-N 3.14Å; H244-L259 HydrophobicContact CB-CB 4.02Å; H244-L259 HydrophobicContact CB-CD2 3.81Å |
| 245 | K | 94.3 | Very high | 90.9 | Very high | 147 Ų | 147 | 81.4 Ų | 81.4 | 64% | 0.639 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.8 | 179.1 | -60.8 | -174.5 | 179.7 | 179 | 0 | 111.7 | A252 | K245-A252 HydrophobicContact CG-CB 3.79Å |
| 246 | C | 94.1 | Very high | 91 | Very high | 3 Ų | 3 | 81.2 Ų | 81.2 | 2% | 0.02 | 42% | 0.423 | C | S | . | . | trans | -76.5 | 122.8 | 168 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | T248 G250 K251 F253 L259 H262 | C246-T248 VanDerWaalsContact C-N 3.29Å; C246-T248 PolarHBondContact O-N 2.78Å; C246-T248 PolarHBondContact SG-N 3.24Å; C246-G250 WeakPolarHBondContact O-CA 3.35Å; C246-G250 PolarHBondContact O-N 3.06Å; C246-K251 WeakPolarHBondContact CB-O 3.19Å; C246-K251 PolarHBondContact N-O 3.23Å; C246-F253 HydrophobicContact CB-CE2 4.46Å; C246-L259 HydrophobicContact CB-CD1 3.67Å; C246-H262 PolarHBondContact SG-NE2 3.36Å | ||
| 247 | Q | 93.8 | Very high | 91.1 | Very high | 172 Ų | 172 | 82.6 Ų | 82.6 | 80% | 0.804 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -26.2 | 179.1 | -69.1 | 176.5 | -20.4 | 0 | 0 | 112.6 | ||
| 248 | T | 92 | Very high | 91.3 | Very high | 104 Ų | 104 | 80.4 Ų | 80.4 | 64% | 0.638 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -38.6 | -177.8 | -45.9 | 0 | 0 | 0 | 0 | 113.3 | C246 H266 | C246-T248 VanDerWaalsContact C-N 3.29Å; C246-T248 PolarHBondContact O-N 2.78Å; C246-T248 PolarHBondContact SG-N 3.24Å; T248-H266 HydrophobicContact CG2-CB 4.34Å |
| 249 | C | 94.5 | Very high | 91.5 | Very high | 53 Ų | 53 | 78.6 Ų | 78.6 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 5.8 | -176.4 | 70.2 | 0 | 0 | 0 | 0 | 114.9 | K251 H262 H266 | C249-K251 PolarHBondContact O-N 3.42Å; C249-K251 VanDerWaalsContact SG-CG 3.54Å; C249-H262 VanDerWaalsContact SG-CE1 3.6Å; C249-H262 PolarHBondContact SG-NE2 3.36Å; C249-H266 PolarHBondContact SG-NE2 2.97Å |
| 250 | G | 92.5 | Very high | 91.8 | Very high | 55 Ų | 55 | 79.4 Ų | 79.4 | 57% | 0.567 | 42% | 0.419 | S | S | * | . | trans | 69.9 | -6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | C246 A252 | C246-G250 WeakPolarHBondContact O-CA 3.35Å; C246-G250 PolarHBondContact O-N 3.06Å; G250-A252 PolarHBondContact O-N 2.9Å | ||
| 251 | K | 93.6 | Very high | 92.2 | Very high | 124 Ų | 124 | 73.2 Ų | 73.2 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | trans | -63.3 | 129.6 | -178.7 | -71.7 | -177.3 | -168.3 | -63.9 | 0 | 111.1 | C246 C249 F253 | C246-K251 WeakPolarHBondContact CB-O 3.19Å; C246-K251 PolarHBondContact N-O 3.23Å; C249-K251 PolarHBondContact O-N 3.42Å; C249-K251 VanDerWaalsContact SG-CG 3.54Å; K251-F253 HydrophobicContact CB-CE2 3.99Å; K251-F253 HydrophobicContact CB-CZ 4.11Å; K251-F253 WeakPolarHBondContact O-CE2 3.42Å | ||
| 252 | A | 93 | Very high | 92.5 | Very high | 27 Ų | 27 | 68.9 Ų | 68.9 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 143.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K242 H244 K245 G250 | K242-A252 HydrophobicContact CB-CB 3.38Å; K242-A252 HydrophobicContact CD-CB 3.98Å; K242-A252 WeakPolarHBondContact CD-O 3.38Å; K242-A252 HydrophobicContact CG-CB 4.3Å; H244-A252 CarbonylContact O-C 3.53Å; H244-A252 WeakPolarHBondContact O-CA 3.49Å; K245-A252 HydrophobicContact CG-CB 3.79Å; G250-A252 PolarHBondContact O-N 2.9Å |
| 253 | F | 91.6 | Very high | 92.8 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 20% | 0.202 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.4 | -177.8 | -57.8 | -88.8 | 0 | 0 | 0 | 111.5 | K242 H244 C246 K251 R255 T258 L259 H262 | K242-F253 CarbonylContact C-O 3.53Å; K242-F253 WeakPolarHBondContact CA-O 2.91Å; H244-F253 HydrophobicContact CB-CB 4.37Å; H244-F253 WeakPolarHBondContact CB-O 3.36Å; H244-F253 PolarHBondContact N-O 2.03Å; H244-F253 PolarHBondContact O-N 3.1Å; C246-F253 HydrophobicContact CB-CE2 4.46Å; K251-F253 HydrophobicContact CB-CE2 3.99Å; K251-F253 HydrophobicContact CB-CZ 4.11Å; K251-F253 WeakPolarHBondContact O-CE2 3.42Å; F253-R255 VanDerWaalsContact C-N 3.32Å; F253-T258 WeakPolarHBondContact CB-OG1 3.3Å; F253-L259 HydrophobicContact CB-CB 4.45Å; F253-L259 HydrophobicContact CD2-CB 3.97Å; F253-L259 HydrophobicContact CD2-CD1 3.8Å; F253-L259 HydrophobicContact CD2-CG 4.49Å; F253-L259 HydrophobicContact CE2-CD1 3.96Å; F253-L259 HydrophobicContact CG-CB 4.42Å; F253-H262 HydrophobicContact CE1-CB 4.16Å; F253-H262 HydrophobicContact CE2-CB 3.89Å; F253-H262 AromaticContact CE2-CD2 3.35Å; F253-H262 WeakPolarHBondContact CE2-CD2 3.49Å; F253-H262 AromaticContact CE2-CG 3.58Å; F253-H262 AromaticContact CE2-NE2 3.93Å; F253-H262 HydrophobicContact CZ-CB 3.53Å; F253-H262 AromaticContact CZ-CD2 3.53Å; F253-H262 AromaticContact CZ-CG 3.27Å; F253-H262 AromaticContact CZ-ND1 3.67Å |
| 254 | N | 91.3 | Very high | 93.2 | Very high | 62 Ų | 62 | 64.4 Ų | 64.4 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -82.4 | -8.7 | 176 | 62.9 | 7.5 | 0 | 0 | 0 | 113.5 | I236 | I236-N254 HydrophobicContact CG2-CB 4Š|
| 255 | R | 91.1 | Very high | 93.3 | Very high | 105 Ų | 105 | 67 Ų | 67 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | trans | -135.2 | 138.2 | 178.9 | -64.2 | 171.7 | 63.7 | 172.2 | 1.6 | 111.6 | F253 S257 T258 L259 | F253-R255 VanDerWaalsContact C-N 3.32Å; R255-S257 VanDerWaalsContact C-N 3.28Å; R255-S257 PolarHBondContact NE-OG 3.4Å; R255-S257 PolarHBondContact NH2-OG 3.5Å; R255-S257 PolarHBondContact O-N 3.38Å; R255-T258 HydrophobicContact CB-CG2 4.21Å; R255-T258 WeakPolarHBondContact CB-OG1 3.43Å; R255-T258 PolarHBondContact O-N 3.48Å; R255-T258 PolarHBondContact O-OG1 3.45Å; R255-L259 PolarHBondContact O-N 3.09Å; R255-L259 VanDerWaalsContact O-N 3.11Å | ||
| 256 | S | 92.2 | Very high | 93.2 | Very high | 64 Ų | 64 | 63.7 Ų | 63.7 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 172.4 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | H244 T258 L259 N260 | H244-S256 PolarHBondContact CD2-N 2.94Å; H244-S256 PolarHBondContact NE2-N 3.14Å; S256-T258 VanDerWaalsContact C-N 3.28Å; S256-T258 PolarHBondContact O-N 3.4Å; S256-L259 WeakPolarHBondContact O-CB 3.43Å; S256-L259 PolarHBondContact O-N 2.75Å; S256-L259 VanDerWaalsContact O-N 3.16Å; S256-N260 PolarHBondContact O-N 3.29Å |
| 257 | S | 91.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 69.7 Ų | 69.7 | 35% | 0.35 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.1 | -37.3 | 177.4 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | R255 T261 | R255-S257 VanDerWaalsContact C-N 3.28Å; R255-S257 PolarHBondContact NE-OG 3.4Å; R255-S257 PolarHBondContact NH2-OG 3.5Å; R255-S257 PolarHBondContact O-N 3.38Å; S257-T261 WeakPolarHBondContact O-CG2 3.29Å; S257-T261 PolarHBondContact O-N 2.98Å; S257-T261 PolarHBondContact O-OG1 3.24Å |
| 258 | T | 93.6 | Very high | 93.1 | Very high | 42 Ų | 42 | 63.6 Ų | 63.6 | 26% | 0.258 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73.5 | -36.9 | 177.1 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | F253 R255 S256 T261 H262 | F253-T258 WeakPolarHBondContact CB-OG1 3.3Å; R255-T258 HydrophobicContact CB-CG2 4.21Å; R255-T258 WeakPolarHBondContact CB-OG1 3.43Å; R255-T258 PolarHBondContact O-N 3.48Å; R255-T258 PolarHBondContact O-OG1 3.45Å; S256-T258 VanDerWaalsContact C-N 3.28Å; S256-T258 PolarHBondContact O-N 3.4Å; T258-T261 WeakPolarHBondContact CA-OG1 3.45Å; T258-T261 PolarHBondContact O-N 3.11Å; T258-T261 PolarHBondContact O-OG1 3.36Å; T258-H262 VanDerWaalsContact O-CB 3.32Å; T258-H262 WeakPolarHBondContact O-CB 3.3Å; T258-H262 PolarHBondContact O-N 2.94Å |
| 259 | L | 93.5 | Very high | 93.2 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 171 | 173.9 | 62 | 0 | 0 | 0 | 110.7 | H244 C246 F253 R255 S256 T261 H262 I263 | H244-L259 HydrophobicContact CB-CB 4.02Å; H244-L259 HydrophobicContact CB-CD2 3.81Å; C246-L259 HydrophobicContact CB-CD1 3.67Å; F253-L259 HydrophobicContact CB-CB 4.45Å; F253-L259 HydrophobicContact CD2-CB 3.97Å; F253-L259 HydrophobicContact CD2-CD1 3.8Å; F253-L259 HydrophobicContact CD2-CG 4.49Å; F253-L259 HydrophobicContact CE2-CD1 3.96Å; F253-L259 HydrophobicContact CG-CB 4.42Å; R255-L259 PolarHBondContact O-N 3.09Å; R255-L259 VanDerWaalsContact O-N 3.11Å; S256-L259 WeakPolarHBondContact O-CB 3.43Å; S256-L259 PolarHBondContact O-N 2.75Å; S256-L259 VanDerWaalsContact O-N 3.16Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-T261 PolarHBondContact O-N 3.38Å; L259-H262 CarbonylContact O-C 3.57Å; L259-H262 WeakPolarHBondContact O-CA 3.39Å; L259-H262 WeakPolarHBondContact O-CB 3.42Å; L259-H262 PolarHBondContact O-N 3.09Å; L259-I263 HydrophobicContact CD1-CD1 4.03Å; L259-I263 HydrophobicContact CD1-CG1 4Å; L259-I263 HydrophobicContact CD2-CD1 4.46Å; L259-I263 HydrophobicContact CG-CD1 3.85Å; L259-I263 HydrophobicContact CG-CG1 4.3Å; L259-I263 WeakPolarHBondContact O-CG1 3.36Å; L259-I263 PolarHBondContact O-N 3.1Å |
| 260 | N | 93.6 | Very high | 93.2 | Very high | 95 Ų | 95 | 67 Ų | 67 | 51% | 0.508 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 178.2 | -73.2 | -8.7 | 0 | 0 | 0 | 113 | S256 H262 R264 | S256-N260 PolarHBondContact O-N 3.29Å; N260-H262 VanDerWaalsContact C-N 3.28Å; N260-R264 PolarHBondContact O-NE 2.85Å |
| 261 | T | 93.5 | Very high | 93.2 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 17% | 0.166 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.8 | -30.9 | 170.9 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | S257 T258 L259 Q283 | S257-T261 WeakPolarHBondContact O-CG2 3.29Å; S257-T261 PolarHBondContact O-N 2.98Å; S257-T261 PolarHBondContact O-OG1 3.24Å; T258-T261 WeakPolarHBondContact CA-OG1 3.45Å; T258-T261 PolarHBondContact O-N 3.11Å; T258-T261 PolarHBondContact O-OG1 3.36Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-T261 PolarHBondContact O-N 3.38Å; T261-Q283 HydrophobicContact CG2-CG 4.04Å |
| 262 | H | 94.6 | Very high | 93.3 | Very high | 20 Ų | 20 | 63.3 Ų | 63.3 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -76.7 | -41.1 | 179.7 | 165.9 | 72.8 | 0 | 0 | 0 | 112.2 | C246 C249 F253 T258 L259 N260 R264 I265 H266 | C246-H262 PolarHBondContact SG-NE2 3.36Å; C249-H262 VanDerWaalsContact SG-CE1 3.6Å; C249-H262 PolarHBondContact SG-NE2 3.36Å; F253-H262 HydrophobicContact CE1-CB 4.16Å; F253-H262 HydrophobicContact CE2-CB 3.89Å; F253-H262 AromaticContact CE2-CD2 3.35Å; F253-H262 WeakPolarHBondContact CE2-CD2 3.49Å; F253-H262 AromaticContact CE2-CG 3.58Å; F253-H262 AromaticContact CE2-NE2 3.93Å; F253-H262 HydrophobicContact CZ-CB 3.53Å; F253-H262 AromaticContact CZ-CD2 3.53Å; F253-H262 AromaticContact CZ-CG 3.27Å; F253-H262 AromaticContact CZ-ND1 3.67Å; T258-H262 VanDerWaalsContact O-CB 3.32Å; T258-H262 WeakPolarHBondContact O-CB 3.3Å; T258-H262 PolarHBondContact O-N 2.94Å; L259-H262 CarbonylContact O-C 3.57Å; L259-H262 WeakPolarHBondContact O-CA 3.39Å; L259-H262 WeakPolarHBondContact O-CB 3.42Å; L259-H262 PolarHBondContact O-N 3.09Å; N260-H262 VanDerWaalsContact C-N 3.28Å; H262-R264 PolarHBondContact O-N 2.89Å; H262-R264 VanDerWaalsContact O-N 3.16Å; H262-I265 WeakPolarHBondContact O-CB 3.33Å; H262-I265 WeakPolarHBondContact O-CG1 3.34Å; H262-I265 PolarHBondContact O-N 3.48Å; H262-H266 AromaticContact CE1-NE2 3.49Å; H262-H266 PolarHBondContact CE1-NE2 3.12Å; H262-H266 AromaticContact NE2-CD2 3.81Å; H262-H266 AromaticContact NE2-NE2 3.22Å; H262-H266 PolarHBondContact NE2-NE2 3.19Å |
| 263 | I | 94.8 | Very high | 93.5 | Very high | 37 Ų | 37 | 65.6 Ų | 65.6 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.9 | -34.1 | 175.8 | -68.8 | 166.2 | 0 | 0 | 0 | 111.1 | L259 I265 H266 L267 | L259-I263 HydrophobicContact CD1-CD1 4.03Å; L259-I263 HydrophobicContact CD1-CG1 4Å; L259-I263 HydrophobicContact CD2-CD1 4.46Å; L259-I263 HydrophobicContact CG-CD1 3.85Å; L259-I263 HydrophobicContact CG-CG1 4.3Å; L259-I263 WeakPolarHBondContact O-CG1 3.36Å; L259-I263 PolarHBondContact O-N 3.1Å; I263-I265 PolarHBondContact O-N 3.48Å; I263-I265 VanDerWaalsContact O-N 3.11Å; I263-H266 WeakPolarHBondContact O-CB 3.47Å; I263-H266 PolarHBondContact O-N 3.23Å; I263-L267 HydrophobicContact CG2-CD1 4.06Å; I263-L267 HydrophobicContact CG2-CG 4.31Å; I263-L267 PolarHBondContact O-N 3.41Å; I263-L267 VanDerWaalsContact O-N 3.13Å |
| 264 | R | 95.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 22% | 0.223 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.9 | -21.9 | 174.2 | -72.3 | -175.1 | -102.8 | 171.9 | -6.6 | 114.4 | N260 H262 G268 Y269 H282 | N260-R264 PolarHBondContact O-NE 2.85Å; H262-R264 PolarHBondContact O-N 2.89Å; H262-R264 VanDerWaalsContact O-N 3.16Å; R264-G268 CarbonylContact O-C 3.55Å; R264-G268 PolarHBondContact O-N 3.23Å; R264-Y269 HydrophobicContact CG-CD1 4.05Å; R264-Y269 PolarHBondContact O-N 3.47Å; R264-H282 HydrophobicContact CB-CB 4.45Å; R264-H282 PolarHBondContact NH1-O 2.69Å; R264-H282 PolarHBondContact O-CE1 2.72Å; R264-H282 PolarHBondContact O-ND1 3.2Å |
| 265 | I | 93.9 | Very high | 93.7 | Very high | 95 Ų | 95 | 68.4 Ų | 68.4 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.5 | -45.5 | 174.1 | -58 | 171.9 | 0 | 0 | 0 | 109.6 | H262 I263 L267 G268 | H262-I265 WeakPolarHBondContact O-CB 3.33Å; H262-I265 WeakPolarHBondContact O-CG1 3.34Å; H262-I265 PolarHBondContact O-N 3.48Å; I263-I265 PolarHBondContact O-N 3.48Å; I263-I265 VanDerWaalsContact O-N 3.11Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 3.4Å; I265-G268 PolarHBondContact O-N 2.92Å; I265-G268 VanDerWaalsContact O-N 3.09Å |
| 266 | H | 93.7 | Very high | 93.7 | Very high | 76 Ų | 76 | 69.9 Ų | 69.9 | 35% | 0.352 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.8 | -67.1 | -58.6 | 0 | 0 | 0 | 112.5 | T248 C249 H262 I263 G268 | T248-H266 HydrophobicContact CG2-CB 4.34Å; C249-H266 PolarHBondContact SG-NE2 2.97Å; H262-H266 AromaticContact CE1-NE2 3.49Å; H262-H266 PolarHBondContact CE1-NE2 3.12Å; H262-H266 AromaticContact NE2-CD2 3.81Å; H262-H266 AromaticContact NE2-NE2 3.22Å; H262-H266 PolarHBondContact NE2-NE2 3.19Å; I263-H266 WeakPolarHBondContact O-CB 3.47Å; I263-H266 PolarHBondContact O-N 3.23Å; H266-G268 PolarHBondContact O-N 3.2Å |
| 267 | L | 93 | Very high | 93.7 | Very high | 130 Ų | 130 | 69.9 Ų | 69.9 | 68% | 0.681 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -5.2 | 176.8 | -60.1 | 177 | 0 | 0 | 0 | 113.4 | I263 I265 Y269 | I263-L267 HydrophobicContact CG2-CD1 4.06Å; I263-L267 HydrophobicContact CG2-CG 4.31Å; I263-L267 PolarHBondContact O-N 3.41Å; I263-L267 VanDerWaalsContact O-N 3.13Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 3.4Å; L267-Y269 PolarHBondContact O-N 3.03Å |
| 268 | G | 92.7 | Very high | 93.8 | Very high | 44 Ų | 44 | 70.1 Ų | 70.1 | 45% | 0.454 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R264 I265 H266 K270 | R264-G268 CarbonylContact O-C 3.55Å; R264-G268 PolarHBondContact O-N 3.23Å; I265-G268 PolarHBondContact O-N 2.92Å; I265-G268 VanDerWaalsContact O-N 3.09Å; H266-G268 PolarHBondContact O-N 3.2Å; G268-K270 PolarHBondContact O-N 2.98Å |
| 269 | Y | 93 | Very high | 93.9 | Very high | 135 Ų | 135 | 74 Ų | 74 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | trans | -76.4 | 118.7 | -169.5 | -177.3 | -120 | 0 | 0 | 0 | 112.1 | R264 L267 P271 H282 | R264-Y269 HydrophobicContact CG-CD1 4.05Å; R264-Y269 PolarHBondContact O-N 3.47Å; L267-Y269 PolarHBondContact O-N 3.03Å; Y269-P271 HydrophobicContact CD1-CG 4.36Å; Y269-P271 HydrophobicContact CE1-CB 3.78Å; Y269-P271 HydrophobicContact CE1-CG 3.96Å; Y269-P271 WeakPolarHBondContact O-CD 3.4Å; Y269-H282 PolarHBondContact O-ND1 3.37Å | ||
| 270 | K | 94.8 | Very high | 93.9 | Very high | 92 Ų | 92 | 73.8 Ų | 73.8 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | trans | -121.2 | 84.3 | -176 | -69.6 | 160.9 | -179.3 | -66.5 | 0 | 109.5 | G268 F272 G280 F281 H282 | G268-K270 PolarHBondContact O-N 2.98Å; K270-F272 PolarHBondContact O-N 2.93Å; K270-F272 VanDerWaalsContact O-N 3.17Å; K270-G280 WeakPolarHBondContact CD-O 3.45Å; K270-G280 PolarHBondContact NZ-O 2.76Å; K270-F281 CarbonylContact C-O 3.5Å; K270-F281 WeakPolarHBondContact CA-O 3.42Å; K270-H282 VanDerWaalsContact CG-CE1 3.44Å; K270-H282 WeakPolarHBondContact CG-CE1 3.47Å; K270-H282 PolarHBondContact NZ-NE2 2.96Å; K270-H282 VanDerWaalsContact NZ-NE2 3.2Å | ||
| 271 | P | 92.9 | Very high | 94 | Very high | 46 Ų | 46 | 70.8 Ų | 70.8 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | trans | -67.3 | -16.5 | -174.3 | 23.8 | -32.2 | 0 | 0 | 0 | 114 | Y269 | Y269-P271 HydrophobicContact CD1-CG 4.36Å; Y269-P271 HydrophobicContact CE1-CB 3.78Å; Y269-P271 HydrophobicContact CE1-CG 3.96Å; Y269-P271 WeakPolarHBondContact O-CD 3.4Å | ||
| 272 | F | 96.4 | Very high | 94 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 103.5 | -179 | -51.9 | -74.5 | 0 | 0 | 0 | 109.4 | K270 G280 F281 Q283 K284 Y287 | K270-F272 PolarHBondContact O-N 2.93Å; K270-F272 VanDerWaalsContact O-N 3.17Å; F272-G280 CarbonylContact O-C 3.55Å; F272-G280 WeakPolarHBondContact O-CA 3.31Å; F272-F281 HydrophobicContact CB-CB 4.37Å; F272-F281 PolarHBondContact N-O 3.11Å; F272-F281 PolarHBondContact O-N 3.4Å; F272-Q283 VanDerWaalsContact CD2-C 3.44Å; F272-K284 HydrophobicContact CD1-CB 4.36Å; F272-K284 HydrophobicContact CD1-CG 4.39Å; F272-K284 HydrophobicContact CD2-CB 4.39Å; F272-K284 HydrophobicContact CE1-CB 3.85Å; F272-K284 HydrophobicContact CE1-CD 4.3Å; F272-K284 HydrophobicContact CE1-CG 3.98Å; F272-K284 HydrophobicContact CE2-CB 3.89Å; F272-K284 HydrophobicContact CZ-CB 3.61Å; F272-K284 HydrophobicContact CZ-CG 4.24Å; F272-Y287 HydrophobicContact CB-CD1 3.91Å; F272-Y287 HydrophobicContact CB-CD2 4.28Å; F272-Y287 HydrophobicContact CB-CG 3.64Å; F272-Y287 HydrophobicContact CD1-CD1 4.35Å; F272-Y287 HydrophobicContact CG-CD1 4.42Å; F272-Y287 HydrophobicContact CG-CG 4.47Å |
| 273 | V | 95.9 | Very high | 94.1 | Very high | 75 Ų | 75 | 74.5 Ų | 74.5 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.5 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | G278 | V273-G278 WeakPolarHBondContact CG1-O 3.39Å |
| 274 | C | 94.8 | Very high | 94 | Very high | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.007 | 41% | 0.409 | C | S | . | . | trans | -77.4 | 120.3 | 171.8 | -175 | 0 | 0 | 0 | 0 | 110.6 | F276 C277 G278 K279 Y287 H290 H294 | C274-F276 VanDerWaalsContact C-N 3.26Å; C274-F276 PolarHBondContact O-N 3.18Å; C274-C277 PolarHBondContact O-N 3.21Å; C274-G278 WeakPolarHBondContact O-CA 3.47Å; C274-G278 PolarHBondContact O-N 3.22Å; C274-K279 PolarHBondContact N-O 3.09Å; C274-Y287 HydrophobicContact CB-CE2 4.05Å; C274-H290 WeakPolarHBondContact CB-NE2 3.38Å; C274-H290 PolarHBondContact SG-NE2 3.16Å; C274-H294 PolarHBondContact SG-CD2 3.22Å; C274-H294 PolarHBondContact SG-NE2 3.45Å | ||
| 275 | E | 93 | Very high | 93.8 | Very high | 167 Ų | 167 | 79.4 Ų | 79.4 | 78% | 0.78 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -30.9 | 178.7 | -68 | 163.1 | -169.6 | 0 | 0 | 112.4 | ||
| 276 | F | 90.2 | Very high | 93.8 | Very high | 135 Ų | 135 | 79.1 Ų | 79.1 | 59% | 0.592 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -29.8 | -178.4 | -62.8 | -72.2 | 0 | 0 | 0 | 114.5 | C274 H294 | C274-F276 VanDerWaalsContact C-N 3.26Å; C274-F276 PolarHBondContact O-N 3.18Å; F276-H294 HydrophobicContact CD2-CB 4.43Å |
| 277 | C | 94 | Very high | 93.8 | Very high | 65 Ų | 65 | 77.5 Ų | 77.5 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | 5.7 | -175.1 | 70.1 | 0 | 0 | 0 | 0 | 115 | C274 K279 H290 H294 | C274-C277 PolarHBondContact O-N 3.21Å; C277-K279 PolarHBondContact O-N 2.72Å; C277-K279 VanDerWaalsContact SG-CB 3.54Å; C277-H290 PolarHBondContact SG-NE2 3.33Å; C277-H294 PolarHBondContact SG-NE2 3.37Å |
| 278 | G | 93.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 78.3 Ų | 78.3 | 57% | 0.567 | 41% | 0.411 | S | S | * | . | trans | 68.2 | 1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V273 C274 G280 | V273-G278 WeakPolarHBondContact CG1-O 3.39Å; C274-G278 WeakPolarHBondContact O-CA 3.47Å; C274-G278 PolarHBondContact O-N 3.22Å; G278-G280 PolarHBondContact O-N 3.05Å | ||
| 279 | K | 95 | Very high | 93.6 | Very high | 124 Ų | 124 | 78.1 Ų | 78.1 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | trans | -72.4 | 123.1 | -174.2 | -164.4 | 168.7 | -174.5 | 172.6 | 0 | 111.7 | C274 C277 F281 | C274-K279 PolarHBondContact N-O 3.09Å; C277-K279 PolarHBondContact O-N 2.72Å; C277-K279 VanDerWaalsContact SG-CB 3.54Å; K279-F281 HydrophobicContact CB-CE2 4.06Å; K279-F281 HydrophobicContact CB-CZ 4.32Å; K279-F281 HydrophobicContact CD-CE2 4.48Å; K279-F281 HydrophobicContact CD-CZ 3.92Å; K279-F281 HydrophobicContact CG-CE2 4Å; K279-F281 HydrophobicContact CG-CZ 3.89Å; K279-F281 WeakPolarHBondContact O-CD2 3.44Å; K279-F281 VanDerWaalsContact O-CE2 3.24Å; K279-F281 WeakPolarHBondContact O-CE2 3.5Å | ||
| 280 | G | 94.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 72.9 Ų | 72.9 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | K270 F272 G278 | K270-G280 WeakPolarHBondContact CD-O 3.45Å; K270-G280 PolarHBondContact NZ-O 2.76Å; F272-G280 CarbonylContact O-C 3.55Å; F272-G280 WeakPolarHBondContact O-CA 3.31Å; G278-G280 PolarHBondContact O-N 3.05Å |
| 281 | F | 95.2 | Very high | 93.3 | Very high | 32 Ų | 32 | 72.3 Ų | 72.3 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.7 | -178.1 | -59.5 | -92.7 | 0 | 0 | 0 | 112.4 | K270 F272 K279 N286 Y287 H290 | K270-F281 CarbonylContact C-O 3.5Å; K270-F281 WeakPolarHBondContact CA-O 3.42Å; F272-F281 HydrophobicContact CB-CB 4.37Å; F272-F281 PolarHBondContact N-O 3.11Å; F272-F281 PolarHBondContact O-N 3.4Å; K279-F281 HydrophobicContact CB-CE2 4.06Å; K279-F281 HydrophobicContact CB-CZ 4.32Å; K279-F281 HydrophobicContact CD-CE2 4.48Å; K279-F281 HydrophobicContact CD-CZ 3.92Å; K279-F281 HydrophobicContact CG-CE2 4Å; K279-F281 HydrophobicContact CG-CZ 3.89Å; K279-F281 WeakPolarHBondContact O-CD2 3.44Å; K279-F281 VanDerWaalsContact O-CE2 3.24Å; K279-F281 WeakPolarHBondContact O-CE2 3.5Å; F281-N286 HydrophobicContact CD1-CB 3.98Å; F281-Y287 AromaticContact CD2-CD2 3.97Å; F281-Y287 HydrophobicContact CD2-CD2 3.97Å; F281-Y287 HydrophobicContact CE2-CD2 4.34Å; F281-H290 HydrophobicContact CE1-CB 3.89Å; F281-H290 HydrophobicContact CE2-CB 3.86Å; F281-H290 AromaticContact CE2-CD2 3.24Å; F281-H290 WeakPolarHBondContact CE2-CD2 3.48Å; F281-H290 AromaticContact CE2-CG 3.6Å; F281-H290 AromaticContact CE2-NE2 3.97Å; F281-H290 HydrophobicContact CZ-CB 3.36Å; F281-H290 AromaticContact CZ-CD2 3.36Å; F281-H290 WeakPolarHBondContact CZ-CD2 3.38Å; F281-H290 AromaticContact CZ-CG 3.21Å; F281-H290 AromaticContact CZ-ND1 3.88Å |
| 282 | H | 94.2 | Very high | 93.1 | Very high | 40 Ų | 40 | 72.3 Ų | 72.3 | 19% | 0.185 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -80.3 | -15.4 | 176.7 | -54.5 | -74.2 | 0 | 0 | 0 | 113.3 | R264 Y269 K270 | R264-H282 HydrophobicContact CB-CB 4.45Å; R264-H282 PolarHBondContact NH1-O 2.69Å; R264-H282 PolarHBondContact O-CE1 2.72Å; R264-H282 PolarHBondContact O-ND1 3.2Å; Y269-H282 PolarHBondContact O-ND1 3.37Å; K270-H282 VanDerWaalsContact CG-CE1 3.44Å; K270-H282 WeakPolarHBondContact CG-CE1 3.47Å; K270-H282 PolarHBondContact NZ-NE2 2.96Å; K270-H282 VanDerWaalsContact NZ-NE2 3.2Å |
| 283 | Q | 94.8 | Very high | 92.7 | Very high | 84 Ų | 84 | 72.9 Ų | 72.9 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -134.5 | 141.3 | -176.4 | -63.7 | -172.4 | 24 | 0 | 0 | 111.8 | T261 F272 G285 N286 Y287 | T261-Q283 HydrophobicContact CG2-CG 4.04Å; F272-Q283 VanDerWaalsContact CD2-C 3.44Å; Q283-G285 VanDerWaalsContact C-N 3.33Å; Q283-G285 PolarHBondContact O-N 3.3Å; Q283-N286 PolarHBondContact O-N 2.75Å; Q283-Y287 PolarHBondContact O-N 3.32Å; Q283-Y287 VanDerWaalsContact O-N 3.11Å |
| 284 | K | 93.7 | Very high | 92.3 | Very high | 151 Ų | 151 | 72.9 Ų | 72.9 | 66% | 0.657 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.8 | -38.7 | -179.1 | -169.7 | 174.2 | -179.4 | 175.1 | 0 | 112.6 | F272 Y287 K288 | F272-K284 HydrophobicContact CD1-CB 4.36Å; F272-K284 HydrophobicContact CD1-CG 4.39Å; F272-K284 HydrophobicContact CD2-CB 4.39Å; F272-K284 HydrophobicContact CE1-CB 3.85Å; F272-K284 HydrophobicContact CE1-CD 4.3Å; F272-K284 HydrophobicContact CE1-CG 3.98Å; F272-K284 HydrophobicContact CE2-CB 3.89Å; F272-K284 HydrophobicContact CZ-CB 3.61Å; F272-K284 HydrophobicContact CZ-CG 4.24Å; K284-Y287 PolarHBondContact O-N 2.89Å; K284-K288 WeakPolarHBondContact O-CB 3.2Å; K284-K288 PolarHBondContact O-N 3.06Å |
| 285 | G | 91.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 76.8 Ų | 76.8 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q283 K288 N289 | Q283-G285 VanDerWaalsContact C-N 3.33Å; Q283-G285 PolarHBondContact O-N 3.3Å; G285-K288 PolarHBondContact O-N 3.37Å; G285-N289 WeakPolarHBondContact O-CB 3.49Å; G285-N289 PolarHBondContact O-N 3.06Å |
| 286 | N | 93.3 | Very high | 91.1 | Very high | 89 Ų | 89 | 71 Ų | 71 | 48% | 0.476 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 177.4 | -65.1 | 2.4 | 0 | 0 | 0 | 111.3 | F281 Q283 H290 | F281-N286 HydrophobicContact CD1-CB 3.98Å; Q283-N286 PolarHBondContact O-N 2.75Å; N286-H290 WeakPolarHBondContact O-CB 3.43Å; N286-H290 PolarHBondContact O-N 3.24Å |
| 287 | Y | 94 | Very high | 90.6 | Very high | 42 Ų | 42 | 69.7 Ų | 69.7 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 173.2 | 170.6 | -120.1 | 0 | 0 | 0 | 112.4 | F272 C274 F281 Q283 K284 N289 H290 K291 | F272-Y287 HydrophobicContact CB-CD1 3.91Å; F272-Y287 HydrophobicContact CB-CD2 4.28Å; F272-Y287 HydrophobicContact CB-CG 3.64Å; F272-Y287 HydrophobicContact CD1-CD1 4.35Å; F272-Y287 HydrophobicContact CG-CD1 4.42Å; F272-Y287 HydrophobicContact CG-CG 4.47Å; C274-Y287 HydrophobicContact CB-CE2 4.05Å; F281-Y287 AromaticContact CD2-CD2 3.97Å; F281-Y287 HydrophobicContact CD2-CD2 3.97Å; F281-Y287 HydrophobicContact CE2-CD2 4.34Å; Q283-Y287 PolarHBondContact O-N 3.32Å; Q283-Y287 VanDerWaalsContact O-N 3.11Å; K284-Y287 PolarHBondContact O-N 2.89Å; Y287-N289 VanDerWaalsContact C-N 3.3Å; Y287-N289 PolarHBondContact O-N 3.49Å; Y287-H290 WeakPolarHBondContact O-CB 3.47Å; Y287-H290 PolarHBondContact O-N 3.06Å; Y287-H290 VanDerWaalsContact O-N 3.12Å; Y287-K291 PolarHBondContact O-N 2.89Å |
| 288 | K | 92 | Very high | 90.2 | Very high | 148 Ų | 148 | 71.5 Ų | 71.5 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.4 | -47 | 177.8 | -177.5 | 179.9 | 179 | -179.1 | 0 | 110.8 | K284 G285 H290 K291 M292 | K284-K288 WeakPolarHBondContact O-CB 3.2Å; K284-K288 PolarHBondContact O-N 3.06Å; G285-K288 PolarHBondContact O-N 3.37Å; K288-H290 VanDerWaalsContact C-N 3.34Å; K288-H290 PolarHBondContact O-N 2.8Å; K288-K291 PolarHBondContact O-N 3.24Å; K288-M292 WeakPolarHBondContact O-CG 2.95Å; K288-M292 PolarHBondContact O-N 3.48Å |
| 289 | N | 89.7 | Confident | 89.8 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 21% | 0.214 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.2 | -42 | 177.4 | 178.7 | 55 | 0 | 0 | 0 | 112.6 | G285 Y287 K291 M292 Q311 | G285-N289 WeakPolarHBondContact O-CB 3.49Å; G285-N289 PolarHBondContact O-N 3.06Å; Y287-N289 VanDerWaalsContact C-N 3.3Å; Y287-N289 PolarHBondContact O-N 3.49Å; N289-K291 VanDerWaalsContact C-N 3.32Å; N289-K291 PolarHBondContact O-N 3.38Å; N289-M292 WeakPolarHBondContact O-CB 2.95Å; N289-M292 PolarHBondContact O-N 2.79Å; N289-Q311 PolarHBondContact ND2-NE2 2.89Å; N289-Q311 PolarHBondContact ND2-OE1 3.47Å; N289-Q311 VanDerWaalsContact ND2-OE1 3.09Å; N289-Q311 WeakPolarHBondContact OD1-CG 3Å; N289-Q311 PolarHBondContact OD1-NE2 2.89Å |
| 290 | H | 91.4 | Very high | 89.6 | Confident | 25 Ų | 25 | 70.1 Ų | 70.1 | 12% | 0.116 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.6 | 169.5 | 60.7 | 0 | 0 | 0 | 112.1 | C274 C277 F281 N286 Y287 K288 M292 T293 H294 | C274-H290 WeakPolarHBondContact CB-NE2 3.38Å; C274-H290 PolarHBondContact SG-NE2 3.16Å; C277-H290 PolarHBondContact SG-NE2 3.33Å; F281-H290 HydrophobicContact CE1-CB 3.89Å; F281-H290 HydrophobicContact CE2-CB 3.86Å; F281-H290 AromaticContact CE2-CD2 3.24Å; F281-H290 WeakPolarHBondContact CE2-CD2 3.48Å; F281-H290 AromaticContact CE2-CG 3.6Å; F281-H290 AromaticContact CE2-NE2 3.97Å; F281-H290 HydrophobicContact CZ-CB 3.36Å; F281-H290 AromaticContact CZ-CD2 3.36Å; F281-H290 WeakPolarHBondContact CZ-CD2 3.38Å; F281-H290 AromaticContact CZ-CG 3.21Å; F281-H290 AromaticContact CZ-ND1 3.88Å; N286-H290 WeakPolarHBondContact O-CB 3.43Å; N286-H290 PolarHBondContact O-N 3.24Å; Y287-H290 WeakPolarHBondContact O-CB 3.47Å; Y287-H290 PolarHBondContact O-N 3.06Å; Y287-H290 VanDerWaalsContact O-N 3.12Å; K288-H290 VanDerWaalsContact C-N 3.34Å; K288-H290 PolarHBondContact O-N 2.8Å; H290-M292 PolarHBondContact O-N 3.16Å; H290-T293 WeakPolarHBondContact O-CB 3.42Å; H290-T293 PolarHBondContact O-N 3.3Å; H290-T293 PolarHBondContact O-OG1 3.18Å; H290-H294 AromaticContact CE1-NE2 3.41Å; H290-H294 PolarHBondContact CE1-NE2 3.04Å; H290-H294 AromaticContact NE2-CD2 3.91Å; H290-H294 AromaticContact NE2-NE2 3.23Å; H290-H294 PolarHBondContact NE2-NE2 3.01Å |
| 291 | K | 90.6 | Very high | 89.5 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.5 | -33.7 | 177.4 | -169.2 | 172 | 176.5 | 170.3 | 0 | 112.2 | Y287 K288 N289 T293 H294 | Y287-K291 PolarHBondContact O-N 2.89Å; K288-K291 PolarHBondContact O-N 3.24Å; N289-K291 VanDerWaalsContact C-N 3.32Å; N289-K291 PolarHBondContact O-N 3.38Å; K291-T293 PolarHBondContact O-N 3.12Å; K291-H294 PolarHBondContact O-N 2.77Å; K291-H294 VanDerWaalsContact O-N 3.13Å |
| 292 | M | 88.7 | Confident | 89.4 | Confident | 47 Ų | 47 | 74.9 Ų | 74.9 | 23% | 0.232 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.7 | -21.4 | 175.1 | -55.5 | -56 | -64 | 0 | 0 | 113.5 | K288 N289 H290 H294 E297 H310 | K288-M292 WeakPolarHBondContact O-CG 2.95Å; K288-M292 PolarHBondContact O-N 3.48Å; N289-M292 WeakPolarHBondContact O-CB 2.95Å; N289-M292 PolarHBondContact O-N 2.79Å; H290-M292 PolarHBondContact O-N 3.16Å; M292-H294 VanDerWaalsContact C-N 3.32Å; M292-E297 HydrophobicContact CE-CB 3.74Å; M292-E297 WeakPolarHBondContact CE-OE2 3.38Å; M292-H310 PolarHBondContact O-CE1 2.64Å; M292-H310 PolarHBondContact O-ND1 3.49Å |
| 293 | T | 86.7 | Confident | 89.4 | Confident | 67 Ų | 67 | 80 Ų | 80 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -75.5 | -23.2 | 177.5 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | H290 K291 | H290-T293 WeakPolarHBondContact O-CB 3.42Å; H290-T293 PolarHBondContact O-N 3.3Å; H290-T293 PolarHBondContact O-OG1 3.18Å; K291-T293 PolarHBondContact O-N 3.12Å |
| 294 | H | 87.5 | Confident | 89.2 | Confident | 75 Ų | 75 | 80.3 Ų | 80.3 | 35% | 0.347 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -80.6 | -42.5 | 176.8 | -68.4 | -58.6 | 0 | 0 | 0 | 112 | C274 F276 C277 H290 K291 M292 G296 | C274-H294 PolarHBondContact SG-CD2 3.22Å; C274-H294 PolarHBondContact SG-NE2 3.45Å; F276-H294 HydrophobicContact CD2-CB 4.43Å; C277-H294 PolarHBondContact SG-NE2 3.37Å; H290-H294 AromaticContact CE1-NE2 3.41Å; H290-H294 PolarHBondContact CE1-NE2 3.04Å; H290-H294 AromaticContact NE2-CD2 3.91Å; H290-H294 AromaticContact NE2-NE2 3.23Å; H290-H294 PolarHBondContact NE2-NE2 3.01Å; K291-H294 PolarHBondContact O-N 2.77Å; K291-H294 VanDerWaalsContact O-N 3.13Å; M292-H294 VanDerWaalsContact C-N 3.32Å; H294-G296 PolarHBondContact O-N 3.49Å; H294-G296 VanDerWaalsContact O-N 3.16Å |
| 295 | N | 84 | Confident | 89.2 | Confident | 83 Ų | 83 | 75.3 Ų | 75.3 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -69.5 | -10.6 | 179.1 | -69.8 | 24 | 0 | 0 | 0 | 113.3 | E297 | N295-E297 HydrophobicContact CB-CB 4.3Å; N295-E297 HydrophobicContact CB-CG 4.02Å; N295-E297 PolarHBondContact ND2-OE1 2.86Å; N295-E297 VanDerWaalsContact ND2-OE1 3.14Å; N295-E297 PolarHBondContact O-N 3.32Å |
| 296 | G | 78.7 | Confident | 89.1 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 49% | 0.485 | 41% | 0.407 | S | S | . | . | trans | 66.9 | -4.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H294 K298 | H294-G296 PolarHBondContact O-N 3.49Å; H294-G296 VanDerWaalsContact O-N 3.16Å; G296-K298 PolarHBondContact O-N 3.16Å | ||
| 297 | E | 79.5 | Confident | 89.1 | Confident | 106 Ų | 106 | 81.6 Ų | 81.6 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | trans | -63.1 | 107.1 | -179 | -74.5 | 173.2 | -138 | 0 | 0 | 111.3 | M292 N295 H310 | M292-E297 HydrophobicContact CE-CB 3.74Å; M292-E297 WeakPolarHBondContact CE-OE2 3.38Å; N295-E297 HydrophobicContact CB-CB 4.3Å; N295-E297 HydrophobicContact CB-CG 4.02Å; N295-E297 PolarHBondContact ND2-OE1 2.86Å; N295-E297 VanDerWaalsContact ND2-OE1 3.14Å; N295-E297 PolarHBondContact O-N 3.32Å; E297-H310 PolarHBondContact O-ND1 3.16Å | ||
| 298 | K | 85.9 | Confident | 88.9 | Confident | 103 Ų | 103 | 80.9 Ų | 80.9 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | trans | -107.3 | 84.1 | 175.3 | -71.2 | 165.9 | 167.3 | -175.2 | 0 | 109.2 | G296 F300 A308 F309 H310 | G296-K298 PolarHBondContact O-N 3.16Å; K298-F300 PolarHBondContact O-N 3.36Å; K298-A308 HydrophobicContact CB-CB 3.39Å; K298-A308 HydrophobicContact CD-CB 3.94Å; K298-A308 VanDerWaalsContact CD-O 3.3Å; K298-A308 WeakPolarHBondContact CD-O 3.43Å; K298-A308 HydrophobicContact CG-CB 4.25Å; K298-F309 CarbonylContact C-O 3.57Å; K298-F309 WeakPolarHBondContact CA-O 3.46Å; K298-H310 WeakPolarHBondContact CG-CE1 3.42Å | ||
| 299 | A | 86 | Confident | 88.8 | Confident | 77 Ų | 77 | 76 Ų | 76 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | trans | -65.3 | -24.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F309 | A299-F309 PolarHBondContact N-O 3.17Š| ||
| 300 | F | 90.5 | Very high | 88.8 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 32% | 0.32 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 103.6 | -173 | -56.5 | -77 | 0 | 0 | 0 | 110.5 | K298 A308 F309 H310 Q311 I312 L315 | K298-F300 PolarHBondContact O-N 3.36Å; F300-A308 CarbonylContact O-C 3.46Å; F300-A308 WeakPolarHBondContact O-CA 3.47Å; F300-F309 PolarHBondContact N-O 3.34Å; F300-F309 VanDerWaalsContact N-O 3.14Å; F300-F309 PolarHBondContact O-N 2.82Å; F300-H310 WeakPolarHBondContact CE2-O 3.46Å; F300-Q311 VanDerWaalsContact CD2-C 3.48Å; F300-I312 HydrophobicContact CD1-CB 3.89Å; F300-I312 HydrophobicContact CD1-CD1 4.49Å; F300-I312 HydrophobicContact CD1-CG1 4.17Å; F300-I312 HydrophobicContact CE1-CB 3.74Å; F300-I312 HydrophobicContact CE1-CD1 4.22Å; F300-I312 HydrophobicContact CE1-CG1 4.22Å; F300-I312 HydrophobicContact CE2-CB 4.4Å; F300-I312 HydrophobicContact CG-CB 4.29Å; F300-I312 HydrophobicContact CZ-CB 4.01Å; F300-L315 HydrophobicContact CB-CB 4.13Å; F300-L315 HydrophobicContact CB-CD2 3.85Å |
| 301 | K | 91.9 | Very high | 88.6 | Confident | 148 Ų | 148 | 77.2 Ų | 77.2 | 64% | 0.643 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.7 | -179.8 | -61.7 | -177.2 | -178.9 | 178.4 | 0 | 111.2 | A308 | K301-A308 HydrophobicContact CG-CB 3.9Å |
| 302 | C | 93.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 41% | 0.405 | C | S | . | . | trans | -67.4 | 128.8 | 166.5 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | I304 C305 H306 K307 L315 H318 M319 H322 | C302-I304 VanDerWaalsContact C-N 3.28Å; C302-I304 PolarHBondContact O-N 3.42Å; C302-I304 PolarHBondContact SG-N 2.86Å; C302-C305 PolarHBondContact SG-N 3.33Å; C302-H306 WeakPolarHBondContact O-CA 3.48Å; C302-H306 PolarHBondContact O-N 3.16Å; C302-K307 WeakPolarHBondContact CB-O 3.49Å; C302-K307 PolarHBondContact N-O 2.94Å; C302-L315 HydrophobicContact CB-CD1 3.94Å; C302-H318 WeakPolarHBondContact CB-NE2 3.39Å; C302-H318 PolarHBondContact SG-NE2 3.2Å; C302-H318 VanDerWaalsContact SG-NE2 3.39Å; C302-M319 HydrophobicContact CB-CE 3.7Å; C302-M319 WeakPolarHBondContact SG-CE 3.24Å; C302-H322 PolarHBondContact SG-NE2 2.79Å | ||
| 303 | H | 93.3 | Very high | 88.6 | Confident | 147 Ų | 147 | 81.6 Ų | 81.6 | 68% | 0.681 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.8 | 176.8 | 69.1 | 83.3 | 0 | 0 | 0 | 112.9 | ||
| 304 | I | 91.1 | Very high | 88.8 | Confident | 90 Ų | 90 | 81.2 Ų | 81.2 | 46% | 0.462 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -50.5 | -177.5 | -54.2 | 176.5 | 0 | 0 | 0 | 111.8 | C302 H322 | C302-I304 VanDerWaalsContact C-N 3.28Å; C302-I304 PolarHBondContact O-N 3.42Å; C302-I304 PolarHBondContact SG-N 2.86Å; I304-H322 HydrophobicContact CD1-CB 3.55Å; I304-H322 WeakPolarHBondContact CG2-ND1 3.35Å |
| 305 | C | 93.5 | Very high | 89 | Confident | 47 Ų | 47 | 78.9 Ų | 78.9 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 7.7 | -179 | 70.6 | 0 | 0 | 0 | 0 | 114.6 | C302 K307 H318 H322 | C302-C305 PolarHBondContact SG-N 3.33Å; C305-K307 PolarHBondContact O-N 3.29Å; C305-H318 PolarHBondContact SG-CE1 2.78Å; C305-H318 PolarHBondContact SG-NE2 2.7Å; C305-H322 PolarHBondContact SG-NE2 2.78Å; C305-H322 VanDerWaalsContact SG-NE2 3.41Å |
| 306 | H | 90.2 | Very high | 89.3 | Confident | 142 Ų | 142 | 78.5 Ų | 78.5 | 66% | 0.657 | 40% | 0.402 | S | S | * | . | trans | 59.5 | 7.4 | 176 | -52.6 | -56.7 | 0 | 0 | 0 | 116.4 | C302 A308 | C302-H306 WeakPolarHBondContact O-CA 3.48Å; C302-H306 PolarHBondContact O-N 3.16Å; H306-A308 PolarHBondContact O-N 3.34Å | ||
| 307 | K | 91.7 | Very high | 89.7 | Confident | 126 Ų | 126 | 80.3 Ų | 80.3 | 55% | 0.548 | 40% | 0.397 | S | S | . | . | trans | -60.1 | 131.1 | 170.2 | -71.5 | -177.5 | -169.1 | -67 | 0 | 110.1 | C302 C305 F309 | C302-K307 WeakPolarHBondContact CB-O 3.49Å; C302-K307 PolarHBondContact N-O 2.94Å; C305-K307 PolarHBondContact O-N 3.29Å; K307-F309 HydrophobicContact CB-CE2 3.89Å; K307-F309 HydrophobicContact CB-CZ 4.06Å; K307-F309 WeakPolarHBondContact O-CE2 3.41Å | ||
| 308 | A | 90.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 76.4 Ų | 76.4 | 22% | 0.223 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 142.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K298 F300 K301 H306 | K298-A308 HydrophobicContact CB-CB 3.39Å; K298-A308 HydrophobicContact CD-CB 3.94Å; K298-A308 VanDerWaalsContact CD-O 3.3Å; K298-A308 WeakPolarHBondContact CD-O 3.43Å; K298-A308 HydrophobicContact CG-CB 4.25Å; F300-A308 CarbonylContact O-C 3.46Å; F300-A308 WeakPolarHBondContact O-CA 3.47Å; K301-A308 HydrophobicContact CG-CB 3.9Å; H306-A308 PolarHBondContact O-N 3.34Å |
| 309 | F | 90.5 | Very high | 90.4 | Very high | 46 Ų | 46 | 73 Ų | 73 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 151.7 | -176.8 | -57.8 | -90.7 | 0 | 0 | 0 | 111 | K298 A299 F300 K307 Q311 N314 L315 H318 | K298-F309 CarbonylContact C-O 3.57Å; K298-F309 WeakPolarHBondContact CA-O 3.46Å; A299-F309 PolarHBondContact N-O 3.17Å; F300-F309 PolarHBondContact N-O 3.34Å; F300-F309 VanDerWaalsContact N-O 3.14Å; F300-F309 PolarHBondContact O-N 2.82Å; K307-F309 HydrophobicContact CB-CE2 3.89Å; K307-F309 HydrophobicContact CB-CZ 4.06Å; K307-F309 WeakPolarHBondContact O-CE2 3.41Å; F309-Q311 VanDerWaalsContact C-N 3.35Å; F309-N314 HydrophobicContact CB-CB 4.17Å; F309-N314 HydrophobicContact CD1-CB 3.89Å; F309-N314 HydrophobicContact CG-CB 4.25Å; F309-L315 HydrophobicContact CD2-CB 4.03Å; F309-L315 HydrophobicContact CD2-CD1 3.91Å; F309-L315 HydrophobicContact CE2-CD1 4.06Å; F309-L315 HydrophobicContact CG-CB 4.45Å; F309-H318 HydrophobicContact CE1-CB 4.14Å; F309-H318 HydrophobicContact CE2-CB 3.9Å; F309-H318 AromaticContact CE2-CD2 3.23Å; F309-H318 WeakPolarHBondContact CE2-CD2 3.45Å; F309-H318 AromaticContact CE2-CG 3.66Å; F309-H318 AromaticContact CE2-NE2 4Å; F309-H318 HydrophobicContact CZ-CB 3.5Å; F309-H318 AromaticContact CZ-CD2 3.4Å; F309-H318 WeakPolarHBondContact CZ-CD2 3.24Å; F309-H318 AromaticContact CZ-CG 3.34Å |
| 310 | H | 88.2 | Confident | 90.5 | Very high | 48 Ų | 48 | 71.3 Ų | 71.3 | 22% | 0.222 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -77.9 | -19.3 | 176.1 | -58.2 | -69.6 | 0 | 0 | 0 | 113.3 | M292 E297 K298 F300 | M292-H310 PolarHBondContact O-CE1 2.64Å; M292-H310 PolarHBondContact O-ND1 3.49Å; E297-H310 PolarHBondContact O-ND1 3.16Å; K298-H310 WeakPolarHBondContact CG-CE1 3.42Å; F300-H310 WeakPolarHBondContact CE2-O 3.46Å |
| 311 | Q | 88.6 | Confident | 90.3 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -134.2 | 139.6 | -175.8 | -61.9 | -176.9 | -72.7 | 0 | 0 | 111.7 | N289 F300 F309 Y313 N314 L315 | N289-Q311 PolarHBondContact ND2-NE2 2.89Å; N289-Q311 PolarHBondContact ND2-OE1 3.47Å; N289-Q311 VanDerWaalsContact ND2-OE1 3.09Å; N289-Q311 WeakPolarHBondContact OD1-CG 3Å; N289-Q311 PolarHBondContact OD1-NE2 2.89Å; F300-Q311 VanDerWaalsContact CD2-C 3.48Å; F309-Q311 VanDerWaalsContact C-N 3.35Å; Q311-Y313 VanDerWaalsContact C-N 3.3Å; Q311-Y313 HydrophobicContact CB-CD1 3.71Å; Q311-Y313 HydrophobicContact CB-CE1 3.55Å; Q311-Y313 HydrophobicContact CB-CG 4.48Å; Q311-Y313 HydrophobicContact CG-CD1 4.47Å; Q311-Y313 HydrophobicContact CG-CE1 3.9Å; Q311-Y313 VanDerWaalsContact NE2-CE1 3.29Å; Q311-Y313 PolarHBondContact O-N 3.11Å; Q311-Y313 PolarHBondContact OE1-OH 3.13Å; Q311-N314 WeakPolarHBondContact O-CB 3.43Å; Q311-N314 PolarHBondContact O-N 3.01Å; Q311-N314 VanDerWaalsContact O-N 3.11Å; Q311-L315 PolarHBondContact O-N 3.09Å |
| 312 | I | 90.2 | Very high | 90.1 | Very high | 104 Ų | 104 | 68 Ų | 68 | 53% | 0.533 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.5 | -39.8 | 179.3 | -167.6 | 164.8 | 0 | 0 | 0 | 112.5 | F300 N314 L315 T316 | F300-I312 HydrophobicContact CD1-CB 3.89Å; F300-I312 HydrophobicContact CD1-CD1 4.49Å; F300-I312 HydrophobicContact CD1-CG1 4.17Å; F300-I312 HydrophobicContact CE1-CB 3.74Å; F300-I312 HydrophobicContact CE1-CD1 4.22Å; F300-I312 HydrophobicContact CE1-CG1 4.22Å; F300-I312 HydrophobicContact CE2-CB 4.4Å; F300-I312 HydrophobicContact CG-CB 4.29Å; F300-I312 HydrophobicContact CZ-CB 4.01Å; I312-N314 VanDerWaalsContact C-N 3.27Å; I312-N314 PolarHBondContact O-N 3.45Å; I312-L315 CarbonylContact O-C 3.25Å; I312-L315 WeakPolarHBondContact O-CA 3.43Å; I312-L315 WeakPolarHBondContact O-CB 3.49Å; I312-L315 PolarHBondContact O-N 3.5Å; I312-L315 VanDerWaalsContact O-N 3.08Å; I312-T316 PolarHBondContact O-N 3.3Å; I312-T316 PolarHBondContact O-OG1 3.49Å |
| 313 | Y | 88.5 | Confident | 89.7 | Confident | 114 Ų | 114 | 72.9 Ų | 72.9 | 45% | 0.447 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -31.2 | -179.9 | 74 | -100.2 | 0 | 0 | 0 | 112.5 | Q311 L315 T316 F317 | Q311-Y313 VanDerWaalsContact C-N 3.3Å; Q311-Y313 HydrophobicContact CB-CD1 3.71Å; Q311-Y313 HydrophobicContact CB-CE1 3.55Å; Q311-Y313 HydrophobicContact CB-CG 4.48Å; Q311-Y313 HydrophobicContact CG-CD1 4.47Å; Q311-Y313 HydrophobicContact CG-CE1 3.9Å; Q311-Y313 VanDerWaalsContact NE2-CE1 3.29Å; Q311-Y313 PolarHBondContact O-N 3.11Å; Q311-Y313 PolarHBondContact OE1-OH 3.13Å; Y313-L315 VanDerWaalsContact C-N 3.35Å; Y313-T316 PolarHBondContact O-N 3.37Å; Y313-F317 HydrophobicContact CD2-CD2 4.16Å; Y313-F317 HydrophobicContact CD2-CE2 4.2Å; Y313-F317 WeakPolarHBondContact O-CD2 3.36Å; Y313-F317 PolarHBondContact O-N 2.74Å |
| 314 | N | 90.6 | Very high | 88.8 | Confident | 59 Ų | 59 | 75 Ų | 75 | 32% | 0.316 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 174.4 | -73.9 | -35.6 | 0 | 0 | 0 | 110.6 | F309 Q311 I312 H318 | F309-N314 HydrophobicContact CB-CB 4.17Å; F309-N314 HydrophobicContact CD1-CB 3.89Å; F309-N314 HydrophobicContact CG-CB 4.25Å; Q311-N314 WeakPolarHBondContact O-CB 3.43Å; Q311-N314 PolarHBondContact O-N 3.01Å; Q311-N314 VanDerWaalsContact O-N 3.11Å; I312-N314 VanDerWaalsContact C-N 3.27Å; I312-N314 PolarHBondContact O-N 3.45Å; N314-H318 VanDerWaalsContact O-CB 3.3Å; N314-H318 WeakPolarHBondContact O-CB 3.32Å; N314-H318 PolarHBondContact O-N 3.35Å |
| 315 | L | 91.4 | Very high | 88.2 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 14% | 0.141 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 171.5 | 174.7 | 64.5 | 0 | 0 | 0 | 111 | F300 C302 F309 Q311 I312 Y313 F317 H318 M319 | F300-L315 HydrophobicContact CB-CB 4.13Å; F300-L315 HydrophobicContact CB-CD2 3.85Å; C302-L315 HydrophobicContact CB-CD1 3.94Å; F309-L315 HydrophobicContact CD2-CB 4.03Å; F309-L315 HydrophobicContact CD2-CD1 3.91Å; F309-L315 HydrophobicContact CE2-CD1 4.06Å; F309-L315 HydrophobicContact CG-CB 4.45Å; Q311-L315 PolarHBondContact O-N 3.09Å; I312-L315 CarbonylContact O-C 3.25Å; I312-L315 WeakPolarHBondContact O-CA 3.43Å; I312-L315 WeakPolarHBondContact O-CB 3.49Å; I312-L315 PolarHBondContact O-N 3.5Å; I312-L315 VanDerWaalsContact O-N 3.08Å; Y313-L315 VanDerWaalsContact C-N 3.35Å; L315-F317 VanDerWaalsContact C-N 3.34Å; L315-F317 PolarHBondContact O-N 2.98Å; L315-H318 CarbonylContact O-C 3.5Å; L315-H318 WeakPolarHBondContact O-CA 3.34Å; L315-H318 WeakPolarHBondContact O-CB 3.44Å; L315-H318 PolarHBondContact O-N 2.93Å; L315-M319 HydrophobicContact CD1-CE 3.42Å; L315-M319 VanDerWaalsContact CD1-CE 3.42Å; L315-M319 HydrophobicContact CD1-SD 4.29Å; L315-M319 HydrophobicContact CG-CE 4.35Å; L315-M319 WeakPolarHBondContact O-CG 3.14Å; L315-M319 PolarHBondContact O-N 3.46Å |
| 316 | T | 90.7 | Very high | 87.8 | Confident | 74 Ų | 74 | 82 Ų | 82 | 45% | 0.454 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.7 | -45.4 | 177.7 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | I312 Y313 H318 M319 H320 | I312-T316 PolarHBondContact O-N 3.3Å; I312-T316 PolarHBondContact O-OG1 3.49Å; Y313-T316 PolarHBondContact O-N 3.37Å; T316-H318 VanDerWaalsContact C-N 3.35Å; T316-M319 WeakPolarHBondContact O-CB 3.22Å; T316-M319 PolarHBondContact O-N 3.13Å; T316-H320 PolarHBondContact O-CE1 2.82Å; T316-H320 PolarHBondContact O-ND1 2.63Å |
| 317 | F | 86.8 | Confident | 87.6 | Confident | 86 Ų | 86 | 78.5 Ų | 78.5 | 38% | 0.377 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 174.6 | -76.9 | -58.8 | 0 | 0 | 0 | 112.6 | Y313 L315 M319 H320 R339 | Y313-F317 HydrophobicContact CD2-CD2 4.16Å; Y313-F317 HydrophobicContact CD2-CE2 4.2Å; Y313-F317 WeakPolarHBondContact O-CD2 3.36Å; Y313-F317 PolarHBondContact O-N 2.74Å; L315-F317 VanDerWaalsContact C-N 3.34Å; L315-F317 PolarHBondContact O-N 2.98Å; F317-M319 VanDerWaalsContact C-N 3.26Å; F317-M319 PolarHBondContact O-N 3.32Å; F317-H320 WeakPolarHBondContact O-CB 3.46Å; F317-H320 PolarHBondContact O-N 3.46Å; F317-H320 VanDerWaalsContact O-N 3.16Å; F317-H320 PolarHBondContact O-ND1 2.73Å; F317-R339 HydrophobicContact CD1-CG 4.14Å; F317-R339 HydrophobicContact CG-CG 4.43Å |
| 318 | H | 89.9 | Confident | 87.5 | Confident | 23 Ų | 23 | 75.5 Ų | 75.5 | 11% | 0.106 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -31.9 | 174.2 | 169.7 | 53.8 | 0 | 0 | 0 | 112.4 | C302 C305 F309 N314 L315 T316 H320 T321 H322 | C302-H318 WeakPolarHBondContact CB-NE2 3.39Å; C302-H318 PolarHBondContact SG-NE2 3.2Å; C302-H318 VanDerWaalsContact SG-NE2 3.39Å; C305-H318 PolarHBondContact SG-CE1 2.78Å; C305-H318 PolarHBondContact SG-NE2 2.7Å; F309-H318 HydrophobicContact CE1-CB 4.14Å; F309-H318 HydrophobicContact CE2-CB 3.9Å; F309-H318 AromaticContact CE2-CD2 3.23Å; F309-H318 WeakPolarHBondContact CE2-CD2 3.45Å; F309-H318 AromaticContact CE2-CG 3.66Å; F309-H318 AromaticContact CE2-NE2 4Å; F309-H318 HydrophobicContact CZ-CB 3.5Å; F309-H318 AromaticContact CZ-CD2 3.4Å; F309-H318 WeakPolarHBondContact CZ-CD2 3.24Å; F309-H318 AromaticContact CZ-CG 3.34Å; N314-H318 VanDerWaalsContact O-CB 3.3Å; N314-H318 WeakPolarHBondContact O-CB 3.32Å; N314-H318 PolarHBondContact O-N 3.35Å; L315-H318 CarbonylContact O-C 3.5Å; L315-H318 WeakPolarHBondContact O-CA 3.34Å; L315-H318 WeakPolarHBondContact O-CB 3.44Å; L315-H318 PolarHBondContact O-N 2.93Å; T316-H318 VanDerWaalsContact C-N 3.35Å; H318-H320 PolarHBondContact O-N 2.85Å; H318-H320 VanDerWaalsContact O-N 3.16Å; H318-T321 PolarHBondContact ND1-OG1 2.85Å; H318-T321 WeakPolarHBondContact O-CB 3.18Å; H318-T321 PolarHBondContact O-N 3.39Å; H318-T321 PolarHBondContact O-OG1 2.68Å; H318-H322 AromaticContact CE1-NE2 3.44Å; H318-H322 PolarHBondContact CE1-NE2 3.01Å; H318-H322 AromaticContact NE2-NE2 3.4Å; H318-H322 PolarHBondContact NE2-NE2 2.84Å |
| 319 | M | 89.9 | Confident | 87.5 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 16% | 0.163 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.5 | -28.5 | 175.6 | -66.1 | -53.3 | 85.9 | 0 | 0 | 112.6 | C302 L315 T316 F317 T321 H322 Q323 | C302-M319 HydrophobicContact CB-CE 3.7Å; C302-M319 WeakPolarHBondContact SG-CE 3.24Å; L315-M319 HydrophobicContact CD1-CE 3.42Å; L315-M319 VanDerWaalsContact CD1-CE 3.42Å; L315-M319 HydrophobicContact CD1-SD 4.29Å; L315-M319 HydrophobicContact CG-CE 4.35Å; L315-M319 WeakPolarHBondContact O-CG 3.14Å; L315-M319 PolarHBondContact O-N 3.46Å; T316-M319 WeakPolarHBondContact O-CB 3.22Å; T316-M319 PolarHBondContact O-N 3.13Å; F317-M319 VanDerWaalsContact C-N 3.26Å; F317-M319 PolarHBondContact O-N 3.32Å; M319-T321 PolarHBondContact O-N 3.24Å; M319-H322 PolarHBondContact O-N 2.82Å; M319-H322 VanDerWaalsContact O-N 3.1Å; M319-Q323 PolarHBondContact O-N 3.13Å |
| 320 | H | 89 | Confident | 87.6 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 19% | 0.185 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -8.8 | 174.8 | -59 | 86.2 | 0 | 0 | 0 | 113.5 | T316 F317 H318 P327 C338 | T316-H320 PolarHBondContact O-CE1 2.82Å; T316-H320 PolarHBondContact O-ND1 2.63Å; F317-H320 WeakPolarHBondContact O-CB 3.46Å; F317-H320 PolarHBondContact O-N 3.46Å; F317-H320 VanDerWaalsContact O-N 3.16Å; F317-H320 PolarHBondContact O-ND1 2.73Å; H318-H320 PolarHBondContact O-N 2.85Å; H318-H320 VanDerWaalsContact O-N 3.16Å; H320-P327 WeakPolarHBondContact CD2-CG 3.35Å; H320-C338 HydrophobicContact CB-CB 4.03Å; H320-C338 PolarHBondContact O-SG 3.38Å |
| 321 | T | 86.1 | Confident | 87.8 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 52% | 0.521 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -18.6 | 171.1 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | H318 M319 | H318-T321 PolarHBondContact ND1-OG1 2.85Å; H318-T321 WeakPolarHBondContact O-CB 3.18Å; H318-T321 PolarHBondContact O-N 3.39Å; H318-T321 PolarHBondContact O-OG1 2.68Å; M319-T321 PolarHBondContact O-N 3.24Å |
| 322 | H | 88.3 | Confident | 87.9 | Confident | 66 Ų | 66 | 81.9 Ų | 81.9 | 31% | 0.306 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -22.7 | 172 | -66.6 | -64 | 0 | 0 | 0 | 112.3 | C302 I304 C305 H318 M319 | C302-H322 PolarHBondContact SG-NE2 2.79Å; I304-H322 HydrophobicContact CD1-CB 3.55Å; I304-H322 WeakPolarHBondContact CG2-ND1 3.35Å; C305-H322 PolarHBondContact SG-NE2 2.78Å; C305-H322 VanDerWaalsContact SG-NE2 3.41Å; H318-H322 AromaticContact CE1-NE2 3.44Å; H318-H322 PolarHBondContact CE1-NE2 3.01Å; H318-H322 AromaticContact NE2-NE2 3.4Å; H318-H322 PolarHBondContact NE2-NE2 2.84Å; M319-H322 PolarHBondContact O-N 2.82Å; M319-H322 VanDerWaalsContact O-N 3.1Å |
| 323 | Q | 84.5 | Confident | 88 | Confident | 104 Ų | 104 | 79.5 Ų | 79.5 | 49% | 0.486 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -89.7 | 128.6 | 175.2 | -61.7 | 175.9 | 0.9 | 0 | 0 | 109 | M319 K325 | M319-Q323 PolarHBondContact O-N 3.13Å; Q323-K325 PolarHBondContact O-N 3.05Å |
| 324 | E | 74.6 | Confident | 88 | Confident | 192 Ų | 192 | 76.8 Ų | 76.8 | 90% | 0.897 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -64.5 | -24.4 | 174.9 | -61.8 | -177.2 | 171.8 | 0 | 0 | 112.1 | K326 | E324-K326 PolarHBondContact O-N 3.17Å; E324-K326 VanDerWaalsContact O-N 3.11Å |
| 325 | K | 78.7 | Confident | 88 | Confident | 178 Ų | 178 | 79.6 Ų | 79.6 | 77% | 0.774 | 41% | 0.41 | S | S | * | . | trans | -75.5 | 99.4 | 177.8 | -64.1 | -174.7 | -178.4 | -179.2 | 0 | 110.2 | Q323 P327 | Q323-K325 PolarHBondContact O-N 3.05Å; K325-P327 WeakPolarHBondContact O-CD 3.45Å | ||
| 326 | K | 85.4 | Confident | 87.9 | Confident | 106 Ų | 106 | 79.1 Ų | 79.1 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | trans | -82.6 | 116.8 | 173.1 | -65 | -176.4 | -175.9 | 172.9 | 0 | 109.7 | E324 F328 G336 | E324-K326 PolarHBondContact O-N 3.17Å; E324-K326 VanDerWaalsContact O-N 3.11Å; K326-F328 PolarHBondContact O-N 2.94Å; K326-F328 VanDerWaalsContact O-N 3.14Å; K326-G336 WeakPolarHBondContact CD-O 3.4Å; K326-G336 PolarHBondContact NZ-O 3.13Å | ||
| 327 | P | 85 | Confident | 87.8 | Confident | 68 Ų | 68 | 77.7 Ų | 77.7 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -64.2 | -22.6 | -171.6 | -23 | 32.3 | 0 | 0 | 0 | 115.2 | H320 K325 | H320-P327 WeakPolarHBondContact CD2-CG 3.35Å; K325-P327 WeakPolarHBondContact O-CD 3.45Å |
| 328 | F | 89.6 | Confident | 87.9 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 28% | 0.281 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 103.7 | -175.4 | -57.9 | -75.7 | 0 | 0 | 0 | 110 | K326 G336 F337 R339 N340 L343 | K326-F328 PolarHBondContact O-N 2.94Å; K326-F328 VanDerWaalsContact O-N 3.14Å; F328-G336 CarbonylContact O-C 3.51Å; F328-G336 WeakPolarHBondContact O-CA 3.38Å; F328-F337 HydrophobicContact CB-CB 4.44Å; F328-F337 WeakPolarHBondContact CB-O 3.42Å; F328-F337 PolarHBondContact N-O 2.97Å; F328-F337 PolarHBondContact O-N 3.22Å; F328-R339 VanDerWaalsContact CD2-C 3.46Å; F328-N340 HydrophobicContact CD1-CB 3.92Å; F328-N340 HydrophobicContact CD2-CB 4.4Å; F328-N340 VanDerWaalsContact CD2-N 3.29Å; F328-N340 HydrophobicContact CE1-CB 3.72Å; F328-N340 HydrophobicContact CE2-CB 4.21Å; F328-N340 HydrophobicContact CG-CB 4.26Å; F328-N340 HydrophobicContact CZ-CB 3.86Å; F328-L343 HydrophobicContact CB-CB 4.2Å; F328-L343 HydrophobicContact CB-CD2 3.9Å |
| 329 | T | 91.2 | Very high | 87.8 | Confident | 89 Ų | 89 | 79 Ų | 79 | 55% | 0.546 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 141.7 | 176 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 330 | C | 93.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 80.6 Ų | 80.6 | 1% | 0.007 | 41% | 0.413 | C | S | . | . | trans | -76.2 | 121.8 | 168.2 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | L332 C333 G334 K335 F337 L343 H346 | C330-L332 PolarHBondContact O-N 3.28Å; C330-L332 PolarHBondContact SG-N 3.05Å; C330-C333 VanDerWaalsContact SG-SG 3.61Å; C330-G334 WeakPolarHBondContact O-CA 3.47Å; C330-G334 PolarHBondContact O-N 2.78Å; C330-K335 PolarHBondContact N-O 3.1Å; C330-F337 HydrophobicContact CB-CE2 4.35Å; C330-L343 HydrophobicContact CB-CD1 3.65Å; C330-H346 PolarHBondContact SG-NE2 3.05Å | ||
| 331 | H | 92.3 | Very high | 88 | Confident | 135 Ų | 135 | 84.5 Ų | 84.5 | 63% | 0.625 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.8 | 177.3 | 60.5 | -82.2 | 0 | 0 | 0 | 112.7 | ||
| 332 | L | 89.8 | Confident | 88.3 | Confident | 71 Ų | 71 | 82.4 Ų | 82.4 | 37% | 0.372 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -25 | -177.8 | -60 | 172.4 | 0 | 0 | 0 | 114 | C330 L347 H351 | C330-L332 PolarHBondContact O-N 3.28Å; C330-L332 PolarHBondContact SG-N 3.05Å; L332-L347 HydrophobicContact CD1-CD2 4.3Å; L332-H351 HydrophobicContact CD1-CB 3.42Å; L332-H351 VanDerWaalsContact CD1-CB 3.42Å; L332-H351 VanDerWaalsContact CD1-CG 3.44Å |
| 333 | C | 91.7 | Very high | 88.5 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 37% | 0.365 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | 5.4 | -179 | 71.4 | 0 | 0 | 0 | 0 | 115 | C330 K335 H346 | C330-C333 VanDerWaalsContact SG-SG 3.61Å; C333-K335 PolarHBondContact O-N 3.19Å; C333-H346 PolarHBondContact SG-CE1 2.71Å; C333-H346 PolarHBondContact SG-NE2 3.43Å |
| 334 | G | 89.4 | Confident | 89 | Confident | 57 Ų | 57 | 81 Ų | 81 | 59% | 0.588 | 41% | 0.408 | S | S | * | . | trans | 70.6 | -8.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | C330 G336 | C330-G334 WeakPolarHBondContact O-CA 3.47Å; C330-G334 PolarHBondContact O-N 2.78Å; G334-G336 PolarHBondContact O-N 2.88Å | ||
| 335 | K | 89.7 | Confident | 89.9 | Confident | 119 Ų | 119 | 76.4 Ų | 76.4 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | trans | -61.9 | 123.2 | -177.3 | -69.4 | -178.1 | -176.1 | -178.8 | 0 | 111.3 | C330 C333 F337 | C330-K335 PolarHBondContact N-O 3.1Å; C333-K335 PolarHBondContact O-N 3.19Å; K335-F337 HydrophobicContact CB-CE2 3.84Å; K335-F337 HydrophobicContact CB-CZ 3.95Å; K335-F337 VanDerWaalsContact O-CD2 3.32Å; K335-F337 WeakPolarHBondContact O-CD2 3.39Å; K335-F337 WeakPolarHBondContact O-CE2 3.34Å | ||
| 336 | G | 89.6 | Confident | 90.6 | Very high | 17 Ų | 17 | 68.8 Ų | 68.8 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 145.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K326 F328 G334 | K326-G336 WeakPolarHBondContact CD-O 3.4Å; K326-G336 PolarHBondContact NZ-O 3.13Å; F328-G336 CarbonylContact O-C 3.51Å; F328-G336 WeakPolarHBondContact O-CA 3.38Å; G334-G336 PolarHBondContact O-N 2.88Å |
| 337 | F | 89.9 | Confident | 91 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145 | 177.5 | -58.9 | -85.6 | 0 | 0 | 0 | 111.6 | F328 C330 K335 R339 D342 L343 H346 | F328-F337 HydrophobicContact CB-CB 4.44Å; F328-F337 WeakPolarHBondContact CB-O 3.42Å; F328-F337 PolarHBondContact N-O 2.97Å; F328-F337 PolarHBondContact O-N 3.22Å; C330-F337 HydrophobicContact CB-CE2 4.35Å; K335-F337 HydrophobicContact CB-CE2 3.84Å; K335-F337 HydrophobicContact CB-CZ 3.95Å; K335-F337 VanDerWaalsContact O-CD2 3.32Å; K335-F337 WeakPolarHBondContact O-CD2 3.39Å; K335-F337 WeakPolarHBondContact O-CE2 3.34Å; F337-R339 VanDerWaalsContact C-N 3.34Å; F337-D342 HydrophobicContact CB-CB 4.2Å; F337-D342 HydrophobicContact CD1-CB 3.86Å; F337-D342 HydrophobicContact CG-CB 4.3Å; F337-L343 HydrophobicContact CB-CB 4.3Å; F337-L343 HydrophobicContact CD2-CB 3.88Å; F337-L343 HydrophobicContact CD2-CD1 3.79Å; F337-L343 HydrophobicContact CD2-CG 4.43Å; F337-L343 HydrophobicContact CE2-CD1 3.92Å; F337-L343 HydrophobicContact CG-CB 4.25Å; F337-H346 HydrophobicContact CE1-CB 4.01Å; F337-H346 HydrophobicContact CE2-CB 3.94Å; F337-H346 AromaticContact CE2-CD2 3.71Å; F337-H346 AromaticContact CE2-CG 3.66Å; F337-H346 HydrophobicContact CZ-CB 3.48Å; F337-H346 VanDerWaalsContact CZ-CB 3.48Å; F337-H346 AromaticContact CZ-CD2 3.85Å; F337-H346 AromaticContact CZ-CG 3.32Å; F337-H346 AromaticContact CZ-ND1 3.56Å |
| 338 | C | 87.4 | Confident | 91.3 | Very high | 23 Ų | 23 | 69.1 Ų | 69.1 | 16% | 0.155 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -78.1 | -18.8 | 178 | -55.8 | 0 | 0 | 0 | 0 | 112.9 | H320 | H320-C338 HydrophobicContact CB-CB 4.03Å; H320-C338 PolarHBondContact O-SG 3.38Å |
| 339 | R | 88.3 | Confident | 91.4 | Very high | 115 Ų | 115 | 73.4 Ų | 73.4 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -129.6 | 139.4 | 179.4 | -54.4 | -178.6 | -64.4 | -176.7 | 0.2 | 111 | F317 F328 F337 F341 D342 L343 | F317-R339 HydrophobicContact CD1-CG 4.14Å; F317-R339 HydrophobicContact CG-CG 4.43Å; F328-R339 VanDerWaalsContact CD2-C 3.46Å; F337-R339 VanDerWaalsContact C-N 3.34Å; R339-F341 PolarHBondContact O-N 2.73Å; R339-D342 WeakPolarHBondContact CB-OD2 3.2Å; R339-D342 IonicContact CZ-OD1 2.77Å; R339-D342 IonicContact CZ-OD2 3.09Å; R339-D342 IonicContact NE-OD1 3.67Å; R339-D342 IonicContact NE-OD2 2.72Å; R339-D342 PolarHBondContact NE-OD2 3.08Å; R339-D342 VanDerWaalsContact NH2-CG 3.33Å; R339-D342 IonicContact NH2-OD1 2.7Å; R339-D342 PolarHBondContact NH2-OD1 2.87Å; R339-D342 IonicContact NH2-OD2 3.44Å; R339-D342 PolarHBondContact NH2-OD2 3.4Å; R339-D342 VanDerWaalsContact NH2-OD2 3.09Å; R339-D342 PolarHBondContact O-N 2.97Å; R339-L343 PolarHBondContact O-N 2.73Å |
| 340 | N | 91.4 | Very high | 91.3 | Very high | 65 Ų | 65 | 74.5 Ų | 74.5 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.7 | -34.8 | 172.3 | -172 | -62.9 | 0 | 0 | 0 | 112 | F328 D342 L343 K344 | F328-N340 HydrophobicContact CD1-CB 3.92Å; F328-N340 HydrophobicContact CD2-CB 4.4Å; F328-N340 VanDerWaalsContact CD2-N 3.29Å; F328-N340 HydrophobicContact CE1-CB 3.72Å; F328-N340 HydrophobicContact CE2-CB 4.21Å; F328-N340 HydrophobicContact CG-CB 4.26Å; F328-N340 HydrophobicContact CZ-CB 3.86Å; N340-D342 VanDerWaalsContact C-N 3.32Å; N340-D342 PolarHBondContact O-N 3.27Å; N340-L343 PolarHBondContact O-N 3.44Å; N340-K344 PolarHBondContact O-N 3.28Å; N340-K344 VanDerWaalsContact OD1-CD 3.27Å; N340-K344 WeakPolarHBondContact OD1-CD 3.45Å; N340-K344 WeakPolarHBondContact OD1-CE 3.5Å; N340-K344 WeakPolarHBondContact OD1-CG 3.47Å |
| 341 | F | 91.7 | Very high | 91 | Very high | 123 Ų | 123 | 75.5 Ų | 75.5 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | 175.2 | 177.5 | -94.4 | 0 | 0 | 0 | 112.7 | R339 K344 K345 | R339-F341 PolarHBondContact O-N 2.73Å; F341-K344 PolarHBondContact O-N 3.24Å; F341-K345 HydrophobicContact CE1-CD 4.44Å; F341-K345 WeakPolarHBondContact O-CB 3.35Å; F341-K345 PolarHBondContact O-N 2.96Å |
| 342 | D | 92 | Very high | 90.5 | Very high | 41 Ų | 41 | 72.3 Ų | 72.3 | 22% | 0.219 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 179 | -62.2 | -41.7 | 0 | 0 | 0 | 110.8 | F337 R339 N340 K345 H346 | F337-D342 HydrophobicContact CB-CB 4.2Å; F337-D342 HydrophobicContact CD1-CB 3.86Å; F337-D342 HydrophobicContact CG-CB 4.3Å; R339-D342 WeakPolarHBondContact CB-OD2 3.2Å; R339-D342 IonicContact CZ-OD1 2.77Å; R339-D342 IonicContact CZ-OD2 3.09Å; R339-D342 IonicContact NE-OD1 3.67Å; R339-D342 IonicContact NE-OD2 2.72Å; R339-D342 PolarHBondContact NE-OD2 3.08Å; R339-D342 VanDerWaalsContact NH2-CG 3.33Å; R339-D342 IonicContact NH2-OD1 2.7Å; R339-D342 PolarHBondContact NH2-OD1 2.87Å; R339-D342 IonicContact NH2-OD2 3.44Å; R339-D342 PolarHBondContact NH2-OD2 3.4Å; R339-D342 VanDerWaalsContact NH2-OD2 3.09Å; R339-D342 PolarHBondContact O-N 2.97Å; N340-D342 VanDerWaalsContact C-N 3.32Å; N340-D342 PolarHBondContact O-N 3.27Å; D342-K345 PolarHBondContact O-N 2.72Å; D342-H346 VanDerWaalsContact O-CB 3.27Å; D342-H346 WeakPolarHBondContact O-CB 3.39Å; D342-H346 PolarHBondContact O-N 3.07Å |
| 343 | L | 93.3 | Very high | 89.6 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 11% | 0.105 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 171.6 | 174 | 61.4 | 0 | 0 | 0 | 111.3 | F328 C330 F337 R339 N340 K345 H346 L347 | F328-L343 HydrophobicContact CB-CB 4.2Å; F328-L343 HydrophobicContact CB-CD2 3.9Å; C330-L343 HydrophobicContact CB-CD1 3.65Å; F337-L343 HydrophobicContact CB-CB 4.3Å; F337-L343 HydrophobicContact CD2-CB 3.88Å; F337-L343 HydrophobicContact CD2-CD1 3.79Å; F337-L343 HydrophobicContact CD2-CG 4.43Å; F337-L343 HydrophobicContact CE2-CD1 3.92Å; F337-L343 HydrophobicContact CG-CB 4.25Å; R339-L343 PolarHBondContact O-N 2.73Å; N340-L343 PolarHBondContact O-N 3.44Å; L343-K345 VanDerWaalsContact C-N 3.33Å; L343-K345 PolarHBondContact O-N 3.48Å; L343-H346 CarbonylContact O-C 3.54Å; L343-H346 WeakPolarHBondContact O-CA 3.48Å; L343-H346 WeakPolarHBondContact O-CB 3.46Å; L343-H346 PolarHBondContact O-N 3.24Å; L343-H346 VanDerWaalsContact O-N 3.14Å; L343-L347 HydrophobicContact CD1-CD1 4.23Å; L343-L347 HydrophobicContact CD1-CG 4.07Å; L343-L347 HydrophobicContact CG-CD1 4.1Å; L343-L347 HydrophobicContact CG-CG 4.39Å; L343-L347 WeakPolarHBondContact O-CG 3.49Å; L343-L347 PolarHBondContact O-N 3.42Å |
| 344 | K | 94.2 | Very high | 88.3 | Confident | 121 Ų | 121 | 82.3 Ų | 82.3 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 177 | -77 | -179.3 | 174.9 | 175.1 | 0 | 112.8 | N340 F341 H346 R348 | N340-K344 PolarHBondContact O-N 3.28Å; N340-K344 VanDerWaalsContact OD1-CD 3.27Å; N340-K344 WeakPolarHBondContact OD1-CD 3.45Å; N340-K344 WeakPolarHBondContact OD1-CE 3.5Å; N340-K344 WeakPolarHBondContact OD1-CG 3.47Å; F341-K344 PolarHBondContact O-N 3.24Å; K344-H346 VanDerWaalsContact C-N 3.35Å; K344-R348 WeakPolarHBondContact O-CB 3.44Å; K344-R348 WeakPolarHBondContact O-CG 3.42Å; K344-R348 PolarHBondContact O-N 3.43Å |
| 345 | K | 93.7 | Very high | 86.8 | Confident | 94 Ų | 94 | 81.2 Ų | 81.2 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 173.7 | -176.5 | -178.8 | 178 | -176.3 | 0 | 110.7 | F341 D342 L343 K349 | F341-K345 HydrophobicContact CE1-CD 4.44Å; F341-K345 WeakPolarHBondContact O-CB 3.35Å; F341-K345 PolarHBondContact O-N 2.96Å; D342-K345 PolarHBondContact O-N 2.72Å; L343-K345 VanDerWaalsContact C-N 3.33Å; L343-K345 PolarHBondContact O-N 3.48Å; K345-K349 HydrophobicContact CG-CD 4.28Å; K345-K349 WeakPolarHBondContact O-CB 3.36Å; K345-K349 VanDerWaalsContact O-CG 3.29Å; K345-K349 WeakPolarHBondContact O-CG 3.2Å; K345-K349 PolarHBondContact O-N 3.38Å |
| 346 | H | 93.5 | Very high | 85.2 | Confident | 18 Ų | 18 | 83.5 Ų | 83.5 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.2 | -50 | 174.6 | 161.9 | 83.2 | 0 | 0 | 0 | 111.5 | C330 C333 F337 D342 L343 K344 R348 K349 L350 H351 | C330-H346 PolarHBondContact SG-NE2 3.05Å; C333-H346 PolarHBondContact SG-CE1 2.71Å; C333-H346 PolarHBondContact SG-NE2 3.43Å; F337-H346 HydrophobicContact CE1-CB 4.01Å; F337-H346 HydrophobicContact CE2-CB 3.94Å; F337-H346 AromaticContact CE2-CD2 3.71Å; F337-H346 AromaticContact CE2-CG 3.66Å; F337-H346 HydrophobicContact CZ-CB 3.48Å; F337-H346 VanDerWaalsContact CZ-CB 3.48Å; F337-H346 AromaticContact CZ-CD2 3.85Å; F337-H346 AromaticContact CZ-CG 3.32Å; F337-H346 AromaticContact CZ-ND1 3.56Å; D342-H346 VanDerWaalsContact O-CB 3.27Å; D342-H346 WeakPolarHBondContact O-CB 3.39Å; D342-H346 PolarHBondContact O-N 3.07Å; L343-H346 CarbonylContact O-C 3.54Å; L343-H346 WeakPolarHBondContact O-CA 3.48Å; L343-H346 WeakPolarHBondContact O-CB 3.46Å; L343-H346 PolarHBondContact O-N 3.24Å; L343-H346 VanDerWaalsContact O-N 3.14Å; K344-H346 VanDerWaalsContact C-N 3.35Å; H346-R348 PolarHBondContact O-N 3.08Å; H346-K349 PolarHBondContact O-N 3.41Å; H346-K349 VanDerWaalsContact O-N 3.15Å; H346-L350 PolarHBondContact O-N 3.37Å; H346-H351 AromaticContact CE1-NE2 3.76Å; H346-H351 AromaticContact NE2-CD2 3.43Å; H346-H351 PolarHBondContact NE2-CD2 3.14Å; H346-H351 AromaticContact NE2-NE2 3.32Å; H346-H351 PolarHBondContact NE2-NE2 3.41Å |
| 347 | L | 93.2 | Very high | 83.5 | Confident | 30 Ų | 30 | 86 Ų | 86 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 176 | -69.2 | 172.1 | 0 | 0 | 0 | 111 | L332 L343 K349 L350 H351 D352 | L332-L347 HydrophobicContact CD1-CD2 4.3Å; L343-L347 HydrophobicContact CD1-CD1 4.23Å; L343-L347 HydrophobicContact CD1-CG 4.07Å; L343-L347 HydrophobicContact CG-CD1 4.1Å; L343-L347 HydrophobicContact CG-CG 4.39Å; L343-L347 WeakPolarHBondContact O-CG 3.49Å; L343-L347 PolarHBondContact O-N 3.42Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 3.12Å; L347-L350 PolarHBondContact O-N 3.46Å; L347-H351 HydrophobicContact CD2-CB 4.22Å; L347-H351 CarbonylContact O-C 3.53Å; L347-H351 WeakPolarHBondContact O-CA 3.34Å; L347-H351 WeakPolarHBondContact O-CB 3.25Å; L347-H351 PolarHBondContact O-N 3.34Å; L347-D352 PolarHBondContact O-N 3.32Å |
| 348 | R | 91.7 | Very high | 81.7 | Confident | 152 Ų | 152 | 88.7 Ų | 88.7 | 57% | 0.574 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.6 | -27.6 | 178.6 | -73.6 | -172.8 | -62.6 | 178 | 3 | 114.4 | K344 H346 D352 | K344-R348 WeakPolarHBondContact O-CB 3.44Å; K344-R348 WeakPolarHBondContact O-CG 3.42Å; K344-R348 PolarHBondContact O-N 3.43Å; H346-R348 PolarHBondContact O-N 3.08Å; R348-D352 WeakPolarHBondContact O-CB 3.47Å |
| 349 | K | 91.1 | Very high | 80 | Confident | 154 Ų | 154 | 94.6 Ų | 94.6 | 67% | 0.67 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -87 | -33.8 | -179.4 | -76.6 | -172.7 | 171.9 | -151.8 | 0 | 113.3 | K345 H346 L347 | K345-K349 HydrophobicContact CG-CD 4.28Å; K345-K349 WeakPolarHBondContact O-CB 3.36Å; K345-K349 VanDerWaalsContact O-CG 3.29Å; K345-K349 WeakPolarHBondContact O-CG 3.2Å; K345-K349 PolarHBondContact O-N 3.38Å; H346-K349 PolarHBondContact O-N 3.41Å; H346-K349 VanDerWaalsContact O-N 3.15Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 3.12Å |
| 350 | L | 90.2 | Very high | 78.3 | Confident | 111 Ų | 111 | 93.5 Ų | 93.5 | 58% | 0.581 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -115.4 | -20.5 | -171.7 | -64.6 | -179.3 | 0 | 0 | 0 | 113.9 | H346 L347 | H346-L350 PolarHBondContact O-N 3.37Å; L347-L350 PolarHBondContact O-N 3.46Å |
| 351 | H | 87.7 | Confident | 76 | Confident | 23 Ų | 23 | 97 Ų | 97 | 11% | 0.106 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.6 | 3 | -170.6 | -58.2 | -66.3 | 0 | 0 | 0 | 115 | L332 H346 L347 R353 I354 N355 | L332-H351 HydrophobicContact CD1-CB 3.42Å; L332-H351 VanDerWaalsContact CD1-CB 3.42Å; L332-H351 VanDerWaalsContact CD1-CG 3.44Å; H346-H351 AromaticContact CE1-NE2 3.76Å; H346-H351 AromaticContact NE2-CD2 3.43Å; H346-H351 PolarHBondContact NE2-CD2 3.14Å; H346-H351 AromaticContact NE2-NE2 3.32Å; H346-H351 PolarHBondContact NE2-NE2 3.41Å; L347-H351 HydrophobicContact CD2-CB 4.22Å; L347-H351 CarbonylContact O-C 3.53Å; L347-H351 WeakPolarHBondContact O-CA 3.34Å; L347-H351 WeakPolarHBondContact O-CB 3.25Å; L347-H351 PolarHBondContact O-N 3.34Å; H351-R353 PolarHBondContact O-N 3.2Å; H351-I354 PolarHBondContact O-N 3.2Å; H351-N355 PolarHBondContact O-N 3.48Å; H351-N355 VanDerWaalsContact O-N 3.1Å; H351-N355 PolarHBondContact O-ND2 3.4Å |
| 352 | D | 81.1 | Confident | 73.8 | Confident | 67 Ų | 67 | 95.8 Ų | 95.8 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.2 | -32.8 | -175.9 | -152.5 | 52.6 | 0 | 0 | 0 | 112.5 | L347 R348 I354 N355 K356 | L347-D352 PolarHBondContact O-N 3.32Å; R348-D352 WeakPolarHBondContact O-CB 3.47Å; D352-I354 PolarHBondContact O-N 3.1Å; D352-N355 PolarHBondContact O-N 3.35Å; D352-K356 PolarHBondContact O-N 3.05Å |
| 353 | R | 71.7 | Confident | 71.3 | Confident | 244 Ų | 244 | 98.4 Ų | 98.4 | 92% | 0.921 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -27 | 176.3 | -63.9 | -170.7 | -175 | -174.8 | 1.7 | 112.4 | H351 | H351-R353 PolarHBondContact O-N 3.2Å |
| 354 | I | 64.5 | Low | 68.7 | Low | 92 Ų | 92 | 102.8 Ų | 102.8 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -85.5 | -42.2 | 178.6 | -56.7 | 172.5 | 0 | 0 | 0 | 109.8 | H351 D352 K356 A357 | H351-I354 PolarHBondContact O-N 3.2Å; D352-I354 PolarHBondContact O-N 3.1Å; I354-K356 PolarHBondContact O-N 3.48Å; I354-A357 PolarHBondContact O-N 3.26Å |
| 355 | N | 57.4 | Low | 66.1 | Low | 33 Ų | 33 | 102.7 Ų | 102.7 | 18% | 0.176 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -73.7 | -14.3 | -171.9 | -74.3 | -78.2 | 0 | 0 | 0 | 116 | H351 D352 A357 | H351-N355 PolarHBondContact O-N 3.48Å; H351-N355 VanDerWaalsContact O-N 3.1Å; H351-N355 PolarHBondContact O-ND2 3.4Å; D352-N355 PolarHBondContact O-N 3.35Å; N355-A357 VanDerWaalsContact C-N 3.29Å |
| 356 | K | 55.8 | Low | 63.5 | Low | 167 Ų | 167 | 104.2 Ų | 104.2 | 73% | 0.726 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -22.1 | 175.5 | -90 | -176.6 | -178.9 | 176.7 | 0 | 113 | D352 I354 | D352-K356 PolarHBondContact O-N 3.05Å; I354-K356 PolarHBondContact O-N 3.48Å |
| 357 | A | 53.8 | Low | 60.5 | Low | 71 Ų | 71 | 111.1 Ų | 111.1 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -38.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I354 N355 M359 | I354-A357 PolarHBondContact O-N 3.26Å; N355-A357 VanDerWaalsContact C-N 3.29Å; A357-M359 PolarHBondContact O-N 3.43Å |
| 358 | D | 51.6 | Low | 57.7 | Low | 99 Ų | 99 | 115.8 Ų | 115.8 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -10.4 | -167.6 | -54.8 | -41 | 0 | 0 | 0 | 115 | ||
| 359 | M | 53.2 | Low | 54.8 | Low | 146 Ų | 146 | 113.4 Ų | 113.4 | 72% | 0.719 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -8.8 | 178.9 | -63.9 | -71 | 142.2 | 0 | 0 | 113.1 | A357 | A357-M359 PolarHBondContact O-N 3.43Š|
| 360 | A | 51.4 | Low | 52 | Low | 93 Ų | 93 | 112.8 Ų | 112.8 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -81.4 | -14.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 361 | D | 43.2 | Very low | 49 | Very low | 138 Ų | 138 | 111.5 Ų | 111.5 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -118.7 | 11.1 | -174.2 | -160.4 | 21.2 | 0 | 0 | 0 | 114.8 | S363 | D361-S363 PolarHBondContact O-N 3.5Š|
| 362 | S | 45.4 | Very low | 46.2 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | -82.2 | 66.1 | 172.3 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 363 | S | 40.7 | Very low | 43.6 | Very low | 97 Ų | 97 | 118.3 Ų | 118.3 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -63 | 141.1 | 157.8 | -68.7 | 0 | 0 | 0 | 0 | 109 | D361 | D361-S363 PolarHBondContact O-N 3.5Š|
| 364 | P | 38.1 | Very low | 41.5 | Very low | 111 Ų | 111 | 112.5 Ų | 112.5 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.9 | -174 | 27.2 | -32.6 | 0 | 0 | 0 | 110.6 | T366 | P364-T366 PolarHBondContact O-N 3.41Š|
| 365 | P | 39.3 | Very low | 39.8 | Very low | 120 Ų | 120 | 114.4 Ų | 114.4 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 122 | -171.4 | 24.5 | -32.5 | 0 | 0 | 0 | 110.8 | N367 | P365-N367 PolarHBondContact O-N 3.48Š|
| 366 | T | 38.6 | Very low | 38.5 | Very low | 125 Ų | 125 | 116.5 Ų | 116.5 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | -74.8 | 112 | 167.6 | 42.6 | 0 | 0 | 0 | 0 | 108.3 | P364 T368 | P364-T366 PolarHBondContact O-N 3.41Å; T366-T368 PolarHBondContact O-N 3.45Å | ||
| 367 | N | 31.4 | Very low | 37.1 | Very low | 164 Ų | 164 | 116.5 Ų | 116.5 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -60.8 | 105.6 | 173.5 | -76.8 | -39.7 | 0 | 0 | 0 | 109.4 | P365 | P365-N367 PolarHBondContact O-N 3.48Š| ||
| 368 | T | 33.7 | Very low | 36.4 | Very low | 127 Ų | 127 | 117.8 Ų | 117.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -121.7 | 119.9 | 157.6 | 42.6 | 0 | 0 | 0 | 0 | 108 | T366 | T366-T368 PolarHBondContact O-N 3.45Š| ||
| 369 | A | 30.3 | Very low | 35.5 | Very low | 103 Ų | 103 | 119 Ų | 119 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -76.6 | 125.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 370 | T | 33 | Very low | 34.7 | Very low | 140 Ų | 140 | 118.7 Ų | 118.7 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -143 | 126.6 | 151.9 | 16.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 371 | A | 27.3 | Very low | 33.9 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -73.5 | 171.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 372 | N | 29.3 | Very low | 33.4 | Very low | 168 Ų | 168 | 129.1 Ų | 129.1 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | 88.6 | 121.8 | -178.1 | -49.8 | -21.2 | 0 | 0 | 0 | 111.8 | ||||
| 373 | G | 25.4 | Very low | 32.8 | Very low | 64 Ų | 64 | 129.4 Ų | 129.4 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | cis | 156.8 | 137.3 | 9.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 374 | S | 27.4 | Very low | 32.8 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | 80.2 | 119.7 | 154.5 | -49.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 375 | S | 29.8 | Very low | 32.9 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | 73.2 | 118.9 | 146.6 | -73.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 376 | G | 29.5 | Very low | 32.4 | Very low | 78 Ų | 78 | 131.9 Ų | 131.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 148.8 | 78 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 377 | N | 27.6 | Very low | 32.3 | Very low | 166 Ų | 166 | 134 Ų | 134 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -5.3 | 122.7 | 156.7 | -68.8 | -22.8 | 0 | 0 | 0 | 118.2 | ||||
| 378 | S | 37.9 | Very low | 32.9 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 69% | 0.692 | 84% | 0.836 | S | S | * | * | -168.6 | 100.2 | 124.7 | 42.3 | 0 | 0 | 0 | 0 | 110.9 | L380 | S378-L380 PolarHBondContact O-N 3.44Š| |||
| 379 | S | 33.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | trans | -55.9 | 93.4 | 162.3 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 380 | L | 36.5 | Very low | 32.9 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 73% | 0.733 | 84% | 0.838 | S | S | * | * | trans | -118.6 | 12.3 | 174.1 | -86.9 | 177.8 | 0 | 0 | 0 | 115.6 | S378 | S378-L380 PolarHBondContact O-N 3.44Š| ||
| 381 | F | 34.1 | Very low | 32.9 | Very low | 211 Ų | 211 | 140.3 Ų | 140.3 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | trans | -133.9 | 67.5 | 171 | -78.1 | -81.4 | 0 | 0 | 0 | 112.6 | ||||
| 382 | R | 33.1 | Very low | 33.3 | Very low | 238 Ų | 238 | 143.6 Ų | 143.6 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -138.3 | 122.5 | 154 | -118.9 | 171.2 | -177.6 | 169.9 | -0.1 | 110.9 | ||
| 383 | S | 32.3 | Very low | 33.5 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 72% | 0.72 | 84% | 0.841 | S | S | * | * | trans | 74.5 | 88.1 | 153.4 | -57.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 384 | V | 41.1 | Very low | 34.1 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 83% | 0.83 | 85% | 0.853 | S | S | * | * | trans | -123.4 | 67.8 | 130.7 | -168.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 385 | A | 40 | Very low | 34.5 | Very low | 90 Ų | 90 | 149 Ų | 149 | 74% | 0.744 | 85% | 0.853 | S | S | * | * | trans | -107 | 8.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 386 | N | 29.1 | Very low | 34.9 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | trans | -116.9 | 83.9 | 173.6 | -82.2 | -3.5 | 0 | 0 | 0 | 109.9 | ||||
| 387 | M | 36.4 | Very low | 35.4 | Very low | 170 Ų | 170 | 156.4 Ų | 156.4 | 84% | 0.837 | 85% | 0.851 | S | S | * | * | trans | -135.1 | 101.2 | 143.3 | -78.7 | -155 | 170.9 | 0 | 0 | 105.9 | ||||
| 388 | I | 42.6 | Very low | 36.1 | Very low | 246 Ų | 246 | 155.5 Ų | 155.5 | 100% | 1.262 | 85% | 0.848 | S | S | * | * | trans | -7.9 | 0 | 172.2 | -59.8 | 165.9 | 0 | 0 | 0 | 115.3 |
Retrieved 388 of 388 residues in 136.4 ms
(Link to these results)