| 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 | 30.2 | Very low | 42 | Very low | 249 Ų | 249 | 127.3 Ų | 127.3 | 100% | 1.227 | 71% | 0.713 | S | S | * | * | 0 | 102.8 | 0 | -76.7 | 161.8 | 153.3 | 0 | 0 | 108.2 | |||||
| 2 | S | 32.5 | Very low | 41.4 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | -100.1 | 95.8 | 173 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | R4 | S2-R4 PolarHBondContact O-N 3.3Š| ||
| 3 | A | 39.6 | Very low | 40.7 | Very low | 76 Ų | 76 | 129 Ų | 129 | 63% | 0.628 | 72% | 0.719 | S | S | * | * | trans | -72.3 | 117.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | C5 | A3-C5 PolarHBondContact O-N 2.9Š| ||
| 4 | R | 44.4 | Very low | 40.1 | Very low | 238 Ų | 238 | 129.7 Ų | 129.7 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | trans | -75 | 117.1 | 173.3 | -76.4 | -177.1 | -178.4 | -177.8 | 0.4 | 108.5 | S2 S6 | S2-R4 PolarHBondContact O-N 3.3Å; R4-S6 PolarHBondContact O-N 3Å | ||
| 5 | C | 48.2 | Very low | 39.8 | Very low | 33 Ų | 33 | 127.9 Ų | 127.9 | 22% | 0.223 | 72% | 0.716 | C | S | . | * | trans | -71.8 | 113.5 | 165.1 | -65.6 | 0 | 0 | 0 | 0 | 109.1 | A3 C84 R116 | A3-C5 PolarHBondContact O-N 2.9Å; C5-C84 HydrophobicContact CB-CB 3.43Å; C5-C84 VanDerWaalsContact CB-CB 3.43Å; C5-C84 WeakPolarHBondContact CB-SG 3.3Å; C5-C84 WeakPolarHBondContact SG-CB 3.47Å; C5-R116 PolarHBondContact O-NH2 2.74Å | ||
| 6 | S | 45.2 | Very low | 39.5 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | trans | -100.7 | 86.7 | 170.5 | -156.4 | 0 | 0 | 0 | 0 | 107.9 | R4 | R4-S6 PolarHBondContact O-N 3Š| ||
| 7 | L | 51.1 | Low | 39 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 36% | 0.361 | 72% | 0.722 | S | S | . | * | trans | -75.8 | 118.7 | 162 | -84.4 | 158.9 | 0 | 0 | 0 | 106.5 | D9 C84 Q86 | L7-D9 PolarHBondContact O-N 3.03Å; L7-C84 HydrophobicContact CD1-CB 3.89Å; L7-C84 VanDerWaalsContact CD1-SG 3.52Å; L7-C84 HydrophobicContact CG-CB 4.16Å; L7-Q86 HydrophobicContact CD1-CB 4.24Å | ||
| 8 | A | 45.6 | Very low | 38.6 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -62.1 | 118.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | S10 | A8-S10 PolarHBondContact O-N 3.12Š| ||
| 9 | D | 39.9 | Very low | 38.4 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | trans | -65.6 | 103.9 | 177.1 | -172.2 | -0.3 | 0 | 0 | 0 | 108.8 | L7 R11 | L7-D9 PolarHBondContact O-N 3.03Å; D9-R11 PolarHBondContact O-N 3Å; D9-R11 PolarHBondContact OD1-N 3.01Å; D9-R11 VanDerWaalsContact OD1-N 3.16Å | ||
| 10 | S | 39.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 7.6 | -178.6 | 179.5 | 0 | 0 | 0 | 0 | 112.6 | A8 | A8-S10 PolarHBondContact O-N 3.12Š|
| 11 | R | 46 | Very low | 38.7 | Very low | 172 Ų | 172 | 130 Ų | 130 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 25.3 | -172.2 | -62.3 | -169.2 | -171.5 | 173.2 | 6.4 | 114.7 | D9 D89 | D9-R11 PolarHBondContact O-N 3Å; D9-R11 PolarHBondContact OD1-N 3.01Å; D9-R11 VanDerWaalsContact OD1-N 3.16Å; R11-D89 IonicContact CZ-OD2 3.83Å; R11-D89 IonicContact NH1-OD2 2.81Å; R11-D89 PolarHBondContact NH1-OD2 2.71Å |
| 12 | Q | 34.5 | Very low | 38.8 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -69.1 | 136.2 | 159.1 | -70.2 | -159.6 | -54.3 | 0 | 0 | 109.5 | L14 | Q12-L14 PolarHBondContact O-N 2.96Š|
| 13 | P | 32.5 | Very low | 38.9 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.9 | 178.4 | 21.4 | -25.7 | 0 | 0 | 0 | 108.6 | ||
| 14 | L | 32.8 | Very low | 38.8 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58 | 131.8 | 176 | -70.5 | 166.6 | 0 | 0 | 0 | 108.4 | Q12 Y17 | Q12-L14 PolarHBondContact O-N 2.96Å; L14-Y17 HydrophobicContact CD1-CE2 4.46Å |
| 15 | P | 34.5 | Very low | 38.5 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -58 | 152.7 | 166 | 26.2 | -32.4 | 0 | 0 | 0 | 109.4 | Y17 | P15-Y17 PolarHBondContact O-N 3.27Š|
| 16 | P | 35.6 | Very low | 37.9 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 129.5 | -175.7 | 22.8 | -32.1 | 0 | 0 | 0 | 110.3 | D18 | P16-D18 PolarHBondContact O-N 2.8Å; P16-D18 VanDerWaalsContact O-N 3.12Å |
| 17 | Y | 31.6 | Very low | 37.3 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | trans | -58.9 | 111.6 | 178.6 | -108.9 | -93.4 | 0 | 0 | 0 | 110 | L14 P15 | L14-Y17 HydrophobicContact CD1-CE2 4.46Å; P15-Y17 PolarHBondContact O-N 3.27Å | ||
| 18 | D | 30.2 | Very low | 36.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | trans | -81.7 | 113.8 | 165.6 | -165.1 | -14.7 | 0 | 0 | 0 | 108.4 | P16 A20 | P16-D18 PolarHBondContact O-N 2.8Å; P16-D18 VanDerWaalsContact O-N 3.12Å; D18-A20 PolarHBondContact O-N 3.24Å; D18-A20 VanDerWaalsContact O-N 3.14Å; D18-A20 PolarHBondContact OD1-N 2.9Å | ||
| 19 | F | 36.3 | Very low | 35.9 | Very low | 198 Ų | 198 | 139 Ų | 139 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 7.5 | -174.8 | -111.3 | -91.5 | 0 | 0 | 0 | 113.7 | ||
| 20 | A | 40.7 | Very low | 35.6 | Very low | 79 Ų | 79 | 138 Ų | 138 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | D18 | D18-A20 PolarHBondContact O-N 3.24Å; D18-A20 VanDerWaalsContact O-N 3.14Å; D18-A20 PolarHBondContact OD1-N 2.9Å |
| 21 | T | 41.7 | Very low | 35.3 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 63% | 0.632 | 75% | 0.748 | S | S | * | * | trans | -134 | 99.5 | -178.6 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | Q23 | T21-Q23 PolarHBondContact O-N 3.18Š| ||
| 22 | G | 32 | Very low | 34.9 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 92% | 0.918 | 76% | 0.757 | S | S | * | * | trans | -67.1 | 62.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 23 | Q | 35.7 | Very low | 35.3 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -116.4 | 112.6 | 176.8 | -105.5 | 163.3 | -23.9 | 0 | 0 | 110 | T21 | T21-Q23 PolarHBondContact O-N 3.18Š| ||
| 24 | L | 36.5 | Very low | 35.8 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -56.9 | 138.9 | 167.7 | -94.5 | 85.4 | 0 | 0 | 0 | 109.9 | L26 | L24-L26 PolarHBondContact O-N 2.73Å; L24-L26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | P | 37.6 | Very low | 36 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | trans | -72.5 | 108.2 | 172.7 | 29.7 | -30.5 | 0 | 0 | 0 | 108.9 | R27 | P25-R27 PolarHBondContact O-N 3.31Å; P25-R27 VanDerWaalsContact O-N 3.12Å | ||
| 26 | L | 35.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -56.9 | 113.8 | 163.2 | -98.8 | 132.3 | 0 | 0 | 0 | 108.2 | L24 V28 | L24-L26 PolarHBondContact O-N 2.73Å; L24-L26 VanDerWaalsContact O-N 3.09Å; L26-V28 VanDerWaalsContact C-N 3.33Å; L26-V28 PolarHBondContact O-N 3.19Å | ||
| 27 | R | 34.3 | Very low | 36.5 | Very low | 236 Ų | 236 | 133.2 Ų | 133.2 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | trans | -65.9 | 95.4 | 166.4 | -78.6 | -173.8 | 168.1 | -175.3 | -2.8 | 108.3 | P25 L29 | P25-R27 PolarHBondContact O-N 3.31Å; P25-R27 VanDerWaalsContact O-N 3.12Å; R27-L29 PolarHBondContact O-N 2.96Å | ||
| 28 | V | 35.7 | Very low | 36.9 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | trans | -72.8 | 106.7 | 169.3 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | L26 C30 | L26-V28 VanDerWaalsContact C-N 3.33Å; L26-V28 PolarHBondContact O-N 3.19Å; V28-C30 VanDerWaalsContact C-N 3.3Å; V28-C30 PolarHBondContact O-N 3.48Å | ||
| 29 | L | 31.5 | Very low | 37.2 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -70.2 | 91.2 | 164.9 | -126.8 | 100.4 | 0 | 0 | 0 | 107.4 | R27 V31 | R27-L29 PolarHBondContact O-N 2.96Å; L29-V31 PolarHBondContact O-N 3.05Å | ||
| 30 | C | 32.1 | Very low | 37.4 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | -74 | 87.7 | 173.4 | -91.2 | 0 | 0 | 0 | 0 | 110 | V28 L32 | V28-C30 VanDerWaalsContact C-N 3.3Å; V28-C30 PolarHBondContact O-N 3.48Å; C30-L32 PolarHBondContact O-N 3.38Å | ||
| 31 | V | 33.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | trans | -83 | 97.3 | 152.4 | -171.7 | 0 | 0 | 0 | 0 | 106.1 | L29 V33 | L29-V31 PolarHBondContact O-N 3.05Å; V31-V33 HydrophobicContact CG1-CG2 3.71Å; V31-V33 PolarHBondContact O-N 3.39Å | ||
| 32 | L | 39.2 | Very low | 37.1 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -69.6 | 75.9 | 169.8 | -81.3 | 163.7 | 0 | 0 | 0 | 109.1 | C30 S34 | C30-L32 PolarHBondContact O-N 3.38Å; L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3.43Å | ||
| 33 | V | 42.6 | Very low | 37.2 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 60% | 0.6 | 75% | 0.749 | S | S | * | * | trans | -81.1 | 89.3 | 155.5 | -173.1 | 0 | 0 | 0 | 0 | 105.7 | V31 L35 | V31-V33 HydrophobicContact CG1-CG2 3.71Å; V31-V33 PolarHBondContact O-N 3.39Å; V33-L35 PolarHBondContact O-N 2.89Å | ||
| 34 | S | 42.8 | Very low | 37.6 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | -56 | 111.7 | 162.9 | -170.7 | 0 | 0 | 0 | 0 | 107.2 | L32 | L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3.43Å | ||
| 35 | L | 36.8 | Very low | 37.7 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 162.6 | 110.6 | 131.3 | -81 | 154.6 | 0 | 0 | 0 | 109.8 | V33 | V33-L35 PolarHBondContact O-N 2.89Š|
| 36 | T | 42.6 | Very low | 37.9 | Very low | 91 Ų | 91 | 137 Ų | 137 | 56% | 0.558 | 76% | 0.755 | S | S | * | * | trans | 72.9 | 94.5 | 159.2 | 66.5 | 0 | 0 | 0 | 0 | 118.6 | H38 | T36-H38 PolarHBondContact O-N 3.39Š| ||
| 37 | V | 38.6 | Very low | 38.1 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -77.4 | 102.5 | 152.4 | 176.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 38 | H | 39.3 | Very low | 38.7 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | -89.2 | 96.8 | 161.9 | -90.2 | 76.5 | 0 | 0 | 0 | 108.3 | T36 Y40 | T36-H38 PolarHBondContact O-N 3.39Å; H38-Y40 HydrophobicContact CB-CD2 4.39Å; H38-Y40 HydrophobicContact CB-CE2 4.28Å; H38-Y40 PolarHBondContact O-N 3.03Å | ||
| 39 | C | 35.5 | Very low | 39.3 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | -73.6 | 107.4 | 164.5 | -75.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 40 | Y | 40.5 | Very low | 40.1 | Very low | 202 Ų | 202 | 126.3 Ų | 126.3 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -89.9 | 106.6 | 162.1 | -84.3 | -86.9 | 0 | 0 | 0 | 108.8 | H38 | H38-Y40 HydrophobicContact CB-CD2 4.39Å; H38-Y40 HydrophobicContact CB-CE2 4.28Å; H38-Y40 PolarHBondContact O-N 3.03Å | ||
| 41 | A | 35 | Very low | 40.8 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | trans | -76.4 | 136.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | F43 | A41-F43 PolarHBondContact O-N 3.44Š| ||
| 42 | P | 41.1 | Very low | 41.4 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -76.1 | 107.3 | 173.7 | 30.6 | -28.9 | 0 | 0 | 0 | 108.1 | V44 | P42-V44 PolarHBondContact O-N 3.4Š| ||
| 43 | F | 35.6 | Very low | 42.2 | Very low | 208 Ų | 208 | 125.8 Ų | 125.8 | 91% | 0.912 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 121.2 | 175.4 | -152.2 | -93.5 | 0 | 0 | 0 | 110.1 | A41 | A41-F43 PolarHBondContact O-N 3.44Š|
| 44 | V | 42.9 | Very low | 42.6 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 137.8 | 179.5 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | P42 G46 | P42-V44 PolarHBondContact O-N 3.4Å; V44-G46 PolarHBondContact O-N 2.89Å |
| 45 | K | 39.3 | Very low | 43 | Very low | 212 Ų | 212 | 126.5 Ų | 126.5 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 117.5 | 174.6 | -75 | 175.2 | 176.7 | 174.4 | 0 | 111 | ||
| 46 | G | 40.8 | Very low | 43.4 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | -118.2 | 122.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V44 | V44-G46 PolarHBondContact O-N 2.89Š| ||
| 47 | A | 41.1 | Very low | 43.6 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -75.5 | 135.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 48 | A | 46 | Very low | 44 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | trans | -170.3 | 112.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 49 | T | 48.5 | Very low | 44.6 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 49.2 | 110.1 | 136.1 | 62.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 50 | S | 48.1 | Very low | 45.7 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | 39.6 | 103.9 | 136.4 | 62.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 51 | G | 47.7 | Very low | 46.9 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -175.4 | 100 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L53 | G51-L53 PolarHBondContact O-N 2.82Š| ||
| 52 | S | 46 | Very low | 48.7 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -69.3 | 108.1 | -174.6 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 53 | L | 54.7 | Low | 50.4 | Low | 159 Ų | 159 | 131.5 Ų | 131.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -145.7 | 134.7 | 154.8 | -81.3 | 172 | 0 | 0 | 0 | 108.4 | G51 A55 | G51-L53 PolarHBondContact O-N 2.82Å; L53-A55 PolarHBondContact O-N 3.38Å | ||
| 54 | P | 51.2 | Low | 52.6 | Low | 119 Ų | 119 | 126.4 Ų | 126.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -72.6 | 102.9 | 173 | 30 | -29 | 0 | 0 | 0 | 107.7 | M56 | P54-M56 VanDerWaalsContact C-N 3.25Å; P54-M56 PolarHBondContact O-N 2.87Å | ||
| 55 | A | 50.7 | Low | 54.4 | Low | 94 Ų | 94 | 124.1 Ų | 124.1 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | trans | -63.7 | 95 | 161.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | L53 L57 | L53-A55 PolarHBondContact O-N 3.38Å; A55-L57 PolarHBondContact O-N 3.49Å | ||
| 56 | M | 47.1 | Very low | 56.6 | Low | 185 Ų | 185 | 119.2 Ų | 119.2 | 91% | 0.911 | 72% | 0.718 | S | S | * | * | trans | -55.8 | 112.5 | 169.1 | -109.1 | -159.8 | -173 | 0 | 0 | 107.6 | P54 Y58 | P54-M56 VanDerWaalsContact C-N 3.25Å; P54-M56 PolarHBondContact O-N 2.87Å; M56-Y58 PolarHBondContact O-N 3.28Å | ||
| 57 | L | 44.9 | Very low | 58.8 | Low | 156 Ų | 156 | 119 Ų | 119 | 82% | 0.817 | 70% | 0.698 | S | S | * | * | trans | -48.5 | 100.8 | 177.7 | -72.1 | 140.3 | 0 | 0 | 0 | 111.2 | A55 A59 | A55-L57 PolarHBondContact O-N 3.49Å; L57-A59 HydrophobicContact CB-CB 4.12Å; L57-A59 HydrophobicContact CD2-CB 3.88Å; L57-A59 PolarHBondContact O-N 3.04Å; L57-A59 VanDerWaalsContact O-N 3.12Å | ||
| 58 | Y | 48.9 | Very low | 61.1 | Low | 228 Ų | 228 | 117.5 Ų | 117.5 | 89% | 0.894 | 68% | 0.678 | S | S | * | * | trans | -77.8 | 51.9 | 145.8 | -108 | -87.3 | 0 | 0 | 0 | 108.6 | M56 R60 | M56-Y58 PolarHBondContact O-N 3.28Å; Y58-R60 PolarHBondContact O-N 2.8Å | ||
| 59 | A | 52.2 | Low | 63.1 | Low | 73 Ų | 73 | 120.2 Ų | 120.2 | 60% | 0.603 | 67% | 0.67 | S | S | * | * | trans | -79.4 | 73.2 | 163 | 0 | 0 | 0 | 0 | 0 | 106.4 | L57 S61 | L57-A59 HydrophobicContact CB-CB 4.12Å; L57-A59 HydrophobicContact CD2-CB 3.88Å; L57-A59 PolarHBondContact O-N 3.04Å; L57-A59 VanDerWaalsContact O-N 3.12Å; A59-S61 VanDerWaalsContact C-N 3.35Å; A59-S61 PolarHBondContact O-N 2.89Å | ||
| 60 | R | 56.8 | Low | 65.1 | Low | 190 Ų | 190 | 117.2 Ų | 117.2 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | trans | -59.8 | 107.5 | 164.5 | -167 | 172.9 | -169.5 | 171 | 1.9 | 104.6 | Y58 D62 | Y58-R60 PolarHBondContact O-N 2.8Å; R60-D62 PolarHBondContact O-N 3.47Å | ||
| 61 | S | 66.2 | Low | 67.1 | Low | 59 Ų | 59 | 116 Ų | 116 | 41% | 0.413 | 64% | 0.641 | S | S | . | * | trans | -49.2 | 125.6 | -168.3 | 38 | 0 | 0 | 0 | 0 | 110.2 | A59 L63 E64 | A59-S61 VanDerWaalsContact C-N 3.35Å; A59-S61 PolarHBondContact O-N 2.89Å; S61-L63 PolarHBondContact O-N 3.36Å; S61-E64 WeakPolarHBondContact O-CB 3.17Å; S61-E64 PolarHBondContact O-N 3.33Å; S61-E64 WeakPolarHBondContact OG-CG 3.28Å | ||
| 62 | D | 72.8 | Confident | 69.1 | Low | 129 Ų | 129 | 116 Ų | 116 | 69% | 0.69 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -48.1 | -29.4 | 177.7 | -64.6 | -48 | 0 | 0 | 0 | 111.8 | R60 I65 I66 | R60-D62 PolarHBondContact O-N 3.47Å; D62-I65 PolarHBondContact O-N 3.25Å; D62-I66 WeakPolarHBondContact O-CD1 3.41Å; D62-I66 VanDerWaalsContact O-CG1 3.24Å; D62-I66 WeakPolarHBondContact O-CG1 3.17Å; D62-I66 PolarHBondContact O-N 3.46Å |
| 63 | L | 77.6 | Confident | 71.2 | Confident | 112 Ų | 112 | 112.2 Ų | 112.2 | 59% | 0.586 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.3 | -41.4 | 174.2 | -165.9 | 66.8 | 0 | 0 | 0 | 114.1 | S61 I66 I67 | S61-L63 PolarHBondContact O-N 3.36Å; L63-I66 PolarHBondContact O-N 3.38Å; L63-I67 HydrophobicContact CD1-CD1 4.49Å; L63-I67 HydrophobicContact CD2-CD1 4.47Å; L63-I67 HydrophobicContact CG-CD1 3.89Å; L63-I67 WeakPolarHBondContact O-CB 3.45Å; L63-I67 WeakPolarHBondContact O-CD1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.24Å; L63-I67 PolarHBondContact O-N 3.3Å |
| 64 | E | 81.5 | Confident | 72.8 | Confident | 102 Ų | 102 | 109.4 Ų | 109.4 | 48% | 0.477 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.7 | -39.8 | 179.2 | -71.4 | -72.2 | 149.6 | 0 | 0 | 110.7 | S61 I67 T68 | S61-E64 WeakPolarHBondContact O-CB 3.17Å; S61-E64 PolarHBondContact O-N 3.33Å; S61-E64 WeakPolarHBondContact OG-CG 3.28Å; E64-I67 PolarHBondContact O-N 3.27Å; E64-T68 VanDerWaalsContact O-CG2 3.28Å; E64-T68 WeakPolarHBondContact O-CG2 3.29Å; E64-T68 PolarHBondContact O-N 3.45Å; E64-T68 PolarHBondContact O-OG1 2.88Å |
| 65 | I | 80.1 | Confident | 74.4 | Confident | 71 Ų | 71 | 108.8 Ų | 108.8 | 36% | 0.364 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.1 | -49.1 | 176.4 | -62 | 175.2 | 0 | 0 | 0 | 109.3 | D62 I67 T68 W69 | D62-I65 PolarHBondContact O-N 3.25Å; I65-I67 VanDerWaalsContact C-N 3.33Å; I65-I67 PolarHBondContact O-N 2.83Å; I65-T68 PolarHBondContact O-N 2.66Å; I65-T68 PolarHBondContact O-OG1 2.9Å; I65-W69 PolarHBondContact O-N 3.41Å |
| 66 | I | 85.3 | Confident | 76.1 | Confident | 109 Ų | 109 | 107.8 Ų | 107.8 | 56% | 0.559 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.7 | -44.1 | 177.9 | -66 | 163.8 | 0 | 0 | 0 | 111.4 | D62 L63 T68 W69 A70 | D62-I66 WeakPolarHBondContact O-CD1 3.41Å; D62-I66 VanDerWaalsContact O-CG1 3.24Å; D62-I66 WeakPolarHBondContact O-CG1 3.17Å; D62-I66 PolarHBondContact O-N 3.46Å; L63-I66 PolarHBondContact O-N 3.38Å; I66-T68 PolarHBondContact O-N 3.12Å; I66-W69 PolarHBondContact O-N 3.46Å; I66-A70 WeakPolarHBondContact O-CB 3.45Å; I66-A70 PolarHBondContact O-N 2.99Å |
| 67 | I | 87.7 | Confident | 77.7 | Confident | 71 Ų | 71 | 103.3 Ų | 103.3 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 177.8 | -70.4 | 165.7 | 0 | 0 | 0 | 110.7 | L63 E64 I65 W69 A70 I71 | L63-I67 HydrophobicContact CD1-CD1 4.49Å; L63-I67 HydrophobicContact CD2-CD1 4.47Å; L63-I67 HydrophobicContact CG-CD1 3.89Å; L63-I67 WeakPolarHBondContact O-CB 3.45Å; L63-I67 WeakPolarHBondContact O-CD1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.24Å; L63-I67 PolarHBondContact O-N 3.3Å; E64-I67 PolarHBondContact O-N 3.27Å; I65-I67 VanDerWaalsContact C-N 3.33Å; I65-I67 PolarHBondContact O-N 2.83Å; I67-W69 PolarHBondContact O-N 3.21Å; I67-A70 PolarHBondContact O-N 3.12Å; I67-I71 HydrophobicContact CG2-CD1 3.62Å; I67-I71 HydrophobicContact CG2-CG1 4.27Å; I67-I71 WeakPolarHBondContact O-CB 3.38Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.35Å; I67-I71 PolarHBondContact O-N 3.34Å |
| 68 | T | 88.3 | Confident | 79.1 | Confident | 77 Ų | 77 | 103.4 Ų | 103.4 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 178.4 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | E64 I65 I66 I71 L72 | E64-T68 VanDerWaalsContact O-CG2 3.28Å; E64-T68 WeakPolarHBondContact O-CG2 3.29Å; E64-T68 PolarHBondContact O-N 3.45Å; E64-T68 PolarHBondContact O-OG1 2.88Å; I65-T68 PolarHBondContact O-N 2.66Å; I65-T68 PolarHBondContact O-OG1 2.9Å; I66-T68 PolarHBondContact O-N 3.12Å; T68-I71 PolarHBondContact O-N 2.83Å; T68-L72 VanDerWaalsContact O-CB 3.28Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 PolarHBondContact O-N 3.4Å |
| 69 | W | 88.4 | Confident | 80.3 | Confident | 145 Ų | 145 | 97.8 Ų | 97.8 | 55% | 0.549 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 175.1 | -73.9 | 108.3 | 0 | 0 | 0 | 112.5 | I65 I66 I67 L72 G73 | I65-W69 PolarHBondContact O-N 3.41Å; I66-W69 PolarHBondContact O-N 3.46Å; I67-W69 PolarHBondContact O-N 3.21Å; W69-L72 HydrophobicContact CE3-CD2 4.14Å; W69-L72 HydrophobicContact CZ3-CD2 4.11Å; W69-L72 PolarHBondContact O-N 2.89Å; W69-G73 PolarHBondContact O-N 3.39Å |
| 70 | A | 90.6 | Very high | 80.9 | Confident | 63 Ų | 63 | 99.3 Ų | 99.3 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I66 I67 G73 L74 | I66-A70 WeakPolarHBondContact O-CB 3.45Å; I66-A70 PolarHBondContact O-N 2.99Å; I67-A70 PolarHBondContact O-N 3.12Å; A70-G73 PolarHBondContact O-N 3.07Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 PolarHBondContact O-N 3.23Å |
| 71 | I | 91 | Very high | 81.1 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 175.3 | -68.9 | 169.9 | 0 | 0 | 0 | 110.6 | I67 T68 L74 L75 | I67-I71 HydrophobicContact CG2-CD1 3.62Å; I67-I71 HydrophobicContact CG2-CG1 4.27Å; I67-I71 WeakPolarHBondContact O-CB 3.38Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.35Å; I67-I71 PolarHBondContact O-N 3.34Å; T68-I71 PolarHBondContact O-N 2.83Å; I71-L74 PolarHBondContact O-N 3.4Å; I71-L75 HydrophobicContact CG2-CD1 3.88Å; I71-L75 WeakPolarHBondContact O-CB 3.46Å; I71-L75 PolarHBondContact O-N 2.94Å |
| 72 | L | 89.6 | Confident | 80.8 | Confident | 80 Ų | 80 | 99 Ų | 99 | 42% | 0.419 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 177.6 | -178.5 | 62.1 | 0 | 0 | 0 | 111.6 | T68 W69 L74 L75 I76 | T68-L72 VanDerWaalsContact O-CB 3.28Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 PolarHBondContact O-N 3.4Å; W69-L72 HydrophobicContact CE3-CD2 4.14Å; W69-L72 HydrophobicContact CZ3-CD2 4.11Å; W69-L72 PolarHBondContact O-N 2.89Å; L72-L74 VanDerWaalsContact C-N 3.3Å; L72-L74 PolarHBondContact O-N 3.29Å; L72-L75 PolarHBondContact O-N 3Å; L72-I76 HydrophobicContact CD1-CD1 4.04Å; L72-I76 HydrophobicContact CD1-CG1 4.27Å; L72-I76 HydrophobicContact CG-CD1 3.83Å; L72-I76 HydrophobicContact CG-CG1 4.46Å; L72-I76 WeakPolarHBondContact O-CB 3.21Å; L72-I76 WeakPolarHBondContact O-CG1 3.41Å; L72-I76 PolarHBondContact O-N 3.48Å |
| 73 | G | 89.4 | Confident | 80.2 | Confident | 40 Ų | 40 | 97.3 Ų | 97.3 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | W69 A70 I76 S77 | W69-G73 PolarHBondContact O-N 3.39Å; A70-G73 PolarHBondContact O-N 3.07Å; G73-I76 PolarHBondContact O-N 2.87Å; G73-S77 WeakPolarHBondContact O-CB 3.21Å; G73-S77 PolarHBondContact O-N 3Å |
| 74 | L | 88.3 | Confident | 80 | Confident | 100 Ų | 100 | 93 Ų | 93 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 173.9 | -172.6 | 132.1 | 0 | 0 | 0 | 111.2 | A70 I71 L72 I76 S77 F78 | A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 PolarHBondContact O-N 3.23Å; I71-L74 PolarHBondContact O-N 3.4Å; L72-L74 VanDerWaalsContact C-N 3.3Å; L72-L74 PolarHBondContact O-N 3.29Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 2.97Å; L74-S77 PolarHBondContact O-N 3.35Å; L74-S77 VanDerWaalsContact O-N 3.12Å; L74-S77 PolarHBondContact O-OG 3.02Å; L74-F78 HydrophobicContact CD1-CE2 4.41Å; L74-F78 HydrophobicContact CD2-CD2 3.83Å; L74-F78 HydrophobicContact CD2-CE2 3.57Å; L74-F78 HydrophobicContact CG-CD2 4.05Å; L74-F78 HydrophobicContact CG-CE2 3.7Å; L74-F78 WeakPolarHBondContact O-CD2 3.45Å; L74-F78 PolarHBondContact O-N 3.34Å; L74-F78 VanDerWaalsContact O-N 3.07Å |
| 75 | L | 86.1 | Confident | 80.2 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.6 | -42.4 | 174.5 | -103.2 | 144.1 | 0 | 0 | 0 | 112.6 | I71 L72 S77 F78 L79 | I71-L75 HydrophobicContact CG2-CD1 3.88Å; I71-L75 WeakPolarHBondContact O-CB 3.46Å; I71-L75 PolarHBondContact O-N 2.94Å; L72-L75 PolarHBondContact O-N 3Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-F78 PolarHBondContact O-N 3Å; L75-L79 PolarHBondContact O-N 3.35Å |
| 76 | I | 84.4 | Confident | 80.7 | Confident | 74 Ų | 74 | 95.6 Ų | 95.6 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 176.2 | -68.6 | 166.8 | 0 | 0 | 0 | 110.5 | L72 G73 L74 F78 L79 | L72-I76 HydrophobicContact CD1-CD1 4.04Å; L72-I76 HydrophobicContact CD1-CG1 4.27Å; L72-I76 HydrophobicContact CG-CD1 3.83Å; L72-I76 HydrophobicContact CG-CG1 4.46Å; L72-I76 WeakPolarHBondContact O-CB 3.21Å; L72-I76 WeakPolarHBondContact O-CG1 3.41Å; L72-I76 PolarHBondContact O-N 3.48Å; G73-I76 PolarHBondContact O-N 2.87Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 2.97Å; I76-F78 PolarHBondContact O-N 2.9Å; I76-L79 WeakPolarHBondContact O-CB 3.37Å; I76-L79 PolarHBondContact O-N 2.85Å; I76-L79 VanDerWaalsContact O-N 3.12Å |
| 77 | S | 81.4 | Confident | 81 | Confident | 90 Ų | 90 | 90.9 Ų | 90.9 | 63% | 0.629 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.1 | -25.7 | 176.4 | 79.1 | 0 | 0 | 0 | 0 | 113.3 | G73 L74 L75 | G73-S77 WeakPolarHBondContact O-CB 3.21Å; G73-S77 PolarHBondContact O-N 3Å; L74-S77 PolarHBondContact O-N 3.35Å; L74-S77 VanDerWaalsContact O-N 3.12Å; L74-S77 PolarHBondContact O-OG 3.02Å; L75-S77 VanDerWaalsContact C-N 3.33Å |
| 78 | F | 74.4 | Confident | 81.2 | Confident | 158 Ų | 158 | 91.2 Ų | 91.2 | 69% | 0.693 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.7 | 174.1 | -78.7 | -70 | 0 | 0 | 0 | 113.8 | L74 L75 I76 | L74-F78 HydrophobicContact CD1-CE2 4.41Å; L74-F78 HydrophobicContact CD2-CD2 3.83Å; L74-F78 HydrophobicContact CD2-CE2 3.57Å; L74-F78 HydrophobicContact CG-CD2 4.05Å; L74-F78 HydrophobicContact CG-CE2 3.7Å; L74-F78 WeakPolarHBondContact O-CD2 3.45Å; L74-F78 PolarHBondContact O-N 3.34Å; L74-F78 VanDerWaalsContact O-N 3.07Å; L75-F78 PolarHBondContact O-N 3Å; I76-F78 PolarHBondContact O-N 2.9Å |
| 79 | L | 74.2 | Confident | 81.4 | Confident | 110 Ų | 110 | 89 Ų | 89 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -68.8 | 128.4 | 174.3 | -73.5 | 170.4 | 0 | 0 | 0 | 109 | L75 I76 I81 | L75-L79 PolarHBondContact O-N 3.35Å; I76-L79 WeakPolarHBondContact O-CB 3.37Å; I76-L79 PolarHBondContact O-N 2.85Å; I76-L79 VanDerWaalsContact O-N 3.12Å; L79-I81 PolarHBondContact O-N 3.34Å |
| 80 | P | 64 | Low | 81.6 | Confident | 106 Ų | 106 | 82.8 Ų | 82.8 | 69% | 0.688 | 47% | 0.47 | S | S | * | . | trans | -62.1 | 114.8 | 176.3 | 25.5 | -32.1 | 0 | 0 | 0 | 108.2 | V82 | P80-V82 VanDerWaalsContact C-N 3.3Å; P80-V82 PolarHBondContact O-N 2.78Å | ||
| 81 | I | 62.6 | Low | 81.7 | Confident | 153 Ų | 153 | 84.9 Ų | 84.9 | 79% | 0.785 | 47% | 0.465 | S | S | * | . | trans | -66.6 | 97.5 | 170 | -57 | 172.6 | 0 | 0 | 0 | 105.6 | L79 S83 | L79-I81 PolarHBondContact O-N 3.34Å; I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 3.23Å | ||
| 82 | V | 59 | Low | 81.8 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | trans | -70.7 | 91.8 | 170.7 | -179.5 | 0 | 0 | 0 | 0 | 106.7 | P80 C84 | P80-V82 VanDerWaalsContact C-N 3.3Å; P80-V82 PolarHBondContact O-N 2.78Å; V82-C84 PolarHBondContact O-N 2.9Å | ||
| 83 | S | 61.1 | Low | 81.7 | Confident | 93 Ų | 93 | 77.9 Ų | 77.9 | 65% | 0.65 | 43% | 0.43 | S | S | * | . | trans | -67.5 | 113.7 | 174.9 | -62 | 0 | 0 | 0 | 0 | 108.9 | I81 | I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 3.23Å | ||
| 84 | C | 72.9 | Confident | 81.5 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 15% | 0.149 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -84 | 116.2 | 166.8 | -163.7 | 0 | 0 | 0 | 0 | 107.9 | C5 L7 V82 G114 | C5-C84 HydrophobicContact CB-CB 3.43Å; C5-C84 VanDerWaalsContact CB-CB 3.43Å; C5-C84 WeakPolarHBondContact CB-SG 3.3Å; C5-C84 WeakPolarHBondContact SG-CB 3.47Å; L7-C84 HydrophobicContact CD1-CB 3.89Å; L7-C84 VanDerWaalsContact CD1-SG 3.52Å; L7-C84 HydrophobicContact CG-CB 4.16Å; V82-C84 PolarHBondContact O-N 2.9Å; C84-G114 PolarHBondContact SG-O 2.88Å |
| 85 | R | 86.2 | Confident | 81.3 | Confident | 155 Ų | 155 | 75.4 Ų | 75.4 | 59% | 0.585 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -95 | 126.6 | 174.4 | -178.8 | -177.5 | 170.6 | 173.6 | -6.7 | 109.3 | L87 D115 R116 | R85-L87 HydrophobicContact CG-CD2 4.31Å; R85-D115 WeakPolarHBondContact CB-OD1 3.31Å; R85-D115 WeakPolarHBondContact O-CA 3.42Å; R85-R116 PolarHBondContact O-N 2.88Å |
| 86 | Q | 90.4 | Very high | 81.4 | Confident | 73 Ų | 73 | 71 Ų | 71 | 34% | 0.341 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -81.6 | 120.7 | 164.1 | -178.4 | 63.2 | 40 | 0 | 0 | 108.4 | L7 R116 N118 | L7-Q86 HydrophobicContact CD1-CB 4.24Å; Q86-R116 VanDerWaalsContact OE1-CB 3.24Å; Q86-N118 PolarHBondContact NE2-ND2 3.02Å; Q86-N118 VanDerWaalsContact NE2-ND2 3.19Å |
| 87 | L | 91.5 | Very high | 81.4 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 160.6 | 174.2 | -60.5 | 173 | 0 | 0 | 0 | 110.2 | R85 L109 V111 D115 R116 L117 | R85-L87 HydrophobicContact CG-CD2 4.31Å; L87-L109 HydrophobicContact CD1-CD2 4.27Å; L87-V111 HydrophobicContact CD1-CB 4.18Å; L87-V111 HydrophobicContact CD1-CG1 3.51Å; L87-D115 HydrophobicContact CD1-CB 3.97Å; L87-D115 HydrophobicContact CG-CB 4.21Å; L87-R116 WeakPolarHBondContact CB-O 3.33Å; L87-R116 PolarHBondContact N-O 3.12Å; L87-L117 HydrophobicContact CB-CD1 4.08Å; L87-L117 HydrophobicContact CD1-CB 4.28Å |
| 88 | A | 90.8 | Very high | 81.7 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 65% | 0.653 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 143.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | L117 | A88-L117 VanDerWaalsContact O-CD1 3.24Å; A88-L117 WeakPolarHBondContact O-CD1 3.36Å |
| 89 | D | 92.4 | Very high | 82.4 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 17% | 0.166 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 140.6 | -177.5 | -51.7 | -49.9 | 0 | 0 | 0 | 110.2 | R11 N118 L120 | R11-D89 IonicContact CZ-OD2 3.83Å; R11-D89 IonicContact NH1-OD2 2.81Å; R11-D89 PolarHBondContact NH1-OD2 2.71Å; D89-N118 WeakPolarHBondContact CA-O 3.34Å; D89-N118 HydrophobicContact CB-CB 4.45Å; D89-N118 VanDerWaalsContact OD1-CB 3.32Å; D89-N118 WeakPolarHBondContact OD1-CB 3.29Å; D89-N118 PolarHBondContact OD1-ND2 3.33Å; D89-L120 HydrophobicContact CB-CD1 3.72Å; D89-L120 HydrophobicContact CB-CG 3.98Å |
| 90 | V | 92.9 | Very high | 82.9 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 115.4 | 176.9 | 169.8 | 0 | 0 | 0 | 0 | 108.3 | W92 T98 L117 N118 I119 L120 M222 | V90-W92 HydrophobicContact CG1-CE3 4.25Å; V90-W92 PolarHBondContact O-N 3.24Å; V90-T98 HydrophobicContact CG1-CG2 4.18Å; V90-L117 HydrophobicContact CG2-CD1 3.92Å; V90-N118 PolarHBondContact N-O 3.16Å; V90-I119 CarbonylContact O-C 3.52Å; V90-I119 WeakPolarHBondContact O-CA 3.42Å; V90-L120 PolarHBondContact O-N 2.92Å; V90-M222 HydrophobicContact CG1-SD 4.43Å |
| 91 | Y | 92.6 | Very high | 83.9 | Confident | 106 Ų | 106 | 57.6 Ų | 57.6 | 42% | 0.416 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 113 | 176.4 | -70.9 | -95.2 | 0 | 0 | 0 | 109.5 | N93 S96 F99 L120 P313 | Y91-N93 PolarHBondContact O-N 3.09Å; Y91-S96 PolarHBondContact O-OG 3.12Å; Y91-S96 VanDerWaalsContact O-OG 3.09Å; Y91-F99 WeakPolarHBondContact O-CE2 3.47Å; Y91-L120 HydrophobicContact CD1-CB 4.2Å; Y91-L120 HydrophobicContact CD1-CD1 3.94Å; Y91-L120 HydrophobicContact CD2-CD1 4.48Å; Y91-L120 HydrophobicContact CE1-CB 4.49Å; Y91-L120 HydrophobicContact CE1-CD1 3.48Å; Y91-L120 VanDerWaalsContact CE1-CD1 3.48Å; Y91-L120 HydrophobicContact CE2-CD1 4.06Å; Y91-L120 HydrophobicContact CG-CD1 4.43Å; Y91-P313 HydrophobicContact CE1-CG 4.3Å |
| 92 | W | 93.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -86.3 | 58.3 | -176.3 | -156 | -87.7 | 0 | 0 | 0 | 112.5 | V90 F99 I119 L120 P122 I140 F196 T198 M220 M222 | V90-W92 HydrophobicContact CG1-CE3 4.25Å; V90-W92 PolarHBondContact O-N 3.24Å; W92-F99 HydrophobicContact CD2-CE2 4.32Å; W92-F99 AromaticContact CD2-CZ 3.84Å; W92-F99 HydrophobicContact CD2-CZ 3.84Å; W92-F99 HydrophobicContact CE3-CE2 4.37Å; W92-F99 AromaticContact CE3-CZ 3.61Å; W92-F99 HydrophobicContact CE3-CZ 3.61Å; W92-F99 HydrophobicContact CG-CZ 4.49Å; W92-F99 HydrophobicContact CH2-CE1 4.44Å; W92-F99 HydrophobicContact CH2-CZ 4.21Å; W92-F99 HydrophobicContact CZ2-CZ 4.41Å; W92-F99 HydrophobicContact CZ3-CE1 4.35Å; W92-F99 AromaticContact CZ3-CZ 3.81Å; W92-F99 HydrophobicContact CZ3-CZ 3.81Å; W92-I119 HydrophobicContact CB-CG2 3.65Å; W92-I119 HydrophobicContact CD2-CG2 4.09Å; W92-I119 HydrophobicContact CE3-CG2 3.69Å; W92-I119 HydrophobicContact CG-CG2 4.11Å; W92-L120 WeakPolarHBondContact CB-O 3.23Å; W92-L120 PolarHBondContact N-O 3.09Å; W92-P122 WeakPolarHBondContact O-CD 3.42Å; W92-P122 WeakPolarHBondContact O-CG 3.47Å; W92-I140 HydrophobicContact CB-CD1 4.01Å; W92-I140 HydrophobicContact CD2-CD1 3.7Å; W92-I140 HydrophobicContact CD2-CG1 4.21Å; W92-I140 HydrophobicContact CD2-CG2 4.46Å; W92-I140 HydrophobicContact CE3-CD1 4.28Å; W92-I140 HydrophobicContact CG-CD1 3.52Å; W92-I140 HydrophobicContact CG-CG1 4.17Å; W92-I140 HydrophobicContact CH2-CG2 4.11Å; W92-I140 HydrophobicContact CZ2-CG2 3.93Å; W92-I140 HydrophobicContact CZ3-CG2 4.43Å; W92-F196 HydrophobicContact CH2-CB 3.89Å; W92-F196 HydrophobicContact CZ3-CB 4.43Å; W92-T198 PolarHBondContact NE1-OG1 3.04Å; W92-M220 HydrophobicContact CG-CE 4.14Å; W92-M220 VanDerWaalsContact O-CE 3.27Å; W92-M220 WeakPolarHBondContact O-CE 3.5Å; W92-M222 HydrophobicContact CH2-CG 3.93Å; W92-M222 HydrophobicContact CZ3-CB 4.39Å; W92-M222 HydrophobicContact CZ3-CE 3.79Å; W92-M222 HydrophobicContact CZ3-CG 3.67Å; W92-M222 HydrophobicContact CZ3-SD 3.74Å | ||
| 93 | N | 87.8 | Confident | 86 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | trans | -126.6 | 138.8 | -177.3 | 178.2 | -34.9 | 0 | 0 | 0 | 109.6 | Y91 S95 S96 F99 P122 D135 | Y91-N93 PolarHBondContact O-N 3.09Å; N93-S95 PolarHBondContact O-N 2.82Å; N93-S95 PolarHBondContact OD1-N 3.45Å; N93-S95 PolarHBondContact OD1-OG 3Å; N93-S96 VanDerWaalsContact O-CB 3.31Å; N93-S96 WeakPolarHBondContact O-CB 3.27Å; N93-S96 PolarHBondContact O-N 3.41Å; N93-S96 PolarHBondContact O-OG 2.73Å; N93-F99 WeakPolarHBondContact O-CD2 3.49Å; N93-P122 HydrophobicContact CB-CG 4.12Å; N93-D135 VanDerWaalsContact CA-OD2 3.31Å; N93-D135 WeakPolarHBondContact CA-OD2 3.44Å; N93-D135 PolarHBondContact OD1-OD2 2.93Å | ||
| 94 | A | 86.2 | Confident | 87.1 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L100 D135 N218 M220 | A94-L100 WeakPolarHBondContact O-CD2 3.45Å; A94-D135 PolarHBondContact N-OD2 2.99Å; A94-N218 HydrophobicContact CB-CB 3.96Å; A94-M220 HydrophobicContact CB-CG 4.4Å; A94-M220 HydrophobicContact CB-SD 3.67Å |
| 95 | S | 84.1 | Confident | 87.7 | Confident | 76 Ų | 76 | 65.1 Ų | 65.1 | 53% | 0.531 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -1.6 | 178.3 | 71.8 | 0 | 0 | 0 | 0 | 114.1 | N93 L100 | N93-S95 PolarHBondContact O-N 2.82Å; N93-S95 PolarHBondContact OD1-N 3.45Å; N93-S95 PolarHBondContact OD1-OG 3Å; S95-L100 WeakPolarHBondContact O-CD1 3.24Å |
| 96 | S | 86.6 | Confident | 87.8 | Confident | 14 Ų | 14 | 58 Ų | 58 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -71.1 | 144.3 | 177 | 71.5 | 0 | 0 | 0 | 0 | 111.2 | Y91 N93 T98 F99 L100 | Y91-S96 PolarHBondContact O-OG 3.12Å; Y91-S96 VanDerWaalsContact O-OG 3.09Å; N93-S96 VanDerWaalsContact O-CB 3.31Å; N93-S96 WeakPolarHBondContact O-CB 3.27Å; N93-S96 PolarHBondContact O-N 3.41Å; N93-S96 PolarHBondContact O-OG 2.73Å; S96-T98 PolarHBondContact O-N 3.37Å; S96-F99 PolarHBondContact O-N 3.33Å; S96-F99 VanDerWaalsContact OG-CD2 3.26Å; S96-F99 WeakPolarHBondContact OG-CD2 3.35Å; S96-L100 PolarHBondContact O-N 2.94Å |
| 97 | A | 86 | Confident | 88 | Confident | 24 Ų | 24 | 56 Ų | 56 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.8 | -26.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F99 L101 V308 T310 | A97-F99 VanDerWaalsContact C-N 3.28Å; A97-F99 PolarHBondContact O-N 3.35Å; A97-L101 HydrophobicContact CB-CD1 3.81Å; A97-L101 HydrophobicContact CB-CG 4.19Å; A97-L101 VanDerWaalsContact O-CB 3.26Å; A97-L101 WeakPolarHBondContact O-CB 3.47Å; A97-L101 WeakPolarHBondContact O-CG 3.44Å; A97-L101 PolarHBondContact O-N 3.11Å; A97-V308 HydrophobicContact CB-CB 4.38Å; A97-T310 HydrophobicContact CB-CG2 4.11Å |
| 98 | T | 85.9 | Confident | 88.1 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 29% | 0.288 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -34.6 | 177.4 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | V90 S96 P107 | V90-T98 HydrophobicContact CG1-CG2 4.18Å; S96-T98 PolarHBondContact O-N 3.37Å; T98-P107 HydrophobicContact CG2-CB 4.15Å; T98-P107 HydrophobicContact CG2-CG 3.74Å; T98-P107 WeakPolarHBondContact O-CG 3.39Å |
| 99 | F | 89.4 | Confident | 88.3 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 4% | 0.044 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -104.3 | -36.7 | 177.5 | -57.4 | -69.7 | 0 | 0 | 0 | 113.2 | Y91 W92 N93 S96 A97 L101 A102 P107 M220 | Y91-F99 WeakPolarHBondContact O-CE2 3.47Å; W92-F99 HydrophobicContact CD2-CE2 4.32Å; W92-F99 AromaticContact CD2-CZ 3.84Å; W92-F99 HydrophobicContact CD2-CZ 3.84Å; W92-F99 HydrophobicContact CE3-CE2 4.37Å; W92-F99 AromaticContact CE3-CZ 3.61Å; W92-F99 HydrophobicContact CE3-CZ 3.61Å; W92-F99 HydrophobicContact CG-CZ 4.49Å; W92-F99 HydrophobicContact CH2-CE1 4.44Å; W92-F99 HydrophobicContact CH2-CZ 4.21Å; W92-F99 HydrophobicContact CZ2-CZ 4.41Å; W92-F99 HydrophobicContact CZ3-CE1 4.35Å; W92-F99 AromaticContact CZ3-CZ 3.81Å; W92-F99 HydrophobicContact CZ3-CZ 3.81Å; N93-F99 WeakPolarHBondContact O-CD2 3.49Å; S96-F99 PolarHBondContact O-N 3.33Å; S96-F99 VanDerWaalsContact OG-CD2 3.26Å; S96-F99 WeakPolarHBondContact OG-CD2 3.35Å; A97-F99 VanDerWaalsContact C-N 3.28Å; A97-F99 PolarHBondContact O-N 3.35Å; F99-L101 VanDerWaalsContact C-N 3.26Å; F99-L101 PolarHBondContact O-N 3.42Å; F99-A102 WeakPolarHBondContact O-CB 3.3Å; F99-A102 PolarHBondContact O-N 3.27Å; F99-P107 HydrophobicContact CD1-CG 4.34Å; F99-P107 HydrophobicContact CE1-CG 4.26Å; F99-M220 HydrophobicContact CD2-CG 4.36Å; F99-M220 HydrophobicContact CE2-CE 4.46Å; F99-M220 HydrophobicContact CG-CG 4.31Å |
| 100 | L | 85 | Confident | 88.4 | Confident | 112 Ų | 112 | 60.7 Ų | 60.7 | 59% | 0.586 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.2 | -37.1 | 179 | -71.9 | -177.8 | 0 | 0 | 0 | 112.7 | A94 S95 S96 | A94-L100 WeakPolarHBondContact O-CD2 3.45Å; S95-L100 WeakPolarHBondContact O-CD1 3.24Å; S96-L100 PolarHBondContact O-N 2.94Å |
| 101 | L | 84.4 | Confident | 88.5 | Confident | 64 Ų | 64 | 60 Ų | 60 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -3.3 | -175.5 | -48.6 | -176.5 | 0 | 0 | 0 | 112.5 | A97 F99 Y306 V308 | A97-L101 HydrophobicContact CB-CD1 3.81Å; A97-L101 HydrophobicContact CB-CG 4.19Å; A97-L101 VanDerWaalsContact O-CB 3.26Å; A97-L101 WeakPolarHBondContact O-CB 3.47Å; A97-L101 WeakPolarHBondContact O-CG 3.44Å; A97-L101 PolarHBondContact O-N 3.11Å; F99-L101 VanDerWaalsContact C-N 3.26Å; F99-L101 PolarHBondContact O-N 3.42Å; L101-Y306 HydrophobicContact CB-CE2 4.16Å; L101-Y306 WeakPolarHBondContact CB-OH 3.45Å; L101-Y306 HydrophobicContact CD1-CD2 4.02Å; L101-Y306 HydrophobicContact CD1-CE2 3.4Å; L101-Y306 HydrophobicContact CD2-CE2 3.4Å; L101-Y306 WeakPolarHBondContact CD2-OH 3.48Å; L101-Y306 HydrophobicContact CG-CE2 3.76Å; L101-V308 HydrophobicContact CD1-CB 4.26Å; L101-V308 HydrophobicContact CD1-CG2 3.74Å; L101-V308 HydrophobicContact CD2-CG2 4.36Å |
| 102 | A | 82.6 | Confident | 88.5 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | trans | -74.6 | 148.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F99 P107 | F99-A102 WeakPolarHBondContact O-CB 3.3Å; F99-A102 PolarHBondContact O-N 3.27Å; A102-P107 HydrophobicContact CB-CB 4.5Å | ||
| 103 | N | 84.5 | Confident | 88.4 | Confident | 106 Ų | 106 | 61.3 Ų | 61.3 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | trans | -68.4 | 176.5 | 167.8 | 67.2 | 28.3 | 0 | 0 | 0 | 110.5 | Y105 G106 | N103-Y105 PolarHBondContact O-N 3.41Å; N103-Y105 VanDerWaalsContact OD1-CA 3.26Å; N103-Y105 WeakPolarHBondContact OD1-CA 3.39Å; N103-Y105 VanDerWaalsContact OD1-CB 3.27Å; N103-Y105 WeakPolarHBondContact OD1-CB 3.38Å; N103-Y105 PolarHBondContact OD1-N 3.32Å; N103-G106 PolarHBondContact O-N 3.06Å; N103-G106 PolarHBondContact OD1-N 2.87Å | ||
| 104 | R | 82.7 | Confident | 88.5 | Confident | 215 Ų | 215 | 60.7 Ų | 60.7 | 81% | 0.811 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -23.3 | 175.9 | 176.5 | 179.1 | -83.3 | -107.9 | 2.1 | 114.3 | K221 | R104-K221 WeakPolarHBondContact O-CE 3.31Å; R104-K221 PolarHBondContact O-NZ 2.89Å |
| 105 | Y | 85.6 | Confident | 88.9 | Confident | 164 Ų | 164 | 60.4 Ų | 60.4 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5.1 | 179.4 | -57.3 | -75 | 0 | 0 | 0 | 113.7 | N103 Y148 | N103-Y105 PolarHBondContact O-N 3.41Å; N103-Y105 VanDerWaalsContact OD1-CA 3.26Å; N103-Y105 WeakPolarHBondContact OD1-CA 3.39Å; N103-Y105 VanDerWaalsContact OD1-CB 3.27Å; N103-Y105 WeakPolarHBondContact OD1-CB 3.38Å; N103-Y105 PolarHBondContact OD1-N 3.32Å; Y105-Y148 PolarHBondContact O-OH 3.15Å |
| 106 | G | 89.8 | Confident | 89.3 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | trans | 74.1 | 166.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N103 | N103-G106 PolarHBondContact O-N 3.06Å; N103-G106 PolarHBondContact OD1-N 2.87Å | ||
| 107 | P | 93.7 | Very high | 89.7 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 20% | 0.201 | 30% | 0.298 | C | S | . | . | trans | -65.3 | 147.2 | 174.2 | 30.6 | -36.3 | 0 | 0 | 0 | 110.7 | T98 F99 A102 K221 M222 V223 | T98-P107 HydrophobicContact CG2-CB 4.15Å; T98-P107 HydrophobicContact CG2-CG 3.74Å; T98-P107 WeakPolarHBondContact O-CG 3.39Å; F99-P107 HydrophobicContact CD1-CG 4.34Å; F99-P107 HydrophobicContact CE1-CG 4.26Å; A102-P107 HydrophobicContact CB-CB 4.5Å; P107-K221 VanDerWaalsContact CD-O 3.28Å; P107-K221 WeakPolarHBondContact CD-O 3.31Å; P107-M222 HydrophobicContact CG-CB 3.91Å; P107-V223 PolarHBondContact O-N 2.59Å | ||
| 108 | T | 94.7 | Very high | 90.1 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128 | 172 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | V223 D225 | T108-V223 CarbonylContact C-O 3.57Å; T108-V223 VanDerWaalsContact CA-O 3.31Å; T108-V223 WeakPolarHBondContact CA-O 3.21Å; T108-V223 HydrophobicContact CG2-CB 4.35Å; T108-V223 HydrophobicContact CG2-CG1 4.4Å; T108-D225 HydrophobicContact CG2-CB 4.07Å |
| 109 | L | 93.8 | Very high | 90.5 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 116 | 176.9 | -179.1 | 69.3 | 0 | 0 | 0 | 109.9 | L87 V111 L117 V223 M224 D225 | L87-L109 HydrophobicContact CD1-CD2 4.27Å; L109-V111 HydrophobicContact CD2-CG1 3.8Å; L109-V111 HydrophobicContact CG-CG1 3.73Å; L109-L117 HydrophobicContact CD2-CD1 3.91Å; L109-L117 HydrophobicContact CD2-CD2 3.49Å; L109-L117 VanDerWaalsContact CD2-CD2 3.49Å; L109-L117 HydrophobicContact CD2-CG 4.27Å; L109-V223 PolarHBondContact N-O 2.93Å; L109-M224 CarbonylContact O-C 3.57Å; L109-M224 WeakPolarHBondContact O-CA 3.26Å; L109-D225 PolarHBondContact O-N 3.22Å |
| 110 | D | 94.5 | Very high | 90.7 | Very high | 98 Ų | 98 | 57.5 Ų | 57.5 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 124.8 | 173 | -67.2 | -40.6 | 0 | 0 | 0 | 110.6 | Q227 | D110-Q227 HydrophobicContact CB-CG 4.39Å; D110-Q227 PolarHBondContact OD1-NE2 2.72Å |
| 111 | V | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.3 | -177.5 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | L87 L109 V176 M224 D225 V226 Q227 | L87-V111 HydrophobicContact CD1-CB 4.18Å; L87-V111 HydrophobicContact CD1-CG1 3.51Å; L109-V111 HydrophobicContact CD2-CG1 3.8Å; L109-V111 HydrophobicContact CG-CG1 3.73Å; V111-V176 HydrophobicContact CB-CG2 4.16Å; V111-V176 HydrophobicContact CG2-CG1 4.05Å; V111-V176 HydrophobicContact CG2-CG2 4.01Å; V111-M224 HydrophobicContact CB-CG 4.35Å; V111-M224 HydrophobicContact CG1-CG 3.85Å; V111-M224 HydrophobicContact CG1-SD 4.41Å; V111-M224 HydrophobicContact CG2-CG 3.47Å; V111-M224 VanDerWaalsContact CG2-CG 3.47Å; V111-M224 HydrophobicContact CG2-SD 3.88Å; V111-D225 PolarHBondContact N-O 2.98Å; V111-V226 HydrophobicContact CG2-CB 4.21Å; V111-V226 HydrophobicContact CG2-CG1 4.42Å; V111-V226 HydrophobicContact CG2-CG2 3.75Å; V111-V226 CarbonylContact O-C 3.58Å; V111-V226 WeakPolarHBondContact O-CA 3.08Å; V111-Q227 PolarHBondContact O-N 3.27Å |
| 112 | Q | 92.9 | Very high | 91.5 | Very high | 71 Ų | 71 | 49.7 Ų | 49.7 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | trans | -114.1 | 159.5 | 171.2 | -61.5 | -174.1 | 9.3 | 0 | 0 | 111.1 | G114 D115 V176 Q227 N232 | Q112-G114 PolarHBondContact O-N 3.13Å; Q112-D115 PolarHBondContact N-OD2 3.15Å; Q112-D115 VanDerWaalsContact O-CB 3.3Å; Q112-D115 WeakPolarHBondContact O-CB 3.45Å; Q112-D115 PolarHBondContact O-N 3.24Å; Q112-D115 VanDerWaalsContact O-N 3.15Å; Q112-V176 WeakPolarHBondContact O-CB 3.38Å; Q112-Q227 HydrophobicContact CG-CB 4.33Å; Q112-N232 PolarHBondContact NE2-ND2 3.06Å; Q112-N232 VanDerWaalsContact NE2-ND2 3.13Å; Q112-N232 PolarHBondContact NE2-OD1 3.21Å; Q112-N232 PolarHBondContact OE1-ND2 3.2Å | ||
| 113 | I | 92.2 | Very high | 91.7 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 129.8 | 171.8 | -60.5 | -57.5 | 0 | 0 | 0 | 108.9 | V176 E178 F188 P190 V226 | I113-V176 HydrophobicContact CD1-CG1 4.02Å; I113-E178 HydrophobicContact CD1-CG 3.89Å; I113-E178 HydrophobicContact CG1-CG 4.21Å; I113-E178 HydrophobicContact CG2-CG 4.23Å; I113-F188 HydrophobicContact CD1-CB 4.41Å; I113-P190 HydrophobicContact CD1-CG 4.26Å; I113-P190 HydrophobicContact CG1-CG 3.82Å; I113-V226 HydrophobicContact CD1-CG1 3.74Å; I113-V226 HydrophobicContact CG1-CG1 4.36Å |
| 114 | G | 90.5 | Very high | 91.7 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.4 | -14.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | C84 Q112 V176 | C84-G114 PolarHBondContact SG-O 2.88Å; Q112-G114 PolarHBondContact O-N 3.13Å; G114-V176 PolarHBondContact N-O 2.75Å |
| 115 | D | 93.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | trans | -66.7 | 152.1 | 178.6 | -70.3 | -2.2 | 0 | 0 | 0 | 111.9 | R85 L87 Q112 V176 | R85-D115 WeakPolarHBondContact CB-OD1 3.31Å; R85-D115 WeakPolarHBondContact O-CA 3.42Å; L87-D115 HydrophobicContact CD1-CB 3.97Å; L87-D115 HydrophobicContact CG-CB 4.21Å; Q112-D115 PolarHBondContact N-OD2 3.15Å; Q112-D115 VanDerWaalsContact O-CB 3.3Å; Q112-D115 WeakPolarHBondContact O-CB 3.45Å; Q112-D115 PolarHBondContact O-N 3.24Å; Q112-D115 VanDerWaalsContact O-N 3.15Å; D115-V176 HydrophobicContact CB-CG2 4.32Å; D115-V176 PolarHBondContact O-N 3.11Å | ||
| 116 | R | 93 | Very high | 90.4 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 24% | 0.242 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138 | 173.3 | -66.6 | -171.8 | 177.3 | 174.3 | -3.4 | 110.3 | C5 R85 Q86 L87 L174 V175 | C5-R116 PolarHBondContact O-NH2 2.74Å; R85-R116 PolarHBondContact O-N 2.88Å; Q86-R116 VanDerWaalsContact OE1-CB 3.24Å; L87-R116 WeakPolarHBondContact CB-O 3.33Å; L87-R116 PolarHBondContact N-O 3.12Å; R116-L174 WeakPolarHBondContact CA-O 3.24Å; R116-V175 HydrophobicContact CG-CG1 4.41Å; R116-V175 HydrophobicContact CG-CG2 4.18Å |
| 117 | L | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.4 | 178.2 | 173.9 | 66.6 | 0 | 0 | 0 | 108.8 | L87 A88 V90 L109 I119 T173 L174 M224 | L87-L117 HydrophobicContact CB-CD1 4.08Å; L87-L117 HydrophobicContact CD1-CB 4.28Å; A88-L117 VanDerWaalsContact O-CD1 3.24Å; A88-L117 WeakPolarHBondContact O-CD1 3.36Å; V90-L117 HydrophobicContact CG2-CD1 3.92Å; L109-L117 HydrophobicContact CD2-CD1 3.91Å; L109-L117 HydrophobicContact CD2-CD2 3.49Å; L109-L117 VanDerWaalsContact CD2-CD2 3.49Å; L109-L117 HydrophobicContact CD2-CG 4.27Å; L117-I119 HydrophobicContact CD2-CG1 4.34Å; L117-T173 CarbonylContact O-C 3.53Å; L117-T173 WeakPolarHBondContact O-CA 3.49Å; L117-L174 HydrophobicContact CB-CB 4.47Å; L117-L174 PolarHBondContact N-O 2.81Å; L117-L174 PolarHBondContact O-N 2.71Å; L117-M224 HydrophobicContact CD2-CE 3.91Å |
| 118 | N | 94.7 | Very high | 87 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134.2 | 164.3 | -53.9 | -52.3 | 0 | 0 | 0 | 109.7 | Q86 D89 V90 L120 P171 T173 | Q86-N118 PolarHBondContact NE2-ND2 3.02Å; Q86-N118 VanDerWaalsContact NE2-ND2 3.19Å; D89-N118 WeakPolarHBondContact CA-O 3.34Å; D89-N118 HydrophobicContact CB-CB 4.45Å; D89-N118 VanDerWaalsContact OD1-CB 3.32Å; D89-N118 WeakPolarHBondContact OD1-CB 3.29Å; D89-N118 PolarHBondContact OD1-ND2 3.33Å; V90-N118 PolarHBondContact N-O 3.16Å; N118-L120 HydrophobicContact CB-CD2 4.21Å; N118-P171 HydrophobicContact CB-CB 4.45Å; N118-T173 WeakPolarHBondContact OD1-CB 3.19Å; N118-T173 WeakPolarHBondContact OD1-CG2 3.31Å; N118-T173 PolarHBondContact OD1-OG1 2.74Å |
| 119 | I | 94.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.1 | 164.7 | -57.3 | 173.1 | 0 | 0 | 0 | 106.6 | V90 W92 L117 I140 V160 L172 L174 M222 | V90-I119 CarbonylContact O-C 3.52Å; V90-I119 WeakPolarHBondContact O-CA 3.42Å; W92-I119 HydrophobicContact CB-CG2 3.65Å; W92-I119 HydrophobicContact CD2-CG2 4.09Å; W92-I119 HydrophobicContact CE3-CG2 3.69Å; W92-I119 HydrophobicContact CG-CG2 4.11Å; L117-I119 HydrophobicContact CD2-CG1 4.34Å; I119-I140 HydrophobicContact CG2-CD1 3.62Å; I119-V160 HydrophobicContact CD1-CG1 4.27Å; I119-L172 HydrophobicContact CB-CB 4.25Å; I119-L172 PolarHBondContact N-O 3.06Å; I119-L172 WeakPolarHBondContact O-CB 3.28Å; I119-L172 PolarHBondContact O-N 3.49Å; I119-L174 HydrophobicContact CD1-CD1 3.7Å; I119-L174 HydrophobicContact CD1-CG 4.49Å; I119-L174 HydrophobicContact CG1-CD1 4.46Å; I119-M222 HydrophobicContact CD1-CE 3.58Å; I119-M222 HydrophobicContact CG1-CE 4.29Å |
| 120 | L | 94 | Very high | 82.8 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.7 | -176.8 | -57.6 | -179.9 | 0 | 0 | 0 | 109.7 | D89 V90 Y91 W92 N118 P171 | D89-L120 HydrophobicContact CB-CD1 3.72Å; D89-L120 HydrophobicContact CB-CG 3.98Å; V90-L120 PolarHBondContact O-N 2.92Å; Y91-L120 HydrophobicContact CD1-CB 4.2Å; Y91-L120 HydrophobicContact CD1-CD1 3.94Å; Y91-L120 HydrophobicContact CD2-CD1 4.48Å; Y91-L120 HydrophobicContact CE1-CB 4.49Å; Y91-L120 HydrophobicContact CE1-CD1 3.48Å; Y91-L120 VanDerWaalsContact CE1-CD1 3.48Å; Y91-L120 HydrophobicContact CE2-CD1 4.06Å; Y91-L120 HydrophobicContact CG-CD1 4.43Å; W92-L120 WeakPolarHBondContact CB-O 3.23Å; W92-L120 PolarHBondContact N-O 3.09Å; N118-L120 HydrophobicContact CB-CD2 4.21Å; L120-P171 HydrophobicContact CD2-CB 3.7Å |
| 121 | C | 94 | Very high | 80.8 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.054 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 150.4 | 171 | -70.9 | 0 | 0 | 0 | 0 | 111.4 | Y123 C163 T170 | C121-Y123 PolarHBondContact O-N 3.42Å; C121-C163 VanDerWaalsContact CA-SG 3.53Å; C121-C163 HydrophobicContact CB-CB 3.61Å; C121-C163 WeakPolarHBondContact CB-SG 3.49Å; C121-C163 WeakPolarHBondContact SG-CA 3.3Å; C121-C163 WeakPolarHBondContact SG-CB 3.42Å; C121-C163 CovalentContact SG-SG 2.03Å; C121-C163 PolarHBondContact SG-SG 2.91Å; C121-T170 WeakPolarHBondContact CB-O 3.27Å; C121-T170 PolarHBondContact N-O 3.02Å |
| 122 | P | 91.5 | Very high | 78.9 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 134 | 169.5 | -28.4 | 38.9 | 0 | 0 | 0 | 111.4 | W92 N93 Y124 D135 L138 | W92-P122 WeakPolarHBondContact O-CD 3.42Å; W92-P122 WeakPolarHBondContact O-CG 3.47Å; N93-P122 HydrophobicContact CB-CG 4.12Å; P122-Y124 HydrophobicContact CB-CE2 3.71Å; P122-D135 WeakPolarHBondContact CG-O 3.28Å; P122-L138 HydrophobicContact CG-CD2 4.01Å |
| 123 | Y | 87.5 | Confident | 77.6 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | trans | -128.4 | 133.4 | -177.6 | 168.5 | -106.1 | 0 | 0 | 0 | 110.3 | C121 S125 P166 E167 T168 V169 | C121-Y123 PolarHBondContact O-N 3.42Å; Y123-S125 WeakPolarHBondContact CE1-OG 3.31Å; Y123-S125 WeakPolarHBondContact OH-CB 3.42Å; Y123-S125 PolarHBondContact OH-OG 2.76Å; Y123-P166 CarbonylContact C-O 3.56Å; Y123-P166 WeakPolarHBondContact CA-O 3.3Å; Y123-E167 VanDerWaalsContact CE2-O 3.31Å; Y123-E167 WeakPolarHBondContact CE2-O 2.91Å; Y123-T168 VanDerWaalsContact CD2-C 3.5Å; Y123-V169 HydrophobicContact CD1-CG2 3.77Å; Y123-V169 HydrophobicContact CD2-CG2 3.77Å; Y123-V169 HydrophobicContact CE1-CG2 4.15Å; Y123-V169 HydrophobicContact CE2-CG2 4.13Å; Y123-V169 HydrophobicContact CG-CG2 3.56Å | ||
| 124 | Y | 83.5 | Confident | 76.3 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | trans | -134.2 | 111.8 | -180 | -52.7 | -90.9 | 0 | 0 | 0 | 108.7 | P122 T126 D135 A136 P166 | P122-Y124 HydrophobicContact CB-CE2 3.71Å; Y124-T126 VanDerWaalsContact C-N 3.3Å; Y124-T126 PolarHBondContact O-N 3.14Å; Y124-D135 PolarHBondContact OH-OD1 2.8Å; Y124-A136 HydrophobicContact CD2-CB 4.46Å; Y124-A136 HydrophobicContact CE2-CB 3.97Å; Y124-P166 HydrophobicContact CD2-CB 3.83Å; Y124-P166 HydrophobicContact CE2-CB 4.36Å; Y124-P166 PolarHBondContact N-O 3.02Å | ||
| 125 | S | 73.4 | Confident | 75.3 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 32% | 0.315 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -68.5 | -24.5 | -174.1 | -59.7 | 0 | 0 | 0 | 0 | 114.1 | Y123 Q317 | Y123-S125 WeakPolarHBondContact CE1-OG 3.31Å; Y123-S125 WeakPolarHBondContact OH-CB 3.42Å; Y123-S125 PolarHBondContact OH-OG 2.76Å; S125-Q317 PolarHBondContact OG-NE2 3.29Å; S125-Q317 PolarHBondContact OG-OE1 3.05Å |
| 126 | T | 69.2 | Low | 74.8 | Confident | 84 Ų | 84 | 56.5 Ų | 56.5 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -134.1 | 142 | -176.1 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | Y124 T128 | Y124-T126 VanDerWaalsContact C-N 3.3Å; Y124-T126 PolarHBondContact O-N 3.14Å; T126-T128 WeakPolarHBondContact CB-OG1 3.45Å; T126-T128 PolarHBondContact O-N 3.01Å; T126-T128 PolarHBondContact OG1-OG1 2.79Å |
| 127 | P | 57.3 | Low | 74.7 | Confident | 100 Ų | 100 | 55.2 Ų | 55.2 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | trans | -76.3 | 58.7 | 163.7 | 32.8 | -32.8 | 0 | 0 | 0 | 111.4 | ||||
| 128 | T | 54.2 | Low | 74.8 | Confident | 97 Ų | 97 | 55.2 Ų | 55.2 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | trans | -87.8 | 120.2 | 170.7 | -40 | 0 | 0 | 0 | 0 | 108.7 | T126 A130 | T126-T128 WeakPolarHBondContact CB-OG1 3.45Å; T126-T128 PolarHBondContact O-N 3.01Å; T126-T128 PolarHBondContact OG1-OG1 2.79Å; T128-A130 PolarHBondContact O-N 2.89Å | ||
| 129 | A | 50 | Low | 74.9 | Confident | 104 Ų | 104 | 54.6 Ų | 54.6 | 86% | 0.86 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 28.1 | -153.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 130 | A | 50.3 | Low | 75 | Confident | 92 Ų | 92 | 54.6 Ų | 54.6 | 76% | 0.76 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -25.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.1 | T128 | T128-A130 PolarHBondContact O-N 2.89Š|
| 131 | T | 51.6 | Low | 75.2 | Confident | 116 Ų | 116 | 55.5 Ų | 55.5 | 71% | 0.712 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -115.1 | 127.8 | 178.6 | 34.6 | 0 | 0 | 0 | 0 | 110.9 | R133 | T131-R133 PolarHBondContact O-N 2.85Å; T131-R133 VanDerWaalsContact O-N 3.15Å |
| 132 | P | 54.8 | Low | 75.3 | Confident | 95 Ų | 95 | 57.3 Ų | 57.3 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | trans | -56.4 | 126.4 | 172.9 | 22.6 | -30 | 0 | 0 | 0 | 107.9 | L134 | P132-L134 HydrophobicContact CB-CD2 4.06Å; P132-L134 HydrophobicContact CB-CG 4.03Å; P132-L134 HydrophobicContact CG-CD1 4.21Å; P132-L134 HydrophobicContact CG-CD2 4.29Å; P132-L134 HydrophobicContact CG-CG 4.07Å; P132-L134 WeakPolarHBondContact O-CG 3.28Å; P132-L134 PolarHBondContact O-N 3.35Å | ||
| 133 | R | 66.6 | Low | 75.6 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | trans | -75.4 | 69 | 179.8 | -59.9 | -178.1 | -177 | 178.6 | -1.9 | 109.4 | T131 D135 A136 | T131-R133 PolarHBondContact O-N 2.85Å; T131-R133 VanDerWaalsContact O-N 3.15Å; R133-D135 PolarHBondContact O-N 3.04Å; R133-A136 HydrophobicContact CB-CB 3.65Å; R133-A136 HydrophobicContact CG-CB 4.47Å; R133-A136 PolarHBondContact O-N 2.83Å | ||
| 134 | L | 64 | Low | 76.1 | Confident | 113 Ų | 113 | 55.4 Ų | 55.4 | 59% | 0.592 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -3 | -167.3 | -69 | 167.2 | 0 | 0 | 0 | 114.2 | P132 G202 | P132-L134 HydrophobicContact CB-CD2 4.06Å; P132-L134 HydrophobicContact CB-CG 4.03Å; P132-L134 HydrophobicContact CG-CD1 4.21Å; P132-L134 HydrophobicContact CG-CD2 4.29Å; P132-L134 HydrophobicContact CG-CG 4.07Å; P132-L134 WeakPolarHBondContact O-CG 3.28Å; P132-L134 PolarHBondContact O-N 3.35Å; L134-G202 WeakPolarHBondContact O-CA 3.5Å |
| 135 | D | 70.4 | Confident | 76.8 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -148.2 | 20.5 | -179.8 | 60.7 | -33.8 | 0 | 0 | 0 | 113.7 | N93 A94 P122 Y124 R133 Y137 L214 | N93-D135 VanDerWaalsContact CA-OD2 3.31Å; N93-D135 WeakPolarHBondContact CA-OD2 3.44Å; N93-D135 PolarHBondContact OD1-OD2 2.93Å; A94-D135 PolarHBondContact N-OD2 2.99Å; P122-D135 WeakPolarHBondContact CG-O 3.28Å; Y124-D135 PolarHBondContact OH-OD1 2.8Å; R133-D135 PolarHBondContact O-N 3.04Å; D135-Y137 VanDerWaalsContact C-N 3.33Å; D135-Y137 PolarHBondContact O-N 2.89Å; D135-L214 HydrophobicContact CB-CD1 3.95Å; D135-L214 HydrophobicContact CB-CD2 4.38Å |
| 136 | A | 81.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -68.3 | -29.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y124 R133 P166 | Y124-A136 HydrophobicContact CD2-CB 4.46Å; Y124-A136 HydrophobicContact CE2-CB 3.97Å; R133-A136 HydrophobicContact CB-CB 3.65Å; R133-A136 HydrophobicContact CG-CB 4.47Å; R133-A136 PolarHBondContact O-N 2.83Å; A136-P166 HydrophobicContact CB-CB 3.85Å; A136-P166 HydrophobicContact CB-CG 4.12Å |
| 137 | Y | 92.1 | Very high | 79.3 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -121 | 116 | -177.5 | -59.7 | -82.1 | 0 | 0 | 0 | 110.3 | D135 C163 A164 P166 G202 S203 R204 | D135-Y137 VanDerWaalsContact C-N 3.33Å; D135-Y137 PolarHBondContact O-N 2.89Å; Y137-C163 WeakPolarHBondContact CA-O 3.37Å; Y137-A164 WeakPolarHBondContact CE1-O 3.12Å; Y137-P166 HydrophobicContact CE1-CG 4.13Å; Y137-G202 PolarHBondContact N-O 3.26Å; Y137-G202 VanDerWaalsContact N-O 3.12Å; Y137-G202 CarbonylContact O-C 3.58Å; Y137-G202 VanDerWaalsContact O-CA 3.29Å; Y137-G202 WeakPolarHBondContact O-CA 3.48Å; Y137-S203 WeakPolarHBondContact CB-O 3.38Å; Y137-R204 HydrophobicContact CD1-CB 4.46Å; Y137-R204 HydrophobicContact CD2-CB 4.11Å; Y137-R204 HydrophobicContact CE2-CB 4.3Å; Y137-R204 HydrophobicContact CG-CB 4.18Å; Y137-R204 PolarHBondContact OH-NH2 3.14Å |
| 138 | L | 95.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.3 | -177.7 | 61.4 | 83.2 | 0 | 0 | 0 | 114.6 | P122 I140 C163 T198 S200 L214 M220 | P122-L138 HydrophobicContact CG-CD2 4.01Å; L138-I140 HydrophobicContact CD1-CD1 3.99Å; L138-I140 HydrophobicContact CD1-CG1 3.53Å; L138-C163 HydrophobicContact CD1-CB 3.82Å; L138-C163 WeakPolarHBondContact CD1-SG 3.31Å; L138-C163 HydrophobicContact CG-CB 3.88Å; L138-C163 PolarHBondContact N-O 2.8Å; L138-C163 PolarHBondContact O-N 2.03Å; L138-T198 HydrophobicContact CB-CG2 3.67Å; L138-T198 HydrophobicContact CD2-CG2 4.45Å; L138-T198 HydrophobicContact CG-CG2 4.45Å; L138-S200 WeakPolarHBondContact CA-OG 3.36Å; L138-L214 HydrophobicContact CD2-CD1 4.37Å; L138-M220 HydrophobicContact CD2-CE 4.14Å |
| 139 | E | 96.6 | Very high | 83.2 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.1 | 170.4 | -67.9 | 174.1 | -175.9 | 0 | 0 | 109.5 | Y141 V162 T198 S200 M207 S208 | E139-Y141 HydrophobicContact CB-CD2 4.18Å; E139-Y141 HydrophobicContact CB-CE2 3.46Å; E139-Y141 VanDerWaalsContact CB-CE2 3.46Å; E139-Y141 HydrophobicContact CG-CE2 4.47Å; E139-Y141 WeakPolarHBondContact OE2-CE2 3.4Å; E139-Y141 VanDerWaalsContact OE2-CZ 3.3Å; E139-Y141 PolarHBondContact OE2-OH 2.91Å; E139-V162 HydrophobicContact CG-CG1 4.2Å; E139-V162 HydrophobicContact CG-CG2 4.26Å; E139-T198 WeakPolarHBondContact O-CA 3.36Å; E139-T198 WeakPolarHBondContact O-CB 3.32Å; E139-T198 WeakPolarHBondContact O-CG2 3.43Å; E139-T198 PolarHBondContact O-OG1 2.84Å; E139-S200 PolarHBondContact N-OG 2.8Å; E139-M207 HydrophobicContact CG-CG 4Å; E139-S208 PolarHBondContact OE1-OG 2.62Å |
| 140 | I | 97 | Very high | 85.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.9 | 179.1 | -51.4 | 176.2 | 0 | 0 | 0 | 107.9 | W92 I119 L138 V160 G161 L172 | W92-I140 HydrophobicContact CB-CD1 4.01Å; W92-I140 HydrophobicContact CD2-CD1 3.7Å; W92-I140 HydrophobicContact CD2-CG1 4.21Å; W92-I140 HydrophobicContact CD2-CG2 4.46Å; W92-I140 HydrophobicContact CE3-CD1 4.28Å; W92-I140 HydrophobicContact CG-CD1 3.52Å; W92-I140 HydrophobicContact CG-CG1 4.17Å; W92-I140 HydrophobicContact CH2-CG2 4.11Å; W92-I140 HydrophobicContact CZ2-CG2 3.93Å; W92-I140 HydrophobicContact CZ3-CG2 4.43Å; I119-I140 HydrophobicContact CG2-CD1 3.62Å; L138-I140 HydrophobicContact CD1-CD1 3.99Å; L138-I140 HydrophobicContact CD1-CG1 3.53Å; I140-V160 HydrophobicContact CB-CB 4.2Å; I140-V160 HydrophobicContact CG2-CB 4.14Å; I140-V160 HydrophobicContact CG2-CG1 4.4Å; I140-V160 HydrophobicContact CG2-CG2 4.37Å; I140-V160 VanDerWaalsContact O-CB 3.28Å; I140-V160 WeakPolarHBondContact O-CB 3.28Å; I140-V160 PolarHBondContact O-N 2.95Å; I140-G161 PolarHBondContact N-O 3.18Å; I140-L172 HydrophobicContact CD1-CD1 3.7Å |
| 141 | Y | 97.9 | Very high | 87.7 | Confident | 37 Ų | 37 | 48 Ų | 48 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.3 | -177.7 | -72.5 | -90.3 | 0 | 0 | 0 | 111.4 | E139 L153 K158 I159 F196 I197 | E139-Y141 HydrophobicContact CB-CD2 4.18Å; E139-Y141 HydrophobicContact CB-CE2 3.46Å; E139-Y141 VanDerWaalsContact CB-CE2 3.46Å; E139-Y141 HydrophobicContact CG-CE2 4.47Å; E139-Y141 WeakPolarHBondContact OE2-CE2 3.4Å; E139-Y141 VanDerWaalsContact OE2-CZ 3.3Å; E139-Y141 PolarHBondContact OE2-OH 2.91Å; Y141-L153 HydrophobicContact CD1-CD1 4.35Å; Y141-L153 HydrophobicContact CD1-CD2 4.12Å; Y141-L153 HydrophobicContact CD2-CD1 4.03Å; Y141-L153 HydrophobicContact CD2-CD2 3.7Å; Y141-L153 HydrophobicContact CE1-CD1 4.1Å; Y141-L153 HydrophobicContact CE2-CD1 3.75Å; Y141-L153 HydrophobicContact CE2-CD2 4.3Å; Y141-L153 HydrophobicContact CG-CD1 4.32Å; Y141-L153 HydrophobicContact CG-CD2 3.6Å; Y141-K158 CarbonylContact C-O 3.59Å; Y141-K158 WeakPolarHBondContact CA-O 3.24Å; Y141-I159 HydrophobicContact CD1-CB 4.17Å; Y141-I159 HydrophobicContact CE1-CB 3.82Å; Y141-I159 HydrophobicContact CE1-CD1 4.48Å; Y141-I159 HydrophobicContact CE1-CG1 4.09Å; Y141-F196 CarbonylContact O-C 3.59Å; Y141-F196 WeakPolarHBondContact O-CA 3.43Å; Y141-I197 PolarHBondContact N-O 2.8Å; Y141-I197 PolarHBondContact O-N 2.76Å |
| 142 | R | 97.5 | Very high | 89.9 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 17% | 0.174 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.2 | 159.9 | -177.9 | -110.2 | 74.8 | 114.1 | -10.8 | 108.4 | P144 G156 S157 K158 V160 L186 Y195 F196 | R142-P144 VanDerWaalsContact NH2-CD 3.33Å; R142-P144 VanDerWaalsContact NH2-N 3.14Å; R142-G156 PolarHBondContact NH2-O 2.91Å; R142-S157 CarbonylContact O-C 3.59Å; R142-S157 WeakPolarHBondContact O-CA 3.36Å; R142-K158 PolarHBondContact N-O 3.05Å; R142-K158 PolarHBondContact O-N 2.79Å; R142-V160 HydrophobicContact CB-CG2 4.07Å; R142-L186 HydrophobicContact CB-CD1 4.46Å; R142-L186 HydrophobicContact CB-CD2 3.88Å; R142-L186 HydrophobicContact CG-CD2 4.34Å; R142-Y195 CarbonylContact C-O 3.55Å; R142-Y195 VanDerWaalsContact CA-O 3.31Å; R142-Y195 WeakPolarHBondContact CA-O 3.33Å; R142-F196 HydrophobicContact CB-CD1 4.24Å; R142-F196 HydrophobicContact CB-CE1 4.05Å; R142-F196 HydrophobicContact CG-CE1 4.4Å; R142-F196 HydrophobicContact CG-CZ 4.41Å |
| 143 | V | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 159.2 | -173.7 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | L153 S157 Y195 I197 | V143-L153 HydrophobicContact CG1-CD2 4.02Å; V143-S157 WeakPolarHBondContact CG1-OG 3.44Å; V143-Y195 PolarHBondContact N-O 2.78Å; V143-I197 HydrophobicContact CB-CD1 4.44Å; V143-I197 HydrophobicContact CG1-CD1 3.74Å; V143-I197 HydrophobicContact CG1-CG1 3.69Å; V143-I197 HydrophobicContact CG2-CD1 4.07Å; V143-I197 HydrophobicContact CG2-CG1 4.09Å; V143-I197 HydrophobicContact CG2-CG2 3.92Å |
| 144 | P | 97.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 23% | 0.234 | 20% | 0.198 | C | C | . | . | trans | -62.1 | 161 | 163.5 | -17.5 | 31.1 | 0 | 0 | 0 | 111.1 | R142 D146 G147 Y148 S154 E155 | R142-P144 VanDerWaalsContact NH2-CD 3.33Å; R142-P144 VanDerWaalsContact NH2-N 3.14Å; P144-D146 PolarHBondContact O-N 3.25Å; P144-G147 PolarHBondContact O-N 3.12Å; P144-G147 VanDerWaalsContact O-N 3.12Å; P144-Y148 PolarHBondContact O-N 2.89Å; P144-Y148 VanDerWaalsContact O-N 3.11Å; P144-S154 WeakPolarHBondContact CD-OG 3.04Å; P144-E155 WeakPolarHBondContact CG-O 3.47Å | ||
| 145 | K | 97.3 | Very high | 94.8 | Very high | 115 Ų | 115 | 44.8 Ų | 44.8 | 50% | 0.5 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -54 | -40 | 178.7 | -174.1 | 180 | 170 | -173.6 | 0 | 112.8 | G147 Y148 E149 Y195 | K145-G147 PolarHBondContact O-N 3.22Å; K145-Y148 VanDerWaalsContact O-CB 3.3Å; K145-Y148 WeakPolarHBondContact O-CB 3.21Å; K145-Y148 PolarHBondContact O-N 3.19Å; K145-E149 WeakPolarHBondContact CE-OE1 3.31Å; K145-E149 IonicContact NZ-OE1 3.78Å; K145-E149 PolarHBondContact O-N 3.2Å; K145-E149 VanDerWaalsContact O-N 3.09Å; K145-Y195 HydrophobicContact CB-CD2 4.08Å; K145-Y195 HydrophobicContact CB-CE2 3.61Å; K145-Y195 HydrophobicContact CG-CE1 4.39Å; K145-Y195 HydrophobicContact CG-CE2 3.98Å |
| 146 | D | 97.1 | Very high | 95.9 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 178.7 | -172.1 | 71.9 | 0 | 0 | 0 | 112.4 | P144 Y148 E149 K150 | P144-D146 PolarHBondContact O-N 3.25Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 3.12Å; D146-E149 PolarHBondContact O-N 3.48Å; D146-K150 WeakPolarHBondContact O-CB 3.46Å; D146-K150 PolarHBondContact O-N 2.84Å; D146-K150 VanDerWaalsContact O-N 3.11Å; D146-K150 WeakPolarHBondContact OD1-CE 3.47Å; D146-K150 IonicContact OD1-NZ 2.74Å; D146-K150 PolarHBondContact OD1-NZ 3.11Å; D146-K150 IonicContact OD2-NZ 2.71Å; D146-K150 PolarHBondContact OD2-NZ 2.9Å |
| 147 | G | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -32.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P144 K145 C151 M152 | P144-G147 PolarHBondContact O-N 3.12Å; P144-G147 VanDerWaalsContact O-N 3.12Å; K145-G147 PolarHBondContact O-N 3.22Å; G147-C151 CarbonylContact O-C 3.53Å; G147-C151 VanDerWaalsContact O-CA 3.28Å; G147-C151 WeakPolarHBondContact O-CA 3.45Å; G147-C151 PolarHBondContact O-N 2.82Å; G147-M152 CarbonylContact C-O 3.6Å; G147-M152 WeakPolarHBondContact CA-O 3.5Å; G147-M152 PolarHBondContact O-N 2.9Å |
| 148 | Y | 97.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 174.8 | -176.9 | -100.6 | 0 | 0 | 0 | 112.9 | Y105 P144 K145 D146 Y195 I197 K221 M222 V223 | Y105-Y148 PolarHBondContact O-OH 3.15Å; P144-Y148 PolarHBondContact O-N 2.89Å; P144-Y148 VanDerWaalsContact O-N 3.11Å; K145-Y148 VanDerWaalsContact O-CB 3.3Å; K145-Y148 WeakPolarHBondContact O-CB 3.21Å; K145-Y148 PolarHBondContact O-N 3.19Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 3.12Å; Y148-Y195 AromaticContact CD1-CD1 3.74Å; Y148-Y195 HydrophobicContact CD1-CD1 3.74Å; Y148-Y195 HydrophobicContact CD1-CE1 4.3Å; Y148-Y195 AromaticContact CD2-CD1 3.9Å; Y148-Y195 HydrophobicContact CD2-CD1 3.9Å; Y148-Y195 HydrophobicContact CD2-CG 4.16Å; Y148-Y195 HydrophobicContact CE1-CD1 4.13Å; Y148-Y195 HydrophobicContact CE2-CD1 4.21Å; Y148-Y195 AromaticContact CG-CD1 3.61Å; Y148-Y195 HydrophobicContact CG-CD1 3.61Å; Y148-Y195 AromaticContact CG-CG 3.98Å; Y148-Y195 HydrophobicContact CG-CG 3.98Å; Y148-I197 HydrophobicContact CD2-CG2 3.59Å; Y148-I197 HydrophobicContact CE2-CG2 4.24Å; Y148-I197 HydrophobicContact CG-CG2 4.46Å; Y148-K221 HydrophobicContact CD2-CB 4.16Å; Y148-K221 HydrophobicContact CD2-CD 4.36Å; Y148-K221 HydrophobicContact CE1-CD 4.12Å; Y148-K221 HydrophobicContact CE2-CB 3.53Å; Y148-K221 HydrophobicContact CE2-CD 3.84Å; Y148-K221 HydrophobicContact CE2-CG 3.79Å; Y148-M222 WeakPolarHBondContact CE2-O 3.32Å; Y148-V223 HydrophobicContact CE1-CG2 4.12Å; Y148-V223 HydrophobicContact CE2-CG2 4.35Å; Y148-V223 WeakPolarHBondContact OH-CG2 3.43Å |
| 149 | E | 96.5 | Very high | 96.8 | Very high | 116 Ų | 116 | 53.7 Ų | 53.7 | 54% | 0.542 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | -177.6 | -70.7 | 176 | 174.8 | 0 | 0 | 111.7 | K145 D146 | K145-E149 WeakPolarHBondContact CE-OE1 3.31Å; K145-E149 IonicContact NZ-OE1 3.78Å; K145-E149 PolarHBondContact O-N 3.2Å; K145-E149 VanDerWaalsContact O-N 3.09Å; D146-E149 PolarHBondContact O-N 3.48Å |
| 150 | K | 97.1 | Very high | 96.7 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -88.2 | -8.6 | -178.6 | -66.6 | 172.5 | -174.6 | 164.7 | 0 | 114.1 | D146 M152 R216 | D146-K150 WeakPolarHBondContact O-CB 3.46Å; D146-K150 PolarHBondContact O-N 2.84Å; D146-K150 VanDerWaalsContact O-N 3.11Å; D146-K150 WeakPolarHBondContact OD1-CE 3.47Å; D146-K150 IonicContact OD1-NZ 2.74Å; D146-K150 PolarHBondContact OD1-NZ 3.11Å; D146-K150 IonicContact OD2-NZ 2.71Å; D146-K150 PolarHBondContact OD2-NZ 2.9Å; K150-M152 HydrophobicContact CB-CE 4.18Å; K150-M152 HydrophobicContact CB-CG 3.73Å; K150-M152 HydrophobicContact CB-SD 3.95Å; K150-M152 HydrophobicContact CD-SD 3.87Å; K150-R216 PolarHBondContact O-NH2 2.94Å; K150-R216 VanDerWaalsContact O-NH2 3.16Å |
| 151 | C | 97.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 58.3 | -168.6 | -73.4 | 0 | 0 | 0 | 0 | 112 | G147 N211 G212 C215 R216 | G147-C151 CarbonylContact O-C 3.53Å; G147-C151 VanDerWaalsContact O-CA 3.28Å; G147-C151 WeakPolarHBondContact O-CA 3.45Å; G147-C151 PolarHBondContact O-N 2.82Å; C151-N211 PolarHBondContact O-OD1 3.45Å; C151-G212 PolarHBondContact O-N 2.52Å; C151-C215 WeakPolarHBondContact CA-SG 3.48Å; C151-C215 HydrophobicContact CB-CB 3.63Å; C151-C215 WeakPolarHBondContact CB-SG 3.41Å; C151-C215 WeakPolarHBondContact SG-CB 3.4Å; C151-C215 PolarHBondContact SG-O 2.94Å; C151-C215 CovalentContact SG-SG 2.05Å; C151-C215 PolarHBondContact SG-SG 2.97Å; C151-R216 HydrophobicContact CB-CB 4.31Å |
| 152 | M | 98.1 | Very high | 96.5 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -144.9 | 148.6 | 177.5 | 60.3 | 177.2 | 42 | 0 | 0 | 111.9 | G147 K150 A210 N211 | G147-M152 CarbonylContact C-O 3.6Å; G147-M152 WeakPolarHBondContact CA-O 3.5Å; G147-M152 PolarHBondContact O-N 2.9Å; K150-M152 HydrophobicContact CB-CE 4.18Å; K150-M152 HydrophobicContact CB-CG 3.73Å; K150-M152 HydrophobicContact CB-SD 3.95Å; K150-M152 HydrophobicContact CD-SD 3.87Å; M152-A210 WeakPolarHBondContact CA-O 3.33Å; M152-N211 HydrophobicContact CB-CB 4.5Å |
| 153 | L | 97.9 | Very high | 96.4 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | trans | -75.7 | 126.5 | 171 | -53.2 | -174.4 | 0 | 0 | 0 | 108.6 | Y141 V143 I197 T199 A210 | Y141-L153 HydrophobicContact CD1-CD1 4.35Å; Y141-L153 HydrophobicContact CD1-CD2 4.12Å; Y141-L153 HydrophobicContact CD2-CD1 4.03Å; Y141-L153 HydrophobicContact CD2-CD2 3.7Å; Y141-L153 HydrophobicContact CE1-CD1 4.1Å; Y141-L153 HydrophobicContact CE2-CD1 3.75Å; Y141-L153 HydrophobicContact CE2-CD2 4.3Å; Y141-L153 HydrophobicContact CG-CD1 4.32Å; Y141-L153 HydrophobicContact CG-CD2 3.6Å; V143-L153 HydrophobicContact CG1-CD2 4.02Å; L153-I197 HydrophobicContact CD2-CD1 4.18Å; L153-I197 HydrophobicContact CD2-CG1 4.42Å; L153-T199 HydrophobicContact CD2-CG2 4.24Å; L153-T199 HydrophobicContact CG-CG2 4.35Å; L153-A210 HydrophobicContact CB-CB 4.29Å; L153-A210 HydrophobicContact CD1-CB 4.09Å; L153-A210 HydrophobicContact CG-CB 4.28Å; L153-A210 PolarHBondContact N-O 3.04Å | ||
| 154 | S | 94.6 | Very high | 96.1 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 26% | 0.259 | 30% | 0.3 | S | S | . | . | trans | -124.3 | 175.6 | -179.5 | 48.1 | 0 | 0 | 0 | 0 | 110.1 | P144 G156 S157 | P144-S154 WeakPolarHBondContact CD-OG 3.04Å; S154-G156 PolarHBondContact O-N 2.85Å; S154-S157 PolarHBondContact N-OG 2.83Å; S154-S157 VanDerWaalsContact N-OG 3.15Å; S154-S157 VanDerWaalsContact O-CB 3.31Å; S154-S157 WeakPolarHBondContact O-CB 3Å; S154-S157 PolarHBondContact O-N 2.81Å; S154-S157 PolarHBondContact O-OG 2.82Å; S154-S157 VanDerWaalsContact O-OG 3.05Å | ||
| 155 | E | 94.8 | Very high | 95.8 | Very high | 194 Ų | 194 | 57.2 Ų | 57.2 | 91% | 0.907 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 129.8 | 174.9 | -168 | -178.5 | 172.5 | 0 | 0 | 110.7 | P144 | P144-E155 WeakPolarHBondContact CG-O 3.47Š|
| 156 | G | 93.2 | Very high | 95.3 | Very high | 46 Ų | 46 | 52 Ų | 52 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 4.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | R142 S154 | R142-G156 PolarHBondContact NH2-O 2.91Å; S154-G156 PolarHBondContact O-N 2.85Å |
| 157 | S | 96.5 | Very high | 94.7 | Very high | 31 Ų | 31 | 54.6 Ų | 54.6 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | trans | -59.8 | 135.1 | 162.4 | -71.5 | 0 | 0 | 0 | 0 | 110.7 | R142 V143 S154 | R142-S157 CarbonylContact O-C 3.59Å; R142-S157 WeakPolarHBondContact O-CA 3.36Å; V143-S157 WeakPolarHBondContact CG1-OG 3.44Å; S154-S157 PolarHBondContact N-OG 2.83Å; S154-S157 VanDerWaalsContact N-OG 3.15Å; S154-S157 VanDerWaalsContact O-CB 3.31Å; S154-S157 WeakPolarHBondContact O-CB 3Å; S154-S157 PolarHBondContact O-N 2.81Å; S154-S157 PolarHBondContact O-OG 2.82Å; S154-S157 VanDerWaalsContact O-OG 3.05Å | ||
| 158 | K | 95.9 | Very high | 94.2 | Very high | 78 Ų | 78 | 57.9 Ų | 57.9 | 34% | 0.339 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.8 | 176.6 | -68.7 | -170.9 | 175 | -167.5 | 0 | 109.6 | Y141 R142 G185 L186 | Y141-K158 CarbonylContact C-O 3.59Å; Y141-K158 WeakPolarHBondContact CA-O 3.24Å; R142-K158 PolarHBondContact N-O 3.05Å; R142-K158 PolarHBondContact O-N 2.79Å; K158-G185 PolarHBondContact NZ-O 2.86Å; K158-G185 VanDerWaalsContact NZ-O 3.09Å; K158-L186 HydrophobicContact CB-CD2 3.79Å; K158-L186 HydrophobicContact CD-CD2 4Å |
| 159 | I | 96 | Very high | 93.8 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 42% | 0.415 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 134.1 | 176.1 | -164 | 166.8 | 0 | 0 | 0 | 110.1 | Y141 V162 | Y141-I159 HydrophobicContact CD1-CB 4.17Å; Y141-I159 HydrophobicContact CE1-CB 3.82Å; Y141-I159 HydrophobicContact CE1-CD1 4.48Å; Y141-I159 HydrophobicContact CE1-CG1 4.09Å; I159-V162 HydrophobicContact CD1-CG2 3.68Å |
| 160 | V | 95.7 | Very high | 93.5 | Very high | 28 Ų | 28 | 57.8 Ų | 57.8 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -45.7 | 178.6 | 173.7 | 0 | 0 | 0 | 0 | 109.3 | I119 I140 R142 L174 L186 F196 | I119-V160 HydrophobicContact CD1-CG1 4.27Å; I140-V160 HydrophobicContact CB-CB 4.2Å; I140-V160 HydrophobicContact CG2-CB 4.14Å; I140-V160 HydrophobicContact CG2-CG1 4.4Å; I140-V160 HydrophobicContact CG2-CG2 4.37Å; I140-V160 VanDerWaalsContact O-CB 3.28Å; I140-V160 WeakPolarHBondContact O-CB 3.28Å; I140-V160 PolarHBondContact O-N 2.95Å; R142-V160 HydrophobicContact CB-CG2 4.07Å; V160-L174 HydrophobicContact CG1-CD1 4.06Å; V160-L174 HydrophobicContact CG1-CD2 3.96Å; V160-L174 HydrophobicContact CG1-CG 4.26Å; V160-L186 HydrophobicContact CG2-CD1 3.95Å; V160-F196 HydrophobicContact CG2-CD1 3.76Å; V160-F196 HydrophobicContact CG2-CE1 3.76Å |
| 161 | G | 94.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 12% | 0.124 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | 173.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I140 | I140-G161 PolarHBondContact N-O 3.18Å |
| 162 | V | 95.5 | Very high | 93.2 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.9 | -174 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | E139 I159 A164 M207 | E139-V162 HydrophobicContact CG-CG1 4.2Å; E139-V162 HydrophobicContact CG-CG2 4.26Å; I159-V162 HydrophobicContact CD1-CG2 3.68Å; V162-A164 HydrophobicContact CG1-CB 4.13Å; V162-M207 HydrophobicContact CG1-CE 4.12Å; V162-M207 HydrophobicContact CG1-SD 4.03Å |
| 163 | C | 94.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 87.4 | 173.4 | -58.1 | 0 | 0 | 0 | 0 | 108 | C121 Y137 L138 | C121-C163 VanDerWaalsContact CA-SG 3.53Å; C121-C163 HydrophobicContact CB-CB 3.61Å; C121-C163 WeakPolarHBondContact CB-SG 3.49Å; C121-C163 WeakPolarHBondContact SG-CA 3.3Å; C121-C163 WeakPolarHBondContact SG-CB 3.42Å; C121-C163 CovalentContact SG-SG 2.03Å; C121-C163 PolarHBondContact SG-SG 2.91Å; Y137-C163 WeakPolarHBondContact CA-O 3.37Å; L138-C163 HydrophobicContact CD1-CB 3.82Å; L138-C163 WeakPolarHBondContact CD1-SG 3.31Å; L138-C163 HydrophobicContact CG-CB 3.88Å; L138-C163 PolarHBondContact N-O 2.8Å; L138-C163 PolarHBondContact O-N 2.03Å |
| 164 | A | 92.3 | Very high | 92.7 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 31% | 0.314 | 33% | 0.333 | S | S | . | . | trans | -104.9 | -11 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y137 V162 P166 | Y137-A164 WeakPolarHBondContact CE1-O 3.12Å; V162-A164 HydrophobicContact CG1-CB 4.13Å; A164-P166 WeakPolarHBondContact O-CD 3.48Å | ||
| 165 | T | 90.2 | Very high | 92.6 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | trans | -125.8 | 76.6 | -172 | 48.5 | 0 | 0 | 0 | 0 | 110.6 | E167 T168 T170 | T165-E167 PolarHBondContact O-N 3.39Å; T165-T168 VanDerWaalsContact CB-OG1 3.3Å; T165-T168 WeakPolarHBondContact CB-OG1 3.1Å; T165-T168 PolarHBondContact O-N 3.46Å; T165-T168 VanDerWaalsContact O-N 3.09Å; T165-T168 VanDerWaalsContact O-O 3.12Å; T165-T168 PolarHBondContact O-OG1 3.07Å; T165-T168 PolarHBondContact OG1-OG1 2.81Å; T165-T170 PolarHBondContact OG1-OG1 2.84Å | ||
| 166 | P | 88.1 | Confident | 92.5 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -14.6 | -178.2 | 24.7 | -34.7 | 0 | 0 | 0 | 113.9 | Y123 Y124 A136 Y137 A164 T168 | Y123-P166 CarbonylContact C-O 3.56Å; Y123-P166 WeakPolarHBondContact CA-O 3.3Å; Y124-P166 HydrophobicContact CD2-CB 3.83Å; Y124-P166 HydrophobicContact CE2-CB 4.36Å; Y124-P166 PolarHBondContact N-O 3.02Å; A136-P166 HydrophobicContact CB-CB 3.85Å; A136-P166 HydrophobicContact CB-CG 4.12Å; Y137-P166 HydrophobicContact CE1-CG 4.13Å; A164-P166 WeakPolarHBondContact O-CD 3.48Å; P166-T168 VanDerWaalsContact C-N 3.26Å; P166-T168 PolarHBondContact O-N 3.4Å |
| 167 | E | 85.2 | Confident | 92.5 | Very high | 129 Ų | 129 | 51.3 Ų | 51.3 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 1.4 | 178.8 | -62.4 | 170.7 | -170.7 | 0 | 0 | 112.8 | Y123 T165 | Y123-E167 VanDerWaalsContact CE2-O 3.31Å; Y123-E167 WeakPolarHBondContact CE2-O 2.91Å; T165-E167 PolarHBondContact O-N 3.39Å |
| 168 | T | 87.1 | Confident | 92.3 | Very high | 68 Ų | 68 | 53 Ų | 53 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -137.9 | 131.9 | -178.1 | 57 | 0 | 0 | 0 | 0 | 110.7 | Y123 T165 P166 T170 | Y123-T168 VanDerWaalsContact CD2-C 3.5Å; T165-T168 VanDerWaalsContact CB-OG1 3.3Å; T165-T168 WeakPolarHBondContact CB-OG1 3.1Å; T165-T168 PolarHBondContact O-N 3.46Å; T165-T168 VanDerWaalsContact O-N 3.09Å; T165-T168 VanDerWaalsContact O-O 3.12Å; T165-T168 PolarHBondContact O-OG1 3.07Å; T165-T168 PolarHBondContact OG1-OG1 2.81Å; P166-T168 VanDerWaalsContact C-N 3.26Å; P166-T168 PolarHBondContact O-N 3.4Å; T168-T170 PolarHBondContact O-N 3.07Å; T168-T170 PolarHBondContact O-OG1 3.01Å; T168-T170 VanDerWaalsContact O-OG1 3.07Å; T168-T170 PolarHBondContact OG1-OG1 3.09Å |
| 169 | V | 87.7 | Confident | 92.1 | Very high | 90 Ų | 90 | 56.3 Ų | 56.3 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | trans | -63.7 | 109.9 | 172.9 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | Y123 P171 | Y123-V169 HydrophobicContact CD1-CG2 3.77Å; Y123-V169 HydrophobicContact CD2-CG2 3.77Å; Y123-V169 HydrophobicContact CE1-CG2 4.15Å; Y123-V169 HydrophobicContact CE2-CG2 4.13Å; Y123-V169 HydrophobicContact CG-CG2 3.56Å; V169-P171 WeakPolarHBondContact O-CD 3.44Å | ||
| 170 | T | 91 | Very high | 91.8 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | trans | -114.2 | 102.9 | -175.5 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | C121 T165 T168 | C121-T170 WeakPolarHBondContact CB-O 3.27Å; C121-T170 PolarHBondContact N-O 3.02Å; T165-T170 PolarHBondContact OG1-OG1 2.84Å; T168-T170 PolarHBondContact O-N 3.07Å; T168-T170 PolarHBondContact O-OG1 3.01Å; T168-T170 VanDerWaalsContact O-OG1 3.07Å; T168-T170 PolarHBondContact OG1-OG1 3.09Å | ||
| 171 | P | 93.4 | Very high | 91.6 | Very high | 70 Ų | 70 | 57.1 Ų | 57.1 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.6 | 175.1 | 31.2 | -32.7 | 0 | 0 | 0 | 111.7 | N118 L120 V169 | N118-P171 HydrophobicContact CB-CB 4.45Å; L120-P171 HydrophobicContact CD2-CB 3.7Å; V169-P171 WeakPolarHBondContact O-CD 3.44Å |
| 172 | L | 94 | Very high | 91.2 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 97.4 | 169.5 | -55.5 | 175.7 | 0 | 0 | 0 | 108.7 | I119 I140 | I119-L172 HydrophobicContact CB-CB 4.25Å; I119-L172 PolarHBondContact N-O 3.06Å; I119-L172 WeakPolarHBondContact O-CB 3.28Å; I119-L172 PolarHBondContact O-N 3.49Å; I140-L172 HydrophobicContact CD1-CD1 3.7Å |
| 173 | T | 93.6 | Very high | 90.7 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.3 | -177.3 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | L117 N118 | L117-T173 CarbonylContact O-C 3.53Å; L117-T173 WeakPolarHBondContact O-CA 3.49Å; N118-T173 WeakPolarHBondContact OD1-CB 3.19Å; N118-T173 WeakPolarHBondContact OD1-CG2 3.31Å; N118-T173 PolarHBondContact OD1-OG1 2.74Å |
| 174 | L | 92.7 | Very high | 90.2 | Very high | 17 Ų | 17 | 67.2 Ų | 67.2 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.7 | 171.3 | -69.3 | -178.2 | 0 | 0 | 0 | 110.6 | R116 L117 I119 V160 L186 F196 M224 | R116-L174 WeakPolarHBondContact CA-O 3.24Å; L117-L174 HydrophobicContact CB-CB 4.47Å; L117-L174 PolarHBondContact N-O 2.81Å; L117-L174 PolarHBondContact O-N 2.71Å; I119-L174 HydrophobicContact CD1-CD1 3.7Å; I119-L174 HydrophobicContact CD1-CG 4.49Å; I119-L174 HydrophobicContact CG1-CD1 4.46Å; V160-L174 HydrophobicContact CG1-CD1 4.06Å; V160-L174 HydrophobicContact CG1-CD2 3.96Å; V160-L174 HydrophobicContact CG1-CG 4.26Å; L174-L186 HydrophobicContact CD2-CD1 3.73Å; L174-F196 HydrophobicContact CD1-CE1 3.84Å; L174-F196 HydrophobicContact CD1-CZ 4.17Å; L174-M224 HydrophobicContact CD1-CE 4.43Å |
| 175 | V | 92.4 | Very high | 89.9 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 35% | 0.352 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.9 | 171.1 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | R116 R177 | R116-V175 HydrophobicContact CG-CG1 4.41Å; R116-V175 HydrophobicContact CG-CG2 4.18Å; V175-R177 PolarHBondContact O-N 3.41Å |
| 176 | V | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -75.5 | 99.5 | -179.2 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | V111 Q112 I113 G114 D115 F188 M224 V226 | V111-V176 HydrophobicContact CB-CG2 4.16Å; V111-V176 HydrophobicContact CG2-CG1 4.05Å; V111-V176 HydrophobicContact CG2-CG2 4.01Å; Q112-V176 WeakPolarHBondContact O-CB 3.38Å; I113-V176 HydrophobicContact CD1-CG1 4.02Å; G114-V176 PolarHBondContact N-O 2.75Å; D115-V176 HydrophobicContact CB-CG2 4.32Å; D115-V176 PolarHBondContact O-N 3.11Å; V176-F188 HydrophobicContact CG1-CB 3.82Å; V176-F188 HydrophobicContact CG1-CD2 4.18Å; V176-F188 HydrophobicContact CG1-CG 3.99Å; V176-M224 HydrophobicContact CG2-SD 4.22Å; V176-V226 HydrophobicContact CG1-CG1 4.29Å; V176-V226 HydrophobicContact CG1-CG2 4.41Å | ||
| 177 | R | 92.6 | Very high | 90.4 | Very high | 101 Ų | 101 | 67 Ų | 67 | 38% | 0.381 | 38% | 0.38 | S | S | . | . | trans | -135 | 149.6 | -176.8 | 64.3 | -176 | 175.6 | 164.2 | -9.1 | 112.1 | V175 F179 T180 F188 | V175-R177 PolarHBondContact O-N 3.41Å; R177-F179 VanDerWaalsContact CD-O 3.27Å; R177-F179 WeakPolarHBondContact CD-O 3.14Å; R177-F179 WeakPolarHBondContact CG-O 3.47Å; R177-T180 VanDerWaalsContact CZ-CB 3.44Å; R177-T180 VanDerWaalsContact NH2-CB 3.35Å; R177-T180 PolarHBondContact NH2-OG1 3.09Å; R177-F188 PolarHBondContact O-N 3.36Å | ||
| 178 | E | 92.5 | Very high | 90.8 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -74.8 | -25.3 | -179.3 | -71.7 | -156 | -128.1 | 0 | 0 | 115.2 | I113 F188 K189 | I113-E178 HydrophobicContact CD1-CG 3.89Å; I113-E178 HydrophobicContact CG1-CG 4.21Å; I113-E178 HydrophobicContact CG2-CG 4.23Å; E178-F188 VanDerWaalsContact CA-O 3.23Å; E178-F188 WeakPolarHBondContact CA-O 3.17Å; E178-F188 WeakPolarHBondContact CG-O 3.5Å; E178-K189 PolarHBondContact O-NZ 2.82Å; E178-K189 IonicContact OE2-NZ 3.02Å; E178-K189 PolarHBondContact OE2-NZ 3.25Å |
| 179 | F | 91.5 | Very high | 91.2 | Very high | 148 Ų | 148 | 60.3 Ų | 60.3 | 65% | 0.649 | 34% | 0.343 | S | S | * | . | trans | -141.1 | 138.1 | -175.9 | -59.3 | -73 | 0 | 0 | 0 | 109.7 | R177 | R177-F179 VanDerWaalsContact CD-O 3.27Å; R177-F179 WeakPolarHBondContact CD-O 3.14Å; R177-F179 WeakPolarHBondContact CG-O 3.47Å | ||
| 180 | T | 89.9 | Confident | 91.5 | Very high | 22 Ų | 22 | 58 Ų | 58 | 14% | 0.135 | 33% | 0.33 | C | S | . | . | trans | -123.8 | 134.5 | 175.1 | 167.9 | 0 | 0 | 0 | 0 | 111 | R177 N182 E187 | R177-T180 VanDerWaalsContact CZ-CB 3.44Å; R177-T180 VanDerWaalsContact NH2-CB 3.35Å; R177-T180 PolarHBondContact NH2-OG1 3.09Å; T180-N182 VanDerWaalsContact CG2-O 3.3Å; T180-N182 WeakPolarHBondContact CG2-O 3.31Å; T180-N182 WeakPolarHBondContact OG1-CA 3.41Å; T180-N182 WeakPolarHBondContact OG1-CB 3.47Å; T180-N182 PolarHBondContact OG1-N 3.2Å; T180-N182 PolarHBondContact OG1-O 2.84Å; T180-E187 HydrophobicContact CG2-CG 3.31Å; T180-E187 PolarHBondContact N-OE1 2.61Å | ||
| 181 | A | 90.7 | Very high | 91.7 | Very high | 105 Ų | 105 | 58.3 Ų | 58.3 | 87% | 0.868 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -73.8 | -17.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 182 | N | 88 | Confident | 91.9 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -82.5 | 119.5 | 172.7 | 176.9 | 6.3 | 0 | 0 | 0 | 108.9 | T180 S184 G185 | T180-N182 VanDerWaalsContact CG2-O 3.3Å; T180-N182 WeakPolarHBondContact CG2-O 3.31Å; T180-N182 WeakPolarHBondContact OG1-CA 3.41Å; T180-N182 WeakPolarHBondContact OG1-CB 3.47Å; T180-N182 PolarHBondContact OG1-N 3.2Å; T180-N182 PolarHBondContact OG1-O 2.84Å; N182-S184 VanDerWaalsContact C-N 3.26Å; N182-S184 PolarHBondContact O-N 2.94Å; N182-S184 PolarHBondContact OD1-N 2.76Å; N182-G185 WeakPolarHBondContact O-CA 3.42Å; N182-G185 PolarHBondContact O-N 3.47Å |
| 183 | P | 83.7 | Confident | 92 | Very high | 116 Ų | 116 | 67.9 Ų | 67.9 | 75% | 0.753 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -32 | 178.5 | 24.6 | -33.8 | 0 | 0 | 0 | 113 | G185 | P183-G185 PolarHBondContact O-N 2.97Š|
| 184 | S | 83.7 | Confident | 92.2 | Very high | 83 Ų | 83 | 65 Ų | 65 | 58% | 0.58 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -4.6 | 172.7 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | N182 | N182-S184 VanDerWaalsContact C-N 3.26Å; N182-S184 PolarHBondContact O-N 2.94Å; N182-S184 PolarHBondContact OD1-N 2.76Å |
| 185 | G | 87.3 | Confident | 92.4 | Very high | 7 Ų | 7 | 66 Ų | 66 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -67.7 | 158.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K158 N182 P183 | K158-G185 PolarHBondContact NZ-O 2.86Å; K158-G185 VanDerWaalsContact NZ-O 3.09Å; N182-G185 WeakPolarHBondContact O-CA 3.42Å; N182-G185 PolarHBondContact O-N 3.47Å; P183-G185 PolarHBondContact O-N 2.97Å |
| 186 | L | 93.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 63.2 Ų | 63.2 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | trans | -88.1 | 139.9 | 175.2 | -55.9 | 177 | 0 | 0 | 0 | 110.1 | R142 K158 V160 L174 F188 F196 | R142-L186 HydrophobicContact CB-CD1 4.46Å; R142-L186 HydrophobicContact CB-CD2 3.88Å; R142-L186 HydrophobicContact CG-CD2 4.34Å; K158-L186 HydrophobicContact CB-CD2 3.79Å; K158-L186 HydrophobicContact CD-CD2 4Å; V160-L186 HydrophobicContact CG2-CD1 3.95Å; L174-L186 HydrophobicContact CD2-CD1 3.73Å; L186-F188 HydrophobicContact CB-CE2 3.66Å; L186-F188 HydrophobicContact CB-CZ 3.71Å; L186-F188 HydrophobicContact CD1-CZ 4.08Å; L186-F196 HydrophobicContact CD1-CE1 4.23Å | ||
| 187 | E | 94 | Very high | 92.9 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | trans | -123.6 | 133.4 | 177.7 | -63.1 | -172.8 | 150.3 | 0 | 0 | 109.6 | T180 Y194 | T180-E187 HydrophobicContact CG2-CG 3.31Å; T180-E187 PolarHBondContact N-OE1 2.61Å; E187-Y194 VanDerWaalsContact O-CE1 3.29Å; E187-Y194 WeakPolarHBondContact O-CE1 3.36Å; E187-Y194 PolarHBondContact O-OH 3.2Å | ||
| 188 | F | 94.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | trans | -122.3 | 133.6 | -174.1 | -59.4 | -81.2 | 0 | 0 | 0 | 110.3 | I113 V176 R177 E178 L186 Y194 F196 M224 V226 | I113-F188 HydrophobicContact CD1-CB 4.41Å; V176-F188 HydrophobicContact CG1-CB 3.82Å; V176-F188 HydrophobicContact CG1-CD2 4.18Å; V176-F188 HydrophobicContact CG1-CG 3.99Å; R177-F188 PolarHBondContact O-N 3.36Å; E178-F188 VanDerWaalsContact CA-O 3.23Å; E178-F188 WeakPolarHBondContact CA-O 3.17Å; E178-F188 WeakPolarHBondContact CG-O 3.5Å; L186-F188 HydrophobicContact CB-CE2 3.66Å; L186-F188 HydrophobicContact CB-CZ 3.71Å; L186-F188 HydrophobicContact CD1-CZ 4.08Å; F188-Y194 WeakPolarHBondContact CA-OH 3.46Å; F188-Y194 HydrophobicContact CB-CE2 4.23Å; F188-Y194 AromaticContact CD1-CD1 3.88Å; F188-Y194 HydrophobicContact CD1-CD1 3.88Å; F188-Y194 AromaticContact CD1-CD2 3.63Å; F188-Y194 HydrophobicContact CD1-CD2 3.63Å; F188-Y194 HydrophobicContact CD1-CE1 4.04Å; F188-Y194 AromaticContact CD1-CE2 3.81Å; F188-Y194 HydrophobicContact CD1-CE2 3.81Å; F188-Y194 AromaticContact CD1-CG 3.68Å; F188-Y194 HydrophobicContact CD1-CG 3.68Å; F188-Y194 HydrophobicContact CE1-CD1 4.06Å; F188-Y194 HydrophobicContact CE1-CD2 4.29Å; F188-Y194 AromaticContact CE1-CG 3.9Å; F188-Y194 HydrophobicContact CE1-CG 3.9Å; F188-F196 HydrophobicContact CE1-CZ 4.14Å; F188-F196 HydrophobicContact CZ-CZ 4.26Å; F188-M224 HydrophobicContact CD1-SD 4.04Å; F188-M224 HydrophobicContact CE1-SD 3.66Å; F188-M224 HydrophobicContact CZ-SD 4.2Å; F188-V226 HydrophobicContact CB-CG2 4.22Å; F188-V226 HydrophobicContact CD1-CG2 4.29Å | ||
| 189 | K | 95.2 | Very high | 93.4 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 24% | 0.239 | 30% | 0.299 | C | S | . | . | trans | -112.5 | 139.1 | 176.3 | -64.3 | -67.3 | 169.1 | -170.5 | 0 | 109.8 | E178 R192 Y194 | E178-K189 PolarHBondContact O-NZ 2.82Å; E178-K189 IonicContact OE2-NZ 3.02Å; E178-K189 PolarHBondContact OE2-NZ 3.25Å; K189-R192 HydrophobicContact CB-CG 4.17Å; K189-R192 WeakPolarHBondContact O-CB 3.38Å; K189-R192 PolarHBondContact O-N 3.23Å; K189-Y194 PolarHBondContact N-OH 3.4Å | ||
| 190 | P | 94.6 | Very high | 93.6 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 142.8 | 173 | -23.3 | 32.2 | 0 | 0 | 0 | 111.9 | I113 R192 N228 | I113-P190 HydrophobicContact CD1-CG 4.26Å; I113-P190 HydrophobicContact CG1-CG 3.82Å; P190-R192 VanDerWaalsContact C-N 3.29Å; P190-R192 PolarHBondContact O-N 2.86Å; P190-N228 WeakPolarHBondContact CB-OD1 3.42Å |
| 191 | G | 94.8 | Very high | 93.8 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 17.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V226 N228 | G191-V226 VanDerWaalsContact CA-O 3.27Å; G191-V226 WeakPolarHBondContact CA-O 3.31Å; G191-V226 PolarHBondContact N-O 2.5Å; G191-N228 VanDerWaalsContact CA-OD1 3.24Å; G191-N228 WeakPolarHBondContact CA-OD1 3.24Å; G191-N228 PolarHBondContact N-OD1 2.9Å |
| 192 | R | 96.1 | Very high | 93.8 | Very high | 154 Ų | 154 | 45.6 Ų | 45.6 | 58% | 0.581 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.9 | 179.6 | -61.1 | -162.3 | -177.6 | -176.2 | -6.3 | 111.9 | K189 P190 Y194 V226 | K189-R192 HydrophobicContact CB-CG 4.17Å; K189-R192 WeakPolarHBondContact O-CB 3.38Å; K189-R192 PolarHBondContact O-N 3.23Å; P190-R192 VanDerWaalsContact C-N 3.29Å; P190-R192 PolarHBondContact O-N 2.86Å; R192-Y194 HydrophobicContact CB-CD2 4.48Å; R192-Y194 HydrophobicContact CB-CE2 3.69Å; R192-V226 WeakPolarHBondContact O-CB 3.41Å; R192-V226 PolarHBondContact O-N 2.95Å |
| 193 | R | 97 | Very high | 94 | Very high | 140 Ų | 140 | 43.6 Ų | 43.6 | 53% | 0.528 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 138.1 | 172.7 | -68.1 | -178.2 | 176.2 | -175 | -3.5 | 111.3 | Y195 V223 M224 D225 | R193-Y195 HydrophobicContact CB-CE2 4.44Å; R193-V223 HydrophobicContact CB-CG1 4.12Å; R193-V223 HydrophobicContact CG-CG1 4.25Å; R193-M224 CarbonylContact C-O 3.53Å; R193-M224 WeakPolarHBondContact CA-O 3.28Å; R193-D225 HydrophobicContact CG-CB 4.23Å; R193-D225 IonicContact CZ-OD2 3.29Å; R193-D225 VanDerWaalsContact CZ-OD2 3.29Å; R193-D225 IonicContact NE-OD1 3.9Å; R193-D225 IonicContact NE-OD2 2.82Å; R193-D225 PolarHBondContact NE-OD2 3.48Å; R193-D225 IonicContact NH2-OD2 2.9Å; R193-D225 PolarHBondContact NH2-OD2 3.36Å |
| 194 | Y | 97.7 | Very high | 94.3 | Very high | 22 Ų | 22 | 45 Ų | 45 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 143.9 | 177.9 | -66.8 | -95.7 | 0 | 0 | 0 | 109.5 | E187 F188 K189 R192 V223 M224 V226 | E187-Y194 VanDerWaalsContact O-CE1 3.29Å; E187-Y194 WeakPolarHBondContact O-CE1 3.36Å; E187-Y194 PolarHBondContact O-OH 3.2Å; F188-Y194 WeakPolarHBondContact CA-OH 3.46Å; F188-Y194 HydrophobicContact CB-CE2 4.23Å; F188-Y194 AromaticContact CD1-CD1 3.88Å; F188-Y194 HydrophobicContact CD1-CD1 3.88Å; F188-Y194 AromaticContact CD1-CD2 3.63Å; F188-Y194 HydrophobicContact CD1-CD2 3.63Å; F188-Y194 HydrophobicContact CD1-CE1 4.04Å; F188-Y194 AromaticContact CD1-CE2 3.81Å; F188-Y194 HydrophobicContact CD1-CE2 3.81Å; F188-Y194 AromaticContact CD1-CG 3.68Å; F188-Y194 HydrophobicContact CD1-CG 3.68Å; F188-Y194 HydrophobicContact CE1-CD1 4.06Å; F188-Y194 HydrophobicContact CE1-CD2 4.29Å; F188-Y194 AromaticContact CE1-CG 3.9Å; F188-Y194 HydrophobicContact CE1-CG 3.9Å; K189-Y194 PolarHBondContact N-OH 3.4Å; R192-Y194 HydrophobicContact CB-CD2 4.48Å; R192-Y194 HydrophobicContact CB-CE2 3.69Å; Y194-V223 CarbonylContact O-C 3.45Å; Y194-V223 WeakPolarHBondContact O-CA 3.26Å; Y194-M224 PolarHBondContact N-O 2.63Å; Y194-M224 PolarHBondContact O-N 3.07Å; Y194-V226 HydrophobicContact CD2-CG2 3.71Å; Y194-V226 HydrophobicContact CE2-CG2 3.8Å |
| 195 | Y | 98.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.8 | -167.6 | -56.2 | -82.2 | 0 | 0 | 0 | 110.1 | R142 V143 K145 Y148 R193 V223 | R142-Y195 CarbonylContact C-O 3.55Å; R142-Y195 VanDerWaalsContact CA-O 3.31Å; R142-Y195 WeakPolarHBondContact CA-O 3.33Å; V143-Y195 PolarHBondContact N-O 2.78Å; K145-Y195 HydrophobicContact CB-CD2 4.08Å; K145-Y195 HydrophobicContact CB-CE2 3.61Å; K145-Y195 HydrophobicContact CG-CE1 4.39Å; K145-Y195 HydrophobicContact CG-CE2 3.98Å; Y148-Y195 AromaticContact CD1-CD1 3.74Å; Y148-Y195 HydrophobicContact CD1-CD1 3.74Å; Y148-Y195 HydrophobicContact CD1-CE1 4.3Å; Y148-Y195 AromaticContact CD2-CD1 3.9Å; Y148-Y195 HydrophobicContact CD2-CD1 3.9Å; Y148-Y195 HydrophobicContact CD2-CG 4.16Å; Y148-Y195 HydrophobicContact CE1-CD1 4.13Å; Y148-Y195 HydrophobicContact CE2-CD1 4.21Å; Y148-Y195 AromaticContact CG-CD1 3.61Å; Y148-Y195 HydrophobicContact CG-CD1 3.61Å; Y148-Y195 AromaticContact CG-CG 3.98Å; Y148-Y195 HydrophobicContact CG-CG 3.98Å; R193-Y195 HydrophobicContact CB-CE2 4.44Å; Y195-V223 HydrophobicContact CD1-CG1 4.4Å; Y195-V223 HydrophobicContact CD1-CG2 4.02Å; Y195-V223 HydrophobicContact CE1-CG1 4.19Å; Y195-V223 HydrophobicContact CE1-CG2 4.15Å |
| 196 | F | 98 | Very high | 95 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.8 | -177.2 | -62.4 | -102.3 | 0 | 0 | 0 | 109.9 | W92 Y141 R142 V160 L174 L186 F188 K221 M222 M224 | W92-F196 HydrophobicContact CH2-CB 3.89Å; W92-F196 HydrophobicContact CZ3-CB 4.43Å; Y141-F196 CarbonylContact O-C 3.59Å; Y141-F196 WeakPolarHBondContact O-CA 3.43Å; R142-F196 HydrophobicContact CB-CD1 4.24Å; R142-F196 HydrophobicContact CB-CE1 4.05Å; R142-F196 HydrophobicContact CG-CE1 4.4Å; R142-F196 HydrophobicContact CG-CZ 4.41Å; V160-F196 HydrophobicContact CG2-CD1 3.76Å; V160-F196 HydrophobicContact CG2-CE1 3.76Å; L174-F196 HydrophobicContact CD1-CE1 3.84Å; L174-F196 HydrophobicContact CD1-CZ 4.17Å; L186-F196 HydrophobicContact CD1-CE1 4.23Å; F188-F196 HydrophobicContact CE1-CZ 4.14Å; F188-F196 HydrophobicContact CZ-CZ 4.26Å; F196-K221 CarbonylContact O-C 3.55Å; F196-K221 WeakPolarHBondContact O-CA 3.49Å; F196-K221 WeakPolarHBondContact O-CB 3.34Å; F196-M222 HydrophobicContact CB-CE 3.82Å; F196-M222 HydrophobicContact CB-CG 3.68Å; F196-M222 HydrophobicContact CD1-CE 3.9Å; F196-M222 HydrophobicContact CD2-CE 3.68Å; F196-M222 HydrophobicContact CD2-CG 4.12Å; F196-M222 HydrophobicContact CE1-CE 4.38Å; F196-M222 HydrophobicContact CE2-CE 4.19Å; F196-M222 HydrophobicContact CG-CE 3.53Å; F196-M222 HydrophobicContact CG-CG 4.18Å; F196-M222 PolarHBondContact N-O 2.93Å; F196-M222 PolarHBondContact O-N 2.82Å; F196-M224 HydrophobicContact CD2-CB 4.41Å; F196-M224 HydrophobicContact CE2-CB 3.77Å; F196-M224 HydrophobicContact CE2-CE 3.91Å; F196-M224 HydrophobicContact CE2-SD 4.24Å; F196-M224 HydrophobicContact CZ-CE 3.9Å; F196-M224 HydrophobicContact CZ-SD 4.37Å |
| 197 | I | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 162 | -179.8 | 70.5 | 176.3 | 0 | 0 | 0 | 111.4 | Y141 V143 Y148 L153 T199 C215 K221 | Y141-I197 PolarHBondContact N-O 2.8Å; Y141-I197 PolarHBondContact O-N 2.76Å; V143-I197 HydrophobicContact CB-CD1 4.44Å; V143-I197 HydrophobicContact CG1-CD1 3.74Å; V143-I197 HydrophobicContact CG1-CG1 3.69Å; V143-I197 HydrophobicContact CG2-CD1 4.07Å; V143-I197 HydrophobicContact CG2-CG1 4.09Å; V143-I197 HydrophobicContact CG2-CG2 3.92Å; Y148-I197 HydrophobicContact CD2-CG2 3.59Å; Y148-I197 HydrophobicContact CE2-CG2 4.24Å; Y148-I197 HydrophobicContact CG-CG2 4.46Å; L153-I197 HydrophobicContact CD2-CD1 4.18Å; L153-I197 HydrophobicContact CD2-CG1 4.42Å; I197-T199 HydrophobicContact CD1-CG2 3.7Å; I197-T199 HydrophobicContact CG1-CG2 4.32Å; I197-C215 HydrophobicContact CB-CB 4.29Å; I197-K221 HydrophobicContact CB-CB 4.4Å; I197-K221 HydrophobicContact CG2-CB 3.79Å |
| 198 | T | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -122.5 | 119 | 162.9 | -75.2 | 0 | 0 | 0 | 0 | 110 | W92 L138 E139 L214 C215 M220 | W92-T198 PolarHBondContact NE1-OG1 3.04Å; L138-T198 HydrophobicContact CB-CG2 3.67Å; L138-T198 HydrophobicContact CD2-CG2 4.45Å; L138-T198 HydrophobicContact CG-CG2 4.45Å; E139-T198 WeakPolarHBondContact O-CA 3.36Å; E139-T198 WeakPolarHBondContact O-CB 3.32Å; E139-T198 WeakPolarHBondContact O-CG2 3.43Å; E139-T198 PolarHBondContact O-OG1 2.84Å; T198-L214 HydrophobicContact CG2-CB 4.16Å; T198-L214 HydrophobicContact CG2-CD1 4.01Å; T198-C215 WeakPolarHBondContact O-CA 3.29Å; T198-C215 WeakPolarHBondContact O-CB 3.37Å; T198-C215 PolarHBondContact O-N 3.39Å; T198-M220 PolarHBondContact N-O 3.12Å | ||
| 199 | T | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -97.3 | 0.8 | 176.6 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | L153 I197 N209 G213 | L153-T199 HydrophobicContact CD2-CG2 4.24Å; L153-T199 HydrophobicContact CG-CG2 4.35Å; I197-T199 HydrophobicContact CD1-CG2 3.7Å; I197-T199 HydrophobicContact CG1-CG2 4.32Å; T199-N209 CarbonylContact C-O 3.53Å; T199-N209 WeakPolarHBondContact CB-O 3.33Å; T199-N209 VanDerWaalsContact O-CB 3.24Å; T199-N209 WeakPolarHBondContact O-CB 3.27Å; T199-N209 PolarHBondContact OG1-O 3.09Å; T199-G213 WeakPolarHBondContact O-CA 3.27Å | ||
| 200 | S | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -63.4 | 152.5 | 170.9 | -43.3 | 0 | 0 | 0 | 0 | 111.2 | L138 E139 G206 M207 G213 L214 | L138-S200 WeakPolarHBondContact CA-OG 3.36Å; E139-S200 PolarHBondContact N-OG 2.8Å; S200-G206 VanDerWaalsContact CA-O 3.31Å; S200-G206 WeakPolarHBondContact CA-O 3.12Å; S200-M207 WeakPolarHBondContact CB-O 3Å; S200-M207 PolarHBondContact OG-O 2.79Å; S200-G213 CarbonylContact O-C 3.42Å; S200-G213 WeakPolarHBondContact O-CA 3.26Å; S200-L214 WeakPolarHBondContact O-CB 3.24Å; S200-L214 VanDerWaalsContact O-CG 3.24Å; S200-L214 WeakPolarHBondContact O-CG 3.38Å; S200-L214 PolarHBondContact O-N 3.25Å | ||
| 201 | D | 93.6 | Very high | 95.5 | Very high | 71 Ų | 71 | 54 Ų | 54 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | trans | -96 | 3.7 | 173.8 | 63.2 | 15.5 | 0 | 0 | 0 | 113.7 | S203 G206 N209 | D201-S203 VanDerWaalsContact C-N 3.31Å; D201-S203 VanDerWaalsContact OD1-CB 3.32Å; D201-S203 WeakPolarHBondContact OD1-CB 3.17Å; D201-S203 PolarHBondContact OD1-N 2.87Å; D201-S203 PolarHBondContact OD1-OG 3.09Å; D201-G206 PolarHBondContact N-O 3.41Å; D201-G206 VanDerWaalsContact OD1-CA 3.31Å; D201-G206 WeakPolarHBondContact OD1-CA 3.06Å; D201-G206 WeakPolarHBondContact OD2-CA 3.48Å; D201-N209 PolarHBondContact OD2-ND2 3.37Å | ||
| 202 | G | 91.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | 88.5 | -12.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L134 Y137 | L134-G202 WeakPolarHBondContact O-CA 3.5Å; Y137-G202 PolarHBondContact N-O 3.26Å; Y137-G202 VanDerWaalsContact N-O 3.12Å; Y137-G202 CarbonylContact O-C 3.58Å; Y137-G202 VanDerWaalsContact O-CA 3.29Å; Y137-G202 WeakPolarHBondContact O-CA 3.48Å |
| 203 | S | 91.4 | Very high | 95.5 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -82.1 | 160.8 | 171.7 | 75.6 | 0 | 0 | 0 | 0 | 111.4 | Y137 D201 E205 G206 M207 | Y137-S203 WeakPolarHBondContact CB-O 3.38Å; D201-S203 VanDerWaalsContact C-N 3.31Å; D201-S203 VanDerWaalsContact OD1-CB 3.32Å; D201-S203 WeakPolarHBondContact OD1-CB 3.17Å; D201-S203 PolarHBondContact OD1-N 2.87Å; D201-S203 PolarHBondContact OD1-OG 3.09Å; S203-E205 VanDerWaalsContact C-N 3.28Å; S203-E205 PolarHBondContact O-N 2.84Å; S203-G206 PolarHBondContact OG-N 2.94Å; S203-M207 PolarHBondContact O-N 2.99Å |
| 204 | R | 90.8 | Very high | 95.3 | Very high | 144 Ų | 144 | 39.3 Ų | 39.3 | 54% | 0.543 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -66.6 | -35.9 | 176.5 | -178.9 | 177.7 | -71.9 | -99.5 | 1.9 | 110.9 | Y137 M207 | Y137-R204 HydrophobicContact CD1-CB 4.46Å; Y137-R204 HydrophobicContact CD2-CB 4.11Å; Y137-R204 HydrophobicContact CE2-CB 4.3Å; Y137-R204 HydrophobicContact CG-CB 4.18Å; Y137-R204 PolarHBondContact OH-NH2 3.14Å; R204-M207 WeakPolarHBondContact O-CB 3.34Å |
| 205 | E | 92.2 | Very high | 95.3 | Very high | 159 Ų | 159 | 38.3 Ų | 38.3 | 74% | 0.743 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -39.4 | -177.5 | -63.9 | 67.3 | -146.2 | 0 | 0 | 111.7 | S203 M207 | S203-E205 VanDerWaalsContact C-N 3.28Å; S203-E205 PolarHBondContact O-N 2.84Å; E205-M207 VanDerWaalsContact C-N 3.34Å |
| 206 | G | 93.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 12.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S200 D201 S203 S208 N209 | S200-G206 VanDerWaalsContact CA-O 3.31Å; S200-G206 WeakPolarHBondContact CA-O 3.12Å; D201-G206 PolarHBondContact N-O 3.41Å; D201-G206 VanDerWaalsContact OD1-CA 3.31Å; D201-G206 WeakPolarHBondContact OD1-CA 3.06Å; D201-G206 WeakPolarHBondContact OD2-CA 3.48Å; S203-G206 PolarHBondContact OG-N 2.94Å; G206-S208 VanDerWaalsContact C-N 3.31Å; G206-S208 PolarHBondContact O-N 3.36Å; G206-N209 WeakPolarHBondContact CA-ND2 3.46Å; G206-N209 VanDerWaalsContact O-CB 3.31Å; G206-N209 WeakPolarHBondContact O-CB 3.41Å; G206-N209 PolarHBondContact O-N 2.87Å; G206-N209 PolarHBondContact O-ND2 3.31Å |
| 207 | M | 93.5 | Very high | 94.9 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 17% | 0.167 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -40.6 | -178.4 | -172.6 | 176.2 | 73.3 | 0 | 0 | 112.2 | E139 V162 S200 S203 R204 E205 | E139-M207 HydrophobicContact CG-CG 4Å; V162-M207 HydrophobicContact CG1-CE 4.12Å; V162-M207 HydrophobicContact CG1-SD 4.03Å; S200-M207 WeakPolarHBondContact CB-O 3Å; S200-M207 PolarHBondContact OG-O 2.79Å; S203-M207 PolarHBondContact O-N 2.99Å; R204-M207 WeakPolarHBondContact O-CB 3.34Å; E205-M207 VanDerWaalsContact C-N 3.34Å |
| 208 | S | 95.4 | Very high | 94.6 | Very high | 79 Ų | 79 | 51.4 Ų | 51.4 | 55% | 0.552 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 19.8 | -178.6 | -49.5 | 0 | 0 | 0 | 0 | 113.6 | E139 G206 A210 | E139-S208 PolarHBondContact OE1-OG 2.62Å; G206-S208 VanDerWaalsContact C-N 3.31Å; G206-S208 PolarHBondContact O-N 3.36Å; S208-A210 PolarHBondContact O-N 2.85Å |
| 209 | N | 96.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | trans | -58.2 | 135.5 | 174 | -78 | -15.8 | 0 | 0 | 0 | 110.6 | T199 D201 G206 | T199-N209 CarbonylContact C-O 3.53Å; T199-N209 WeakPolarHBondContact CB-O 3.33Å; T199-N209 VanDerWaalsContact O-CB 3.24Å; T199-N209 WeakPolarHBondContact O-CB 3.27Å; T199-N209 PolarHBondContact OG1-O 3.09Å; D201-N209 PolarHBondContact OD2-ND2 3.37Å; G206-N209 WeakPolarHBondContact CA-ND2 3.46Å; G206-N209 VanDerWaalsContact O-CB 3.31Å; G206-N209 WeakPolarHBondContact O-CB 3.41Å; G206-N209 PolarHBondContact O-N 2.87Å; G206-N209 PolarHBondContact O-ND2 3.31Å | ||
| 210 | A | 97.4 | Very high | 94.3 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | trans | -98.9 | -3.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | M152 L153 S208 | M152-A210 WeakPolarHBondContact CA-O 3.33Å; L153-A210 HydrophobicContact CB-CB 4.29Å; L153-A210 HydrophobicContact CD1-CB 4.09Å; L153-A210 HydrophobicContact CG-CB 4.28Å; L153-A210 PolarHBondContact N-O 3.04Å; S208-A210 PolarHBondContact O-N 2.85Å | ||
| 211 | N | 97.9 | Very high | 94.2 | Very high | 87 Ų | 87 | 54 Ų | 54 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -146.9 | 136.4 | -173.3 | -175.5 | 3 | 0 | 0 | 0 | 111.2 | C151 M152 G213 R216 | C151-N211 PolarHBondContact O-OD1 3.45Å; M152-N211 HydrophobicContact CB-CB 4.5Å; N211-G213 PolarHBondContact O-N 3.16Å; N211-R216 PolarHBondContact OD1-NH2 2.87Å |
| 212 | G | 96.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 73.4 | -111.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C151 C215 | C151-G212 PolarHBondContact O-N 2.52Å; G212-C215 WeakPolarHBondContact O-CB 3.05Å |
| 213 | G | 95.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | 54.5 | -149.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T199 S200 N211 C215 R216 S217 | T199-G213 WeakPolarHBondContact O-CA 3.27Å; S200-G213 CarbonylContact O-C 3.42Å; S200-G213 WeakPolarHBondContact O-CA 3.26Å; N211-G213 PolarHBondContact O-N 3.16Å; G213-C215 PolarHBondContact O-N 2.05Å; G213-C215 VanDerWaalsContact O-N 3.13Å; G213-R216 PolarHBondContact O-N 3.29Å; G213-S217 PolarHBondContact O-N 2.85Å; G213-S217 PolarHBondContact O-OG 3.26Å |
| 214 | L | 94.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.4 | -26.9 | -179.3 | -70.4 | 166.5 | 0 | 0 | 0 | 113.6 | D135 L138 T198 S200 R216 S217 N218 G219 M220 | D135-L214 HydrophobicContact CB-CD1 3.95Å; D135-L214 HydrophobicContact CB-CD2 4.38Å; L138-L214 HydrophobicContact CD2-CD1 4.37Å; T198-L214 HydrophobicContact CG2-CB 4.16Å; T198-L214 HydrophobicContact CG2-CD1 4.01Å; S200-L214 WeakPolarHBondContact O-CB 3.24Å; S200-L214 VanDerWaalsContact O-CG 3.24Å; S200-L214 WeakPolarHBondContact O-CG 3.38Å; S200-L214 PolarHBondContact O-N 3.25Å; L214-R216 VanDerWaalsContact C-N 3.31Å; L214-R216 PolarHBondContact O-N 3.16Å; L214-S217 WeakPolarHBondContact CA-OG 3.32Å; L214-N218 HydrophobicContact CD2-CB 4.27Å; L214-N218 CarbonylContact O-C 3.59Å; L214-N218 WeakPolarHBondContact O-CA 3.45Å; L214-N218 PolarHBondContact O-N 2.8Å; L214-G219 PolarHBondContact O-N 3.13Å; L214-G219 VanDerWaalsContact O-N 3.14Å; L214-M220 HydrophobicContact CB-CB 4.09Å; L214-M220 HydrophobicContact CB-CG 4.21Å; L214-M220 HydrophobicContact CB-SD 3.69Å; L214-M220 HydrophobicContact CD1-SD 3.9Å; L214-M220 HydrophobicContact CD2-SD 3.97Å; L214-M220 HydrophobicContact CG-SD 4.06Å; L214-M220 PolarHBondContact O-N 3.14Å |
| 215 | C | 96.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 171.5 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | C151 I197 T198 G212 G213 G219 | C151-C215 WeakPolarHBondContact CA-SG 3.48Å; C151-C215 HydrophobicContact CB-CB 3.63Å; C151-C215 WeakPolarHBondContact CB-SG 3.41Å; C151-C215 WeakPolarHBondContact SG-CB 3.4Å; C151-C215 PolarHBondContact SG-O 2.94Å; C151-C215 CovalentContact SG-SG 2.05Å; C151-C215 PolarHBondContact SG-SG 2.97Å; I197-C215 HydrophobicContact CB-CB 4.29Å; T198-C215 WeakPolarHBondContact O-CA 3.29Å; T198-C215 WeakPolarHBondContact O-CB 3.37Å; T198-C215 PolarHBondContact O-N 3.39Å; G212-C215 WeakPolarHBondContact O-CB 3.05Å; G213-C215 PolarHBondContact O-N 2.05Å; G213-C215 VanDerWaalsContact O-N 3.13Å; C215-G219 WeakPolarHBondContact O-CA 3.42Å; C215-G219 PolarHBondContact O-N 3.39Å |
| 216 | R | 94.9 | Very high | 95.3 | Very high | 154 Ų | 154 | 36 Ų | 36 | 58% | 0.581 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -87.5 | -43.1 | -178.9 | -172.8 | 177.1 | -64.3 | 153.3 | 9.3 | 112.2 | K150 C151 N211 G213 L214 | K150-R216 PolarHBondContact O-NH2 2.94Å; K150-R216 VanDerWaalsContact O-NH2 3.16Å; C151-R216 HydrophobicContact CB-CB 4.31Å; N211-R216 PolarHBondContact OD1-NH2 2.87Å; G213-R216 PolarHBondContact O-N 3.29Å; L214-R216 VanDerWaalsContact C-N 3.31Å; L214-R216 PolarHBondContact O-N 3.16Å |
| 217 | S | 92.7 | Very high | 95.3 | Very high | 84 Ų | 84 | 38.2 Ų | 38.2 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -76.3 | -37.5 | -175.9 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | G213 L214 | G213-S217 PolarHBondContact O-N 2.85Å; G213-S217 PolarHBondContact O-OG 3.26Å; L214-S217 WeakPolarHBondContact CA-OG 3.32Å |
| 218 | N | 91.4 | Very high | 95 | Very high | 76 Ų | 76 | 39.7 Ų | 39.7 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -123.2 | 5.4 | -171.6 | -64.3 | 76.2 | 0 | 0 | 0 | 113 | A94 L214 M220 | A94-N218 HydrophobicContact CB-CB 3.96Å; L214-N218 HydrophobicContact CD2-CB 4.27Å; L214-N218 CarbonylContact O-C 3.59Å; L214-N218 WeakPolarHBondContact O-CA 3.45Å; L214-N218 PolarHBondContact O-N 2.8Å; N218-M220 HydrophobicContact CB-CG 4.04Å; N218-M220 HydrophobicContact CB-SD 4.48Å; N218-M220 PolarHBondContact O-N 3.46Å |
| 219 | G | 93.4 | Very high | 93.8 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | trans | 63.1 | 24.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L214 C215 K221 | L214-G219 PolarHBondContact O-N 3.13Å; L214-G219 VanDerWaalsContact O-N 3.14Å; C215-G219 WeakPolarHBondContact O-CA 3.42Å; C215-G219 PolarHBondContact O-N 3.39Å; G219-K221 PolarHBondContact O-N 3.32Å | ||
| 220 | M | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -73.6 | 79.8 | -179.2 | -69.4 | -174.9 | 71.3 | 0 | 0 | 111.4 | W92 A94 F99 L138 T198 L214 N218 | W92-M220 HydrophobicContact CG-CE 4.14Å; W92-M220 VanDerWaalsContact O-CE 3.27Å; W92-M220 WeakPolarHBondContact O-CE 3.5Å; A94-M220 HydrophobicContact CB-CG 4.4Å; A94-M220 HydrophobicContact CB-SD 3.67Å; F99-M220 HydrophobicContact CD2-CG 4.36Å; F99-M220 HydrophobicContact CE2-CE 4.46Å; F99-M220 HydrophobicContact CG-CG 4.31Å; L138-M220 HydrophobicContact CD2-CE 4.14Å; T198-M220 PolarHBondContact N-O 3.12Å; L214-M220 HydrophobicContact CB-CB 4.09Å; L214-M220 HydrophobicContact CB-CG 4.21Å; L214-M220 HydrophobicContact CB-SD 3.69Å; L214-M220 HydrophobicContact CD1-SD 3.9Å; L214-M220 HydrophobicContact CD2-SD 3.97Å; L214-M220 HydrophobicContact CG-SD 4.06Å; L214-M220 PolarHBondContact O-N 3.14Å; N218-M220 HydrophobicContact CB-CG 4.04Å; N218-M220 HydrophobicContact CB-SD 4.48Å; N218-M220 PolarHBondContact O-N 3.46Å | ||
| 221 | K | 96.6 | Very high | 90.1 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 11% | 0.109 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 147.5 | -179.5 | 64.4 | -178.5 | -177.5 | -176.1 | 0 | 109.5 | R104 P107 Y148 F196 I197 G219 | R104-K221 WeakPolarHBondContact O-CE 3.31Å; R104-K221 PolarHBondContact O-NZ 2.89Å; P107-K221 VanDerWaalsContact CD-O 3.28Å; P107-K221 WeakPolarHBondContact CD-O 3.31Å; Y148-K221 HydrophobicContact CD2-CB 4.16Å; Y148-K221 HydrophobicContact CD2-CD 4.36Å; Y148-K221 HydrophobicContact CE1-CD 4.12Å; Y148-K221 HydrophobicContact CE2-CB 3.53Å; Y148-K221 HydrophobicContact CE2-CD 3.84Å; Y148-K221 HydrophobicContact CE2-CG 3.79Å; F196-K221 CarbonylContact O-C 3.55Å; F196-K221 WeakPolarHBondContact O-CA 3.49Å; F196-K221 WeakPolarHBondContact O-CB 3.34Å; I197-K221 HydrophobicContact CB-CB 4.4Å; I197-K221 HydrophobicContact CG2-CB 3.79Å; G219-K221 PolarHBondContact O-N 3.32Å |
| 222 | M | 96.5 | Very high | 87.8 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.02 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 156.3 | 177 | 70.9 | 169.3 | 177.5 | 0 | 0 | 112.6 | V90 W92 P107 I119 Y148 F196 | V90-M222 HydrophobicContact CG1-SD 4.43Å; W92-M222 HydrophobicContact CH2-CG 3.93Å; W92-M222 HydrophobicContact CZ3-CB 4.39Å; W92-M222 HydrophobicContact CZ3-CE 3.79Å; W92-M222 HydrophobicContact CZ3-CG 3.67Å; W92-M222 HydrophobicContact CZ3-SD 3.74Å; P107-M222 HydrophobicContact CG-CB 3.91Å; I119-M222 HydrophobicContact CD1-CE 3.58Å; I119-M222 HydrophobicContact CG1-CE 4.29Å; Y148-M222 WeakPolarHBondContact CE2-O 3.32Å; F196-M222 HydrophobicContact CB-CE 3.82Å; F196-M222 HydrophobicContact CB-CG 3.68Å; F196-M222 HydrophobicContact CD1-CE 3.9Å; F196-M222 HydrophobicContact CD2-CE 3.68Å; F196-M222 HydrophobicContact CD2-CG 4.12Å; F196-M222 HydrophobicContact CE1-CE 4.38Å; F196-M222 HydrophobicContact CE2-CE 4.19Å; F196-M222 HydrophobicContact CG-CE 3.53Å; F196-M222 HydrophobicContact CG-CG 4.18Å; F196-M222 PolarHBondContact N-O 2.93Å; F196-M222 PolarHBondContact O-N 2.82Å |
| 223 | V | 97 | Very high | 85.6 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.5 | 171.3 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | P107 T108 L109 Y148 R193 Y194 Y195 | P107-V223 PolarHBondContact O-N 2.59Å; T108-V223 CarbonylContact C-O 3.57Å; T108-V223 VanDerWaalsContact CA-O 3.31Å; T108-V223 WeakPolarHBondContact CA-O 3.21Å; T108-V223 HydrophobicContact CG2-CB 4.35Å; T108-V223 HydrophobicContact CG2-CG1 4.4Å; L109-V223 PolarHBondContact N-O 2.93Å; Y148-V223 HydrophobicContact CE1-CG2 4.12Å; Y148-V223 HydrophobicContact CE2-CG2 4.35Å; Y148-V223 WeakPolarHBondContact OH-CG2 3.43Å; R193-V223 HydrophobicContact CB-CG1 4.12Å; R193-V223 HydrophobicContact CG-CG1 4.25Å; Y194-V223 CarbonylContact O-C 3.45Å; Y194-V223 WeakPolarHBondContact O-CA 3.26Å; Y195-V223 HydrophobicContact CD1-CG1 4.4Å; Y195-V223 HydrophobicContact CD1-CG2 4.02Å; Y195-V223 HydrophobicContact CE1-CG1 4.19Å; Y195-V223 HydrophobicContact CE1-CG2 4.15Å |
| 224 | M | 96.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 117.1 | 168.2 | -179.9 | -175.6 | -70.1 | 0 | 0 | 108.3 | L109 V111 L117 L174 V176 F188 R193 Y194 F196 V226 | L109-M224 CarbonylContact O-C 3.57Å; L109-M224 WeakPolarHBondContact O-CA 3.26Å; V111-M224 HydrophobicContact CB-CG 4.35Å; V111-M224 HydrophobicContact CG1-CG 3.85Å; V111-M224 HydrophobicContact CG1-SD 4.41Å; V111-M224 HydrophobicContact CG2-CG 3.47Å; V111-M224 VanDerWaalsContact CG2-CG 3.47Å; V111-M224 HydrophobicContact CG2-SD 3.88Å; L117-M224 HydrophobicContact CD2-CE 3.91Å; L174-M224 HydrophobicContact CD1-CE 4.43Å; V176-M224 HydrophobicContact CG2-SD 4.22Å; F188-M224 HydrophobicContact CD1-SD 4.04Å; F188-M224 HydrophobicContact CE1-SD 3.66Å; F188-M224 HydrophobicContact CZ-SD 4.2Å; R193-M224 CarbonylContact C-O 3.53Å; R193-M224 WeakPolarHBondContact CA-O 3.28Å; Y194-M224 PolarHBondContact N-O 2.63Å; Y194-M224 PolarHBondContact O-N 3.07Å; F196-M224 HydrophobicContact CD2-CB 4.41Å; F196-M224 HydrophobicContact CE2-CB 3.77Å; F196-M224 HydrophobicContact CE2-CE 3.91Å; F196-M224 HydrophobicContact CE2-SD 4.24Å; F196-M224 HydrophobicContact CZ-CE 3.9Å; F196-M224 HydrophobicContact CZ-SD 4.37Å; M224-V226 HydrophobicContact CG-CG2 4.45Å |
| 225 | D | 96.4 | Very high | 80.6 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 12% | 0.118 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 106.9 | 177.9 | -157 | -13.2 | 0 | 0 | 0 | 109.7 | T108 L109 V111 R193 Q227 | T108-D225 HydrophobicContact CG2-CB 4.07Å; L109-D225 PolarHBondContact O-N 3.22Å; V111-D225 PolarHBondContact N-O 2.98Å; R193-D225 HydrophobicContact CG-CB 4.23Å; R193-D225 IonicContact CZ-OD2 3.29Å; R193-D225 VanDerWaalsContact CZ-OD2 3.29Å; R193-D225 IonicContact NE-OD1 3.9Å; R193-D225 IonicContact NE-OD2 2.82Å; R193-D225 PolarHBondContact NE-OD2 3.48Å; R193-D225 IonicContact NH2-OD2 2.9Å; R193-D225 PolarHBondContact NH2-OD2 3.36Å; D225-Q227 PolarHBondContact O-N 2.9Å |
| 226 | V | 95.7 | Very high | 77.5 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 108.4 | -177.3 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | V111 I113 V176 F188 G191 R192 Y194 M224 | V111-V226 HydrophobicContact CG2-CB 4.21Å; V111-V226 HydrophobicContact CG2-CG1 4.42Å; V111-V226 HydrophobicContact CG2-CG2 3.75Å; V111-V226 CarbonylContact O-C 3.58Å; V111-V226 WeakPolarHBondContact O-CA 3.08Å; I113-V226 HydrophobicContact CD1-CG1 3.74Å; I113-V226 HydrophobicContact CG1-CG1 4.36Å; V176-V226 HydrophobicContact CG1-CG1 4.29Å; V176-V226 HydrophobicContact CG1-CG2 4.41Å; F188-V226 HydrophobicContact CB-CG2 4.22Å; F188-V226 HydrophobicContact CD1-CG2 4.29Å; G191-V226 VanDerWaalsContact CA-O 3.27Å; G191-V226 WeakPolarHBondContact CA-O 3.31Å; G191-V226 PolarHBondContact N-O 2.5Å; R192-V226 WeakPolarHBondContact O-CB 3.41Å; R192-V226 PolarHBondContact O-N 2.95Å; Y194-V226 HydrophobicContact CD2-CG2 3.71Å; Y194-V226 HydrophobicContact CE2-CG2 3.8Å; M224-V226 HydrophobicContact CG-CG2 4.45Å |
| 227 | Q | 93.6 | Very high | 74.8 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 23% | 0.234 | 36% | 0.36 | C | S | . | . | trans | -67.2 | 145.5 | -174.4 | -62.8 | -62.7 | -30.3 | 0 | 0 | 112.1 | D110 V111 Q112 D225 | D110-Q227 HydrophobicContact CB-CG 4.39Å; D110-Q227 PolarHBondContact OD1-NE2 2.72Å; V111-Q227 PolarHBondContact O-N 3.27Å; Q112-Q227 HydrophobicContact CG-CB 4.33Å; D225-Q227 PolarHBondContact O-N 2.9Å | ||
| 228 | N | 87 | Confident | 72.1 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.353 | 37% | 0.369 | S | S | . | . | trans | -74.4 | 135.3 | 171.9 | -83.2 | -36.5 | 0 | 0 | 0 | 110.3 | P190 G191 A230 N231 | P190-N228 WeakPolarHBondContact CB-OD1 3.42Å; G191-N228 VanDerWaalsContact CA-OD1 3.24Å; G191-N228 WeakPolarHBondContact CA-OD1 3.24Å; G191-N228 PolarHBondContact N-OD1 2.9Å; N228-A230 PolarHBondContact O-N 3.01Å; N228-A230 VanDerWaalsContact O-N 3.11Å; N228-N231 WeakPolarHBondContact O-CB 2.95Å; N228-N231 PolarHBondContact O-N 2.77Å | ||
| 229 | A | 69.2 | Low | 69.4 | Low | 77 Ų | 77 | 62.5 Ų | 62.5 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -56.6 | -29.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N231 N232 | A229-N231 VanDerWaalsContact C-N 3.3Å; A229-N231 PolarHBondContact O-N 2.75Å; A229-N232 PolarHBondContact O-N 3.33Å |
| 230 | A | 61.7 | Low | 66.9 | Low | 67 Ų | 67 | 66.5 Ų | 66.5 | 55% | 0.554 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -66.2 | -28.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | N228 N232 L233 | N228-A230 PolarHBondContact O-N 3.01Å; N228-A230 VanDerWaalsContact O-N 3.11Å; A230-N232 PolarHBondContact O-N 2.97Å; A230-L233 PolarHBondContact O-N 3.21Å |
| 231 | N | 55.2 | Low | 64.1 | Low | 75 Ų | 75 | 69.9 Ų | 69.9 | 40% | 0.401 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -68.8 | -24.5 | 179.4 | -74.7 | -2.6 | 0 | 0 | 0 | 112 | N228 A229 L233 T234 S235 | N228-N231 WeakPolarHBondContact O-CB 2.95Å; N228-N231 PolarHBondContact O-N 2.77Å; A229-N231 VanDerWaalsContact C-N 3.3Å; A229-N231 PolarHBondContact O-N 2.75Å; N231-L233 PolarHBondContact O-N 2.84Å; N231-T234 PolarHBondContact O-N 2.91Å; N231-S235 VanDerWaalsContact O-CB 3.28Å; N231-S235 WeakPolarHBondContact O-CB 3.38Å; N231-S235 PolarHBondContact O-N 2.98Å; N231-S235 PolarHBondContact O-OG 3.06Å |
| 232 | N | 50.7 | Low | 61.1 | Low | 84 Ų | 84 | 77.7 Ų | 77.7 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -71.8 | -14.2 | 177.8 | -74.4 | -22.3 | 0 | 0 | 0 | 113.9 | Q112 A229 A230 | Q112-N232 PolarHBondContact NE2-ND2 3.06Å; Q112-N232 VanDerWaalsContact NE2-ND2 3.13Å; Q112-N232 PolarHBondContact NE2-OD1 3.21Å; Q112-N232 PolarHBondContact OE1-ND2 3.2Å; A229-N232 PolarHBondContact O-N 3.33Å; A230-N232 PolarHBondContact O-N 2.97Å |
| 233 | L | 48.5 | Very low | 58 | Low | 158 Ų | 158 | 82.9 Ų | 82.9 | 83% | 0.827 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -92.7 | -14.2 | 178.4 | -75 | 157.8 | 0 | 0 | 0 | 113.2 | A230 N231 | A230-L233 PolarHBondContact O-N 3.21Å; N231-L233 PolarHBondContact O-N 2.84Å |
| 234 | T | 45.5 | Very low | 55 | Low | 121 Ų | 121 | 88.8 Ų | 88.8 | 74% | 0.742 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | -11.1 | -179.4 | 44.3 | 0 | 0 | 0 | 0 | 114.1 | N231 K236 | N231-T234 PolarHBondContact O-N 2.91Å; T234-K236 PolarHBondContact O-N 2.98Å |
| 235 | S | 39.2 | Very low | 51.9 | Low | 64 Ų | 64 | 96.1 Ų | 96.1 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -75 | 111.1 | 165 | 65.4 | 0 | 0 | 0 | 0 | 108.4 | N231 | N231-S235 VanDerWaalsContact O-CB 3.28Å; N231-S235 WeakPolarHBondContact O-CB 3.38Å; N231-S235 PolarHBondContact O-N 2.98Å; N231-S235 PolarHBondContact O-OG 3.06Å |
| 236 | K | 30.7 | Very low | 48.8 | Very low | 155 Ų | 155 | 101 Ų | 101 | 67% | 0.674 | 56% | 0.564 | S | S | * | * | trans | -35.9 | 131.3 | 156.6 | -176.9 | 179.8 | 179.6 | 178.1 | 0 | 107.6 | T234 | T234-K236 PolarHBondContact O-N 2.98Š| ||
| 237 | P | 38.7 | Very low | 45.8 | Very low | 98 Ų | 98 | 108.3 Ų | 108.3 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 135.8 | 174.3 | 21.2 | -31.7 | 0 | 0 | 0 | 107 | N239 | P237-N239 PolarHBondContact O-N 3.07Š|
| 238 | P | 37.2 | Very low | 42.8 | Very low | 119 Ų | 119 | 114 Ų | 114 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 117.3 | 179.1 | 21.5 | -30.6 | 0 | 0 | 0 | 105.8 | P240 | P238-P240 VanDerWaalsContact O-CD 3.28Å; P238-P240 WeakPolarHBondContact O-CD 3.44Å |
| 239 | N | 34.3 | Very low | 40.3 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 118 | -169.5 | -164.5 | 17.3 | 0 | 0 | 0 | 106.5 | P237 A241 K242 | P237-N239 PolarHBondContact O-N 3.07Å; N239-A241 PolarHBondContact O-N 2.8Å; N239-K242 PolarHBondContact O-N 3.25Å; N239-K242 VanDerWaalsContact O-N 3.14Å |
| 240 | P | 41 | Very low | 38.4 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -3.8 | -178.1 | 22.6 | -31 | 0 | 0 | 0 | 112.4 | P238 | P238-P240 VanDerWaalsContact O-CD 3.28Å; P238-P240 WeakPolarHBondContact O-CD 3.44Å |
| 241 | A | 35.2 | Very low | 37 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 60% | 0.595 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 8.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | N239 T243 | N239-A241 PolarHBondContact O-N 2.8Å; A241-T243 VanDerWaalsContact C-N 3.28Å |
| 242 | K | 33.6 | Very low | 35.9 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 82% | 0.817 | 66% | 0.663 | S | S | * | * | trans | -98 | 60 | 153.9 | -78.3 | -166.4 | 179.3 | -171.3 | 0 | 108.7 | N239 K244 | N239-K242 PolarHBondContact O-N 3.25Å; N239-K242 VanDerWaalsContact O-N 3.14Å; K242-K244 VanDerWaalsContact C-N 3.32Å; K242-K244 PolarHBondContact O-N 2.95Å | ||
| 243 | T | 31.7 | Very low | 35.1 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | trans | -56.2 | 106.6 | 153.6 | 41.4 | 0 | 0 | 0 | 0 | 105.6 | A241 E245 | A241-T243 VanDerWaalsContact C-N 3.28Å; T243-E245 PolarHBondContact O-N 3.22Å | ||
| 244 | K | 34.5 | Very low | 34.5 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 58% | 0.578 | 67% | 0.672 | S | S | * | * | trans | -49.2 | 112.4 | 176.2 | -65.6 | 175.7 | 176.6 | -175.7 | 0 | 106.9 | K242 Y246 | K242-K244 VanDerWaalsContact C-N 3.32Å; K242-K244 PolarHBondContact O-N 2.95Å; K244-Y246 HydrophobicContact CB-CE2 4.36Å; K244-Y246 WeakPolarHBondContact O-CD2 3.47Å; K244-Y246 WeakPolarHBondContact O-CE2 3.45Å; K244-Y246 PolarHBondContact O-N 2.88Å | ||
| 245 | E | 29.6 | Very low | 34.2 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | trans | -64.1 | 109.2 | 169.4 | -93 | 177.7 | 160.5 | 0 | 0 | 106.5 | T243 F247 | T243-E245 PolarHBondContact O-N 3.22Å; E245-F247 HydrophobicContact CB-CD2 4.49Å; E245-F247 HydrophobicContact CB-CE2 3.99Å; E245-F247 PolarHBondContact O-N 3.5Å | ||
| 246 | Y | 33.1 | Very low | 34.1 | Very low | 126 Ų | 126 | 136 Ų | 136 | 49% | 0.494 | 69% | 0.691 | S | S | . | * | trans | -79.4 | 112.1 | 175.5 | -58.2 | -95.3 | 0 | 0 | 0 | 106.9 | K244 V307 | K244-Y246 HydrophobicContact CB-CE2 4.36Å; K244-Y246 WeakPolarHBondContact O-CD2 3.47Å; K244-Y246 WeakPolarHBondContact O-CE2 3.45Å; K244-Y246 PolarHBondContact O-N 2.88Å; Y246-V307 HydrophobicContact CD1-CB 3.7Å; Y246-V307 HydrophobicContact CD1-CG1 3.98Å; Y246-V307 HydrophobicContact CD1-CG2 3.46Å; Y246-V307 VanDerWaalsContact CD1-CG2 3.46Å; Y246-V307 HydrophobicContact CE1-CB 4.11Å; Y246-V307 HydrophobicContact CE1-CG1 4.06Å; Y246-V307 HydrophobicContact CE1-CG2 3.58Å | ||
| 247 | F | 32.1 | Very low | 34.6 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | trans | -92.6 | 122.9 | 162.6 | -70.4 | -87.3 | 0 | 0 | 0 | 108 | E245 | E245-F247 HydrophobicContact CB-CD2 4.49Å; E245-F247 HydrophobicContact CB-CE2 3.99Å; E245-F247 PolarHBondContact O-N 3.5Å | ||
| 248 | F | 29.2 | Very low | 34.7 | Very low | 168 Ų | 168 | 140 Ų | 140 | 74% | 0.737 | 70% | 0.701 | S | S | * | * | trans | -80.3 | 117.8 | 178.2 | -45.3 | -86.3 | 0 | 0 | 0 | 108.5 | ||||
| 249 | I | 34.6 | Very low | 35.1 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 57% | 0.574 | 70% | 0.703 | S | S | * | * | trans | -98.9 | 103 | 165.2 | -55.1 | 175.5 | 0 | 0 | 0 | 106.4 | Y251 | I249-Y251 PolarHBondContact O-N 2.88Š| ||
| 250 | T | 30.6 | Very low | 35.7 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | -75.2 | 110.5 | 164.5 | 46.4 | 0 | 0 | 0 | 0 | 107.8 | Q252 | T250-Q252 PolarHBondContact O-N 2.91Å; T250-Q252 VanDerWaalsContact O-N 3.13Å | ||
| 251 | Y | 32.8 | Very low | 35.7 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | trans | -69 | 107.6 | 162.9 | -59.1 | -85.7 | 0 | 0 | 0 | 106.7 | I249 T253 | I249-Y251 PolarHBondContact O-N 2.88Å; Y251-T253 PolarHBondContact O-N 3.04Å; Y251-T253 VanDerWaalsContact O-N 3.17Å | ||
| 252 | Q | 31.7 | Very low | 36.4 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -66.4 | 109.5 | 157.2 | -86.9 | 172.3 | -43.9 | 0 | 0 | 105.3 | T250 | T250-Q252 PolarHBondContact O-N 2.91Å; T250-Q252 VanDerWaalsContact O-N 3.13Å | ||
| 253 | T | 33.4 | Very low | 36.8 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | trans | -47.4 | 124.5 | 160.1 | 38.3 | 0 | 0 | 0 | 0 | 106.6 | Y251 E255 | Y251-T253 PolarHBondContact O-N 3.04Å; Y251-T253 VanDerWaalsContact O-N 3.17Å; T253-E255 PolarHBondContact O-N 3.46Å | ||
| 254 | P | 35.3 | Very low | 37 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | trans | -57.6 | 115.2 | 177.7 | 23.9 | -29.8 | 0 | 0 | 0 | 105.9 | F256 | P254-F256 PolarHBondContact O-N 3.18Å; P254-F256 VanDerWaalsContact O-N 3.1Å | ||
| 255 | E | 39.4 | Very low | 37.5 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -52.1 | 122.8 | 167.4 | -74.4 | -176.5 | 156.8 | 0 | 0 | 105 | T253 F257 | T253-E255 PolarHBondContact O-N 3.46Å; E255-F257 VanDerWaalsContact C-N 3.26Å; E255-F257 WeakPolarHBondContact O-CD2 3.37Å; E255-F257 PolarHBondContact O-N 3.23Å | ||
| 256 | F | 37 | Very low | 37.6 | Very low | 201 Ų | 201 | 148.8 Ų | 148.8 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | -54.2 | 102.6 | 167.9 | -89 | -100.5 | 0 | 0 | 0 | 105.5 | P254 E258 | P254-F256 PolarHBondContact O-N 3.18Å; P254-F256 VanDerWaalsContact O-N 3.1Å; F256-E258 VanDerWaalsContact C-N 3.29Å; F256-E258 PolarHBondContact O-N 3.3Å | ||
| 257 | F | 40.7 | Very low | 37.8 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | -65.5 | 104 | 161.9 | -67.5 | -81.2 | 0 | 0 | 0 | 103.9 | E255 D259 | E255-F257 VanDerWaalsContact C-N 3.26Å; E255-F257 WeakPolarHBondContact O-CD2 3.37Å; E255-F257 PolarHBondContact O-N 3.23Å; F257-D259 PolarHBondContact O-N 2.81Å | ||
| 258 | E | 42.1 | Very low | 37.8 | Very low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | -57.5 | 100.8 | 156.9 | -69.1 | 177.5 | 158.1 | 0 | 0 | 104.4 | F256 D260 | F256-E258 VanDerWaalsContact C-N 3.29Å; F256-E258 PolarHBondContact O-N 3.3Å; E258-D260 PolarHBondContact O-N 2.98Å | ||
| 259 | D | 44.8 | Very low | 38.2 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | -64.4 | 96.4 | 168.3 | -74.5 | -36.5 | 0 | 0 | 0 | 105.7 | F257 D261 | F257-D259 PolarHBondContact O-N 2.81Å; D259-D261 PolarHBondContact O-N 3.15Å; D259-D261 VanDerWaalsContact O-N 3.11Å | ||
| 260 | D | 46.9 | Very low | 38.4 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -56.5 | 112.9 | 169.2 | -79.4 | -42 | 0 | 0 | 0 | 108.1 | E258 D262 | E258-D260 PolarHBondContact O-N 2.98Å; D260-D262 PolarHBondContact O-N 2.78Å | ||
| 261 | D | 42.2 | Very low | 38.5 | Very low | 167 Ų | 167 | 154.3 Ų | 154.3 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -54.1 | 103.8 | 170.8 | -94.6 | -40.8 | 0 | 0 | 0 | 110.4 | D259 | D259-D261 PolarHBondContact O-N 3.15Å; D259-D261 VanDerWaalsContact O-N 3.11Å | ||
| 262 | D | 49 | Very low | 39.2 | Very low | 149 Ų | 149 | 153.9 Ų | 153.9 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -122.5 | 92.7 | 164 | -88.1 | -29.5 | 0 | 0 | 0 | 110.4 | D260 | D260-D262 PolarHBondContact O-N 2.78Š| ||
| 263 | S | 41.6 | Very low | 39.5 | Very low | 91 Ų | 91 | 152.4 Ų | 152.4 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | 36.2 | 131.5 | 138.3 | 62.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 264 | D | 37.1 | Very low | 39.9 | Very low | 143 Ų | 143 | 152.2 Ų | 152.2 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | 71.5 | 94.3 | 142.8 | -57.6 | -18.8 | 0 | 0 | 0 | 118.9 | ||||
| 265 | Q | 43.6 | Very low | 40.2 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | -172.1 | 124.7 | 110.9 | -102.5 | 162.2 | 62.7 | 0 | 0 | 113.9 | |||||
| 266 | T | 31.4 | Very low | 40.1 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -54.4 | 131.6 | 167.8 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 267 | T | 37.7 | Very low | 40 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | -146.5 | 112.6 | 140.2 | 26.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 268 | Q | 32.5 | Very low | 39.5 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -71.4 | 129 | 175.5 | -179 | -176.3 | -17 | 0 | 0 | 109.6 | ||||
| 269 | V | 38.3 | Very low | 39 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -134.3 | 112.3 | 163.1 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 270 | D | 37.8 | Very low | 38.3 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | trans | -66.5 | 145.1 | -177.9 | -73.2 | -50.5 | 0 | 0 | 0 | 112.7 | ||||
| 271 | Y | 33.8 | Very low | 37.4 | Very low | 232 Ų | 232 | 146 Ų | 146 | 91% | 0.91 | 80% | 0.8 | S | S | * | * | trans | -93.1 | 122.5 | 168.4 | -83.4 | -95.9 | 0 | 0 | 0 | 109.3 | ||||
| 272 | D | 46.6 | Very low | 36.9 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -115.2 | 127.2 | 164.4 | -100.1 | -27.1 | 0 | 0 | 0 | 110.7 | ||||
| 273 | D | 38.4 | Very low | 36.1 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -81.7 | 130.4 | -178.8 | -170.2 | 13.5 | 0 | 0 | 0 | 109.9 | ||||
| 274 | S | 42 | Very low | 35.8 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -151.5 | 123 | 161.8 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 275 | Q | 41.4 | Very low | 35.5 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 155.4 | -178.9 | -63.6 | 175 | -5.4 | 0 | 0 | 112.9 | ||||
| 276 | N | 37.9 | Very low | 35 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | 86.8 | 114.3 | 153.2 | -53.5 | -34 | 0 | 0 | 0 | 117.7 | ||||
| 277 | G | 33.3 | Very low | 35.4 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 137.2 | 92.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 278 | E | 32 | Very low | 35.3 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 69.5 | 107.1 | 136.3 | -153.3 | 155.6 | 177 | 0 | 0 | 120.4 | ||||
| 279 | I | 30 | Very low | 36.1 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 38.9 | 106.5 | 142.5 | -55.3 | 171.4 | 0 | 0 | 0 | 117 | ||||
| 280 | T | 30.5 | Very low | 36.4 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -157.6 | 131.1 | 130.2 | 46.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 281 | T | 28.2 | Very low | 36.5 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -38.3 | 123.7 | 170 | -33 | 0 | 0 | 0 | 0 | 114.6 | V283 | T281-V283 HydrophobicContact CG2-CG2 4.38Š| ||
| 282 | A | 31 | Very low | 36.6 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -126.4 | 106.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 283 | V | 32.9 | Very low | 36.1 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | -65.5 | 131.3 | 179.7 | 171.1 | 0 | 0 | 0 | 0 | 109.2 | T281 G285 | T281-V283 HydrophobicContact CG2-CG2 4.38Å; V283-G285 PolarHBondContact O-N 3.2Å | ||
| 284 | T | 35.7 | Very low | 35.7 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -53.6 | 118.3 | 168 | 47 | 0 | 0 | 0 | 0 | 109.6 | D286 | T284-D286 PolarHBondContact O-N 3.23Š| ||
| 285 | G | 29.7 | Very low | 35.3 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -61.9 | 102.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V283 Y287 | V283-G285 PolarHBondContact O-N 3.2Å; G285-Y287 PolarHBondContact O-N 3.42Å | ||
| 286 | D | 33.7 | Very low | 34.9 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | -73.3 | 110.8 | 164.9 | -168.7 | 19.1 | 0 | 0 | 0 | 106.9 | T284 D288 | T284-D286 PolarHBondContact O-N 3.23Å; D286-D288 VanDerWaalsContact C-N 3.28Å; D286-D288 PolarHBondContact O-N 3.04Å | ||
| 287 | Y | 39.2 | Very low | 34.9 | Very low | 214 Ų | 214 | 131.4 Ų | 131.4 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | trans | -70.3 | 89.5 | 173.9 | -76.9 | -85.8 | 0 | 0 | 0 | 108.3 | G285 T289 | G285-Y287 PolarHBondContact O-N 3.42Å; Y287-T289 PolarHBondContact O-N 2.91Å | ||
| 288 | D | 36.1 | Very low | 34.9 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 44% | 0.439 | 75% | 0.748 | S | S | . | * | trans | -70.5 | 93.6 | 176 | -167.3 | 4.9 | 0 | 0 | 0 | 109.7 | D286 N290 E291 | D286-D288 VanDerWaalsContact C-N 3.28Å; D286-D288 PolarHBondContact O-N 3.04Å; D288-N290 PolarHBondContact O-N 3.42Å; D288-N290 VanDerWaalsContact OD1-CB 3.24Å; D288-N290 WeakPolarHBondContact OD1-CB 3.17Å; D288-N290 PolarHBondContact OD1-N 3.4Å; D288-N290 PolarHBondContact OD1-ND2 2.8Å; D288-E291 PolarHBondContact O-N 2.99Å | ||
| 289 | T | 48.5 | Very low | 34.9 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 8.6 | 174.7 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | Y287 W292 | Y287-T289 PolarHBondContact O-N 2.91Å; T289-W292 PolarHBondContact O-NE1 3.3Å |
| 290 | N | 45.9 | Very low | 34.9 | Very low | 97 Ų | 97 | 134 Ų | 134 | 52% | 0.519 | 74% | 0.744 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.1 | -0.1 | 178.6 | -54.5 | -59.4 | 0 | 0 | 0 | 114 | D288 W292 | D288-N290 PolarHBondContact O-N 3.42Å; D288-N290 VanDerWaalsContact OD1-CB 3.24Å; D288-N290 WeakPolarHBondContact OD1-CB 3.17Å; D288-N290 PolarHBondContact OD1-N 3.4Å; D288-N290 PolarHBondContact OD1-ND2 2.8Å; N290-W292 PolarHBondContact O-N 2.8Å |
| 291 | E | 39.6 | Very low | 35.3 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -74.8 | -21.7 | -175.6 | -162.8 | 164.1 | -163.4 | 0 | 0 | 114 | D288 M293 | D288-E291 PolarHBondContact O-N 2.99Å; E291-M293 VanDerWaalsContact C-N 3.34Å; E291-M293 PolarHBondContact O-N 3.36Å |
| 292 | W | 36.9 | Very low | 35.6 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -82.8 | -2.5 | 179.5 | 64.1 | -82.3 | 0 | 0 | 0 | 114.9 | T289 N290 | T289-W292 PolarHBondContact O-NE1 3.3Å; N290-W292 PolarHBondContact O-N 2.8Å |
| 293 | M | 35.4 | Very low | 35.8 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -101.1 | 0.3 | 177.3 | -69.2 | -162.8 | -162.9 | 0 | 0 | 114.4 | E291 T295 | E291-M293 VanDerWaalsContact C-N 3.34Å; E291-M293 PolarHBondContact O-N 3.36Å; M293-T295 PolarHBondContact O-N 2.92Å |
| 294 | R | 29.9 | Very low | 35.7 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | trans | -95.2 | 60.4 | -178.9 | -81.3 | -163.2 | -172.7 | 113.4 | 2.6 | 113.3 | ||||
| 295 | T | 33.5 | Very low | 35.5 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | trans | -150.5 | 121.3 | 155.7 | 45.2 | 0 | 0 | 0 | 0 | 111.9 | M293 | M293-T295 PolarHBondContact O-N 2.92Š| ||
| 296 | T | 33.4 | Very low | 35.8 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | trans | 103.8 | 127.6 | 150.4 | -29.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 297 | A | 36.5 | Very low | 35.9 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 72% | 0.719 | 70% | 0.703 | S | S | * | * | trans | 88.9 | 94.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | G299 | A297-G299 PolarHBondContact O-N 3.42Å; A297-G299 VanDerWaalsContact O-N 3.12Å | ||
| 298 | K | 33.8 | Very low | 35.9 | Very low | 228 Ų | 228 | 130.5 Ų | 130.5 | 99% | 0.991 | 68% | 0.678 | S | S | * | * | trans | -60.9 | 93.9 | 151.3 | -167.3 | -178.7 | -169.2 | 179.5 | 0 | 108.9 | ||||
| 299 | G | 31.6 | Very low | 35.8 | Very low | 58 Ų | 58 | 133.4 Ų | 133.4 | 60% | 0.598 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 179.5 | 121.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A297 T301 | A297-G299 PolarHBondContact O-N 3.42Å; A297-G299 VanDerWaalsContact O-N 3.12Å; G299-T301 PolarHBondContact O-N 2.95Å |
| 300 | D | 31.2 | Very low | 35.7 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 88% | 0.877 | 68% | 0.679 | S | S | * | * | trans | 22.3 | 91.4 | 170.3 | -112.2 | -11.1 | 0 | 0 | 0 | 116.4 | T302 | D300-T302 PolarHBondContact O-N 3.47Š| ||
| 301 | T | 38.2 | Very low | 35.8 | Very low | 133 Ų | 133 | 132 Ų | 132 | 82% | 0.816 | 67% | 0.672 | S | S | * | * | trans | -73.1 | 90.1 | 174.1 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | G299 D303 | G299-T301 PolarHBondContact O-N 2.95Å; T301-D303 PolarHBondContact O-N 3.39Å | ||
| 302 | T | 34.4 | Very low | 36.1 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 76% | 0.755 | 65% | 0.652 | S | S | * | * | trans | -71.5 | 117.8 | 160 | 36.5 | 0 | 0 | 0 | 0 | 109.1 | D300 M304 | D300-T302 PolarHBondContact O-N 3.47Å; T302-M304 PolarHBondContact O-N 2.95Å | ||
| 303 | D | 34.8 | Very low | 36.7 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | trans | -52.8 | 107 | 171.8 | -68.4 | -30.8 | 0 | 0 | 0 | 110.2 | T301 | T301-D303 PolarHBondContact O-N 3.39Š| ||
| 304 | M | 30.7 | Very low | 37.5 | Very low | 176 Ų | 176 | 120.4 Ų | 120.4 | 87% | 0.867 | 63% | 0.633 | S | S | * | * | trans | -77.4 | 125.1 | 168.8 | -81.6 | -165.4 | -60.6 | 0 | 0 | 109.2 | T302 | T302-M304 PolarHBondContact O-N 2.95Š| ||
| 305 | W | 31.8 | Very low | 38.4 | Very low | 193 Ų | 193 | 115.8 Ų | 115.8 | 73% | 0.731 | 62% | 0.62 | S | S | * | * | trans | -106.2 | 126.8 | 172.2 | -66.5 | 83.5 | 0 | 0 | 0 | 108.7 | ||||
| 306 | Y | 35.7 | Very low | 39.1 | Very low | 118 Ų | 118 | 114.5 Ų | 114.5 | 46% | 0.463 | 61% | 0.605 | S | S | . | * | trans | -101.8 | 144.1 | 171.2 | 51.2 | -82.3 | 0 | 0 | 0 | 108.9 | L101 V308 | L101-Y306 HydrophobicContact CB-CE2 4.16Å; L101-Y306 WeakPolarHBondContact CB-OH 3.45Å; L101-Y306 HydrophobicContact CD1-CD2 4.02Å; L101-Y306 HydrophobicContact CD1-CE2 3.4Å; L101-Y306 HydrophobicContact CD2-CE2 3.4Å; L101-Y306 WeakPolarHBondContact CD2-OH 3.48Å; L101-Y306 HydrophobicContact CG-CE2 3.76Å; Y306-V308 HydrophobicContact CD2-CG2 3.89Å; Y306-V308 HydrophobicContact CE2-CG2 4.17Å | ||
| 307 | V | 36.4 | Very low | 39.8 | Very low | 57 Ų | 57 | 110.9 Ų | 110.9 | 35% | 0.345 | 58% | 0.579 | S | S | . | * | trans | -109.4 | 102.2 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 107.5 | Y246 H309 | Y246-V307 HydrophobicContact CD1-CB 3.7Å; Y246-V307 HydrophobicContact CD1-CG1 3.98Å; Y246-V307 HydrophobicContact CD1-CG2 3.46Å; Y246-V307 VanDerWaalsContact CD1-CG2 3.46Å; Y246-V307 HydrophobicContact CE1-CB 4.11Å; Y246-V307 HydrophobicContact CE1-CG1 4.06Å; Y246-V307 HydrophobicContact CE1-CG2 3.58Å; V307-H309 PolarHBondContact O-N 3.45Å | ||
| 308 | V | 39.6 | Very low | 40.2 | Very low | 53 Ų | 53 | 110 Ų | 110 | 32% | 0.321 | 57% | 0.565 | S | S | . | * | trans | -76.3 | 103.3 | 167.3 | -176.4 | 0 | 0 | 0 | 0 | 106.5 | A97 L101 Y306 T310 | A97-V308 HydrophobicContact CB-CB 4.38Å; L101-V308 HydrophobicContact CD1-CB 4.26Å; L101-V308 HydrophobicContact CD1-CG2 3.74Å; L101-V308 HydrophobicContact CD2-CG2 4.36Å; Y306-V308 HydrophobicContact CD2-CG2 3.89Å; Y306-V308 HydrophobicContact CE2-CG2 4.17Å; V308-T310 HydrophobicContact CG1-CG2 4Å; V308-T310 PolarHBondContact O-N 3.33Å | ||
| 309 | H | 34.3 | Very low | 40.4 | Very low | 142 Ų | 142 | 103.4 Ų | 103.4 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | trans | -67.8 | 89.8 | 163.2 | -79 | -90.2 | 0 | 0 | 0 | 107.6 | V307 R311 | V307-H309 PolarHBondContact O-N 3.45Å; H309-R311 PolarHBondContact O-N 3.47Å | ||
| 310 | T | 46.2 | Very low | 40.9 | Very low | 74 Ų | 74 | 103.4 Ų | 103.4 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 116.4 | 160.2 | 60.4 | 0 | 0 | 0 | 0 | 105.8 | A97 V308 | A97-T310 HydrophobicContact CB-CG2 4.11Å; V308-T310 HydrophobicContact CG1-CG2 4Å; V308-T310 PolarHBondContact O-N 3.33Å |
| 311 | R | 46.9 | Very low | 41.1 | Very low | 100 Ų | 100 | 103 Ų | 103 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -46.6 | 151.4 | 168.7 | -105.9 | 178.5 | 165.7 | -151.9 | 10.3 | 109.9 | H309 E315 Q316 L319 | H309-R311 PolarHBondContact O-N 3.47Å; R311-E315 HydrophobicContact CB-CB 3.74Å; R311-E315 WeakPolarHBondContact CD-O 3.46Å; R311-E315 HydrophobicContact CG-CB 3.52Å; R311-E315 HydrophobicContact CG-CG 4.4Å; R311-E315 WeakPolarHBondContact CG-OE2 3.45Å; R311-E315 PolarHBondContact NH1-O 2.95Å; R311-Q316 HydrophobicContact CB-CG 3.51Å; R311-Q316 PolarHBondContact O-NE2 3.12Å; R311-L319 VanDerWaalsContact CZ-CD1 3.49Å |
| 312 | S | 46.6 | Very low | 41.3 | Very low | 43 Ų | 43 | 100.5 Ų | 100.5 | 30% | 0.301 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 152.7 | 171.5 | 83.2 | 0 | 0 | 0 | 0 | 109.4 | E314 E315 Q316 | S312-E314 PolarHBondContact O-N 2.98Å; S312-E314 PolarHBondContact OG-N 3.03Å; S312-E315 PolarHBondContact O-N 3.27Å; S312-E315 PolarHBondContact OG-N 2.84Å; S312-E315 VanDerWaalsContact OG-N 3.09Å; S312-Q316 PolarHBondContact O-N 2.93Å |
| 313 | P | 49.2 | Very low | 41.5 | Very low | 46 Ų | 46 | 99.7 Ų | 99.7 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -51.8 | -30.7 | 175.8 | -27.2 | 34.7 | 0 | 0 | 0 | 113.1 | Y91 Q317 | Y91-P313 HydrophobicContact CE1-CG 4.3Å; P313-Q317 VanDerWaalsContact O-CG 3.24Å; P313-Q317 WeakPolarHBondContact O-CG 3.36Å; P313-Q317 PolarHBondContact O-N 2.77Å |
| 314 | E | 52.4 | Low | 41.9 | Very low | 149 Ų | 149 | 98 Ų | 98 | 70% | 0.696 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71 | -40.1 | 174.8 | -66.5 | 166 | 159.4 | 0 | 0 | 112.4 | S312 Q317 T318 | S312-E314 PolarHBondContact O-N 2.98Å; S312-E314 PolarHBondContact OG-N 3.03Å; E314-Q317 PolarHBondContact O-N 3.17Å; E314-T318 PolarHBondContact O-N 3.01Å |
| 315 | E | 49 | Very low | 42.2 | Very low | 93 Ų | 93 | 94.1 Ų | 94.1 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -75.9 | -26.8 | 176 | -74.9 | -173.3 | 123.2 | 0 | 0 | 113.5 | R311 S312 Q317 T318 L319 | R311-E315 HydrophobicContact CB-CB 3.74Å; R311-E315 WeakPolarHBondContact CD-O 3.46Å; R311-E315 HydrophobicContact CG-CB 3.52Å; R311-E315 HydrophobicContact CG-CG 4.4Å; R311-E315 WeakPolarHBondContact CG-OE2 3.45Å; R311-E315 PolarHBondContact NH1-O 2.95Å; S312-E315 PolarHBondContact O-N 3.27Å; S312-E315 PolarHBondContact OG-N 2.84Å; S312-E315 VanDerWaalsContact OG-N 3.09Å; E315-Q317 VanDerWaalsContact C-N 3.34Å; E315-T318 WeakPolarHBondContact CA-OG1 3.48Å; E315-T318 PolarHBondContact O-OG1 2.74Å; E315-L319 PolarHBondContact O-N 3.27Å |
| 316 | Q | 49.4 | Very low | 42.5 | Very low | 98 Ų | 98 | 92.8 Ų | 92.8 | 46% | 0.458 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.3 | -35.9 | 172.7 | -67.9 | -177.2 | 17 | 0 | 0 | 110.8 | R311 S312 L319 S320 | R311-Q316 HydrophobicContact CB-CG 3.51Å; R311-Q316 PolarHBondContact O-NE2 3.12Å; S312-Q316 PolarHBondContact O-N 2.93Å; Q316-L319 PolarHBondContact O-N 3.32Å; Q316-S320 PolarHBondContact O-N 3.44Å |
| 317 | Q | 48.1 | Very low | 42.6 | Very low | 62 Ų | 62 | 93.4 Ų | 93.4 | 29% | 0.29 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72 | -37 | 177.5 | -74.7 | 171 | 17.8 | 0 | 0 | 112.9 | S125 P313 E314 E315 L319 S320 Y321 | S125-Q317 PolarHBondContact OG-NE2 3.29Å; S125-Q317 PolarHBondContact OG-OE1 3.05Å; P313-Q317 VanDerWaalsContact O-CG 3.24Å; P313-Q317 WeakPolarHBondContact O-CG 3.36Å; P313-Q317 PolarHBondContact O-N 2.77Å; E314-Q317 PolarHBondContact O-N 3.17Å; E315-Q317 VanDerWaalsContact C-N 3.34Å; Q317-L319 VanDerWaalsContact C-N 3.28Å; Q317-L319 PolarHBondContact O-N 3.13Å; Q317-S320 WeakPolarHBondContact CA-OG 3.22Å; Q317-S320 PolarHBondContact O-N 2.88Å; Q317-S320 PolarHBondContact O-OG 3Å; Q317-Y321 WeakPolarHBondContact O-CB 3.34Å; Q317-Y321 PolarHBondContact O-N 3.47Å |
| 318 | T | 43.1 | Very low | 42.7 | Very low | 70 Ų | 70 | 99.1 Ų | 99.1 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -34.6 | 173.3 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | E314 E315 I322 | E314-T318 PolarHBondContact O-N 3.01Å; E315-T318 WeakPolarHBondContact CA-OG1 3.48Å; E315-T318 PolarHBondContact O-OG1 2.74Å; T318-I322 WeakPolarHBondContact O-CB 3.11Å; T318-I322 VanDerWaalsContact O-CD1 3.32Å; T318-I322 WeakPolarHBondContact O-CD1 3.3Å; T318-I322 WeakPolarHBondContact O-CG1 3.32Å; T318-I322 PolarHBondContact O-N 3.26Å |
| 319 | L | 38.2 | Very low | 42.3 | Very low | 88 Ų | 88 | 103 Ų | 103 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.1 | -45.5 | 172.5 | -94.2 | 163.7 | 0 | 0 | 0 | 112.3 | R311 E315 Q316 Q317 Y321 I322 D323 | R311-L319 VanDerWaalsContact CZ-CD1 3.49Å; E315-L319 PolarHBondContact O-N 3.27Å; Q316-L319 PolarHBondContact O-N 3.32Å; Q317-L319 VanDerWaalsContact C-N 3.28Å; Q317-L319 PolarHBondContact O-N 3.13Å; L319-Y321 PolarHBondContact O-N 2.9Å; L319-I322 PolarHBondContact O-N 3.43Å; L319-D323 WeakPolarHBondContact O-CB 3.24Å; L319-D323 PolarHBondContact O-N 3.1Å |
| 320 | S | 41.9 | Very low | 42 | Very low | 58 Ų | 58 | 102.2 Ų | 102.2 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -29.8 | 175.6 | 65.8 | 0 | 0 | 0 | 0 | 112.9 | Q316 Q317 N324 | Q316-S320 PolarHBondContact O-N 3.44Å; Q317-S320 WeakPolarHBondContact CA-OG 3.22Å; Q317-S320 PolarHBondContact O-N 2.88Å; Q317-S320 PolarHBondContact O-OG 3Å; S320-N324 VanDerWaalsContact O-CB 3.3Å; S320-N324 WeakPolarHBondContact O-CB 3.49Å; S320-N324 PolarHBondContact O-N 2.92Å; S320-N324 PolarHBondContact O-ND2 3.22Å |
| 321 | Y | 36.6 | Very low | 41.3 | Very low | 157 Ų | 157 | 102.7 Ų | 102.7 | 62% | 0.616 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.5 | -42.1 | 175 | -177.6 | -93.2 | 0 | 0 | 0 | 111.2 | Q317 L319 N324 Q325 | Q317-Y321 WeakPolarHBondContact O-CB 3.34Å; Q317-Y321 PolarHBondContact O-N 3.47Å; L319-Y321 PolarHBondContact O-N 2.9Å; Y321-N324 PolarHBondContact O-N 3.19Å; Y321-Q325 VanDerWaalsContact O-CB 3.28Å; Y321-Q325 WeakPolarHBondContact O-CB 3.28Å; Y321-Q325 PolarHBondContact O-N 3Å |
| 322 | I | 41.3 | Very low | 40.5 | Very low | 79 Ų | 79 | 103.5 Ų | 103.5 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 173 | -71.2 | 164.2 | 0 | 0 | 0 | 109.5 | T318 L319 N324 Q325 W326 | T318-I322 WeakPolarHBondContact O-CB 3.11Å; T318-I322 VanDerWaalsContact O-CD1 3.32Å; T318-I322 WeakPolarHBondContact O-CD1 3.3Å; T318-I322 WeakPolarHBondContact O-CG1 3.32Å; T318-I322 PolarHBondContact O-N 3.26Å; L319-I322 PolarHBondContact O-N 3.43Å; I322-N324 VanDerWaalsContact C-N 3.31Å; I322-N324 PolarHBondContact O-N 3.42Å; I322-Q325 PolarHBondContact O-N 3.41Å; I322-W326 VanDerWaalsContact CG2-CD1 3.49Å; I322-W326 PolarHBondContact O-N 3.47Å |
| 323 | D | 39.9 | Very low | 39.8 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 57% | 0.572 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.3 | -36.9 | -179.3 | -150.2 | 32 | 0 | 0 | 0 | 112.5 | L319 N327 | L319-D323 WeakPolarHBondContact O-CB 3.24Å; L319-D323 PolarHBondContact O-N 3.1Å; D323-N327 PolarHBondContact O-ND2 2.8Å |
| 324 | N | 42.9 | Very low | 39 | Very low | 95 Ų | 95 | 110.9 Ų | 110.9 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74 | -28.5 | 173.6 | -69.7 | -28.2 | 0 | 0 | 0 | 113.2 | S320 Y321 I322 N327 | S320-N324 VanDerWaalsContact O-CB 3.3Å; S320-N324 WeakPolarHBondContact O-CB 3.49Å; S320-N324 PolarHBondContact O-N 2.92Å; S320-N324 PolarHBondContact O-ND2 3.22Å; Y321-N324 PolarHBondContact O-N 3.19Å; I322-N324 VanDerWaalsContact C-N 3.31Å; I322-N324 PolarHBondContact O-N 3.42Å; N324-N327 PolarHBondContact O-N 3.09Å |
| 325 | Q | 37.8 | Very low | 38 | Very low | 94 Ų | 94 | 109.9 Ų | 109.9 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -78.5 | -27.4 | 178.2 | -162.3 | 174.4 | 5.8 | 0 | 0 | 112.2 | Y321 I322 N327 | Y321-Q325 VanDerWaalsContact O-CB 3.28Å; Y321-Q325 WeakPolarHBondContact O-CB 3.28Å; Y321-Q325 PolarHBondContact O-N 3Å; I322-Q325 PolarHBondContact O-N 3.41Å; Q325-N327 PolarHBondContact O-N 3.25Å |
| 326 | W | 36.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 110.6 Ų | 110.6 | 63% | 0.629 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -13.9 | 171.4 | -77.3 | 99.9 | 0 | 0 | 0 | 113.7 | I322 V331 | I322-W326 VanDerWaalsContact CG2-CD1 3.49Å; I322-W326 PolarHBondContact O-N 3.47Å; W326-V331 HydrophobicContact CE3-CG2 4.26Å; W326-V331 HydrophobicContact CZ3-CB 4.3Å; W326-V331 HydrophobicContact CZ3-CG1 4.18Å; W326-V331 HydrophobicContact CZ3-CG2 4Å |
| 327 | N | 38.5 | Very low | 36.9 | Very low | 130 Ų | 130 | 109.8 Ų | 109.8 | 70% | 0.695 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -8.7 | 177.5 | -72.5 | -26.1 | 0 | 0 | 0 | 114.1 | D323 N324 Q325 | D323-N327 PolarHBondContact O-ND2 2.8Å; N324-N327 PolarHBondContact O-N 3.09Å; Q325-N327 PolarHBondContact O-N 3.25Å |
| 328 | E | 37.5 | Very low | 36.5 | Very low | 178 Ų | 178 | 110.1 Ų | 110.1 | 83% | 0.832 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -7.4 | -177.3 | -82.6 | -171.8 | 149 | 0 | 0 | 115.2 | ||
| 329 | E | 32.3 | Very low | 36 | Very low | 135 Ų | 135 | 115.6 Ų | 115.6 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -117.9 | 119.8 | 174.1 | -72.4 | -174.1 | 168.6 | 0 | 0 | 111.2 | V331 | E329-V331 WeakPolarHBondContact O-CG2 3.35Å; E329-V331 PolarHBondContact O-N 3.01Å |
| 330 | S | 28.8 | Very low | 35.8 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 87% | 0.874 | 63% | 0.633 | S | S | * | * | trans | -48.1 | 95.6 | 171 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 331 | V | 30.5 | Very low | 35.3 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 51% | 0.509 | 65% | 0.652 | S | S | . | * | trans | -104.9 | 99.7 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | W326 E329 | W326-V331 HydrophobicContact CE3-CG2 4.26Å; W326-V331 HydrophobicContact CZ3-CB 4.3Å; W326-V331 HydrophobicContact CZ3-CG1 4.18Å; W326-V331 HydrophobicContact CZ3-CG2 4Å; E329-V331 WeakPolarHBondContact O-CG2 3.35Å; E329-V331 PolarHBondContact O-N 3.01Å | ||
| 332 | T | 29.6 | Very low | 35.2 | Very low | 116 Ų | 116 | 124 Ų | 124 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 139.4 | 165.6 | 46.6 | 0 | 0 | 0 | 0 | 110.9 | L334 | T332-L334 PolarHBondContact O-N 3.35Š|
| 333 | P | 32.3 | Very low | 34.8 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -66 | 121 | -174.4 | 2.8 | 5.8 | 0 | 0 | 0 | 110.7 | N335 | P333-N335 PolarHBondContact O-N 3.02Š|
| 334 | L | 32.3 | Very low | 34.3 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 66% | 0.66 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 120.2 | 168 | -95.8 | 113.4 | 0 | 0 | 0 | 109.5 | T332 T338 | T332-L334 PolarHBondContact O-N 3.35Å; L334-T338 HydrophobicContact CD2-CG2 4.08Å |
| 335 | N | 31 | Very low | 33.9 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 147 | -180 | -71.8 | -14.1 | 0 | 0 | 0 | 113.7 | P333 A337 T338 | P333-N335 PolarHBondContact O-N 3.02Å; N335-A337 PolarHBondContact O-N 2.88Å; N335-T338 PolarHBondContact O-N 2.95Å |
| 336 | S | 36.3 | Very low | 33.5 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -16.8 | -176.3 | 58.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 337 | A | 40.1 | Very low | 33.1 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -25.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N335 | N335-A337 PolarHBondContact O-N 2.88Š|
| 338 | T | 38.9 | Very low | 32.6 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 42% | 0.423 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | -24.9 | -176 | -36.9 | 0 | 0 | 0 | 0 | 112.6 | L334 N335 K340 K341 | L334-T338 HydrophobicContact CD2-CG2 4.08Å; N335-T338 PolarHBondContact O-N 2.95Å; T338-K340 PolarHBondContact O-N 2.91Å; T338-K341 PolarHBondContact O-N 3.11Å; T338-K341 VanDerWaalsContact O-N 3.09Å |
| 339 | R | 32.2 | Very low | 32.1 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 70% | 0.698 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -59 | -29.2 | 175 | -91.8 | -173.8 | -169.8 | -172.1 | 2.6 | 113.1 | K341 | R339-K341 VanDerWaalsContact C-N 3.31Å; R339-K341 PolarHBondContact O-N 3.07Å |
| 340 | K | 34.1 | Very low | 32.1 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | H | α-helix | trans | -74.2 | -15.1 | 177.9 | -82.3 | -176 | 174.6 | 179.3 | 0 | 114.6 | T338 | T338-K340 PolarHBondContact O-N 2.91Å |
| 341 | K | 32.1 | Very low | 32.2 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -94.2 | -16.3 | -175.5 | -145.4 | 174.4 | -174.9 | -179.4 | 0 | 113.8 | T338 R339 | T338-K341 PolarHBondContact O-N 3.11Å; T338-K341 VanDerWaalsContact O-N 3.09Å; R339-K341 VanDerWaalsContact C-N 3.31Å; R339-K341 PolarHBondContact O-N 3.07Å |
| 342 | V | 34.5 | Very low | 32.3 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | H | α-helix | trans | -98.6 | -24.9 | -175.8 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 343 | F | 33.6 | Very low | 32.5 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 82% | 0.82 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -102.2 | 8.1 | -179.8 | -82.6 | -87 | 0 | 0 | 0 | 114.4 | ||
| 344 | G | 29.7 | Very low | 32.5 | Very low | 61 Ų | 61 | 152 Ų | 152 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -94 | 10 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 345 | T | 33.1 | Very low | 32.5 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -126.7 | 16.6 | -168.3 | 32.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 346 | F | 30.4 | Very low | 32.6 | Very low | 209 Ų | 209 | 155.3 Ų | 155.3 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -125.6 | 25.3 | -176.2 | -117.3 | -88.7 | 0 | 0 | 0 | 115.4 | ||
| 347 | Q | 28.3 | Very low | 32.3 | Very low | 192 Ų | 192 | 158.8 Ų | 158.8 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -129.7 | 76.9 | 175.2 | -111.7 | -171.8 | -51.3 | 0 | 0 | 109.9 | ||||
| 348 | E | 27.4 | Very low | 31.7 | Very low | 193 Ų | 193 | 164.7 Ų | 164.7 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | 178.2 | 103.6 | 157.4 | -106.3 | 172.2 | 172.9 | 0 | 0 | 108.6 | ||||
| 349 | E | 26.5 | Very low | 31.1 | Very low | 192 Ų | 192 | 172.7 Ų | 172.7 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | trans | 144.5 | 83.3 | 161 | -85.7 | -172.5 | 162.2 | 0 | 0 | 109.7 | ||||
| 350 | L | 31.6 | Very low | 31 | Very low | 253 Ų | 253 | 171.5 Ų | 171.5 | 100% | 1.325 | 86% | 0.855 | S | S | * | * | trans | 172.6 | 0 | 142.5 | -93.6 | 163.5 | 0 | 0 | 0 | 111.2 |
Retrieved 350 of 350 residues in 207.4 ms
(Link to these results)