| 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 | 63.5 | Low | 73.6 | Confident | 238 Ų | 238 | 164.5 Ų | 164.5 | 100% | 1.172 | 85% | 0.854 | S | S | * | * | 0 | 87.1 | 0 | -73.7 | -68.8 | 168.5 | 0 | 0 | 105.5 | S3 | M1-S3 PolarHBondContact O-N 3.22Š| |||
| 2 | D | 58.6 | Low | 74.8 | Confident | 159 Ų | 159 | 166.3 Ų | 166.3 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | trans | -80.4 | 112.6 | -179.1 | -70.6 | -31.1 | 0 | 0 | 0 | 108.6 | T4 | D2-T4 PolarHBondContact O-N 3.31Š| ||
| 3 | S | 63.1 | Low | 75.6 | Confident | 107 Ų | 107 | 161.1 Ų | 161.1 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | -79.5 | 107.9 | 176.2 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | M1 E5 | M1-S3 PolarHBondContact O-N 3.22Å; S3-E5 PolarHBondContact O-N 3.37Å | ||
| 4 | T | 69.2 | Low | 76.4 | Confident | 135 Ų | 135 | 156.1 Ų | 156.1 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | -87.7 | 44.1 | 178.4 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | D2 S6 | D2-T4 PolarHBondContact O-N 3.31Å; T4-S6 PolarHBondContact O-N 2.97Å | ||
| 5 | E | 71.3 | Confident | 76.9 | Confident | 179 Ų | 179 | 157.5 Ų | 157.5 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -79 | 89.4 | 179.5 | -148.5 | 173.1 | -161.1 | 0 | 0 | 110.2 | S3 K7 | S3-E5 PolarHBondContact O-N 3.37Å; E5-K7 PolarHBondContact O-N 3.05Å | ||
| 6 | S | 73 | Confident | 77.2 | Confident | 108 Ų | 108 | 157.6 Ų | 157.6 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -70.7 | 112.9 | 174.7 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | T4 L8 | T4-S6 PolarHBondContact O-N 2.97Å; S6-L8 PolarHBondContact O-N 3.42Å | ||
| 7 | K | 80.4 | Confident | 77.3 | Confident | 198 Ų | 198 | 156.9 Ų | 156.9 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -68.9 | 115.8 | 174.9 | -174.4 | 175.4 | -177.6 | 177.2 | 0 | 110.1 | E5 M9 | E5-K7 PolarHBondContact O-N 3.05Å; K7-M9 PolarHBondContact O-N 3.06Å | ||
| 8 | L | 79.5 | Confident | 76.8 | Confident | 158 Ų | 158 | 157.3 Ų | 157.3 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 123.4 | 175.5 | -68.3 | 168.1 | 0 | 0 | 0 | 111.2 | S6 | S6-L8 PolarHBondContact O-N 3.42Š|
| 9 | M | 83 | Confident | 76.1 | Confident | 179 Ų | 179 | 158.4 Ų | 158.4 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 129.6 | 174.3 | -162 | 174.8 | -150.5 | 0 | 0 | 110 | K7 | K7-M9 PolarHBondContact O-N 3.06Š|
| 10 | K | 85.3 | Confident | 75.2 | Confident | 201 Ų | 201 | 159.7 Ų | 159.7 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 120.7 | 174.4 | -65.4 | -176.4 | -179.2 | -179 | 0 | 109.2 | ||
| 11 | I | 82.7 | Confident | 74.3 | Confident | 148 Ų | 148 | 160.3 Ų | 160.3 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 131.4 | 174.8 | -59.2 | 172.7 | 0 | 0 | 0 | 108.2 | V13 | I11-V13 HydrophobicContact CG2-CG2 4.42Š|
| 12 | K | 88.2 | Confident | 73.9 | Confident | 186 Ų | 186 | 160.2 Ų | 160.2 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 118.9 | 173.3 | -173.2 | -179.9 | 180 | -176 | 0 | 108.5 | V14 | K12-V14 HydrophobicContact CG-CG2 4.37Š|
| 13 | V | 85.6 | Confident | 73.9 | Confident | 98 Ų | 98 | 161 Ų | 161 | 59% | 0.594 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 129 | 172 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | I11 F15 | I11-V13 HydrophobicContact CG2-CG2 4.42Å; V13-F15 HydrophobicContact CG1-CD2 4.3Å; V13-F15 HydrophobicContact CG1-CE1 4.3Å; V13-F15 HydrophobicContact CG1-CE2 3.79Å; V13-F15 HydrophobicContact CG1-CZ 3.79Å |
| 14 | V | 86.6 | Confident | 73.4 | Confident | 92 Ų | 92 | 164.4 Ų | 164.4 | 56% | 0.558 | 80% | 0.799 | S | S | * | * | trans | -116.4 | 122.6 | 172.9 | -178 | 0 | 0 | 0 | 0 | 106.5 | K12 | K12-V14 HydrophobicContact CG-CG2 4.37Š| ||
| 15 | F | 83.1 | Confident | 72.5 | Confident | 176 Ų | 176 | 166.2 Ų | 166.2 | 77% | 0.772 | 80% | 0.798 | S | S | * | * | trans | -88.4 | 140.2 | 172.6 | -63.9 | -85.5 | 0 | 0 | 0 | 108.8 | V13 | V13-F15 HydrophobicContact CG1-CD2 4.3Å; V13-F15 HydrophobicContact CG1-CE1 4.3Å; V13-F15 HydrophobicContact CG1-CE2 3.79Å; V13-F15 HydrophobicContact CG1-CZ 3.79Å | ||
| 16 | H | 81.7 | Confident | 71.8 | Confident | 159 Ų | 159 | 163.5 Ų | 163.5 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -113 | 128.2 | 169.1 | -66.3 | -13.1 | 0 | 0 | 0 | 107 | L18 | H16-L18 PolarHBondContact O-N 3.27Š| ||
| 17 | D | 79 | Confident | 71 | Confident | 146 Ų | 146 | 163.3 Ų | 163.3 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -69 | 125.9 | 176.8 | -66.7 | -32.3 | 0 | 0 | 0 | 108.5 | E19 | D17-E19 PolarHBondContact O-N 3.28Š| ||
| 18 | L | 68 | Low | 69.7 | Low | 164 Ų | 164 | 161.3 Ų | 161.3 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -71.9 | 6.4 | -175.9 | -73.7 | 167 | 0 | 0 | 0 | 113.8 | H16 Q20 | H16-L18 PolarHBondContact O-N 3.27Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.23Å |
| 19 | E | 64.8 | Low | 68.4 | Low | 178 Ų | 178 | 161.6 Ų | 161.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -82.2 | -1.5 | -173.5 | -60.9 | -165.2 | 165.2 | 0 | 0 | 113.8 | D17 | D17-E19 PolarHBondContact O-N 3.28Š|
| 20 | Q | 56.7 | Low | 67.2 | Low | 185 Ų | 185 | 156.3 Ų | 156.3 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -89.3 | -5.4 | -178 | -107.2 | -179.8 | 2.2 | 0 | 0 | 116.4 | L18 | L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.23Å |
| 21 | E | 57 | Low | 66 | Low | 173 Ų | 173 | 153.8 Ų | 153.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -96.8 | 8.7 | 179.8 | -81.2 | -172.8 | 164.4 | 0 | 0 | 114.8 | ||
| 22 | R | 55.9 | Low | 64.8 | Low | 236 Ų | 236 | 153.5 Ų | 153.5 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -92.5 | 1.7 | 179.6 | -75.4 | -167.7 | 172.1 | -165.3 | -1.8 | 115.8 | ||
| 23 | E | 56.9 | Low | 63.4 | Low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -117.9 | 82.2 | 176 | -76.6 | 178.2 | 164 | 0 | 0 | 110.2 | ||
| 24 | Q | 52.8 | Low | 62.1 | Low | 180 Ų | 180 | 153.9 Ų | 153.9 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | 155.6 | 58.8 | 153.6 | -84.3 | 163.1 | 35.6 | 0 | 0 | 112 | ||||
| 25 | H | 51.3 | Low | 60.9 | Low | 172 Ų | 172 | 157.6 Ų | 157.6 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -127.2 | 82.8 | 149.5 | -70.9 | -55.5 | 0 | 0 | 0 | 107 | V27 | H25-V27 PolarHBondContact O-N 3.45Š| ||
| 26 | S | 55.6 | Low | 59.9 | Low | 123 Ų | 123 | 154.3 Ų | 154.3 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -64.4 | 93.5 | 155.3 | 51.5 | 0 | 0 | 0 | 0 | 105.7 | D28 | S26-D28 PolarHBondContact O-N 3.49Š| ||
| 27 | V | 56.1 | Low | 59.1 | Low | 104 Ų | 104 | 152.9 Ų | 152.9 | 63% | 0.63 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 121.5 | 169.1 | -170.1 | 0 | 0 | 0 | 0 | 105.3 | H25 D29 | H25-V27 PolarHBondContact O-N 3.45Å; V27-D29 PolarHBondContact O-N 3.25Å |
| 28 | D | 53.4 | Low | 58.6 | Low | 156 Ų | 156 | 151.1 Ų | 151.1 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 118.6 | 174 | -162.2 | 13.3 | 0 | 0 | 0 | 108.7 | S26 | S26-D28 PolarHBondContact O-N 3.49Š|
| 29 | D | 52.7 | Low | 58.9 | Low | 163 Ų | 163 | 146.4 Ų | 146.4 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -57.8 | 132.8 | -177.7 | -83.9 | -44.8 | 0 | 0 | 0 | 111.2 | V27 | V27-D29 PolarHBondContact O-N 3.25Š|
| 30 | G | 57.7 | Low | 59.4 | Low | 68 Ų | 68 | 143.1 Ų | 143.1 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 172.6 | -29.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 31 | E | 59.8 | Low | 60.3 | Low | 149 Ų | 149 | 137.7 Ų | 137.7 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -125.1 | 0.7 | -165.6 | -52 | -75.1 | 164.1 | 0 | 0 | 114 | Y35 | E31-Y35 WeakPolarHBondContact O-CD2 3.38Š|
| 32 | E | 58.3 | Low | 61.1 | Low | 141 Ų | 141 | 134.6 Ų | 134.6 | 66% | 0.659 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -77.9 | -25.7 | -175.3 | -76.2 | -165.8 | 159.8 | 0 | 0 | 114.2 | E34 Y35 M36 | E32-E34 PolarHBondContact O-N 3.23Å; E32-Y35 PolarHBondContact O-N 3.35Å; E32-M36 WeakPolarHBondContact O-CG 3.43Å |
| 33 | D | 58.1 | Low | 61.9 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.2 | -33 | -173.9 | -78.6 | -20.5 | 0 | 0 | 0 | 113.5 | Y35 M36 | D33-Y35 VanDerWaalsContact C-N 3.25Å; D33-Y35 PolarHBondContact O-N 2.86Å; D33-M36 PolarHBondContact O-N 3.12Å |
| 34 | E | 58.6 | Low | 62.7 | Low | 154 Ų | 154 | 126.8 Ų | 126.8 | 72% | 0.72 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.8 | -21.4 | -179.8 | -74.8 | -166.4 | 168.1 | 0 | 0 | 113.5 | E32 N38 | E32-E34 PolarHBondContact O-N 3.23Å; E34-N38 PolarHBondContact O-ND2 3.49Å |
| 35 | Y | 61 | Low | 63.6 | Low | 170 Ų | 170 | 120.9 Ų | 120.9 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -86.8 | -23.2 | 175.8 | -68.9 | -77.8 | 0 | 0 | 0 | 112.9 | E31 E32 D33 N38 I39 | E31-Y35 WeakPolarHBondContact O-CD2 3.38Å; E32-Y35 PolarHBondContact O-N 3.35Å; D33-Y35 VanDerWaalsContact C-N 3.25Å; D33-Y35 PolarHBondContact O-N 2.86Å; Y35-N38 PolarHBondContact O-N 3.47Å; Y35-I39 WeakPolarHBondContact O-CG1 3.5Å |
| 36 | M | 63.6 | Low | 64.5 | Low | 108 Ų | 108 | 118.1 Ų | 118.1 | 53% | 0.532 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74.7 | -34 | -177.5 | -68 | -63.7 | -78.8 | 0 | 0 | 112.6 | E32 D33 N38 I39 | E32-M36 WeakPolarHBondContact O-CG 3.43Å; D33-M36 PolarHBondContact O-N 3.12Å; M36-N38 PolarHBondContact O-N 3.45Å; M36-I39 PolarHBondContact O-N 3.09Å; M36-I39 HydrophobicContact SD-CD1 3.74Å |
| 37 | D | 64.8 | Low | 65 | Low | 128 Ų | 128 | 118.7 Ų | 118.7 | 68% | 0.684 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -26.6 | 175.7 | -81.6 | -11.2 | 0 | 0 | 0 | 112.9 | I39 P41 | D37-I39 VanDerWaalsContact C-N 3.31Å; D37-I39 PolarHBondContact O-N 3.43Å; D37-P41 WeakPolarHBondContact O-CD 3.27Å |
| 38 | N | 68.1 | Low | 65.5 | Low | 110 Ų | 110 | 122.7 Ų | 122.7 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -12.8 | 176.4 | -72.2 | -49 | 0 | 0 | 0 | 113.5 | E34 Y35 M36 | E34-N38 PolarHBondContact O-ND2 3.49Å; Y35-N38 PolarHBondContact O-N 3.47Å; M36-N38 PolarHBondContact O-N 3.45Å |
| 39 | I | 74 | Confident | 66 | Low | 65 Ų | 65 | 122 Ų | 122 | 33% | 0.333 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -87.9 | -31.2 | -177.5 | -63.1 | 170 | 0 | 0 | 0 | 111.7 | Y35 M36 D37 L42 R43 | Y35-I39 WeakPolarHBondContact O-CG1 3.5Å; M36-I39 PolarHBondContact O-N 3.09Å; M36-I39 HydrophobicContact SD-CD1 3.74Å; D37-I39 VanDerWaalsContact C-N 3.31Å; D37-I39 PolarHBondContact O-N 3.43Å; I39-L42 WeakPolarHBondContact O-CB 3.33Å; I39-L42 PolarHBondContact O-N 3.18Å; I39-L42 VanDerWaalsContact O-N 3.12Å; I39-R43 HydrophobicContact CG2-CG 3.98Å; I39-R43 WeakPolarHBondContact O-CG 3.42Å; I39-R43 PolarHBondContact O-N 3.01Å |
| 40 | E | 75.2 | Confident | 66.7 | Low | 108 Ų | 108 | 118.1 Ų | 118.1 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -53.4 | -50.1 | 177.8 | -88.5 | -85.7 | 147.2 | 0 | 0 | 112.8 | L42 R43 Q44 | E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.5Å; E40-R43 PolarHBondContact O-N 3.01Å; E40-Q44 WeakPolarHBondContact O-CG 3.28Å; E40-Q44 PolarHBondContact O-N 3.35Å |
| 41 | P | 75.7 | Confident | 67.3 | Low | 72 Ų | 72 | 121.4 Ų | 121.4 | 47% | 0.468 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.1 | -35.7 | 175.8 | -23.5 | 33.9 | 0 | 0 | 0 | 113.7 | D37 T45 | D37-P41 WeakPolarHBondContact O-CD 3.27Å; P41-T45 WeakPolarHBondContact O-CB 3.45Å; P41-T45 PolarHBondContact O-N 3.11Å; P41-T45 PolarHBondContact O-OG1 3.11Å |
| 42 | L | 74 | Confident | 68.1 | Low | 108 Ų | 108 | 116 Ų | 116 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.8 | -43.7 | 176.4 | -76.4 | 162.7 | 0 | 0 | 0 | 110.8 | I39 E40 Q44 T45 I46 | I39-L42 WeakPolarHBondContact O-CB 3.33Å; I39-L42 PolarHBondContact O-N 3.18Å; I39-L42 VanDerWaalsContact O-N 3.12Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.5Å; L42-Q44 PolarHBondContact O-N 3.33Å; L42-T45 PolarHBondContact O-N 3.21Å; L42-I46 VanDerWaalsContact O-CG1 3.28Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 3.35Å |
| 43 | R | 73 | Confident | 69.2 | Low | 153 Ų | 153 | 111.9 Ų | 111.9 | 58% | 0.577 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.3 | -44.9 | 175.4 | -76.8 | 179.9 | 160.9 | -174.2 | -3.2 | 112 | I39 E40 T45 I46 Q47 | I39-R43 HydrophobicContact CG2-CG 3.98Å; I39-R43 WeakPolarHBondContact O-CG 3.42Å; I39-R43 PolarHBondContact O-N 3.01Å; E40-R43 PolarHBondContact O-N 3.01Å; R43-T45 VanDerWaalsContact C-N 3.31Å; R43-T45 PolarHBondContact O-N 3.45Å; R43-I46 PolarHBondContact O-N 3.35Å; R43-Q47 PolarHBondContact O-N 2.8Å; R43-Q47 VanDerWaalsContact O-N 3.11Å |
| 44 | Q | 72.4 | Confident | 70.4 | Confident | 92 Ų | 92 | 111.7 Ų | 111.7 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 175.1 | -69.5 | -176.4 | 18.2 | 0 | 0 | 112.1 | E40 L42 Q47 R48 | E40-Q44 WeakPolarHBondContact O-CG 3.28Å; E40-Q44 PolarHBondContact O-N 3.35Å; L42-Q44 PolarHBondContact O-N 3.33Å; Q44-Q47 PolarHBondContact O-N 3.42Å; Q44-R48 WeakPolarHBondContact O-CG 3.23Å; Q44-R48 PolarHBondContact O-N 3.33Å; Q44-R48 VanDerWaalsContact O-N 3.1Å |
| 45 | T | 72.1 | Confident | 71.7 | Confident | 57 Ų | 57 | 108.6 Ų | 108.6 | 35% | 0.35 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 178.2 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | P41 L42 R43 R48 K49 | P41-T45 WeakPolarHBondContact O-CB 3.45Å; P41-T45 PolarHBondContact O-N 3.11Å; P41-T45 PolarHBondContact O-OG1 3.11Å; L42-T45 PolarHBondContact O-N 3.21Å; R43-T45 VanDerWaalsContact C-N 3.31Å; R43-T45 PolarHBondContact O-N 3.45Å; T45-R48 PolarHBondContact O-N 3.39Å; T45-K49 HydrophobicContact CG2-CD 3.94Å; T45-K49 HydrophobicContact CG2-CG 4.4Å; T45-K49 WeakPolarHBondContact O-CB 3.43Å; T45-K49 WeakPolarHBondContact O-CG 3.46Å; T45-K49 PolarHBondContact O-N 3.46Å |
| 46 | I | 71.2 | Confident | 72.8 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 177.1 | -69.4 | 163.6 | 0 | 0 | 0 | 110.1 | L42 R43 R48 K49 S50 | L42-I46 VanDerWaalsContact O-CG1 3.28Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 3.35Å; R43-I46 PolarHBondContact O-N 3.35Å; I46-R48 PolarHBondContact O-N 3.1Å; I46-K49 PolarHBondContact O-N 3.5Å; I46-S50 VanDerWaalsContact O-CB 3.23Å; I46-S50 WeakPolarHBondContact O-CB 3.41Å; I46-S50 PolarHBondContact O-N 3.44Å; I46-S50 PolarHBondContact O-OG 2.9Å |
| 47 | Q | 66.2 | Low | 73.6 | Confident | 136 Ų | 136 | 101.7 Ų | 101.7 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -44.8 | 177.5 | -71.4 | -177 | 3.9 | 0 | 0 | 112 | R43 Q44 K49 S50 N51 | R43-Q47 PolarHBondContact O-N 2.8Å; R43-Q47 VanDerWaalsContact O-N 3.11Å; Q44-Q47 PolarHBondContact O-N 3.42Å; Q47-K49 PolarHBondContact O-N 2.82Å; Q47-S50 PolarHBondContact O-N 3.27Å; Q47-S50 PolarHBondContact O-OG 2.97Å; Q47-N51 PolarHBondContact O-ND2 3.32Å |
| 48 | R | 64.7 | Low | 74.5 | Confident | 187 Ų | 187 | 100.8 Ų | 100.8 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 177.7 | -72.8 | -178.9 | -175.4 | 150.9 | 5.5 | 113 | Q44 T45 I46 | Q44-R48 WeakPolarHBondContact O-CG 3.23Å; Q44-R48 PolarHBondContact O-N 3.33Å; Q44-R48 VanDerWaalsContact O-N 3.1Å; T45-R48 PolarHBondContact O-N 3.39Å; I46-R48 PolarHBondContact O-N 3.1Å |
| 49 | K | 65.5 | Low | 75.2 | Confident | 142 Ų | 142 | 102 Ų | 102 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -80.2 | -26.1 | -179.9 | -69.1 | -178.7 | -179.5 | 177.9 | 0 | 113.3 | T45 I46 Q47 N51 E52 | T45-K49 HydrophobicContact CG2-CD 3.94Å; T45-K49 HydrophobicContact CG2-CG 4.4Å; T45-K49 WeakPolarHBondContact O-CB 3.43Å; T45-K49 WeakPolarHBondContact O-CG 3.46Å; T45-K49 PolarHBondContact O-N 3.46Å; I46-K49 PolarHBondContact O-N 3.5Å; Q47-K49 PolarHBondContact O-N 2.82Å; K49-N51 PolarHBondContact O-N 2.83Å; K49-E52 VanDerWaalsContact O-CB 3.29Å; K49-E52 WeakPolarHBondContact O-CB 3.43Å; K49-E52 PolarHBondContact O-N 2.96Å; K49-E52 VanDerWaalsContact O-N 3.09Å |
| 50 | S | 66.4 | Low | 75.5 | Confident | 82 Ų | 82 | 105.8 Ų | 105.8 | 57% | 0.573 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.4 | -21.3 | 178.7 | 67.5 | 0 | 0 | 0 | 0 | 113.8 | I46 Q47 E52 | I46-S50 VanDerWaalsContact O-CB 3.23Å; I46-S50 WeakPolarHBondContact O-CB 3.41Å; I46-S50 PolarHBondContact O-N 3.44Å; I46-S50 PolarHBondContact O-OG 2.9Å; Q47-S50 PolarHBondContact O-N 3.27Å; Q47-S50 PolarHBondContact O-OG 2.97Å; S50-E52 VanDerWaalsContact C-N 3.25Å; S50-E52 PolarHBondContact O-N 3.24Å |
| 51 | N | 71.1 | Confident | 75.6 | Confident | 137 Ų | 137 | 102.1 Ų | 102.1 | 73% | 0.733 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -2.6 | 175 | -65.6 | -35.3 | 0 | 0 | 0 | 113 | Q47 K49 S53 | Q47-N51 PolarHBondContact O-ND2 3.32Å; K49-N51 PolarHBondContact O-N 2.83Å; N51-S53 PolarHBondContact O-N 3.33Å |
| 52 | E | 75.6 | Confident | 75.7 | Confident | 34 Ų | 34 | 106.1 Ų | 106.1 | 16% | 0.159 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -72.1 | 116.9 | 174.2 | -169.3 | 176.2 | -174.9 | 0 | 0 | 110 | K49 S50 T56 L57 R60 | K49-E52 VanDerWaalsContact O-CB 3.29Å; K49-E52 WeakPolarHBondContact O-CB 3.43Å; K49-E52 PolarHBondContact O-N 2.96Å; K49-E52 VanDerWaalsContact O-N 3.09Å; S50-E52 VanDerWaalsContact C-N 3.25Å; S50-E52 PolarHBondContact O-N 3.24Å; E52-T56 HydrophobicContact CG-CG2 4.05Å; E52-T56 WeakPolarHBondContact OE1-CG2 3.4Å; E52-L57 HydrophobicContact CB-CG 4.45Å; E52-L57 HydrophobicContact CG-CD2 4.16Å; E52-L57 HydrophobicContact CG-CG 3.87Å; E52-L57 PolarHBondContact OE1-N 3.27Å; E52-L57 WeakPolarHBondContact OE2-CD2 3.46Å; E52-R60 VanDerWaalsContact CD-CZ 3.44Å; E52-R60 IonicContact OE1-CZ 2.91Å; E52-R60 IonicContact OE1-NE 2.88Å; E52-R60 PolarHBondContact OE1-NE 3.32Å; E52-R60 IonicContact OE1-NH1 2.92Å; E52-R60 IonicContact OE1-NH2 2.63Å; E52-R60 PolarHBondContact OE1-NH2 3.38Å; E52-R60 IonicContact OE2-CZ 3.22Å; E52-R60 VanDerWaalsContact OE2-CZ 3.22Å; E52-R60 IonicContact OE2-NE 3.97Å; E52-R60 IonicContact OE2-NH1 3.91Å; E52-R60 IonicContact OE2-NH2 2.61Å; E52-R60 PolarHBondContact OE2-NH2 3.41Å |
| 53 | S | 82.7 | Confident | 75.7 | Confident | 56 Ų | 56 | 103.6 Ų | 103.6 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | trans | -63.2 | 142.1 | 177.5 | 81.4 | 0 | 0 | 0 | 0 | 110.6 | N51 P55 T56 L57 | N51-S53 PolarHBondContact O-N 3.33Å; S53-P55 VanDerWaalsContact C-CD 3.4Å; S53-P55 WeakPolarHBondContact OG-CD 3.23Å; S53-T56 WeakPolarHBondContact O-CB 3.23Å; S53-T56 PolarHBondContact O-N 2.93Å; S53-T56 PolarHBondContact OG-N 3.49Å; S53-T56 PolarHBondContact OG-OG1 3.24Å; S53-L57 PolarHBondContact O-N 3.09Å | ||
| 54 | L | 83.3 | Confident | 75.4 | Confident | 133 Ų | 133 | 101.4 Ų | 101.4 | 70% | 0.696 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -48.3 | -41.1 | 174 | -73.1 | 172.1 | 0 | 0 | 0 | 113.1 | T56 L57 L58 | L54-T56 VanDerWaalsContact C-N 3.32Å; L54-T56 PolarHBondContact O-N 2.94Å; L54-L57 HydrophobicContact CD2-CD1 4.31Å; L54-L57 PolarHBondContact O-N 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.29Å; L54-L58 PolarHBondContact O-N 3.37Å |
| 55 | P | 85 | Confident | 75.5 | Confident | 89 Ų | 89 | 104.2 Ų | 104.2 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -55.6 | -40.7 | 172.9 | -28.6 | 35.5 | 0 | 0 | 0 | 114.5 | S53 L58 Q59 | S53-P55 VanDerWaalsContact C-CD 3.4Å; S53-P55 WeakPolarHBondContact OG-CD 3.23Å; P55-L58 PolarHBondContact O-N 3.41Å; P55-Q59 WeakPolarHBondContact O-CB 3.46Å; P55-Q59 PolarHBondContact O-N 3.19Å |
| 56 | T | 83.8 | Confident | 75.3 | Confident | 57 Ų | 57 | 102.7 Ų | 102.7 | 35% | 0.35 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 179.3 | -46.4 | 0 | 0 | 0 | 0 | 111.5 | E52 S53 L54 Q59 R60 | E52-T56 HydrophobicContact CG-CG2 4.05Å; E52-T56 WeakPolarHBondContact OE1-CG2 3.4Å; S53-T56 WeakPolarHBondContact O-CB 3.23Å; S53-T56 PolarHBondContact O-N 2.93Å; S53-T56 PolarHBondContact OG-N 3.49Å; S53-T56 PolarHBondContact OG-OG1 3.24Å; L54-T56 VanDerWaalsContact C-N 3.32Å; L54-T56 PolarHBondContact O-N 2.94Å; T56-Q59 PolarHBondContact O-N 2.86Å; T56-R60 PolarHBondContact O-N 2.88Å |
| 57 | L | 81.7 | Confident | 75.2 | Confident | 76 Ų | 76 | 103.1 Ų | 103.1 | 40% | 0.398 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 173.9 | -73 | 168.7 | 0 | 0 | 0 | 111.4 | E52 S53 L54 R60 A61 | E52-L57 HydrophobicContact CB-CG 4.45Å; E52-L57 HydrophobicContact CG-CD2 4.16Å; E52-L57 HydrophobicContact CG-CG 3.87Å; E52-L57 PolarHBondContact OE1-N 3.27Å; E52-L57 WeakPolarHBondContact OE2-CD2 3.46Å; S53-L57 PolarHBondContact O-N 3.09Å; L54-L57 HydrophobicContact CD2-CD1 4.31Å; L54-L57 PolarHBondContact O-N 3.3Å; L57-R60 PolarHBondContact O-N 3.43Å; L57-A61 WeakPolarHBondContact O-CB 3.19Å; L57-A61 PolarHBondContact O-N 3.45Å |
| 58 | L | 83.2 | Confident | 75.2 | Confident | 110 Ų | 110 | 104.4 Ų | 104.4 | 58% | 0.576 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.8 | -42.2 | 177.6 | -69.7 | 173.2 | 0 | 0 | 0 | 111.9 | L54 P55 R60 A61 Q62 | L54-L58 WeakPolarHBondContact O-CG 3.29Å; L54-L58 PolarHBondContact O-N 3.37Å; P55-L58 PolarHBondContact O-N 3.41Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.06Å; L58-A61 CarbonylContact O-C 3.53Å; L58-A61 PolarHBondContact O-N 3.19Å; L58-Q62 WeakPolarHBondContact O-CG 3.37Å; L58-Q62 PolarHBondContact O-N 2.9Å |
| 59 | Q | 83.2 | Confident | 75.2 | Confident | 135 Ų | 135 | 97 Ų | 97 | 63% | 0.631 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 176.3 | -174.2 | 176.9 | 11.1 | 0 | 0 | 111.6 | P55 T56 Q62 S63 | P55-Q59 WeakPolarHBondContact O-CB 3.46Å; P55-Q59 PolarHBondContact O-N 3.19Å; T56-Q59 PolarHBondContact O-N 2.86Å; Q59-Q62 PolarHBondContact O-N 2.61Å; Q59-S63 PolarHBondContact O-N 2.63Å; Q59-S63 VanDerWaalsContact O-N 3.12Å; Q59-S63 PolarHBondContact O-OG 3.38Å |
| 60 | R | 80.1 | Confident | 74.9 | Confident | 145 Ų | 145 | 97.6 Ų | 97.6 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 172.4 | -86.1 | -163.4 | -86.5 | 171.9 | -37.1 | 112.1 | E52 T56 L57 L58 Q62 S63 S66 | E52-R60 VanDerWaalsContact CD-CZ 3.44Å; E52-R60 IonicContact OE1-CZ 2.91Å; E52-R60 IonicContact OE1-NE 2.88Å; E52-R60 PolarHBondContact OE1-NE 3.32Å; E52-R60 IonicContact OE1-NH1 2.92Å; E52-R60 IonicContact OE1-NH2 2.63Å; E52-R60 PolarHBondContact OE1-NH2 3.38Å; E52-R60 IonicContact OE2-CZ 3.22Å; E52-R60 VanDerWaalsContact OE2-CZ 3.22Å; E52-R60 IonicContact OE2-NE 3.97Å; E52-R60 IonicContact OE2-NH1 3.91Å; E52-R60 IonicContact OE2-NH2 2.61Å; E52-R60 PolarHBondContact OE2-NH2 3.41Å; T56-R60 PolarHBondContact O-N 2.88Å; L57-R60 PolarHBondContact O-N 3.43Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.06Å; R60-Q62 PolarHBondContact O-N 3.15Å; R60-S63 WeakPolarHBondContact O-CB 3.33Å; R60-S63 PolarHBondContact O-N 3.14Å; R60-S63 VanDerWaalsContact O-N 3.08Å; R60-S66 WeakPolarHBondContact O-CB 3.34Å |
| 61 | A | 76.9 | Confident | 74.5 | Confident | 31 Ų | 31 | 95.5 Ų | 95.5 | 26% | 0.256 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -14.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L57 L58 A69 | L57-A61 WeakPolarHBondContact O-CB 3.19Å; L57-A61 PolarHBondContact O-N 3.45Å; L58-A61 CarbonylContact O-C 3.53Å; L58-A61 PolarHBondContact O-N 3.19Å; A61-A69 WeakPolarHBondContact O-CA 3.49Å |
| 62 | Q | 77.1 | Confident | 74 | Confident | 155 Ų | 155 | 97.3 Ų | 97.3 | 72% | 0.724 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -98.6 | -11.6 | 173.1 | -70.4 | 177.9 | -11.3 | 0 | 0 | 113.3 | L58 Q59 R60 | L58-Q62 WeakPolarHBondContact O-CG 3.37Å; L58-Q62 PolarHBondContact O-N 2.9Å; Q59-Q62 PolarHBondContact O-N 2.61Å; R60-Q62 PolarHBondContact O-N 3.15Å |
| 63 | S | 74.7 | Confident | 73.3 | Confident | 55 Ų | 55 | 104.5 Ų | 104.5 | 39% | 0.385 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -69.3 | 136.6 | 176.8 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | Q59 R60 D65 S66 A69 | Q59-S63 PolarHBondContact O-N 2.63Å; Q59-S63 VanDerWaalsContact O-N 3.12Å; Q59-S63 PolarHBondContact O-OG 3.38Å; R60-S63 WeakPolarHBondContact O-CB 3.33Å; R60-S63 PolarHBondContact O-N 3.14Å; R60-S63 VanDerWaalsContact O-N 3.08Å; S63-D65 PolarHBondContact O-N 3.38Å; S63-S66 WeakPolarHBondContact O-CB 3.41Å; S63-S66 PolarHBondContact O-N 3.36Å; S63-A69 VanDerWaalsContact O-CB 3.28Å; S63-A69 WeakPolarHBondContact O-CB 3.39Å |
| 64 | S | 67.7 | Low | 72.3 | Confident | 107 Ų | 107 | 110.4 Ų | 110.4 | 75% | 0.748 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -20.8 | -175.2 | 51.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 65 | D | 72.9 | Confident | 71.1 | Confident | 151 Ų | 151 | 113.9 Ų | 113.9 | 81% | 0.807 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -2.5 | -175.2 | -56 | -15.3 | 0 | 0 | 0 | 112.5 | S63 | S63-D65 PolarHBondContact O-N 3.38Š|
| 66 | S | 67.8 | Low | 69.7 | Low | 25 Ų | 25 | 115.8 Ų | 115.8 | 18% | 0.175 | 61% | 0.611 | C | S | . | * | trans | -79.7 | 135.1 | 175.9 | 178 | 0 | 0 | 0 | 0 | 111 | R60 S63 F68 A69 | R60-S66 WeakPolarHBondContact O-CB 3.34Å; S63-S66 WeakPolarHBondContact O-CB 3.41Å; S63-S66 PolarHBondContact O-N 3.36Å; S66-F68 PolarHBondContact O-N 3.27Å; S66-F68 VanDerWaalsContact O-N 3.14Å; S66-F68 PolarHBondContact OG-N 2.97Å; S66-F68 VanDerWaalsContact OG-N 3.11Å; S66-A69 WeakPolarHBondContact O-CB 3.45Å; S66-A69 PolarHBondContact O-N 2.89Å | ||
| 67 | P | 69.3 | Low | 68.4 | Low | 122 Ų | 122 | 116.3 Ų | 116.3 | 79% | 0.792 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -15.6 | 170 | 28.4 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 68 | F | 67 | Low | 67.3 | Low | 163 Ų | 163 | 118.8 Ų | 118.8 | 72% | 0.715 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 5.7 | 173.7 | -51.6 | -74 | 0 | 0 | 0 | 112.8 | S66 I70 | S66-F68 PolarHBondContact O-N 3.27Å; S66-F68 VanDerWaalsContact O-N 3.14Å; S66-F68 PolarHBondContact OG-N 2.97Å; S66-F68 VanDerWaalsContact OG-N 3.11Å; F68-I70 PolarHBondContact O-N 3.47Å |
| 69 | A | 65.1 | Low | 66.1 | Low | 31 Ų | 31 | 119.5 Ų | 119.5 | 26% | 0.256 | 63% | 0.634 | S | S | . | * | trans | -53.5 | 105.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A61 S63 S66 G71 | A61-A69 WeakPolarHBondContact O-CA 3.49Å; S63-A69 VanDerWaalsContact O-CB 3.28Å; S63-A69 WeakPolarHBondContact O-CB 3.39Å; S66-A69 WeakPolarHBondContact O-CB 3.45Å; S66-A69 PolarHBondContact O-N 2.89Å; A69-G71 PolarHBondContact O-N 2.98Å | ||
| 70 | I | 59.4 | Low | 64.9 | Low | 155 Ų | 155 | 122.1 Ų | 122.1 | 80% | 0.795 | 64% | 0.643 | S | S | * | * | trans | -72 | 70.8 | 158.8 | -52.7 | 174.2 | 0 | 0 | 0 | 104.7 | F68 N72 | F68-I70 PolarHBondContact O-N 3.47Å; I70-N72 PolarHBondContact O-N 3.41Å | ||
| 71 | G | 56.2 | Low | 63.9 | Low | 39 Ų | 39 | 121.8 Ų | 121.8 | 40% | 0.402 | 65% | 0.652 | S | S | . | * | trans | -57.3 | 135.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | A69 K73 | A69-G71 PolarHBondContact O-N 2.98Å; G71-K73 PolarHBondContact O-N 3.39Å | ||
| 72 | N | 60.8 | Low | 62.7 | Low | 174 Ų | 174 | 125.5 Ų | 125.5 | 93% | 0.93 | 67% | 0.671 | S | S | * | * | trans | -65.2 | 45.1 | 165.1 | -70.9 | -27.6 | 0 | 0 | 0 | 110.6 | I70 E74 | I70-N72 PolarHBondContact O-N 3.41Å; N72-E74 PolarHBondContact O-N 2.91Å | ||
| 73 | K | 61.5 | Low | 61.3 | Low | 185 Ų | 185 | 122.9 Ų | 122.9 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | trans | -68.1 | 116.7 | 168.7 | -63.4 | -163.5 | 179.1 | -175.7 | 0 | 104.9 | G71 | G71-K73 PolarHBondContact O-N 3.39Š| ||
| 74 | E | 61.6 | Low | 60.2 | Low | 180 Ų | 180 | 125.5 Ų | 125.5 | 84% | 0.841 | 69% | 0.688 | S | S | * | * | trans | -8.4 | 126.1 | 172.3 | -68.8 | 172.5 | 130 | 0 | 0 | 113.6 | N72 T76 | N72-E74 PolarHBondContact O-N 2.91Å; E74-T76 VanDerWaalsContact C-N 3.33Å; E74-T76 PolarHBondContact O-N 3.11Å | ||
| 75 | K | 57.8 | Low | 59.6 | Low | 207 Ų | 207 | 131 Ų | 131 | 90% | 0.9 | 69% | 0.693 | S | S | * | * | trans | -31.8 | 98 | 172.6 | -66.1 | 179.7 | -179.2 | 178 | 0 | 109.1 | S77 | K75-S77 VanDerWaalsContact C-N 3.26Å; K75-S77 PolarHBondContact O-N 3.14Å | ||
| 76 | T | 55.6 | Low | 58.9 | Low | 129 Ų | 129 | 129.3 Ų | 129.3 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | -64.2 | 103.9 | 172.3 | -23.1 | 0 | 0 | 0 | 0 | 102.2 | E74 L78 | E74-T76 VanDerWaalsContact C-N 3.33Å; E74-T76 PolarHBondContact O-N 3.11Å; T76-L78 PolarHBondContact O-N 3.39Å | ||
| 77 | S | 57.8 | Low | 58.3 | Low | 68 Ų | 68 | 134.6 Ų | 134.6 | 48% | 0.476 | 72% | 0.718 | S | S | . | * | trans | -53.3 | 119 | -169.4 | 63.7 | 0 | 0 | 0 | 0 | 107.5 | K75 N79 K80 | K75-S77 VanDerWaalsContact C-N 3.26Å; K75-S77 PolarHBondContact O-N 3.14Å; S77-N79 PolarHBondContact O-N 3.25Å; S77-K80 PolarHBondContact O-N 3.25Å | ||
| 78 | L | 58.2 | Low | 57.5 | Low | 127 Ų | 127 | 133.8 Ų | 133.8 | 67% | 0.665 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -61.5 | 0.6 | 177.7 | -68.3 | 167.6 | 0 | 0 | 0 | 111.6 | T76 K80 L81 | T76-L78 PolarHBondContact O-N 3.39Å; L78-K80 PolarHBondContact O-N 2.86Å; L78-K80 VanDerWaalsContact O-N 3.15Å; L78-L81 HydrophobicContact CD2-CD1 3.57Å; L78-L81 WeakPolarHBondContact O-CB 3.14Å; L78-L81 PolarHBondContact O-N 3.14Å |
| 79 | N | 57.7 | Low | 57 | Low | 125 Ų | 125 | 138.1 Ų | 138.1 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -62.5 | -12.2 | 174.9 | -58.4 | -6.7 | 0 | 0 | 0 | 113.4 | S77 T82 | S77-N79 PolarHBondContact O-N 3.25Å; N79-T82 PolarHBondContact O-OG1 3.49Å |
| 80 | K | 58.6 | Low | 56.5 | Low | 191 Ų | 191 | 139.2 Ų | 139.2 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -90.6 | -6.6 | 168.9 | -63.8 | -150.7 | -179 | -169 | 0 | 114.4 | S77 L78 | S77-K80 PolarHBondContact O-N 3.25Å; L78-K80 PolarHBondContact O-N 2.86Å; L78-K80 VanDerWaalsContact O-N 3.15Å |
| 81 | L | 57.9 | Low | 56.5 | Low | 138 Ų | 138 | 139.8 Ų | 139.8 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -92.2 | -6.8 | 176.1 | -61.5 | -178.8 | 0 | 0 | 0 | 113.3 | L78 S83 | L78-L81 HydrophobicContact CD2-CD1 3.57Å; L78-L81 WeakPolarHBondContact O-CB 3.14Å; L78-L81 PolarHBondContact O-N 3.14Å; L81-S83 PolarHBondContact O-N 3.19Å |
| 82 | T | 51.6 | Low | 56.6 | Low | 108 Ų | 108 | 142.8 Ų | 142.8 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | trans | -81.9 | 53.8 | 169.8 | 62.3 | 0 | 0 | 0 | 0 | 110.2 | N79 S84 | N79-T82 PolarHBondContact O-OG1 3.49Å; T82-S84 VanDerWaalsContact C-N 3.31Å; T82-S84 PolarHBondContact O-N 3.22Å; T82-S84 VanDerWaalsContact O-N 3.08Å | ||
| 83 | S | 48 | Very low | 56.7 | Low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | -73.3 | 97.9 | 160 | -175.3 | 0 | 0 | 0 | 0 | 106.1 | L81 R85 | L81-S83 PolarHBondContact O-N 3.19Å; S83-R85 PolarHBondContact O-N 2.69Å | ||
| 84 | S | 51.9 | Low | 57.1 | Low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | -63.2 | 82 | 174.1 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | T82 S86 | T82-S84 VanDerWaalsContact C-N 3.31Å; T82-S84 PolarHBondContact O-N 3.22Å; T82-S84 VanDerWaalsContact O-N 3.08Å; S84-S86 VanDerWaalsContact C-N 3.26Å; S84-S86 PolarHBondContact O-N 2.9Å | ||
| 85 | R | 55.4 | Low | 57.4 | Low | 224 Ų | 224 | 138.9 Ų | 138.9 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -64.7 | 99.5 | 151.5 | -85.4 | -172.9 | 174.2 | -154.1 | -1.2 | 105.5 | S83 L87 | S83-R85 PolarHBondContact O-N 2.69Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.18Å | ||
| 86 | S | 57.5 | Low | 57.9 | Low | 115 Ų | 115 | 133.7 Ų | 133.7 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -48.5 | 101.7 | 163.8 | 28 | 0 | 0 | 0 | 0 | 107.9 | S84 S88 | S84-S86 VanDerWaalsContact C-N 3.26Å; S84-S86 PolarHBondContact O-N 2.9Å; S86-S88 PolarHBondContact O-N 3.12Å | ||
| 87 | L | 54.8 | Low | 58.6 | Low | 135 Ų | 135 | 131.5 Ų | 131.5 | 71% | 0.707 | 71% | 0.705 | S | S | * | * | trans | -65 | 90.4 | 170.9 | -70.4 | 165 | 0 | 0 | 0 | 106.5 | R85 R89 V92 | R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.18Å; L87-R89 PolarHBondContact O-N 3Å; L87-V92 HydrophobicContact CD2-CB 4.04Å; L87-V92 HydrophobicContact CD2-CG1 4.02Å; L87-V92 HydrophobicContact CD2-CG2 3.66Å | ||
| 88 | S | 53.5 | Low | 59.1 | Low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | -51.6 | 126.5 | 160.6 | -179.4 | 0 | 0 | 0 | 0 | 106.9 | S86 G90 | S86-S88 PolarHBondContact O-N 3.12Å; S88-G90 VanDerWaalsContact C-N 3.31Å; S88-G90 PolarHBondContact O-N 3.18Å | ||
| 89 | R | 56.1 | Low | 60 | Low | 254 Ų | 254 | 127.4 Ų | 127.4 | 96% | 0.958 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -59.3 | 88.4 | -177 | -72.7 | 174.5 | 166.8 | 173.4 | -4.9 | 110 | L87 | L87-R89 PolarHBondContact O-N 3Š|
| 90 | G | 54.7 | Low | 60.9 | Low | 54 Ų | 54 | 127.6 Ų | 127.6 | 56% | 0.557 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -170.4 | 104.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | S88 V92 | S88-G90 VanDerWaalsContact C-N 3.31Å; S88-G90 PolarHBondContact O-N 3.18Å; G90-V92 WeakPolarHBondContact O-CG2 3.46Å; G90-V92 PolarHBondContact O-N 3.01Å |
| 91 | N | 58.8 | Low | 62 | Low | 167 Ų | 167 | 123.8 Ų | 123.8 | 89% | 0.893 | 67% | 0.668 | S | S | * | * | trans | 16.3 | 72.2 | 168.9 | -81.9 | 13.2 | 0 | 0 | 0 | 116 | R93 | N91-R93 PolarHBondContact O-N 2.96Š| ||
| 92 | V | 58.5 | Low | 63 | Low | 102 Ų | 102 | 121 Ų | 121 | 62% | 0.618 | 65% | 0.653 | S | S | * | * | trans | -80.5 | 91.5 | 172.3 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | L87 G90 | L87-V92 HydrophobicContact CD2-CB 4.04Å; L87-V92 HydrophobicContact CD2-CG1 4.02Å; L87-V92 HydrophobicContact CD2-CG2 3.66Å; G90-V92 WeakPolarHBondContact O-CG2 3.46Å; G90-V92 PolarHBondContact O-N 3.01Å | ||
| 93 | R | 63.4 | Low | 64 | Low | 146 Ų | 146 | 121.3 Ų | 121.3 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | trans | -55.4 | 143.5 | 165.3 | -90.4 | -176.9 | 162.7 | 117.3 | -2.5 | 109.2 | N91 E97 | N91-R93 PolarHBondContact O-N 2.96Å; R93-E97 HydrophobicContact CB-CB 4.45Å | ||
| 94 | R | 70.7 | Confident | 65.4 | Low | 165 Ų | 165 | 123 Ų | 123 | 62% | 0.623 | 65% | 0.646 | S | S | * | * | trans | -59.3 | 146.6 | 173.6 | -67 | -170.7 | 172.5 | 90.5 | -1 | 109.1 | S96 E97 | R94-S96 PolarHBondContact O-N 3.19Å; R94-E97 HydrophobicContact CB-CB 4.27Å; R94-E97 HydrophobicContact CB-CG 4Å; R94-E97 WeakPolarHBondContact CD-OE1 3.31Å; R94-E97 IonicContact CZ-OE1 3.69Å; R94-E97 IonicContact NH1-OE1 3.94Å; R94-E97 PolarHBondContact NH1-OE1 3.08Å; R94-E97 PolarHBondContact O-N 2.9Å | ||
| 95 | P | 67.1 | Low | 66.8 | Low | 145 Ų | 145 | 122 Ų | 122 | 94% | 0.942 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -21.4 | 174.3 | -26 | 34 | 0 | 0 | 0 | 114.2 | ||
| 96 | S | 68.3 | Low | 67.8 | Low | 99 Ų | 99 | 116.8 Ų | 116.8 | 69% | 0.692 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -5.3 | 176.6 | 59.5 | 0 | 0 | 0 | 0 | 114.7 | R94 | R94-S96 PolarHBondContact O-N 3.19Š|
| 97 | E | 70.1 | Confident | 68.7 | Low | 83 Ų | 83 | 116 Ų | 116 | 39% | 0.388 | 62% | 0.618 | S | S | . | * | trans | -101.6 | 88.9 | -179.6 | -76.1 | 169.6 | -159 | 0 | 0 | 109.2 | R93 R94 | R93-E97 HydrophobicContact CB-CB 4.45Å; R94-E97 HydrophobicContact CB-CB 4.27Å; R94-E97 HydrophobicContact CB-CG 4Å; R94-E97 WeakPolarHBondContact CD-OE1 3.31Å; R94-E97 IonicContact CZ-OE1 3.69Å; R94-E97 IonicContact NH1-OE1 3.94Å; R94-E97 PolarHBondContact NH1-OE1 3.08Å; R94-E97 PolarHBondContact O-N 2.9Å | ||
| 98 | I | 68.8 | Low | 69.6 | Low | 92 Ų | 92 | 114.9 Ų | 114.9 | 47% | 0.472 | 62% | 0.619 | S | S | . | * | trans | -84.2 | 131.9 | 168.5 | 179.8 | 160.6 | 0 | 0 | 0 | 109.1 | D102 F103 | I98-D102 HydrophobicContact CD1-CB 4.19Å; I98-D102 HydrophobicContact CG1-CB 3.71Å; I98-F103 HydrophobicContact CB-CE2 4.01Å; I98-F103 HydrophobicContact CB-CZ 4.31Å; I98-F103 HydrophobicContact CD1-CD1 4.12Å; I98-F103 HydrophobicContact CD1-CD2 4.17Å; I98-F103 HydrophobicContact CD1-CE1 3.95Å; I98-F103 HydrophobicContact CD1-CE2 4.06Å; I98-F103 HydrophobicContact CD1-CG 4.24Å; I98-F103 HydrophobicContact CD1-CZ 3.94Å; I98-F103 HydrophobicContact CG1-CD2 3.88Å; I98-F103 HydrophobicContact CG1-CE2 3.78Å; I98-F103 HydrophobicContact CG1-CG 4.39Å; I98-F103 HydrophobicContact CG1-CZ 4.14Å; I98-F103 HydrophobicContact CG2-CD2 4.12Å; I98-F103 HydrophobicContact CG2-CE1 4.38Å; I98-F103 HydrophobicContact CG2-CE2 3.16Å; I98-F103 HydrophobicContact CG2-CZ 3.32Å | ||
| 99 | S | 77.1 | Confident | 70.2 | Confident | 17 Ų | 17 | 115.5 Ų | 115.5 | 12% | 0.119 | 62% | 0.618 | C | S | . | * | trans | -71 | 145.2 | 177.1 | -173 | 0 | 0 | 0 | 0 | 109.5 | N101 D102 F103 | S99-N101 PolarHBondContact O-N 2.92Å; S99-N101 VanDerWaalsContact O-N 3.14Å; S99-N101 PolarHBondContact OG-N 2.76Å; S99-D102 VanDerWaalsContact CB-CG 3.47Å; S99-D102 WeakPolarHBondContact CB-OD2 3.38Å; S99-D102 PolarHBondContact N-OD2 3.25Å; S99-D102 WeakPolarHBondContact O-CA 3.4Å; S99-D102 VanDerWaalsContact O-CB 3.31Å; S99-D102 WeakPolarHBondContact O-CB 3.39Å; S99-D102 PolarHBondContact O-N 2.85Å; S99-F103 PolarHBondContact O-N 3.36Å | ||
| 100 | I | 76.8 | Confident | 70.3 | Confident | 128 Ų | 128 | 110.9 Ų | 110.9 | 66% | 0.656 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -55.2 | -34.2 | 171.9 | -63.9 | 169.6 | 0 | 0 | 0 | 110.5 | D102 F103 L104 | I100-D102 VanDerWaalsContact C-N 3.28Å; I100-D102 PolarHBondContact O-N 2.97Å; I100-F103 WeakPolarHBondContact O-CB 3.35Å; I100-F103 PolarHBondContact O-N 2.7Å; I100-L104 HydrophobicContact CG2-CD1 4.1Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 3.28Å; I100-L104 PolarHBondContact O-N 2.92Å |
| 101 | N | 81.5 | Confident | 70.4 | Confident | 112 Ų | 112 | 116.4 Ų | 116.4 | 60% | 0.599 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.1 | -26.4 | 176.2 | -62.1 | -19.8 | 0 | 0 | 0 | 113.2 | S99 S105 | S99-N101 PolarHBondContact O-N 2.92Å; S99-N101 VanDerWaalsContact O-N 3.14Å; S99-N101 PolarHBondContact OG-N 2.76Å; N101-S105 WeakPolarHBondContact O-CB 3.16Å; N101-S105 PolarHBondContact O-N 3.03Å; N101-S105 VanDerWaalsContact O-N 3.15Å; N101-S105 PolarHBondContact O-OG 3.39Å |
| 102 | D | 78.3 | Confident | 70.3 | Confident | 78 Ų | 78 | 112.4 Ų | 112.4 | 42% | 0.417 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -74.2 | -35.2 | 175.7 | -55.3 | -22.4 | 0 | 0 | 0 | 110.1 | I98 S99 I100 S105 M106 | I98-D102 HydrophobicContact CD1-CB 4.19Å; I98-D102 HydrophobicContact CG1-CB 3.71Å; S99-D102 VanDerWaalsContact CB-CG 3.47Å; S99-D102 WeakPolarHBondContact CB-OD2 3.38Å; S99-D102 PolarHBondContact N-OD2 3.25Å; S99-D102 WeakPolarHBondContact O-CA 3.4Å; S99-D102 VanDerWaalsContact O-CB 3.31Å; S99-D102 WeakPolarHBondContact O-CB 3.39Å; S99-D102 PolarHBondContact O-N 2.85Å; I100-D102 VanDerWaalsContact C-N 3.28Å; I100-D102 PolarHBondContact O-N 2.97Å; D102-S105 WeakPolarHBondContact CA-OG 3.04Å; D102-S105 PolarHBondContact O-OG 2.95Å; D102-M106 PolarHBondContact O-N 3.2Å |
| 103 | F | 72.4 | Confident | 70 | Confident | 115 Ų | 115 | 113.7 Ų | 113.7 | 50% | 0.504 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.2 | -42.4 | 172 | -76.4 | -72.9 | 0 | 0 | 0 | 112.8 | I98 S99 I100 S105 M106 | I98-F103 HydrophobicContact CB-CE2 4.01Å; I98-F103 HydrophobicContact CB-CZ 4.31Å; I98-F103 HydrophobicContact CD1-CD1 4.12Å; I98-F103 HydrophobicContact CD1-CD2 4.17Å; I98-F103 HydrophobicContact CD1-CE1 3.95Å; I98-F103 HydrophobicContact CD1-CE2 4.06Å; I98-F103 HydrophobicContact CD1-CG 4.24Å; I98-F103 HydrophobicContact CD1-CZ 3.94Å; I98-F103 HydrophobicContact CG1-CD2 3.88Å; I98-F103 HydrophobicContact CG1-CE2 3.78Å; I98-F103 HydrophobicContact CG1-CG 4.39Å; I98-F103 HydrophobicContact CG1-CZ 4.14Å; I98-F103 HydrophobicContact CG2-CD2 4.12Å; I98-F103 HydrophobicContact CG2-CE1 4.38Å; I98-F103 HydrophobicContact CG2-CE2 3.16Å; I98-F103 HydrophobicContact CG2-CZ 3.32Å; S99-F103 PolarHBondContact O-N 3.36Å; I100-F103 WeakPolarHBondContact O-CB 3.35Å; I100-F103 PolarHBondContact O-N 2.7Å; F103-S105 VanDerWaalsContact C-N 3.26Å; F103-S105 PolarHBondContact O-N 3.43Å; F103-M106 PolarHBondContact O-N 2.96Å |
| 104 | L | 78.5 | Confident | 69.6 | Low | 138 Ų | 138 | 112.4 Ų | 112.4 | 72% | 0.723 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.9 | -18.3 | -178.8 | -66.4 | 175.4 | 0 | 0 | 0 | 113.4 | I100 | I100-L104 HydrophobicContact CG2-CD1 4.1Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 3.28Å; I100-L104 PolarHBondContact O-N 2.92Å |
| 105 | S | 80.6 | Confident | 68.9 | Low | 88 Ų | 88 | 107.4 Ų | 107.4 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -4.1 | 175.8 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | N101 D102 F103 | N101-S105 WeakPolarHBondContact O-CB 3.16Å; N101-S105 PolarHBondContact O-N 3.03Å; N101-S105 VanDerWaalsContact O-N 3.15Å; N101-S105 PolarHBondContact O-OG 3.39Å; D102-S105 WeakPolarHBondContact CA-OG 3.04Å; D102-S105 PolarHBondContact O-OG 2.95Å; F103-S105 VanDerWaalsContact C-N 3.26Å; F103-S105 PolarHBondContact O-N 3.43Å |
| 106 | M | 77 | Confident | 68.4 | Low | 113 Ų | 113 | 107.1 Ų | 107.1 | 56% | 0.557 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -76.7 | 125.8 | 174.6 | -166.4 | 172 | 64.1 | 0 | 0 | 109.7 | D102 F103 | D102-M106 PolarHBondContact O-N 3.2Å; F103-M106 PolarHBondContact O-N 2.96Å |
| 107 | P | 75.5 | Confident | 67.8 | Low | 98 Ų | 98 | 110.7 Ų | 110.7 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 146.1 | 175.6 | 25.7 | -32.9 | 0 | 0 | 0 | 110.2 | V109 | P107-V109 PolarHBondContact O-N 3.44Š|
| 108 | P | 73.3 | Confident | 67 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -59 | 123.6 | 178.7 | 23.6 | -32.4 | 0 | 0 | 0 | 110.3 | L110 | P108-L110 PolarHBondContact O-N 3.33Š|
| 109 | V | 67.6 | Low | 66.4 | Low | 120 Ų | 120 | 116 Ų | 116 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -79.2 | 71.7 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | P107 | P107-V109 PolarHBondContact O-N 3.44Š|
| 110 | L | 58.2 | Low | 65.3 | Low | 156 Ų | 156 | 120.6 Ų | 120.6 | 82% | 0.817 | 64% | 0.643 | S | S | * | * | trans | -135.9 | 26.5 | -177.1 | -70 | 179.1 | 0 | 0 | 0 | 114.4 | P108 | P108-L110 PolarHBondContact O-N 3.33Š| ||
| 111 | E | 56 | Low | 64.3 | Low | 171 Ų | 171 | 121.3 Ų | 121.3 | 80% | 0.799 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -124 | -0.3 | 179.6 | -80.5 | -173.4 | 157.8 | 0 | 0 | 116.3 | A115 | E111-A115 VanDerWaalsContact O-CB 3.23Å; E111-A115 WeakPolarHBondContact O-CB 3.44Å |
| 112 | S | 56 | Low | 63 | Low | 82 Ų | 82 | 125.5 Ų | 125.5 | 57% | 0.573 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -104 | -18.8 | -170 | -47.5 | 0 | 0 | 0 | 0 | 116 | Q116 | S112-Q116 VanDerWaalsContact O-CB 3.23Å; S112-Q116 WeakPolarHBondContact O-CB 3.13Å; S112-Q116 PolarHBondContact O-N 2.79Å |
| 113 | I | 53.4 | Low | 61.8 | Low | 130 Ų | 130 | 127.2 Ų | 127.2 | 67% | 0.667 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79.9 | -41.3 | -176.5 | -59.2 | 174.6 | 0 | 0 | 0 | 110.8 | R117 | I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 2.69Å |
| 114 | D | 54.4 | Low | 60.7 | Low | 118 Ų | 118 | 129.6 Ų | 129.6 | 63% | 0.631 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -81.3 | -28.6 | 177.1 | -72.9 | -29.3 | 0 | 0 | 0 | 113.2 | R118 | D114-R118 VanDerWaalsContact O-CG 3.27Å; D114-R118 WeakPolarHBondContact O-CG 3.46Å; D114-R118 PolarHBondContact O-N 3.15Å |
| 115 | A | 56.4 | Low | 59.2 | Low | 61 Ų | 61 | 130.5 Ų | 130.5 | 50% | 0.504 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -68.9 | -33 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E111 S119 | E111-A115 VanDerWaalsContact O-CB 3.23Å; E111-A115 WeakPolarHBondContact O-CB 3.44Å; A115-S119 PolarHBondContact O-N 2.92Å |
| 116 | Q | 56.4 | Low | 57.9 | Low | 138 Ų | 138 | 134.8 Ų | 134.8 | 65% | 0.645 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -77.1 | -32 | 177 | -172.7 | 173.5 | -16.3 | 0 | 0 | 112.6 | S112 S119 | S112-Q116 VanDerWaalsContact O-CB 3.23Å; S112-Q116 WeakPolarHBondContact O-CB 3.13Å; S112-Q116 PolarHBondContact O-N 2.79Å; Q116-S119 PolarHBondContact O-OG 3.43Å; Q116-S119 VanDerWaalsContact O-OG 3.11Å |
| 117 | R | 56.5 | Low | 56.8 | Low | 174 Ų | 174 | 138.6 Ų | 138.6 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -68.6 | -35.9 | 173.3 | -74 | 179.5 | 178.5 | -156.7 | -0.7 | 111.9 | I113 S119 T120 | I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 2.69Å; R117-S119 PolarHBondContact O-N 2.83Å; R117-T120 PolarHBondContact O-OG1 2.94Å; R117-T120 VanDerWaalsContact O-OG1 3.09Å |
| 118 | R | 52.8 | Low | 55.5 | Low | 203 Ų | 203 | 139.4 Ų | 139.4 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -76.4 | -15.7 | -179.6 | -67 | 175 | 92.3 | 146.6 | 6.1 | 114.6 | D114 | D114-R118 VanDerWaalsContact O-CG 3.27Å; D114-R118 WeakPolarHBondContact O-CG 3.46Å; D114-R118 PolarHBondContact O-N 3.15Å |
| 119 | S | 56 | Low | 54.7 | Low | 85 Ų | 85 | 140.2 Ų | 140.2 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -10.6 | 177.4 | 66.8 | 0 | 0 | 0 | 0 | 114.5 | A115 Q116 R117 | A115-S119 PolarHBondContact O-N 2.92Å; Q116-S119 PolarHBondContact O-OG 3.43Å; Q116-S119 VanDerWaalsContact O-OG 3.11Å; R117-S119 PolarHBondContact O-N 2.83Å |
| 120 | T | 54.4 | Low | 54.3 | Low | 113 Ų | 113 | 141.5 Ų | 141.5 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -94.5 | -2.8 | -178.5 | 61 | 0 | 0 | 0 | 0 | 114.5 | R117 | R117-T120 PolarHBondContact O-OG1 2.94Å; R117-T120 VanDerWaalsContact O-OG1 3.09Å |
| 121 | L | 56.2 | Low | 53.7 | Low | 143 Ų | 143 | 137.6 Ų | 137.6 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -105 | 5.3 | -174.5 | -84.2 | 163.9 | 0 | 0 | 0 | 114.6 | ||
| 122 | Y | 54 | Low | 53.7 | Low | 200 Ų | 200 | 141.1 Ų | 141.1 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -126.5 | 116.3 | 176.6 | -82.3 | -88 | 0 | 0 | 0 | 111.4 | ||
| 123 | S | 52 | Low | 53.3 | Low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | 89.3 | 84.6 | 156.5 | -49.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 124 | D | 48.7 | Very low | 53.2 | Low | 165 Ų | 165 | 146.1 Ų | 146.1 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | trans | -28.7 | 155.6 | 135.1 | -111.5 | -35.4 | 0 | 0 | 0 | 114.5 | ||||
| 125 | E | 48.7 | Very low | 52.9 | Low | 157 Ų | 157 | 146.5 Ų | 146.5 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 95.5 | 87.1 | 167.2 | -149.1 | 157.4 | -168.6 | 0 | 0 | 116.6 | ||
| 126 | K | 52.9 | Low | 52.7 | Low | 179 Ų | 179 | 149.5 Ų | 149.5 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | 75.4 | 68.8 | 156.4 | -49.7 | -166.1 | -172.4 | -170.1 | 0 | 118.4 | ||||
| 127 | H | 53.1 | Low | 52.3 | Low | 192 Ų | 192 | 149 Ų | 149 | 89% | 0.889 | 78% | 0.776 | S | S | * | * | trans | -127.8 | 106 | 160.6 | -76.5 | -65.4 | 0 | 0 | 0 | 114.1 | ||||
| 128 | N | 49.5 | Very low | 51.9 | Low | 115 Ų | 115 | 149.2 Ų | 149.2 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | trans | -45.3 | 135.1 | 168.2 | -173.3 | 7.4 | 0 | 0 | 0 | 113.1 | L130 | N128-L130 PolarHBondContact O-N 3.08Š| ||
| 129 | P | 54.9 | Low | 52.3 | Low | 129 Ų | 129 | 147.6 Ų | 147.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 10.5 | -179.2 | 28.1 | -35.3 | 0 | 0 | 0 | 115.5 | ||
| 130 | L | 59.6 | Low | 52 | Low | 147 Ų | 147 | 149.5 Ų | 149.5 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 9.5 | -175.5 | -63.2 | 176.7 | 0 | 0 | 0 | 114.9 | N128 R132 | N128-L130 PolarHBondContact O-N 3.08Å; L130-R132 PolarHBondContact O-N 2.77Å |
| 131 | G | 45 | Very low | 52 | Low | 74 Ų | 74 | 151.2 Ų | 151.2 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -95.3 | 51.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 132 | R | 56.9 | Low | 51.5 | Low | 246 Ų | 246 | 154.7 Ų | 154.7 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | trans | -115.2 | 73.8 | 170.6 | -143.4 | 179.2 | -167.6 | -141.9 | 4 | 111.5 | L130 G134 | L130-R132 PolarHBondContact O-N 2.77Å; R132-G134 PolarHBondContact O-N 2.99Å; R132-G134 VanDerWaalsContact O-N 3.14Å | ||
| 133 | R | 48.1 | Very low | 51.5 | Low | 256 Ų | 256 | 154.1 Ų | 154.1 | 97% | 0.966 | 80% | 0.795 | S | S | * | * | trans | -72.8 | 91.2 | 162.7 | -85.1 | -174 | 174.8 | -166.8 | -1.1 | 108.7 | ||||
| 134 | G | 50.7 | Low | 51.2 | Low | 60 Ų | 60 | 157.8 Ų | 157.8 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | trans | -108.3 | 110.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | R132 T136 | R132-G134 PolarHBondContact O-N 2.99Å; R132-G134 VanDerWaalsContact O-N 3.14Å; G134-T136 PolarHBondContact O-N 2.86Å | ||
| 135 | S | 47.7 | Very low | 51.5 | Low | 126 Ų | 126 | 155.6 Ų | 155.6 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -65.3 | 106.2 | -173 | -32.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 136 | T | 52 | Low | 51.8 | Low | 124 Ų | 124 | 157.7 Ų | 157.7 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | -106.7 | 135.2 | 160.4 | 55 | 0 | 0 | 0 | 0 | 108.4 | G134 F138 | G134-T136 PolarHBondContact O-N 2.86Å; T136-F138 PolarHBondContact O-N 3.25Å | ||
| 137 | P | 49.1 | Very low | 51.4 | Low | 128 Ų | 128 | 155.4 Ų | 155.4 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -62.9 | 125.6 | 176 | 25.9 | -30.3 | 0 | 0 | 0 | 109.4 | E139 | P137-E139 PolarHBondContact O-N 2.78Š| ||
| 138 | F | 47.6 | Very low | 51 | Low | 179 Ų | 179 | 156.2 Ų | 156.2 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -73.8 | 106.6 | 178.7 | 179.2 | -95.9 | 0 | 0 | 0 | 108.9 | T136 E140 | T136-F138 PolarHBondContact O-N 3.25Å; F138-E140 HydrophobicContact CD1-CB 4.33Å; F138-E140 HydrophobicContact CE1-CB 3.83Å; F138-E140 HydrophobicContact CE1-CG 4.24Å | ||
| 139 | E | 61.6 | Low | 51 | Low | 168 Ų | 168 | 159.7 Ų | 159.7 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -96.1 | 113.1 | 163.1 | -94.1 | -80.1 | 150.6 | 0 | 0 | 107.6 | P137 N141 | P137-E139 PolarHBondContact O-N 2.78Å; E139-N141 PolarHBondContact O-N 3.02Å | ||
| 140 | E | 49.1 | Very low | 50.6 | Low | 126 Ų | 126 | 157.8 Ų | 157.8 | 59% | 0.589 | 81% | 0.81 | S | S | * | * | trans | -76.8 | 105.1 | -177 | -177.7 | -178.3 | 178.3 | 0 | 0 | 109.9 | F138 | F138-E140 HydrophobicContact CD1-CB 4.33Å; F138-E140 HydrophobicContact CE1-CB 3.83Å; F138-E140 HydrophobicContact CE1-CG 4.24Å | ||
| 141 | N | 53.8 | Low | 49.8 | Very low | 148 Ų | 148 | 157.6 Ų | 157.6 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -117.8 | 93.7 | 162.7 | -73.7 | -63.8 | 0 | 0 | 0 | 109 | E139 E143 | E139-N141 PolarHBondContact O-N 3.02Å; N141-E143 PolarHBondContact O-N 2.83Å | ||
| 142 | R | 46.3 | Very low | 50.1 | Low | 217 Ų | 217 | 161 Ų | 161 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | trans | -62.6 | 111 | 162.2 | -91.7 | 176.3 | 159.1 | 168.7 | -5 | 108.7 | ||||
| 143 | E | 54.6 | Low | 49.9 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -130.4 | 115.1 | 152.3 | -102.4 | -179.7 | 166.1 | 0 | 0 | 109.1 | N141 S145 | N141-E143 PolarHBondContact O-N 2.83Å; E143-S145 PolarHBondContact O-N 3.3Å | ||
| 144 | E | 46 | Very low | 50.4 | Low | 190 Ų | 190 | 153.6 Ų | 153.6 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -65.5 | 120.2 | -175.7 | -62.9 | 173.5 | 159.2 | 0 | 0 | 110.7 | ||||
| 145 | S | 54.3 | Low | 50.3 | Low | 118 Ų | 118 | 157.4 Ų | 157.4 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -119.9 | 90.9 | 169.2 | -68.3 | 0 | 0 | 0 | 0 | 109.8 | E143 | E143-S145 PolarHBondContact O-N 3.3Š| ||
| 146 | K | 54.8 | Low | 50.3 | Low | 201 Ų | 201 | 154.8 Ų | 154.8 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 12.9 | 124.7 | 158.3 | -59.8 | -179.2 | 179.4 | -177.7 | 0 | 119.3 | ||||
| 147 | P | 44.2 | Very low | 50.1 | Low | 132 Ų | 132 | 154 Ų | 154 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -91.3 | 151.1 | 154.6 | 33 | -23.6 | 0 | 0 | 0 | 112.3 | ||||
| 148 | K | 45.1 | Very low | 50.2 | Low | 208 Ų | 208 | 154.4 Ų | 154.4 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -58.6 | 140.1 | 179.4 | -73.1 | 171.1 | 168.3 | 176.9 | 0 | 114.5 | ||||
| 149 | E | 48.6 | Very low | 50.3 | Low | 189 Ų | 189 | 152.8 Ų | 152.8 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -177.9 | 145.8 | 153.4 | -111.4 | 176.3 | 159.8 | 0 | 0 | 105.8 | ||||
| 150 | S | 48.5 | Very low | 50.2 | Low | 89 Ų | 89 | 152.8 Ų | 152.8 | 62% | 0.622 | 82% | 0.822 | S | S | * | * | cis | -179.3 | 139.6 | -15.5 | 42.7 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 151 | N | 42.4 | Very low | 50.6 | Low | 142 Ų | 142 | 154.4 Ų | 154.4 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | trans | 44.2 | 122.4 | 155.4 | -60.5 | -20.4 | 0 | 0 | 0 | 121.1 | ||||
| 152 | D | 50.3 | Low | 50.7 | Low | 145 Ų | 145 | 152.1 Ų | 152.1 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | 171.3 | 135.1 | 100.7 | -84.6 | -32.4 | 0 | 0 | 0 | 111.3 | |||||
| 153 | D | 52.5 | Low | 51.1 | Low | 152 Ų | 152 | 149.6 Ų | 149.6 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | 50.3 | 112.9 | 150.8 | -62.4 | -29.1 | 0 | 0 | 0 | 121.5 | ||||
| 154 | E | 59.5 | Low | 50.8 | Low | 195 Ų | 195 | 148.6 Ų | 148.6 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | 174.4 | 104.9 | 98.9 | -167.6 | 164.9 | -172.5 | 0 | 0 | 109.1 | |||||
| 155 | C | 47.7 | Very low | 50.8 | Low | 140 Ų | 140 | 142.9 Ų | 142.9 | 95% | 0.946 | 81% | 0.806 | S | S | * | * | trans | -109 | 120.4 | 175.8 | -162.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 156 | G | 48 | Very low | 50.3 | Low | 72 Ų | 72 | 143.2 Ų | 143.2 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 147.3 | 105.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 157 | A | 48.6 | Very low | 49.8 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | 178 | 94 | 128 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 158 | V | 51 | Low | 50.1 | Low | 136 Ų | 136 | 150.1 Ų | 150.1 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | -77.9 | 131.9 | 152.7 | -77.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 159 | D | 50.3 | Low | 50.4 | Low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | 142.9 | 112 | 153 | -82.9 | -20.2 | 0 | 0 | 0 | 110 | ||||
| 160 | D | 58.9 | Low | 50.5 | Low | 168 Ų | 168 | 144.7 Ų | 144.7 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | -150.3 | 125.8 | 123.1 | -126.6 | -21.9 | 0 | 0 | 0 | 109.9 | |||||
| 161 | E | 58.3 | Low | 50.6 | Low | 160 Ų | 160 | 147.9 Ų | 147.9 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -72.8 | 178.4 | -175.3 | -62.7 | -171.7 | 136.8 | 0 | 0 | 113.1 | ||||
| 162 | C | 54.6 | Low | 51.1 | Low | 101 Ų | 101 | 148.3 Ų | 148.3 | 68% | 0.682 | 83% | 0.832 | S | S | * | * | trans | 84.1 | 125.4 | 146.4 | -91.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 163 | K | 54.7 | Low | 51.1 | Low | 163 Ų | 163 | 148.5 Ų | 148.5 | 71% | 0.709 | 84% | 0.836 | S | S | * | * | cis | -158.8 | 150.1 | 26.9 | -71.6 | -160.3 | 165.9 | -171.2 | 0 | 112.7 | ||||
| 164 | H | 48.7 | Very low | 51 | Low | 167 Ų | 167 | 148.3 Ų | 148.3 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | 56.4 | 127.4 | 143.4 | -59 | -29.4 | 0 | 0 | 0 | 118.7 | ||||
| 165 | G | 45.3 | Very low | 50.4 | Low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | cis | 113.3 | 90.7 | 28.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 166 | S | 44.2 | Very low | 50.6 | Low | 125 Ų | 125 | 145.1 Ų | 145.1 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | 16.6 | 103.2 | 157.1 | -54.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 167 | R | 44.8 | Very low | 50.8 | Low | 327 Ų | 327 | 151.7 Ų | 151.7 | 100% | 1.234 | 83% | 0.829 | S | S | * | * | -168.2 | 0 | 116.1 | -119.2 | -179.4 | 178.6 | 179 | -0.1 | 111.1 |
Retrieved 167 of 167 residues in 23.7 ms
(Link to these results)