| 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 | 44.6 | Very low | 42.4 | Very low | 238 Ų | 238 | 156.5 Ų | 156.5 | 100% | 1.172 | 86% | 0.859 | S | S | * | * | 0 | 108.1 | 0 | -69.7 | -171.2 | 156.5 | 0 | 0 | 107.2 | |||||
| 2 | V | 40.8 | Very low | 42 | Very low | 134 Ų | 134 | 153.3 Ų | 153.3 | 81% | 0.812 | 86% | 0.857 | S | S | * | * | cis | -134.2 | 97 | 17.6 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | S | 41 | Very low | 42.6 | Very low | 108 Ų | 108 | 152.8 Ų | 152.8 | 76% | 0.755 | 85% | 0.851 | S | S | * | * | trans | -63.8 | 156 | 142.9 | 54.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 4 | A | 45.1 | Very low | 42.1 | Very low | 84 Ų | 84 | 156.9 Ų | 156.9 | 69% | 0.694 | 85% | 0.849 | S | S | * | * | trans | 91.3 | 77.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 5 | L | 45.3 | Very low | 42.2 | Very low | 176 Ų | 176 | 159.1 Ų | 159.1 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | trans | -167.3 | 15.7 | 133 | -103.4 | 146.1 | 0 | 0 | 0 | 113.1 | R7 | L5-R7 PolarHBondContact O-N 3.27Š| ||
| 6 | Q | 41 | Very low | 41.9 | Very low | 186 Ų | 186 | 159 Ų | 159 | 87% | 0.869 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -90.5 | 73.9 | 166.2 | -162.1 | 85.9 | -0.7 | 0 | 0 | 108.9 | ||
| 7 | R | 46.3 | Very low | 41.9 | Very low | 239 Ų | 239 | 156.3 Ų | 156.3 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | 168 | 92.9 | 162.7 | -95 | 159.7 | -153.3 | -136.9 | 8.3 | 109.2 | L5 | L5-R7 PolarHBondContact O-N 3.27Š| ||
| 8 | L | 42.7 | Very low | 42.1 | Very low | 165 Ų | 165 | 155.2 Ų | 155.2 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -177.2 | 97 | 140.4 | -99.3 | 164.9 | 0 | 0 | 0 | 106.9 | ||
| 9 | F | 36.5 | Very low | 42.1 | Very low | 200 Ų | 200 | 153.2 Ų | 153.2 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | 160.3 | 63.3 | 140.9 | -97.2 | -81.9 | 0 | 0 | 0 | 108.7 | ||||
| 10 | A | 42.1 | Very low | 41.9 | Very low | 106 Ų | 106 | 158 Ų | 158 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | -86.4 | 105 | 151.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 11 | A | 41.4 | Very low | 41.7 | Very low | 85 Ų | 85 | 157.1 Ų | 157.1 | 70% | 0.702 | 84% | 0.843 | S | S | * | * | trans | 174.8 | 87.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 12 | S | 37.8 | Very low | 41.3 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | 178 | 110.3 | 120.9 | -90.6 | 0 | 0 | 0 | 0 | 109.8 | Y14 | S12-Y14 PolarHBondContact O-N 3.26Š| |||
| 13 | N | 49.4 | Very low | 41.7 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -29.7 | 126.3 | 155.9 | -80.1 | -66.6 | 0 | 0 | 0 | 112.7 | ||||
| 14 | Y | 35.2 | Very low | 41.4 | Very low | 209 Ų | 209 | 148.6 Ų | 148.6 | 82% | 0.82 | 82% | 0.817 | S | S | * | * | -153.7 | 88.4 | 129.1 | -102.5 | -73.4 | 0 | 0 | 0 | 108.8 | S12 H16 | S12-Y14 PolarHBondContact O-N 3.26Å; Y14-H16 AromaticContact CD1-CD2 3.73Å; Y14-H16 AromaticContact CE1-CD2 3.96Å | |||
| 15 | K | 44.5 | Very low | 41.4 | Very low | 191 Ų | 191 | 153.2 Ų | 153.2 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | trans | -77.4 | 112 | 157.6 | -172.9 | 171.8 | -174.2 | 176.8 | 0 | 106.3 | ||||
| 16 | H | 37.2 | Very low | 41.5 | Very low | 157 Ų | 157 | 150 Ų | 150 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -136.3 | 144.6 | 154.2 | -87.4 | -49.9 | 0 | 0 | 0 | 111.3 | Y14 | Y14-H16 AromaticContact CD1-CD2 3.73Å; Y14-H16 AromaticContact CE1-CD2 3.96Å | ||
| 17 | P | 41.7 | Very low | 41.8 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -91.1 | 165.1 | -145.4 | 36.5 | -35.7 | 0 | 0 | 0 | 113.4 | ||||
| 18 | V | 45.5 | Very low | 42.1 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -66 | 150 | 166.5 | -118.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 19 | S | 42 | Very low | 42.2 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 73.2 | 98.6 | 162.7 | 52.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 20 | R | 37.6 | Very low | 42.8 | Very low | 249 Ų | 249 | 140.3 Ų | 140.3 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | -145.7 | 122.3 | 126.5 | -112.1 | 178 | -165.7 | -151.7 | 3.3 | 109.8 | |||||
| 21 | C | 38.9 | Very low | 43.6 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 95% | 0.946 | 79% | 0.794 | S | S | * | * | trans | -56.3 | 138.3 | 160.9 | -73.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 22 | G | 34.8 | Very low | 44.7 | Very low | 64 Ų | 64 | 147.6 Ų | 147.6 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | 163.7 | 81.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | S24 | G22-S24 PolarHBondContact O-N 3.4Š| ||
| 23 | V | 49.3 | Very low | 46.2 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -65.8 | 83.7 | 173.3 | -93.5 | 0 | 0 | 0 | 0 | 109.1 | F25 | V23-F25 HydrophobicContact CB-CD2 4.32Å; V23-F25 HydrophobicContact CB-CE2 4.47Å; V23-F25 HydrophobicContact CG1-CD2 4.27Å; V23-F25 HydrophobicContact CG1-CE2 3.95Å | ||
| 24 | S | 35.3 | Very low | 47.7 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -94.7 | 87.3 | 155.5 | 50.3 | 0 | 0 | 0 | 0 | 107.3 | G22 P26 | G22-S24 PolarHBondContact O-N 3.4Å; S24-P26 WeakPolarHBondContact O-CD 3.36Å | ||
| 25 | F | 45.1 | Very low | 50.3 | Low | 182 Ų | 182 | 144.7 Ų | 144.7 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -63.6 | 114.6 | 162.4 | -86.5 | -94.1 | 0 | 0 | 0 | 107.1 | V23 | V23-F25 HydrophobicContact CB-CD2 4.32Å; V23-F25 HydrophobicContact CB-CE2 4.47Å; V23-F25 HydrophobicContact CG1-CD2 4.27Å; V23-F25 HydrophobicContact CG1-CE2 3.95Å | ||
| 26 | P | 47.6 | Very low | 52.6 | Low | 107 Ų | 107 | 139.4 Ų | 139.4 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | trans | -63.9 | 143 | 175.2 | 26.4 | -32.4 | 0 | 0 | 0 | 109.3 | S24 V28 | S24-P26 WeakPolarHBondContact O-CD 3.36Å; P26-V28 PolarHBondContact O-N 2.96Å | ||
| 27 | P | 47.2 | Very low | 55.3 | Low | 121 Ų | 121 | 135.8 Ų | 135.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -60.1 | 139 | -175.4 | 23.9 | -32.9 | 0 | 0 | 0 | 111.1 | R29 | P27-R29 PolarHBondContact O-N 3.23Š| ||
| 28 | V | 52.8 | Low | 57.8 | Low | 145 Ų | 145 | 139 Ų | 139 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -68.7 | 89 | -179.7 | -168 | 0 | 0 | 0 | 0 | 108.8 | P26 A30 | P26-V28 PolarHBondContact O-N 2.96Å; V28-A30 PolarHBondContact O-N 3.32Å | ||
| 29 | R | 45.2 | Very low | 60.1 | Low | 238 Ų | 238 | 136.9 Ų | 136.9 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | -67.3 | 109.6 | 164 | -83 | -172.5 | -176.2 | -177.5 | 2.3 | 108.9 | P27 N31 | P27-R29 PolarHBondContact O-N 3.23Å; R29-N31 PolarHBondContact O-N 3.36Å | ||
| 30 | A | 47.8 | Very low | 62.6 | Low | 84 Ų | 84 | 131.5 Ų | 131.5 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | trans | -61.1 | 113.4 | 165 | 0 | 0 | 0 | 0 | 0 | 108.6 | V28 | V28-A30 PolarHBondContact O-N 3.32Š| ||
| 31 | N | 60.7 | Low | 65.2 | Low | 143 Ų | 143 | 123.3 Ų | 123.3 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | S | Bend | 88.4 | 79.6 | 98.5 | -78.3 | -17.3 | 0 | 0 | 0 | 113.9 | R29 | R29-N31 PolarHBondContact O-N 3.36Š| |
| 32 | M | 62.8 | Low | 67.8 | Low | 201 Ų | 201 | 124.2 Ų | 124.2 | 99% | 0.99 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -168 | 104.5 | 131.8 | -94.8 | 174.4 | 92.5 | 0 | 0 | 106.1 | ||
| 33 | G | 69.8 | Low | 70.6 | Confident | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 147.3 | -3.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | V35 | G33-V35 VanDerWaalsContact C-N 3.3Å; G33-V35 PolarHBondContact O-N 3.45Å |
| 34 | R | 82 | Confident | 72.7 | Confident | 215 Ų | 215 | 116.9 Ų | 116.9 | 81% | 0.811 | 63% | 0.625 | S | S | * | * | trans | -93.8 | 32.1 | -178.8 | -149.1 | 179.5 | -177.9 | 110.8 | -4 | 113.9 | ||||
| 35 | V | 89.7 | Confident | 75.4 | Confident | 122 Ų | 122 | 115 Ų | 115 | 74% | 0.739 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 126.5 | 173.9 | -176.7 | 0 | 0 | 0 | 0 | 109 | G33 | G33-V35 VanDerWaalsContact C-N 3.3Å; G33-V35 PolarHBondContact O-N 3.45Å |
| 36 | R | 92.4 | Very high | 77.7 | Confident | 80 Ų | 80 | 109.1 Ų | 109.1 | 30% | 0.302 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 136.5 | 178 | -64.3 | 160.6 | 175.5 | 95.1 | -15.4 | 109.8 | V40 K41 G83 | R36-V40 HydrophobicContact CB-CG1 4.41Å; R36-K41 HydrophobicContact CB-CG 4.4Å; R36-K41 WeakPolarHBondContact O-CE 3.48Å; R36-G83 PolarHBondContact NH2-O 3.35Å |
| 37 | T | 94.3 | Very high | 79.8 | Confident | 81 Ų | 81 | 104.7 Ų | 104.7 | 50% | 0.497 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 162.9 | -178.5 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | T39 V40 K41 | T37-T39 VanDerWaalsContact C-N 3.25Å; T37-T39 PolarHBondContact O-N 3.49Å; T37-T39 PolarHBondContact OG1-OG1 3.39Å; T37-T39 VanDerWaalsContact OG1-OG1 3.11Å; T37-V40 PolarHBondContact O-N 3.48Å; T37-K41 WeakPolarHBondContact O-CG 3.11Å; T37-K41 PolarHBondContact O-N 3.23Å; T37-K41 VanDerWaalsContact O-N 3.09Å |
| 38 | K | 94.3 | Very high | 82 | Confident | 181 Ų | 181 | 98.9 Ų | 98.9 | 79% | 0.787 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.3 | -34.3 | 179 | 63.1 | -175.6 | 178.2 | -177.2 | 0 | 113.7 | K41 K42 | K38-K41 PolarHBondContact O-N 3.19Å; K38-K42 VanDerWaalsContact O-CB 3.24Å; K38-K42 WeakPolarHBondContact O-CB 3.42Å; K38-K42 PolarHBondContact O-N 3.14Å |
| 39 | T | 92.4 | Very high | 83.7 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.564 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -46.4 | 178.6 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | T37 A43 | T37-T39 VanDerWaalsContact C-N 3.25Å; T37-T39 PolarHBondContact O-N 3.49Å; T37-T39 PolarHBondContact OG1-OG1 3.39Å; T37-T39 VanDerWaalsContact OG1-OG1 3.11Å; T39-A43 VanDerWaalsContact O-CB 3.28Å; T39-A43 WeakPolarHBondContact O-CB 3.44Å; T39-A43 PolarHBondContact O-N 3.38Å |
| 40 | V | 94.3 | Very high | 85.9 | Confident | 3 Ų | 3 | 91.1 Ų | 91.1 | 2% | 0.018 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | R36 T37 A44 K80 V81 | R36-V40 HydrophobicContact CB-CG1 4.41Å; T37-V40 PolarHBondContact O-N 3.48Å; V40-A44 VanDerWaalsContact O-CB 3.27Å; V40-A44 WeakPolarHBondContact O-CB 3.39Å; V40-A44 PolarHBondContact O-N 3.01Å; V40-K80 HydrophobicContact CG1-CB 4.13Å; V40-K80 WeakPolarHBondContact CG1-O 3.48Å; V40-K80 HydrophobicContact CG2-CB 4.1Å; V40-V81 HydrophobicContact CG1-CG2 4.09Å |
| 41 | K | 93.6 | Very high | 88 | Confident | 77 Ų | 77 | 91.4 Ų | 91.4 | 34% | 0.335 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | -179.1 | -65.5 | -178.3 | 174.6 | 169.2 | 0 | 112.3 | R36 T37 K38 R45 Y84 | R36-K41 HydrophobicContact CB-CG 4.4Å; R36-K41 WeakPolarHBondContact O-CE 3.48Å; T37-K41 WeakPolarHBondContact O-CG 3.11Å; T37-K41 PolarHBondContact O-N 3.23Å; T37-K41 VanDerWaalsContact O-N 3.09Å; K38-K41 PolarHBondContact O-N 3.19Å; K41-R45 VanDerWaalsContact O-CG 3.29Å; K41-R45 WeakPolarHBondContact O-CG 3.03Å; K41-R45 PolarHBondContact O-N 3.39Å; K41-Y84 HydrophobicContact CB-CD1 4.37Å; K41-Y84 HydrophobicContact CB-CE1 3.75Å; K41-Y84 HydrophobicContact CG-CD1 4.15Å; K41-Y84 HydrophobicContact CG-CE1 3.55Å; K41-Y84 HydrophobicContact CG-CE2 4.41Å |
| 42 | K | 93.2 | Very high | 89.3 | Confident | 159 Ų | 159 | 88.5 Ų | 88.5 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68 | -47.8 | 178.9 | -170.8 | 173.9 | -178.5 | 178.8 | 0 | 111.1 | K38 A44 R45 V46 | K38-K42 VanDerWaalsContact O-CB 3.24Å; K38-K42 WeakPolarHBondContact O-CB 3.42Å; K38-K42 PolarHBondContact O-N 3.14Å; K42-A44 PolarHBondContact O-N 3.38Å; K42-R45 PolarHBondContact O-N 2.73Å; K42-V46 WeakPolarHBondContact O-CG2 3.29Å; K42-V46 PolarHBondContact O-N 2.81Å |
| 43 | A | 93.1 | Very high | 90.7 | Very high | 42 Ų | 42 | 85.3 Ų | 85.3 | 35% | 0.347 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T39 R45 V46 I47 | T39-A43 VanDerWaalsContact O-CB 3.28Å; T39-A43 WeakPolarHBondContact O-CB 3.44Å; T39-A43 PolarHBondContact O-N 3.38Å; A43-R45 PolarHBondContact O-N 3.12Å; A43-V46 PolarHBondContact O-N 3.12Å; A43-I47 VanDerWaalsContact O-CG1 3.3Å; A43-I47 WeakPolarHBondContact O-CG1 3.31Å; A43-I47 PolarHBondContact O-N 2.86Å |
| 44 | A | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V40 K42 I47 I48 Y84 V85 L88 | V40-A44 VanDerWaalsContact O-CB 3.27Å; V40-A44 WeakPolarHBondContact O-CB 3.39Å; V40-A44 PolarHBondContact O-N 3.01Å; K42-A44 PolarHBondContact O-N 3.38Å; A44-I47 PolarHBondContact O-N 2.89Å; A44-I48 WeakPolarHBondContact O-CD1 3.48Å; A44-I48 VanDerWaalsContact O-CG1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.41Å; A44-I48 PolarHBondContact O-N 3.11Å; A44-Y84 HydrophobicContact CB-CD1 3.62Å; A44-Y84 HydrophobicContact CB-CE1 4.44Å; A44-Y84 HydrophobicContact CB-CG 4.48Å; A44-V85 HydrophobicContact CB-CG2 3.72Å; A44-L88 HydrophobicContact CB-CD1 4.46Å |
| 45 | R | 92.4 | Very high | 92 | Very high | 67 Ų | 67 | 78.2 Ų | 78.2 | 25% | 0.253 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 176.2 | -72.6 | 171.6 | -175.1 | -88.5 | 4.9 | 111.1 | K41 K42 A43 I47 I48 E49 L88 R98 G99 I100 | K41-R45 VanDerWaalsContact O-CG 3.29Å; K41-R45 WeakPolarHBondContact O-CG 3.03Å; K41-R45 PolarHBondContact O-N 3.39Å; K42-R45 PolarHBondContact O-N 2.73Å; A43-R45 PolarHBondContact O-N 3.12Å; R45-I47 VanDerWaalsContact C-N 3.32Å; R45-I47 PolarHBondContact O-N 3.41Å; R45-I48 PolarHBondContact O-N 3.3Å; R45-I48 VanDerWaalsContact O-N 3.11Å; R45-E49 WeakPolarHBondContact O-CG 3.19Å; R45-E49 PolarHBondContact O-N 3.11Å; R45-L88 HydrophobicContact CG-CD1 4.37Å; R45-R98 PolarHBondContact NH1-O 3.35Å; R45-G99 VanDerWaalsContact NH1-C 3.31Å; R45-G99 PolarHBondContact NH1-O 3.22Å; R45-I100 HydrophobicContact CG-CG1 4.19Å |
| 46 | V | 92.1 | Very high | 92 | Very high | 58 Ų | 58 | 73.7 Ų | 73.7 | 35% | 0.352 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | K42 A43 K50 | K42-V46 WeakPolarHBondContact O-CG2 3.29Å; K42-V46 PolarHBondContact O-N 2.81Å; A43-V46 PolarHBondContact O-N 3.12Å; V46-K50 HydrophobicContact CG1-CD 4.35Å; V46-K50 PolarHBondContact O-N 3.04Å |
| 47 | I | 92.8 | Very high | 92 | Very high | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.4 | -69 | 165 | 0 | 0 | 0 | 110.7 | A43 A44 R45 Y51 L55 V81 | A43-I47 VanDerWaalsContact O-CG1 3.3Å; A43-I47 WeakPolarHBondContact O-CG1 3.31Å; A43-I47 PolarHBondContact O-N 2.86Å; A44-I47 PolarHBondContact O-N 2.89Å; R45-I47 VanDerWaalsContact C-N 3.32Å; R45-I47 PolarHBondContact O-N 3.41Å; I47-Y51 WeakPolarHBondContact O-CB 3.43Å; I47-Y51 PolarHBondContact O-N 3.27Å; I47-L55 HydrophobicContact CG2-CD1 4.27Å; I47-V81 HydrophobicContact CD1-CG1 3.8Å |
| 48 | I | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.9 | -44.1 | -179.6 | -69 | 167.5 | 0 | 0 | 0 | 111.7 | A44 R45 K50 Y52 L55 V85 L88 M89 I92 I100 | A44-I48 WeakPolarHBondContact O-CD1 3.48Å; A44-I48 VanDerWaalsContact O-CG1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.41Å; A44-I48 PolarHBondContact O-N 3.11Å; R45-I48 PolarHBondContact O-N 3.3Å; R45-I48 VanDerWaalsContact O-N 3.11Å; I48-K50 VanDerWaalsContact C-N 3.27Å; I48-K50 PolarHBondContact O-N 3.17Å; I48-Y52 HydrophobicContact CG2-CD2 4.42Å; I48-Y52 PolarHBondContact O-N 3.42Å; I48-L55 HydrophobicContact CB-CD1 4.43Å; I48-L55 HydrophobicContact CG1-CD1 3.85Å; I48-V85 HydrophobicContact CD1-CG1 4.25Å; I48-V85 HydrophobicContact CD1-CG2 4.44Å; I48-V85 HydrophobicContact CG1-CG1 4.04Å; I48-V85 HydrophobicContact CG1-CG2 4.43Å; I48-L88 HydrophobicContact CD1-CB 3.52Å; I48-L88 HydrophobicContact CD1-CD1 3.49Å; I48-L88 VanDerWaalsContact CD1-CD1 3.49Å; I48-L88 HydrophobicContact CD1-CG 4.14Å; I48-M89 HydrophobicContact CB-CE 4.08Å; I48-M89 HydrophobicContact CD1-CE 3.84Å; I48-M89 HydrophobicContact CG1-CE 3.6Å; I48-M89 HydrophobicContact CG2-CE 3.41Å; I48-M89 VanDerWaalsContact CG2-CE 3.41Å; I48-I92 HydrophobicContact CG2-CD1 4.05Å; I48-I100 HydrophobicContact CD1-CD1 4.47Å; I48-I100 HydrophobicContact CG2-CG2 3.73Å |
| 49 | E | 90.1 | Very high | 92 | Very high | 71 Ų | 71 | 68.9 Ų | 68.9 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.5 | -40 | 179.3 | -73.2 | 164.2 | -172.3 | 0 | 0 | 111.7 | R45 I100 | R45-E49 WeakPolarHBondContact O-CG 3.19Å; R45-E49 PolarHBondContact O-N 3.11Å; E49-I100 HydrophobicContact CG-CG2 4.15Å |
| 50 | K | 90.1 | Very high | 92 | Very high | 148 Ų | 148 | 71 Ų | 71 | 64% | 0.643 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -87.9 | -34.6 | -175.9 | -65.7 | -176.4 | 178.9 | -171.2 | 0 | 114 | V46 I48 | V46-K50 HydrophobicContact CG1-CD 4.35Å; V46-K50 PolarHBondContact O-N 3.04Å; I48-K50 VanDerWaalsContact C-N 3.27Å; I48-K50 PolarHBondContact O-N 3.17Å |
| 51 | Y | 91.7 | Very high | 92 | Very high | 91 Ų | 91 | 74.3 Ų | 74.3 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -126.9 | 34.2 | -166.6 | -59.1 | -78.2 | 0 | 0 | 0 | 113.6 | I47 T53 R54 L55 I69 | I47-Y51 WeakPolarHBondContact O-CB 3.43Å; I47-Y51 PolarHBondContact O-N 3.27Å; Y51-T53 VanDerWaalsContact C-N 3.26Å; Y51-T53 PolarHBondContact O-N 2.92Å; Y51-R54 PolarHBondContact O-N 3.34Å; Y51-R54 VanDerWaalsContact O-N 3.14Å; Y51-L55 WeakPolarHBondContact O-CG 3.46Å; Y51-I69 HydrophobicContact CD1-CD1 4.14Å; Y51-I69 HydrophobicContact CD2-CD1 3.9Å; Y51-I69 HydrophobicContact CD2-CG1 4.41Å; Y51-I69 HydrophobicContact CD2-CG2 3.59Å; Y51-I69 HydrophobicContact CE2-CD1 4.5Å; Y51-I69 HydrophobicContact CE2-CG2 3.34Å; Y51-I69 HydrophobicContact CG-CD1 3.68Å; Y51-I69 HydrophobicContact CG-CG1 4.4Å; Y51-I69 HydrophobicContact CG-CG2 4.38Å |
| 52 | Y | 89.6 | Confident | 92 | Very high | 82 Ų | 82 | 70.7 Ų | 70.7 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -51.4 | -42.3 | 180 | -176 | -105.3 | 0 | 0 | 0 | 113.5 | I48 R54 L55 M89 I92 I102 | I48-Y52 HydrophobicContact CG2-CD2 4.42Å; I48-Y52 PolarHBondContact O-N 3.42Å; Y52-R54 PolarHBondContact O-N 3.31Å; Y52-L55 PolarHBondContact O-N 2.99Å; Y52-M89 HydrophobicContact CD2-CE 3.76Å; Y52-M89 HydrophobicContact CD2-SD 4.14Å; Y52-M89 HydrophobicContact CE2-CE 3.85Å; Y52-M89 HydrophobicContact CE2-SD 3.75Å; Y52-I92 HydrophobicContact CE2-CD1 4.48Å; Y52-I92 HydrophobicContact CE2-CG2 4.26Å; Y52-I102 HydrophobicContact CD1-CG2 4.31Å; Y52-I102 HydrophobicContact CD2-CD1 4.14Å; Y52-I102 HydrophobicContact CE2-CD1 3.98Å; Y52-I102 HydrophobicContact CG-CG2 4.3Å |
| 53 | T | 90.2 | Very high | 92 | Very high | 134 Ų | 134 | 65 Ų | 65 | 82% | 0.822 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -65.6 | -22.7 | -176.7 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | Y51 | Y51-T53 VanDerWaalsContact C-N 3.26Å; Y51-T53 PolarHBondContact O-N 2.92Å |
| 54 | R | 89.4 | Confident | 92 | Very high | 121 Ų | 121 | 69.8 Ų | 69.8 | 46% | 0.457 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -95.8 | -4.5 | -179.4 | -60.7 | -173.4 | 68.9 | -162.5 | -5.1 | 112.8 | Y51 Y52 V65 E68 | Y51-R54 PolarHBondContact O-N 3.34Å; Y51-R54 VanDerWaalsContact O-N 3.14Å; Y52-R54 PolarHBondContact O-N 3.31Å; R54-V65 HydrophobicContact CB-CG1 4.27Å; R54-E68 IonicContact CZ-OE2 2.73Å; R54-E68 IonicContact NH2-OE2 3.8Å; R54-E68 PolarHBondContact NH2-OE2 2.97Å |
| 55 | L | 90.4 | Very high | 92 | Very high | 21 Ų | 21 | 70.7 Ų | 70.7 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | trans | -100.3 | 145.8 | -175.9 | -65.7 | 171.2 | 0 | 0 | 0 | 111.1 | I47 I48 Y51 Y52 V65 V85 M89 | I47-L55 HydrophobicContact CG2-CD1 4.27Å; I48-L55 HydrophobicContact CB-CD1 4.43Å; I48-L55 HydrophobicContact CG1-CD1 3.85Å; Y51-L55 WeakPolarHBondContact O-CG 3.46Å; Y52-L55 PolarHBondContact O-N 2.99Å; L55-V65 HydrophobicContact CD2-CG1 3.98Å; L55-V85 HydrophobicContact CD1-CG1 3.86Å; L55-V85 HydrophobicContact CD2-CG1 3.9Å; L55-V85 HydrophobicContact CG-CG1 4.38Å; L55-M89 HydrophobicContact CB-SD 4.35Å; L55-M89 HydrophobicContact CD1-CE 4.19Å | ||
| 56 | G | 90.6 | Very high | 92 | Very high | 27 Ų | 27 | 67.5 Ų | 67.5 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | trans | -127.9 | -168.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N62 | G56-N62 PolarHBondContact N-OD1 3.22Å; G56-N62 PolarHBondContact O-ND2 3.48Å | ||
| 57 | N | 91.4 | Very high | 92 | Very high | 64 Ų | 64 | 69.2 Ų | 69.2 | 34% | 0.342 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -83.7 | -22.5 | 175.8 | -75 | -10.2 | 0 | 0 | 0 | 113 | Q93 | N57-Q93 VanDerWaalsContact CG-NE2 3.29Å; N57-Q93 PolarHBondContact ND2-NE2 3.36Å; N57-Q93 PolarHBondContact ND2-OE1 2.99Å; N57-Q93 PolarHBondContact OD1-NE2 3.38Å |
| 58 | D | 93.8 | Very high | 92 | Very high | 106 Ų | 106 | 74.8 Ų | 74.8 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | trans | -80.3 | 140.5 | -174.2 | -62 | -60.7 | 0 | 0 | 0 | 112.9 | T61 N62 | D58-T61 HydrophobicContact CB-CG2 4.38Å; D58-T61 WeakPolarHBondContact CB-OG1 3.24Å; D58-T61 PolarHBondContact O-OG1 3.07Å; D58-N62 WeakPolarHBondContact O-CB 3.23Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 3.13Å; D58-N62 PolarHBondContact O-ND2 2.81Å | ||
| 59 | F | 94.1 | Very high | 91.8 | Very high | 71 Ų | 71 | 76.6 Ų | 76.6 | 31% | 0.311 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -74.4 | -37.9 | -178.9 | 176.4 | -102.6 | 0 | 0 | 0 | 112.6 | K63 N79 A82 T86 | F59-K63 HydrophobicContact CE1-CD 4.35Å; F59-K63 VanDerWaalsContact O-CB 3.28Å; F59-K63 WeakPolarHBondContact O-CB 3.18Å; F59-K63 PolarHBondContact O-N 3.02Å; F59-N79 HydrophobicContact CZ-CB 4.33Å; F59-A82 HydrophobicContact CD2-CB 4.38Å; F59-A82 HydrophobicContact CE2-CB 3.95Å; F59-T86 HydrophobicContact CB-CG2 4.3Å; F59-T86 HydrophobicContact CD2-CG2 4.48Å |
| 60 | H | 93.4 | Very high | 91.8 | Very high | 137 Ų | 137 | 74.7 Ų | 74.7 | 63% | 0.634 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.5 | -39.9 | -173.4 | -70.3 | -90.2 | 0 | 0 | 0 | 112.3 | R64 | H60-R64 PolarHBondContact O-N 3.26Å |
| 61 | T | 93.4 | Very high | 91.9 | Very high | 72 Ų | 72 | 76 Ų | 76 | 44% | 0.442 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.7 | -52.1 | 175 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | D58 K63 R64 V65 | D58-T61 HydrophobicContact CB-CG2 4.38Å; D58-T61 WeakPolarHBondContact CB-OG1 3.24Å; D58-T61 PolarHBondContact O-OG1 3.07Å; T61-K63 PolarHBondContact O-N 3.41Å; T61-K63 VanDerWaalsContact O-N 3.16Å; T61-R64 WeakPolarHBondContact O-CB 3.35Å; T61-R64 PolarHBondContact O-N 3.49Å; T61-V65 WeakPolarHBondContact O-CG2 3.3Å; T61-V65 PolarHBondContact O-N 3.48Å |
| 62 | N | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.7 | -31.3 | 178.9 | -73.4 | -11.2 | 0 | 0 | 0 | 113 | G56 D58 R64 C66 T86 | G56-N62 PolarHBondContact N-OD1 3.22Å; G56-N62 PolarHBondContact O-ND2 3.48Å; D58-N62 WeakPolarHBondContact O-CB 3.23Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 3.13Å; D58-N62 PolarHBondContact O-ND2 2.81Å; N62-R64 VanDerWaalsContact C-N 3.35Å; N62-C66 WeakPolarHBondContact O-CB 3.39Å; N62-C66 PolarHBondContact O-N 2.87Å; N62-C66 PolarHBondContact O-SG 3.08Å; N62-T86 HydrophobicContact CB-CG2 4.32Å; N62-T86 VanDerWaalsContact ND2-CG2 3.31Å; N62-T86 WeakPolarHBondContact ND2-CG2 3.45Å |
| 63 | K | 93.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 75.8 Ų | 75.8 | 17% | 0.174 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 174.3 | -174.1 | -173.5 | 72.8 | -176.4 | 0 | 112.3 | F59 T61 E67 R78 A82 | F59-K63 HydrophobicContact CE1-CD 4.35Å; F59-K63 VanDerWaalsContact O-CB 3.28Å; F59-K63 WeakPolarHBondContact O-CB 3.18Å; F59-K63 PolarHBondContact O-N 3.02Å; T61-K63 PolarHBondContact O-N 3.41Å; T61-K63 VanDerWaalsContact O-N 3.16Å; K63-E67 PolarHBondContact O-N 3.37Å; K63-R78 HydrophobicContact CG-CG 4.46Å; K63-A82 HydrophobicContact CB-CB 4.26Å |
| 64 | R | 93.6 | Very high | 92.1 | Very high | 141 Ų | 141 | 71.3 Ų | 71.3 | 53% | 0.532 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -72.1 | -44.9 | 175.9 | -62.7 | -58.4 | -174.4 | -179.8 | 9.7 | 111 | H60 T61 N62 C66 E67 E68 | H60-R64 PolarHBondContact O-N 3.26Å; T61-R64 WeakPolarHBondContact O-CB 3.35Å; T61-R64 PolarHBondContact O-N 3.49Å; N62-R64 VanDerWaalsContact C-N 3.35Å; R64-C66 VanDerWaalsContact C-N 3.3Å; R64-C66 PolarHBondContact O-N 3.47Å; R64-E67 IonicContact NH1-OE2 3.28Å; R64-E67 PolarHBondContact NH1-OE2 3.11Å; R64-E67 WeakPolarHBondContact O-CA 3.26Å; R64-E67 VanDerWaalsContact O-CB 3.29Å; R64-E67 WeakPolarHBondContact O-CB 3.38Å; R64-E67 PolarHBondContact O-N 3.15Å; R64-E68 PolarHBondContact O-N 2.93Å; R64-E68 VanDerWaalsContact O-N 3.13Å |
| 65 | V | 93.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 72.6 Ų | 72.6 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 176.5 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | R54 L55 T61 E67 E68 I69 | R54-V65 HydrophobicContact CB-CG1 4.27Å; L55-V65 HydrophobicContact CD2-CG1 3.98Å; T61-V65 WeakPolarHBondContact O-CG2 3.3Å; T61-V65 PolarHBondContact O-N 3.48Å; V65-E67 VanDerWaalsContact C-N 3.27Å; V65-E67 PolarHBondContact O-N 2.9Å; V65-E68 PolarHBondContact O-N 3.31Å; V65-I69 HydrophobicContact CG1-CD1 3.37Å; V65-I69 HydrophobicContact CG1-CG1 4.26Å; V65-I69 WeakPolarHBondContact O-CB 3.45Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.49Å; V65-I69 PolarHBondContact O-N 3.43Å |
| 66 | C | 93 | Very high | 92.2 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.8 | -23.8 | 174.8 | -69.4 | 0 | 0 | 0 | 0 | 113.9 | N62 R64 A70 | N62-C66 WeakPolarHBondContact O-CB 3.39Å; N62-C66 PolarHBondContact O-N 2.87Å; N62-C66 PolarHBondContact O-SG 3.08Å; R64-C66 VanDerWaalsContact C-N 3.3Å; R64-C66 PolarHBondContact O-N 3.47Å; C66-A70 PolarHBondContact O-N 3.41Å |
| 67 | E | 92.2 | Very high | 92.3 | Very high | 94 Ų | 94 | 77 Ų | 77 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -76.9 | -32.1 | 176.4 | -175 | 165 | -143.5 | 0 | 0 | 111.2 | K63 R64 V65 R78 | K63-E67 PolarHBondContact O-N 3.37Å; R64-E67 IonicContact NH1-OE2 3.28Å; R64-E67 PolarHBondContact NH1-OE2 3.11Å; R64-E67 WeakPolarHBondContact O-CA 3.26Å; R64-E67 VanDerWaalsContact O-CB 3.29Å; R64-E67 WeakPolarHBondContact O-CB 3.38Å; R64-E67 PolarHBondContact O-N 3.15Å; V65-E67 VanDerWaalsContact C-N 3.27Å; V65-E67 PolarHBondContact O-N 2.9Å; E67-R78 IonicContact OE1-NH1 2.76Å; E67-R78 PolarHBondContact OE1-NH1 3.42Å; E67-R78 IonicContact OE2-NH1 3.26Å; E67-R78 PolarHBondContact OE2-NH1 3.21Å |
| 68 | E | 91.2 | Very high | 92.4 | Very high | 130 Ų | 130 | 75.8 Ų | 75.8 | 61% | 0.607 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -78.9 | -40.8 | 175.5 | -66.7 | 170 | -158.8 | 0 | 0 | 112.9 | R54 R64 V65 | R54-E68 IonicContact CZ-OE2 2.73Å; R54-E68 IonicContact NH2-OE2 3.8Å; R54-E68 PolarHBondContact NH2-OE2 2.97Å; R64-E68 PolarHBondContact O-N 2.93Å; R64-E68 VanDerWaalsContact O-N 3.13Å; V65-E68 PolarHBondContact O-N 3.31Å |
| 69 | I | 89.6 | Confident | 92.5 | Very high | 38 Ų | 38 | 73.3 Ų | 73.3 | 20% | 0.195 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -78.6 | -35.6 | -172.1 | -68.3 | 170.7 | 0 | 0 | 0 | 112.4 | Y51 V65 | Y51-I69 HydrophobicContact CD1-CD1 4.14Å; Y51-I69 HydrophobicContact CD2-CD1 3.9Å; Y51-I69 HydrophobicContact CD2-CG1 4.41Å; Y51-I69 HydrophobicContact CD2-CG2 3.59Å; Y51-I69 HydrophobicContact CE2-CD1 4.5Å; Y51-I69 HydrophobicContact CE2-CG2 3.34Å; Y51-I69 HydrophobicContact CG-CD1 3.68Å; Y51-I69 HydrophobicContact CG-CG1 4.4Å; Y51-I69 HydrophobicContact CG-CG2 4.38Å; V65-I69 HydrophobicContact CG1-CD1 3.37Å; V65-I69 HydrophobicContact CG1-CG1 4.26Å; V65-I69 WeakPolarHBondContact O-CB 3.45Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.49Å; V65-I69 PolarHBondContact O-N 3.43Å |
| 70 | A | 88.6 | Confident | 92.5 | Very high | 31 Ų | 31 | 75.5 Ų | 75.5 | 26% | 0.256 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -132.3 | 134.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C66 I72 | C66-A70 PolarHBondContact O-N 3.41Å; A70-I72 HydrophobicContact CB-CD1 4.3Å; A70-I72 HydrophobicContact CB-CG1 4.04Å; A70-I72 PolarHBondContact O-N 3.41Å |
| 71 | I | 92.5 | Very high | 92.5 | Very high | 177 Ų | 177 | 69.4 Ų | 69.4 | 91% | 0.908 | 36% | 0.355 | S | S | * | . | trans | -75.2 | 91.6 | 172.7 | -56.1 | 169.3 | 0 | 0 | 0 | 107.9 | ||||
| 72 | I | 91.1 | Very high | 92.6 | Very high | 44 Ų | 44 | 66 Ų | 66 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | trans | -101.1 | 117.4 | 178.1 | -59.1 | 172.1 | 0 | 0 | 0 | 108.8 | A70 S74 L77 R78 | A70-I72 HydrophobicContact CB-CD1 4.3Å; A70-I72 HydrophobicContact CB-CG1 4.04Å; A70-I72 PolarHBondContact O-N 3.41Å; I72-S74 VanDerWaalsContact C-N 3.32Å; I72-S74 PolarHBondContact O-N 3.06Å; I72-L77 HydrophobicContact CG2-CB 3.88Å; I72-R78 HydrophobicContact CB-CB 4.4Å; I72-R78 HydrophobicContact CD1-CB 4.22Å; I72-R78 HydrophobicContact CD1-CG 4.26Å; I72-R78 HydrophobicContact CG2-CB 3.97Å | ||
| 73 | P | 91 | Very high | 92.7 | Very high | 123 Ų | 123 | 66.6 Ų | 66.6 | 80% | 0.799 | 34% | 0.34 | S | S | * | . | trans | -72.9 | -21.6 | -168.9 | 27.8 | -36 | 0 | 0 | 0 | 113.9 | ||||
| 74 | S | 93.3 | Very high | 92.7 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | trans | -132.7 | 137.9 | -175.2 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | I72 P76 L77 R78 | I72-S74 VanDerWaalsContact C-N 3.32Å; I72-S74 PolarHBondContact O-N 3.06Å; S74-P76 VanDerWaalsContact C-CD 3.49Å; S74-L77 PolarHBondContact O-N 3.07Å; S74-L77 VanDerWaalsContact O-N 3.15Å; S74-L77 WeakPolarHBondContact OG-CB 3.45Å; S74-L77 VanDerWaalsContact OG-CD1 3.25Å; S74-L77 WeakPolarHBondContact OG-CD1 3.31Å; S74-L77 WeakPolarHBondContact OG-CG 3.25Å; S74-R78 PolarHBondContact O-N 2.89Å; S74-R78 VanDerWaalsContact O-N 3.07Å | ||
| 75 | K | 91.8 | Very high | 92.7 | Very high | 148 Ų | 148 | 58.9 Ų | 58.9 | 64% | 0.643 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -50 | -46.1 | 175.2 | -178 | 178.9 | 178.8 | -175.8 | 0 | 114.1 | L77 R78 N79 | K75-L77 VanDerWaalsContact C-N 3.35Å; K75-L77 PolarHBondContact O-N 3.16Å; K75-R78 PolarHBondContact O-N 3.24Å; K75-N79 VanDerWaalsContact O-CG 3.23Å; K75-N79 PolarHBondContact O-N 3.35Å; K75-N79 VanDerWaalsContact O-N 3.09Å; K75-N79 PolarHBondContact O-OD1 3.16Å |
| 76 | P | 91.6 | Very high | 92.8 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.8 | -32.5 | -180 | 26 | -35.1 | 0 | 0 | 0 | 112.9 | S74 K80 | S74-P76 VanDerWaalsContact C-CD 3.49Å; P76-K80 VanDerWaalsContact O-CG 3.31Å; P76-K80 WeakPolarHBondContact O-CG 3.4Å; P76-K80 PolarHBondContact O-N 2.81Å; P76-K80 VanDerWaalsContact O-N 3.09Å |
| 77 | L | 92.7 | Very high | 92.8 | Very high | 67 Ų | 67 | 63 Ų | 63 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.5 | -44.9 | 175.5 | -69.9 | 178.2 | 0 | 0 | 0 | 111 | I72 S74 K75 N79 K80 V81 | I72-L77 HydrophobicContact CG2-CB 3.88Å; S74-L77 PolarHBondContact O-N 3.07Å; S74-L77 VanDerWaalsContact O-N 3.15Å; S74-L77 WeakPolarHBondContact OG-CB 3.45Å; S74-L77 VanDerWaalsContact OG-CD1 3.25Å; S74-L77 WeakPolarHBondContact OG-CD1 3.31Å; S74-L77 WeakPolarHBondContact OG-CG 3.25Å; K75-L77 VanDerWaalsContact C-N 3.35Å; K75-L77 PolarHBondContact O-N 3.16Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 3.08Å; L77-K80 PolarHBondContact O-N 3.36Å; L77-K80 VanDerWaalsContact O-N 3.14Å; L77-V81 WeakPolarHBondContact O-CG2 3.29Å; L77-V81 PolarHBondContact O-N 3.39Å |
| 78 | R | 93.8 | Very high | 92.8 | Very high | 38 Ų | 38 | 58.6 Ų | 58.6 | 14% | 0.143 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.6 | -46.3 | 175.3 | -177.3 | -172.5 | 64.1 | -166 | 0.1 | 111.5 | K63 E67 I72 S74 K75 K80 V81 A82 | K63-R78 HydrophobicContact CG-CG 4.46Å; E67-R78 IonicContact OE1-NH1 2.76Å; E67-R78 PolarHBondContact OE1-NH1 3.42Å; E67-R78 IonicContact OE2-NH1 3.26Å; E67-R78 PolarHBondContact OE2-NH1 3.21Å; I72-R78 HydrophobicContact CB-CB 4.4Å; I72-R78 HydrophobicContact CD1-CB 4.22Å; I72-R78 HydrophobicContact CD1-CG 4.26Å; I72-R78 HydrophobicContact CG2-CB 3.97Å; S74-R78 PolarHBondContact O-N 2.89Å; S74-R78 VanDerWaalsContact O-N 3.07Å; K75-R78 PolarHBondContact O-N 3.24Å; R78-K80 PolarHBondContact O-N 3.03Å; R78-V81 PolarHBondContact O-N 3.32Å; R78-A82 WeakPolarHBondContact O-CB 3.39Å; R78-A82 PolarHBondContact O-N 3.21Å |
| 79 | N | 94.4 | Very high | 92.9 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 179.8 | -66.7 | -7.1 | 0 | 0 | 0 | 112.3 | F59 K75 L77 G83 | F59-N79 HydrophobicContact CZ-CB 4.33Å; K75-N79 VanDerWaalsContact O-CG 3.23Å; K75-N79 PolarHBondContact O-N 3.35Å; K75-N79 VanDerWaalsContact O-N 3.09Å; K75-N79 PolarHBondContact O-OD1 3.16Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 3.08Å; N79-G83 PolarHBondContact O-N 2.95Å |
| 80 | K | 94.3 | Very high | 93 | Very high | 117 Ų | 117 | 56.3 Ų | 56.3 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 175.9 | -74.5 | 174.1 | -177 | 180 | 0 | 112.1 | V40 P76 L77 R78 Y84 | V40-K80 HydrophobicContact CG1-CB 4.13Å; V40-K80 WeakPolarHBondContact CG1-O 3.48Å; V40-K80 HydrophobicContact CG2-CB 4.1Å; P76-K80 VanDerWaalsContact O-CG 3.31Å; P76-K80 WeakPolarHBondContact O-CG 3.4Å; P76-K80 PolarHBondContact O-N 2.81Å; P76-K80 VanDerWaalsContact O-N 3.09Å; L77-K80 PolarHBondContact O-N 3.36Å; L77-K80 VanDerWaalsContact O-N 3.14Å; R78-K80 PolarHBondContact O-N 3.03Å; K80-Y84 WeakPolarHBondContact O-CB 3.24Å; K80-Y84 PolarHBondContact O-N 2.95Å; K80-Y84 VanDerWaalsContact O-N 3.08Å |
| 81 | V | 94.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -56.3 | 177 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | V40 I47 L77 R78 G83 Y84 V85 | V40-V81 HydrophobicContact CG1-CG2 4.09Å; I47-V81 HydrophobicContact CD1-CG1 3.8Å; L77-V81 WeakPolarHBondContact O-CG2 3.29Å; L77-V81 PolarHBondContact O-N 3.39Å; R78-V81 PolarHBondContact O-N 3.32Å; V81-G83 PolarHBondContact O-N 3.32Å; V81-Y84 PolarHBondContact O-N 3.46Å; V81-V85 HydrophobicContact CG1-CG2 4.39Å; V81-V85 WeakPolarHBondContact O-CG2 3.46Å; V81-V85 PolarHBondContact O-N 3.33Å |
| 82 | A | 95 | Very high | 93 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.4 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F59 K63 R78 Y84 V85 T86 | F59-A82 HydrophobicContact CD2-CB 4.38Å; F59-A82 HydrophobicContact CE2-CB 3.95Å; K63-A82 HydrophobicContact CB-CB 4.26Å; R78-A82 WeakPolarHBondContact O-CB 3.39Å; R78-A82 PolarHBondContact O-N 3.21Å; A82-Y84 VanDerWaalsContact C-N 3.3Å; A82-Y84 PolarHBondContact O-N 3.37Å; A82-V85 PolarHBondContact O-N 2.75Å; A82-T86 WeakPolarHBondContact O-CG2 3.46Å; A82-T86 PolarHBondContact O-N 3.22Å; A82-T86 PolarHBondContact O-OG1 3.22Å |
| 83 | G | 95.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75 | -12.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | R36 N79 V81 T86 | R36-G83 PolarHBondContact NH2-O 3.35Å; N79-G83 PolarHBondContact O-N 2.95Å; V81-G83 PolarHBondContact O-N 3.32Å; G83-T86 PolarHBondContact O-OG1 3Å |
| 84 | Y | 94.6 | Very high | 92.8 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -92.8 | -33.9 | 168.6 | -165.9 | -122.9 | 0 | 0 | 0 | 111.3 | K41 A44 K80 V81 A82 H87 L88 | K41-Y84 HydrophobicContact CB-CD1 4.37Å; K41-Y84 HydrophobicContact CB-CE1 3.75Å; K41-Y84 HydrophobicContact CG-CD1 4.15Å; K41-Y84 HydrophobicContact CG-CE1 3.55Å; K41-Y84 HydrophobicContact CG-CE2 4.41Å; A44-Y84 HydrophobicContact CB-CD1 3.62Å; A44-Y84 HydrophobicContact CB-CE1 4.44Å; A44-Y84 HydrophobicContact CB-CG 4.48Å; K80-Y84 WeakPolarHBondContact O-CB 3.24Å; K80-Y84 PolarHBondContact O-N 2.95Å; K80-Y84 VanDerWaalsContact O-N 3.08Å; V81-Y84 PolarHBondContact O-N 3.46Å; A82-Y84 VanDerWaalsContact C-N 3.3Å; A82-Y84 PolarHBondContact O-N 3.37Å; Y84-H87 WeakPolarHBondContact O-CB 3.45Å; Y84-H87 PolarHBondContact O-N 2.79Å; Y84-L88 HydrophobicContact CD1-CD1 3.92Å; Y84-L88 HydrophobicContact CD1-CG 4.38Å; Y84-L88 HydrophobicContact CE1-CD1 3.66Å; Y84-L88 HydrophobicContact CE1-CD2 4.41Å; Y84-L88 HydrophobicContact CE1-CG 4.11Å; Y84-L88 WeakPolarHBondContact O-CG 3.29Å; Y84-L88 PolarHBondContact O-N 2.8Å |
| 85 | V | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -48.7 | 172.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | A44 I48 L55 V81 A82 H87 L88 M89 | A44-V85 HydrophobicContact CB-CG2 3.72Å; I48-V85 HydrophobicContact CD1-CG1 4.25Å; I48-V85 HydrophobicContact CD1-CG2 4.44Å; I48-V85 HydrophobicContact CG1-CG1 4.04Å; I48-V85 HydrophobicContact CG1-CG2 4.43Å; L55-V85 HydrophobicContact CD1-CG1 3.86Å; L55-V85 HydrophobicContact CD2-CG1 3.9Å; L55-V85 HydrophobicContact CG-CG1 4.38Å; V81-V85 HydrophobicContact CG1-CG2 4.39Å; V81-V85 WeakPolarHBondContact O-CG2 3.46Å; V81-V85 PolarHBondContact O-N 3.33Å; A82-V85 PolarHBondContact O-N 2.75Å; V85-H87 VanDerWaalsContact C-N 3.27Å; V85-H87 PolarHBondContact O-N 3.14Å; V85-L88 PolarHBondContact O-N 3.18Å; V85-L88 VanDerWaalsContact O-N 3.1Å; V85-M89 WeakPolarHBondContact O-CG 3.36Å; V85-M89 PolarHBondContact O-N 3.39Å |
| 86 | T | 94.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -37.1 | 175.3 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | F59 N62 A82 G83 L88 M89 K90 | F59-T86 HydrophobicContact CB-CG2 4.3Å; F59-T86 HydrophobicContact CD2-CG2 4.48Å; N62-T86 HydrophobicContact CB-CG2 4.32Å; N62-T86 VanDerWaalsContact ND2-CG2 3.31Å; N62-T86 WeakPolarHBondContact ND2-CG2 3.45Å; A82-T86 WeakPolarHBondContact O-CG2 3.46Å; A82-T86 PolarHBondContact O-N 3.22Å; A82-T86 PolarHBondContact O-OG1 3.22Å; G83-T86 PolarHBondContact O-OG1 3Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-M89 PolarHBondContact O-N 3.24Å; T86-K90 WeakPolarHBondContact O-CG 3.43Å; T86-K90 PolarHBondContact O-N 3.24Å |
| 87 | H | 92.7 | Very high | 92.1 | Very high | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 177.2 | -176.6 | 69.2 | 0 | 0 | 0 | 111.8 | Y84 V85 R91 | Y84-H87 WeakPolarHBondContact O-CB 3.45Å; Y84-H87 PolarHBondContact O-N 2.79Å; V85-H87 VanDerWaalsContact C-N 3.27Å; V85-H87 PolarHBondContact O-N 3.14Å; H87-R91 WeakPolarHBondContact O-CG 3.47Å; H87-R91 PolarHBondContact O-N 3.11Å |
| 88 | L | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71 | -39.4 | 175.3 | -71 | 175.4 | 0 | 0 | 0 | 111.9 | A44 R45 I48 Y84 V85 T86 K90 R91 I92 V97 I100 | A44-L88 HydrophobicContact CB-CD1 4.46Å; R45-L88 HydrophobicContact CG-CD1 4.37Å; I48-L88 HydrophobicContact CD1-CB 3.52Å; I48-L88 HydrophobicContact CD1-CD1 3.49Å; I48-L88 VanDerWaalsContact CD1-CD1 3.49Å; I48-L88 HydrophobicContact CD1-CG 4.14Å; Y84-L88 HydrophobicContact CD1-CD1 3.92Å; Y84-L88 HydrophobicContact CD1-CG 4.38Å; Y84-L88 HydrophobicContact CE1-CD1 3.66Å; Y84-L88 HydrophobicContact CE1-CD2 4.41Å; Y84-L88 HydrophobicContact CE1-CG 4.11Å; Y84-L88 WeakPolarHBondContact O-CG 3.29Å; Y84-L88 PolarHBondContact O-N 2.8Å; V85-L88 PolarHBondContact O-N 3.18Å; V85-L88 VanDerWaalsContact O-N 3.1Å; T86-L88 VanDerWaalsContact C-N 3.34Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 3.03Å; L88-R91 WeakPolarHBondContact O-CA 3.34Å; L88-R91 WeakPolarHBondContact O-CB 3.31Å; L88-R91 PolarHBondContact O-N 3.11Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.42Å; L88-V97 HydrophobicContact CD2-CG1 4.2Å; L88-I100 HydrophobicContact CB-CD1 4.41Å; L88-I100 HydrophobicContact CD1-CD1 3.98Å; L88-I100 HydrophobicContact CD2-CD1 4.14Å; L88-I100 HydrophobicContact CG-CD1 4.4Å |
| 89 | M | 91.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 175.2 | -72.7 | -63 | 123.7 | 0 | 0 | 112.4 | I48 Y52 L55 V85 T86 R91 I92 Q93 | I48-M89 HydrophobicContact CB-CE 4.08Å; I48-M89 HydrophobicContact CD1-CE 3.84Å; I48-M89 HydrophobicContact CG1-CE 3.6Å; I48-M89 HydrophobicContact CG2-CE 3.41Å; I48-M89 VanDerWaalsContact CG2-CE 3.41Å; Y52-M89 HydrophobicContact CD2-CE 3.76Å; Y52-M89 HydrophobicContact CD2-SD 4.14Å; Y52-M89 HydrophobicContact CE2-CE 3.85Å; Y52-M89 HydrophobicContact CE2-SD 3.75Å; L55-M89 HydrophobicContact CB-SD 4.35Å; L55-M89 HydrophobicContact CD1-CE 4.19Å; V85-M89 WeakPolarHBondContact O-CG 3.36Å; V85-M89 PolarHBondContact O-N 3.39Å; T86-M89 PolarHBondContact O-N 3.24Å; M89-R91 PolarHBondContact O-N 3.29Å; M89-I92 HydrophobicContact CE-CD1 3.53Å; M89-I92 PolarHBondContact O-N 3.26Å; M89-I92 HydrophobicContact SD-CD1 4.3Å; M89-Q93 PolarHBondContact O-N 3Å; M89-Q93 VanDerWaalsContact O-N 3.11Å |
| 90 | K | 92.1 | Very high | 90.7 | Very high | 114 Ų | 114 | 61.7 Ų | 61.7 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.2 | -27.5 | 175.1 | -69.2 | -176.9 | -179.5 | -168.9 | 0 | 113.6 | T86 L88 | T86-K90 WeakPolarHBondContact O-CG 3.43Å; T86-K90 PolarHBondContact O-N 3.24Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 3.03Å |
| 91 | R | 92.5 | Very high | 89.9 | Confident | 100 Ų | 100 | 59 Ų | 59 | 38% | 0.377 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -79.5 | -40.3 | 176.2 | -71.8 | 177.8 | 64.3 | -148.5 | 0.1 | 111.5 | H87 L88 M89 Q93 R94 G95 V97 | H87-R91 WeakPolarHBondContact O-CG 3.47Å; H87-R91 PolarHBondContact O-N 3.11Å; L88-R91 WeakPolarHBondContact O-CA 3.34Å; L88-R91 WeakPolarHBondContact O-CB 3.31Å; L88-R91 PolarHBondContact O-N 3.11Å; M89-R91 PolarHBondContact O-N 3.29Å; R91-Q93 VanDerWaalsContact C-N 3.26Å; R91-Q93 PolarHBondContact O-N 3.02Å; R91-R94 PolarHBondContact O-N 3.37Å; R91-G95 PolarHBondContact O-N 3.06Å; R91-G95 VanDerWaalsContact O-N 3.09Å; R91-V97 HydrophobicContact CB-CG2 3.62Å |
| 92 | I | 90.1 | Very high | 89.3 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 176.8 | -69 | 159.3 | 0 | 0 | 0 | 110.5 | I48 Y52 L88 M89 R94 G95 V97 I100 I102 | I48-I92 HydrophobicContact CG2-CD1 4.05Å; Y52-I92 HydrophobicContact CE2-CD1 4.48Å; Y52-I92 HydrophobicContact CE2-CG2 4.26Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.42Å; M89-I92 HydrophobicContact CE-CD1 3.53Å; M89-I92 PolarHBondContact O-N 3.26Å; M89-I92 HydrophobicContact SD-CD1 4.3Å; I92-R94 PolarHBondContact O-N 2.88Å; I92-G95 WeakPolarHBondContact CA-O 3.46Å; I92-G95 PolarHBondContact O-N 3.09Å; I92-V97 HydrophobicContact CG1-CB 4.37Å; I92-V97 HydrophobicContact CG1-CG2 3.82Å; I92-I100 HydrophobicContact CD1-CD1 4.38Å; I92-I102 HydrophobicContact CB-CD1 4.49Å; I92-I102 HydrophobicContact CD1-CD1 3.8Å; I92-I102 HydrophobicContact CG1-CD1 4.04Å; I92-I102 HydrophobicContact CG2-CD1 3.6Å |
| 93 | Q | 87.1 | Confident | 88.5 | Confident | 118 Ų | 118 | 67 Ų | 67 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.8 | 175.4 | -78.8 | 165.3 | 3 | 0 | 0 | 114.2 | N57 M89 R91 | N57-Q93 VanDerWaalsContact CG-NE2 3.29Å; N57-Q93 PolarHBondContact ND2-NE2 3.36Å; N57-Q93 PolarHBondContact ND2-OE1 2.99Å; N57-Q93 PolarHBondContact OD1-NE2 3.38Å; M89-Q93 PolarHBondContact O-N 3Å; M89-Q93 VanDerWaalsContact O-N 3.11Å; R91-Q93 VanDerWaalsContact C-N 3.26Å; R91-Q93 PolarHBondContact O-N 3.02Å |
| 94 | R | 89.3 | Confident | 87.6 | Confident | 227 Ų | 227 | 71.5 Ų | 71.5 | 86% | 0.857 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -20.8 | 179.3 | -66 | 175.7 | -176.9 | -175.6 | -3.5 | 112.7 | R91 I92 | R91-R94 PolarHBondContact O-N 3.37Å; I92-R94 PolarHBondContact O-N 2.88Å |
| 95 | G | 86.9 | Confident | 86.8 | Confident | 27 Ų | 27 | 73 Ų | 73 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 163.8 | 176 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R91 I92 V97 | R91-G95 PolarHBondContact O-N 3.06Å; R91-G95 VanDerWaalsContact O-N 3.09Å; I92-G95 WeakPolarHBondContact CA-O 3.46Å; I92-G95 PolarHBondContact O-N 3.09Å; G95-V97 PolarHBondContact O-N 3.47Å |
| 96 | P | 89.2 | Confident | 86 | Confident | 113 Ų | 113 | 77.6 Ų | 77.6 | 73% | 0.734 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 132.5 | -178.2 | 26.3 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 97 | V | 86.9 | Confident | 85.3 | Confident | 8 Ų | 8 | 82 Ų | 82 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -102 | 123.1 | -179.8 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | L88 R91 I92 G95 G99 I100 | L88-V97 HydrophobicContact CD2-CG1 4.2Å; R91-V97 HydrophobicContact CB-CG2 3.62Å; I92-V97 HydrophobicContact CG1-CB 4.37Å; I92-V97 HydrophobicContact CG1-CG2 3.82Å; G95-V97 PolarHBondContact O-N 3.47Å; V97-G99 PolarHBondContact O-N 3.18Å; V97-I100 HydrophobicContact CB-CD1 4.15Å; V97-I100 HydrophobicContact CG1-CD1 3.82Å; V97-I100 HydrophobicContact CG1-CG1 4.32Å; V97-I100 PolarHBondContact O-N 3.33Å |
| 98 | R | 83.7 | Confident | 84.7 | Confident | 232 Ų | 232 | 83.7 Ų | 83.7 | 88% | 0.875 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 130.4 | 178.1 | -61.9 | -175.7 | -179.9 | -177.3 | -0.2 | 112 | R45 | R45-R98 PolarHBondContact NH1-O 3.35Š|
| 99 | G | 81.8 | Confident | 84.1 | Confident | 57 Ų | 57 | 92 Ų | 92 | 59% | 0.588 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 33.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R45 V97 | R45-G99 VanDerWaalsContact NH1-C 3.31Å; R45-G99 PolarHBondContact NH1-O 3.22Å; V97-G99 PolarHBondContact O-N 3.18Å |
| 100 | I | 85.1 | Confident | 83.5 | Confident | 11 Ų | 11 | 97.5 Ų | 97.5 | 6% | 0.056 | 46% | 0.463 | C | S | . | . | trans | -135.2 | 117.9 | 164.7 | -57.2 | 178.8 | 0 | 0 | 0 | 105.1 | R45 I48 E49 L88 I92 V97 I102 | R45-I100 HydrophobicContact CG-CG1 4.19Å; I48-I100 HydrophobicContact CD1-CD1 4.47Å; I48-I100 HydrophobicContact CG2-CG2 3.73Å; E49-I100 HydrophobicContact CG-CG2 4.15Å; L88-I100 HydrophobicContact CB-CD1 4.41Å; L88-I100 HydrophobicContact CD1-CD1 3.98Å; L88-I100 HydrophobicContact CD2-CD1 4.14Å; L88-I100 HydrophobicContact CG-CD1 4.4Å; I92-I100 HydrophobicContact CD1-CD1 4.38Å; V97-I100 HydrophobicContact CB-CD1 4.15Å; V97-I100 HydrophobicContact CG1-CD1 3.82Å; V97-I100 HydrophobicContact CG1-CG1 4.32Å; V97-I100 PolarHBondContact O-N 3.33Å; I100-I102 HydrophobicContact CG2-CD1 4.41Å; I100-I102 HydrophobicContact CG2-CG1 3.86Å | ||
| 101 | S | 78.2 | Confident | 83.1 | Confident | 59 Ų | 59 | 101.1 Ų | 101.1 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | trans | -86.9 | 117.1 | 167.9 | 40.7 | 0 | 0 | 0 | 0 | 108.5 | E106 | S101-E106 WeakPolarHBondContact CB-OE1 3.28Š| ||
| 102 | I | 82.3 | Confident | 82.7 | Confident | 11 Ų | 11 | 105.5 Ų | 105.5 | 6% | 0.056 | 49% | 0.49 | C | S | . | . | trans | -109.6 | 125.6 | 168.1 | -54.3 | -179.2 | 0 | 0 | 0 | 105.2 | Y52 I92 I100 L104 Q105 E106 | Y52-I102 HydrophobicContact CD1-CG2 4.31Å; Y52-I102 HydrophobicContact CD2-CD1 4.14Å; Y52-I102 HydrophobicContact CE2-CD1 3.98Å; Y52-I102 HydrophobicContact CG-CG2 4.3Å; I92-I102 HydrophobicContact CB-CD1 4.49Å; I92-I102 HydrophobicContact CD1-CD1 3.8Å; I92-I102 HydrophobicContact CG1-CD1 4.04Å; I92-I102 HydrophobicContact CG2-CD1 3.6Å; I100-I102 HydrophobicContact CG2-CD1 4.41Å; I100-I102 HydrophobicContact CG2-CG1 3.86Å; I102-L104 HydrophobicContact CG2-CB 3.93Å; I102-L104 PolarHBondContact O-N 3.3Å; I102-L104 VanDerWaalsContact O-N 3.08Å; I102-Q105 HydrophobicContact CB-CB 4.38Å; I102-Q105 HydrophobicContact CB-CG 4.08Å; I102-Q105 WeakPolarHBondContact O-CA 3.46Å; I102-Q105 WeakPolarHBondContact O-CB 3.42Å; I102-Q105 PolarHBondContact O-N 3.13Å; I102-E106 PolarHBondContact O-N 3.01Å; I102-E106 VanDerWaalsContact O-N 3.16Å | ||
| 103 | K | 77.1 | Confident | 82.4 | Confident | 168 Ų | 168 | 110.3 Ų | 110.3 | 73% | 0.73 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -51.1 | -37.4 | 179.6 | -64.1 | -177 | 176.9 | -174.7 | 0 | 112.5 | Q105 E106 E107 | K103-Q105 VanDerWaalsContact C-N 3.3Å; K103-Q105 PolarHBondContact O-N 2.79Å; K103-E106 PolarHBondContact O-N 3.18Å; K103-E106 VanDerWaalsContact O-N 3.16Å; K103-E107 PolarHBondContact O-N 3.36Å |
| 104 | L | 77.6 | Confident | 82.4 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -34.8 | 176.2 | -166.4 | 71.9 | 0 | 0 | 0 | 113.2 | I102 E108 | I102-L104 HydrophobicContact CG2-CB 3.93Å; I102-L104 PolarHBondContact O-N 3.3Å; I102-L104 VanDerWaalsContact O-N 3.08Å; L104-E108 PolarHBondContact O-N 3Å |
| 105 | Q | 76.6 | Confident | 82.3 | Confident | 50 Ų | 50 | 108 Ų | 108 | 23% | 0.234 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -77.3 | -30.5 | 176.5 | -67.8 | 179.5 | -6.2 | 0 | 0 | 111.9 | I102 K103 R109 | I102-Q105 HydrophobicContact CB-CB 4.38Å; I102-Q105 HydrophobicContact CB-CG 4.08Å; I102-Q105 WeakPolarHBondContact O-CA 3.46Å; I102-Q105 WeakPolarHBondContact O-CB 3.42Å; I102-Q105 PolarHBondContact O-N 3.13Å; K103-Q105 VanDerWaalsContact C-N 3.3Å; K103-Q105 PolarHBondContact O-N 2.79Å; Q105-R109 VanDerWaalsContact O-CB 3.23Å; Q105-R109 WeakPolarHBondContact O-CB 3.27Å; Q105-R109 PolarHBondContact O-N 3.1Å |
| 106 | E | 78.2 | Confident | 82.4 | Confident | 98 Ų | 98 | 112.6 Ų | 112.6 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -44.2 | 175.8 | -69.2 | 170.7 | 172.6 | 0 | 0 | 110.3 | S101 I102 K103 R109 E110 | S101-E106 WeakPolarHBondContact CB-OE1 3.28Å; I102-E106 PolarHBondContact O-N 3.01Å; I102-E106 VanDerWaalsContact O-N 3.16Å; K103-E106 PolarHBondContact O-N 3.18Å; K103-E106 VanDerWaalsContact O-N 3.16Å; E106-R109 PolarHBondContact O-N 2.94Å; E106-E110 WeakPolarHBondContact O-CG 3.18Å; E106-E110 PolarHBondContact O-N 3.25Å |
| 107 | E | 78.9 | Confident | 82.3 | Confident | 112 Ų | 112 | 110.2 Ų | 110.2 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.5 | -87.2 | -178.1 | 143.5 | 0 | 0 | 113.5 | K103 R109 E110 R111 | K103-E107 PolarHBondContact O-N 3.36Å; E107-R109 VanDerWaalsContact C-N 3.26Å; E107-R109 PolarHBondContact O-N 2.95Å; E107-E110 PolarHBondContact O-N 3.32Å; E107-R111 WeakPolarHBondContact O-CG 3.44Å; E107-R111 PolarHBondContact O-N 2.9Å |
| 108 | E | 80.2 | Confident | 82.3 | Confident | 123 Ų | 123 | 119.3 Ų | 119.3 | 58% | 0.575 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.9 | -35.2 | 176.1 | -82.4 | -157.2 | 135.7 | 0 | 0 | 112.2 | L104 R111 R112 | L104-E108 PolarHBondContact O-N 3Å; E108-R111 PolarHBondContact O-N 2.76Å; E108-R112 PolarHBondContact O-N 2.96Å |
| 109 | R | 80.5 | Confident | 82.5 | Confident | 175 Ų | 175 | 114.6 Ų | 114.6 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.1 | -44 | 177.7 | -172 | 175.6 | -176.3 | 151.6 | 3.4 | 111.2 | Q105 E106 E107 R111 R112 D113 | Q105-R109 VanDerWaalsContact O-CB 3.23Å; Q105-R109 WeakPolarHBondContact O-CB 3.27Å; Q105-R109 PolarHBondContact O-N 3.1Å; E106-R109 PolarHBondContact O-N 2.94Å; E107-R109 VanDerWaalsContact C-N 3.26Å; E107-R109 PolarHBondContact O-N 2.95Å; R109-R111 VanDerWaalsContact C-N 3.28Å; R109-R111 PolarHBondContact O-N 3.4Å; R109-R112 PolarHBondContact O-N 3.39Å; R109-R112 VanDerWaalsContact O-N 3.11Å; R109-D113 IonicContact NE-OD2 2.75Å; R109-D113 PolarHBondContact O-N 2.9Å |
| 110 | E | 79.7 | Confident | 82.8 | Confident | 121 Ų | 121 | 115.2 Ų | 115.2 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.8 | -39 | 175 | -77 | -179.4 | -178.9 | 0 | 0 | 111.8 | E106 E107 R112 D113 N114 | E106-E110 WeakPolarHBondContact O-CG 3.18Å; E106-E110 PolarHBondContact O-N 3.25Å; E107-E110 PolarHBondContact O-N 3.32Å; E110-R112 VanDerWaalsContact C-N 3.32Å; E110-R112 PolarHBondContact O-N 3.35Å; E110-D113 PolarHBondContact O-N 3.45Å; E110-N114 WeakPolarHBondContact O-CB 3.45Å; E110-N114 PolarHBondContact O-N 2.9Å; E110-N114 PolarHBondContact O-ND2 3.04Å; E110-N114 VanDerWaalsContact O-ND2 3.13Å |
| 111 | R | 83.8 | Confident | 82.8 | Confident | 190 Ų | 190 | 118.7 Ų | 118.7 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.7 | -35.7 | 175.1 | -72.7 | -177.9 | -172.9 | 179.4 | 3.5 | 113.3 | E107 E108 R109 Y115 | E107-R111 WeakPolarHBondContact O-CG 3.44Å; E107-R111 PolarHBondContact O-N 2.9Å; E108-R111 PolarHBondContact O-N 2.76Å; R109-R111 VanDerWaalsContact C-N 3.28Å; R109-R111 PolarHBondContact O-N 3.4Å; R111-Y115 PolarHBondContact O-N 3.19Å |
| 112 | R | 83 | Confident | 83.1 | Confident | 192 Ų | 192 | 123.4 Ų | 123.4 | 73% | 0.725 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.4 | -42.9 | 176.3 | -72.4 | -171.5 | -172.8 | -166.4 | 1.9 | 112.1 | E108 R109 E110 N114 Y115 | E108-R112 PolarHBondContact O-N 2.96Å; R109-R112 PolarHBondContact O-N 3.39Å; R109-R112 VanDerWaalsContact O-N 3.11Å; E110-R112 VanDerWaalsContact C-N 3.32Å; E110-R112 PolarHBondContact O-N 3.35Å; R112-N114 VanDerWaalsContact C-N 3.28Å; R112-N114 PolarHBondContact O-N 3.1Å; R112-Y115 VanDerWaalsContact O-CB 3.24Å; R112-Y115 WeakPolarHBondContact O-CB 3.44Å; R112-Y115 PolarHBondContact O-N 3.3Å; R112-Y115 VanDerWaalsContact O-N 3.15Å |
| 113 | D | 83.9 | Confident | 83 | Confident | 117 Ų | 117 | 127.7 Ų | 127.7 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.3 | -31.2 | -178.9 | -68.4 | -16.3 | 0 | 0 | 0 | 110.9 | R109 E110 Y115 | R109-D113 IonicContact NE-OD2 2.75Å; R109-D113 PolarHBondContact O-N 2.9Å; E110-D113 PolarHBondContact O-N 3.45Å; D113-Y115 VanDerWaalsContact C-N 3.28Å; D113-Y115 PolarHBondContact O-N 3.19Å |
| 114 | N | 88.5 | Confident | 83.2 | Confident | 123 Ų | 123 | 125 Ų | 125 | 66% | 0.658 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 2.4 | 173.6 | -66.1 | -26.1 | 0 | 0 | 0 | 113.9 | E110 R112 V116 | E110-N114 WeakPolarHBondContact O-CB 3.45Å; E110-N114 PolarHBondContact O-N 2.9Å; E110-N114 PolarHBondContact O-ND2 3.04Å; E110-N114 VanDerWaalsContact O-ND2 3.13Å; R112-N114 VanDerWaalsContact C-N 3.28Å; R112-N114 PolarHBondContact O-N 3.1Å; N114-V116 PolarHBondContact O-N 2.93Å; N114-V116 VanDerWaalsContact O-N 3.08Å |
| 115 | Y | 87 | Confident | 83.4 | Confident | 175 Ų | 175 | 128.2 Ų | 128.2 | 69% | 0.686 | 62% | 0.623 | S | S | * | * | trans | -73.6 | 105.1 | 179.3 | -177.8 | -99.5 | 0 | 0 | 0 | 110.1 | R111 R112 D113 P117 | R111-Y115 PolarHBondContact O-N 3.19Å; R112-Y115 VanDerWaalsContact O-CB 3.24Å; R112-Y115 WeakPolarHBondContact O-CB 3.44Å; R112-Y115 PolarHBondContact O-N 3.3Å; R112-Y115 VanDerWaalsContact O-N 3.15Å; D113-Y115 VanDerWaalsContact C-N 3.28Å; D113-Y115 PolarHBondContact O-N 3.19Å; Y115-P117 HydrophobicContact CE1-CB 4.29Å | ||
| 116 | V | 87.5 | Confident | 83.7 | Confident | 122 Ų | 122 | 130 Ų | 130 | 74% | 0.739 | 63% | 0.633 | S | S | * | * | trans | -97.4 | 119.5 | 169.7 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | N114 | N114-V116 PolarHBondContact O-N 2.93Å; N114-V116 VanDerWaalsContact O-N 3.08Å | ||
| 117 | P | 88.7 | Confident | 84.1 | Confident | 63 Ų | 63 | 128.8 Ų | 128.8 | 41% | 0.409 | 63% | 0.629 | S | S | . | * | trans | -65.5 | 150.3 | 175.6 | 29.1 | -34.5 | 0 | 0 | 0 | 110.5 | Y115 I119 | Y115-P117 HydrophobicContact CE1-CB 4.29Å; P117-I119 PolarHBondContact O-N 3.37Å | ||
| 118 | E | 85.9 | Confident | 84.5 | Confident | 199 Ų | 199 | 130.2 Ų | 130.2 | 93% | 0.93 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -61.7 | -33.5 | 178.8 | -64.2 | -178.9 | 173.3 | 0 | 0 | 112.4 | ||
| 119 | I | 88.1 | Confident | 84.8 | Confident | 133 Ų | 133 | 125.1 Ų | 125.1 | 68% | 0.682 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -113.6 | 122.2 | 178.3 | -54.6 | 172.1 | 0 | 0 | 0 | 108.2 | P117 A121 | P117-I119 PolarHBondContact O-N 3.37Å; I119-A121 PolarHBondContact O-N 2.98Å |
| 120 | S | 87.2 | Confident | 85.2 | Confident | 71 Ų | 71 | 120.7 Ų | 120.7 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | trans | -71 | 128.6 | 173.7 | -70.6 | 0 | 0 | 0 | 0 | 109.5 | L122 D123 | S120-L122 PolarHBondContact O-N 3.03Å; S120-D123 PolarHBondContact O-N 3.43Å | ||
| 121 | A | 85.8 | Confident | 85.6 | Confident | 83 Ų | 83 | 117 Ų | 117 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -15 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I119 Q124 | I119-A121 PolarHBondContact O-N 2.98Å; A121-Q124 PolarHBondContact O-NE2 3.25Å |
| 122 | L | 83.7 | Confident | 85.9 | Confident | 158 Ų | 158 | 113.9 Ų | 113.9 | 83% | 0.827 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -20.2 | 176.4 | -59.6 | 177.9 | 0 | 0 | 0 | 113.2 | S120 Q124 | S120-L122 PolarHBondContact O-N 3.03Å; L122-Q124 PolarHBondContact O-N 2.82Å |
| 123 | D | 81.1 | Confident | 86 | Confident | 102 Ų | 102 | 107.3 Ų | 107.3 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | trans | -85.7 | 67.1 | 177.6 | -164.4 | 24.5 | 0 | 0 | 0 | 109.8 | S120 K147 | S120-D123 PolarHBondContact O-N 3.43Å; D123-K147 IonicContact OD1-NZ 3.82Å; D123-K147 PolarHBondContact OD1-NZ 3.37Å | ||
| 124 | Q | 81.7 | Confident | 86.2 | Confident | 112 Ų | 112 | 103.6 Ų | 103.6 | 52% | 0.523 | 55% | 0.546 | S | S | . | . | trans | -87.6 | 140.2 | 171.4 | -66.3 | 168.4 | 34.6 | 0 | 0 | 108.3 | A121 L122 I126 | A121-Q124 PolarHBondContact O-NE2 3.25Å; L122-Q124 PolarHBondContact O-N 2.82Å; Q124-I126 PolarHBondContact O-N 3.09Å | ||
| 125 | E | 80.6 | Confident | 86.2 | Confident | 174 Ų | 174 | 103.2 Ų | 103.2 | 81% | 0.813 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -65.1 | -27.6 | 176.3 | -65 | -176.5 | 173 | 0 | 0 | 111.6 | ||
| 126 | I | 84.6 | Confident | 86.3 | Confident | 87 Ų | 87 | 99.4 Ų | 99.4 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | trans | -133.4 | 123.2 | -175.1 | -55.2 | 174 | 0 | 0 | 0 | 108.8 | Q124 Q149 | Q124-I126 PolarHBondContact O-N 3.09Å; I126-Q149 HydrophobicContact CG2-CB 3.69Å | ||
| 127 | I | 85.7 | Confident | 86.4 | Confident | 72 Ų | 72 | 95.2 Ų | 95.2 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.5 | 173.2 | -57.5 | 172.6 | 0 | 0 | 0 | 107.8 | V129 K147 L148 Q149 | I127-V129 HydrophobicContact CG2-CG2 3.96Å; I127-K147 PolarHBondContact N-O 3.46Å; I127-L148 HydrophobicContact CB-CD2 3.94Å; I127-L148 HydrophobicContact CD1-CD2 4.39Å; I127-L148 HydrophobicContact CG2-CD2 4.01Å; I127-Q149 PolarHBondContact O-N 3.47Å |
| 128 | E | 86.6 | Confident | 86.4 | Confident | 143 Ų | 143 | 98.3 Ų | 98.3 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.8 | 176 | -65.1 | -175.4 | 173.5 | 0 | 0 | 110.7 | Q149 T151 | E128-Q149 CarbonylContact C-O 3.6Å; E128-Q149 WeakPolarHBondContact CA-O 3.31Å; E128-T151 HydrophobicContact CB-CG2 3.77Å; E128-T151 HydrophobicContact CG-CG2 3.81Å |
| 129 | V | 88.2 | Confident | 86.5 | Confident | 15 Ų | 15 | 95.9 Ų | 95.9 | 9% | 0.091 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 136.6 | -173.5 | -177 | 0 | 0 | 0 | 0 | 110.3 | I127 T133 K134 L137 L148 Q149 V150 T151 | I127-V129 HydrophobicContact CG2-CG2 3.96Å; V129-T133 WeakPolarHBondContact CG1-OG1 3.28Å; V129-K134 HydrophobicContact CG1-CB 4.32Å; V129-L137 HydrophobicContact CG1-CD1 4.45Å; V129-L148 HydrophobicContact CG2-CB 4.42Å; V129-L148 HydrophobicContact CG2-CD2 3.52Å; V129-L148 HydrophobicContact CG2-CG 4.43Å; V129-Q149 PolarHBondContact N-O 3.15Å; V129-V150 VanDerWaalsContact O-CA 3.29Å; V129-V150 WeakPolarHBondContact O-CA 3.2Å; V129-T151 PolarHBondContact O-N 3.09Å |
| 130 | D | 89.1 | Confident | 86.6 | Confident | 83 Ų | 83 | 94.3 Ų | 94.3 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | trans | -69.1 | 153.8 | 173.5 | -68.1 | -43.9 | 0 | 0 | 0 | 111.7 | D132 T133 K134 | D130-D132 VanDerWaalsContact C-N 3.33Å; D130-D132 PolarHBondContact O-N 2.76Å; D130-T133 HydrophobicContact CB-CG2 4.46Å; D130-T133 PolarHBondContact N-OG1 3.19Å; D130-T133 PolarHBondContact O-N 3.26Å; D130-T133 PolarHBondContact O-OG1 3.28Å; D130-K134 PolarHBondContact O-N 2.94Å | ||
| 131 | P | 88 | Confident | 86.5 | Confident | 44 Ų | 44 | 98.2 Ų | 98.2 | 29% | 0.286 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58 | -43.1 | 178.4 | 22.7 | -33.5 | 0 | 0 | 0 | 112.8 | T133 K134 E135 V150 P153 | P131-T133 VanDerWaalsContact C-N 3.35Å; P131-T133 PolarHBondContact O-N 3.35Å; P131-K134 WeakPolarHBondContact O-CB 3.41Å; P131-K134 PolarHBondContact O-N 3.16Å; P131-K134 VanDerWaalsContact O-N 3.17Å; P131-E135 PolarHBondContact O-N 2.97Å; P131-E135 VanDerWaalsContact O-N 3.11Å; P131-V150 HydrophobicContact CB-CG1 4.45Å; P131-P153 HydrophobicContact CG-CG 4.4Å |
| 132 | D | 88.8 | Confident | 86.3 | Confident | 123 Ų | 123 | 100.2 Ų | 100.2 | 66% | 0.658 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | -179 | -59.4 | -16.5 | 0 | 0 | 0 | 111.9 | D130 K134 E135 M136 | D130-D132 VanDerWaalsContact C-N 3.33Å; D130-D132 PolarHBondContact O-N 2.76Å; D132-K134 VanDerWaalsContact C-N 3.34Å; D132-E135 PolarHBondContact O-N 3.41Å; D132-M136 PolarHBondContact O-N 2.91Å; D132-M136 VanDerWaalsContact O-N 3.11Å |
| 133 | T | 86.5 | Confident | 85.9 | Confident | 55 Ų | 55 | 94.3 Ų | 94.3 | 34% | 0.337 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.8 | -29.1 | 177.6 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | V129 D130 P131 M136 L137 | V129-T133 WeakPolarHBondContact CG1-OG1 3.28Å; D130-T133 HydrophobicContact CB-CG2 4.46Å; D130-T133 PolarHBondContact N-OG1 3.19Å; D130-T133 PolarHBondContact O-N 3.26Å; D130-T133 PolarHBondContact O-OG1 3.28Å; P131-T133 VanDerWaalsContact C-N 3.35Å; P131-T133 PolarHBondContact O-N 3.35Å; T133-M136 WeakPolarHBondContact O-CB 3.46Å; T133-M136 PolarHBondContact O-N 3.45Å; T133-L137 VanDerWaalsContact O-CG 3.31Å; T133-L137 WeakPolarHBondContact O-CG 3.44Å; T133-L137 PolarHBondContact O-N 3.32Å |
| 134 | K | 87.9 | Confident | 85.7 | Confident | 38 Ų | 38 | 93.2 Ų | 93.2 | 17% | 0.165 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 170.6 | -174.8 | 65.4 | -179.2 | -177.5 | 0 | 112.2 | V129 D130 P131 D132 L137 K138 G143 L148 V150 | V129-K134 HydrophobicContact CG1-CB 4.32Å; D130-K134 PolarHBondContact O-N 2.94Å; P131-K134 WeakPolarHBondContact O-CB 3.41Å; P131-K134 PolarHBondContact O-N 3.16Å; P131-K134 VanDerWaalsContact O-N 3.17Å; D132-K134 VanDerWaalsContact C-N 3.34Å; K134-L137 PolarHBondContact O-N 3.4Å; K134-K138 WeakPolarHBondContact O-CG 3.5Å; K134-K138 PolarHBondContact O-N 3.08Å; K134-K138 VanDerWaalsContact O-N 3.12Å; K134-G143 PolarHBondContact NZ-O 3.33Å; K134-L148 HydrophobicContact CD-CD1 4.35Å; K134-V150 HydrophobicContact CB-CG2 4.46Å; K134-V150 HydrophobicContact CG-CG2 4.24Å |
| 135 | E | 88.5 | Confident | 85.7 | Confident | 115 Ų | 115 | 92.3 Ų | 92.3 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 174.6 | -67.6 | -174.4 | 172.9 | 0 | 0 | 111.9 | P131 D132 L137 K138 M139 | P131-E135 PolarHBondContact O-N 2.97Å; P131-E135 VanDerWaalsContact O-N 3.11Å; D132-E135 PolarHBondContact O-N 3.41Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 2.92Å; E135-K138 WeakPolarHBondContact O-CB 3.37Å; E135-K138 PolarHBondContact O-N 3.22Å; E135-K138 VanDerWaalsContact O-N 3.12Å; E135-M139 PolarHBondContact O-N 3.35Å; E135-M139 VanDerWaalsContact O-N 3.14Å |
| 136 | M | 88.4 | Confident | 85.5 | Confident | 96 Ų | 96 | 89.8 Ų | 89.8 | 47% | 0.473 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56 | -44.8 | 171.7 | -174.4 | -169.9 | 74.1 | 0 | 0 | 111.8 | D132 T133 K138 M139 L140 | D132-M136 PolarHBondContact O-N 2.91Å; D132-M136 VanDerWaalsContact O-N 3.11Å; T133-M136 WeakPolarHBondContact O-CB 3.46Å; T133-M136 PolarHBondContact O-N 3.45Å; M136-K138 VanDerWaalsContact C-N 3.29Å; M136-K138 PolarHBondContact O-N 2.97Å; M136-M139 PolarHBondContact O-N 3.06Å; M136-L140 HydrophobicContact CG-CD1 4.27Å; M136-L140 WeakPolarHBondContact O-CG 3.15Å; M136-L140 PolarHBondContact O-N 3.29Å |
| 137 | L | 89.2 | Confident | 85.4 | Confident | 34 Ų | 34 | 90.1 Ų | 90.1 | 18% | 0.178 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65 | -30.7 | 177.9 | -71.5 | 170.4 | 0 | 0 | 0 | 113.3 | V129 T133 K134 E135 F142 L148 | V129-L137 HydrophobicContact CG1-CD1 4.45Å; T133-L137 VanDerWaalsContact O-CG 3.31Å; T133-L137 WeakPolarHBondContact O-CG 3.44Å; T133-L137 PolarHBondContact O-N 3.32Å; K134-L137 PolarHBondContact O-N 3.4Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 2.92Å; L137-F142 HydrophobicContact CD2-CB 4.23Å; L137-F142 PolarHBondContact O-N 3.43Å; L137-L148 HydrophobicContact CD1-CD1 3.97Å |
| 138 | K | 88.1 | Confident | 85.3 | Confident | 127 Ų | 127 | 88.4 Ų | 88.4 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.4 | -38.1 | 173.8 | -71.7 | 172.8 | -175.3 | 172.7 | 0 | 111.8 | K134 E135 M136 L140 D141 | K134-K138 WeakPolarHBondContact O-CG 3.5Å; K134-K138 PolarHBondContact O-N 3.08Å; K134-K138 VanDerWaalsContact O-N 3.12Å; E135-K138 WeakPolarHBondContact O-CB 3.37Å; E135-K138 PolarHBondContact O-N 3.22Å; E135-K138 VanDerWaalsContact O-N 3.12Å; M136-K138 VanDerWaalsContact C-N 3.29Å; M136-K138 PolarHBondContact O-N 2.97Å; K138-L140 VanDerWaalsContact C-N 3.27Å; K138-L140 PolarHBondContact O-N 3.4Å; K138-D141 PolarHBondContact O-N 2.93Å |
| 139 | M | 89.6 | Confident | 85.2 | Confident | 149 Ų | 149 | 86.2 Ų | 86.2 | 73% | 0.734 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70 | -25.1 | 178.4 | -69.1 | -173.1 | -82.7 | 0 | 0 | 113.2 | E135 M136 D141 | E135-M139 PolarHBondContact O-N 3.35Å; E135-M139 VanDerWaalsContact O-N 3.14Å; M136-M139 PolarHBondContact O-N 3.06Å; M139-D141 VanDerWaalsContact C-N 3.34Å |
| 140 | L | 88.8 | Confident | 85 | Confident | 99 Ų | 99 | 89.4 Ų | 89.4 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 11.7 | 177.4 | -62.3 | 173.3 | 0 | 0 | 0 | 113 | M136 K138 F142 | M136-L140 HydrophobicContact CG-CD1 4.27Å; M136-L140 WeakPolarHBondContact O-CG 3.15Å; M136-L140 PolarHBondContact O-N 3.29Å; K138-L140 VanDerWaalsContact C-N 3.27Å; K138-L140 PolarHBondContact O-N 3.4Å; L140-F142 HydrophobicContact CB-CD2 3.76Å; L140-F142 HydrophobicContact CB-CE2 4.19Å; L140-F142 WeakPolarHBondContact O-CD2 3.25Å; L140-F142 WeakPolarHBondContact O-CE2 3.44Å; L140-F142 PolarHBondContact O-N 3.07Å |
| 141 | D | 85.3 | Confident | 85 | Confident | 154 Ų | 154 | 87.3 Ų | 87.3 | 82% | 0.824 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 15.4 | -178.1 | -66.9 | -40 | 0 | 0 | 0 | 116.3 | K138 M139 G143 | K138-D141 PolarHBondContact O-N 2.93Å; M139-D141 VanDerWaalsContact C-N 3.34Å; D141-G143 VanDerWaalsContact C-N 3.31Å; D141-G143 PolarHBondContact O-N 3.14Å |
| 142 | F | 82.7 | Confident | 84.6 | Confident | 124 Ų | 124 | 94.1 Ų | 94.1 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | trans | -92.6 | 25.8 | 175.9 | -65.6 | -74.2 | 0 | 0 | 0 | 113.6 | L137 L140 G144 L145 | L137-F142 HydrophobicContact CD2-CB 4.23Å; L137-F142 PolarHBondContact O-N 3.43Å; L140-F142 HydrophobicContact CB-CD2 3.76Å; L140-F142 HydrophobicContact CB-CE2 4.19Å; L140-F142 WeakPolarHBondContact O-CD2 3.25Å; L140-F142 WeakPolarHBondContact O-CE2 3.44Å; L140-F142 PolarHBondContact O-N 3.07Å; F142-G144 VanDerWaalsContact C-N 3.29Å; F142-G144 PolarHBondContact O-N 3.11Å; F142-L145 HydrophobicContact CB-CD1 4.43Å | ||
| 143 | G | 74 | Confident | 84.1 | Confident | 34 Ų | 34 | 92 Ų | 92 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K134 D141 L145 | K134-G143 PolarHBondContact NZ-O 3.33Å; D141-G143 VanDerWaalsContact C-N 3.31Å; D141-G143 PolarHBondContact O-N 3.14Å; G143-L145 PolarHBondContact O-N 3.41Å |
| 144 | G | 78.6 | Confident | 83.6 | Confident | 80 Ų | 80 | 95.1 Ų | 95.1 | 83% | 0.825 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 10.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | F142 S146 | F142-G144 VanDerWaalsContact C-N 3.29Å; F142-G144 PolarHBondContact O-N 3.11Å; G144-S146 PolarHBondContact O-N 3.26Å |
| 145 | L | 81.3 | Confident | 83.1 | Confident | 93 Ų | 93 | 100.8 Ų | 100.8 | 49% | 0.487 | 56% | 0.559 | S | S | . | * | trans | -70.1 | 116.4 | 177.1 | -64.5 | 172.5 | 0 | 0 | 0 | 110.6 | F142 G143 K147 L148 | F142-L145 HydrophobicContact CB-CD1 4.43Å; G143-L145 PolarHBondContact O-N 3.41Å; L145-K147 PolarHBondContact O-N 3.09Å; L145-L148 HydrophobicContact CB-CD1 3.72Å; L145-L148 HydrophobicContact CB-CG 3.94Å; L145-L148 HydrophobicContact CD1-CD1 4.2Å | ||
| 146 | S | 76.5 | Confident | 82.3 | Confident | 121 Ų | 121 | 97.2 Ų | 97.2 | 85% | 0.846 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -20.7 | -175.7 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | G144 L148 | G144-S146 PolarHBondContact O-N 3.26Å; S146-L148 VanDerWaalsContact C-N 3.3Å; S146-L148 PolarHBondContact O-N 3.34Å |
| 147 | K | 81.9 | Confident | 81.5 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 40% | 0.404 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | 5.7 | -176.8 | -61.2 | -174.1 | 174.6 | -172.7 | 0 | 114.3 | D123 I127 L145 | D123-K147 IonicContact OD1-NZ 3.82Å; D123-K147 PolarHBondContact OD1-NZ 3.37Å; I127-K147 PolarHBondContact N-O 3.46Å; L145-K147 PolarHBondContact O-N 3.09Å |
| 148 | L | 82.9 | Confident | 80.9 | Confident | 36 Ų | 36 | 106 Ų | 106 | 19% | 0.188 | 60% | 0.598 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.1 | -174 | -59.9 | 174.8 | 0 | 0 | 0 | 112 | I127 V129 K134 L137 L145 S146 | I127-L148 HydrophobicContact CB-CD2 3.94Å; I127-L148 HydrophobicContact CD1-CD2 4.39Å; I127-L148 HydrophobicContact CG2-CD2 4.01Å; V129-L148 HydrophobicContact CG2-CB 4.42Å; V129-L148 HydrophobicContact CG2-CD2 3.52Å; V129-L148 HydrophobicContact CG2-CG 4.43Å; K134-L148 HydrophobicContact CD-CD1 4.35Å; L137-L148 HydrophobicContact CD1-CD1 3.97Å; L145-L148 HydrophobicContact CB-CD1 3.72Å; L145-L148 HydrophobicContact CB-CG 3.94Å; L145-L148 HydrophobicContact CD1-CD1 4.2Å; S146-L148 VanDerWaalsContact C-N 3.3Å; S146-L148 PolarHBondContact O-N 3.34Å |
| 149 | Q | 84.5 | Confident | 80.5 | Confident | 98 Ų | 98 | 107.4 Ų | 107.4 | 46% | 0.458 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.7 | 170.6 | -178.9 | 172.7 | -14.9 | 0 | 0 | 109.8 | I126 I127 E128 V129 | I126-Q149 HydrophobicContact CG2-CB 3.69Å; I127-Q149 PolarHBondContact O-N 3.47Å; E128-Q149 CarbonylContact C-O 3.6Å; E128-Q149 WeakPolarHBondContact CA-O 3.31Å; V129-Q149 PolarHBondContact N-O 3.15Å |
| 150 | V | 85.1 | Confident | 80.2 | Confident | 81 Ų | 81 | 109.2 Ų | 109.2 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.8 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | V129 P131 K134 | V129-V150 VanDerWaalsContact O-CA 3.29Å; V129-V150 WeakPolarHBondContact O-CA 3.2Å; P131-V150 HydrophobicContact CB-CG1 4.45Å; K134-V150 HydrophobicContact CB-CG2 4.46Å; K134-V150 HydrophobicContact CG-CG2 4.24Å |
| 151 | T | 87.6 | Confident | 79.9 | Confident | 40 Ų | 40 | 110.3 Ų | 110.3 | 25% | 0.245 | 62% | 0.619 | C | S | . | * | P | Polyproline II helix | trans | -97.1 | 151.4 | 173.7 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | E128 V129 | E128-T151 HydrophobicContact CB-CG2 3.77Å; E128-T151 HydrophobicContact CG-CG2 3.81Å; V129-T151 PolarHBondContact O-N 3.09Å |
| 152 | Q | 81 | Confident | 79.8 | Confident | 186 Ų | 186 | 108.9 Ų | 108.9 | 87% | 0.869 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 134.3 | 176.3 | -72.9 | -163.9 | 75.2 | 0 | 0 | 110.1 | ||
| 153 | P | 78.4 | Confident | 79.8 | Confident | 79 Ų | 79 | 114.9 Ų | 114.9 | 51% | 0.513 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 140.5 | 178.8 | 25.9 | -33.3 | 0 | 0 | 0 | 110.5 | P131 V155 | P131-P153 HydrophobicContact CG-CG 4.4Å; P153-V155 PolarHBondContact O-N 3.49Å |
| 154 | T | 76.3 | Confident | 79.8 | Confident | 120 Ų | 120 | 116.7 Ų | 116.7 | 74% | 0.736 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 121.3 | 174.7 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | G156 | T154-G156 PolarHBondContact O-N 3.34Š|
| 155 | V | 76.1 | Confident | 78.5 | Confident | 158 Ų | 158 | 125.1 Ų | 125.1 | 96% | 0.958 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -72.9 | 99.4 | -178.1 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | P153 | P153-V155 PolarHBondContact O-N 3.49Š|
| 156 | G | 73 | Confident | 78.4 | Confident | 39 Ų | 39 | 126.8 Ų | 126.8 | 40% | 0.402 | 69% | 0.691 | S | S | . | * | trans | 145.9 | 116.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T154 N158 | T154-G156 PolarHBondContact O-N 3.34Å; G156-N158 PolarHBondContact O-N 3.42Å | ||
| 157 | M | 70.8 | Confident | 78.5 | Confident | 164 Ų | 164 | 127.1 Ų | 127.1 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | -80.7 | 54.1 | 179.8 | -64.7 | -174.8 | 169 | 0 | 0 | 112.8 | F159 | M157-F159 VanDerWaalsContact C-N 3.29Å; M157-F159 VanDerWaalsContact CA-CE2 3.41Å; M157-F159 HydrophobicContact CB-CD2 4.19Å; M157-F159 HydrophobicContact CB-CE2 3.57Å; M157-F159 HydrophobicContact CB-CZ 4.2Å; M157-F159 HydrophobicContact CG-CE2 3.75Å; M157-F159 HydrophobicContact CG-CZ 4.17Å; M157-F159 PolarHBondContact O-N 3.19Å | ||
| 158 | N | 77 | Confident | 78.3 | Confident | 151 Ų | 151 | 128.9 Ų | 128.9 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | trans | -91.5 | 26.4 | -175.8 | -70 | -14.3 | 0 | 0 | 0 | 113.5 | G156 K160 | G156-N158 PolarHBondContact O-N 3.42Å; N158-K160 PolarHBondContact O-N 3.25Å | ||
| 159 | F | 78.7 | Confident | 78 | Confident | 156 Ų | 156 | 134.4 Ų | 134.4 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | trans | -72.2 | -16.3 | -179 | -26.6 | -74.4 | 0 | 0 | 0 | 113.3 | M157 | M157-F159 VanDerWaalsContact C-N 3.29Å; M157-F159 VanDerWaalsContact CA-CE2 3.41Å; M157-F159 HydrophobicContact CB-CD2 4.19Å; M157-F159 HydrophobicContact CB-CE2 3.57Å; M157-F159 HydrophobicContact CB-CZ 4.2Å; M157-F159 HydrophobicContact CG-CE2 3.75Å; M157-F159 HydrophobicContact CG-CZ 4.17Å; M157-F159 PolarHBondContact O-N 3.19Å | ||
| 160 | K | 83.6 | Confident | 77.6 | Confident | 187 Ų | 187 | 136.7 Ų | 136.7 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -82.6 | 120.6 | -178.3 | -66 | -178.3 | -176.9 | 175.5 | 0 | 108.9 | N158 | N158-K160 PolarHBondContact O-N 3.25Š|
| 161 | T | 83.1 | Confident | 77.1 | Confident | 122 Ų | 122 | 140.4 Ų | 140.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 136.5 | 167.5 | 51.3 | 0 | 0 | 0 | 0 | 109.4 | R163 | T161-R163 PolarHBondContact O-N 2.9Š|
| 162 | P | 83.8 | Confident | 76.4 | Confident | 124 Ų | 124 | 147.6 Ų | 147.6 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 135.2 | 177 | 23 | -31.4 | 0 | 0 | 0 | 109.7 | G164 | P162-G164 PolarHBondContact O-N 2.83Š|
| 163 | R | 80.9 | Confident | 76 | Confident | 250 Ų | 250 | 144.6 Ų | 144.6 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -78.6 | 113.2 | 177.5 | -61.6 | -168.3 | -143.8 | -178.9 | 7.5 | 109 | T161 | T161-R163 PolarHBondContact O-N 2.9Š| ||
| 164 | G | 73.9 | Confident | 75.8 | Confident | 73 Ų | 73 | 150.1 Ų | 150.1 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 60.5 | 115.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | P162 | P162-G164 PolarHBondContact O-N 2.83Š| ||
| 165 | L | 52.9 | Low | 75.8 | Confident | 257 Ų | 257 | 152.8 Ų | 152.8 | 100% | 1.346 | 82% | 0.824 | S | S | * | * | trans | -95.9 | 0 | 132.9 | -85.7 | 162.1 | 0 | 0 | 0 | 107.3 |
Retrieved 165 of 165 residues in 132 ms
(Link to these results)