| 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 | 55.6 | Low | 74.4 | Confident | 197 Ų | 197 | 75.2 Ų | 75.2 | 97% | 0.97 | 42% | 0.42 | S | S | * | . | 0 | 111.8 | 0 | -69.1 | -176.5 | -173.6 | 0 | 0 | 107.2 | G3 | M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 2.94Å | |||
| 2 | E | 62.5 | Low | 73.2 | Confident | 162 Ų | 162 | 74.5 Ų | 74.5 | 76% | 0.757 | 44% | 0.443 | S | S | * | . | trans | -85.8 | 66.6 | -173.9 | -64.9 | 172.5 | 100.4 | 0 | 0 | 111.1 | ||||
| 3 | G | 69.9 | Low | 70.7 | Confident | 32 Ų | 32 | 71.9 Ų | 71.9 | 33% | 0.33 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 110 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1 L135 | M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 2.94Å; G3-L135 CarbonylContact C-O 3.58Å; G3-L135 WeakPolarHBondContact CA-O 3.45Å |
| 4 | S | 77.2 | Confident | 68.5 | Low | 43 Ų | 43 | 72.8 Ų | 72.8 | 30% | 0.301 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137.3 | 173.5 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | R134 L135 | S4-R134 WeakPolarHBondContact O-CA 3.19Å; S4-L135 PolarHBondContact N-O 3.46Å; S4-L135 PolarHBondContact O-N 2.84Å |
| 5 | A | 80.1 | Confident | 66.5 | Low | 65 Ų | 65 | 75.8 Ų | 75.8 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 141.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 6 | V | 80.9 | Confident | 64.6 | Low | 13 Ų | 13 | 76.8 Ų | 76.8 | 8% | 0.079 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 119.7 | 164.2 | -176.2 | 0 | 0 | 0 | 0 | 106.8 | L107 L119 R133 L135 | V6-L107 HydrophobicContact CG1-CB 4.16Å; V6-L107 HydrophobicContact CG1-CD1 4.22Å; V6-L107 HydrophobicContact CG1-CD2 4.09Å; V6-L107 HydrophobicContact CG1-CG 4.39Å; V6-L119 HydrophobicContact CG1-CD2 3.9Å; V6-L119 HydrophobicContact CG2-CD2 4.05Å; V6-R133 PolarHBondContact N-O 2.68Å; V6-L135 HydrophobicContact CG2-CB 4.02Å; V6-L135 HydrophobicContact CG2-CD2 3.6Å; V6-L135 HydrophobicContact CG2-CG 4.34Å |
| 7 | T | 81.6 | Confident | 63.4 | Low | 69 Ų | 69 | 78.6 Ų | 78.6 | 42% | 0.423 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.9 | 170.5 | 50.7 | 0 | 0 | 0 | 0 | 110 | L9 L107 K108 | T7-L9 WeakPolarHBondContact OG1-CD1 3.23Å; T7-L107 WeakPolarHBondContact O-CA 3.3Å; T7-K108 PolarHBondContact N-O 3.03Å; T7-K108 VanDerWaalsContact N-O 3.14Å; T7-K108 PolarHBondContact O-N 3.06Å |
| 8 | V | 82.1 | Confident | 62.3 | Low | 92 Ų | 92 | 81.4 Ų | 81.4 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.5 | 169.4 | -174.2 | 0 | 0 | 0 | 0 | 107 | Y105 L107 | V8-Y105 HydrophobicContact CG1-CD1 4.27Å; V8-L107 HydrophobicContact CB-CD2 4.31Å; V8-L107 HydrophobicContact CG1-CD2 4.45Å; V8-L107 HydrophobicContact CG2-CD2 3.77Å |
| 9 | L | 81.1 | Confident | 61.1 | Low | 22 Ų | 22 | 86.6 Ų | 86.6 | 12% | 0.115 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 140.9 | 176.6 | -77 | 72 | 0 | 0 | 0 | 109 | T7 V84 Y105 F106 K108 Y113 | T7-L9 WeakPolarHBondContact OG1-CD1 3.23Å; L9-V84 HydrophobicContact CD2-CG1 3.84Å; L9-V84 HydrophobicContact CG-CG1 4.41Å; L9-Y105 WeakPolarHBondContact O-CA 3.39Å; L9-F106 HydrophobicContact CB-CD1 4.32Å; L9-F106 HydrophobicContact CB-CD2 4.19Å; L9-F106 HydrophobicContact CB-CE1 3.83Å; L9-F106 HydrophobicContact CB-CE2 3.71Å; L9-F106 HydrophobicContact CB-CG 4.48Å; L9-F106 HydrophobicContact CB-CZ 3.51Å; L9-F106 HydrophobicContact CD2-CE2 3.71Å; L9-F106 HydrophobicContact CD2-CZ 3.83Å; L9-F106 HydrophobicContact CG-CE2 4.29Å; L9-F106 HydrophobicContact CG-CZ 4.33Å; L9-F106 PolarHBondContact N-O 2.86Å; L9-F106 PolarHBondContact O-N 3.05Å; L9-K108 HydrophobicContact CD1-CB 3.67Å; L9-K108 HydrophobicContact CD2-CB 4.5Å; L9-Y113 HydrophobicContact CD2-CE1 4.21Å |
| 10 | E | 79 | Confident | 60.6 | Low | 58 Ų | 58 | 93.2 Ų | 93.2 | 27% | 0.271 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 140.6 | 168.6 | -81.5 | -164.7 | 82.7 | 0 | 0 | 110.7 | G12 R104 Y105 | E10-G12 PolarHBondContact O-N 3.37Å; E10-R104 CarbonylContact C-O 3.59Å; E10-R104 WeakPolarHBondContact CA-O 3.4Å; E10-R104 IonicContact OE1-CZ 3.49Å; E10-R104 VanDerWaalsContact OE1-CZ 3.26Å; E10-R104 IonicContact OE1-NE 3.69Å; E10-R104 PolarHBondContact OE1-NE 2.79Å; E10-R104 IonicContact OE1-NH2 2.72Å; E10-R104 PolarHBondContact OE1-NH2 2.94Å; E10-Y105 HydrophobicContact CG-CD1 3.39Å; E10-Y105 HydrophobicContact CG-CE1 3.26Å; E10-Y105 HydrophobicContact CG-CG 4.24Å; E10-Y105 WeakPolarHBondContact OE1-CE1 3.22Å; E10-Y105 VanDerWaalsContact OE1-CZ 3.29Å; E10-Y105 PolarHBondContact OE1-OH 3.1Å |
| 11 | R | 68.7 | Low | 59.9 | Low | 74 Ų | 74 | 99.4 Ų | 99.4 | 28% | 0.279 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -78.1 | 112.2 | 163 | -68.2 | -167.4 | 168.1 | 151.9 | 0.5 | 110.1 | I101 G102 R104 F106 | R11-I101 PolarHBondContact NH1-O 3.29Å; R11-I101 PolarHBondContact NH2-O 3.28Å; R11-G102 PolarHBondContact NH1-O 3.07Å; R11-R104 PolarHBondContact N-O 2.75Å; R11-F106 HydrophobicContact CG-CD1 4.26Å; R11-F106 HydrophobicContact CG-CE1 3.67Å |
| 12 | G | 59.4 | Low | 59.6 | Low | 67 Ų | 67 | 94.8 Ų | 94.8 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 50.1 | 70.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E10 | E10-G12 PolarHBondContact O-N 3.37Š|
| 13 | G | 41.5 | Very low | 59 | Low | 41 Ų | 41 | 95.5 Ų | 95.5 | 42% | 0.423 | 56% | 0.556 | S | S | . | * | trans | -164.9 | 132.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 14 | A | 39 | Very low | 57.8 | Low | 84 Ų | 84 | 105.8 Ų | 105.8 | 69% | 0.694 | 59% | 0.585 | S | S | * | * | trans | -58.2 | 140.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S16 | A14-S16 PolarHBondContact O-N 2.87Å; A14-S16 PolarHBondContact O-OG 3.43Å | ||
| 15 | S | 38.3 | Very low | 56.4 | Low | 118 Ų | 118 | 114.8 Ų | 114.8 | 83% | 0.825 | 61% | 0.612 | S | S | * | * | trans | -44.3 | 110.4 | 176.9 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 16 | S | 36.9 | Very low | 54.7 | Low | 92 Ų | 92 | 123.5 Ų | 123.5 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | trans | -113.4 | 124.1 | 172.9 | -64 | 0 | 0 | 0 | 0 | 109.1 | A14 | A14-S16 PolarHBondContact O-N 2.87Å; A14-S16 PolarHBondContact O-OG 3.43Å | ||
| 17 | P | 44.1 | Very low | 52.8 | Low | 108 Ų | 108 | 134.9 Ų | 134.9 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | trans | -66 | 157.1 | 178.6 | 27.7 | -33.8 | 0 | 0 | 0 | 111.3 | E19 | P17-E19 PolarHBondContact O-N 3Š| ||
| 18 | P | 42.9 | Very low | 51 | Low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 69% | 0.694 | S | S | * | * | trans | -68.9 | 97 | -174.5 | 27.7 | -35.3 | 0 | 0 | 0 | 111.8 | R20 | P18-R20 PolarHBondContact O-N 3.34Š| ||
| 19 | E | 40.2 | Very low | 48.9 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 71% | 0.708 | S | S | * | * | trans | -59.9 | 120.7 | 175.5 | -107.1 | -75.4 | 70.3 | 0 | 0 | 110.9 | P17 R21 | P17-E19 PolarHBondContact O-N 3Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3.05Å | ||
| 20 | R | 50.8 | Low | 46.6 | Very low | 218 Ų | 218 | 139.9 Ų | 139.9 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | trans | -78.7 | 81.6 | -166.5 | -168.6 | 176.2 | -171.9 | -105.3 | 7.1 | 109.8 | P18 S22 | P18-R20 PolarHBondContact O-N 3.34Å; R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 3.44Å; R20-S22 PolarHBondContact O-OG 2.73Å | ||
| 21 | R | 45.7 | Very low | 44.4 | Very low | 224 Ų | 224 | 141.3 Ų | 141.3 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -54.2 | 88.7 | -172.9 | -167.8 | 176.7 | -176.6 | -155.4 | 2.4 | 113.1 | E19 K23 | E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3.05Å; R21-K23 PolarHBondContact O-N 2.81Å | ||
| 22 | S | 48.7 | Very low | 42.7 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -71.3 | 99.3 | 178.4 | -68.7 | 0 | 0 | 0 | 0 | 109.4 | R20 R24 | R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 3.44Å; R20-S22 PolarHBondContact O-OG 2.73Å; S22-R24 VanDerWaalsContact C-N 3.31Å; S22-R24 PolarHBondContact O-N 3.21Å | ||
| 23 | K | 50.4 | Low | 41.5 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -65.1 | 87.7 | 175 | -79.9 | 178.4 | 175.9 | 171 | 0 | 110.4 | R21 R25 | R21-K23 PolarHBondContact O-N 2.81Å; K23-R25 VanDerWaalsContact C-N 3.3Å; K23-R25 PolarHBondContact O-N 2.77Å | ||
| 24 | R | 45.6 | Very low | 41.1 | Very low | 249 Ų | 249 | 153.4 Ų | 153.4 | 94% | 0.94 | 83% | 0.834 | S | S | * | * | trans | -59.6 | 90.9 | 160.7 | -111.2 | -177.8 | 175 | -114.8 | 3 | 108.6 | S22 R26 | S22-R24 VanDerWaalsContact C-N 3.31Å; S22-R24 PolarHBondContact O-N 3.21Å; R24-R26 PolarHBondContact O-N 3.27Å | ||
| 25 | R | 47.3 | Very low | 41.1 | Very low | 231 Ų | 231 | 153.8 Ų | 153.8 | 87% | 0.872 | 84% | 0.837 | S | S | * | * | trans | -71.9 | 125.1 | 168.3 | -85.2 | -176 | 168.1 | -100.6 | 3.8 | 108.6 | K23 | K23-R25 VanDerWaalsContact C-N 3.3Å; K23-R25 PolarHBondContact O-N 2.77Å | ||
| 26 | R | 45.3 | Very low | 41.5 | Very low | 248 Ų | 248 | 154.4 Ų | 154.4 | 94% | 0.936 | 84% | 0.838 | S | S | * | * | trans | -64.5 | 144.3 | 171.8 | -67.5 | -178.5 | 174.4 | -168.5 | -2.3 | 109.4 | R24 | R24-R26 PolarHBondContact O-N 3.27Š| ||
| 27 | R | 41 | Very low | 41.5 | Very low | 252 Ų | 252 | 159.6 Ų | 159.6 | 95% | 0.951 | 85% | 0.852 | S | S | * | * | trans | -107.9 | 110.7 | -177.4 | -162.7 | -177.1 | -166.4 | -150.4 | 5.4 | 108.7 | ||||
| 28 | S | 42.9 | Very low | 40.9 | Very low | 123 Ų | 123 | 157.9 Ų | 157.9 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | trans | -123.2 | 133.7 | 164.3 | -59.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 29 | G | 37.3 | Very low | 40.8 | Very low | 84 Ų | 84 | 159.1 Ų | 159.1 | 87% | 0.866 | 86% | 0.859 | S | S | * | * | trans | -104.4 | -176.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 30 | G | 33 | Very low | 40.7 | Very low | 81 Ų | 81 | 162.4 Ų | 162.4 | 84% | 0.835 | 86% | 0.863 | S | S | * | * | trans | 143.9 | 132.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 31 | G | 33.2 | Very low | 40.1 | Very low | 88 Ų | 88 | 156.5 Ų | 156.5 | 91% | 0.907 | 86% | 0.861 | S | S | * | * | trans | 88.9 | 135.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 32 | G | 32.6 | Very low | 40.2 | Very low | 82 Ų | 82 | 152.3 Ų | 152.3 | 85% | 0.845 | 86% | 0.863 | S | S | * | * | trans | -139.3 | 173.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 33 | A | 34.3 | Very low | 39.8 | Very low | 108 Ų | 108 | 152.5 Ų | 152.5 | 89% | 0.893 | 87% | 0.871 | S | S | * | * | trans | -161 | 170 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 34 | R | 33.4 | Very low | 39.2 | Very low | 247 Ų | 247 | 149 Ų | 149 | 93% | 0.932 | 88% | 0.875 | S | S | * | * | trans | -98.3 | 171.4 | -159.7 | -65.3 | 162 | 66.4 | -139.8 | 7.1 | 115.2 | ||||
| 35 | A | 38.7 | Very low | 38.8 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 76% | 0.76 | 87% | 0.869 | S | S | * | * | trans | 91.6 | 160.9 | 154 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 36 | P | 47.3 | Very low | 38.7 | Very low | 131 Ų | 131 | 139 Ų | 139 | 85% | 0.851 | 87% | 0.87 | S | S | * | * | -128.1 | -166 | -58.3 | 38.4 | -24.9 | 0 | 0 | 0 | 113 | |||||
| 37 | E | 37.7 | Very low | 38.8 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 94% | 0.939 | 86% | 0.862 | S | S | * | * | trans | -64.8 | 155.5 | -169 | -60.3 | -179.9 | 74.2 | 0 | 0 | 117.1 | ||||
| 38 | G | 31.1 | Very low | 38.6 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 86% | 0.859 | S | S | * | * | trans | 174.7 | 96.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 39 | V | 39.9 | Very low | 38.4 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 93% | 0.933 | 85% | 0.851 | S | S | * | * | trans | 67.2 | 130 | 152.1 | -179.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 40 | R | 37.5 | Very low | 38.5 | Very low | 249 Ų | 249 | 132.1 Ų | 132.1 | 94% | 0.94 | 85% | 0.846 | S | S | * | * | trans | -83.1 | 149.9 | 176.3 | -63.7 | 159.6 | 85.8 | -172.2 | 8.7 | 112.2 | ||||
| 41 | A | 39.9 | Very low | 38.8 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 78% | 0.777 | 85% | 0.85 | S | S | * | * | trans | -131.8 | 146 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | P | 47.9 | Very low | 38.7 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | -87.9 | 169.1 | -170.5 | 35 | -36 | 0 | 0 | 0 | 114.6 | ||||
| 43 | A | 38.8 | Very low | 39.1 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 87% | 0.868 | 84% | 0.844 | S | S | * | * | trans | -93.6 | 153.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 44 | A | 39.2 | Very low | 40 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -131.9 | 150.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 45 | G | 36 | Very low | 40.5 | Very low | 78 Ų | 78 | 135.8 Ų | 135.8 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | cis | 138.9 | 74.7 | 11.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 46 | Q | 46 | Very low | 41.7 | Very low | 190 Ų | 190 | 137 Ų | 137 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -115.3 | 160.2 | 169.2 | -71.1 | -171.6 | 14.5 | 0 | 0 | 108.1 | ||||
| 47 | P | 46.7 | Very low | 41.8 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | cis | -126.5 | -149.5 | 31.5 | 32.3 | -7.2 | 0 | 0 | 0 | 111.8 | ||||
| 48 | R | 36.2 | Very low | 41.6 | Very low | 234 Ų | 234 | 130.7 Ų | 130.7 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | cis | -159.5 | 173.6 | 12.8 | -163.4 | 158.1 | 168.2 | -103.1 | 7.1 | 111.4 | ||||
| 49 | A | 38.8 | Very low | 42.2 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | trans | -111.8 | 157.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 50 | T | 40.5 | Very low | 42.7 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 83% | 0.825 | S | S | * | * | trans | -147.9 | 128.2 | 161 | 46.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 51 | K | 38.3 | Very low | 43.5 | Very low | 211 Ų | 211 | 125.6 Ų | 125.6 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | 51.3 | 127 | 77.4 | -61.7 | -169.9 | 178.1 | -169.2 | 0 | 113.4 | |||||
| 52 | G | 31.5 | Very low | 43.5 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | cis | 156.8 | 154.2 | -8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 53 | A | 42.3 | Very low | 43.3 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | 71.3 | 169 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 54 | P | 51.8 | Low | 43.7 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | cis | -130.2 | 176.1 | -23.5 | 25.4 | -2.7 | 0 | 0 | 0 | 115.5 | ||||
| 55 | L | 45.2 | Very low | 43.7 | Very low | 168 Ų | 168 | 130 Ų | 130 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | -102.2 | 151.7 | 167.7 | -77.3 | 158.5 | 0 | 0 | 0 | 111.8 | ||||
| 56 | P | 62.7 | Low | 44 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -91.3 | 167.7 | 171 | 36.3 | -33.7 | 0 | 0 | 0 | 114.1 | ||||
| 57 | P | 49.8 | Very low | 43.5 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -126.3 | 170.9 | -157.1 | 42.3 | -28.6 | 0 | 0 | 0 | 117.6 | ||||
| 58 | G | 33.6 | Very low | 43.2 | Very low | 69 Ų | 69 | 127 Ų | 127 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 94.3 | 156.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 59 | T | 44.2 | Very low | 43.8 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | cis | -164.3 | 173.5 | -9.5 | 6.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 60 | P | 49.8 | Very low | 44.1 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -107.9 | -145 | -147.2 | 42.9 | -35.4 | 0 | 0 | 0 | 116.9 | ||||
| 61 | P | 53.5 | Low | 44.4 | Very low | 108 Ų | 108 | 132 Ų | 132 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | -105.7 | -171.4 | -117.9 | 42.2 | -26.2 | 0 | 0 | 0 | 114.3 | |||||
| 62 | P | 40.3 | Very low | 44.4 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | -142.4 | 150.8 | 120.3 | 37.2 | -24.8 | 0 | 0 | 0 | 115.6 | |||||
| 63 | S | 44.6 | Very low | 45.2 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | -82.6 | 164.7 | 158.8 | -50.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 64 | P | 47.8 | Very low | 45.2 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | -142.5 | 169.1 | 112.6 | 36.2 | -22.6 | 0 | 0 | 0 | 115.8 | |||||
| 65 | M | 39.1 | Very low | 44.9 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -121.5 | 159.2 | 171.2 | -54.3 | -179.6 | -172.7 | 0 | 0 | 108 | ||||
| 66 | S | 40.4 | Very low | 44.8 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | cis | -160.9 | 158.3 | -5.5 | -125.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 67 | S | 36.2 | Very low | 44 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -159.7 | 151.5 | 160 | -83.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 68 | A | 41.8 | Very low | 43.8 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -118.4 | 174.2 | -162.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 69 | I | 48.6 | Very low | 44.2 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 80.2 | 107.9 | 163.9 | -50.5 | 152.2 | 0 | 0 | 0 | 115 | ||||
| 70 | E | 43.3 | Very low | 44.3 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | -160.6 | 146 | 99.1 | -161.6 | 61.5 | 97.8 | 0 | 0 | 110.7 | |||||
| 71 | R | 47.3 | Very low | 44.1 | Very low | 229 Ų | 229 | 136.3 Ų | 136.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -84.9 | 134.9 | -178.3 | -68.5 | 172.3 | 170.1 | 178.1 | -4.3 | 112.1 | ||||
| 72 | K | 38 | Very low | 43.8 | Very low | 208 Ų | 208 | 137.1 Ų | 137.1 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | -155 | 115.1 | 143.1 | -114.1 | 155.1 | -174.7 | 174.3 | 0 | 111.6 | ||||
| 73 | S | 49.4 | Very low | 44.3 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -62.8 | 143.3 | 172.1 | -38.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 74 | L | 42.1 | Very low | 44.7 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 88% | 0.88 | 76% | 0.759 | S | S | * | * | trans | -177.6 | 100.7 | 139.1 | -97.9 | 160.7 | 0 | 0 | 0 | 107.7 | ||||
| 75 | D | 44.4 | Very low | 45.1 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | trans | -70.8 | 134.6 | 154.6 | -169.1 | -116.4 | 0 | 0 | 0 | 106.5 | S77 | D75-S77 WeakPolarHBondContact OD1-CB 3.43Å; D75-S77 PolarHBondContact OD1-OG 3.29Å; D75-S77 PolarHBondContact OD2-N 2.88Å | ||
| 76 | P | 43.6 | Very low | 45.8 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | -132 | 112.7 | 86.4 | 17.1 | 4.4 | 0 | 0 | 0 | 114 | E78 | P76-E78 VanDerWaalsContact C-N 3.34Å; P76-E78 PolarHBondContact O-N 3.43Å | |||
| 77 | S | 46 | Very low | 46.7 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 58% | 0.58 | 72% | 0.718 | S | S | * | * | 25.6 | 57.6 | 111.4 | 43.8 | 0 | 0 | 0 | 0 | 119.2 | D75 | D75-S77 WeakPolarHBondContact OD1-CB 3.43Å; D75-S77 PolarHBondContact OD1-OG 3.29Å; D75-S77 PolarHBondContact OD2-N 2.88Å | |||
| 78 | E | 46.5 | Very low | 47.8 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | -124.4 | 54.3 | 168.9 | -65 | -69.1 | 148.4 | 0 | 0 | 111.6 | P76 | P76-E78 VanDerWaalsContact C-N 3.34Å; P76-E78 PolarHBondContact O-N 3.43Å | ||
| 79 | E | 41.2 | Very low | 48.5 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | trans | -69.9 | 132.8 | 154.9 | -67.6 | -80.4 | 117.1 | 0 | 0 | 107.4 | V81 | E79-V81 VanDerWaalsContact C-N 3.31Å; E79-V81 PolarHBondContact O-N 3.05Å | ||
| 80 | P | 46.8 | Very low | 49.2 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | trans | -71.7 | 86.3 | -178.9 | 29.3 | -34.6 | 0 | 0 | 0 | 110.6 | ||||
| 81 | V | 46.2 | Very low | 50.4 | Low | 97 Ų | 97 | 125.9 Ų | 125.9 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | trans | -63.6 | 132.7 | 175 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | E79 E83 | E79-V81 VanDerWaalsContact C-N 3.31Å; E79-V81 PolarHBondContact O-N 3.05Å; V81-E83 PolarHBondContact O-N 2.96Å | ||
| 82 | D | 46.5 | Very low | 52.1 | Low | 124 Ų | 124 | 115.1 Ų | 115.1 | 66% | 0.663 | 63% | 0.63 | S | S | * | * | trans | -48.1 | 107 | 177.6 | -88.5 | -85.9 | 0 | 0 | 0 | 111.9 | V84 L85 | D82-V84 PolarHBondContact O-N 3.4Å; D82-L85 HydrophobicContact CB-CD1 4.44Å; D82-L85 PolarHBondContact O-N 2.94Å; D82-L85 VanDerWaalsContact O-N 3.1Å | ||
| 83 | E | 50.3 | Low | 54.5 | Low | 188 Ų | 188 | 107.6 Ų | 107.6 | 88% | 0.879 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -2.9 | -177.3 | -82.8 | -174.8 | 81 | 0 | 0 | 115.2 | V81 | V81-E83 PolarHBondContact O-N 2.96Š|
| 84 | V | 53.2 | Low | 56.5 | Low | 77 Ų | 77 | 102.1 Ų | 102.1 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -19 | -179.5 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | L9 D82 | L9-V84 HydrophobicContact CD2-CG1 3.84Å; L9-V84 HydrophobicContact CG-CG1 4.41Å; D82-V84 PolarHBondContact O-N 3.4Å |
| 85 | L | 55.4 | Low | 58.7 | Low | 117 Ų | 117 | 95.2 Ų | 95.2 | 61% | 0.613 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -95.3 | -7.3 | -168.5 | -67 | 178.6 | 0 | 0 | 0 | 116.2 | D82 | D82-L85 HydrophobicContact CB-CD1 4.44Å; D82-L85 PolarHBondContact O-N 2.94Å; D82-L85 VanDerWaalsContact O-N 3.1Å |
| 86 | Q | 54.2 | Low | 60.8 | Low | 155 Ų | 155 | 91.5 Ų | 91.5 | 72% | 0.724 | 52% | 0.524 | S | S | * | . | trans | -117.3 | 19.1 | -173.6 | -80.5 | 175.1 | -29.2 | 0 | 0 | 115.3 | P88 | Q86-P88 VanDerWaalsContact O-CD 3.23Å; Q86-P88 WeakPolarHBondContact O-CD 3.28Å | ||
| 87 | I | 59.3 | Low | 63.1 | Low | 53 Ų | 53 | 89.2 Ų | 89.2 | 27% | 0.272 | 51% | 0.509 | S | S | . | . | trans | -77.7 | 113.1 | 170.5 | -50.4 | 168.1 | 0 | 0 | 0 | 108.3 | L91 L92 Y113 | I87-L91 HydrophobicContact CG2-CB 4.21Å; I87-L92 HydrophobicContact CB-CD1 3.87Å; I87-L92 HydrophobicContact CG2-CD1 3.48Å; I87-L92 VanDerWaalsContact CG2-CD1 3.48Å; I87-L92 HydrophobicContact CG2-CG 3.96Å; I87-Y113 HydrophobicContact CD1-CE2 4.46Å; I87-Y113 VanDerWaalsContact CD1-OH 3.22Å; I87-Y113 WeakPolarHBondContact CD1-OH 3.44Å | ||
| 88 | P | 59.1 | Low | 65.2 | Low | 57 Ų | 57 | 92.1 Ų | 92.1 | 37% | 0.37 | 51% | 0.514 | S | S | . | . | trans | -64.1 | 142.3 | -179.7 | 27 | -34.9 | 0 | 0 | 0 | 110.4 | Q86 S90 L91 | Q86-P88 VanDerWaalsContact O-CD 3.23Å; Q86-P88 WeakPolarHBondContact O-CD 3.28Å; P88-S90 PolarHBondContact O-N 2.91Å; P88-L91 HydrophobicContact CG-CB 4.38Å; P88-L91 HydrophobicContact CG-CD1 3.72Å; P88-L91 HydrophobicContact CG-CG 3.94Å; P88-L91 PolarHBondContact O-N 3.43Å | ||
| 89 | P | 58.1 | Low | 67.2 | Low | 88 Ų | 88 | 90.1 Ų | 90.1 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -18 | -173.2 | 23.3 | -33.8 | 0 | 0 | 0 | 114.1 | L91 N100 | P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.85Å; P89-N100 PolarHBondContact O-ND2 2.89Å |
| 90 | S | 62.4 | Low | 69.5 | Low | 85 Ų | 85 | 86.8 Ų | 86.8 | 59% | 0.594 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.2 | 170.4 | 45.1 | 0 | 0 | 0 | 0 | 114.4 | P88 N100 | P88-S90 PolarHBondContact O-N 2.91Å; S90-N100 PolarHBondContact O-ND2 3.14Å |
| 91 | L | 67.9 | Low | 71.5 | Confident | 119 Ų | 119 | 80.9 Ų | 80.9 | 62% | 0.623 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -11 | 179.7 | -65.5 | -178.6 | 0 | 0 | 0 | 114.4 | I87 P88 P89 T93 | I87-L91 HydrophobicContact CG2-CB 4.21Å; P88-L91 HydrophobicContact CG-CB 4.38Å; P88-L91 HydrophobicContact CG-CD1 3.72Å; P88-L91 HydrophobicContact CG-CG 3.94Å; P88-L91 PolarHBondContact O-N 3.43Å; P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.85Å; L91-T93 VanDerWaalsContact C-N 3.34Å; L91-T93 PolarHBondContact O-N 2.95Å |
| 92 | L | 83.5 | Confident | 73.3 | Confident | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.021 | 46% | 0.455 | C | S | . | . | trans | -82.9 | 79.8 | 173.3 | -73.1 | 105.6 | 0 | 0 | 0 | 110.7 | I87 N100 I101 F106 Y113 | I87-L92 HydrophobicContact CB-CD1 3.87Å; I87-L92 HydrophobicContact CG2-CD1 3.48Å; I87-L92 VanDerWaalsContact CG2-CD1 3.48Å; I87-L92 HydrophobicContact CG2-CG 3.96Å; L92-N100 WeakPolarHBondContact O-CA 3.34Å; L92-I101 HydrophobicContact CB-CB 4.21Å; L92-I101 HydrophobicContact CB-CD1 4.48Å; L92-I101 PolarHBondContact O-N 2.88Å; L92-F106 HydrophobicContact CD2-CD2 4Å; L92-F106 HydrophobicContact CD2-CE1 4.32Å; L92-F106 HydrophobicContact CD2-CE2 3.43Å; L92-F106 VanDerWaalsContact CD2-CE2 3.43Å; L92-F106 HydrophobicContact CD2-CZ 3.62Å; L92-Y113 HydrophobicContact CD2-CD1 4.36Å; L92-Y113 HydrophobicContact CD2-CG 4.31Å | ||
| 93 | T | 89.4 | Confident | 75.1 | Confident | 49 Ų | 49 | 76.9 Ų | 76.9 | 30% | 0.301 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -93.5 | 133.1 | 173.6 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | L91 G95 Q98 | L91-T93 VanDerWaalsContact C-N 3.34Å; L91-T93 PolarHBondContact O-N 2.95Å; T93-G95 PolarHBondContact O-N 2.86Å; T93-Q98 HydrophobicContact CG2-CG 4.27Å; T93-Q98 WeakPolarHBondContact CG2-O 3.4Å |
| 94 | C | 91 | Very high | 76.7 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 120.9 | 176.9 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | G96 C97 Q98 Q99 I101 Y113 C118 | C94-G96 PolarHBondContact O-N 2.93Å; C94-G96 PolarHBondContact SG-N 2.91Å; C94-C97 VanDerWaalsContact SG-SG 3.67Å; C94-Q98 VanDerWaalsContact O-CA 3.28Å; C94-Q98 WeakPolarHBondContact O-CA 3.5Å; C94-Q98 PolarHBondContact O-N 3.07Å; C94-Q99 WeakPolarHBondContact CB-O 3.43Å; C94-Q99 PolarHBondContact N-O 3.48Å; C94-I101 HydrophobicContact CB-CD1 4.29Å; C94-I101 HydrophobicContact CB-CG1 3.93Å; C94-Y113 WeakPolarHBondContact CA-O 3.42Å; C94-C118 WeakPolarHBondContact SG-CB 3.37Å |
| 95 | G | 88.1 | Confident | 78.2 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -5.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T93 Y113 | T93-G95 PolarHBondContact O-N 2.86Å; G95-Y113 PolarHBondContact N-O 2.98Å |
| 96 | G | 88.6 | Confident | 79.8 | Confident | 47 Ų | 47 | 69.9 Ų | 69.9 | 49% | 0.485 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -39.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | C94 W114 | C94-G96 PolarHBondContact O-N 2.93Å; C94-G96 PolarHBondContact SG-N 2.91Å; G96-W114 VanDerWaalsContact N-CZ3 3.3Å |
| 97 | C | 91.1 | Very high | 81.5 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 31% | 0.311 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -0.4 | -178.6 | 65.5 | 0 | 0 | 0 | 0 | 114.2 | C94 Q99 H115 | C94-C97 VanDerWaalsContact SG-SG 3.67Å; C97-Q99 PolarHBondContact O-N 3.02Å; C97-H115 PolarHBondContact SG-CE1 2.85Å; C97-H115 PolarHBondContact SG-ND1 3.26Å |
| 98 | Q | 90.3 | Very high | 82.8 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 68% | 0.678 | 36% | 0.361 | S | S | * | . | trans | 58.5 | 13.4 | -178.5 | -140.3 | 65.7 | 29.9 | 0 | 0 | 116 | T93 C94 | T93-Q98 HydrophobicContact CG2-CG 4.27Å; T93-Q98 WeakPolarHBondContact CG2-O 3.4Å; C94-Q98 VanDerWaalsContact O-CA 3.28Å; C94-Q98 WeakPolarHBondContact O-CA 3.5Å; C94-Q98 PolarHBondContact O-N 3.07Å | ||
| 99 | Q | 89.6 | Confident | 84.1 | Confident | 126 Ų | 126 | 61 Ų | 61 | 59% | 0.589 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -93.6 | 155.6 | 176.8 | -66.8 | 170.5 | -14 | 0 | 0 | 111.3 | C94 C97 I101 | C94-Q99 WeakPolarHBondContact CB-O 3.43Å; C94-Q99 PolarHBondContact N-O 3.48Å; C97-Q99 PolarHBondContact O-N 3.02Å; Q99-I101 PolarHBondContact O-N 3.24Å |
| 100 | N | 89.7 | Confident | 85.5 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -64.3 | 132.1 | 171.6 | -68.9 | 89.5 | 0 | 0 | 0 | 110.8 | P89 S90 L92 G102 | P89-N100 PolarHBondContact O-ND2 2.89Å; S90-N100 PolarHBondContact O-ND2 3.14Å; L92-N100 WeakPolarHBondContact O-CA 3.34Å; N100-G102 PolarHBondContact O-N 2.75Å |
| 101 | I | 87.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | trans | -72.8 | 112.9 | 174.9 | -60.6 | 171.2 | 0 | 0 | 0 | 107.6 | R11 L92 C94 Q99 D103 F106 Y113 H115 | R11-I101 PolarHBondContact NH1-O 3.29Å; R11-I101 PolarHBondContact NH2-O 3.28Å; L92-I101 HydrophobicContact CB-CB 4.21Å; L92-I101 HydrophobicContact CB-CD1 4.48Å; L92-I101 PolarHBondContact O-N 2.88Å; C94-I101 HydrophobicContact CB-CD1 4.29Å; C94-I101 HydrophobicContact CB-CG1 3.93Å; Q99-I101 PolarHBondContact O-N 3.24Å; I101-D103 HydrophobicContact CG2-CB 4.4Å; I101-F106 HydrophobicContact CG2-CB 3.77Å; I101-F106 HydrophobicContact CG2-CG 4.18Å; I101-Y113 VanDerWaalsContact CD1-CB 3.46Å; I101-H115 WeakPolarHBondContact CA-NE2 3.4Å | ||
| 102 | G | 83.5 | Confident | 87.5 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | trans | -87.9 | -19.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R11 N100 | R11-G102 PolarHBondContact NH1-O 3.07Å; N100-G102 PolarHBondContact O-N 2.75Å | ||
| 103 | D | 84 | Confident | 87.8 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 40% | 0.401 | 33% | 0.334 | S | S | . | . | trans | -69.5 | 155.1 | -161.6 | -59.2 | -41.9 | 0 | 0 | 0 | 114.8 | I101 Y105 H115 | I101-D103 HydrophobicContact CG2-CB 4.4Å; D103-Y105 VanDerWaalsContact CB-O 3.3Å; D103-Y105 WeakPolarHBondContact CB-O 3.42Å; D103-H115 IonicContact OD2-CD2 3.26Å; D103-H115 PolarHBondContact OD2-CD2 3.46Å; D103-H115 IonicContact OD2-CG 2.75Å; D103-H115 IonicContact OD2-NE2 3.97Å | ||
| 104 | R | 85.1 | Confident | 87.9 | Confident | 131 Ų | 131 | 60.6 Ų | 60.6 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -68.3 | -41.9 | 171.1 | 174.7 | 176.9 | 168.2 | 155 | 3.3 | 111.7 | E10 R11 | E10-R104 CarbonylContact C-O 3.59Å; E10-R104 WeakPolarHBondContact CA-O 3.4Å; E10-R104 IonicContact OE1-CZ 3.49Å; E10-R104 VanDerWaalsContact OE1-CZ 3.26Å; E10-R104 IonicContact OE1-NE 3.69Å; E10-R104 PolarHBondContact OE1-NE 2.79Å; E10-R104 IonicContact OE1-NH2 2.72Å; E10-R104 PolarHBondContact OE1-NH2 2.94Å; R11-R104 PolarHBondContact N-O 2.75Å |
| 105 | Y | 85.2 | Confident | 87.8 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.4 | 178.7 | -62.1 | -95.4 | 0 | 0 | 0 | 108.6 | V8 L9 E10 D103 | V8-Y105 HydrophobicContact CG1-CD1 4.27Å; L9-Y105 WeakPolarHBondContact O-CA 3.39Å; E10-Y105 HydrophobicContact CG-CD1 3.39Å; E10-Y105 HydrophobicContact CG-CE1 3.26Å; E10-Y105 HydrophobicContact CG-CG 4.24Å; E10-Y105 WeakPolarHBondContact OE1-CE1 3.22Å; E10-Y105 VanDerWaalsContact OE1-CZ 3.29Å; E10-Y105 PolarHBondContact OE1-OH 3.1Å; D103-Y105 VanDerWaalsContact CB-O 3.3Å; D103-Y105 WeakPolarHBondContact CB-O 3.42Å |
| 106 | F | 88.3 | Confident | 87.8 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 165.3 | 177.8 | 61.7 | -79.9 | 0 | 0 | 0 | 110.3 | L9 R11 L92 I101 Y113 | L9-F106 HydrophobicContact CB-CD1 4.32Å; L9-F106 HydrophobicContact CB-CD2 4.19Å; L9-F106 HydrophobicContact CB-CE1 3.83Å; L9-F106 HydrophobicContact CB-CE2 3.71Å; L9-F106 HydrophobicContact CB-CG 4.48Å; L9-F106 HydrophobicContact CB-CZ 3.51Å; L9-F106 HydrophobicContact CD2-CE2 3.71Å; L9-F106 HydrophobicContact CD2-CZ 3.83Å; L9-F106 HydrophobicContact CG-CE2 4.29Å; L9-F106 HydrophobicContact CG-CZ 4.33Å; L9-F106 PolarHBondContact N-O 2.86Å; L9-F106 PolarHBondContact O-N 3.05Å; R11-F106 HydrophobicContact CG-CD1 4.26Å; R11-F106 HydrophobicContact CG-CE1 3.67Å; L92-F106 HydrophobicContact CD2-CD2 4Å; L92-F106 HydrophobicContact CD2-CE1 4.32Å; L92-F106 HydrophobicContact CD2-CE2 3.43Å; L92-F106 VanDerWaalsContact CD2-CE2 3.43Å; L92-F106 HydrophobicContact CD2-CZ 3.62Å; I101-F106 HydrophobicContact CG2-CB 3.77Å; I101-F106 HydrophobicContact CG2-CG 4.18Å; F106-Y113 AromaticContact CD2-CD1 3.86Å; F106-Y113 HydrophobicContact CD2-CD1 3.86Å; F106-Y113 AromaticContact CE2-CD1 3.56Å; F106-Y113 HydrophobicContact CE2-CD1 3.56Å; F106-Y113 AromaticContact CE2-CE1 3.89Å; F106-Y113 HydrophobicContact CE2-CE1 3.89Å; F106-Y113 HydrophobicContact CE2-CG 4.46Å |
| 107 | L | 89.3 | Confident | 87.8 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.4 | -173.9 | -54.7 | -179.8 | 0 | 0 | 0 | 110.6 | V6 T7 V8 Y113 W114 L119 | V6-L107 HydrophobicContact CG1-CB 4.16Å; V6-L107 HydrophobicContact CG1-CD1 4.22Å; V6-L107 HydrophobicContact CG1-CD2 4.09Å; V6-L107 HydrophobicContact CG1-CG 4.39Å; T7-L107 WeakPolarHBondContact O-CA 3.3Å; V8-L107 HydrophobicContact CB-CD2 4.31Å; V8-L107 HydrophobicContact CG1-CD2 4.45Å; V8-L107 HydrophobicContact CG2-CD2 3.77Å; L107-Y113 CarbonylContact O-C 3.6Å; L107-Y113 WeakPolarHBondContact O-CA 3.35Å; L107-W114 HydrophobicContact CB-CB 4.41Å; L107-W114 PolarHBondContact N-O 3.03Å; L107-W114 PolarHBondContact O-N 3.2Å; L107-L119 HydrophobicContact CB-CD2 4.23Å; L107-L119 HydrophobicContact CD1-CB 3.96Å; L107-L119 HydrophobicContact CD1-CD2 3.7Å; L107-L119 HydrophobicContact CD1-CG 4.48Å |
| 108 | K | 87.3 | Confident | 87.8 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.4 | 165 | -171.3 | -178.6 | -179.7 | 179 | 0 | 109.2 | T7 L9 Q112 Y113 | T7-K108 PolarHBondContact N-O 3.03Å; T7-K108 VanDerWaalsContact N-O 3.14Å; T7-K108 PolarHBondContact O-N 3.06Å; L9-K108 HydrophobicContact CD1-CB 3.67Å; L9-K108 HydrophobicContact CD2-CB 4.5Å; K108-Q112 WeakPolarHBondContact CA-O 3.41Å; K108-Y113 HydrophobicContact CB-CD1 4.07Å; K108-Y113 HydrophobicContact CB-CE1 4.04Å; K108-Y113 HydrophobicContact CD-CE1 3.86Å; K108-Y113 HydrophobicContact CG-CD1 4.15Å; K108-Y113 HydrophobicContact CG-CE1 3.88Å |
| 109 | A | 87.2 | Confident | 87.8 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 133.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | D111 Q112 W114 L119 L135 | A109-D111 PolarHBondContact O-N 2.95Å; A109-Q112 PolarHBondContact N-O 3.05Å; A109-Q112 PolarHBondContact O-N 2.75Å; A109-Q112 VanDerWaalsContact O-O 3.07Å; A109-W114 PolarHBondContact O-NE1 3.49Å; A109-L119 HydrophobicContact CB-CD1 4.04Å; A109-L119 HydrophobicContact CB-CD2 3.97Å; A109-L135 HydrophobicContact CB-CD2 3.45Å; A109-L135 VanDerWaalsContact CB-CD2 3.45Å |
| 110 | I | 86.3 | Confident | 87.9 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 45.1 | -179.5 | -38.1 | 158.1 | 0 | 0 | 0 | 110.9 | Q112 L135 Y137 | I110-Q112 PolarHBondContact O-N 3.02Å; I110-L135 HydrophobicContact CD1-CD1 3.7Å; I110-L135 HydrophobicContact CG1-CD1 3.68Å; I110-L135 HydrophobicContact CG1-CD2 4.23Å; I110-Y137 HydrophobicContact CD1-CD2 3.4Å; I110-Y137 VanDerWaalsContact CD1-CD2 3.4Å; I110-Y137 HydrophobicContact CD1-CE2 3.92Å; I110-Y137 HydrophobicContact CD1-CG 3.74Å; I110-Y137 HydrophobicContact CG1-CD2 4.43Å; I110-Y137 HydrophobicContact CG1-CG 4.31Å; I110-Y137 HydrophobicContact CG2-CD1 4.18Å; I110-Y137 HydrophobicContact CG2-CE1 4.42Å; I110-Y137 HydrophobicContact CG2-CG 4.37Å |
| 111 | D | 84.6 | Confident | 88 | Confident | 142 Ų | 142 | 50.5 Ų | 50.5 | 76% | 0.759 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 15.8 | -176.2 | -61.1 | -63.9 | 0 | 0 | 0 | 116.3 | A109 | A109-D111 PolarHBondContact O-N 2.95Š|
| 112 | Q | 88.1 | Confident | 88.2 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 162.8 | 175.6 | -66.1 | -178.8 | 28.1 | 0 | 0 | 111.5 | K108 A109 I110 W114 | K108-Q112 WeakPolarHBondContact CA-O 3.41Å; A109-Q112 PolarHBondContact N-O 3.05Å; A109-Q112 PolarHBondContact O-N 2.75Å; A109-Q112 VanDerWaalsContact O-O 3.07Å; I110-Q112 PolarHBondContact O-N 3.02Å; Q112-W114 HydrophobicContact CB-CZ2 4.21Å; Q112-W114 VanDerWaalsContact O-CD1 3.32Å; Q112-W114 PolarHBondContact O-NE1 3.38Å |
| 113 | Y | 88.9 | Confident | 88.5 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 146.5 | 175.9 | -58.4 | -74.8 | 0 | 0 | 0 | 111 | L9 I87 L92 C94 G95 I101 F106 L107 K108 | L9-Y113 HydrophobicContact CD2-CE1 4.21Å; I87-Y113 HydrophobicContact CD1-CE2 4.46Å; I87-Y113 VanDerWaalsContact CD1-OH 3.22Å; I87-Y113 WeakPolarHBondContact CD1-OH 3.44Å; L92-Y113 HydrophobicContact CD2-CD1 4.36Å; L92-Y113 HydrophobicContact CD2-CG 4.31Å; C94-Y113 WeakPolarHBondContact CA-O 3.42Å; G95-Y113 PolarHBondContact N-O 2.98Å; I101-Y113 VanDerWaalsContact CD1-CB 3.46Å; F106-Y113 AromaticContact CD2-CD1 3.86Å; F106-Y113 HydrophobicContact CD2-CD1 3.86Å; F106-Y113 AromaticContact CE2-CD1 3.56Å; F106-Y113 HydrophobicContact CE2-CD1 3.56Å; F106-Y113 AromaticContact CE2-CE1 3.89Å; F106-Y113 HydrophobicContact CE2-CE1 3.89Å; F106-Y113 HydrophobicContact CE2-CG 4.46Å; L107-Y113 CarbonylContact O-C 3.6Å; L107-Y113 WeakPolarHBondContact O-CA 3.35Å; K108-Y113 HydrophobicContact CB-CD1 4.07Å; K108-Y113 HydrophobicContact CB-CE1 4.04Å; K108-Y113 HydrophobicContact CD-CE1 3.86Å; K108-Y113 HydrophobicContact CG-CD1 4.15Å; K108-Y113 HydrophobicContact CG-CE1 3.88Å |
| 114 | W | 91.1 | Very high | 88.8 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 144.4 | -173.4 | -52.2 | 78.6 | 0 | 0 | 0 | 111.1 | G96 L107 A109 Q112 L119 K142 | G96-W114 VanDerWaalsContact N-CZ3 3.3Å; L107-W114 HydrophobicContact CB-CB 4.41Å; L107-W114 PolarHBondContact N-O 3.03Å; L107-W114 PolarHBondContact O-N 3.2Å; A109-W114 PolarHBondContact O-NE1 3.49Å; Q112-W114 HydrophobicContact CB-CZ2 4.21Å; Q112-W114 VanDerWaalsContact O-CD1 3.32Å; Q112-W114 PolarHBondContact O-NE1 3.38Å; W114-L119 HydrophobicContact CB-CB 3.95Å; W114-L119 HydrophobicContact CB-CD1 4.28Å; W114-L119 HydrophobicContact CD2-CD1 3.58Å; W114-L119 HydrophobicContact CE3-CD1 3.97Å; W114-L119 HydrophobicContact CG-CB 4.29Å; W114-L119 HydrophobicContact CG-CD1 3.69Å; W114-L119 HydrophobicContact CG-CG 4.46Å; W114-K142 HydrophobicContact CH2-CD 4.38Å; W114-K142 HydrophobicContact CZ3-CD 4.29Å |
| 115 | H | 90.8 | Very high | 89 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 11% | 0.106 | 26% | 0.264 | C | S | . | . | trans | -65.3 | 154.9 | 161.1 | -54.3 | 129 | 0 | 0 | 0 | 110.5 | C97 I101 D103 D117 C118 L119 | C97-H115 PolarHBondContact SG-CE1 2.85Å; C97-H115 PolarHBondContact SG-ND1 3.26Å; I101-H115 WeakPolarHBondContact CA-NE2 3.4Å; D103-H115 IonicContact OD2-CD2 3.26Å; D103-H115 PolarHBondContact OD2-CD2 3.46Å; D103-H115 IonicContact OD2-CG 2.75Å; D103-H115 IonicContact OD2-NE2 3.97Å; H115-D117 PolarHBondContact O-N 3.48Å; H115-C118 HydrophobicContact CB-CB 4.02Å; H115-C118 PolarHBondContact ND1-SG 3.01Å; H115-C118 VanDerWaalsContact ND1-SG 3.38Å; H115-C118 PolarHBondContact O-N 2.89Å; H115-C118 VanDerWaalsContact O-N 3.15Å; H115-L119 PolarHBondContact O-N 2.82Å | ||
| 116 | E | 87.8 | Confident | 89.2 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -38.3 | 175.3 | -57.9 | -169.9 | 145.8 | 0 | 0 | 112.3 | R127 | E116-R127 IonicContact OE2-NH1 3.69Š|
| 117 | D | 88.8 | Confident | 89.3 | Confident | 103 Ų | 103 | 49.7 Ų | 49.7 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -35 | 177.5 | -67.2 | 70.7 | 0 | 0 | 0 | 113.8 | H115 R127 | H115-D117 PolarHBondContact O-N 3.48Å; D117-R127 IonicContact OD1-CZ 2.69Å; D117-R127 IonicContact OD1-NH2 3.9Å; D117-R127 PolarHBondContact OD1-NH2 3.27Å; D117-R127 IonicContact OD2-CZ 3.99Å; D117-R127 IonicContact OD2-NE 3.67Å; D117-R127 IonicContact OD2-NH2 3.94Å; D117-R127 PolarHBondContact OD2-NH2 3.16Å |
| 118 | C | 90.8 | Very high | 89.3 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -24.3 | -175.2 | -66.2 | 0 | 0 | 0 | 0 | 113 | C94 H115 S120 | C94-C118 WeakPolarHBondContact SG-CB 3.37Å; H115-C118 HydrophobicContact CB-CB 4.02Å; H115-C118 PolarHBondContact ND1-SG 3.01Å; H115-C118 VanDerWaalsContact ND1-SG 3.38Å; H115-C118 PolarHBondContact O-N 2.89Å; H115-C118 VanDerWaalsContact O-N 3.15Å; C118-S120 PolarHBondContact O-N 2.77Å |
| 119 | L | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -83.6 | 65.5 | 175.4 | -164.1 | 73.5 | 0 | 0 | 0 | 111.3 | V6 L107 A109 W114 H115 L128 K142 | V6-L119 HydrophobicContact CG1-CD2 3.9Å; V6-L119 HydrophobicContact CG2-CD2 4.05Å; L107-L119 HydrophobicContact CB-CD2 4.23Å; L107-L119 HydrophobicContact CD1-CB 3.96Å; L107-L119 HydrophobicContact CD1-CD2 3.7Å; L107-L119 HydrophobicContact CD1-CG 4.48Å; A109-L119 HydrophobicContact CB-CD1 4.04Å; A109-L119 HydrophobicContact CB-CD2 3.97Å; W114-L119 HydrophobicContact CB-CB 3.95Å; W114-L119 HydrophobicContact CB-CD1 4.28Å; W114-L119 HydrophobicContact CD2-CD1 3.58Å; W114-L119 HydrophobicContact CE3-CD1 3.97Å; W114-L119 HydrophobicContact CG-CB 4.29Å; W114-L119 HydrophobicContact CG-CD1 3.69Å; W114-L119 HydrophobicContact CG-CG 4.46Å; H115-L119 PolarHBondContact O-N 2.82Å; L119-L128 HydrophobicContact CD2-CB 4.23Å; L119-L128 HydrophobicContact CG-CB 4.12Å; L119-L128 HydrophobicContact CG-CD1 4.28Å; L119-L128 WeakPolarHBondContact O-CB 3.4Å; L119-L128 PolarHBondContact O-N 3.43Å; L119-K142 HydrophobicContact CD1-CD 4.33Å | ||
| 120 | S | 91.7 | Very high | 88.6 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -97.8 | 159.4 | 173.8 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | C118 G125 K142 | C118-S120 PolarHBondContact O-N 2.77Å; S120-G125 WeakPolarHBondContact CB-O 3.31Å; S120-K142 WeakPolarHBondContact O-CD 3.49Å; S120-K142 WeakPolarHBondContact O-CE 3.42Å; S120-K142 WeakPolarHBondContact O-CG 3.29Å |
| 121 | C | 92.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | trans | -76.9 | 135.1 | 172 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | L123 C124 G125 C126 L128 K142 C144 D147 | C121-L123 PolarHBondContact O-N 2.69Å; C121-L123 PolarHBondContact SG-N 2.93Å; C121-C124 WeakPolarHBondContact CB-SG 3.09Å; C121-G125 VanDerWaalsContact O-CA 3.29Å; C121-G125 WeakPolarHBondContact O-CA 3.43Å; C121-G125 PolarHBondContact O-N 2.84Å; C121-C126 PolarHBondContact N-O 3.32Å; C121-L128 HydrophobicContact CB-CD2 3.99Å; C121-L128 HydrophobicContact CB-CG 4.34Å; C121-K142 WeakPolarHBondContact CA-O 3.34Å; C121-C144 HydrophobicContact CB-CB 4.24Å; C121-C144 PolarHBondContact SG-N 2.93Å; C121-D147 PolarHBondContact SG-OD2 3.1Å | ||
| 122 | D | 91.6 | Very high | 87.1 | Confident | 69 Ų | 69 | 51.1 Ų | 51.1 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -6.4 | -179 | -58.9 | -32 | 0 | 0 | 0 | 114.6 | R141 K142 | D122-R141 WeakPolarHBondContact OD2-CA 3.4Å; D122-R141 WeakPolarHBondContact OD2-CB 3.37Å; D122-K142 PolarHBondContact N-O 3.06Å; D122-K142 WeakPolarHBondContact OD1-CG 3.25Å; D122-K142 IonicContact OD1-NZ 2.89Å; D122-K142 PolarHBondContact OD1-NZ 3.44Å; D122-K142 WeakPolarHBondContact OD2-CG 3.39Å; D122-K142 PolarHBondContact OD2-N 3.29Å |
| 123 | L | 90.1 | Very high | 86.2 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -54.2 | 178.1 | -76.2 | -179.7 | 0 | 0 | 0 | 113.9 | C121 L143 D147 L151 | C121-L123 PolarHBondContact O-N 2.69Å; C121-L123 PolarHBondContact SG-N 2.93Å; L123-L143 HydrophobicContact CB-CD2 4.38Å; L123-L143 HydrophobicContact CD1-CD2 3.92Å; L123-L143 HydrophobicContact CG-CD2 3.97Å; L123-D147 HydrophobicContact CB-CB 4.17Å; L123-D147 HydrophobicContact CD1-CB 3.93Å; L123-L151 HydrophobicContact CD1-CD1 3.71Å; L123-L151 HydrophobicContact CD1-CG 4.15Å |
| 124 | C | 90.5 | Very high | 85.7 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -12.9 | 179.1 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | C121 C126 D147 | C121-C124 WeakPolarHBondContact CB-SG 3.09Å; C124-C126 HydrophobicContact CB-CB 4.01Å; C124-C126 WeakPolarHBondContact CB-SG 3.32Å; C124-C126 PolarHBondContact O-N 3.15Å; C124-C126 WeakPolarHBondContact SG-CB 3.35Å; C124-C126 PolarHBondContact SG-N 2.99Å; C124-C126 CovalentContact SG-SG 2.05Å; C124-C126 PolarHBondContact SG-SG 3.22Å; C124-D147 WeakPolarHBondContact CB-OD2 3.47Å; C124-D147 PolarHBondContact N-OD2 3.32Å; C124-D147 PolarHBondContact SG-OD2 3.45Å |
| 125 | G | 89.3 | Confident | 85.6 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 52% | 0.515 | 33% | 0.33 | S | S | . | . | trans | 64.8 | 1.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S120 C121 | S120-G125 WeakPolarHBondContact CB-O 3.31Å; C121-G125 VanDerWaalsContact O-CA 3.29Å; C121-G125 WeakPolarHBondContact O-CA 3.43Å; C121-G125 PolarHBondContact O-N 2.84Å | ||
| 126 | C | 89.6 | Confident | 85.5 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | trans | -77.4 | 136.4 | -172 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | C121 C124 L128 V131 | C121-C126 PolarHBondContact N-O 3.32Å; C124-C126 HydrophobicContact CB-CB 4.01Å; C124-C126 WeakPolarHBondContact CB-SG 3.32Å; C124-C126 PolarHBondContact O-N 3.15Å; C124-C126 WeakPolarHBondContact SG-CB 3.35Å; C124-C126 PolarHBondContact SG-N 2.99Å; C124-C126 CovalentContact SG-SG 2.05Å; C124-C126 PolarHBondContact SG-SG 3.22Å; C126-L128 PolarHBondContact O-N 3.34Å; C126-V131 HydrophobicContact CB-CG2 4.43Å | ||
| 127 | R | 90.4 | Very high | 85.6 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 114.4 | -177.3 | -75.5 | 178.6 | 163.7 | -137.9 | -3.2 | 110.9 | E116 D117 E130 V131 | E116-R127 IonicContact OE2-NH1 3.69Å; D117-R127 IonicContact OD1-CZ 2.69Å; D117-R127 IonicContact OD1-NH2 3.9Å; D117-R127 PolarHBondContact OD1-NH2 3.27Å; D117-R127 IonicContact OD2-CZ 3.99Å; D117-R127 IonicContact OD2-NE 3.67Å; D117-R127 IonicContact OD2-NH2 3.94Å; D117-R127 PolarHBondContact OD2-NH2 3.16Å; R127-E130 HydrophobicContact CB-CB 4.32Å; R127-E130 HydrophobicContact CB-CG 4.36Å; R127-E130 VanDerWaalsContact CD-CD 3.42Å; R127-E130 WeakPolarHBondContact CD-OE1 3.38Å; R127-E130 IonicContact CZ-OE1 3.16Å; R127-E130 IonicContact NE-OE1 3.51Å; R127-E130 IonicContact NH1-OE1 3.27Å; R127-E130 PolarHBondContact NH1-OE1 2.7Å; R127-E130 PolarHBondContact O-N 3.43Å; R127-V131 WeakPolarHBondContact O-CG2 3.48Å; R127-V131 PolarHBondContact O-N 3.3Å; R127-V131 VanDerWaalsContact O-N 3.15Å |
| 128 | L | 88.4 | Confident | 85.6 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.1 | -32.6 | -176.9 | -66 | 168.9 | 0 | 0 | 0 | 112 | L119 C121 C126 E130 G132 L135 K142 C144 | L119-L128 HydrophobicContact CD2-CB 4.23Å; L119-L128 HydrophobicContact CG-CB 4.12Å; L119-L128 HydrophobicContact CG-CD1 4.28Å; L119-L128 WeakPolarHBondContact O-CB 3.4Å; L119-L128 PolarHBondContact O-N 3.43Å; C121-L128 HydrophobicContact CB-CD2 3.99Å; C121-L128 HydrophobicContact CB-CG 4.34Å; C126-L128 PolarHBondContact O-N 3.34Å; L128-E130 VanDerWaalsContact C-N 3.27Å; L128-E130 PolarHBondContact O-N 3.15Å; L128-G132 PolarHBondContact O-N 2.75Å; L128-L135 HydrophobicContact CD1-CB 4.27Å; L128-K142 HydrophobicContact CD1-CB 4.13Å; L128-K142 HydrophobicContact CD1-CG 4.42Å; L128-C144 HydrophobicContact CD2-CB 3.71Å |
| 129 | G | 80.5 | Confident | 85.4 | Confident | 26 Ų | 26 | 68 Ų | 68 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -31.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 130 | E | 79 | Confident | 85.2 | Confident | 133 Ų | 133 | 70.5 Ų | 70.5 | 62% | 0.621 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -91.5 | -45.8 | -178.5 | -68.5 | 176 | -167.1 | 0 | 0 | 113 | R127 L128 G132 | R127-E130 HydrophobicContact CB-CB 4.32Å; R127-E130 HydrophobicContact CB-CG 4.36Å; R127-E130 VanDerWaalsContact CD-CD 3.42Å; R127-E130 WeakPolarHBondContact CD-OE1 3.38Å; R127-E130 IonicContact CZ-OE1 3.16Å; R127-E130 IonicContact NE-OE1 3.51Å; R127-E130 IonicContact NH1-OE1 3.27Å; R127-E130 PolarHBondContact NH1-OE1 2.7Å; R127-E130 PolarHBondContact O-N 3.43Å; L128-E130 VanDerWaalsContact C-N 3.27Å; L128-E130 PolarHBondContact O-N 3.15Å; E130-G132 PolarHBondContact O-N 2.72Å |
| 131 | V | 71.4 | Confident | 85 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 59% | 0.594 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.5 | -20.5 | -171.7 | 176.8 | 0 | 0 | 0 | 0 | 112.2 | C126 R127 | C126-V131 HydrophobicContact CB-CG2 4.43Å; R127-V131 WeakPolarHBondContact O-CG2 3.48Å; R127-V131 PolarHBondContact O-N 3.3Å; R127-V131 VanDerWaalsContact O-N 3.15Å |
| 132 | G | 67.4 | Low | 84.9 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 32% | 0.32 | 39% | 0.393 | S | S | . | . | trans | 174.6 | 145.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L128 E130 R134 | L128-G132 PolarHBondContact O-N 2.75Å; E130-G132 PolarHBondContact O-N 2.72Å; G132-R134 PolarHBondContact O-N 3.25Å | ||
| 133 | R | 69.1 | Low | 84.9 | Confident | 212 Ų | 212 | 73.6 Ų | 73.6 | 80% | 0.8 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -63.5 | 12.4 | -178.5 | -56 | -175.6 | -176.8 | -172.7 | -0.4 | 115.8 | V6 | V6-R133 PolarHBondContact N-O 2.68Š|
| 134 | R | 80.4 | Confident | 84.9 | Confident | 180 Ų | 180 | 69.8 Ų | 69.8 | 68% | 0.679 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 117.6 | -179.9 | -62.2 | -173.8 | -174.9 | -160.4 | 0.5 | 109.1 | S4 G132 | S4-R134 WeakPolarHBondContact O-CA 3.19Å; G132-R134 PolarHBondContact O-N 3.25Å |
| 135 | L | 88.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 162.5 | 169.4 | 77.9 | 106.8 | 0 | 0 | 0 | 109.3 | G3 S4 V6 A109 I110 L128 | G3-L135 CarbonylContact C-O 3.58Å; G3-L135 WeakPolarHBondContact CA-O 3.45Å; S4-L135 PolarHBondContact N-O 3.46Å; S4-L135 PolarHBondContact O-N 2.84Å; V6-L135 HydrophobicContact CG2-CB 4.02Å; V6-L135 HydrophobicContact CG2-CD2 3.6Å; V6-L135 HydrophobicContact CG2-CG 4.34Å; A109-L135 HydrophobicContact CB-CD2 3.45Å; A109-L135 VanDerWaalsContact CB-CD2 3.45Å; I110-L135 HydrophobicContact CD1-CD1 3.7Å; I110-L135 HydrophobicContact CG1-CD1 3.68Å; I110-L135 HydrophobicContact CG1-CD2 4.23Å; L128-L135 HydrophobicContact CD1-CB 4.27Å |
| 136 | Y | 89.4 | Confident | 84.7 | Confident | 29 Ų | 29 | 80.3 Ų | 80.3 | 11% | 0.114 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.7 | 171.7 | -64.3 | -99.3 | 0 | 0 | 0 | 108.7 | L143 R145 Y148 | Y136-L143 PolarHBondContact N-O 3.29Å; Y136-L143 PolarHBondContact O-N 2.9Å; Y136-R145 HydrophobicContact CD2-CB 4.37Å; Y136-R145 HydrophobicContact CE2-CB 3.68Å; Y136-R145 HydrophobicContact CE2-CG 3.98Å; Y136-Y148 VanDerWaalsContact CB-CD2 3.4Å; Y136-Y148 AromaticContact CD1-CD1 3.56Å; Y136-Y148 HydrophobicContact CD1-CD1 3.56Å; Y136-Y148 AromaticContact CD1-CD2 3.95Å; Y136-Y148 HydrophobicContact CD1-CD2 3.95Å; Y136-Y148 AromaticContact CD1-CE1 3.85Å; Y136-Y148 HydrophobicContact CD1-CE1 3.85Å; Y136-Y148 HydrophobicContact CD1-CE2 4.18Å; Y136-Y148 AromaticContact CD1-CG 3.64Å; Y136-Y148 HydrophobicContact CD1-CG 3.64Å; Y136-Y148 HydrophobicContact CD2-CG 4.41Å; Y136-Y148 HydrophobicContact CE1-CD1 4Å; Y136-Y148 HydrophobicContact CE1-CE1 4.24Å; Y136-Y148 HydrophobicContact CE1-CG 4.46Å; Y136-Y148 AromaticContact CG-CD1 3.98Å; Y136-Y148 HydrophobicContact CG-CD1 3.98Å; Y136-Y148 AromaticContact CG-CD2 3.93Å; Y136-Y148 HydrophobicContact CG-CD2 3.93Å; Y136-Y148 AromaticContact CG-CG 3.6Å; Y136-Y148 HydrophobicContact CG-CG 3.6Å |
| 137 | Y | 89.1 | Confident | 84.7 | Confident | 101 Ų | 101 | 79 Ų | 79 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.7 | 177.7 | -169.1 | -109.5 | 0 | 0 | 0 | 109.6 | I110 G140 R141 K142 | I110-Y137 HydrophobicContact CD1-CD2 3.4Å; I110-Y137 VanDerWaalsContact CD1-CD2 3.4Å; I110-Y137 HydrophobicContact CD1-CE2 3.92Å; I110-Y137 HydrophobicContact CD1-CG 3.74Å; I110-Y137 HydrophobicContact CG1-CD2 4.43Å; I110-Y137 HydrophobicContact CG1-CG 4.31Å; I110-Y137 HydrophobicContact CG2-CD1 4.18Å; I110-Y137 HydrophobicContact CG2-CE1 4.42Å; I110-Y137 HydrophobicContact CG2-CG 4.37Å; Y137-G140 VanDerWaalsContact CE2-C 3.45Å; Y137-G140 WeakPolarHBondContact CE2-O 3.44Å; Y137-G140 WeakPolarHBondContact OH-CA 3.4Å; Y137-G140 PolarHBondContact OH-O 2.84Å; Y137-R141 WeakPolarHBondContact CA-O 3.47Å; Y137-R141 VanDerWaalsContact CD2-O 3.31Å; Y137-R141 WeakPolarHBondContact CD2-O 3.47Å; Y137-K142 HydrophobicContact CD2-CB 4.32Å |
| 138 | K | 88.1 | Confident | 84.7 | Confident | 80 Ų | 80 | 76.9 Ų | 76.9 | 35% | 0.348 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 140.2 | 179.4 | -164.7 | 167 | 178.7 | -179.7 | 0 | 110.9 | G140 R141 Y148 F152 | K138-G140 PolarHBondContact O-N 3.44Å; K138-R141 PolarHBondContact N-O 3.49Å; K138-R141 PolarHBondContact O-N 3.4Å; K138-Y148 HydrophobicContact CB-CE2 4.19Å; K138-Y148 HydrophobicContact CD-CE2 3.86Å; K138-F152 HydrophobicContact CB-CD2 4.41Å; K138-F152 HydrophobicContact CB-CE2 3.9Å; K138-F152 HydrophobicContact CB-CZ 4.21Å; K138-F152 HydrophobicContact CD-CB 4.47Å; K138-F152 HydrophobicContact CD-CD1 3.95Å; K138-F152 HydrophobicContact CD-CD2 3.89Å; K138-F152 HydrophobicContact CD-CE1 4.05Å; K138-F152 HydrophobicContact CD-CE2 3.99Å; K138-F152 HydrophobicContact CD-CG 3.85Å; K138-F152 HydrophobicContact CD-CZ 4.07Å; K138-F152 HydrophobicContact CG-CE1 4.37Å; K138-F152 HydrophobicContact CG-CE2 4.12Å; K138-F152 HydrophobicContact CG-CZ 4.04Å |
| 139 | L | 86.8 | Confident | 84.7 | Confident | 141 Ų | 141 | 78.7 Ų | 78.7 | 74% | 0.738 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 41.6 | -175.8 | -58.7 | -179.9 | 0 | 0 | 0 | 113.3 | R141 F152 | L139-R141 PolarHBondContact O-N 3.06Å; L139-F152 HydrophobicContact CD1-CE1 3.86Å; L139-F152 HydrophobicContact CD1-CZ 3.92Å; L139-F152 HydrophobicContact CG-CE1 4.43Å; L139-F152 HydrophobicContact CG-CZ 4.26Å |
| 140 | G | 85.9 | Confident | 85 | Confident | 53 Ų | 53 | 85.3 Ų | 85.3 | 55% | 0.546 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -0.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y137 K138 | Y137-G140 VanDerWaalsContact CE2-C 3.45Å; Y137-G140 WeakPolarHBondContact CE2-O 3.44Å; Y137-G140 WeakPolarHBondContact OH-CA 3.4Å; Y137-G140 PolarHBondContact OH-O 2.84Å; K138-G140 PolarHBondContact O-N 3.44Å |
| 141 | R | 88.9 | Confident | 85.3 | Confident | 135 Ų | 135 | 83.3 Ų | 83.3 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138.4 | -173.1 | -61.1 | -178 | -172.9 | -145.5 | -0.4 | 112.7 | D122 Y137 K138 L139 L143 | D122-R141 WeakPolarHBondContact OD2-CA 3.4Å; D122-R141 WeakPolarHBondContact OD2-CB 3.37Å; Y137-R141 WeakPolarHBondContact CA-O 3.47Å; Y137-R141 VanDerWaalsContact CD2-O 3.31Å; Y137-R141 WeakPolarHBondContact CD2-O 3.47Å; K138-R141 PolarHBondContact N-O 3.49Å; K138-R141 PolarHBondContact O-N 3.4Å; L139-R141 PolarHBondContact O-N 3.06Å; R141-L143 HydrophobicContact CB-CG 4.39Å |
| 142 | K | 89.9 | Confident | 86 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.1 | 173.6 | 55.7 | -175.2 | -175.1 | -49.6 | 0 | 109.9 | W114 L119 S120 C121 D122 L128 Y137 | W114-K142 HydrophobicContact CH2-CD 4.38Å; W114-K142 HydrophobicContact CZ3-CD 4.29Å; L119-K142 HydrophobicContact CD1-CD 4.33Å; S120-K142 WeakPolarHBondContact O-CD 3.49Å; S120-K142 WeakPolarHBondContact O-CE 3.42Å; S120-K142 WeakPolarHBondContact O-CG 3.29Å; C121-K142 WeakPolarHBondContact CA-O 3.34Å; D122-K142 PolarHBondContact N-O 3.06Å; D122-K142 WeakPolarHBondContact OD1-CG 3.25Å; D122-K142 IonicContact OD1-NZ 2.89Å; D122-K142 PolarHBondContact OD1-NZ 3.44Å; D122-K142 WeakPolarHBondContact OD2-CG 3.39Å; D122-K142 PolarHBondContact OD2-N 3.29Å; L128-K142 HydrophobicContact CD1-CB 4.13Å; L128-K142 HydrophobicContact CD1-CG 4.42Å; Y137-K142 HydrophobicContact CD2-CB 4.32Å |
| 143 | L | 90.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.3 | -169.5 | -63.1 | 177 | 0 | 0 | 0 | 112.3 | L123 Y136 R141 D147 L151 F152 | L123-L143 HydrophobicContact CB-CD2 4.38Å; L123-L143 HydrophobicContact CD1-CD2 3.92Å; L123-L143 HydrophobicContact CG-CD2 3.97Å; Y136-L143 PolarHBondContact N-O 3.29Å; Y136-L143 PolarHBondContact O-N 2.9Å; R141-L143 HydrophobicContact CB-CG 4.39Å; L143-D147 HydrophobicContact CD2-CB 4.43Å; L143-L151 HydrophobicContact CD1-CD1 3.92Å; L143-F152 HydrophobicContact CD1-CD2 4.31Å; L143-F152 HydrophobicContact CD1-CE2 3.75Å |
| 144 | C | 90.4 | Very high | 87.4 | Confident | 8 Ų | 8 | 79.8 Ų | 79.8 | 5% | 0.054 | 36% | 0.359 | C | S | . | . | trans | -74.5 | 160.9 | 168.5 | 84.6 | 0 | 0 | 0 | 0 | 110.2 | C121 L128 R146 D147 Y148 | C121-C144 HydrophobicContact CB-CB 4.24Å; C121-C144 PolarHBondContact SG-N 2.93Å; L128-C144 HydrophobicContact CD2-CB 3.71Å; C144-R146 PolarHBondContact O-N 3.42Å; C144-R146 VanDerWaalsContact O-N 3.14Å; C144-D147 PolarHBondContact O-N 3.16Å; C144-D147 VanDerWaalsContact O-N 3.16Å; C144-D147 PolarHBondContact SG-N 3.14Å; C144-D147 VanDerWaalsContact SG-N 3.42Å; C144-D147 PolarHBondContact SG-OD2 2.87Å; C144-Y148 WeakPolarHBondContact O-CB 3.35Å; C144-Y148 PolarHBondContact O-N 3.17Å | ||
| 145 | R | 87.1 | Confident | 87.7 | Confident | 170 Ų | 170 | 74.7 Ų | 74.7 | 64% | 0.642 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -50.6 | -42.1 | 179.5 | -175.7 | 176.5 | 173.7 | 176.8 | -1 | 113.1 | Y136 L149 | Y136-R145 HydrophobicContact CD2-CB 4.37Å; Y136-R145 HydrophobicContact CE2-CB 3.68Å; Y136-R145 HydrophobicContact CE2-CG 3.98Å; R145-L149 HydrophobicContact CG-CD1 4.01Å; R145-L149 WeakPolarHBondContact O-CB 3.2Å; R145-L149 VanDerWaalsContact O-CG 3.24Å; R145-L149 WeakPolarHBondContact O-CG 3.29Å; R145-L149 PolarHBondContact O-N 2.05Å |
| 146 | R | 88.4 | Confident | 87.6 | Confident | 147 Ų | 147 | 76 Ų | 76 | 56% | 0.555 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.3 | -47.4 | -178.3 | -170.4 | -178.6 | 64.8 | -175.3 | -3 | 111.6 | C144 L149 R150 Y168 | C144-R146 PolarHBondContact O-N 3.42Å; C144-R146 VanDerWaalsContact O-N 3.14Å; R146-L149 PolarHBondContact O-N 3.2Å; R146-R150 WeakPolarHBondContact O-CB 3.11Å; R146-R150 PolarHBondContact O-N 2.95Å; R146-Y168 HydrophobicContact CG-CD2 4.4Å; R146-Y168 HydrophobicContact CG-CG 4.43Å; R146-Y168 WeakPolarHBondContact O-CB 3.48Å |
| 147 | D | 89.8 | Confident | 87.7 | Confident | 8 Ų | 8 | 80 Ų | 80 | 4% | 0.043 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -75.4 | -33.4 | -176.8 | -59 | -31.7 | 0 | 0 | 0 | 111.8 | C121 L123 C124 L143 C144 R150 L151 | C121-D147 PolarHBondContact SG-OD2 3.1Å; L123-D147 HydrophobicContact CB-CB 4.17Å; L123-D147 HydrophobicContact CD1-CB 3.93Å; C124-D147 WeakPolarHBondContact CB-OD2 3.47Å; C124-D147 PolarHBondContact N-OD2 3.32Å; C124-D147 PolarHBondContact SG-OD2 3.45Å; L143-D147 HydrophobicContact CD2-CB 4.43Å; C144-D147 PolarHBondContact O-N 3.16Å; C144-D147 VanDerWaalsContact O-N 3.16Å; C144-D147 PolarHBondContact SG-N 3.14Å; C144-D147 VanDerWaalsContact SG-N 3.42Å; C144-D147 PolarHBondContact SG-OD2 2.87Å; D147-R150 WeakPolarHBondContact O-CB 3.24Å; D147-R150 PolarHBondContact O-N 3.03Å; D147-L151 PolarHBondContact O-N 3.2Å |
| 148 | Y | 90.1 | Very high | 88 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 169.6 | 177.1 | -91.2 | 0 | 0 | 0 | 111.7 | Y136 K138 C144 R150 L151 F152 | Y136-Y148 VanDerWaalsContact CB-CD2 3.4Å; Y136-Y148 AromaticContact CD1-CD1 3.56Å; Y136-Y148 HydrophobicContact CD1-CD1 3.56Å; Y136-Y148 AromaticContact CD1-CD2 3.95Å; Y136-Y148 HydrophobicContact CD1-CD2 3.95Å; Y136-Y148 AromaticContact CD1-CE1 3.85Å; Y136-Y148 HydrophobicContact CD1-CE1 3.85Å; Y136-Y148 HydrophobicContact CD1-CE2 4.18Å; Y136-Y148 AromaticContact CD1-CG 3.64Å; Y136-Y148 HydrophobicContact CD1-CG 3.64Å; Y136-Y148 HydrophobicContact CD2-CG 4.41Å; Y136-Y148 HydrophobicContact CE1-CD1 4Å; Y136-Y148 HydrophobicContact CE1-CE1 4.24Å; Y136-Y148 HydrophobicContact CE1-CG 4.46Å; Y136-Y148 AromaticContact CG-CD1 3.98Å; Y136-Y148 HydrophobicContact CG-CD1 3.98Å; Y136-Y148 AromaticContact CG-CD2 3.93Å; Y136-Y148 HydrophobicContact CG-CD2 3.93Å; Y136-Y148 AromaticContact CG-CG 3.6Å; Y136-Y148 HydrophobicContact CG-CG 3.6Å; K138-Y148 HydrophobicContact CB-CE2 4.19Å; K138-Y148 HydrophobicContact CD-CE2 3.86Å; C144-Y148 WeakPolarHBondContact O-CB 3.35Å; C144-Y148 PolarHBondContact O-N 3.17Å; Y148-R150 VanDerWaalsContact C-N 3.29Å; Y148-R150 PolarHBondContact O-N 3.06Å; Y148-L151 PolarHBondContact O-N 2.71Å; Y148-F152 AromaticContact CD2-CD2 3.63Å; Y148-F152 HydrophobicContact CD2-CD2 3.63Å; Y148-F152 HydrophobicContact CD2-CE2 4.34Å; Y148-F152 HydrophobicContact CE1-CB 4.4Å; Y148-F152 HydrophobicContact CE2-CB 4.12Å; Y148-F152 AromaticContact CE2-CD2 3.69Å; Y148-F152 HydrophobicContact CE2-CD2 3.69Å; Y148-F152 HydrophobicContact CE2-CE2 4.49Å; Y148-F152 HydrophobicContact CE2-CG 4.24Å; Y148-F152 HydrophobicContact CG-CD2 4.38Å; Y148-F152 PolarHBondContact O-N 2.82Å |
| 149 | L | 88.6 | Confident | 88.2 | Confident | 41 Ų | 41 | 72.4 Ų | 72.4 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 175.4 | -71.8 | 169.8 | 0 | 0 | 0 | 111.4 | R145 R146 L151 G153 A167 | R145-L149 HydrophobicContact CG-CD1 4.01Å; R145-L149 WeakPolarHBondContact O-CB 3.2Å; R145-L149 VanDerWaalsContact O-CG 3.24Å; R145-L149 WeakPolarHBondContact O-CG 3.29Å; R145-L149 PolarHBondContact O-N 2.05Å; R146-L149 PolarHBondContact O-N 3.2Å; L149-L151 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 3.47Å; L149-G153 VanDerWaalsContact O-CA 3.25Å; L149-G153 WeakPolarHBondContact O-CA 3.46Å; L149-G153 PolarHBondContact O-N 3.04Å; L149-A167 HydrophobicContact CB-CB 4.31Å; L149-A167 WeakPolarHBondContact O-CB 3.18Å |
| 150 | R | 86.5 | Confident | 88.5 | Confident | 165 Ų | 165 | 68.5 Ų | 68.5 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.4 | -34.2 | 175.6 | -176.7 | 172.6 | -179.7 | -179.8 | 2.3 | 114.3 | R146 D147 Y148 Y168 | R146-R150 WeakPolarHBondContact O-CB 3.11Å; R146-R150 PolarHBondContact O-N 2.95Å; D147-R150 WeakPolarHBondContact O-CB 3.24Å; D147-R150 PolarHBondContact O-N 3.03Å; Y148-R150 VanDerWaalsContact C-N 3.29Å; Y148-R150 PolarHBondContact O-N 3.06Å; R150-Y168 HydrophobicContact CB-CD1 3.52Å; R150-Y168 HydrophobicContact CB-CE1 4.05Å; R150-Y168 HydrophobicContact CB-CG 4.27Å; R150-Y168 HydrophobicContact CG-CD1 3.71Å; R150-Y168 HydrophobicContact CG-CE1 3.69Å |
| 151 | L | 85.6 | Confident | 88.8 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -93.6 | -35.3 | -179.9 | -71.3 | -177.5 | 0 | 0 | 0 | 114.2 | L123 L143 D147 Y148 L149 | L123-L151 HydrophobicContact CD1-CD1 3.71Å; L123-L151 HydrophobicContact CD1-CG 4.15Å; L143-L151 HydrophobicContact CD1-CD1 3.92Å; D147-L151 PolarHBondContact O-N 3.2Å; Y148-L151 PolarHBondContact O-N 2.71Å; L149-L151 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 3.47Å |
| 152 | F | 85.9 | Confident | 88.9 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 27% | 0.268 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -132.2 | -0.1 | -167.1 | -52.8 | -68.1 | 0 | 0 | 0 | 114.4 | K138 L139 L143 Y148 | K138-F152 HydrophobicContact CB-CD2 4.41Å; K138-F152 HydrophobicContact CB-CE2 3.9Å; K138-F152 HydrophobicContact CB-CZ 4.21Å; K138-F152 HydrophobicContact CD-CB 4.47Å; K138-F152 HydrophobicContact CD-CD1 3.95Å; K138-F152 HydrophobicContact CD-CD2 3.89Å; K138-F152 HydrophobicContact CD-CE1 4.05Å; K138-F152 HydrophobicContact CD-CE2 3.99Å; K138-F152 HydrophobicContact CD-CG 3.85Å; K138-F152 HydrophobicContact CD-CZ 4.07Å; K138-F152 HydrophobicContact CG-CE1 4.37Å; K138-F152 HydrophobicContact CG-CE2 4.12Å; K138-F152 HydrophobicContact CG-CZ 4.04Å; L139-F152 HydrophobicContact CD1-CE1 3.86Å; L139-F152 HydrophobicContact CD1-CZ 3.92Å; L139-F152 HydrophobicContact CG-CE1 4.43Å; L139-F152 HydrophobicContact CG-CZ 4.26Å; L143-F152 HydrophobicContact CD1-CD2 4.31Å; L143-F152 HydrophobicContact CD1-CE2 3.75Å; Y148-F152 AromaticContact CD2-CD2 3.63Å; Y148-F152 HydrophobicContact CD2-CD2 3.63Å; Y148-F152 HydrophobicContact CD2-CE2 4.34Å; Y148-F152 HydrophobicContact CE1-CB 4.4Å; Y148-F152 HydrophobicContact CE2-CB 4.12Å; Y148-F152 AromaticContact CE2-CD2 3.69Å; Y148-F152 HydrophobicContact CE2-CD2 3.69Å; Y148-F152 HydrophobicContact CE2-CE2 4.49Å; Y148-F152 HydrophobicContact CE2-CG 4.24Å; Y148-F152 HydrophobicContact CG-CD2 4.38Å; Y148-F152 PolarHBondContact O-N 2.82Å |
| 153 | G | 83.9 | Confident | 89 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -76.1 | 150.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L149 D155 A167 | L149-G153 VanDerWaalsContact O-CA 3.25Å; L149-G153 WeakPolarHBondContact O-CA 3.46Å; L149-G153 PolarHBondContact O-N 3.04Å; G153-D155 PolarHBondContact O-N 2.72Å; G153-A167 VanDerWaalsContact C-CB 3.5Å |
| 154 | Q | 82.3 | Confident | 89 | Confident | 184 Ų | 184 | 80.7 Ų | 80.7 | 86% | 0.86 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 122.7 | 176.3 | -68.3 | 168.6 | -11 | 0 | 0 | 109.5 | A167 | Q154-A167 VanDerWaalsContact O-CB 3.29Å; Q154-A167 WeakPolarHBondContact O-CB 3.33Å |
| 155 | D | 85.9 | Confident | 89 | Confident | 72 Ų | 72 | 80.6 Ų | 80.6 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 141 | 171.8 | 48.8 | -31.4 | 0 | 0 | 0 | 111.3 | G153 R164 I165 | G153-D155 PolarHBondContact O-N 2.72Å; D155-R164 WeakPolarHBondContact OD2-CD 3.39Å; D155-R164 IonicContact OD2-CZ 3.83Å; D155-R164 IonicContact OD2-NE 2.95Å; D155-R164 IonicContact OD2-NH1 3.92Å; D155-R164 PolarHBondContact OD2-NH1 2.77Å; D155-I165 WeakPolarHBondContact CA-O 3.34Å; D155-I165 WeakPolarHBondContact CB-O 3.4Å |
| 156 | G | 86.3 | Confident | 89 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 171.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R164 I165 | G156-R164 CarbonylContact O-C 3.47Å; G156-R164 WeakPolarHBondContact O-CA 3.3Å; G156-I165 PolarHBondContact N-O 3.35Å; G156-I165 VanDerWaalsContact N-O 3.08Å; G156-I165 PolarHBondContact O-N 2.8Å |
| 157 | L | 92 | Very high | 88.8 | Confident | 112 Ų | 112 | 73.2 Ų | 73.2 | 59% | 0.586 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.1 | 167.9 | -67.4 | 172.8 | 0 | 0 | 0 | 109.2 | R164 | L157-R164 HydrophobicContact CD2-CG 3.88Å |
| 158 | C | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | trans | -80.8 | 115.5 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | S160 C161 D162 K163 I165 V178 H180 | C158-S160 PolarHBondContact O-N 2.96Å; C158-C161 PolarHBondContact O-N 2.87Å; C158-D162 WeakPolarHBondContact O-CA 3.23Å; C158-D162 PolarHBondContact O-N 2.88Å; C158-K163 PolarHBondContact N-O 3.08Å; C158-I165 HydrophobicContact CB-CD1 3.99Å; C158-I165 HydrophobicContact CB-CG1 3.88Å; C158-V178 WeakPolarHBondContact CA-O 3.46Å; C158-H180 WeakPolarHBondContact CB-CE1 3.42Å; C158-H180 VanDerWaalsContact CB-ND1 3.35Å; C158-H180 WeakPolarHBondContact CB-ND1 3.1Å; C158-H180 PolarHBondContact SG-ND1 2.99Å; C158-H180 VanDerWaalsContact SG-ND1 3.36Å | ||
| 159 | A | 92.9 | Very high | 88.3 | Confident | 21 Ų | 21 | 79.9 Ų | 79.9 | 17% | 0.174 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -0.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K177 V178 Y179 S204 | A159-K177 HydrophobicContact CB-CB 4Å; A159-K177 HydrophobicContact CB-CD 3.85Å; A159-K177 HydrophobicContact CB-CG 4.12Å; A159-V178 PolarHBondContact N-O 3.07Å; A159-Y179 HydrophobicContact CB-CD1 4.44Å; A159-Y179 HydrophobicContact CB-CE1 3.79Å; A159-S204 WeakPolarHBondContact O-CB 3.42Å |
| 160 | S | 91.9 | Very high | 88.2 | Confident | 59 Ų | 59 | 84.8 Ų | 84.8 | 41% | 0.413 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -19.4 | 176.3 | 160.4 | 0 | 0 | 0 | 0 | 113.9 | C158 | C158-S160 PolarHBondContact O-N 2.96Š|
| 161 | C | 92.8 | Very high | 88.5 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 4 | -177.2 | 72.4 | 0 | 0 | 0 | 0 | 114.5 | C158 K163 H180 | C158-C161 PolarHBondContact O-N 2.87Å; C161-K163 PolarHBondContact O-N 3.49Å; C161-H180 PolarHBondContact SG-ND1 2.98Å |
| 162 | D | 91.8 | Very high | 88.8 | Confident | 130 Ų | 130 | 78.8 Ų | 78.8 | 70% | 0.695 | 40% | 0.399 | S | S | * | . | trans | 52.8 | 11.8 | 177.6 | -58 | -54.4 | 0 | 0 | 0 | 116.2 | C158 | C158-D162 WeakPolarHBondContact O-CA 3.23Å; C158-D162 PolarHBondContact O-N 2.88Å | ||
| 163 | K | 92.3 | Very high | 89 | Confident | 145 Ų | 145 | 83.9 Ų | 83.9 | 63% | 0.63 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 148.9 | 173.6 | -68.3 | 171.8 | -172.8 | 178.9 | 0 | 110.9 | C158 C161 I165 | C158-K163 PolarHBondContact N-O 3.08Å; C161-K163 PolarHBondContact O-N 3.49Å; K163-I165 PolarHBondContact O-N 3Å |
| 164 | R | 90.1 | Very high | 89.3 | Confident | 163 Ų | 163 | 83 Ų | 83 | 62% | 0.615 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 117.7 | 173.8 | -70.7 | -176.2 | -178.9 | -135.1 | 7.3 | 111.2 | D155 G156 L157 | D155-R164 WeakPolarHBondContact OD2-CD 3.39Å; D155-R164 IonicContact OD2-CZ 3.83Å; D155-R164 IonicContact OD2-NE 2.95Å; D155-R164 IonicContact OD2-NH1 3.92Å; D155-R164 PolarHBondContact OD2-NH1 2.77Å; G156-R164 CarbonylContact O-C 3.47Å; G156-R164 WeakPolarHBondContact O-CA 3.3Å; L157-R164 HydrophobicContact CD2-CG 3.88Å |
| 165 | I | 91.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 81.4 Ų | 81.4 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.2 | 169.5 | -52.8 | 177.6 | 0 | 0 | 0 | 108.3 | D155 G156 C158 K163 E169 T171 V178 | D155-I165 WeakPolarHBondContact CA-O 3.34Å; D155-I165 WeakPolarHBondContact CB-O 3.4Å; G156-I165 PolarHBondContact N-O 3.35Å; G156-I165 VanDerWaalsContact N-O 3.08Å; G156-I165 PolarHBondContact O-N 2.8Å; C158-I165 HydrophobicContact CB-CD1 3.99Å; C158-I165 HydrophobicContact CB-CG1 3.88Å; K163-I165 PolarHBondContact O-N 3Å; I165-E169 HydrophobicContact CG2-CB 4.32Å; I165-T171 HydrophobicContact CB-CG2 4.45Å; I165-T171 HydrophobicContact CD1-CG2 3.89Å; I165-T171 HydrophobicContact CG2-CG2 3.26Å; I165-V178 HydrophobicContact CD1-CB 4.07Å; I165-V178 HydrophobicContact CD1-CG1 3.56Å |
| 166 | R | 87.1 | Confident | 89.8 | Confident | 130 Ų | 130 | 84.4 Ų | 84.4 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 141.7 | 174.4 | -59.5 | -57.1 | -173.6 | 166.8 | -0.1 | 111.1 | Y168 E169 | R166-Y168 HydrophobicContact CB-CD1 3.67Å; R166-Y168 HydrophobicContact CB-CE1 3.37Å; R166-Y168 HydrophobicContact CB-CG 4.46Å; R166-Y168 HydrophobicContact CG-CE1 3.82Å; R166-Y168 PolarHBondContact O-N 2.87Å; R166-E169 HydrophobicContact CB-CB 4.38Å; R166-E169 PolarHBondContact N-OE2 2.8Å; R166-E169 WeakPolarHBondContact O-CB 3.39Å; R166-E169 PolarHBondContact O-N 2.85Å |
| 167 | A | 84.3 | Confident | 90 | Very high | 32 Ų | 32 | 86.1 Ų | 86.1 | 26% | 0.264 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L149 G153 Q154 | L149-A167 HydrophobicContact CB-CB 4.31Å; L149-A167 WeakPolarHBondContact O-CB 3.18Å; G153-A167 VanDerWaalsContact C-CB 3.5Å; Q154-A167 VanDerWaalsContact O-CB 3.29Å; Q154-A167 WeakPolarHBondContact O-CB 3.33Å |
| 168 | Y | 82.1 | Confident | 90 | Very high | 96 Ų | 96 | 82.7 Ų | 82.7 | 38% | 0.376 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -7.6 | 173 | 69.7 | -96.1 | 0 | 0 | 0 | 113.5 | R146 R150 R166 | R146-Y168 HydrophobicContact CG-CD2 4.4Å; R146-Y168 HydrophobicContact CG-CG 4.43Å; R146-Y168 WeakPolarHBondContact O-CB 3.48Å; R150-Y168 HydrophobicContact CB-CD1 3.52Å; R150-Y168 HydrophobicContact CB-CE1 4.05Å; R150-Y168 HydrophobicContact CB-CG 4.27Å; R150-Y168 HydrophobicContact CG-CD1 3.71Å; R150-Y168 HydrophobicContact CG-CE1 3.69Å; R166-Y168 HydrophobicContact CB-CD1 3.67Å; R166-Y168 HydrophobicContact CB-CE1 3.37Å; R166-Y168 HydrophobicContact CB-CG 4.46Å; R166-Y168 HydrophobicContact CG-CE1 3.82Å; R166-Y168 PolarHBondContact O-N 2.87Å |
| 169 | E | 86.8 | Confident | 90 | Very high | 77 Ų | 77 | 82.8 Ų | 82.8 | 36% | 0.36 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -83.8 | 147.3 | -175.8 | -163.9 | 173.4 | 175.3 | 0 | 0 | 110.6 | I165 R166 H180 | I165-E169 HydrophobicContact CG2-CB 4.32Å; R166-E169 HydrophobicContact CB-CB 4.38Å; R166-E169 PolarHBondContact N-OE2 2.8Å; R166-E169 WeakPolarHBondContact O-CB 3.39Å; R166-E169 PolarHBondContact O-N 2.85Å; E169-H180 IonicContact OE1-CD2 2.7Å; E169-H180 PolarHBondContact OE1-CD2 2.91Å; E169-H180 VanDerWaalsContact OE1-CD2 3.27Å; E169-H180 IonicContact OE2-CD2 3.9Å |
| 170 | M | 87.3 | Confident | 90 | Very high | 144 Ų | 144 | 82.8 Ų | 82.8 | 71% | 0.709 | 39% | 0.392 | S | S | * | . | trans | -83.5 | 130 | 177.4 | -69.3 | 175.3 | 59.4 | 0 | 0 | 109.8 | L181 | M170-L181 HydrophobicContact CB-CD1 3.65Š| ||
| 171 | T | 91.5 | Very high | 90 | Very high | 58 Ų | 58 | 83.8 Ų | 83.8 | 36% | 0.356 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.5 | -175.6 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | I165 V178 Y179 | I165-T171 HydrophobicContact CB-CG2 4.45Å; I165-T171 HydrophobicContact CD1-CG2 3.89Å; I165-T171 HydrophobicContact CG2-CG2 3.26Å; T171-V178 HydrophobicContact CG2-CG1 3.82Å; T171-Y179 CarbonylContact C-O 3.56Å; T171-Y179 WeakPolarHBondContact CA-O 3.34Å; T171-Y179 WeakPolarHBondContact CB-O 3.35Å |
| 172 | M | 91.6 | Very high | 90 | Very high | 71 Ų | 71 | 89.4 Ų | 89.4 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 136.3 | 161.7 | -69.5 | -62.8 | -157.2 | 0 | 0 | 109.9 | V178 Y179 L181 F184 | M172-V178 WeakPolarHBondContact O-CA 3.34Å; M172-Y179 PolarHBondContact N-O 3.22Å; M172-Y179 PolarHBondContact O-N 3.47Å; M172-L181 HydrophobicContact CE-CD2 4.08Å; M172-L181 HydrophobicContact CG-CD2 3.93Å; M172-L181 HydrophobicContact SD-CD2 4.34Å; M172-F184 HydrophobicContact CB-CB 4.18Å; M172-F184 HydrophobicContact CB-CD1 4.37Å; M172-F184 HydrophobicContact CB-CD2 3.86Å; M172-F184 HydrophobicContact CB-CE2 4.37Å; M172-F184 HydrophobicContact CB-CG 3.87Å; M172-F184 HydrophobicContact CE-CD1 3.97Å; M172-F184 HydrophobicContact CE-CE1 4.06Å; M172-F184 HydrophobicContact CG-CB 3.93Å; M172-F184 HydrophobicContact CG-CD1 3.72Å; M172-F184 HydrophobicContact CG-CD2 4.12Å; M172-F184 HydrophobicContact CG-CE1 4.25Å; M172-F184 HydrophobicContact CG-CG 3.65Å |
| 173 | R | 91.5 | Very high | 90 | Very high | 168 Ų | 168 | 84.1 Ų | 84.1 | 63% | 0.634 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.6 | 170.6 | -177.6 | 174.4 | 175.7 | 164.7 | 2.2 | 109.1 | K175 D176 K177 V178 | R173-K175 WeakPolarHBondContact CG-O 3.33Å; R173-K175 PolarHBondContact NE-O 2.92Å; R173-D176 IonicContact NH2-OD1 3.65Å; R173-D176 PolarHBondContact NH2-OD1 3.24Å; R173-K177 CarbonylContact C-O 3.57Å; R173-K177 WeakPolarHBondContact CA-O 3.37Å; R173-V178 HydrophobicContact CG-CG2 4.38Å |
| 174 | V | 90 | Very high | 90.1 | Very high | 4 Ų | 4 | 78.1 Ų | 78.1 | 2% | 0.024 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 112.3 | 177.9 | -171.5 | 0 | 0 | 0 | 0 | 107.7 | D176 K177 Y179 F184 Y199 L201 I206 | V174-D176 PolarHBondContact O-N 2.92Å; V174-D176 VanDerWaalsContact O-N 3.07Å; V174-K177 PolarHBondContact N-O 2.96Å; V174-K177 PolarHBondContact O-N 2.99Å; V174-Y179 HydrophobicContact CB-CE2 4.15Å; V174-Y179 HydrophobicContact CG2-CD2 4.24Å; V174-Y179 HydrophobicContact CG2-CE2 4.12Å; V174-F184 HydrophobicContact CG2-CD2 4.3Å; V174-F184 HydrophobicContact CG2-CE2 3.61Å; V174-F184 HydrophobicContact CG2-CZ 4.48Å; V174-Y199 HydrophobicContact CG1-CE2 3.58Å; V174-L201 HydrophobicContact CG1-CB 4.29Å; V174-L201 HydrophobicContact CG1-CD2 3.97Å; V174-I206 HydrophobicContact CG2-CD1 4.24Å |
| 175 | K | 88.5 | Confident | 90.3 | Very high | 152 Ų | 152 | 73.5 Ų | 73.5 | 66% | 0.661 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | -114.1 | -167.2 | -53.1 | -177.2 | -170.9 | 172.4 | 0 | 109.6 | R173 L201 | R173-K175 WeakPolarHBondContact CG-O 3.33Å; R173-K175 PolarHBondContact NE-O 2.92Å; K175-L201 HydrophobicContact CB-CD2 4.48Å; K175-L201 HydrophobicContact CD-CD2 4.08Å; K175-L201 HydrophobicContact CG-CD2 4.31Å |
| 176 | D | 89.6 | Confident | 90.4 | Very high | 135 Ų | 135 | 73.3 Ų | 73.3 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 0.3 | -178 | -56.9 | -64 | 0 | 0 | 0 | 114.3 | R173 V174 | R173-D176 IonicContact NH2-OD1 3.65Å; R173-D176 PolarHBondContact NH2-OD1 3.24Å; V174-D176 PolarHBondContact O-N 2.92Å; V174-D176 VanDerWaalsContact O-N 3.07Å |
| 177 | K | 90.4 | Very high | 90.6 | Very high | 64 Ų | 64 | 68.2 Ų | 68.2 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 143.8 | 179.5 | -68.8 | -170.7 | 167.9 | -172.2 | 0 | 112.1 | A159 R173 V174 Y179 N203 S204 | A159-K177 HydrophobicContact CB-CB 4Å; A159-K177 HydrophobicContact CB-CD 3.85Å; A159-K177 HydrophobicContact CB-CG 4.12Å; R173-K177 CarbonylContact C-O 3.57Å; R173-K177 WeakPolarHBondContact CA-O 3.37Å; V174-K177 PolarHBondContact N-O 2.96Å; V174-K177 PolarHBondContact O-N 2.99Å; K177-Y179 HydrophobicContact CB-CE2 3.54Å; K177-Y179 WeakPolarHBondContact CB-OH 3.46Å; K177-Y179 WeakPolarHBondContact CD-OH 3.36Å; K177-N203 WeakPolarHBondContact CD-O 3.34Å; K177-N203 VanDerWaalsContact CE-O 3.3Å; K177-N203 WeakPolarHBondContact CE-O 3.32Å; K177-N203 PolarHBondContact NZ-O 2.86Å; K177-S204 VanDerWaalsContact NZ-CA 3.33Å; K177-S204 PolarHBondContact NZ-OG 2.82Å |
| 178 | V | 92.8 | Very high | 90.9 | Very high | 41 Ų | 41 | 68.7 Ų | 68.7 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141 | -178.8 | -168.3 | 0 | 0 | 0 | 0 | 109.3 | C158 A159 I165 T171 M172 R173 | C158-V178 WeakPolarHBondContact CA-O 3.46Å; A159-V178 PolarHBondContact N-O 3.07Å; I165-V178 HydrophobicContact CD1-CB 4.07Å; I165-V178 HydrophobicContact CD1-CG1 3.56Å; T171-V178 HydrophobicContact CG2-CG1 3.82Å; M172-V178 WeakPolarHBondContact O-CA 3.34Å; R173-V178 HydrophobicContact CG-CG2 4.38Å |
| 179 | Y | 93 | Very high | 91.4 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145 | -175.5 | -55.7 | -93.7 | 0 | 0 | 0 | 110.1 | A159 T171 M172 V174 K177 L201 S204 I206 | A159-Y179 HydrophobicContact CB-CD1 4.44Å; A159-Y179 HydrophobicContact CB-CE1 3.79Å; T171-Y179 CarbonylContact C-O 3.56Å; T171-Y179 WeakPolarHBondContact CA-O 3.34Å; T171-Y179 WeakPolarHBondContact CB-O 3.35Å; M172-Y179 PolarHBondContact N-O 3.22Å; M172-Y179 PolarHBondContact O-N 3.47Å; V174-Y179 HydrophobicContact CB-CE2 4.15Å; V174-Y179 HydrophobicContact CG2-CD2 4.24Å; V174-Y179 HydrophobicContact CG2-CE2 4.12Å; K177-Y179 HydrophobicContact CB-CE2 3.54Å; K177-Y179 WeakPolarHBondContact CB-OH 3.46Å; K177-Y179 WeakPolarHBondContact CD-OH 3.36Å; Y179-L201 WeakPolarHBondContact OH-CD1 3.5Å; Y179-S204 WeakPolarHBondContact CE1-O 3.14Å; Y179-S204 PolarHBondContact OH-O 2.85Å; Y179-I206 HydrophobicContact CD1-CD1 4.28Å; Y179-I206 HydrophobicContact CD2-CD1 4.16Å; Y179-I206 HydrophobicContact CE1-CD1 4.05Å; Y179-I206 HydrophobicContact CE2-CD1 3.92Å; Y179-I206 HydrophobicContact CG-CD1 4.34Å |
| 180 | H | 94 | Very high | 91.7 | Very high | 21 Ų | 21 | 68.2 Ų | 68.2 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 153.6 | 162.3 | -54.2 | 106.9 | 0 | 0 | 0 | 109.7 | C158 C161 E169 E182 C183 F184 | C158-H180 WeakPolarHBondContact CB-CE1 3.42Å; C158-H180 VanDerWaalsContact CB-ND1 3.35Å; C158-H180 WeakPolarHBondContact CB-ND1 3.1Å; C158-H180 PolarHBondContact SG-ND1 2.99Å; C158-H180 VanDerWaalsContact SG-ND1 3.36Å; C161-H180 PolarHBondContact SG-ND1 2.98Å; E169-H180 IonicContact OE1-CD2 2.7Å; E169-H180 PolarHBondContact OE1-CD2 2.91Å; E169-H180 VanDerWaalsContact OE1-CD2 3.27Å; E169-H180 IonicContact OE2-CD2 3.9Å; H180-E182 VanDerWaalsContact C-N 3.26Å; H180-E182 PolarHBondContact O-N 2.79Å; H180-C183 HydrophobicContact CB-CB 4.16Å; H180-C183 CarbonylContact O-C 3.49Å; H180-C183 WeakPolarHBondContact O-CA 3.35Å; H180-C183 PolarHBondContact O-N 2.89Å; H180-F184 PolarHBondContact O-N 3.27Å; H180-F184 VanDerWaalsContact O-N 3.13Å |
| 181 | L | 91.8 | Very high | 92 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 42% | 0.419 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -56.7 | -39.5 | 175.1 | -72.7 | 164.7 | 0 | 0 | 0 | 112.4 | M170 M172 C183 F184 | M170-L181 HydrophobicContact CB-CD1 3.65Å; M172-L181 HydrophobicContact CE-CD2 4.08Å; M172-L181 HydrophobicContact CG-CD2 3.93Å; M172-L181 HydrophobicContact SD-CD2 4.34Å; L181-C183 VanDerWaalsContact C-N 3.28Å; L181-C183 PolarHBondContact O-N 3.36Å; L181-F184 PolarHBondContact O-N 2.88Å |
| 182 | E | 92.1 | Very high | 92 | Very high | 160 Ų | 160 | 69 Ų | 69 | 75% | 0.748 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -72 | -19.3 | 176.6 | -59 | 176.3 | -177.2 | 0 | 0 | 113.6 | H180 | H180-E182 VanDerWaalsContact C-N 3.26Å; H180-E182 PolarHBondContact O-N 2.79Å |
| 183 | C | 93.3 | Very high | 92 | Very high | 18 Ų | 18 | 66.8 Ų | 66.8 | 12% | 0.122 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -91.6 | -7.9 | 174.4 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | H180 L181 K185 | H180-C183 HydrophobicContact CB-CB 4.16Å; H180-C183 CarbonylContact O-C 3.49Å; H180-C183 WeakPolarHBondContact O-CA 3.35Å; H180-C183 PolarHBondContact O-N 2.89Å; L181-C183 VanDerWaalsContact C-N 3.28Å; L181-C183 PolarHBondContact O-N 3.36Å; C183-K185 VanDerWaalsContact C-N 3.31Å; C183-K185 PolarHBondContact O-N 2.82Å |
| 184 | F | 93.4 | Very high | 92 | Very high | 19 Ų | 19 | 63 Ų | 63 | 8% | 0.083 | 33% | 0.325 | C | S | . | . | trans | -84.7 | 74.8 | 179.5 | -170.4 | -114.4 | 0 | 0 | 0 | 111.1 | M172 V174 H180 L181 F193 Y199 I206 | M172-F184 HydrophobicContact CB-CB 4.18Å; M172-F184 HydrophobicContact CB-CD1 4.37Å; M172-F184 HydrophobicContact CB-CD2 3.86Å; M172-F184 HydrophobicContact CB-CE2 4.37Å; M172-F184 HydrophobicContact CB-CG 3.87Å; M172-F184 HydrophobicContact CE-CD1 3.97Å; M172-F184 HydrophobicContact CE-CE1 4.06Å; M172-F184 HydrophobicContact CG-CB 3.93Å; M172-F184 HydrophobicContact CG-CD1 3.72Å; M172-F184 HydrophobicContact CG-CD2 4.12Å; M172-F184 HydrophobicContact CG-CE1 4.25Å; M172-F184 HydrophobicContact CG-CG 3.65Å; V174-F184 HydrophobicContact CG2-CD2 4.3Å; V174-F184 HydrophobicContact CG2-CE2 3.61Å; V174-F184 HydrophobicContact CG2-CZ 4.48Å; H180-F184 PolarHBondContact O-N 3.27Å; H180-F184 VanDerWaalsContact O-N 3.13Å; L181-F184 PolarHBondContact O-N 2.88Å; F184-F193 HydrophobicContact CD1-CB 3.93Å; F184-F193 HydrophobicContact CD1-CD2 4.06Å; F184-F193 HydrophobicContact CD1-CG 4.45Å; F184-F193 HydrophobicContact CD2-CD2 4.45Å; F184-F193 HydrophobicContact CE1-CB 3.48Å; F184-F193 VanDerWaalsContact CE1-CB 3.48Å; F184-F193 AromaticContact CE1-CD2 3.91Å; F184-F193 HydrophobicContact CE1-CD2 3.91Å; F184-F193 HydrophobicContact CE1-CG 4.01Å; F184-F193 HydrophobicContact CE2-CD2 4.26Å; F184-F193 HydrophobicContact CG-CD2 4.34Å; F184-F193 HydrophobicContact CZ-CB 4.15Å; F184-F193 AromaticContact CZ-CD2 3.99Å; F184-F193 HydrophobicContact CZ-CD2 3.99Å; F184-F193 HydrophobicContact CZ-CG 4.26Å; F184-Y199 HydrophobicContact CZ-CE1 4.41Å; F184-I206 HydrophobicContact CD2-CD1 3.63Å; F184-I206 HydrophobicContact CE2-CD1 3.73Å | ||
| 185 | K | 94.3 | Very high | 92.1 | Very high | 67 Ų | 67 | 70.3 Ų | 70.3 | 29% | 0.291 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -143.7 | 159.1 | -176.2 | 52.7 | 173.1 | 173.5 | 160.7 | 0 | 111.3 | C183 A187 Q190 K191 | C183-K185 VanDerWaalsContact C-N 3.31Å; C183-K185 PolarHBondContact O-N 2.82Å; K185-A187 PolarHBondContact O-N 3.13Å; K185-Q190 VanDerWaalsContact CE-OE1 3.29Å; K185-K191 CarbonylContact C-O 3.51Å; K185-K191 WeakPolarHBondContact CA-O 3.49Å; K185-K191 WeakPolarHBondContact CB-O 3.48Å |
| 186 | C | 93.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 37% | 0.374 | C | S | . | . | trans | -62.3 | 131.2 | 179.7 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | A188 C189 Q190 K191 F193 I206 C208 D211 | C186-A188 VanDerWaalsContact C-N 3.28Å; C186-A188 PolarHBondContact O-N 3Å; C186-A188 PolarHBondContact SG-N 3.31Å; C186-C189 VanDerWaalsContact CB-SG 3.5Å; C186-Q190 WeakPolarHBondContact O-CA 3.44Å; C186-Q190 PolarHBondContact O-N 2.95Å; C186-Q190 PolarHBondContact O-NE2 3.23Å; C186-K191 PolarHBondContact N-O 3.24Å; C186-F193 HydrophobicContact CB-CZ 4.05Å; C186-I206 CarbonylContact C-O 3.53Å; C186-I206 VanDerWaalsContact CA-O 3.26Å; C186-I206 WeakPolarHBondContact CA-O 3.38Å; C186-C208 HydrophobicContact CB-CB 4.39Å; C186-C208 PolarHBondContact SG-N 3.45Å; C186-C208 VanDerWaalsContact SG-SG 3.7Å; C186-D211 PolarHBondContact SG-OD2 2.83Å | ||
| 187 | A | 91.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 20% | 0.198 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -35.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K185 Q190 D205 I206 W215 | K185-A187 PolarHBondContact O-N 3.13Å; A187-Q190 PolarHBondContact O-NE2 3.43Å; A187-D205 HydrophobicContact CB-CB 3.93Å; A187-I206 PolarHBondContact N-O 3.42Å; A187-W215 HydrophobicContact CB-CH2 3.65Å; A187-W215 HydrophobicContact CB-CZ2 3.92Å; A187-W215 HydrophobicContact CB-CZ3 4.17Å |
| 188 | A | 90.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 67.8 Ų | 67.8 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -79 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C186 Q190 D211 W215 | C186-A188 VanDerWaalsContact C-N 3.28Å; C186-A188 PolarHBondContact O-N 3Å; C186-A188 PolarHBondContact SG-N 3.31Å; A188-Q190 VanDerWaalsContact C-N 3.3Å; A188-Q190 PolarHBondContact O-N 3.12Å; A188-D211 HydrophobicContact CB-CB 3.75Å; A188-D211 WeakPolarHBondContact CB-OD2 3.21Å; A188-W215 HydrophobicContact CB-CE3 3.68Å; A188-W215 HydrophobicContact CB-CZ3 4.07Å |
| 189 | C | 92.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 70.7 Ų | 70.7 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -0.6 | -175.4 | 66.6 | 0 | 0 | 0 | 0 | 116.3 | C186 K191 D211 | C186-C189 VanDerWaalsContact CB-SG 3.5Å; C189-K191 PolarHBondContact O-N 3.32Å; C189-K191 WeakPolarHBondContact SG-CB 3.48Å; C189-D211 WeakPolarHBondContact CB-OD2 3.42Å; C189-D211 PolarHBondContact N-OD2 3.39Å; C189-D211 VanDerWaalsContact N-OD2 3.13Å; C189-D211 PolarHBondContact SG-OD2 2.95Å |
| 190 | Q | 92.6 | Very high | 92.2 | Very high | 98 Ų | 98 | 74 Ų | 74 | 46% | 0.458 | 40% | 0.395 | S | S | . | . | trans | 58.2 | 10.7 | -178.3 | -61.1 | -68 | -51.2 | 0 | 0 | 115.5 | K185 C186 A187 A188 | K185-Q190 VanDerWaalsContact CE-OE1 3.29Å; C186-Q190 WeakPolarHBondContact O-CA 3.44Å; C186-Q190 PolarHBondContact O-N 2.95Å; C186-Q190 PolarHBondContact O-NE2 3.23Å; A187-Q190 PolarHBondContact O-NE2 3.43Å; A188-Q190 VanDerWaalsContact C-N 3.3Å; A188-Q190 PolarHBondContact O-N 3.12Å | ||
| 191 | K | 92.9 | Very high | 92.1 | Very high | 114 Ų | 114 | 74.2 Ų | 74.2 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 135.1 | 177.1 | -171.9 | -162.1 | 168.7 | -158.4 | 0 | 111.3 | K185 C186 C189 D197 | K185-K191 CarbonylContact C-O 3.51Å; K185-K191 WeakPolarHBondContact CA-O 3.49Å; K185-K191 WeakPolarHBondContact CB-O 3.48Å; C186-K191 PolarHBondContact N-O 3.24Å; C189-K191 PolarHBondContact O-N 3.32Å; C189-K191 WeakPolarHBondContact SG-CB 3.48Å; K191-D197 IonicContact NZ-OD2 3.88Å |
| 192 | H | 92.8 | Very high | 92 | Very high | 106 Ų | 106 | 71.4 Ų | 71.4 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 142.7 | 170 | -64.4 | 90.7 | 0 | 0 | 0 | 111.5 | ||
| 193 | F | 91.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 69.5 Ų | 69.5 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 139.5 | 179.2 | -66.8 | -77 | 0 | 0 | 0 | 112.6 | F184 C186 D197 I206 C208 | F184-F193 HydrophobicContact CD1-CB 3.93Å; F184-F193 HydrophobicContact CD1-CD2 4.06Å; F184-F193 HydrophobicContact CD1-CG 4.45Å; F184-F193 HydrophobicContact CD2-CD2 4.45Å; F184-F193 HydrophobicContact CE1-CB 3.48Å; F184-F193 VanDerWaalsContact CE1-CB 3.48Å; F184-F193 AromaticContact CE1-CD2 3.91Å; F184-F193 HydrophobicContact CE1-CD2 3.91Å; F184-F193 HydrophobicContact CE1-CG 4.01Å; F184-F193 HydrophobicContact CE2-CD2 4.26Å; F184-F193 HydrophobicContact CG-CD2 4.34Å; F184-F193 HydrophobicContact CZ-CB 4.15Å; F184-F193 AromaticContact CZ-CD2 3.99Å; F184-F193 HydrophobicContact CZ-CD2 3.99Å; F184-F193 HydrophobicContact CZ-CG 4.26Å; C186-F193 HydrophobicContact CB-CZ 4.05Å; F193-D197 HydrophobicContact CD1-CB 4.05Å; F193-I206 HydrophobicContact CD2-CG2 4.34Å; F193-I206 HydrophobicContact CE2-CB 4.04Å; F193-I206 HydrophobicContact CE2-CG2 3.42Å; F193-I206 VanDerWaalsContact CE2-CG2 3.42Å; F193-I206 HydrophobicContact CZ-CB 4.37Å; F193-I206 HydrophobicContact CZ-CG2 3.55Å; F193-C208 HydrophobicContact CE1-CB 3.6Å; F193-C208 HydrophobicContact CZ-CB 4.19Å |
| 194 | C | 91.2 | Very high | 91.5 | Very high | 87 Ų | 87 | 70.4 Ų | 70.4 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 164.7 | 170.5 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | G196 D197 | C194-G196 PolarHBondContact O-N 2.97Å; C194-D197 PolarHBondContact N-OD2 2.85Å; C194-D197 WeakPolarHBondContact O-CB 3.28Å; C194-D197 PolarHBondContact O-N 3.35Å; C194-D197 VanDerWaalsContact O-N 3.12Å |
| 195 | V | 90.6 | Very high | 91.4 | Very high | 158 Ų | 158 | 72.7 Ų | 72.7 | 96% | 0.958 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 119.3 | 174.6 | -180 | 0 | 0 | 0 | 0 | 109.3 | ||
| 196 | G | 90.3 | Very high | 91.3 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 76% | 0.763 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.2 | -10.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | C194 | C194-G196 PolarHBondContact O-N 2.97Š|
| 197 | D | 90.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 69.7 Ų | 69.7 | 28% | 0.283 | 38% | 0.384 | S | S | . | . | trans | -64.8 | 138 | 175.6 | -74.2 | 2.4 | 0 | 0 | 0 | 111.1 | K191 F193 C194 | K191-D197 IonicContact NZ-OD2 3.88Å; F193-D197 HydrophobicContact CD1-CB 4.05Å; C194-D197 PolarHBondContact N-OD2 2.85Å; C194-D197 WeakPolarHBondContact O-CB 3.28Å; C194-D197 PolarHBondContact O-N 3.35Å; C194-D197 VanDerWaalsContact O-N 3.12Å | ||
| 198 | R | 92.4 | Very high | 91.4 | Very high | 171 Ų | 171 | 69 Ų | 69 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | trans | -87.8 | 139.1 | 174 | -74.9 | 176.6 | 170.9 | 169.7 | 0.3 | 111.2 | E209 | R198-E209 HydrophobicContact CB-CB 3.9Å; R198-E209 HydrophobicContact CB-CG 4.31Å; R198-E209 VanDerWaalsContact CD-CD 3.4Å; R198-E209 WeakPolarHBondContact CD-OE1 3.08Å; R198-E209 VanDerWaalsContact CD-OE2 3.28Å; R198-E209 WeakPolarHBondContact CD-OE2 3.39Å; R198-E209 IonicContact CZ-OE1 2.75Å; R198-E209 IonicContact NE-OE1 3.96Å; R198-E209 IonicContact NH1-OE1 2.72Å; R198-E209 PolarHBondContact NH1-OE1 3.47Å; R198-E209 PolarHBondContact O-N 3.38Å | ||
| 199 | Y | 92.8 | Very high | 91.4 | Very high | 102 Ų | 102 | 71.4 Ų | 71.4 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 158.6 | -179.5 | 63.2 | -95.2 | 0 | 0 | 0 | 111.6 | V174 F184 I206 V207 | V174-Y199 HydrophobicContact CG1-CE2 3.58Å; F184-Y199 HydrophobicContact CZ-CE1 4.41Å; Y199-I206 HydrophobicContact CD2-CG2 3.67Å; Y199-I206 HydrophobicContact CE2-CG2 4.49Å; Y199-I206 HydrophobicContact CG-CG2 3.84Å; Y199-V207 CarbonylContact C-O 3.49Å; Y199-V207 WeakPolarHBondContact CA-O 3.26Å; Y199-V207 WeakPolarHBondContact CB-O 3.32Å |
| 200 | L | 91.6 | Very high | 91.4 | Very high | 70 Ų | 70 | 75.2 Ų | 75.2 | 37% | 0.366 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.6 | 169.4 | -172.5 | 64.6 | 0 | 0 | 0 | 109 | I202 I206 V207 I212 | L200-I202 HydrophobicContact CD2-CD1 3.97Å; L200-I202 HydrophobicContact CD2-CG1 4Å; L200-I202 HydrophobicContact CG-CG1 4.07Å; L200-I206 WeakPolarHBondContact O-CA 3.5Å; L200-V207 PolarHBondContact N-O 2.85Å; L200-V207 PolarHBondContact O-N 3.04Å; L200-I212 HydrophobicContact CB-CD1 3.7Å; L200-I212 HydrophobicContact CB-CG1 3.93Å; L200-I212 HydrophobicContact CD2-CD1 4.42Å; L200-I212 HydrophobicContact CD2-CG1 4.41Å; L200-I212 HydrophobicContact CD2-CG2 3.88Å |
| 201 | L | 91.3 | Very high | 91.3 | Very high | 26 Ų | 26 | 72 Ų | 72 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.7 | 172.1 | 178.6 | 75.3 | 0 | 0 | 0 | 109 | V174 K175 Y179 D205 I206 | V174-L201 HydrophobicContact CG1-CB 4.29Å; V174-L201 HydrophobicContact CG1-CD2 3.97Å; K175-L201 HydrophobicContact CB-CD2 4.48Å; K175-L201 HydrophobicContact CD-CD2 4.08Å; K175-L201 HydrophobicContact CG-CD2 4.31Å; Y179-L201 WeakPolarHBondContact OH-CD1 3.5Å; L201-D205 WeakPolarHBondContact CA-O 3.42Å; L201-I206 HydrophobicContact CD1-CG1 3.61Å |
| 202 | I | 88.8 | Confident | 91.1 | Very high | 22 Ų | 22 | 68.8 Ų | 68.8 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 115 | 175.8 | -60.1 | 172.7 | 0 | 0 | 0 | 107 | L200 S204 D205 T216 M221 | L200-I202 HydrophobicContact CD2-CD1 3.97Å; L200-I202 HydrophobicContact CD2-CG1 4Å; L200-I202 HydrophobicContact CG-CG1 4.07Å; I202-S204 PolarHBondContact O-N 3.08Å; I202-D205 PolarHBondContact N-O 3.05Å; I202-D205 PolarHBondContact O-N 2.91Å; I202-T216 HydrophobicContact CD1-CG2 3.84Å; I202-M221 HydrophobicContact CD1-SD 4.37Å; I202-M221 HydrophobicContact CG2-CE 3.61Å; I202-M221 HydrophobicContact CG2-SD 3.5Å; I202-M221 WeakPolarHBondContact CG2-SD 3.1Å |
| 203 | N | 87.3 | Confident | 90.8 | Very high | 120 Ų | 120 | 71.3 Ų | 71.3 | 64% | 0.642 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | -102.7 | -173.9 | -61.7 | -38.4 | 0 | 0 | 0 | 112.9 | K177 | K177-N203 WeakPolarHBondContact CD-O 3.34Å; K177-N203 VanDerWaalsContact CE-O 3.3Å; K177-N203 WeakPolarHBondContact CE-O 3.32Å; K177-N203 PolarHBondContact NZ-O 2.86Å |
| 204 | S | 89.4 | Confident | 90.5 | Very high | 36 Ų | 36 | 76.5 Ų | 76.5 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -13.6 | 174.5 | -59.7 | 0 | 0 | 0 | 0 | 113.3 | A159 K177 Y179 I202 | A159-S204 WeakPolarHBondContact O-CB 3.42Å; K177-S204 VanDerWaalsContact NZ-CA 3.33Å; K177-S204 PolarHBondContact NZ-OG 2.82Å; Y179-S204 WeakPolarHBondContact CE1-O 3.14Å; Y179-S204 PolarHBondContact OH-O 2.85Å; I202-S204 PolarHBondContact O-N 3.08Å |
| 205 | D | 90.7 | Very high | 90.2 | Very high | 67 Ų | 67 | 74.9 Ų | 74.9 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128 | -164 | -57.6 | -58.9 | 0 | 0 | 0 | 109.6 | A187 L201 I202 W215 | A187-D205 HydrophobicContact CB-CB 3.93Å; L201-D205 WeakPolarHBondContact CA-O 3.42Å; I202-D205 PolarHBondContact N-O 3.05Å; I202-D205 PolarHBondContact O-N 2.91Å; D205-W215 HydrophobicContact CB-CZ2 4.24Å |
| 206 | I | 92.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.8 | -179.7 | -53.1 | 157.9 | 0 | 0 | 0 | 106.4 | V174 Y179 F184 C186 A187 F193 Y199 L200 L201 | V174-I206 HydrophobicContact CG2-CD1 4.24Å; Y179-I206 HydrophobicContact CD1-CD1 4.28Å; Y179-I206 HydrophobicContact CD2-CD1 4.16Å; Y179-I206 HydrophobicContact CE1-CD1 4.05Å; Y179-I206 HydrophobicContact CE2-CD1 3.92Å; Y179-I206 HydrophobicContact CG-CD1 4.34Å; F184-I206 HydrophobicContact CD2-CD1 3.63Å; F184-I206 HydrophobicContact CE2-CD1 3.73Å; C186-I206 CarbonylContact C-O 3.53Å; C186-I206 VanDerWaalsContact CA-O 3.26Å; C186-I206 WeakPolarHBondContact CA-O 3.38Å; A187-I206 PolarHBondContact N-O 3.42Å; F193-I206 HydrophobicContact CD2-CG2 4.34Å; F193-I206 HydrophobicContact CE2-CB 4.04Å; F193-I206 HydrophobicContact CE2-CG2 3.42Å; F193-I206 VanDerWaalsContact CE2-CG2 3.42Å; F193-I206 HydrophobicContact CZ-CB 4.37Å; F193-I206 HydrophobicContact CZ-CG2 3.55Å; Y199-I206 HydrophobicContact CD2-CG2 3.67Å; Y199-I206 HydrophobicContact CE2-CG2 4.49Å; Y199-I206 HydrophobicContact CG-CG2 3.84Å; L200-I206 WeakPolarHBondContact O-CA 3.5Å; L201-I206 HydrophobicContact CD1-CG1 3.61Å |
| 207 | V | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.1 | -175.8 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | Y199 L200 D211 I212 W215 | Y199-V207 CarbonylContact C-O 3.49Å; Y199-V207 WeakPolarHBondContact CA-O 3.26Å; Y199-V207 WeakPolarHBondContact CB-O 3.32Å; L200-V207 PolarHBondContact N-O 2.85Å; L200-V207 PolarHBondContact O-N 3.04Å; V207-D211 HydrophobicContact CG1-CB 3.7Å; V207-I212 HydrophobicContact CG1-CG1 4.33Å; V207-W215 HydrophobicContact CG1-CB 3.96Å; V207-W215 HydrophobicContact CG1-CG 4.17Å; V207-W215 HydrophobicContact CG2-CB 4.47Å; V207-W215 HydrophobicContact CG2-CD2 3.97Å; V207-W215 HydrophobicContact CG2-CG 3.8Å |
| 208 | C | 94 | Very high | 89.2 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 155 | 179.2 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | C186 F193 Q210 D211 I212 | C186-C208 HydrophobicContact CB-CB 4.39Å; C186-C208 PolarHBondContact SG-N 3.45Å; C186-C208 VanDerWaalsContact SG-SG 3.7Å; F193-C208 HydrophobicContact CE1-CB 3.6Å; F193-C208 HydrophobicContact CZ-CB 4.19Å; C208-Q210 PolarHBondContact O-N 3.25Å; C208-Q210 VanDerWaalsContact O-N 3.08Å; C208-D211 PolarHBondContact O-N 3Å; C208-D211 PolarHBondContact SG-OD2 3.49Å; C208-I212 WeakPolarHBondContact O-CG1 3.21Å; C208-I212 PolarHBondContact O-N 3.42Å |
| 209 | E | 91.8 | Very high | 88.7 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 43% | 0.425 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -37.8 | -176.4 | -169.1 | 173.8 | -144.5 | 0 | 0 | 114 | R198 | R198-E209 HydrophobicContact CB-CB 3.9Å; R198-E209 HydrophobicContact CB-CG 4.31Å; R198-E209 VanDerWaalsContact CD-CD 3.4Å; R198-E209 WeakPolarHBondContact CD-OE1 3.08Å; R198-E209 VanDerWaalsContact CD-OE2 3.28Å; R198-E209 WeakPolarHBondContact CD-OE2 3.39Å; R198-E209 IonicContact CZ-OE1 2.75Å; R198-E209 IonicContact NE-OE1 3.96Å; R198-E209 IonicContact NH1-OE1 2.72Å; R198-E209 PolarHBondContact NH1-OE1 3.47Å; R198-E209 PolarHBondContact O-N 3.38Å |
| 210 | Q | 90.9 | Very high | 87.5 | Confident | 145 Ų | 145 | 68.9 Ų | 68.9 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -41.1 | 175.9 | -75.5 | 72.4 | 28.8 | 0 | 0 | 113.5 | C208 | C208-Q210 PolarHBondContact O-N 3.25Å; C208-Q210 VanDerWaalsContact O-N 3.08Å |
| 211 | D | 90.8 | Very high | 86.2 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 17% | 0.171 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -9 | -172 | -61.1 | -15.9 | 0 | 0 | 0 | 112.9 | C186 A188 C189 V207 C208 Y213 E214 W215 | C186-D211 PolarHBondContact SG-OD2 2.83Å; A188-D211 HydrophobicContact CB-CB 3.75Å; A188-D211 WeakPolarHBondContact CB-OD2 3.21Å; C189-D211 WeakPolarHBondContact CB-OD2 3.42Å; C189-D211 PolarHBondContact N-OD2 3.39Å; C189-D211 VanDerWaalsContact N-OD2 3.13Å; C189-D211 PolarHBondContact SG-OD2 2.95Å; V207-D211 HydrophobicContact CG1-CB 3.7Å; C208-D211 PolarHBondContact O-N 3Å; C208-D211 PolarHBondContact SG-OD2 3.49Å; D211-Y213 VanDerWaalsContact C-N 3.33Å; D211-Y213 PolarHBondContact O-N 3.42Å; D211-E214 PolarHBondContact O-N 2.92Å; D211-W215 VanDerWaalsContact O-CB 3.23Å; D211-W215 WeakPolarHBondContact O-CB 3.45Å; D211-W215 PolarHBondContact O-N 2.92Å |
| 212 | I | 89.2 | Confident | 84.5 | Confident | 46 Ų | 46 | 76.9 Ų | 76.9 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -52.1 | -50.7 | -175.4 | -69.8 | 172.8 | 0 | 0 | 0 | 111.3 | L200 V207 C208 W215 T216 | L200-I212 HydrophobicContact CB-CD1 3.7Å; L200-I212 HydrophobicContact CB-CG1 3.93Å; L200-I212 HydrophobicContact CD2-CD1 4.42Å; L200-I212 HydrophobicContact CD2-CG1 4.41Å; L200-I212 HydrophobicContact CD2-CG2 3.88Å; V207-I212 HydrophobicContact CG1-CG1 4.33Å; C208-I212 WeakPolarHBondContact O-CG1 3.21Å; C208-I212 PolarHBondContact O-N 3.42Å; I212-W215 PolarHBondContact O-N 3.32Å; I212-T216 HydrophobicContact CG2-CG2 4.24Å; I212-T216 WeakPolarHBondContact O-CG2 3.23Å; I212-T216 PolarHBondContact O-N 2.93Å; I212-T216 PolarHBondContact O-OG1 3.41Å |
| 213 | Y | 86.2 | Confident | 84.3 | Confident | 159 Ų | 159 | 79.7 Ų | 79.7 | 62% | 0.624 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.4 | -41.9 | -171.2 | 179.7 | -104.2 | 0 | 0 | 0 | 113 | D211 T216 K217 | D211-Y213 VanDerWaalsContact C-N 3.33Å; D211-Y213 PolarHBondContact O-N 3.42Å; Y213-T216 PolarHBondContact O-OG1 3.42Å; Y213-K217 WeakPolarHBondContact O-CB 3.18Å; Y213-K217 PolarHBondContact O-N 3.29Å |
| 214 | E | 85.4 | Confident | 84.1 | Confident | 133 Ų | 133 | 77.5 Ų | 77.5 | 62% | 0.621 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.5 | -42.4 | 176.7 | -61.1 | -166 | 162.7 | 0 | 0 | 110.8 | D211 K217 I218 | D211-E214 PolarHBondContact O-N 2.92Å; E214-K217 PolarHBondContact O-N 3.38Å; E214-I218 WeakPolarHBondContact O-CB 3.33Å; E214-I218 WeakPolarHBondContact O-CD1 3.48Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.25Å; E214-I218 PolarHBondContact O-N 3.19Å |
| 215 | W | 84.4 | Confident | 83.8 | Confident | 53 Ų | 53 | 79.8 Ų | 79.8 | 20% | 0.201 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 179.9 | -175.6 | -89.4 | 0 | 0 | 0 | 113 | A187 A188 D205 V207 D211 I212 K217 I218 N219 | A187-W215 HydrophobicContact CB-CH2 3.65Å; A187-W215 HydrophobicContact CB-CZ2 3.92Å; A187-W215 HydrophobicContact CB-CZ3 4.17Å; A188-W215 HydrophobicContact CB-CE3 3.68Å; A188-W215 HydrophobicContact CB-CZ3 4.07Å; D205-W215 HydrophobicContact CB-CZ2 4.24Å; V207-W215 HydrophobicContact CG1-CB 3.96Å; V207-W215 HydrophobicContact CG1-CG 4.17Å; V207-W215 HydrophobicContact CG2-CB 4.47Å; V207-W215 HydrophobicContact CG2-CD2 3.97Å; V207-W215 HydrophobicContact CG2-CG 3.8Å; D211-W215 VanDerWaalsContact O-CB 3.23Å; D211-W215 WeakPolarHBondContact O-CB 3.45Å; D211-W215 PolarHBondContact O-N 2.92Å; I212-W215 PolarHBondContact O-N 3.32Å; W215-K217 VanDerWaalsContact C-N 3.33Å; W215-K217 PolarHBondContact O-N 2.97Å; W215-I218 PolarHBondContact O-N 3.13Å; W215-N219 VanDerWaalsContact CE2-ND2 3.33Å; W215-N219 PolarHBondContact NE1-ND2 3.01Å; W215-N219 WeakPolarHBondContact O-CB 3.37Å; W215-N219 PolarHBondContact O-N 3.19Å; W215-N219 PolarHBondContact O-ND2 3.24Å |
| 216 | T | 84.6 | Confident | 83.4 | Confident | 16 Ų | 16 | 80.6 Ų | 80.6 | 10% | 0.098 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.8 | -33.4 | -178.9 | 51.6 | 0 | 0 | 0 | 0 | 112 | I202 I212 Y213 G220 M221 I222 | I202-T216 HydrophobicContact CD1-CG2 3.84Å; I212-T216 HydrophobicContact CG2-CG2 4.24Å; I212-T216 WeakPolarHBondContact O-CG2 3.23Å; I212-T216 PolarHBondContact O-N 2.93Å; I212-T216 PolarHBondContact O-OG1 3.41Å; Y213-T216 PolarHBondContact O-OG1 3.42Å; T216-G220 PolarHBondContact O-N 3.49Å; T216-M221 PolarHBondContact O-N 2.95Å; T216-I222 WeakPolarHBondContact OG1-CD1 3.48Å |
| 217 | K | 84.8 | Confident | 82.9 | Confident | 138 Ų | 138 | 85.3 Ų | 85.3 | 60% | 0.6 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.7 | -42.5 | 173 | -174.8 | 178.9 | 179.7 | -178.1 | 0 | 112.8 | Y213 E214 W215 G220 | Y213-K217 WeakPolarHBondContact O-CB 3.18Å; Y213-K217 PolarHBondContact O-N 3.29Å; E214-K217 PolarHBondContact O-N 3.38Å; W215-K217 VanDerWaalsContact C-N 3.33Å; W215-K217 PolarHBondContact O-N 2.97Å; K217-G220 PolarHBondContact O-N 3.4Å |
| 218 | I | 82.7 | Confident | 82.2 | Confident | 136 Ų | 136 | 90.9 Ų | 90.9 | 70% | 0.697 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68 | -38.8 | 178.3 | -70 | 163.7 | 0 | 0 | 0 | 111.2 | E214 W215 G220 | E214-I218 WeakPolarHBondContact O-CB 3.33Å; E214-I218 WeakPolarHBondContact O-CD1 3.48Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.25Å; E214-I218 PolarHBondContact O-N 3.19Å; W215-I218 PolarHBondContact O-N 3.13Å; I218-G220 VanDerWaalsContact C-N 3.28Å; I218-G220 PolarHBondContact O-N 2.96Å |
| 219 | N | 80.4 | Confident | 81.3 | Confident | 78 Ų | 78 | 96.8 Ų | 96.8 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 9.3 | -179.5 | -68.9 | -81.8 | 0 | 0 | 0 | 113.9 | W215 M221 | W215-N219 VanDerWaalsContact CE2-ND2 3.33Å; W215-N219 PolarHBondContact NE1-ND2 3.01Å; W215-N219 WeakPolarHBondContact O-CB 3.37Å; W215-N219 PolarHBondContact O-N 3.19Å; W215-N219 PolarHBondContact O-ND2 3.24Å; N219-M221 VanDerWaalsContact C-N 3.32Å; N219-M221 HydrophobicContact CB-CG 4.49Å; N219-M221 PolarHBondContact O-N 3.28Å |
| 220 | G | 68.9 | Low | 80.5 | Confident | 64 Ų | 64 | 97.2 Ų | 97.2 | 66% | 0.66 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 32.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T216 K217 I218 | T216-G220 PolarHBondContact O-N 3.49Å; K217-G220 PolarHBondContact O-N 3.4Å; I218-G220 VanDerWaalsContact C-N 3.28Å; I218-G220 PolarHBondContact O-N 2.96Å |
| 221 | M | 64.1 | Low | 79.7 | Confident | 100 Ų | 100 | 93.3 Ų | 93.3 | 49% | 0.493 | 47% | 0.472 | S | S | . | . | trans | -95.9 | 2.2 | 179.6 | -61.5 | -168.9 | 177.9 | 0 | 0 | 113.6 | I202 T216 N219 | I202-M221 HydrophobicContact CD1-SD 4.37Å; I202-M221 HydrophobicContact CG2-CE 3.61Å; I202-M221 HydrophobicContact CG2-SD 3.5Å; I202-M221 WeakPolarHBondContact CG2-SD 3.1Å; T216-M221 PolarHBondContact O-N 2.95Å; N219-M221 VanDerWaalsContact C-N 3.32Å; N219-M221 HydrophobicContact CB-CG 4.49Å; N219-M221 PolarHBondContact O-N 3.28Å | ||
| 222 | I | 54.8 | Low | 78.7 | Confident | 164 Ų | 164 | 98.8 Ų | 98.8 | 84% | 0.841 | 50% | 0.499 | S | S | * | . | trans | -152.8 | 0 | 172.2 | 36.6 | 171.6 | 0 | 0 | 0 | 109.1 | T216 | T216-I222 WeakPolarHBondContact OG1-CD1 3.48Š|
Retrieved 222 of 222 residues in 38.7 ms
(Link to these results)