| 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 | N | 33.8 | Very low | 36 | Very low | 204 Ų | 204 | 161.5 Ų | 161.5 | 100% | 1.091 | 83% | 0.827 | S | S | * | * | 0 | 130.1 | 0 | -158.5 | 4.8 | 0 | 0 | 0 | 107.5 | |||||
| 2 | M | 34.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 161.1 Ų | 161.1 | 70% | 0.695 | 83% | 0.826 | S | S | * | * | trans | 63.5 | 134.1 | 165.9 | -96.5 | 164.1 | 25.4 | 0 | 0 | 122.8 | ||||
| 3 | F | 35.9 | Very low | 35.6 | Very low | 180 Ų | 180 | 163.4 Ų | 163.4 | 79% | 0.789 | 83% | 0.827 | S | S | * | * | trans | 66.9 | 105.9 | 152.1 | -58.6 | -53.4 | 0 | 0 | 0 | 122.3 | ||||
| 4 | L | 37.5 | Very low | 35.6 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -91.2 | 151 | 149.2 | -93.9 | 92.3 | 0 | 0 | 0 | 111.3 | ||||
| 5 | H | 37.5 | Very low | 36 | Very low | 191 Ų | 191 | 154.9 Ų | 154.9 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | trans | -61.3 | 146.8 | -179.5 | -69.2 | -69.6 | 0 | 0 | 0 | 114.9 | ||||
| 6 | K | 36.7 | Very low | 36.7 | Very low | 197 Ų | 197 | 152.8 Ų | 152.8 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -110.1 | 133.8 | 153.6 | -77.4 | -176.4 | 174.7 | -179.4 | 0 | 109.2 | ||||
| 7 | P | 37.7 | Very low | 37.6 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -78.7 | 150.4 | 174.6 | 31.7 | -33.7 | 0 | 0 | 0 | 112 | ||||
| 8 | I | 36.8 | Very low | 38.2 | Very low | 152 Ų | 152 | 151 Ų | 151 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 132.4 | 176.2 | -64 | 157.5 | 0 | 0 | 0 | 109.3 | L10 | I8-L10 HydrophobicContact CG2-CD1 3.79Š| ||
| 9 | K | 36.8 | Very low | 39 | Very low | 204 Ų | 204 | 152.3 Ų | 152.3 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -114.7 | 110 | 160.5 | -86.3 | -170.6 | 172.4 | -175.1 | 0 | 109.1 | G11 | K9-G11 PolarHBondContact O-N 3.28Š| ||
| 10 | L | 37 | Very low | 40 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -68.7 | 111.7 | 158.5 | -94.2 | 74 | 0 | 0 | 0 | 107.7 | I8 | I8-L10 HydrophobicContact CG2-CD1 3.79Š| ||
| 11 | G | 31.7 | Very low | 40.6 | Very low | 59 Ų | 59 | 148 Ų | 148 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | -99.8 | 98.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | K9 F13 | K9-G11 PolarHBondContact O-N 3.28Å; G11-F13 VanDerWaalsContact C-N 3.34Å; G11-F13 PolarHBondContact O-N 2.9Å | ||
| 12 | L | 32.8 | Very low | 41.9 | Very low | 156 Ų | 156 | 143 Ų | 143 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | trans | -69.4 | 94.5 | 165.7 | -119.1 | 76.6 | 0 | 0 | 0 | 107.8 | A14 | L12-A14 PolarHBondContact O-N 3.02Š| ||
| 13 | F | 33.9 | Very low | 43.3 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -86 | 90.6 | 159.3 | -81.4 | -82.2 | 0 | 0 | 0 | 107.6 | G11 T15 | G11-F13 VanDerWaalsContact C-N 3.34Å; G11-F13 PolarHBondContact O-N 2.9Å; F13-T15 VanDerWaalsContact C-N 3.32Å; F13-T15 PolarHBondContact O-N 3.04Å | ||
| 14 | A | 36 | Very low | 44.1 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | trans | -69.7 | 94.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | L12 T16 | L12-A14 PolarHBondContact O-N 3.02Å; A14-T16 VanDerWaalsContact C-N 3.34Å; A14-T16 PolarHBondContact O-N 3.35Å | ||
| 15 | T | 41.6 | Very low | 44.7 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | -66.4 | 98.5 | 162.3 | 43.6 | 0 | 0 | 0 | 0 | 107.5 | F13 E17 | F13-T15 VanDerWaalsContact C-N 3.32Å; F13-T15 PolarHBondContact O-N 3.04Å; T15-E17 PolarHBondContact O-N 3.01Å | ||
| 16 | T | 46.4 | Very low | 45.4 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -68 | 85.7 | 161.9 | 49.5 | 0 | 0 | 0 | 0 | 107.5 | A14 N18 | A14-T16 VanDerWaalsContact C-N 3.34Å; A14-T16 PolarHBondContact O-N 3.35Å; T16-N18 PolarHBondContact O-N 3.04Å; T16-N18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | E | 52.4 | Low | 46.1 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -56.3 | 117.9 | 166.1 | -70.7 | 179.8 | 163.8 | 0 | 0 | 107.4 | T15 L19 | T15-E17 PolarHBondContact O-N 3.01Å; E17-L19 PolarHBondContact O-N 3.3Å | ||
| 18 | N | 47.9 | Very low | 46.9 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 60% | 0.599 | 74% | 0.743 | S | S | * | * | trans | -69.3 | 104.7 | 176.8 | -83.5 | -41.5 | 0 | 0 | 0 | 107.8 | T16 A20 E21 | T16-N18 PolarHBondContact O-N 3.04Å; T16-N18 VanDerWaalsContact O-N 3.16Å; N18-A20 PolarHBondContact O-N 3.31Å; N18-E21 HydrophobicContact CB-CB 4.29Å; N18-E21 VanDerWaalsContact O-CB 3.3Å; N18-E21 WeakPolarHBondContact O-CB 3.49Å; N18-E21 PolarHBondContact O-N 3.46Å | ||
| 19 | L | 53.5 | Low | 47.8 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 1 | 176.2 | -72.2 | 162.1 | 0 | 0 | 0 | 114.4 | E17 | E17-L19 PolarHBondContact O-N 3.3Š|
| 20 | A | 59.2 | Low | 48.9 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -5.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | N18 T22 | N18-A20 PolarHBondContact O-N 3.31Å; A20-T22 PolarHBondContact O-N 3.3Å |
| 21 | E | 54 | Low | 50.2 | Low | 120 Ų | 120 | 130.1 Ų | 130.1 | 56% | 0.561 | 73% | 0.73 | S | S | * | * | trans | -84.6 | 100.6 | -178.5 | -159.2 | 160.8 | -140 | 0 | 0 | 109.5 | N18 D23 G24 | N18-E21 HydrophobicContact CB-CB 4.29Å; N18-E21 VanDerWaalsContact O-CB 3.3Å; N18-E21 WeakPolarHBondContact O-CB 3.49Å; N18-E21 PolarHBondContact O-N 3.46Å; E21-D23 PolarHBondContact O-N 2.84Å; E21-G24 PolarHBondContact O-N 3.01Å | ||
| 22 | T | 61.1 | Low | 52.5 | Low | 101 Ų | 101 | 133.8 Ų | 133.8 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -62.4 | -14.9 | -174.3 | 46.4 | 0 | 0 | 0 | 0 | 114.6 | A20 G24 F25 | A20-T22 PolarHBondContact O-N 3.3Å; T22-G24 PolarHBondContact O-N 2.86Å; T22-F25 PolarHBondContact O-N 3.31Å |
| 23 | D | 62.4 | Low | 54.7 | Low | 134 Ų | 134 | 133.2 Ų | 133.2 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -68.7 | -20.9 | -178.1 | -60.9 | -0.5 | 0 | 0 | 0 | 112 | E21 | E21-D23 PolarHBondContact O-N 2.84Š|
| 24 | G | 53.9 | Low | 57.4 | Low | 64 Ų | 64 | 128.6 Ų | 128.6 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -85.2 | -11.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | E21 T22 | E21-G24 PolarHBondContact O-N 3.01Å; T22-G24 PolarHBondContact O-N 2.86Å |
| 25 | F | 49.4 | Very low | 59.9 | Low | 178 Ų | 178 | 130 Ų | 130 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -129.7 | 74.3 | -168.2 | -95.9 | -86.7 | 0 | 0 | 0 | 114.6 | T22 | T22-F25 PolarHBondContact O-N 3.31Š| ||
| 26 | Y | 51.3 | Low | 62.3 | Low | 180 Ų | 180 | 127.1 Ų | 127.1 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | trans | -112.4 | 90.7 | 165.1 | -77.8 | -87.6 | 0 | 0 | 0 | 111.8 | ||||
| 27 | R | 51.7 | Low | 64.7 | Low | 250 Ų | 250 | 125.5 Ų | 125.5 | 94% | 0.943 | 70% | 0.695 | S | S | * | * | trans | -125.1 | 28.4 | 169.6 | -121.1 | -173.1 | -169 | -158.6 | 4.8 | 114.1 | ||||
| 28 | S | 55.9 | Low | 66.8 | Low | 100 Ų | 100 | 121.3 Ų | 121.3 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -116 | 140.1 | 164.6 | -57.8 | 0 | 0 | 0 | 0 | 107.4 | P30 | S28-P30 WeakPolarHBondContact O-CD 3.3Å; S28-P30 VanDerWaalsContact O-N 3.12Å |
| 29 | S | 53.9 | Low | 69.1 | Low | 116 Ų | 116 | 116.5 Ų | 116.5 | 81% | 0.811 | 65% | 0.649 | S | S | * | * | trans | -52.9 | 120.5 | 174.9 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | V31 | S29-V31 PolarHBondContact O-N 3.16Š| ||
| 30 | P | 59.9 | Low | 71.1 | Confident | 97 Ų | 97 | 112.3 Ų | 112.3 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | trans | -63 | 131 | -176.2 | 24.4 | -32.8 | 0 | 0 | 0 | 109.2 | S28 V32 | S28-P30 WeakPolarHBondContact O-CD 3.3Å; S28-P30 VanDerWaalsContact O-N 3.12Å; P30-V32 PolarHBondContact O-N 2.97Å | ||
| 31 | V | 65.3 | Low | 72.9 | Confident | 124 Ų | 124 | 109 Ų | 109 | 75% | 0.752 | 60% | 0.6 | S | S | * | * | trans | -62.6 | 110.2 | 165.3 | 176.8 | 0 | 0 | 0 | 0 | 106 | S29 L33 | S29-V31 PolarHBondContact O-N 3.16Å; V31-L33 HydrophobicContact CG1-CD2 4.12Å; V31-L33 PolarHBondContact O-N 3.06Å | ||
| 32 | V | 78.9 | Confident | 74.9 | Confident | 136 Ų | 136 | 109.1 Ų | 109.1 | 82% | 0.824 | 61% | 0.609 | S | S | * | * | trans | -71.8 | 97.8 | 178.3 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | P30 | P30-V32 PolarHBondContact O-N 2.97Š| ||
| 33 | L | 79.8 | Confident | 76.5 | Confident | 144 Ų | 144 | 109.2 Ų | 109.2 | 75% | 0.754 | 60% | 0.598 | S | S | * | * | trans | -77.4 | 125.3 | 174 | -64.5 | 172.3 | 0 | 0 | 0 | 109 | V31 P35 | V31-L33 HydrophobicContact CG1-CD2 4.12Å; V31-L33 PolarHBondContact O-N 3.06Å; L33-P35 WeakPolarHBondContact O-CD 3.44Å | ||
| 34 | D | 90.1 | Very high | 78.1 | Confident | 94 Ų | 94 | 111.3 Ų | 111.3 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | trans | -86.7 | 114.1 | 169.7 | 179 | 4.5 | 0 | 0 | 0 | 109.6 | A36 E37 | D34-A36 PolarHBondContact O-N 2.92Å; D34-A36 VanDerWaalsContact O-N 3.1Å; D34-A36 WeakPolarHBondContact OD1-CB 3.31Å; D34-A36 PolarHBondContact OD1-N 3.4Å; D34-E37 HydrophobicContact CB-CB 4.29Å; D34-E37 WeakPolarHBondContact O-CB 3.31Å; D34-E37 PolarHBondContact O-N 2.86Å; D34-E37 VanDerWaalsContact O-N 3.1Å | ||
| 35 | P | 89.7 | Confident | 80.1 | Confident | 114 Ų | 114 | 111.7 Ų | 111.7 | 74% | 0.74 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -10.3 | 177.9 | -19 | 33.2 | 0 | 0 | 0 | 114.2 | L33 K282 | L33-P35 WeakPolarHBondContact O-CD 3.44Å; P35-K282 WeakPolarHBondContact O-CE 3.38Å; P35-K282 PolarHBondContact O-NZ 3.3Å |
| 36 | A | 92.3 | Very high | 82.4 | Confident | 54 Ų | 54 | 103.2 Ų | 103.2 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 4.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D34 E38 | D34-A36 PolarHBondContact O-N 2.92Å; D34-A36 VanDerWaalsContact O-N 3.1Å; D34-A36 WeakPolarHBondContact OD1-CB 3.31Å; D34-A36 PolarHBondContact OD1-N 3.4Å; A36-E38 WeakPolarHBondContact O-CG 3.38Å; A36-E38 PolarHBondContact O-N 3.03Å |
| 37 | E | 94.9 | Very high | 84.7 | Confident | 88 Ų | 88 | 94.7 Ų | 94.7 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | trans | -60.5 | 130.8 | -174.5 | -153.8 | -173.4 | -176.6 | 0 | 0 | 112.8 | D34 K281 K282 | D34-E37 HydrophobicContact CB-CB 4.29Å; D34-E37 WeakPolarHBondContact O-CB 3.31Å; D34-E37 PolarHBondContact O-N 2.86Å; D34-E37 VanDerWaalsContact O-N 3.1Å; E37-K281 VanDerWaalsContact CD-CE 3.41Å; E37-K281 VanDerWaalsContact CD-NZ 3.31Å; E37-K281 HydrophobicContact CG-CD 3.97Å; E37-K281 HydrophobicContact CG-CG 4.34Å; E37-K281 VanDerWaalsContact OE1-CE 3.27Å; E37-K281 WeakPolarHBondContact OE1-CE 3.49Å; E37-K281 IonicContact OE1-NZ 2.63Å; E37-K281 PolarHBondContact OE1-NZ 2.75Å; E37-K281 WeakPolarHBondContact OE2-CE 3.35Å; E37-K281 IonicContact OE2-NZ 3.66Å; E37-K282 PolarHBondContact O-N 3.41Å | ||
| 38 | E | 97.1 | Very high | 86.9 | Confident | 73 Ų | 73 | 82.8 Ų | 82.8 | 34% | 0.341 | 47% | 0.467 | S | S | . | . | B | Isolated β-bridge | trans | -117.8 | 154.9 | -176.9 | -50.6 | -169.5 | 157.4 | 0 | 0 | 112 | A36 K282 Y284 R286 | A36-E38 WeakPolarHBondContact O-CG 3.38Å; A36-E38 PolarHBondContact O-N 3.03Å; E38-K282 WeakPolarHBondContact CA-O 3.45Å; E38-K282 HydrophobicContact CG-CB 4.36Å; E38-Y284 HydrophobicContact CG-CD2 4.27Å; E38-Y284 HydrophobicContact CG-CE2 4.12Å; E38-Y284 WeakPolarHBondContact OE1-CD2 3.22Å; E38-Y284 WeakPolarHBondContact OE1-CE2 3.13Å; E38-R286 IonicContact OE1-CZ 3.48Å; E38-R286 IonicContact OE1-NH1 3.42Å; E38-R286 PolarHBondContact OE1-NH1 2.89Å; E38-R286 IonicContact OE1-NH2 3.74Å; E38-R286 PolarHBondContact OE1-NH2 3.18Å; E38-R286 IonicContact OE2-CZ 2.84Å; E38-R286 IonicContact OE2-NH1 2.9Å; E38-R286 PolarHBondContact OE2-NH1 3.4Å; E38-R286 IonicContact OE2-NH2 2.78Å; E38-R286 PolarHBondContact OE2-NH2 3.4Å |
| 39 | Y | 97.3 | Very high | 88.9 | Confident | 11 Ų | 11 | 78 Ų | 78 | 4% | 0.043 | 43% | 0.434 | C | S | . | . | trans | -66.7 | 143.2 | 166.6 | -75.7 | -74.2 | 0 | 0 | 0 | 111.8 | M41 P157 D202 L279 T280 K281 K282 L283 | Y39-M41 WeakPolarHBondContact O-CG 3.39Å; Y39-M41 PolarHBondContact O-N 3.44Å; Y39-P157 HydrophobicContact CD1-CG 4.01Å; Y39-P157 HydrophobicContact CD2-CG 3.75Å; Y39-P157 HydrophobicContact CE1-CG 4.35Å; Y39-P157 HydrophobicContact CE2-CG 4.1Å; Y39-P157 HydrophobicContact CG-CG 3.7Å; Y39-D202 HydrophobicContact CE1-CB 4.22Å; Y39-D202 WeakPolarHBondContact CE1-OD1 3.28Å; Y39-D202 WeakPolarHBondContact OH-CB 3.06Å; Y39-D202 PolarHBondContact OH-OD1 3.18Å; Y39-L279 HydrophobicContact CE2-CB 4.11Å; Y39-L279 HydrophobicContact CE2-CD2 4.01Å; Y39-L279 HydrophobicContact CE2-CG 4.46Å; Y39-T280 PolarHBondContact OH-N 2.78Å; Y39-T280 PolarHBondContact OH-OG1 3.29Å; Y39-K281 HydrophobicContact CD1-CB 4.39Å; Y39-K281 HydrophobicContact CD1-CD 4.37Å; Y39-K281 HydrophobicContact CD2-CB 3.78Å; Y39-K281 HydrophobicContact CE1-CB 4.38Å; Y39-K281 HydrophobicContact CE1-CD 4.5Å; Y39-K281 HydrophobicContact CE2-CB 3.78Å; Y39-K281 WeakPolarHBondContact CE2-O 3.4Å; Y39-K281 HydrophobicContact CG-CB 4.1Å; Y39-K282 PolarHBondContact N-O 2.97Å; Y39-L283 HydrophobicContact CD2-CB 4.28Å | ||
| 40 | T | 95.9 | Very high | 91 | Very high | 87 Ų | 87 | 72.5 Ų | 72.5 | 53% | 0.534 | 40% | 0.395 | S | S | . | . | trans | -75.3 | 92 | 177 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | T42 | T40-T42 WeakPolarHBondContact CG2-OG1 3.27Å; T40-T42 PolarHBondContact O-N 3.09Å | ||
| 41 | M | 96.5 | Very high | 92.9 | Very high | 24 Ų | 24 | 67.9 Ų | 67.9 | 12% | 0.118 | 37% | 0.365 | C | S | . | . | trans | -96.2 | 29.7 | -176.7 | -57.9 | -63.1 | -70.1 | 0 | 0 | 113.9 | Y39 R46 D114 C115 P157 L283 Y284 F285 | Y39-M41 WeakPolarHBondContact O-CG 3.39Å; Y39-M41 PolarHBondContact O-N 3.44Å; M41-R46 PolarHBondContact O-NH1 3.33Å; M41-D114 VanDerWaalsContact C-CG 3.44Å; M41-D114 WeakPolarHBondContact CA-OD1 3.28Å; M41-D114 HydrophobicContact CE-CB 3.79Å; M41-D114 HydrophobicContact SD-CB 3.76Å; M41-C115 HydrophobicContact CE-CB 4.42Å; M41-P157 HydrophobicContact SD-CG 4.36Å; M41-L283 HydrophobicContact CE-CD1 3.76Å; M41-L283 HydrophobicContact CG-CD1 4.34Å; M41-L283 HydrophobicContact SD-CD1 3.7Å; M41-Y284 WeakPolarHBondContact CG-O 3.11Å; M41-F285 HydrophobicContact CE-CD1 3.63Å; M41-F285 HydrophobicContact CE-CE1 3.53Å | ||
| 42 | T | 95.1 | Very high | 94.5 | Very high | 122 Ų | 122 | 62 Ų | 62 | 75% | 0.748 | 33% | 0.329 | S | S | * | . | trans | -116.6 | 13.5 | -172 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | T40 D114 | T40-T42 WeakPolarHBondContact CG2-OG1 3.27Å; T40-T42 PolarHBondContact O-N 3.09Å; T42-D114 PolarHBondContact N-OD1 2.76Å; T42-D114 VanDerWaalsContact N-OD1 3.16Å | ||
| 43 | R | 95.1 | Very high | 95.4 | Very high | 103 Ų | 103 | 55.5 Ų | 55.5 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -73.9 | 175.5 | 176.4 | -56.8 | 174.3 | 179.5 | -105.9 | -3.1 | 110.5 | R45 S111 D112 A113 D114 K156 K288 | R43-R45 PolarHBondContact O-N 3.12Å; R43-S111 PolarHBondContact NH1-O 2.69Å; R43-D112 VanDerWaalsContact CB-O 3.24Å; R43-D112 WeakPolarHBondContact CB-O 3.35Å; R43-A113 WeakPolarHBondContact CD-O 3.19Å; R43-D114 WeakPolarHBondContact CA-OD1 3.43Å; R43-D114 VanDerWaalsContact CB-OD1 3.28Å; R43-D114 WeakPolarHBondContact CB-OD1 3.23Å; R43-D114 PolarHBondContact N-OD1 3.32Å; R43-K156 VanDerWaalsContact CZ-CE 3.42Å; R43-K288 WeakPolarHBondContact O-CE 3.47Å; R43-K288 PolarHBondContact O-NZ 2.63Å |
| 44 | K | 95.7 | Very high | 96.2 | Very high | 178 Ų | 178 | 48.7 Ų | 48.7 | 77% | 0.774 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -60.2 | -46 | -173.5 | -173.8 | -177.5 | 174 | -169 | 0 | 112.9 | D112 K288 | K44-D112 HydrophobicContact CB-CB 4.1Å; K44-D112 PolarHBondContact N-O 3.02Å; K44-D112 VanDerWaalsContact N-O 3.1Å; K44-K288 WeakPolarHBondContact O-CE 3.42Å |
| 45 | R | 96.9 | Very high | 96.5 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 27% | 0.272 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -109.1 | 153.9 | 179.6 | -63.1 | -173.8 | -64.9 | 134.6 | -2.9 | 110.4 | R43 D109 D112 A113 D114 | R43-R45 PolarHBondContact O-N 3.12Å; R45-D109 PolarHBondContact NH2-O 3.06Å; R45-D112 IonicContact CZ-OD1 3.12Å; R45-D112 VanDerWaalsContact CZ-OD1 3.22Å; R45-D112 PolarHBondContact N-O 2.75Å; R45-D112 VanDerWaalsContact NE-CG 3.33Å; R45-D112 IonicContact NE-OD1 2.76Å; R45-D112 PolarHBondContact NE-OD1 3.27Å; R45-D112 IonicContact NE-OD2 3.29Å; R45-D112 PolarHBondContact NE-OD2 2.69Å; R45-D112 IonicContact NH2-OD1 2.91Å; R45-D112 PolarHBondContact NH2-OD1 3.27Å; R45-A113 HydrophobicContact CB-CB 4.43Å; R45-A113 WeakPolarHBondContact O-CA 3.45Å; R45-D114 PolarHBondContact O-N 2.91Å |
| 46 | R | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | trans | -66.6 | -52.4 | 166.7 | -177.7 | 63.8 | 71.9 | -151 | 13.8 | 110.3 | M41 L83 N84 F85 D114 C115 R286 K288 | M41-R46 PolarHBondContact O-NH1 3.33Å; R46-L83 PolarHBondContact NE-O 2.97Å; R46-N84 HydrophobicContact CB-CB 4.36Å; R46-N84 WeakPolarHBondContact CB-O 3.28Å; R46-F85 HydrophobicContact CB-CG 4.42Å; R46-F85 HydrophobicContact CG-CD1 3.79Å; R46-F85 HydrophobicContact CG-CD2 3.7Å; R46-F85 HydrophobicContact CG-CE1 3.75Å; R46-F85 HydrophobicContact CG-CE2 3.65Å; R46-F85 HydrophobicContact CG-CG 3.78Å; R46-F85 HydrophobicContact CG-CZ 3.68Å; R46-D114 WeakPolarHBondContact CA-OD2 3.48Å; R46-D114 IonicContact CZ-OD2 3.54Å; R46-D114 IonicContact NE-OD2 2.69Å; R46-D114 IonicContact NH1-OD2 2.61Å; R46-D114 PolarHBondContact NH1-OD2 3.13Å; R46-D114 WeakPolarHBondContact O-CA 3.17Å; R46-D114 VanDerWaalsContact O-CB 3.28Å; R46-D114 WeakPolarHBondContact O-CB 3.3Å; R46-D114 PolarHBondContact O-N 2.88Å; R46-C115 PolarHBondContact O-N 2.94Å; R46-C115 PolarHBondContact O-SG 3.27Å; R46-R286 PolarHBondContact NH2-O 3.34Å; R46-K288 HydrophobicContact CB-CD 4.3Å | ||
| 47 | G | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | trans | 149.5 | 168.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D86 C115 | G47-D86 PolarHBondContact O-N 2.98Å; G47-C115 WeakPolarHBondContact CA-O 3.15Å | ||
| 48 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 139 | 169.2 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | L50 D86 F116 L117 | V48-L50 HydrophobicContact CG1-CD2 3.51Å; V48-L50 HydrophobicContact CG1-CG 4.17Å; V48-D86 WeakPolarHBondContact CA-O 3.35Å; V48-F116 HydrophobicContact CB-CD2 4.48Å; V48-L117 PolarHBondContact O-N 3.31Å |
| 49 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 106.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.2 | L80 F85 D86 V87 R88 L117 | A49-L80 HydrophobicContact CB-CD1 3.94Å; A49-F85 HydrophobicContact CB-CB 3.79Å; A49-F85 HydrophobicContact CB-CD1 3.83Å; A49-F85 HydrophobicContact CB-CG 4.02Å; A49-D86 PolarHBondContact N-O 3.48Å; A49-V87 HydrophobicContact CB-CG2 4.14Å; A49-V87 WeakPolarHBondContact O-CA 3.42Å; A49-R88 PolarHBondContact O-N 3.18Å; A49-L117 CarbonylContact C-O 3.05Å; A49-L117 VanDerWaalsContact CA-O 3.32Å; A49-L117 WeakPolarHBondContact CA-O 3.25Å; A49-L117 HydrophobicContact CB-CB 4.18Å; A49-L117 HydrophobicContact CB-CD2 4.08Å |
| 50 | L | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 137.6 | 174.7 | -56.4 | -170.8 | 0 | 0 | 0 | 110.3 | V48 F52 R88 Y90 A105 F116 L117 L118 A119 | V48-L50 HydrophobicContact CG1-CD2 3.51Å; V48-L50 HydrophobicContact CG1-CG 4.17Å; L50-F52 HydrophobicContact CB-CE2 4.33Å; L50-F52 HydrophobicContact CD1-CE2 4.31Å; L50-R88 CarbonylContact C-O 3.37Å; L50-R88 WeakPolarHBondContact CA-O 3.47Å; L50-R88 HydrophobicContact CD2-CB 3.95Å; L50-R88 HydrophobicContact CD2-CG 4.38Å; L50-Y90 HydrophobicContact CD2-CE2 4.16Å; L50-A105 HydrophobicContact CD1-CB 3.7Å; L50-A105 HydrophobicContact CG-CB 4.44Å; L50-F116 HydrophobicContact CD1-CE2 4.49Å; L50-F116 HydrophobicContact CD1-CZ 4.36Å; L50-F116 HydrophobicContact CG-CE2 4.29Å; L50-F116 HydrophobicContact CG-CZ 4.43Å; L50-L117 PolarHBondContact N-O 3.46Å; L50-L118 HydrophobicContact CB-CD1 3.65Å; L50-L118 HydrophobicContact CD1-CD1 4.32Å; L50-L118 CarbonylContact O-C 3.32Å; L50-A119 PolarHBondContact O-N 3.1Å |
| 51 | I | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 108.8 | 175.3 | -53.9 | 173.8 | 0 | 0 | 0 | 109.2 | R73 L76 E77 L80 V87 R88 S89 Y90 A119 L121 | I51-R73 HydrophobicContact CG2-CG 4.48Å; I51-L76 HydrophobicContact CD1-CB 4.4Å; I51-L76 HydrophobicContact CD1-CD2 4.18Å; I51-L76 HydrophobicContact CD1-CG 4.14Å; I51-L76 HydrophobicContact CG1-CD2 4.39Å; I51-E77 HydrophobicContact CD1-CB 4.49Å; I51-E77 HydrophobicContact CD1-CG 3.68Å; I51-L80 HydrophobicContact CD1-CD1 4.32Å; I51-V87 HydrophobicContact CD1-CG1 3.66Å; I51-V87 HydrophobicContact CG1-CG1 4.3Å; I51-R88 PolarHBondContact N-O 3.24Å; I51-S89 CarbonylContact O-C 3.51Å; I51-S89 VanDerWaalsContact O-CA 3.28Å; I51-S89 WeakPolarHBondContact O-CA 3.28Å; I51-Y90 PolarHBondContact O-N 3.49Å; I51-A119 HydrophobicContact CB-CB 4.5Å; I51-A119 HydrophobicContact CG1-CB 4.19Å; I51-A119 HydrophobicContact CG2-CB 4.36Å; I51-L121 HydrophobicContact CG2-CD1 4.07Å; I51-L121 HydrophobicContact CG2-CG 4.38Å |
| 52 | F | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114 | 169.9 | -65.7 | -76.1 | 0 | 0 | 0 | 109.5 | L50 Y90 V98 K101 I102 L118 A119 F120 L121 | L50-F52 HydrophobicContact CB-CE2 4.33Å; L50-F52 HydrophobicContact CD1-CE2 4.31Å; F52-Y90 AromaticContact CD1-CD2 3.78Å; F52-Y90 HydrophobicContact CD1-CD2 3.78Å; F52-Y90 HydrophobicContact CD1-CG 4.18Å; F52-Y90 AromaticContact CE1-CD2 3.35Å; F52-Y90 HydrophobicContact CE1-CD2 3.35Å; F52-Y90 HydrophobicContact CE1-CE2 4.08Å; F52-Y90 AromaticContact CE1-CG 3.9Å; F52-Y90 HydrophobicContact CE1-CG 3.9Å; F52-Y90 AromaticContact CZ-CD2 3.81Å; F52-Y90 HydrophobicContact CZ-CD2 3.81Å; F52-Y90 HydrophobicContact CZ-CE2 4.13Å; F52-V98 HydrophobicContact CD1-CB 4.3Å; F52-V98 HydrophobicContact CD1-CG1 4.04Å; F52-V98 HydrophobicContact CD1-CG2 3.74Å; F52-V98 HydrophobicContact CD2-CG1 4.27Å; F52-V98 HydrophobicContact CE1-CB 4.09Å; F52-V98 HydrophobicContact CE1-CG1 3.93Å; F52-V98 HydrophobicContact CE1-CG2 3.94Å; F52-V98 HydrophobicContact CE2-CG1 4.16Å; F52-V98 HydrophobicContact CG-CG1 4.21Å; F52-V98 HydrophobicContact CG-CG2 4.44Å; F52-V98 HydrophobicContact CZ-CG1 3.99Å; F52-K101 HydrophobicContact CE1-CB 4.25Å; F52-K101 HydrophobicContact CZ-CB 3.93Å; F52-I102 HydrophobicContact CE2-CD1 3.84Å; F52-I102 HydrophobicContact CE2-CG1 3.61Å; F52-I102 HydrophobicContact CZ-CD1 4.27Å; F52-I102 HydrophobicContact CZ-CG1 3.85Å; F52-L118 HydrophobicContact CD2-CD1 3.61Å; F52-L118 HydrophobicContact CE2-CD1 3.52Å; F52-A119 PolarHBondContact N-O 3.2Å; F52-F120 HydrophobicContact CB-CD1 3.73Å; F52-F120 HydrophobicContact CB-CE1 3.87Å; F52-F120 HydrophobicContact CD2-CD1 4.14Å; F52-F120 AromaticContact CD2-CE1 3.57Å; F52-F120 HydrophobicContact CD2-CE1 3.57Å; F52-F120 AromaticContact CD2-CZ 3.91Å; F52-F120 HydrophobicContact CD2-CZ 3.91Å; F52-F120 HydrophobicContact CE2-CE1 4.41Å; F52-F120 HydrophobicContact CE2-CZ 4.42Å; F52-F120 HydrophobicContact CG-CD1 4.28Å; F52-F120 AromaticContact CG-CE1 3.92Å; F52-F120 HydrophobicContact CG-CE1 3.92Å; F52-L121 PolarHBondContact O-N 2.95Å |
| 53 | N | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.4 | -178.3 | 177 | 55.6 | 0 | 0 | 0 | 109.3 | T69 N70 R73 Y90 D91 D92 L121 | N53-T69 WeakPolarHBondContact OD1-CB 3.43Å; N53-T69 WeakPolarHBondContact OD1-CG2 3.41Å; N53-T69 PolarHBondContact OD1-O 2.87Å; N53-T69 PolarHBondContact OD1-OG1 2.58Å; N53-N70 PolarHBondContact ND2-OD1 3.45Å; N53-R73 HydrophobicContact CB-CB 4.27Å; N53-R73 HydrophobicContact CB-CG 4.46Å; N53-Y90 PolarHBondContact N-O 3.31Å; N53-D91 WeakPolarHBondContact CB-OD1 3.33Å; N53-D91 PolarHBondContact ND2-OD1 2.93Å; N53-D91 CarbonylContact O-C 3.37Å; N53-D91 WeakPolarHBondContact O-CA 3.19Å; N53-D92 PolarHBondContact O-N 2.78Å; N53-L121 HydrophobicContact CB-CD1 4.43Å |
| 54 | Q | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | trans | -116.3 | 97.7 | -174.9 | -59.4 | -76.3 | -16.1 | 0 | 0 | 107.7 | F57 R66 Y93 L121 S122 Y132 | Q54-F57 HydrophobicContact CB-CE1 3.8Å; Q54-F57 HydrophobicContact CB-CZ 3.61Å; Q54-R66 PolarHBondContact O-NH1 3.37Å; Q54-Y93 PolarHBondContact NE2-O 3.48Å; Q54-Y93 PolarHBondContact OE1-O 3.21Å; Q54-L121 PolarHBondContact N-O 3Å; Q54-S122 WeakPolarHBondContact CB-OG 3.46Å; Q54-Y132 VanDerWaalsContact OE1-N 3.15Å | ||
| 55 | E | 95.6 | Very high | 94.6 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | trans | -88.1 | -37.3 | 174.2 | -175.4 | 170.5 | -140.5 | 0 | 0 | 110.8 | P65 R66 T69 N70 D92 | E55-P65 CarbonylContact O-C 3.33Å; E55-P65 WeakPolarHBondContact O-CA 3.45Å; E55-R66 PolarHBondContact O-N 3.48Å; E55-T69 HydrophobicContact CB-CG2 3.6Å; E55-T69 HydrophobicContact CG-CG2 4.04Å; E55-N70 PolarHBondContact OE1-ND2 2.88Å; E55-N70 PolarHBondContact OE2-ND2 3.23Å; E55-D92 PolarHBondContact N-OD1 3.16Å | ||
| 56 | R | 94.3 | Very high | 94.4 | Very high | 153 Ų | 153 | 48.2 Ų | 48.2 | 58% | 0.577 | 23% | 0.233 | S | C | * | . | trans | -122.1 | 152.3 | -174 | -54.3 | 179.2 | 178.6 | -149 | -3 | 111.2 | D92 Y132 | R56-D92 VanDerWaalsContact CB-OD2 3.32Å; R56-D92 WeakPolarHBondContact CB-OD2 3.42Å; R56-D92 WeakPolarHBondContact CD-OD2 3.49Å; R56-D92 WeakPolarHBondContact CG-OD2 3.48Å; R56-D92 PolarHBondContact N-OD1 2.96Å; R56-Y132 HydrophobicContact CB-CE2 4.37Å; R56-Y132 VanDerWaalsContact O-CD2 3.31Å; R56-Y132 WeakPolarHBondContact O-CD2 3.45Å | ||
| 57 | F | 94.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 9% | 0.088 | 25% | 0.25 | C | C | . | . | trans | -133.9 | 153.4 | -176.3 | -59.9 | -84 | 0 | 0 | 0 | 109.9 | Q54 W59 L61 L63 R66 S122 H123 | Q54-F57 HydrophobicContact CB-CE1 3.8Å; Q54-F57 HydrophobicContact CB-CZ 3.61Å; F57-W59 PolarHBondContact O-N 2.65Å; F57-L61 HydrophobicContact CB-CD1 4.39Å; F57-L63 HydrophobicContact CB-CB 3.92Å; F57-L63 HydrophobicContact CB-CD1 4.29Å; F57-L63 HydrophobicContact CD1-CD1 3.78Å; F57-L63 HydrophobicContact CD2-CB 3.97Å; F57-L63 HydrophobicContact CE1-CD1 4.29Å; F57-L63 HydrophobicContact CG-CB 3.88Å; F57-L63 HydrophobicContact CG-CD1 3.91Å; F57-R66 HydrophobicContact CE2-CG 4.02Å; F57-S122 WeakPolarHBondContact CE1-OG 3.06Å; F57-H123 AromaticContact CD2-CD2 3.81Å; F57-H123 AromaticContact CE2-CD2 3.33Å; F57-H123 WeakPolarHBondContact CE2-CD2 3.2Å; F57-H123 AromaticContact CE2-NE2 3.86Å; F57-H123 HydrophobicContact CZ-CB 4.44Å; F57-H123 AromaticContact CZ-CD2 3.6Å | ||
| 58 | F | 94.8 | Very high | 93.9 | Very high | 69 Ų | 69 | 51 Ų | 51 | 30% | 0.303 | 25% | 0.254 | S | S | . | . | trans | -63.1 | 127.5 | 174.9 | -178.9 | -126.5 | 0 | 0 | 0 | 109.7 | R60 L61 Y132 D133 | F58-R60 HydrophobicContact CD1-CB 3.92Å; F58-R60 HydrophobicContact CD1-CG 4.31Å; F58-R60 HydrophobicContact CE1-CB 3.72Å; F58-R60 HydrophobicContact CE1-CG 3.67Å; F58-R60 HydrophobicContact CZ-CB 4.5Å; F58-R60 HydrophobicContact CZ-CG 4Å; F58-R60 PolarHBondContact O-N 2.8Å; F58-L61 HydrophobicContact CB-CD1 4.39Å; F58-L61 HydrophobicContact CB-CG 4.41Å; F58-L61 WeakPolarHBondContact O-CB 3.39Å; F58-L61 WeakPolarHBondContact O-CG 3.41Å; F58-L61 PolarHBondContact O-N 2.98Å; F58-Y132 HydrophobicContact CB-CD1 4.24Å; F58-Y132 HydrophobicContact CB-CE1 3.91Å; F58-Y132 VanDerWaalsContact CB-O 3.3Å; F58-Y132 WeakPolarHBondContact CB-O 3.2Å; F58-Y132 HydrophobicContact CD2-CE1 4.41Å; F58-Y132 PolarHBondContact N-O 2.6Å; F58-D133 HydrophobicContact CB-CB 4.29Å | ||
| 59 | W | 89.1 | Confident | 93.7 | Very high | 179 Ų | 179 | 51 Ų | 51 | 68% | 0.678 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -54.4 | -27.8 | -167.8 | 69.3 | -91.6 | 0 | 0 | 0 | 115.1 | F57 L61 G62 | F57-W59 PolarHBondContact O-N 2.65Å; W59-L61 PolarHBondContact O-N 2.91Å; W59-G62 PolarHBondContact O-N 3.15Å |
| 60 | R | 92.6 | Very high | 93.7 | Very high | 178 Ų | 178 | 53.2 Ų | 53.2 | 67% | 0.672 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -68.2 | -17.1 | 177.3 | -66.3 | -167.9 | -179.5 | -95.3 | 2.8 | 114 | F58 G62 | F58-R60 HydrophobicContact CD1-CB 3.92Å; F58-R60 HydrophobicContact CD1-CG 4.31Å; F58-R60 HydrophobicContact CE1-CB 3.72Å; F58-R60 HydrophobicContact CE1-CG 3.67Å; F58-R60 HydrophobicContact CZ-CB 4.5Å; F58-R60 HydrophobicContact CZ-CG 4Å; F58-R60 PolarHBondContact O-N 2.8Å; R60-G62 VanDerWaalsContact C-N 3.29Å |
| 61 | L | 89.3 | Confident | 93.6 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 28% | 0.277 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -77.1 | -15.5 | 175.4 | -56.7 | 179.7 | 0 | 0 | 0 | 112.4 | F57 F58 W59 L63 Y130 Y132 | F57-L61 HydrophobicContact CB-CD1 4.39Å; F58-L61 HydrophobicContact CB-CD1 4.39Å; F58-L61 HydrophobicContact CB-CG 4.41Å; F58-L61 WeakPolarHBondContact O-CB 3.39Å; F58-L61 WeakPolarHBondContact O-CG 3.41Å; F58-L61 PolarHBondContact O-N 2.98Å; W59-L61 PolarHBondContact O-N 2.91Å; L61-L63 HydrophobicContact CB-CD1 4.13Å; L61-L63 HydrophobicContact CB-CG 4.07Å; L61-L63 HydrophobicContact CD1-CD1 4.38Å; L61-L63 PolarHBondContact O-N 3.17Å; L61-Y130 HydrophobicContact CD1-CD1 4.11Å; L61-Y130 HydrophobicContact CD1-CE1 4.45Å; L61-Y132 WeakPolarHBondContact CD1-O 3.4Å |
| 62 | G | 87.8 | Confident | 93.6 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 65% | 0.649 | 28% | 0.277 | S | S | * | . | trans | 67.9 | 10.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | W59 R60 | W59-G62 PolarHBondContact O-N 3.15Å; R60-G62 VanDerWaalsContact C-N 3.29Å | ||
| 63 | L | 88.2 | Confident | 93.6 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 137.8 | -176.4 | -63.8 | 175.3 | 0 | 0 | 0 | 112.4 | F57 L61 H123 Y130 | F57-L63 HydrophobicContact CB-CB 3.92Å; F57-L63 HydrophobicContact CB-CD1 4.29Å; F57-L63 HydrophobicContact CD1-CD1 3.78Å; F57-L63 HydrophobicContact CD2-CB 3.97Å; F57-L63 HydrophobicContact CE1-CD1 4.29Å; F57-L63 HydrophobicContact CG-CB 3.88Å; F57-L63 HydrophobicContact CG-CD1 3.91Å; L61-L63 HydrophobicContact CB-CD1 4.13Å; L61-L63 HydrophobicContact CB-CG 4.07Å; L61-L63 HydrophobicContact CD1-CD1 4.38Å; L61-L63 PolarHBondContact O-N 3.17Å; L63-H123 HydrophobicContact CD1-CB 4.18Å; L63-H123 HydrophobicContact CD2-CB 4.37Å; L63-Y130 HydrophobicContact CD1-CD1 3.53Å; L63-Y130 HydrophobicContact CD1-CD2 3.97Å; L63-Y130 HydrophobicContact CD1-CE1 3.88Å; L63-Y130 HydrophobicContact CD1-CE2 4.31Å; L63-Y130 HydrophobicContact CD1-CG 3.57Å |
| 64 | N | 88.3 | Confident | 93.6 | Very high | 122 Ų | 122 | 60.6 Ų | 60.6 | 65% | 0.652 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 147.4 | 177.3 | -69.4 | -47.9 | 0 | 0 | 0 | 112 | H123 | N64-H123 PolarHBondContact O-NE2 2.72Š|
| 65 | P | 90.9 | Very high | 93.6 | Very high | 82 Ų | 82 | 62.8 Ų | 62.8 | 53% | 0.532 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 142.9 | 172.7 | -23.4 | 34.1 | 0 | 0 | 0 | 113.3 | E55 S67 | E55-P65 CarbonylContact O-C 3.33Å; E55-P65 WeakPolarHBondContact O-CA 3.45Å; P65-S67 PolarHBondContact O-N 3.41Å |
| 66 | R | 93.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -99.4 | 53.2 | -174.1 | -67.6 | 177.1 | 62.7 | -91.6 | -6.4 | 113.6 | Q54 E55 F57 G68 T69 L121 S122 H123 R217 | Q54-R66 PolarHBondContact O-NH1 3.37Å; E55-R66 PolarHBondContact O-N 3.48Å; F57-R66 HydrophobicContact CE2-CG 4.02Å; R66-G68 PolarHBondContact O-N 3.14Å; R66-T69 HydrophobicContact CB-CG2 4.24Å; R66-T69 PolarHBondContact NH1-OG1 3.38Å; R66-T69 VanDerWaalsContact O-CB 3.24Å; R66-T69 WeakPolarHBondContact O-CB 3.36Å; R66-T69 WeakPolarHBondContact O-CG2 3.41Å; R66-T69 PolarHBondContact O-N 2.83Å; R66-L121 VanDerWaalsContact NH1-C 3.3Å; R66-L121 PolarHBondContact NH1-O 3.48Å; R66-S122 PolarHBondContact NE-O 2.57Å; R66-H123 WeakPolarHBondContact CG-NE2 3.49Å; R66-R217 VanDerWaalsContact C-NH1 3.28Å | ||
| 67 | S | 91.5 | Very high | 93.9 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | 133.8 | 178.3 | -50.4 | 0 | 0 | 0 | 0 | 112.6 | P65 R217 T219 | P65-S67 PolarHBondContact O-N 3.41Å; S67-R217 PolarHBondContact O-NH1 3.44Å; S67-T219 CarbonylContact C-O 3.53Å |
| 68 | G | 92.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | -16 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R66 N70 A71 D72 T219 G222 | R66-G68 PolarHBondContact O-N 3.14Å; G68-N70 PolarHBondContact O-N 3.25Å; G68-A71 WeakPolarHBondContact O-CA 3.42Å; G68-A71 VanDerWaalsContact O-CB 3.31Å; G68-A71 WeakPolarHBondContact O-CB 3.37Å; G68-A71 PolarHBondContact O-N 3.09Å; G68-D72 PolarHBondContact O-N 3.44Å; G68-T219 WeakPolarHBondContact CA-O 3.47Å; G68-T219 PolarHBondContact N-O 2.82Å; G68-G222 WeakPolarHBondContact O-CA 3.48Å |
| 69 | T | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -26.9 | 173.2 | -164.1 | 0 | 0 | 0 | 0 | 113 | N53 E55 R66 A71 D72 R73 L121 | N53-T69 WeakPolarHBondContact OD1-CB 3.43Å; N53-T69 WeakPolarHBondContact OD1-CG2 3.41Å; N53-T69 PolarHBondContact OD1-O 2.87Å; N53-T69 PolarHBondContact OD1-OG1 2.58Å; E55-T69 HydrophobicContact CB-CG2 3.6Å; E55-T69 HydrophobicContact CG-CG2 4.04Å; R66-T69 HydrophobicContact CB-CG2 4.24Å; R66-T69 PolarHBondContact NH1-OG1 3.38Å; R66-T69 VanDerWaalsContact O-CB 3.24Å; R66-T69 WeakPolarHBondContact O-CB 3.36Å; R66-T69 WeakPolarHBondContact O-CG2 3.41Å; R66-T69 PolarHBondContact O-N 2.83Å; T69-A71 VanDerWaalsContact C-N 3.3Å; T69-A71 PolarHBondContact O-N 3.48Å; T69-D72 WeakPolarHBondContact O-CB 3.44Å; T69-D72 PolarHBondContact O-N 3.44Å; T69-R73 PolarHBondContact O-N 2.85Å; T69-L121 WeakPolarHBondContact OG1-CB 3.19Å |
| 70 | N | 97.6 | Very high | 94.7 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.8 | -30.9 | 172.8 | -64.3 | -30.5 | 0 | 0 | 0 | 112.2 | N53 E55 G68 H74 | N53-N70 PolarHBondContact ND2-OD1 3.45Å; E55-N70 PolarHBondContact OE1-ND2 2.88Å; E55-N70 PolarHBondContact OE2-ND2 3.23Å; G68-N70 PolarHBondContact O-N 3.25Å; N70-H74 PolarHBondContact O-N 3.28Å; N70-H74 VanDerWaalsContact O-N 3.09Å; N70-H74 PolarHBondContact O-ND1 3.1Å |
| 71 | A | 97.5 | Very high | 95 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70 | -40.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | G68 T69 H74 N75 I220 | G68-A71 WeakPolarHBondContact O-CA 3.42Å; G68-A71 VanDerWaalsContact O-CB 3.31Å; G68-A71 WeakPolarHBondContact O-CB 3.37Å; G68-A71 PolarHBondContact O-N 3.09Å; T69-A71 VanDerWaalsContact C-N 3.3Å; T69-A71 PolarHBondContact O-N 3.48Å; A71-H74 PolarHBondContact O-N 3.1Å; A71-N75 VanDerWaalsContact O-CB 3.3Å; A71-N75 WeakPolarHBondContact O-CB 3.43Å; A71-N75 VanDerWaalsContact O-CG 3.31Å; A71-N75 PolarHBondContact O-N 2.82Å; A71-N75 PolarHBondContact O-ND2 2.95Å; A71-N75 VanDerWaalsContact O-ND2 3.16Å; A71-I220 WeakPolarHBondContact CB-O 3.49Å |
| 72 | D | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 172.2 | -72.1 | -17.7 | 0 | 0 | 0 | 111.4 | G68 T69 N75 L76 L121 G222 S223 I226 | G68-D72 PolarHBondContact O-N 3.44Å; T69-D72 WeakPolarHBondContact O-CB 3.44Å; T69-D72 PolarHBondContact O-N 3.44Å; D72-N75 PolarHBondContact O-N 2.75Å; D72-L76 WeakPolarHBondContact O-CB 3.42Å; D72-L76 PolarHBondContact O-N 3.44Å; D72-L121 HydrophobicContact CB-CD1 3.87Å; D72-G222 VanDerWaalsContact OD1-CA 3.24Å; D72-G222 WeakPolarHBondContact OD1-CA 3.3Å; D72-S223 VanDerWaalsContact CG-N 3.26Å; D72-S223 VanDerWaalsContact CG-OG 3.23Å; D72-S223 PolarHBondContact OD1-N 3.49Å; D72-S223 PolarHBondContact OD1-OG 3.17Å; D72-S223 VanDerWaalsContact OD2-CB 3.25Å; D72-S223 WeakPolarHBondContact OD2-CB 3.45Å; D72-S223 PolarHBondContact OD2-N 2.92Å; D72-S223 PolarHBondContact OD2-OG 2.93Å; D72-I226 HydrophobicContact CB-CB 4.05Å; D72-I226 HydrophobicContact CB-CG1 4.27Å; D72-I226 HydrophobicContact CB-CG2 3.75Å; D72-I226 WeakPolarHBondContact OD1-CB 3.43Å |
| 73 | R | 98.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.5 | -57.5 | 176 | 175.4 | 167.1 | 74.5 | 75.9 | -16.2 | 111.4 | I51 N53 T69 N75 L76 E77 D91 L121 | I51-R73 HydrophobicContact CG2-CG 4.48Å; N53-R73 HydrophobicContact CB-CB 4.27Å; N53-R73 HydrophobicContact CB-CG 4.46Å; T69-R73 PolarHBondContact O-N 2.85Å; R73-N75 VanDerWaalsContact C-N 3.29Å; R73-N75 PolarHBondContact O-N 2.99Å; R73-L76 PolarHBondContact O-N 3.25Å; R73-E77 VanDerWaalsContact CD-OE1 3.24Å; R73-E77 WeakPolarHBondContact CD-OE1 3.35Å; R73-E77 HydrophobicContact CG-CG 4.13Å; R73-E77 WeakPolarHBondContact CG-OE1 3.44Å; R73-E77 IonicContact CZ-OE1 2.72Å; R73-E77 IonicContact NE-OE1 3.54Å; R73-E77 IonicContact NH1-OE1 3.86Å; R73-E77 PolarHBondContact NH1-OE1 3.36Å; R73-E77 IonicContact NH1-OE2 3.73Å; R73-E77 PolarHBondContact NH1-OE2 2.94Å; R73-E77 WeakPolarHBondContact O-CB 3.24Å; R73-E77 VanDerWaalsContact O-CG 3.25Å; R73-E77 WeakPolarHBondContact O-CG 3.48Å; R73-E77 PolarHBondContact O-N 2.62Å; R73-D91 WeakPolarHBondContact CD-OD1 3.34Å; R73-D91 IonicContact CZ-OD1 2.75Å; R73-D91 IonicContact CZ-OD2 3.57Å; R73-D91 IonicContact NE-OD1 2.77Å; R73-D91 PolarHBondContact NE-OD1 2.91Å; R73-D91 IonicContact NE-OD2 3.55Å; R73-D91 PolarHBondContact NE-OD2 2.98Å; R73-D91 IonicContact NH2-OD1 3.59Å; R73-D91 IonicContact NH2-OD2 3.56Å; R73-D91 PolarHBondContact NH2-OD2 2.95Å; R73-L121 HydrophobicContact CB-CD1 4.07Å |
| 74 | H | 98.3 | Very high | 96.2 | Very high | 94 Ų | 94 | 47 Ų | 47 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -33 | -176.5 | -75.1 | 83.9 | 0 | 0 | 0 | 113 | N70 A71 R78 | N70-H74 PolarHBondContact O-N 3.28Å; N70-H74 VanDerWaalsContact O-N 3.09Å; N70-H74 PolarHBondContact O-ND1 3.1Å; A71-H74 PolarHBondContact O-N 3.1Å; H74-R78 WeakPolarHBondContact O-CB 3.45Å; H74-R78 PolarHBondContact O-N 3.35Å |
| 75 | N | 98.2 | Very high | 96.7 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.8 | -46.6 | 175.5 | -78.2 | -34 | 0 | 0 | 0 | 111.3 | A71 D72 R73 R78 R79 C230 | A71-N75 VanDerWaalsContact O-CB 3.3Å; A71-N75 WeakPolarHBondContact O-CB 3.43Å; A71-N75 VanDerWaalsContact O-CG 3.31Å; A71-N75 PolarHBondContact O-N 2.82Å; A71-N75 PolarHBondContact O-ND2 2.95Å; A71-N75 VanDerWaalsContact O-ND2 3.16Å; D72-N75 PolarHBondContact O-N 2.75Å; R73-N75 VanDerWaalsContact C-N 3.29Å; R73-N75 PolarHBondContact O-N 2.99Å; N75-R78 PolarHBondContact O-N 3.06Å; N75-R78 PolarHBondContact OD1-NH1 2.88Å; N75-R79 WeakPolarHBondContact O-CG 3.39Å; N75-R79 PolarHBondContact O-N 2.94Å; N75-C230 VanDerWaalsContact C-SG 3.6Å; N75-C230 HydrophobicContact CB-CB 4.21Å |
| 76 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | -179.9 | -172.6 | 62 | 0 | 0 | 0 | 111.6 | I51 D72 R73 R78 R79 L80 A119 I161 I226 | I51-L76 HydrophobicContact CD1-CB 4.4Å; I51-L76 HydrophobicContact CD1-CD2 4.18Å; I51-L76 HydrophobicContact CD1-CG 4.14Å; I51-L76 HydrophobicContact CG1-CD2 4.39Å; D72-L76 WeakPolarHBondContact O-CB 3.42Å; D72-L76 PolarHBondContact O-N 3.44Å; R73-L76 PolarHBondContact O-N 3.25Å; L76-R78 VanDerWaalsContact C-N 3.34Å; L76-R78 PolarHBondContact O-N 2.88Å; L76-R79 PolarHBondContact O-N 2.62Å; L76-L80 HydrophobicContact CD1-CD1 4Å; L76-L80 HydrophobicContact CD1-CG 4.14Å; L76-L80 HydrophobicContact CD2-CD1 4.48Å; L76-L80 HydrophobicContact CG-CD1 3.83Å; L76-L80 HydrophobicContact CG-CG 4.33Å; L76-L80 WeakPolarHBondContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.14Å; L76-L80 PolarHBondContact O-N 3.1Å; L76-A119 HydrophobicContact CD2-CB 3.71Å; L76-I161 HydrophobicContact CD1-CD1 4.47Å; L76-I226 HydrophobicContact CB-CG2 4.39Å |
| 77 | E | 98.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 13% | 0.131 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -51.1 | -52.4 | 172.7 | -76.9 | 171.6 | 179.4 | 0 | 0 | 111.4 | I51 R73 R79 L80 L81 V87 S89 | I51-E77 HydrophobicContact CD1-CB 4.49Å; I51-E77 HydrophobicContact CD1-CG 3.68Å; R73-E77 VanDerWaalsContact CD-OE1 3.24Å; R73-E77 WeakPolarHBondContact CD-OE1 3.35Å; R73-E77 HydrophobicContact CG-CG 4.13Å; R73-E77 WeakPolarHBondContact CG-OE1 3.44Å; R73-E77 IonicContact CZ-OE1 2.72Å; R73-E77 IonicContact NE-OE1 3.54Å; R73-E77 IonicContact NH1-OE1 3.86Å; R73-E77 PolarHBondContact NH1-OE1 3.36Å; R73-E77 IonicContact NH1-OE2 3.73Å; R73-E77 PolarHBondContact NH1-OE2 2.94Å; R73-E77 WeakPolarHBondContact O-CB 3.24Å; R73-E77 VanDerWaalsContact O-CG 3.25Å; R73-E77 WeakPolarHBondContact O-CG 3.48Å; R73-E77 PolarHBondContact O-N 2.62Å; E77-R79 VanDerWaalsContact C-N 3.35Å; E77-R79 PolarHBondContact O-N 2.86Å; E77-L80 PolarHBondContact O-N 3.34Å; E77-L81 WeakPolarHBondContact O-CB 3.36Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.48Å; E77-L81 PolarHBondContact O-N 2.74Å; E77-V87 HydrophobicContact CB-CG1 4.38Å; E77-V87 HydrophobicContact CG-CG1 3.96Å; E77-S89 WeakPolarHBondContact OE1-CB 3.42Å; E77-S89 PolarHBondContact OE1-OG 2.81Å |
| 78 | R | 98.3 | Very high | 97.6 | Very high | 120 Ų | 120 | 43.4 Ų | 43.4 | 45% | 0.453 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58 | -45 | -179.3 | -173.7 | -174.8 | -65.6 | 130.1 | -4.9 | 112 | H74 N75 L76 E82 | H74-R78 WeakPolarHBondContact O-CB 3.45Å; H74-R78 PolarHBondContact O-N 3.35Å; N75-R78 PolarHBondContact O-N 3.06Å; N75-R78 PolarHBondContact OD1-NH1 2.88Å; L76-R78 VanDerWaalsContact C-N 3.34Å; L76-R78 PolarHBondContact O-N 2.88Å; R78-E82 VanDerWaalsContact O-CG 3.28Å; R78-E82 WeakPolarHBondContact O-CG 3.46Å; R78-E82 PolarHBondContact O-N 3.48Å; R78-E82 VanDerWaalsContact O-N 3.11Å |
| 79 | R | 98 | Very high | 97.9 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.5 | -35.8 | -178.9 | -59.6 | -61.4 | 148.9 | -145.9 | -12.8 | 112.7 | N75 L76 E77 E82 L83 C230 L233 | N75-R79 WeakPolarHBondContact O-CG 3.39Å; N75-R79 PolarHBondContact O-N 2.94Å; L76-R79 PolarHBondContact O-N 2.62Å; E77-R79 VanDerWaalsContact C-N 3.35Å; E77-R79 PolarHBondContact O-N 2.86Å; R79-E82 WeakPolarHBondContact CD-OE2 3.4Å; R79-E82 IonicContact CZ-OE1 2.83Å; R79-E82 IonicContact CZ-OE2 2.74Å; R79-E82 IonicContact NE-OE2 3.49Å; R79-E82 IonicContact NH1-OE1 3.7Å; R79-E82 PolarHBondContact NH1-OE1 3.29Å; R79-E82 IonicContact NH1-OE2 2.82Å; R79-E82 PolarHBondContact NH1-OE2 2.68Å; R79-E82 PolarHBondContact O-N 3.37Å; R79-L83 WeakPolarHBondContact O-CG 3.5Å; R79-L83 PolarHBondContact O-N 3.43Å; R79-L83 VanDerWaalsContact O-N 3.15Å; R79-C230 WeakPolarHBondContact CD-O 3.32Å; R79-C230 HydrophobicContact CG-CB 3.9Å; R79-L233 HydrophobicContact CB-CB 4.23Å; R79-L233 HydrophobicContact CB-CD1 4.28Å; R79-L233 HydrophobicContact CG-CB 4.41Å |
| 80 | L | 98.2 | Very high | 98 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.9 | -36.3 | 177.9 | -65.6 | 178.7 | 0 | 0 | 0 | 112 | A49 I51 L76 E77 L83 N84 F85 V87 L117 | A49-L80 HydrophobicContact CB-CD1 3.94Å; I51-L80 HydrophobicContact CD1-CD1 4.32Å; L76-L80 HydrophobicContact CD1-CD1 4Å; L76-L80 HydrophobicContact CD1-CG 4.14Å; L76-L80 HydrophobicContact CD2-CD1 4.48Å; L76-L80 HydrophobicContact CG-CD1 3.83Å; L76-L80 HydrophobicContact CG-CG 4.33Å; L76-L80 WeakPolarHBondContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.14Å; L76-L80 PolarHBondContact O-N 3.1Å; E77-L80 PolarHBondContact O-N 3.34Å; L80-L83 CarbonylContact O-C 3.53Å; L80-L83 PolarHBondContact O-N 3.05Å; L80-N84 PolarHBondContact O-N 2.93Å; L80-F85 HydrophobicContact CB-CB 4.23Å; L80-F85 HydrophobicContact CB-CD2 4.22Å; L80-F85 HydrophobicContact CB-CG 4.45Å; L80-F85 HydrophobicContact CD2-CD2 3.96Å; L80-F85 HydrophobicContact CD2-CE2 4.01Å; L80-F85 WeakPolarHBondContact O-CB 3.37Å; L80-F85 WeakPolarHBondContact O-CD2 3.28Å; L80-F85 PolarHBondContact O-N 3.06Å; L80-V87 HydrophobicContact CB-CG2 3.59Å; L80-L117 HydrophobicContact CD1-CD1 4.17Å; L80-L117 HydrophobicContact CD1-CD2 3.78Å; L80-L117 HydrophobicContact CD2-CD1 3.74Å |
| 81 | L | 97.9 | Very high | 98 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 170.1 | -72.1 | 169.6 | 0 | 0 | 0 | 111.9 | E77 L83 N84 V87 | E77-L81 WeakPolarHBondContact O-CB 3.36Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.48Å; E77-L81 PolarHBondContact O-N 2.74Å; L81-L83 PolarHBondContact O-N 3.48Å; L81-N84 WeakPolarHBondContact O-CA 3.35Å; L81-N84 PolarHBondContact O-N 2.93Å; L81-V87 HydrophobicContact CD2-CB 4.1Å; L81-V87 HydrophobicContact CD2-CG2 3.87Å; L81-V87 HydrophobicContact CG-CB 4.24Å; L81-V87 HydrophobicContact CG-CG2 3.81Å |
| 82 | E | 96.6 | Very high | 98 | Very high | 102 Ų | 102 | 48.3 Ų | 48.3 | 48% | 0.477 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.1 | -29.2 | 174.5 | -74.1 | 167.8 | -173.5 | 0 | 0 | 113.2 | R78 R79 N84 | R78-E82 VanDerWaalsContact O-CG 3.28Å; R78-E82 WeakPolarHBondContact O-CG 3.46Å; R78-E82 PolarHBondContact O-N 3.48Å; R78-E82 VanDerWaalsContact O-N 3.11Å; R79-E82 WeakPolarHBondContact CD-OE2 3.4Å; R79-E82 IonicContact CZ-OE1 2.83Å; R79-E82 IonicContact CZ-OE2 2.74Å; R79-E82 IonicContact NE-OE2 3.49Å; R79-E82 IonicContact NH1-OE1 3.7Å; R79-E82 PolarHBondContact NH1-OE1 3.29Å; R79-E82 IonicContact NH1-OE2 2.82Å; R79-E82 PolarHBondContact NH1-OE2 2.68Å; R79-E82 PolarHBondContact O-N 3.37Å; E82-N84 VanDerWaalsContact C-N 3.27Å; E82-N84 PolarHBondContact O-N 3.1Å |
| 83 | L | 96.8 | Very high | 98 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 11.3 | 174.4 | -63.6 | 175.5 | 0 | 0 | 0 | 113.9 | R46 R79 L80 L81 F85 L233 F285 | R46-L83 PolarHBondContact NE-O 2.97Å; R79-L83 WeakPolarHBondContact O-CG 3.5Å; R79-L83 PolarHBondContact O-N 3.43Å; R79-L83 VanDerWaalsContact O-N 3.15Å; L80-L83 CarbonylContact O-C 3.53Å; L80-L83 PolarHBondContact O-N 3.05Å; L81-L83 PolarHBondContact O-N 3.48Å; L83-F85 HydrophobicContact CB-CD2 3.96Å; L83-F85 HydrophobicContact CB-CE2 4.05Å; L83-L233 HydrophobicContact CD1-CD2 4.04Å; L83-F285 HydrophobicContact CD1-CB 4.39Å; L83-F285 HydrophobicContact CD2-CB 3.95Å |
| 84 | N | 97.5 | Very high | 98 | Very high | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 24.3 | 178.3 | -51.2 | 118 | 0 | 0 | 0 | 116.2 | R46 L80 L81 E82 K288 | R46-N84 HydrophobicContact CB-CB 4.36Å; R46-N84 WeakPolarHBondContact CB-O 3.28Å; L80-N84 PolarHBondContact O-N 2.93Å; L81-N84 WeakPolarHBondContact O-CA 3.35Å; L81-N84 PolarHBondContact O-N 2.93Å; E82-N84 VanDerWaalsContact C-N 3.27Å; E82-N84 PolarHBondContact O-N 3.1Å; N84-K288 HydrophobicContact CB-CD 3.9Å; N84-K288 HydrophobicContact CB-CG 4.29Å |
| 85 | F | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | trans | -72.5 | 148.6 | 170.5 | -73 | -94.2 | 0 | 0 | 0 | 112.3 | R46 A49 L80 L83 V87 C115 L117 F285 | R46-F85 HydrophobicContact CB-CG 4.42Å; R46-F85 HydrophobicContact CG-CD1 3.79Å; R46-F85 HydrophobicContact CG-CD2 3.7Å; R46-F85 HydrophobicContact CG-CE1 3.75Å; R46-F85 HydrophobicContact CG-CE2 3.65Å; R46-F85 HydrophobicContact CG-CG 3.78Å; R46-F85 HydrophobicContact CG-CZ 3.68Å; A49-F85 HydrophobicContact CB-CB 3.79Å; A49-F85 HydrophobicContact CB-CD1 3.83Å; A49-F85 HydrophobicContact CB-CG 4.02Å; L80-F85 HydrophobicContact CB-CB 4.23Å; L80-F85 HydrophobicContact CB-CD2 4.22Å; L80-F85 HydrophobicContact CB-CG 4.45Å; L80-F85 HydrophobicContact CD2-CD2 3.96Å; L80-F85 HydrophobicContact CD2-CE2 4.01Å; L80-F85 WeakPolarHBondContact O-CB 3.37Å; L80-F85 WeakPolarHBondContact O-CD2 3.28Å; L80-F85 PolarHBondContact O-N 3.06Å; L83-F85 HydrophobicContact CB-CD2 3.96Å; L83-F85 HydrophobicContact CB-CE2 4.05Å; F85-V87 HydrophobicContact CB-CG2 4Å; F85-V87 PolarHBondContact O-N 3.44Å; F85-C115 VanDerWaalsContact CE1-SG 3.54Å; F85-L117 HydrophobicContact CD1-CB 4.44Å; F85-L117 HydrophobicContact CE1-CB 3.93Å; F85-L117 HydrophobicContact CE1-CD1 4.43Å; F85-L117 HydrophobicContact CZ-CD1 4.27Å; F85-F285 HydrophobicContact CE2-CD1 4.2Å; F85-F285 HydrophobicContact CE2-CE1 4.11Å; F85-F285 HydrophobicContact CZ-CD1 4.25Å; F85-F285 AromaticContact CZ-CE1 3.72Å; F85-F285 HydrophobicContact CZ-CE1 3.72Å; F85-F285 HydrophobicContact CZ-CZ 4.3Å | ||
| 86 | D | 98.2 | Very high | 97.9 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 94.5 | 162.4 | 172.8 | 27.4 | 0 | 0 | 0 | 108.1 | G47 V48 A49 R88 | G47-D86 PolarHBondContact O-N 2.98Å; V48-D86 WeakPolarHBondContact CA-O 3.35Å; A49-D86 PolarHBondContact N-O 3.48Å; D86-R88 IonicContact OD1-NE 3.22Å; D86-R88 IonicContact OD2-CZ 3.64Å; D86-R88 IonicContact OD2-NE 2.68Å; D86-R88 PolarHBondContact OD2-NE 2.82Å; D86-R88 VanDerWaalsContact OD2-NE 3.13Å; D86-R88 IonicContact OD2-NH2 3.05Å; D86-R88 PolarHBondContact OD2-NH2 3.38Å |
| 87 | V | 98.6 | Very high | 97.9 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 124.7 | -173.3 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | A49 I51 E77 L80 L81 F85 | A49-V87 HydrophobicContact CB-CG2 4.14Å; A49-V87 WeakPolarHBondContact O-CA 3.42Å; I51-V87 HydrophobicContact CD1-CG1 3.66Å; I51-V87 HydrophobicContact CG1-CG1 4.3Å; E77-V87 HydrophobicContact CB-CG1 4.38Å; E77-V87 HydrophobicContact CG-CG1 3.96Å; L80-V87 HydrophobicContact CB-CG2 3.59Å; L81-V87 HydrophobicContact CD2-CB 4.1Å; L81-V87 HydrophobicContact CD2-CG2 3.87Å; L81-V87 HydrophobicContact CG-CB 4.24Å; L81-V87 HydrophobicContact CG-CG2 3.81Å; F85-V87 HydrophobicContact CB-CG2 4Å; F85-V87 PolarHBondContact O-N 3.44Å |
| 88 | R | 98.4 | Very high | 97.9 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 28% | 0.279 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.1 | 177 | -50.9 | 179.2 | -167 | 168 | 3.1 | 108.7 | A49 L50 I51 D86 Y90 D108 | A49-R88 PolarHBondContact O-N 3.18Å; L50-R88 CarbonylContact C-O 3.37Å; L50-R88 WeakPolarHBondContact CA-O 3.47Å; L50-R88 HydrophobicContact CD2-CB 3.95Å; L50-R88 HydrophobicContact CD2-CG 4.38Å; I51-R88 PolarHBondContact N-O 3.24Å; D86-R88 IonicContact OD1-NE 3.22Å; D86-R88 IonicContact OD2-CZ 3.64Å; D86-R88 IonicContact OD2-NE 2.68Å; D86-R88 PolarHBondContact OD2-NE 2.82Å; D86-R88 VanDerWaalsContact OD2-NE 3.13Å; D86-R88 IonicContact OD2-NH2 3.05Å; D86-R88 PolarHBondContact OD2-NH2 3.38Å; R88-Y90 HydrophobicContact CB-CE2 4.25Å; R88-D108 IonicContact NH1-OD2 3.66Å |
| 89 | S | 98.3 | Very high | 97.9 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.7 | -177.7 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | I51 E77 | I51-S89 CarbonylContact O-C 3.51Å; I51-S89 VanDerWaalsContact O-CA 3.28Å; I51-S89 WeakPolarHBondContact O-CA 3.28Å; E77-S89 WeakPolarHBondContact OE1-CB 3.42Å; E77-S89 PolarHBondContact OE1-OG 2.81Å |
| 90 | Y | 98.5 | Very high | 97.8 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 11% | 0.114 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 116.5 | -171.8 | -52.3 | -70.9 | 0 | 0 | 0 | 109.4 | L50 I51 F52 N53 R88 Y93 K101 | L50-Y90 HydrophobicContact CD2-CE2 4.16Å; I51-Y90 PolarHBondContact O-N 3.49Å; F52-Y90 AromaticContact CD1-CD2 3.78Å; F52-Y90 HydrophobicContact CD1-CD2 3.78Å; F52-Y90 HydrophobicContact CD1-CG 4.18Å; F52-Y90 AromaticContact CE1-CD2 3.35Å; F52-Y90 HydrophobicContact CE1-CD2 3.35Å; F52-Y90 HydrophobicContact CE1-CE2 4.08Å; F52-Y90 AromaticContact CE1-CG 3.9Å; F52-Y90 HydrophobicContact CE1-CG 3.9Å; F52-Y90 AromaticContact CZ-CD2 3.81Å; F52-Y90 HydrophobicContact CZ-CD2 3.81Å; F52-Y90 HydrophobicContact CZ-CE2 4.13Å; N53-Y90 PolarHBondContact N-O 3.31Å; R88-Y90 HydrophobicContact CB-CE2 4.25Å; Y90-Y93 HydrophobicContact CD1-CD2 4.26Å; Y90-Y93 HydrophobicContact CD1-CE1 4.15Å; Y90-Y93 AromaticContact CD1-CE2 3.56Å; Y90-Y93 HydrophobicContact CD1-CE2 3.56Å; Y90-Y93 AromaticContact CD1-CZ 3.5Å; Y90-Y93 VanDerWaalsContact CD1-CZ 3.5Å; Y90-Y93 HydrophobicContact CE1-CE2 4.27Å; Y90-Y93 HydrophobicContact CG-CD2 4.2Å; Y90-Y93 AromaticContact CG-CE2 3.96Å; Y90-Y93 HydrophobicContact CG-CE2 3.96Å; Y90-K101 HydrophobicContact CE1-CG 4.04Å; Y90-K101 HydrophobicContact CE2-CB 4.12Å; Y90-K101 HydrophobicContact CE2-CG 4.31Å |
| 91 | D | 98.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.2 | -177.8 | -70.1 | -35.5 | 0 | 0 | 0 | 110.9 | N53 R73 Y93 | N53-D91 WeakPolarHBondContact CB-OD1 3.33Å; N53-D91 PolarHBondContact ND2-OD1 2.93Å; N53-D91 CarbonylContact O-C 3.37Å; N53-D91 WeakPolarHBondContact O-CA 3.19Å; R73-D91 WeakPolarHBondContact CD-OD1 3.34Å; R73-D91 IonicContact CZ-OD1 2.75Å; R73-D91 IonicContact CZ-OD2 3.57Å; R73-D91 IonicContact NE-OD1 2.77Å; R73-D91 PolarHBondContact NE-OD1 2.91Å; R73-D91 IonicContact NE-OD2 3.55Å; R73-D91 PolarHBondContact NE-OD2 2.98Å; R73-D91 IonicContact NH2-OD1 3.59Å; R73-D91 IonicContact NH2-OD2 3.56Å; R73-D91 PolarHBondContact NH2-OD2 2.95Å; D91-Y93 VanDerWaalsContact C-N 3.26Å; D91-Y93 WeakPolarHBondContact O-CD1 3.46Å; D91-Y93 PolarHBondContact O-N 2.71Å |
| 92 | D | 97.4 | Very high | 97.8 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 52.7 | 33.8 | 174.4 | -64.6 | -17.2 | 0 | 0 | 0 | 115.1 | N53 E55 R56 Y132 | N53-D92 PolarHBondContact O-N 2.78Å; E55-D92 PolarHBondContact N-OD1 3.16Å; R56-D92 VanDerWaalsContact CB-OD2 3.32Å; R56-D92 WeakPolarHBondContact CB-OD2 3.42Å; R56-D92 WeakPolarHBondContact CD-OD2 3.49Å; R56-D92 WeakPolarHBondContact CG-OD2 3.48Å; R56-D92 PolarHBondContact N-OD1 2.96Å; D92-Y132 HydrophobicContact CB-CD2 4.22Å; D92-Y132 WeakPolarHBondContact O-CB 3.25Å |
| 93 | Y | 98.3 | Very high | 97.8 | Very high | 75 Ų | 75 | 54.1 Ų | 54.1 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | trans | -67.5 | 143.6 | 178.9 | -91.2 | 36.1 | 0 | 0 | 0 | 112.5 | Q54 Y90 D91 D97 K101 Y132 | Q54-Y93 PolarHBondContact NE2-O 3.48Å; Q54-Y93 PolarHBondContact OE1-O 3.21Å; Y90-Y93 HydrophobicContact CD1-CD2 4.26Å; Y90-Y93 HydrophobicContact CD1-CE1 4.15Å; Y90-Y93 AromaticContact CD1-CE2 3.56Å; Y90-Y93 HydrophobicContact CD1-CE2 3.56Å; Y90-Y93 AromaticContact CD1-CZ 3.5Å; Y90-Y93 VanDerWaalsContact CD1-CZ 3.5Å; Y90-Y93 HydrophobicContact CE1-CE2 4.27Å; Y90-Y93 HydrophobicContact CG-CD2 4.2Å; Y90-Y93 AromaticContact CG-CE2 3.96Å; Y90-Y93 HydrophobicContact CG-CE2 3.96Å; D91-Y93 VanDerWaalsContact C-N 3.26Å; D91-Y93 WeakPolarHBondContact O-CD1 3.46Å; D91-Y93 PolarHBondContact O-N 2.71Å; Y93-D97 HydrophobicContact CD2-CB 3.44Å; Y93-D97 VanDerWaalsContact CD2-CB 3.44Å; Y93-D97 HydrophobicContact CE2-CB 4.03Å; Y93-D97 HydrophobicContact CG-CB 4.01Å; Y93-K101 HydrophobicContact CE2-CG 4.06Å; Y93-Y132 WeakPolarHBondContact O-CB 3.46Å; Y93-Y132 PolarHBondContact O-N 2.81Å | ||
| 94 | K | 98.1 | Very high | 97.8 | Very high | 99 Ų | 99 | 57 Ų | 57 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | trans | -72.8 | 163.7 | 173.8 | -61.6 | 177.3 | -178.9 | 173.8 | 0 | 111.6 | V96 D97 V98 Y132 D133 | K94-V96 VanDerWaalsContact C-N 3.25Å; K94-V96 HydrophobicContact CB-CG1 4.4Å; K94-V96 PolarHBondContact O-N 2.8Å; K94-D97 VanDerWaalsContact CB-OD2 3.25Å; K94-D97 WeakPolarHBondContact CB-OD2 3.2Å; K94-D97 PolarHBondContact N-OD2 2.82Å; K94-D97 VanDerWaalsContact N-OD2 3.15Å; K94-D97 PolarHBondContact O-N 2.72Å; K94-D97 VanDerWaalsContact O-N 3.1Å; K94-V98 WeakPolarHBondContact O-CG2 3.18Å; K94-V98 PolarHBondContact O-N 3.48Å; K94-Y132 HydrophobicContact CG-CD1 4.22Å; K94-D133 WeakPolarHBondContact CA-OD1 3.41Å; K94-D133 WeakPolarHBondContact CB-OD1 3.43Å; K94-D133 WeakPolarHBondContact CB-OD2 3.39Å | ||
| 95 | L | 97.1 | Very high | 97.8 | Very high | 53 Ų | 53 | 53.1 Ų | 53.1 | 28% | 0.277 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -52.9 | -42.8 | 179.4 | -179.2 | 147 | 0 | 0 | 0 | 112.5 | L99 A131 D133 K135 I136 | L95-L99 HydrophobicContact CD2-CD1 3.68Å; L95-L99 HydrophobicContact CG-CD1 4.34Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 VanDerWaalsContact O-CG 3.3Å; L95-L99 WeakPolarHBondContact O-CG 3.34Å; L95-L99 PolarHBondContact O-N 2.93Å; L95-A131 HydrophobicContact CB-CB 4.17Å; L95-D133 WeakPolarHBondContact CB-OD1 3.4Å; L95-D133 PolarHBondContact N-OD1 2.92Å; L95-K135 WeakPolarHBondContact CD1-O 3.34Å; L95-I136 HydrophobicContact CD1-CG1 3.8Å; L95-I136 HydrophobicContact CG-CD1 4.24Å; L95-I136 HydrophobicContact CG-CG1 3.76Å |
| 96 | V | 97.4 | Very high | 97.6 | Very high | 92 Ų | 92 | 53.2 Ų | 53.2 | 56% | 0.558 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.3 | -44 | 178.6 | 65.4 | 0 | 0 | 0 | 0 | 112 | K94 L99 E100 | K94-V96 VanDerWaalsContact C-N 3.25Å; K94-V96 HydrophobicContact CB-CG1 4.4Å; K94-V96 PolarHBondContact O-N 2.8Å; V96-L99 PolarHBondContact O-N 3Å; V96-E100 WeakPolarHBondContact O-CB 3.44Å; V96-E100 PolarHBondContact O-N 3.42Å |
| 97 | D | 98 | Very high | 97.5 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | -179.4 | -43.4 | -40.4 | 0 | 0 | 0 | 111 | Y93 K94 E100 K101 | Y93-D97 HydrophobicContact CD2-CB 3.44Å; Y93-D97 VanDerWaalsContact CD2-CB 3.44Å; Y93-D97 HydrophobicContact CE2-CB 4.03Å; Y93-D97 HydrophobicContact CG-CB 4.01Å; K94-D97 VanDerWaalsContact CB-OD2 3.25Å; K94-D97 WeakPolarHBondContact CB-OD2 3.2Å; K94-D97 PolarHBondContact N-OD2 2.82Å; K94-D97 VanDerWaalsContact N-OD2 3.15Å; K94-D97 PolarHBondContact O-N 2.72Å; K94-D97 VanDerWaalsContact O-N 3.1Å; D97-E100 PolarHBondContact O-N 2.88Å; D97-K101 WeakPolarHBondContact O-CG 3.13Å; D97-K101 PolarHBondContact O-N 3.33Å |
| 98 | V | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 174.2 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | F52 K94 K101 I102 F120 A131 I136 | F52-V98 HydrophobicContact CD1-CB 4.3Å; F52-V98 HydrophobicContact CD1-CG1 4.04Å; F52-V98 HydrophobicContact CD1-CG2 3.74Å; F52-V98 HydrophobicContact CD2-CG1 4.27Å; F52-V98 HydrophobicContact CE1-CB 4.09Å; F52-V98 HydrophobicContact CE1-CG1 3.93Å; F52-V98 HydrophobicContact CE1-CG2 3.94Å; F52-V98 HydrophobicContact CE2-CG1 4.16Å; F52-V98 HydrophobicContact CG-CG1 4.21Å; F52-V98 HydrophobicContact CG-CG2 4.44Å; F52-V98 HydrophobicContact CZ-CG1 3.99Å; K94-V98 WeakPolarHBondContact O-CG2 3.18Å; K94-V98 PolarHBondContact O-N 3.48Å; V98-K101 PolarHBondContact O-N 2.8Å; V98-I102 HydrophobicContact CG1-CD1 3.66Å; V98-I102 WeakPolarHBondContact O-CD1 3.4Å; V98-I102 VanDerWaalsContact O-CG1 3.23Å; V98-I102 WeakPolarHBondContact O-CG1 3.09Å; V98-I102 PolarHBondContact O-N 2.92Å; V98-F120 HydrophobicContact CG1-CE1 4.02Å; V98-F120 HydrophobicContact CG1-CZ 4.41Å; V98-A131 HydrophobicContact CG2-CB 4.09Å; V98-I136 HydrophobicContact CB-CD1 3.82Å; V98-I136 HydrophobicContact CG1-CD1 3.47Å; V98-I136 VanDerWaalsContact CG1-CD1 3.47Å |
| 99 | L | 97.4 | Very high | 97.2 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 179.1 | -72.7 | 177.7 | 0 | 0 | 0 | 112.1 | L95 V96 I102 H103 I136 M144 | L95-L99 HydrophobicContact CD2-CD1 3.68Å; L95-L99 HydrophobicContact CG-CD1 4.34Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 VanDerWaalsContact O-CG 3.3Å; L95-L99 WeakPolarHBondContact O-CG 3.34Å; L95-L99 PolarHBondContact O-N 2.93Å; V96-L99 PolarHBondContact O-N 3Å; L99-I102 PolarHBondContact O-N 3.49Å; L99-H103 WeakPolarHBondContact O-CB 3.42Å; L99-H103 PolarHBondContact O-N 3.19Å; L99-I136 HydrophobicContact CD2-CG2 3.87Å; L99-I136 HydrophobicContact CG-CD1 4.46Å; L99-M144 HydrophobicContact CD2-CE 4.43Å |
| 100 | E | 97.7 | Very high | 97.1 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.7 | -50 | 174.5 | -175.7 | 179.8 | -131.1 | 0 | 0 | 111.2 | V96 D97 I102 H103 E104 | V96-E100 WeakPolarHBondContact O-CB 3.44Å; V96-E100 PolarHBondContact O-N 3.42Å; D97-E100 PolarHBondContact O-N 2.88Å; E100-I102 VanDerWaalsContact C-N 3.3Å; E100-I102 PolarHBondContact O-N 2.67Å; E100-H103 WeakPolarHBondContact O-CB 3.42Å; E100-H103 PolarHBondContact O-N 3.1Å; E100-H103 VanDerWaalsContact O-N 3.1Å; E100-E104 WeakPolarHBondContact O-CG 3.32Å; E100-E104 PolarHBondContact O-N 3.33Å |
| 101 | K | 98.1 | Very high | 97 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 18% | 0.183 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -27.8 | 179.5 | -63.8 | -42.7 | 178.2 | -165.8 | 0 | 114.3 | F52 Y90 Y93 D97 V98 E104 A105 | F52-K101 HydrophobicContact CE1-CB 4.25Å; F52-K101 HydrophobicContact CZ-CB 3.93Å; Y90-K101 HydrophobicContact CE1-CG 4.04Å; Y90-K101 HydrophobicContact CE2-CB 4.12Å; Y90-K101 HydrophobicContact CE2-CG 4.31Å; Y93-K101 HydrophobicContact CE2-CG 4.06Å; D97-K101 WeakPolarHBondContact O-CG 3.13Å; D97-K101 PolarHBondContact O-N 3.33Å; V98-K101 PolarHBondContact O-N 2.8Å; K101-E104 WeakPolarHBondContact CD-OE2 3.44Å; K101-E104 IonicContact NZ-OE1 3.36Å; K101-E104 PolarHBondContact NZ-OE1 2.84Å; K101-E104 IonicContact NZ-OE2 3.55Å; K101-E104 PolarHBondContact NZ-OE2 3.22Å; K101-A105 WeakPolarHBondContact O-CB 3.19Å; K101-A105 PolarHBondContact O-N 3.04Å |
| 102 | I | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.7 | -37.5 | 171.5 | -66.8 | 167.3 | 0 | 0 | 0 | 111 | F52 V98 L99 E100 A105 A106 L118 F120 I141 M144 F145 | F52-I102 HydrophobicContact CE2-CD1 3.84Å; F52-I102 HydrophobicContact CE2-CG1 3.61Å; F52-I102 HydrophobicContact CZ-CD1 4.27Å; F52-I102 HydrophobicContact CZ-CG1 3.85Å; V98-I102 HydrophobicContact CG1-CD1 3.66Å; V98-I102 WeakPolarHBondContact O-CD1 3.4Å; V98-I102 VanDerWaalsContact O-CG1 3.23Å; V98-I102 WeakPolarHBondContact O-CG1 3.09Å; V98-I102 PolarHBondContact O-N 2.92Å; L99-I102 PolarHBondContact O-N 3.49Å; E100-I102 VanDerWaalsContact C-N 3.3Å; E100-I102 PolarHBondContact O-N 2.67Å; I102-A105 PolarHBondContact O-N 2.82Å; I102-A106 WeakPolarHBondContact O-CB 3.23Å; I102-A106 PolarHBondContact O-N 2.88Å; I102-L118 HydrophobicContact CD1-CD2 4.33Å; I102-L118 HydrophobicContact CG1-CD2 4.47Å; I102-F120 HydrophobicContact CD1-CZ 3.81Å; I102-I141 HydrophobicContact CD1-CD1 4.3Å; I102-I141 HydrophobicContact CD1-CG1 4.17Å; I102-I141 HydrophobicContact CD1-CG2 4.22Å; I102-I141 HydrophobicContact CG2-CG2 4.15Å; I102-M144 HydrophobicContact CB-CE 4.3Å; I102-M144 HydrophobicContact CG2-CE 3.4Å; I102-M144 VanDerWaalsContact CG2-CE 3.4Å; I102-M144 HydrophobicContact CG2-SD 4.31Å; I102-F145 HydrophobicContact CG2-CE2 3.68Å; I102-F145 HydrophobicContact CG2-CZ 3.92Å |
| 103 | H | 96.5 | Very high | 96.9 | Very high | 92 Ų | 92 | 56.1 Ų | 56.1 | 43% | 0.426 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -48.9 | 176.8 | -163.2 | -83.3 | 0 | 0 | 0 | 111.4 | L99 E100 A105 A106 E107 | L99-H103 WeakPolarHBondContact O-CB 3.42Å; L99-H103 PolarHBondContact O-N 3.19Å; E100-H103 WeakPolarHBondContact O-CB 3.42Å; E100-H103 PolarHBondContact O-N 3.1Å; E100-H103 VanDerWaalsContact O-N 3.1Å; H103-A105 VanDerWaalsContact C-N 3.28Å; H103-A105 PolarHBondContact O-N 3.33Å; H103-A106 PolarHBondContact O-N 2.89Å; H103-E107 IonicContact CE1-OE1 2.77Å; H103-E107 PolarHBondContact CE1-OE1 2.74Å; H103-E107 VanDerWaalsContact CE1-OE1 3.27Å; H103-E107 IonicContact CE1-OE2 3.59Å; H103-E107 PolarHBondContact CE1-OE2 2.92Å; H103-E107 VanDerWaalsContact ND1-CD 3.33Å; H103-E107 IonicContact ND1-OE1 3.35Å; H103-E107 IonicContact ND1-OE2 3.65Å; H103-E107 PolarHBondContact ND1-OE2 2.84Å; H103-E107 PolarHBondContact O-N 3.06Å |
| 104 | E | 97.1 | Very high | 96.9 | Very high | 75 Ų | 75 | 52.6 Ų | 52.6 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -49.3 | -50.7 | 171.8 | -74.5 | 174.7 | -168.7 | 0 | 0 | 110.8 | E100 K101 A106 E107 D108 | E100-E104 WeakPolarHBondContact O-CG 3.32Å; E100-E104 PolarHBondContact O-N 3.33Å; K101-E104 WeakPolarHBondContact CD-OE2 3.44Å; K101-E104 IonicContact NZ-OE1 3.36Å; K101-E104 PolarHBondContact NZ-OE1 2.84Å; K101-E104 IonicContact NZ-OE2 3.55Å; K101-E104 PolarHBondContact NZ-OE2 3.22Å; E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 3.42Å; E104-E107 PolarHBondContact O-N 3.13Å; E104-D108 PolarHBondContact O-N 2.84Å |
| 105 | A | 96.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.5 | -19.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L50 K101 I102 H103 H110 F116 | L50-A105 HydrophobicContact CD1-CB 3.7Å; L50-A105 HydrophobicContact CG-CB 4.44Å; K101-A105 WeakPolarHBondContact O-CB 3.19Å; K101-A105 PolarHBondContact O-N 3.04Å; I102-A105 PolarHBondContact O-N 2.82Å; H103-A105 VanDerWaalsContact C-N 3.28Å; H103-A105 PolarHBondContact O-N 3.33Å; A105-H110 PolarHBondContact O-CE1 3.48Å; A105-H110 PolarHBondContact O-NE2 2.76Å; A105-F116 HydrophobicContact CB-CE2 4.15Å |
| 106 | A | 94.9 | Very high | 97 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -82.8 | -29.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I102 H103 E104 M144 F145 C150 | I102-A106 WeakPolarHBondContact O-CB 3.23Å; I102-A106 PolarHBondContact O-N 2.88Å; H103-A106 PolarHBondContact O-N 2.89Å; E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 3.42Å; A106-M144 HydrophobicContact CB-CB 3.99Å; A106-F145 HydrophobicContact CB-CD1 4.3Å; A106-F145 HydrophobicContact CB-CE1 3.87Å; A106-F145 HydrophobicContact CB-CZ 4.05Å; A106-C150 PolarHBondContact O-SG 3.1Å |
| 107 | E | 95.4 | Very high | 97 | Very high | 143 Ų | 143 | 41.2 Ų | 41.2 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -86.3 | -22 | 176.1 | -66.4 | -172.6 | 129.1 | 0 | 0 | 113.6 | H103 E104 | H103-E107 IonicContact CE1-OE1 2.77Å; H103-E107 PolarHBondContact CE1-OE1 2.74Å; H103-E107 VanDerWaalsContact CE1-OE1 3.27Å; H103-E107 IonicContact CE1-OE2 3.59Å; H103-E107 PolarHBondContact CE1-OE2 2.92Å; H103-E107 VanDerWaalsContact ND1-CD 3.33Å; H103-E107 IonicContact ND1-OE1 3.35Å; H103-E107 IonicContact ND1-OE2 3.65Å; H103-E107 PolarHBondContact ND1-OE2 2.84Å; H103-E107 PolarHBondContact O-N 3.06Å; E104-E107 PolarHBondContact O-N 3.13Å |
| 108 | D | 95 | Very high | 97 | Very high | 63 Ų | 63 | 38.7 Ų | 38.7 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -51.8 | 146.8 | 175.8 | -104.1 | -10.3 | 0 | 0 | 0 | 113.4 | R88 E104 H110 S152 | R88-D108 IonicContact NH1-OD2 3.66Å; E104-D108 PolarHBondContact O-N 2.84Å; D108-H110 PolarHBondContact O-CD2 2.89Å; D108-H110 PolarHBondContact O-N 3.02Å; D108-H110 PolarHBondContact O-NE2 2.83Å; D108-S152 PolarHBondContact O-OG 2.82Å |
| 109 | D | 95.8 | Very high | 97 | Very high | 102 Ų | 102 | 38.7 Ų | 38.7 | 55% | 0.545 | 20% | 0.197 | S | C | . | . | trans | -78.9 | 105.4 | 172.7 | -174 | 22.4 | 0 | 0 | 0 | 111.7 | R45 S111 | R45-D109 PolarHBondContact NH2-O 3.06Å; D109-S111 WeakPolarHBondContact OD1-CB 3.41Å; D109-S111 PolarHBondContact OD1-N 2.95Å; D109-S111 PolarHBondContact OD1-OG 2.97Å | ||
| 110 | H | 96.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -89.8 | 7.2 | 173.5 | -59.4 | -74.5 | 0 | 0 | 0 | 113.5 | A105 D108 D112 A113 S152 L153 K156 | A105-H110 PolarHBondContact O-CE1 3.48Å; A105-H110 PolarHBondContact O-NE2 2.76Å; D108-H110 PolarHBondContact O-CD2 2.89Å; D108-H110 PolarHBondContact O-N 3.02Å; D108-H110 PolarHBondContact O-NE2 2.83Å; H110-D112 VanDerWaalsContact C-N 3.25Å; H110-D112 PolarHBondContact O-N 2.86Å; H110-D112 VanDerWaalsContact O-N 3.15Å; H110-A113 HydrophobicContact CB-CB 4.3Å; H110-A113 WeakPolarHBondContact O-CB 3.17Å; H110-A113 PolarHBondContact O-N 2.84Å; H110-S152 PolarHBondContact N-OG 3.4Å; H110-L153 HydrophobicContact CB-CD2 3.47Å; H110-L153 VanDerWaalsContact CB-CD2 3.47Å; H110-L153 HydrophobicContact CB-CG 3.79Å; H110-K156 PolarHBondContact O-NZ 2.89Å | ||
| 111 | S | 95.4 | Very high | 97 | Very high | 60 Ų | 60 | 31 Ų | 31 | 42% | 0.42 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -39.2 | -171.8 | -67.1 | 0 | 0 | 0 | 0 | 113.5 | R43 D109 K156 | R43-S111 PolarHBondContact NH1-O 2.69Å; D109-S111 WeakPolarHBondContact OD1-CB 3.41Å; D109-S111 PolarHBondContact OD1-N 2.95Å; D109-S111 PolarHBondContact OD1-OG 2.97Å; S111-K156 PolarHBondContact O-NZ 2.78Å |
| 112 | D | 96.4 | Very high | 96.8 | Very high | 48 Ų | 48 | 29 Ų | 29 | 26% | 0.257 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 1.1 | 177.5 | 79.6 | -37.9 | 0 | 0 | 0 | 114.8 | R43 K44 R45 H110 | R43-D112 VanDerWaalsContact CB-O 3.24Å; R43-D112 WeakPolarHBondContact CB-O 3.35Å; K44-D112 HydrophobicContact CB-CB 4.1Å; K44-D112 PolarHBondContact N-O 3.02Å; K44-D112 VanDerWaalsContact N-O 3.1Å; R45-D112 IonicContact CZ-OD1 3.12Å; R45-D112 VanDerWaalsContact CZ-OD1 3.22Å; R45-D112 PolarHBondContact N-O 2.75Å; R45-D112 VanDerWaalsContact NE-CG 3.33Å; R45-D112 IonicContact NE-OD1 2.76Å; R45-D112 PolarHBondContact NE-OD1 3.27Å; R45-D112 IonicContact NE-OD2 3.29Å; R45-D112 PolarHBondContact NE-OD2 2.69Å; R45-D112 IonicContact NH2-OD1 2.91Å; R45-D112 PolarHBondContact NH2-OD1 3.27Å; H110-D112 VanDerWaalsContact C-N 3.25Å; H110-D112 PolarHBondContact O-N 2.86Å; H110-D112 VanDerWaalsContact O-N 3.15Å |
| 113 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -94.9 | 143.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R43 R45 H110 K156 | R43-A113 WeakPolarHBondContact CD-O 3.19Å; R45-A113 HydrophobicContact CB-CB 4.43Å; R45-A113 WeakPolarHBondContact O-CA 3.45Å; H110-A113 HydrophobicContact CB-CB 4.3Å; H110-A113 WeakPolarHBondContact O-CB 3.17Å; H110-A113 PolarHBondContact O-N 2.84Å; A113-K156 WeakPolarHBondContact O-CD 3.44Å; A113-K156 WeakPolarHBondContact O-CE 3.09Å; A113-K156 PolarHBondContact O-NZ 2.88Å |
| 114 | D | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -70 | -45.4 | 176.2 | -55.4 | -44.3 | 0 | 0 | 0 | 112.7 | M41 T42 R43 R45 R46 K156 K288 | M41-D114 VanDerWaalsContact C-CG 3.44Å; M41-D114 WeakPolarHBondContact CA-OD1 3.28Å; M41-D114 HydrophobicContact CE-CB 3.79Å; M41-D114 HydrophobicContact SD-CB 3.76Å; T42-D114 PolarHBondContact N-OD1 2.76Å; T42-D114 VanDerWaalsContact N-OD1 3.16Å; R43-D114 WeakPolarHBondContact CA-OD1 3.43Å; R43-D114 VanDerWaalsContact CB-OD1 3.28Å; R43-D114 WeakPolarHBondContact CB-OD1 3.23Å; R43-D114 PolarHBondContact N-OD1 3.32Å; R45-D114 PolarHBondContact O-N 2.91Å; R46-D114 WeakPolarHBondContact CA-OD2 3.48Å; R46-D114 IonicContact CZ-OD2 3.54Å; R46-D114 IonicContact NE-OD2 2.69Å; R46-D114 IonicContact NH1-OD2 2.61Å; R46-D114 PolarHBondContact NH1-OD2 3.13Å; R46-D114 WeakPolarHBondContact O-CA 3.17Å; R46-D114 VanDerWaalsContact O-CB 3.28Å; R46-D114 WeakPolarHBondContact O-CB 3.3Å; R46-D114 PolarHBondContact O-N 2.88Å; D114-K156 WeakPolarHBondContact O-CB 3.28Å; D114-K288 IonicContact OD1-NZ 3.85Å; D114-K288 IonicContact OD2-NZ 3.9Å; D114-K288 PolarHBondContact OD2-NZ 2.7Å |
| 115 | C | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -151.3 | -179.5 | -172.2 | 62 | 0 | 0 | 0 | 0 | 112.2 | M41 R46 G47 F85 P157 | M41-C115 HydrophobicContact CE-CB 4.42Å; R46-C115 PolarHBondContact O-N 2.94Å; R46-C115 PolarHBondContact O-SG 3.27Å; G47-C115 WeakPolarHBondContact CA-O 3.15Å; F85-C115 VanDerWaalsContact CE1-SG 3.54Å; C115-P157 WeakPolarHBondContact CA-O 3.16Å; C115-P157 HydrophobicContact CB-CB 3.91Å; C115-P157 HydrophobicContact CB-CG 4.09Å; C115-P157 VanDerWaalsContact CB-O 3.28Å; C115-P157 WeakPolarHBondContact CB-O 3.41Å | ||
| 116 | F | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.8 | 170.9 | 171.7 | -101.3 | 0 | 0 | 0 | 110.4 | V48 L50 A105 L118 F145 L153 P157 I159 F160 | V48-F116 HydrophobicContact CB-CD2 4.48Å; L50-F116 HydrophobicContact CD1-CE2 4.49Å; L50-F116 HydrophobicContact CD1-CZ 4.36Å; L50-F116 HydrophobicContact CG-CE2 4.29Å; L50-F116 HydrophobicContact CG-CZ 4.43Å; A105-F116 HydrophobicContact CB-CE2 4.15Å; F116-L118 HydrophobicContact CE1-CB 3.77Å; F116-L118 HydrophobicContact CZ-CB 3.97Å; F116-F145 HydrophobicContact CD1-CD1 4Å; F116-F145 AromaticContact CD1-CE1 3.98Å; F116-F145 HydrophobicContact CD1-CE1 3.98Å; F116-F145 HydrophobicContact CD1-CG 4.46Å; F116-F145 HydrophobicContact CD1-CZ 4.43Å; F116-F145 HydrophobicContact CD2-CE1 4.38Å; F116-F145 AromaticContact CE1-CD1 3.9Å; F116-F145 HydrophobicContact CE1-CD1 3.9Å; F116-F145 HydrophobicContact CE1-CD2 4.28Å; F116-F145 AromaticContact CE1-CE1 3.52Å; F116-F145 HydrophobicContact CE1-CE1 3.52Å; F116-F145 AromaticContact CE1-CE2 3.93Å; F116-F145 HydrophobicContact CE1-CE2 3.93Å; F116-F145 HydrophobicContact CE1-CG 4.26Å; F116-F145 AromaticContact CE1-CZ 3.55Å; F116-F145 HydrophobicContact CE1-CZ 3.55Å; F116-F145 AromaticContact CE2-CE1 3.97Å; F116-F145 HydrophobicContact CE2-CE1 3.97Å; F116-F145 HydrophobicContact CE2-CZ 4.24Å; F116-F145 HydrophobicContact CG-CE1 4.39Å; F116-F145 HydrophobicContact CZ-CD1 4.34Å; F116-F145 AromaticContact CZ-CE1 3.51Å; F116-F145 HydrophobicContact CZ-CE1 3.51Å; F116-F145 HydrophobicContact CZ-CE2 4.19Å; F116-F145 AromaticContact CZ-CZ 3.43Å; F116-F145 HydrophobicContact CZ-CZ 3.43Å; F116-F145 VanDerWaalsContact CZ-CZ 3.43Å; F116-L153 HydrophobicContact CB-CD1 3.71Å; F116-L153 HydrophobicContact CB-CD2 3.97Å; F116-L153 HydrophobicContact CG-CD1 4.13Å; F116-P157 PolarHBondContact N-O 3.44Å; F116-I159 PolarHBondContact O-N 3.14Å; F116-F160 HydrophobicContact CE1-CZ 4.31Å |
| 117 | L | 98.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.2 | 175.6 | -171.8 | 153.3 | 0 | 0 | 0 | 111.6 | V48 A49 L50 L80 F85 A119 I159 I161 | V48-L117 PolarHBondContact O-N 3.31Å; A49-L117 CarbonylContact C-O 3.05Å; A49-L117 VanDerWaalsContact CA-O 3.32Å; A49-L117 WeakPolarHBondContact CA-O 3.25Å; A49-L117 HydrophobicContact CB-CB 4.18Å; A49-L117 HydrophobicContact CB-CD2 4.08Å; L50-L117 PolarHBondContact N-O 3.46Å; L80-L117 HydrophobicContact CD1-CD1 4.17Å; L80-L117 HydrophobicContact CD1-CD2 3.78Å; L80-L117 HydrophobicContact CD2-CD1 3.74Å; F85-L117 HydrophobicContact CD1-CB 4.44Å; F85-L117 HydrophobicContact CE1-CB 3.93Å; F85-L117 HydrophobicContact CE1-CD1 4.43Å; F85-L117 HydrophobicContact CZ-CD1 4.27Å; L117-A119 HydrophobicContact CD2-CB 4.31Å; L117-I159 CarbonylContact C-O 3.54Å; L117-I159 VanDerWaalsContact CA-O 3.3Å; L117-I159 WeakPolarHBondContact CA-O 3.45Å; L117-I159 HydrophobicContact CB-CB 4.34Å; L117-I159 HydrophobicContact CD1-CB 4.35Å; L117-I159 HydrophobicContact CD1-CG2 4.02Å; L117-I159 HydrophobicContact CG-CB 4.18Å; L117-I159 HydrophobicContact CG-CG2 4.14Å; L117-I161 HydrophobicContact CD1-CD1 4.04Å; L117-I161 HydrophobicContact CD2-CD1 4.32Å; L117-I161 HydrophobicContact CG-CD1 4.42Å |
| 118 | L | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 127.3 | 171.4 | 175.6 | 59.9 | 0 | 0 | 0 | 110 | L50 F52 I102 F116 F120 I141 I159 F160 I161 | L50-L118 HydrophobicContact CB-CD1 3.65Å; L50-L118 HydrophobicContact CD1-CD1 4.32Å; L50-L118 CarbonylContact O-C 3.32Å; F52-L118 HydrophobicContact CD2-CD1 3.61Å; F52-L118 HydrophobicContact CE2-CD1 3.52Å; I102-L118 HydrophobicContact CD1-CD2 4.33Å; I102-L118 HydrophobicContact CG1-CD2 4.47Å; F116-L118 HydrophobicContact CE1-CB 3.77Å; F116-L118 HydrophobicContact CZ-CB 3.97Å; L118-F120 HydrophobicContact CD1-CE2 4.13Å; L118-F120 HydrophobicContact CD1-CZ 4.32Å; L118-F120 HydrophobicContact CD2-CD2 4.41Å; L118-F120 HydrophobicContact CD2-CE2 3.51Å; L118-F120 HydrophobicContact CD2-CZ 4.05Å; L118-F120 HydrophobicContact CG-CD2 4.24Å; L118-F120 HydrophobicContact CG-CE2 3.75Å; L118-F120 HydrophobicContact CG-CZ 4.39Å; L118-I141 HydrophobicContact CD2-CG2 3.5Å; L118-I141 VanDerWaalsContact CD2-CG2 3.5Å; L118-I159 PolarHBondContact N-O 2.92Å; L118-F160 HydrophobicContact CB-CD1 4Å; L118-F160 HydrophobicContact CB-CE1 4.04Å; L118-F160 HydrophobicContact CD2-CD1 3.86Å; L118-F160 HydrophobicContact CD2-CE1 3.56Å; L118-F160 HydrophobicContact CG-CD1 4.25Å; L118-F160 HydrophobicContact CG-CE1 4.3Å; L118-F160 CarbonylContact O-C 3.58Å; L118-F160 VanDerWaalsContact O-CA 3.28Å; L118-F160 WeakPolarHBondContact O-CA 3.34Å; L118-I161 PolarHBondContact O-N 2.85Å |
| 119 | A | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L50 I51 F52 L76 L117 I161 | L50-A119 PolarHBondContact O-N 3.1Å; I51-A119 HydrophobicContact CB-CB 4.5Å; I51-A119 HydrophobicContact CG1-CB 4.19Å; I51-A119 HydrophobicContact CG2-CB 4.36Å; F52-A119 PolarHBondContact N-O 3.2Å; L76-A119 HydrophobicContact CD2-CB 3.71Å; L117-A119 HydrophobicContact CD2-CB 4.31Å; A119-I161 CarbonylContact C-O 3.6Å; A119-I161 VanDerWaalsContact CA-O 3.25Å; A119-I161 WeakPolarHBondContact CA-O 3.36Å; A119-I161 HydrophobicContact CB-CB 4.13Å |
| 120 | F | 97.5 | Very high | 92.8 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.3 | 168.5 | -74.1 | -78.8 | 0 | 0 | 0 | 109.9 | F52 V98 I102 L118 V129 I141 I161 Q163 | F52-F120 HydrophobicContact CB-CD1 3.73Å; F52-F120 HydrophobicContact CB-CE1 3.87Å; F52-F120 HydrophobicContact CD2-CD1 4.14Å; F52-F120 AromaticContact CD2-CE1 3.57Å; F52-F120 HydrophobicContact CD2-CE1 3.57Å; F52-F120 AromaticContact CD2-CZ 3.91Å; F52-F120 HydrophobicContact CD2-CZ 3.91Å; F52-F120 HydrophobicContact CE2-CE1 4.41Å; F52-F120 HydrophobicContact CE2-CZ 4.42Å; F52-F120 HydrophobicContact CG-CD1 4.28Å; F52-F120 AromaticContact CG-CE1 3.92Å; F52-F120 HydrophobicContact CG-CE1 3.92Å; V98-F120 HydrophobicContact CG1-CE1 4.02Å; V98-F120 HydrophobicContact CG1-CZ 4.41Å; I102-F120 HydrophobicContact CD1-CZ 3.81Å; L118-F120 HydrophobicContact CD1-CE2 4.13Å; L118-F120 HydrophobicContact CD1-CZ 4.32Å; L118-F120 HydrophobicContact CD2-CD2 4.41Å; L118-F120 HydrophobicContact CD2-CE2 3.51Å; L118-F120 HydrophobicContact CD2-CZ 4.05Å; L118-F120 HydrophobicContact CG-CD2 4.24Å; L118-F120 HydrophobicContact CG-CE2 3.75Å; L118-F120 HydrophobicContact CG-CZ 4.39Å; F120-V129 HydrophobicContact CB-CG1 4.22Å; F120-V129 HydrophobicContact CD1-CB 4.44Å; F120-V129 HydrophobicContact CD1-CG2 3.83Å; F120-V129 HydrophobicContact CD2-CG2 4.34Å; F120-V129 HydrophobicContact CE1-CG2 3.94Å; F120-V129 HydrophobicContact CE2-CG2 4.41Å; F120-V129 HydrophobicContact CG-CB 4.47Å; F120-V129 HydrophobicContact CG-CG1 4.33Å; F120-V129 HydrophobicContact CG-CG2 4.04Å; F120-V129 HydrophobicContact CZ-CG2 4.23Å; F120-I141 HydrophobicContact CE2-CD1 3.74Å; F120-I141 HydrophobicContact CZ-CD1 3.55Å; F120-I161 PolarHBondContact N-O 2.87Å; F120-Q163 CarbonylContact O-C 3.47Å; F120-Q163 PolarHBondContact O-N 2.72Å |
| 121 | L | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 92.6 | 170.6 | -45 | 176.8 | 0 | 0 | 0 | 106.7 | I51 F52 N53 Q54 R66 T69 D72 R73 Q163 I226 | I51-L121 HydrophobicContact CG2-CD1 4.07Å; I51-L121 HydrophobicContact CG2-CG 4.38Å; F52-L121 PolarHBondContact O-N 2.95Å; N53-L121 HydrophobicContact CB-CD1 4.43Å; Q54-L121 PolarHBondContact N-O 3Å; R66-L121 VanDerWaalsContact NH1-C 3.3Å; R66-L121 PolarHBondContact NH1-O 3.48Å; T69-L121 WeakPolarHBondContact OG1-CB 3.19Å; D72-L121 HydrophobicContact CB-CD1 3.87Å; R73-L121 HydrophobicContact CB-CD1 4.07Å; L121-Q163 HydrophobicContact CD2-CB 3.73Å; L121-Q163 HydrophobicContact CD2-CG 4.32Å; L121-I226 HydrophobicContact CD2-CD1 3.95Å; L121-I226 HydrophobicContact CD2-CG1 4.01Å |
| 122 | S | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -155.9 | -178.2 | -172.2 | -164.2 | 0 | 0 | 0 | 0 | 112.8 | Q54 F57 R66 Y130 Q163 A164 | Q54-S122 WeakPolarHBondContact CB-OG 3.46Å; F57-S122 WeakPolarHBondContact CE1-OG 3.06Å; R66-S122 PolarHBondContact NE-O 2.57Å; S122-Y130 WeakPolarHBondContact CB-O 3.5Å; S122-Y130 PolarHBondContact OG-O 2.88Å; S122-Q163 PolarHBondContact N-O 3.46Å; S122-A164 WeakPolarHBondContact O-CA 3.3Å |
| 123 | H | 89.9 | Confident | 92.8 | Very high | 15 Ų | 15 | 18.9 Ų | 18.9 | 7% | 0.069 | 9% | 0.091 | C | C | . | . | trans | -74 | 159.8 | 158 | -70.8 | -54.2 | 0 | 0 | 0 | 110.1 | F57 L63 N64 R66 Y130 D190 | F57-H123 AromaticContact CD2-CD2 3.81Å; F57-H123 AromaticContact CE2-CD2 3.33Å; F57-H123 WeakPolarHBondContact CE2-CD2 3.2Å; F57-H123 AromaticContact CE2-NE2 3.86Å; F57-H123 HydrophobicContact CZ-CB 4.44Å; F57-H123 AromaticContact CZ-CD2 3.6Å; L63-H123 HydrophobicContact CD1-CB 4.18Å; L63-H123 HydrophobicContact CD2-CB 4.37Å; N64-H123 PolarHBondContact O-NE2 2.72Å; R66-H123 WeakPolarHBondContact CG-NE2 3.49Å; H123-Y130 HydrophobicContact CB-CD2 3.95Å; H123-Y130 HydrophobicContact CB-CG 4.42Å; H123-Y130 PolarHBondContact O-N 3.18Å; H123-D190 IonicContact CE1-OD1 3.49Å | ||
| 124 | G | 84.3 | Confident | 92.6 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 154 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H128 | G124-H128 CarbonylContact C-O 3.52Å; G124-H128 WeakPolarHBondContact CA-O 3.32Å |
| 125 | E | 78.6 | Confident | 92.3 | Very high | 61 Ų | 61 | 23.4 Ų | 23.4 | 29% | 0.285 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 117 | -175.2 | -175.6 | -131.3 | 126.3 | 0 | 0 | 111.2 | H128 Y130 K135 A193 | E125-H128 PolarHBondContact N-O 3.48Å; E125-H128 WeakPolarHBondContact O-CB 3.36Å; E125-H128 PolarHBondContact O-N 3.27Å; E125-H128 PolarHBondContact O-ND1 2.95Å; E125-Y130 HydrophobicContact CB-CE2 3.81Å; E125-Y130 PolarHBondContact OE2-OH 2.88Å; E125-K135 IonicContact OE1-NZ 3.53Å; E125-K135 PolarHBondContact OE1-NZ 2.78Å; E125-K135 IonicContact OE2-NZ 2.93Å; E125-K135 PolarHBondContact OE2-NZ 3.32Å; E125-A193 CarbonylContact C-O 2.95Å; E125-A193 VanDerWaalsContact C-O 3.32Å; E125-A193 WeakPolarHBondContact CA-O 3.37Å |
| 126 | N | 75.7 | Confident | 92.1 | Very high | 72 Ų | 72 | 23.8 Ų | 23.8 | 39% | 0.385 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | -142.4 | -164.6 | -56.5 | -67.8 | 0 | 0 | 0 | 109.9 | H128 A193 I194 | N126-H128 PolarHBondContact O-N 3.02Å; N126-A193 CarbonylContact C-O 3.46Å; N126-A193 WeakPolarHBondContact CA-O 3.36Å; N126-A193 VanDerWaalsContact N-C 3.34Å; N126-A193 PolarHBondContact N-O 3.37Å; N126-I194 VanDerWaalsContact O-CA 3.23Å; N126-I194 WeakPolarHBondContact O-CA 3.38Å; N126-I194 WeakPolarHBondContact O-CB 3.46Å; N126-I194 WeakPolarHBondContact O-CG1 3.13Å |
| 127 | D | 79.4 | Confident | 91.8 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 27.3 | -178.6 | -66.2 | -16.4 | 0 | 0 | 0 | 114.9 | N137 I138 Q139 H195 L197 | D127-N137 CarbonylContact O-C 3.59Å; D127-N137 WeakPolarHBondContact O-CA 3.36Å; D127-N137 PolarHBondContact O-OD1 2.84Å; D127-I138 WeakPolarHBondContact O-CG1 3.11Å; D127-I138 PolarHBondContact O-N 3.18Å; D127-Q139 PolarHBondContact OD2-NE2 2.8Å; D127-H195 WeakPolarHBondContact OD1-CB 3.45Å; D127-H195 IonicContact OD1-CD2 3.29Å; D127-H195 PolarHBondContact OD1-CD2 3.15Å; D127-H195 IonicContact OD1-CG 3.89Å; D127-H195 PolarHBondContact OD1-N 3.29Å; D127-H195 IonicContact OD2-CD2 3.55Å; D127-L197 HydrophobicContact CB-CD1 4.27Å |
| 128 | H | 88.5 | Confident | 91.4 | Very high | 43 Ų | 43 | 25.1 Ų | 25.1 | 20% | 0.199 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.8 | -174.1 | -46.3 | 76.3 | 0 | 0 | 0 | 113.5 | G124 E125 N126 K135 I136 N137 | G124-H128 CarbonylContact C-O 3.52Å; G124-H128 WeakPolarHBondContact CA-O 3.32Å; E125-H128 PolarHBondContact N-O 3.48Å; E125-H128 WeakPolarHBondContact O-CB 3.36Å; E125-H128 PolarHBondContact O-N 3.27Å; E125-H128 PolarHBondContact O-ND1 2.95Å; N126-H128 PolarHBondContact O-N 3.02Å; H128-K135 HydrophobicContact CB-CB 3.97Å; H128-K135 HydrophobicContact CB-CD 4.03Å; H128-K135 HydrophobicContact CB-CG 4.19Å; H128-I136 CarbonylContact C-O 3.58Å; H128-I136 WeakPolarHBondContact CA-O 3.42Å; H128-I136 WeakPolarHBondContact CB-O 3.27Å; H128-N137 PolarHBondContact NE2-ND2 2.88Å; H128-N137 VanDerWaalsContact NE2-ND2 3.18Å |
| 129 | V | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.2 | 163.6 | -66.9 | 0 | 0 | 0 | 0 | 109.4 | F120 K135 I136 I138 I141 V162 A164 | F120-V129 HydrophobicContact CB-CG1 4.22Å; F120-V129 HydrophobicContact CD1-CB 4.44Å; F120-V129 HydrophobicContact CD1-CG2 3.83Å; F120-V129 HydrophobicContact CD2-CG2 4.34Å; F120-V129 HydrophobicContact CE1-CG2 3.94Å; F120-V129 HydrophobicContact CE2-CG2 4.41Å; F120-V129 HydrophobicContact CG-CB 4.47Å; F120-V129 HydrophobicContact CG-CG1 4.33Å; F120-V129 HydrophobicContact CG-CG2 4.04Å; F120-V129 HydrophobicContact CZ-CG2 4.23Å; V129-K135 WeakPolarHBondContact O-CA 3.28Å; V129-I136 HydrophobicContact CG2-CB 4.47Å; V129-I136 PolarHBondContact N-O 2.72Å; V129-I136 PolarHBondContact O-N 3Å; V129-I138 HydrophobicContact CG1-CD1 4.07Å; V129-I138 HydrophobicContact CG1-CG1 4.19Å; V129-I141 HydrophobicContact CG2-CD1 4.45Å; V129-V162 HydrophobicContact CG1-CG1 4.06Å; V129-A164 HydrophobicContact CG1-CB 3.9Å |
| 130 | Y | 94.4 | Very high | 90.5 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 13% | 0.125 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 133.5 | 174.5 | -79.4 | -89 | 0 | 0 | 0 | 111.2 | L61 L63 S122 H123 E125 K135 | L61-Y130 HydrophobicContact CD1-CD1 4.11Å; L61-Y130 HydrophobicContact CD1-CE1 4.45Å; L63-Y130 HydrophobicContact CD1-CD1 3.53Å; L63-Y130 HydrophobicContact CD1-CD2 3.97Å; L63-Y130 HydrophobicContact CD1-CE1 3.88Å; L63-Y130 HydrophobicContact CD1-CE2 4.31Å; L63-Y130 HydrophobicContact CD1-CG 3.57Å; S122-Y130 WeakPolarHBondContact CB-O 3.5Å; S122-Y130 PolarHBondContact OG-O 2.88Å; H123-Y130 HydrophobicContact CB-CD2 3.95Å; H123-Y130 HydrophobicContact CB-CG 4.42Å; H123-Y130 PolarHBondContact O-N 3.18Å; E125-Y130 HydrophobicContact CB-CE2 3.81Å; E125-Y130 PolarHBondContact OE2-OH 2.88Å; Y130-K135 HydrophobicContact CD1-CB 4.04Å; Y130-K135 HydrophobicContact CE1-CB 3.94Å; Y130-K135 HydrophobicContact CG-CB 4.41Å |
| 131 | A | 96.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | trans | -92 | -176.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L95 V98 D133 G134 I136 | L95-A131 HydrophobicContact CB-CB 4.17Å; V98-A131 HydrophobicContact CG2-CB 4.09Å; A131-D133 VanDerWaalsContact C-N 3.33Å; A131-D133 PolarHBondContact O-N 2.87Å; A131-G134 PolarHBondContact N-O 2.88Å; A131-I136 HydrophobicContact CB-CD1 3.99Å | ||
| 132 | Y | 96.3 | Very high | 89.9 | Confident | 74 Ų | 74 | 33.8 Ų | 33.8 | 29% | 0.29 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -55.7 | -43 | -177 | 178.7 | -93.3 | 0 | 0 | 0 | 113.6 | Q54 R56 F58 L61 D92 Y93 K94 | Q54-Y132 VanDerWaalsContact OE1-N 3.15Å; R56-Y132 HydrophobicContact CB-CE2 4.37Å; R56-Y132 VanDerWaalsContact O-CD2 3.31Å; R56-Y132 WeakPolarHBondContact O-CD2 3.45Å; F58-Y132 HydrophobicContact CB-CD1 4.24Å; F58-Y132 HydrophobicContact CB-CE1 3.91Å; F58-Y132 VanDerWaalsContact CB-O 3.3Å; F58-Y132 WeakPolarHBondContact CB-O 3.2Å; F58-Y132 HydrophobicContact CD2-CE1 4.41Å; F58-Y132 PolarHBondContact N-O 2.6Å; L61-Y132 WeakPolarHBondContact CD1-O 3.4Å; D92-Y132 HydrophobicContact CB-CD2 4.22Å; D92-Y132 WeakPolarHBondContact O-CB 3.25Å; Y93-Y132 WeakPolarHBondContact O-CB 3.46Å; Y93-Y132 PolarHBondContact O-N 2.81Å; K94-Y132 HydrophobicContact CG-CD1 4.22Å |
| 133 | D | 95.6 | Very high | 89.7 | Confident | 63 Ų | 63 | 34.7 Ų | 34.7 | 34% | 0.337 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -118.4 | 0.5 | -171 | 58.6 | -7.8 | 0 | 0 | 0 | 115.6 | F58 K94 L95 A131 | F58-D133 HydrophobicContact CB-CB 4.29Å; K94-D133 WeakPolarHBondContact CA-OD1 3.41Å; K94-D133 WeakPolarHBondContact CB-OD1 3.43Å; K94-D133 WeakPolarHBondContact CB-OD2 3.39Å; L95-D133 WeakPolarHBondContact CB-OD1 3.4Å; L95-D133 PolarHBondContact N-OD1 2.92Å; A131-D133 VanDerWaalsContact C-N 3.33Å; A131-D133 PolarHBondContact O-N 2.87Å |
| 134 | G | 93.5 | Very high | 89.8 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -168.8 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A131 | A131-G134 PolarHBondContact N-O 2.88Š|
| 135 | K | 92.7 | Very high | 90.1 | Very high | 83 Ų | 83 | 35.2 Ų | 35.2 | 36% | 0.361 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 141.7 | 178.5 | 68.9 | -178.8 | 175.7 | -175.5 | 0 | 112.2 | L95 E125 H128 V129 Y130 | L95-K135 WeakPolarHBondContact CD1-O 3.34Å; E125-K135 IonicContact OE1-NZ 3.53Å; E125-K135 PolarHBondContact OE1-NZ 2.78Å; E125-K135 IonicContact OE2-NZ 2.93Å; E125-K135 PolarHBondContact OE2-NZ 3.32Å; H128-K135 HydrophobicContact CB-CB 3.97Å; H128-K135 HydrophobicContact CB-CD 4.03Å; H128-K135 HydrophobicContact CB-CG 4.19Å; V129-K135 WeakPolarHBondContact O-CA 3.28Å; Y130-K135 HydrophobicContact CD1-CB 4.04Å; Y130-K135 HydrophobicContact CE1-CB 3.94Å; Y130-K135 HydrophobicContact CG-CB 4.41Å |
| 136 | I | 92.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.3 | -177.2 | -55.6 | 164.5 | 0 | 0 | 0 | 108.8 | L95 V98 L99 H128 V129 A131 I141 | L95-I136 HydrophobicContact CD1-CG1 3.8Å; L95-I136 HydrophobicContact CG-CD1 4.24Å; L95-I136 HydrophobicContact CG-CG1 3.76Å; V98-I136 HydrophobicContact CB-CD1 3.82Å; V98-I136 HydrophobicContact CG1-CD1 3.47Å; V98-I136 VanDerWaalsContact CG1-CD1 3.47Å; L99-I136 HydrophobicContact CD2-CG2 3.87Å; L99-I136 HydrophobicContact CG-CD1 4.46Å; H128-I136 CarbonylContact C-O 3.58Å; H128-I136 WeakPolarHBondContact CA-O 3.42Å; H128-I136 WeakPolarHBondContact CB-O 3.27Å; V129-I136 HydrophobicContact CG2-CB 4.47Å; V129-I136 PolarHBondContact N-O 2.72Å; V129-I136 PolarHBondContact O-N 3Å; A131-I136 HydrophobicContact CB-CD1 3.99Å; I136-I141 HydrophobicContact CB-CD1 4.3Å; I136-I141 HydrophobicContact CG2-CD1 3.52Å; I136-I141 HydrophobicContact CG2-CG1 3.71Å |
| 137 | N | 91.6 | Very high | 90.6 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 15% | 0.15 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131.7 | 178.1 | -164.8 | -62.5 | 0 | 0 | 0 | 111.4 | D127 H128 Q139 D140 I141 | D127-N137 CarbonylContact O-C 3.59Å; D127-N137 WeakPolarHBondContact O-CA 3.36Å; D127-N137 PolarHBondContact O-OD1 2.84Å; H128-N137 PolarHBondContact NE2-ND2 2.88Å; H128-N137 VanDerWaalsContact NE2-ND2 3.18Å; N137-Q139 VanDerWaalsContact C-N 3.26Å; N137-Q139 PolarHBondContact O-N 3.49Å; N137-Q139 WeakPolarHBondContact OD1-CA 3.46Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.39Å; N137-Q139 VanDerWaalsContact OD1-CG 3.32Å; N137-Q139 WeakPolarHBondContact OD1-CG 3.37Å; N137-Q139 PolarHBondContact OD1-N 3.42Å; N137-D140 HydrophobicContact CB-CB 4.44Å; N137-D140 WeakPolarHBondContact CB-OD2 3.45Å; N137-D140 PolarHBondContact O-N 3.12Å; N137-I141 PolarHBondContact O-N 2.94Å |
| 138 | I | 90 | Very high | 90.6 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.8 | -28.7 | -179.7 | -59.2 | 170.3 | 0 | 0 | 0 | 111.1 | D127 V129 T142 V162 I194 L197 M205 | D127-I138 WeakPolarHBondContact O-CG1 3.11Å; D127-I138 PolarHBondContact O-N 3.18Å; V129-I138 HydrophobicContact CG1-CD1 4.07Å; V129-I138 HydrophobicContact CG1-CG1 4.19Å; I138-T142 HydrophobicContact CG2-CG2 4.24Å; I138-T142 WeakPolarHBondContact O-CB 3.46Å; I138-T142 WeakPolarHBondContact O-CG2 3.43Å; I138-T142 PolarHBondContact O-N 3.44Å; I138-T142 PolarHBondContact O-OG1 3.32Å; I138-V162 HydrophobicContact CD1-CG1 4.41Å; I138-I194 HydrophobicContact CD1-CD1 4.18Å; I138-I194 HydrophobicContact CD1-CG2 3.94Å; I138-L197 HydrophobicContact CB-CD1 4.42Å; I138-M205 HydrophobicContact CG2-CE 3.59Å |
| 139 | Q | 87.6 | Confident | 90.5 | Very high | 79 Ų | 79 | 44.9 Ų | 44.9 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.7 | -57.8 | -176.4 | 34.3 | 0 | 0 | 111.5 | D127 N137 I141 T142 A143 L197 | D127-Q139 PolarHBondContact OD2-NE2 2.8Å; N137-Q139 VanDerWaalsContact C-N 3.26Å; N137-Q139 PolarHBondContact O-N 3.49Å; N137-Q139 WeakPolarHBondContact OD1-CA 3.46Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.39Å; N137-Q139 VanDerWaalsContact OD1-CG 3.32Å; N137-Q139 WeakPolarHBondContact OD1-CG 3.37Å; N137-Q139 PolarHBondContact OD1-N 3.42Å; Q139-I141 VanDerWaalsContact C-N 3.34Å; Q139-I141 PolarHBondContact O-N 2.78Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.25Å; Q139-T142 PolarHBondContact O-N 3.24Å; Q139-T142 PolarHBondContact O-OG1 3.18Å; Q139-T142 VanDerWaalsContact O-OG1 3.14Å; Q139-A143 WeakPolarHBondContact O-CB 3.33Å; Q139-A143 PolarHBondContact O-N 3.08Å; Q139-L197 HydrophobicContact CG-CD1 3.46Å; Q139-L197 VanDerWaalsContact CG-CD1 3.46Å; Q139-L197 HydrophobicContact CG-CD2 3.8Å; Q139-L197 HydrophobicContact CG-CG 4.16Å; Q139-L197 VanDerWaalsContact NE2-CD2 3.29Å |
| 140 | D | 90 | Very high | 90.3 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.5 | -41.7 | 179.8 | -67.5 | -29.3 | 0 | 0 | 0 | 111.1 | N137 A143 M144 | N137-D140 HydrophobicContact CB-CB 4.44Å; N137-D140 WeakPolarHBondContact CB-OD2 3.45Å; N137-D140 PolarHBondContact O-N 3.12Å; D140-A143 PolarHBondContact O-N 2.96Å; D140-M144 PolarHBondContact O-N 2.84Å |
| 141 | I | 92.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -56.8 | 174.2 | -64 | 164.9 | 0 | 0 | 0 | 110.5 | I102 L118 F120 V129 I136 N137 Q139 A143 M144 F145 F160 | I102-I141 HydrophobicContact CD1-CD1 4.3Å; I102-I141 HydrophobicContact CD1-CG1 4.17Å; I102-I141 HydrophobicContact CD1-CG2 4.22Å; I102-I141 HydrophobicContact CG2-CG2 4.15Å; L118-I141 HydrophobicContact CD2-CG2 3.5Å; L118-I141 VanDerWaalsContact CD2-CG2 3.5Å; F120-I141 HydrophobicContact CE2-CD1 3.74Å; F120-I141 HydrophobicContact CZ-CD1 3.55Å; V129-I141 HydrophobicContact CG2-CD1 4.45Å; I136-I141 HydrophobicContact CB-CD1 4.3Å; I136-I141 HydrophobicContact CG2-CD1 3.52Å; I136-I141 HydrophobicContact CG2-CG1 3.71Å; N137-I141 PolarHBondContact O-N 2.94Å; Q139-I141 VanDerWaalsContact C-N 3.34Å; Q139-I141 PolarHBondContact O-N 2.78Å; I141-A143 PolarHBondContact O-N 3.13Å; I141-M144 WeakPolarHBondContact O-CB 3.48Å; I141-M144 PolarHBondContact O-N 3.22Å; I141-M144 VanDerWaalsContact O-N 3.09Å; I141-F145 HydrophobicContact CG2-CE2 4.46Å; I141-F145 WeakPolarHBondContact O-CD2 3.48Å; I141-F160 HydrophobicContact CG2-CE1 3.9Å |
| 142 | T | 90.2 | Very high | 90 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -27.3 | -177.6 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | I138 Q139 M144 F145 F160 F203 M205 | I138-T142 HydrophobicContact CG2-CG2 4.24Å; I138-T142 WeakPolarHBondContact O-CB 3.46Å; I138-T142 WeakPolarHBondContact O-CG2 3.43Å; I138-T142 PolarHBondContact O-N 3.44Å; I138-T142 PolarHBondContact O-OG1 3.32Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.25Å; Q139-T142 PolarHBondContact O-N 3.24Å; Q139-T142 PolarHBondContact O-OG1 3.18Å; Q139-T142 VanDerWaalsContact O-OG1 3.14Å; T142-M144 VanDerWaalsContact C-N 3.28Å; T142-M144 PolarHBondContact O-N 3.15Å; T142-F145 PolarHBondContact O-N 3.14Å; T142-F160 HydrophobicContact CG2-CD1 4.03Å; T142-F160 HydrophobicContact CG2-CD2 4.39Å; T142-F160 HydrophobicContact CG2-CE1 3.83Å; T142-F160 HydrophobicContact CG2-CE2 4.24Å; T142-F160 HydrophobicContact CG2-CG 4.32Å; T142-F160 HydrophobicContact CG2-CZ 3.97Å; T142-F203 HydrophobicContact CG2-CD1 4.43Å; T142-F203 HydrophobicContact CG2-CE1 4.17Å; T142-F203 WeakPolarHBondContact O-CZ 3.26Å; T142-M205 HydrophobicContact CG2-CE 3.8Å; T142-M205 HydrophobicContact CG2-SD 3.81Å |
| 143 | A | 89.9 | Confident | 89.9 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 16% | 0.157 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -28.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q139 D140 I141 F145 K149 | Q139-A143 WeakPolarHBondContact O-CB 3.33Å; Q139-A143 PolarHBondContact O-N 3.08Å; D140-A143 PolarHBondContact O-N 2.96Å; I141-A143 PolarHBondContact O-N 3.13Å; A143-F145 VanDerWaalsContact C-N 3.34Å; A143-K149 WeakPolarHBondContact O-CD 3.16Å |
| 144 | M | 91.8 | Very high | 89.7 | Confident | 30 Ų | 30 | 52 Ų | 52 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -32.4 | 175.8 | -69 | -173.9 | -84.4 | 0 | 0 | 112.8 | L99 I102 A106 D140 I141 T142 K149 | L99-M144 HydrophobicContact CD2-CE 4.43Å; I102-M144 HydrophobicContact CB-CE 4.3Å; I102-M144 HydrophobicContact CG2-CE 3.4Å; I102-M144 VanDerWaalsContact CG2-CE 3.4Å; I102-M144 HydrophobicContact CG2-SD 4.31Å; A106-M144 HydrophobicContact CB-CB 3.99Å; D140-M144 PolarHBondContact O-N 2.84Å; I141-M144 WeakPolarHBondContact O-CB 3.48Å; I141-M144 PolarHBondContact O-N 3.22Å; I141-M144 VanDerWaalsContact O-N 3.09Å; T142-M144 VanDerWaalsContact C-N 3.28Å; T142-M144 PolarHBondContact O-N 3.15Å; M144-K149 VanDerWaalsContact O-CB 3.31Å; M144-K149 WeakPolarHBondContact O-CB 2.97Å |
| 145 | F | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 8.9 | -179.2 | -58.3 | -83.3 | 0 | 0 | 0 | 114.2 | I102 A106 F116 I141 T142 A143 L153 K158 F160 F203 | I102-F145 HydrophobicContact CG2-CE2 3.68Å; I102-F145 HydrophobicContact CG2-CZ 3.92Å; A106-F145 HydrophobicContact CB-CD1 4.3Å; A106-F145 HydrophobicContact CB-CE1 3.87Å; A106-F145 HydrophobicContact CB-CZ 4.05Å; F116-F145 HydrophobicContact CD1-CD1 4Å; F116-F145 AromaticContact CD1-CE1 3.98Å; F116-F145 HydrophobicContact CD1-CE1 3.98Å; F116-F145 HydrophobicContact CD1-CG 4.46Å; F116-F145 HydrophobicContact CD1-CZ 4.43Å; F116-F145 HydrophobicContact CD2-CE1 4.38Å; F116-F145 AromaticContact CE1-CD1 3.9Å; F116-F145 HydrophobicContact CE1-CD1 3.9Å; F116-F145 HydrophobicContact CE1-CD2 4.28Å; F116-F145 AromaticContact CE1-CE1 3.52Å; F116-F145 HydrophobicContact CE1-CE1 3.52Å; F116-F145 AromaticContact CE1-CE2 3.93Å; F116-F145 HydrophobicContact CE1-CE2 3.93Å; F116-F145 HydrophobicContact CE1-CG 4.26Å; F116-F145 AromaticContact CE1-CZ 3.55Å; F116-F145 HydrophobicContact CE1-CZ 3.55Å; F116-F145 AromaticContact CE2-CE1 3.97Å; F116-F145 HydrophobicContact CE2-CE1 3.97Å; F116-F145 HydrophobicContact CE2-CZ 4.24Å; F116-F145 HydrophobicContact CG-CE1 4.39Å; F116-F145 HydrophobicContact CZ-CD1 4.34Å; F116-F145 AromaticContact CZ-CE1 3.51Å; F116-F145 HydrophobicContact CZ-CE1 3.51Å; F116-F145 HydrophobicContact CZ-CE2 4.19Å; F116-F145 AromaticContact CZ-CZ 3.43Å; F116-F145 HydrophobicContact CZ-CZ 3.43Å; F116-F145 VanDerWaalsContact CZ-CZ 3.43Å; I141-F145 HydrophobicContact CG2-CE2 4.46Å; I141-F145 WeakPolarHBondContact O-CD2 3.48Å; T142-F145 PolarHBondContact O-N 3.14Å; A143-F145 VanDerWaalsContact C-N 3.34Å; F145-L153 HydrophobicContact CD1-CD1 3.9Å; F145-K158 HydrophobicContact CB-CD 4.05Å; F145-K158 VanDerWaalsContact O-CD 3.25Å; F145-K158 WeakPolarHBondContact O-CD 3.44Å; F145-F160 HydrophobicContact CD2-CE1 4.37Å; F145-F160 AromaticContact CD2-CZ 3.79Å; F145-F160 HydrophobicContact CD2-CZ 3.79Å; F145-F160 HydrophobicContact CE2-CZ 4.35Å; F145-F160 HydrophobicContact CG-CZ 4.34Å; F145-F203 HydrophobicContact CB-CE1 4.2Å; F145-F203 HydrophobicContact CB-CZ 3.89Å |
| 146 | R | 87.6 | Confident | 89.8 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -69.2 | 148 | 173.3 | -68.4 | 179 | -175.4 | -169.5 | 1.5 | 110.1 | N148 K149 C150 F203 | R146-N148 VanDerWaalsContact CB-OD1 3.31Å; R146-N148 WeakPolarHBondContact CB-OD1 3.13Å; R146-N148 PolarHBondContact O-N 3.17Å; R146-K149 PolarHBondContact O-N 2.91Å; R146-C150 PolarHBondContact O-N 2.92Å; R146-F203 HydrophobicContact CG-CZ 4.42Å |
| 147 | G | 76.6 | Confident | 90.1 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | I154 | G147-I154 WeakPolarHBondContact O-CD1 3.44Š|
| 148 | N | 79.4 | Confident | 90.4 | Very high | 132 Ų | 132 | 48.3 Ų | 48.3 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19 | 172.4 | 66.3 | -43.6 | 0 | 0 | 0 | 113.7 | R146 | R146-N148 VanDerWaalsContact CB-OD1 3.31Å; R146-N148 WeakPolarHBondContact CB-OD1 3.13Å; R146-N148 PolarHBondContact O-N 3.17Å |
| 149 | K | 85.5 | Confident | 90.7 | Very high | 133 Ų | 133 | 48.2 Ų | 48.2 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -59 | 174.9 | -66.4 | -168.7 | -174.8 | -179.3 | 0 | 110.9 | A143 M144 R146 R151 | A143-K149 WeakPolarHBondContact O-CD 3.16Å; M144-K149 VanDerWaalsContact O-CB 3.31Å; M144-K149 WeakPolarHBondContact O-CB 2.97Å; R146-K149 PolarHBondContact O-N 2.91Å; K149-R151 PolarHBondContact O-N 3.39Å |
| 150 | C | 89.7 | Confident | 91.2 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | trans | -96.6 | 85.6 | 178.9 | -166.4 | 0 | 0 | 0 | 0 | 111.3 | A106 R146 S152 L153 | A106-C150 PolarHBondContact O-SG 3.1Å; R146-C150 PolarHBondContact O-N 2.92Å; C150-S152 VanDerWaalsContact C-N 3.32Å; C150-S152 PolarHBondContact O-N 3.04Å; C150-L153 PolarHBondContact O-N 2.99Å | ||
| 151 | R | 90.1 | Very high | 91.5 | Very high | 197 Ų | 197 | 39.6 Ų | 39.6 | 74% | 0.743 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -67.9 | -28.5 | -175.5 | -64.8 | -177.4 | 69.4 | -164.1 | 1.3 | 113.7 | K149 L153 I154 | K149-R151 PolarHBondContact O-N 3.39Å; R151-L153 PolarHBondContact O-N 3.48Å; R151-I154 HydrophobicContact CB-CD1 4.26Å; R151-I154 HydrophobicContact CG-CD1 4.5Å; R151-I154 WeakPolarHBondContact O-CG1 3.11Å; R151-I154 PolarHBondContact O-N 3.34Å |
| 152 | S | 94.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -71.5 | -13 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | D108 H110 C150 K156 | D108-S152 PolarHBondContact O-OG 2.82Å; H110-S152 PolarHBondContact N-OG 3.4Å; C150-S152 VanDerWaalsContact C-N 3.32Å; C150-S152 PolarHBondContact O-N 3.04Å; S152-K156 WeakPolarHBondContact O-CE 3.05Å; S152-K156 PolarHBondContact O-NZ 2.8Å |
| 153 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -108.2 | 12.7 | 176.6 | -67.8 | 177.3 | 0 | 0 | 0 | 114.7 | H110 F116 F145 C150 R151 K156 K158 | H110-L153 HydrophobicContact CB-CD2 3.47Å; H110-L153 VanDerWaalsContact CB-CD2 3.47Å; H110-L153 HydrophobicContact CB-CG 3.79Å; F116-L153 HydrophobicContact CB-CD1 3.71Å; F116-L153 HydrophobicContact CB-CD2 3.97Å; F116-L153 HydrophobicContact CG-CD1 4.13Å; F145-L153 HydrophobicContact CD1-CD1 3.9Å; C150-L153 PolarHBondContact O-N 2.99Å; R151-L153 PolarHBondContact O-N 3.48Å; L153-K156 HydrophobicContact CD2-CB 4.41Å; L153-K156 HydrophobicContact CD2-CD 4.18Å; L153-K156 PolarHBondContact O-N 3.14Å; L153-K158 HydrophobicContact CB-CD 4.15Å; L153-K158 HydrophobicContact CB-CG 4.4Å; L153-K158 HydrophobicContact CD1-CD 4.48Å; L153-K158 HydrophobicContact CD1-CG 4.31Å; L153-K158 PolarHBondContact O-NZ 2.91Å |
| 154 | I | 92.3 | Very high | 91.3 | Very high | 100 Ų | 100 | 38.6 Ų | 38.6 | 51% | 0.513 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 131.9 | 171.2 | -63.1 | 169.6 | 0 | 0 | 0 | 109.5 | G147 R151 K156 | G147-I154 WeakPolarHBondContact O-CD1 3.44Å; R151-I154 HydrophobicContact CB-CD1 4.26Å; R151-I154 HydrophobicContact CG-CD1 4.5Å; R151-I154 WeakPolarHBondContact O-CG1 3.11Å; R151-I154 PolarHBondContact O-N 3.34Å; I154-K156 VanDerWaalsContact C-N 3.27Å; I154-K156 PolarHBondContact O-N 3.16Å |
| 155 | G | 91.6 | Very high | 90.3 | Very high | 42 Ų | 42 | 37.1 Ų | 37.1 | 43% | 0.433 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 16.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | D202 | G155-D202 WeakPolarHBondContact CA-OD2 3.42Å; G155-D202 PolarHBondContact N-OD2 3.15Å; G155-D202 VanDerWaalsContact N-OD2 3.09Å |
| 156 | K | 96.9 | Very high | 88.5 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -125.9 | 142.8 | -176.4 | -60.4 | -170.8 | -170.2 | 179.3 | 0 | 111.6 | R43 H110 S111 A113 D114 S152 L153 I154 K158 D202 | R43-K156 VanDerWaalsContact CZ-CE 3.42Å; H110-K156 PolarHBondContact O-NZ 2.89Å; S111-K156 PolarHBondContact O-NZ 2.78Å; A113-K156 WeakPolarHBondContact O-CD 3.44Å; A113-K156 WeakPolarHBondContact O-CE 3.09Å; A113-K156 PolarHBondContact O-NZ 2.88Å; D114-K156 WeakPolarHBondContact O-CB 3.28Å; S152-K156 WeakPolarHBondContact O-CE 3.05Å; S152-K156 PolarHBondContact O-NZ 2.8Å; L153-K156 HydrophobicContact CD2-CB 4.41Å; L153-K156 HydrophobicContact CD2-CD 4.18Å; L153-K156 PolarHBondContact O-N 3.14Å; I154-K156 VanDerWaalsContact C-N 3.27Å; I154-K156 PolarHBondContact O-N 3.16Å; K156-K158 PolarHBondContact O-N 3.49Å; K156-K158 PolarHBondContact O-NZ 2.77Å; K156-D202 WeakPolarHBondContact O-CB 3.25Å |
| 157 | P | 97.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | trans | -59.7 | 133.6 | 177.4 | -18.7 | 28.7 | 0 | 0 | 0 | 112.5 | Y39 M41 C115 F116 I159 D202 L279 L283 | Y39-P157 HydrophobicContact CD1-CG 4.01Å; Y39-P157 HydrophobicContact CD2-CG 3.75Å; Y39-P157 HydrophobicContact CE1-CG 4.35Å; Y39-P157 HydrophobicContact CE2-CG 4.1Å; Y39-P157 HydrophobicContact CG-CG 3.7Å; M41-P157 HydrophobicContact SD-CG 4.36Å; C115-P157 WeakPolarHBondContact CA-O 3.16Å; C115-P157 HydrophobicContact CB-CB 3.91Å; C115-P157 HydrophobicContact CB-CG 4.09Å; C115-P157 VanDerWaalsContact CB-O 3.28Å; C115-P157 WeakPolarHBondContact CB-O 3.41Å; F116-P157 PolarHBondContact N-O 3.44Å; P157-I159 HydrophobicContact CB-CD1 4.44Å; P157-I159 HydrophobicContact CB-CG1 4.34Å; P157-D202 CarbonylContact C-O 3.36Å; P157-D202 WeakPolarHBondContact CA-O 3.37Å; P157-L279 HydrophobicContact CB-CD2 4.31Å; P157-L283 HydrophobicContact CB-CD1 4.25Å; P157-L283 HydrophobicContact CB-CD2 3.91Å; P157-L283 HydrophobicContact CG-CD1 3.65Å; P157-L283 HydrophobicContact CG-CD2 4.16Å; P157-L283 HydrophobicContact CG-CG 4.47Å | ||
| 158 | K | 97.6 | Very high | 85.2 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 102.6 | 176 | -70.8 | 168.3 | -72.3 | -66.8 | 0 | 108 | F145 L153 K156 F160 A201 D202 F203 I204 | F145-K158 HydrophobicContact CB-CD 4.05Å; F145-K158 VanDerWaalsContact O-CD 3.25Å; F145-K158 WeakPolarHBondContact O-CD 3.44Å; L153-K158 HydrophobicContact CB-CD 4.15Å; L153-K158 HydrophobicContact CB-CG 4.4Å; L153-K158 HydrophobicContact CD1-CD 4.48Å; L153-K158 HydrophobicContact CD1-CG 4.31Å; L153-K158 PolarHBondContact O-NZ 2.91Å; K156-K158 PolarHBondContact O-N 3.49Å; K156-K158 PolarHBondContact O-NZ 2.77Å; K158-F160 HydrophobicContact CB-CE2 4.12Å; K158-A201 PolarHBondContact NZ-O 3.15Å; K158-D202 PolarHBondContact N-O 3.45Å; K158-D202 IonicContact NZ-OD2 2.71Å; K158-F203 HydrophobicContact CB-CD1 3.95Å; K158-F203 HydrophobicContact CB-CD2 4.34Å; K158-F203 HydrophobicContact CB-CE1 4.15Å; K158-F203 HydrophobicContact CB-CG 4.07Å; K158-F203 HydrophobicContact CB-CZ 4.46Å; K158-F203 HydrophobicContact CD-CD2 4.14Å; K158-F203 HydrophobicContact CD-CE1 4.31Å; K158-F203 HydrophobicContact CD-CE2 3.7Å; K158-F203 HydrophobicContact CD-CZ 3.8Å; K158-F203 CarbonylContact O-C 3.55Å; K158-F203 WeakPolarHBondContact O-CA 3.43Å; K158-I204 PolarHBondContact O-N 3.41Å |
| 159 | I | 98.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.2 | -164.3 | -57.1 | 156.6 | 0 | 0 | 0 | 109 | F116 L117 L118 P157 I161 I204 F242 L283 F285 | F116-I159 PolarHBondContact O-N 3.14Å; L117-I159 CarbonylContact C-O 3.54Å; L117-I159 VanDerWaalsContact CA-O 3.3Å; L117-I159 WeakPolarHBondContact CA-O 3.45Å; L117-I159 HydrophobicContact CB-CB 4.34Å; L117-I159 HydrophobicContact CD1-CB 4.35Å; L117-I159 HydrophobicContact CD1-CG2 4.02Å; L117-I159 HydrophobicContact CG-CB 4.18Å; L117-I159 HydrophobicContact CG-CG2 4.14Å; L118-I159 PolarHBondContact N-O 2.92Å; P157-I159 HydrophobicContact CB-CD1 4.44Å; P157-I159 HydrophobicContact CB-CG1 4.34Å; I159-I161 HydrophobicContact CG2-CG1 4.26Å; I159-I204 HydrophobicContact CB-CG2 4.09Å; I159-I204 HydrophobicContact CG1-CG2 3.75Å; I159-I204 HydrophobicContact CG2-CG2 4.07Å; I159-F242 HydrophobicContact CG2-CE1 3.91Å; I159-F242 HydrophobicContact CG2-CZ 4.09Å; I159-L283 HydrophobicContact CD1-CD2 4.16Å; I159-L283 HydrophobicContact CG1-CD2 4.47Å; I159-F285 HydrophobicContact CD1-CE1 4.32Å; I159-F285 HydrophobicContact CD1-CZ 3.64Å |
| 160 | F | 97.1 | Very high | 81.5 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.5 | 178.9 | -69.1 | -103 | 0 | 0 | 0 | 109 | F116 L118 I141 T142 F145 K158 F203 I204 M205 C206 | F116-F160 HydrophobicContact CE1-CZ 4.31Å; L118-F160 HydrophobicContact CB-CD1 4Å; L118-F160 HydrophobicContact CB-CE1 4.04Å; L118-F160 HydrophobicContact CD2-CD1 3.86Å; L118-F160 HydrophobicContact CD2-CE1 3.56Å; L118-F160 HydrophobicContact CG-CD1 4.25Å; L118-F160 HydrophobicContact CG-CE1 4.3Å; L118-F160 CarbonylContact O-C 3.58Å; L118-F160 VanDerWaalsContact O-CA 3.28Å; L118-F160 WeakPolarHBondContact O-CA 3.34Å; I141-F160 HydrophobicContact CG2-CE1 3.9Å; T142-F160 HydrophobicContact CG2-CD1 4.03Å; T142-F160 HydrophobicContact CG2-CD2 4.39Å; T142-F160 HydrophobicContact CG2-CE1 3.83Å; T142-F160 HydrophobicContact CG2-CE2 4.24Å; T142-F160 HydrophobicContact CG2-CG 4.32Å; T142-F160 HydrophobicContact CG2-CZ 3.97Å; F145-F160 HydrophobicContact CD2-CE1 4.37Å; F145-F160 AromaticContact CD2-CZ 3.79Å; F145-F160 HydrophobicContact CD2-CZ 3.79Å; F145-F160 HydrophobicContact CE2-CZ 4.35Å; F145-F160 HydrophobicContact CG-CZ 4.34Å; K158-F160 HydrophobicContact CB-CE2 4.12Å; F160-F203 AromaticContact CD2-CD1 3.89Å; F160-F203 HydrophobicContact CD2-CD1 3.89Å; F160-F203 HydrophobicContact CD2-CE1 4.3Å; F160-F203 AromaticContact CE2-CD1 3.42Å; F160-F203 HydrophobicContact CE2-CD1 3.42Å; F160-F203 VanDerWaalsContact CE2-CD1 3.42Å; F160-F203 AromaticContact CE2-CE1 3.41Å; F160-F203 HydrophobicContact CE2-CE1 3.41Å; F160-F203 VanDerWaalsContact CE2-CE1 3.41Å; F160-F203 HydrophobicContact CZ-CD1 4.3Å; F160-F203 AromaticContact CZ-CE1 3.86Å; F160-F203 HydrophobicContact CZ-CE1 3.86Å; F160-I204 PolarHBondContact N-O 3.48Å; F160-M205 HydrophobicContact CB-CE 3.55Å; F160-M205 HydrophobicContact CB-SD 3.61Å; F160-M205 HydrophobicContact CD1-CE 4.35Å; F160-M205 HydrophobicContact CD2-SD 3.77Å; F160-M205 HydrophobicContact CG-CE 3.9Å; F160-M205 HydrophobicContact CG-SD 3.73Å; F160-C206 PolarHBondContact O-N 3.05Å |
| 161 | I | 97.1 | Very high | 79.3 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.7 | 177.7 | -58.4 | 174.3 | 0 | 0 | 0 | 107.8 | L76 L117 L118 A119 F120 I159 C206 Y225 I226 L229 | L76-I161 HydrophobicContact CD1-CD1 4.47Å; L117-I161 HydrophobicContact CD1-CD1 4.04Å; L117-I161 HydrophobicContact CD2-CD1 4.32Å; L117-I161 HydrophobicContact CG-CD1 4.42Å; L118-I161 PolarHBondContact O-N 2.85Å; A119-I161 CarbonylContact C-O 3.6Å; A119-I161 VanDerWaalsContact CA-O 3.25Å; A119-I161 WeakPolarHBondContact CA-O 3.36Å; A119-I161 HydrophobicContact CB-CB 4.13Å; F120-I161 PolarHBondContact N-O 2.87Å; I159-I161 HydrophobicContact CG2-CG1 4.26Å; I161-C206 CarbonylContact C-O 3.59Å; I161-C206 WeakPolarHBondContact CA-O 3.33Å; I161-C206 HydrophobicContact CG1-CB 4.39Å; I161-Y225 HydrophobicContact CG2-CE1 4.03Å; I161-I226 HydrophobicContact CG2-CD1 4.09Å; I161-L229 HydrophobicContact CD1-CD2 4.19Å; I161-L229 HydrophobicContact CG2-CD2 4.25Å |
| 162 | V | 93.9 | Very high | 76.8 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 92.7 | -174.3 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | V129 I138 A164 I194 C206 Y207 S208 | V129-V162 HydrophobicContact CG1-CG1 4.06Å; I138-V162 HydrophobicContact CD1-CG1 4.41Å; V162-A164 HydrophobicContact CG1-CB 3.65Å; V162-A164 PolarHBondContact O-N 2.75Å; V162-I194 HydrophobicContact CG1-CD1 3.9Å; V162-C206 PolarHBondContact N-O 3.24Å; V162-Y207 HydrophobicContact CB-CD1 3.82Å; V162-Y207 HydrophobicContact CB-CE1 4.19Å; V162-Y207 HydrophobicContact CG1-CD1 4.1Å; V162-Y207 HydrophobicContact CG1-CE1 4.41Å; V162-Y207 HydrophobicContact CG2-CD1 4.35Å; V162-Y207 HydrophobicContact CG2-CE1 4.25Å; V162-S208 PolarHBondContact O-N 2.94Å; V162-S208 VanDerWaalsContact O-N 3.08Å |
| 163 | Q | 90.6 | Very high | 74.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 73 | 161.2 | 176.5 | 49.7 | 68.8 | 0 | 0 | 107.5 | F120 L121 S122 S208 S215 S223 I226 | F120-Q163 CarbonylContact O-C 3.47Å; F120-Q163 PolarHBondContact O-N 2.72Å; L121-Q163 HydrophobicContact CD2-CB 3.73Å; L121-Q163 HydrophobicContact CD2-CG 4.32Å; S122-Q163 PolarHBondContact N-O 3.46Å; Q163-S208 PolarHBondContact NE2-OG 3.21Å; Q163-S208 PolarHBondContact OE1-OG 3.37Å; Q163-S215 PolarHBondContact NE2-OG 3.31Å; Q163-S223 WeakPolarHBondContact CG-OG 3.44Å; Q163-S223 VanDerWaalsContact OE1-CB 3.32Å; Q163-S223 PolarHBondContact OE1-OG 2.88Å; Q163-I226 HydrophobicContact CB-CD1 4.19Å; Q163-I226 HydrophobicContact CB-CG1 4.03Å; Q163-I226 HydrophobicContact CG-CG1 4.1Å |
| 164 | A | 82.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -144.1 | -172.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | S122 V129 V162 I194 S208 | S122-A164 WeakPolarHBondContact O-CA 3.3Å; V129-A164 HydrophobicContact CG1-CB 3.9Å; V162-A164 HydrophobicContact CG1-CB 3.65Å; V162-A164 PolarHBondContact O-N 2.75Å; A164-I194 HydrophobicContact CB-CD1 4.49Å; A164-S208 PolarHBondContact O-OG 2.88Å |
| 165 | C | 70.8 | Confident | 69 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -119.8 | 132.4 | -141.9 | -82 | 0 | 0 | 0 | 0 | 112.7 | D190 A191 C192 A193 I194 | C165-D190 VanDerWaalsContact SG-CB 3.52Å; C165-A191 WeakPolarHBondContact CB-O 3.34Å; C165-C192 VanDerWaalsContact C-CA 3.48Å; C165-C192 WeakPolarHBondContact CA-SG 3.33Å; C165-C192 HydrophobicContact CB-CB 3.93Å; C165-C192 WeakPolarHBondContact CB-SG 3.43Å; C165-A193 CarbonylContact O-C 3.57Å; C165-A193 PolarHBondContact O-N 2.77Å; C165-I194 VanDerWaalsContact O-CG1 3.3Å; C165-I194 WeakPolarHBondContact O-CG1 3.4Å | ||
| 166 | R | 55.9 | Low | 66.3 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | trans | -119.2 | -16.9 | -158 | -66.5 | -149.5 | 72.7 | 167.3 | -4.9 | 126.4 | C192 A193 I194 Y207 V209 A210 E211 G212 C274 | R166-C192 PolarHBondContact N-SG 2.9Å; R166-A193 VanDerWaalsContact CA-C 3.45Å; R166-A193 VanDerWaalsContact CA-CA 3.47Å; R166-A193 VanDerWaalsContact CA-N 3.25Å; R166-A193 CarbonylContact O-C 3.32Å; R166-A193 WeakPolarHBondContact O-CA 3.47Å; R166-I194 HydrophobicContact CG-CB 3.94Å; R166-I194 HydrophobicContact CG-CD1 3.88Å; R166-I194 HydrophobicContact CG-CG1 3.83Å; R166-I194 PolarHBondContact NE-O 3.01Å; R166-I194 PolarHBondContact NH2-O 2.81Å; R166-I194 PolarHBondContact O-N 3.27Å; R166-I194 VanDerWaalsContact O-N 3.13Å; R166-Y207 VanDerWaalsContact NH1-CD2 3.34Å; R166-V209 HydrophobicContact CB-CG1 3.71Å; R166-V209 WeakPolarHBondContact CD-O 3.31Å; R166-V209 HydrophobicContact CG-CG1 3.78Å; R166-A210 WeakPolarHBondContact CB-O 3.3Å; R166-E211 IonicContact NH2-OE2 4Å; R166-E211 PolarHBondContact NH2-OE2 2.9Å; R166-G212 PolarHBondContact O-N 2.74Å; R166-C274 PolarHBondContact NH1-SG 2.77Å | ||
| 167 | G | 49.8 | Very low | 63.3 | Low | 8 Ų | 8 | 56.5 Ų | 56.5 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | trans | -164.5 | 163.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q169 C192 G212 F213 | G167-Q169 PolarHBondContact O-N 2.57Å; G167-C192 CarbonylContact C-O 3.57Å; G167-C192 WeakPolarHBondContact CA-O 3.33Å; G167-C192 PolarHBondContact N-O 3.31Å; G167-C192 WeakPolarHBondContact O-CB 3.1Å; G167-G212 CarbonylContact C-O 3.57Å; G167-G212 WeakPolarHBondContact CA-O 3.42Å; G167-G212 VanDerWaalsContact O-O 3.11Å; G167-F213 PolarHBondContact N-O 2.92Å; G167-F213 VanDerWaalsContact N-O 3.14Å | ||
| 168 | E | 44.9 | Very low | 60 | Low | 163 Ų | 163 | 64.6 Ų | 64.6 | 76% | 0.762 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -74.7 | 8.6 | 179.7 | -73.3 | -167.8 | 159 | 0 | 0 | 114.8 | C192 Y214 | E168-C192 PolarHBondContact N-O 3.19Å; E168-C192 VanDerWaalsContact N-O 3.12Å; E168-Y214 PolarHBondContact O-OH 3.02Å |
| 169 | Q | 40.7 | Very low | 57.2 | Low | 141 Ų | 141 | 68.9 Ų | 68.9 | 66% | 0.659 | 40% | 0.397 | S | S | * | . | trans | -104.7 | 139 | -169.1 | -63.1 | -177.4 | -8.1 | 0 | 0 | 113.5 | G167 G212 Y214 | G167-Q169 PolarHBondContact O-N 2.57Å; Q169-G212 WeakPolarHBondContact CB-O 3.2Å; Q169-G212 PolarHBondContact N-O 3.45Å; Q169-Y214 VanDerWaalsContact C-CE2 3.43Å; Q169-Y214 WeakPolarHBondContact O-CD2 3.45Å; Q169-Y214 WeakPolarHBondContact O-CE2 3.29Å | ||
| 170 | H | 45.4 | Very low | 54 | Low | 92 Ų | 92 | 76.2 Ų | 76.2 | 43% | 0.426 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 142.1 | -178 | -68 | -36 | 0 | 0 | 0 | 112.3 | Y214 K269 | H170-Y214 AromaticContact CE1-CE2 3.46Å; H170-Y214 VanDerWaalsContact CE1-CE2 3.46Å; H170-Y214 WeakPolarHBondContact CE1-CE2 3.43Å; H170-Y214 AromaticContact CE1-CZ 3.47Å; H170-Y214 VanDerWaalsContact CE1-CZ 3.47Å; H170-Y214 PolarHBondContact CE1-OH 3.46Å; H170-Y214 VanDerWaalsContact CE1-OH 3.31Å; H170-Y214 AromaticContact CG-CE2 3.97Å; H170-Y214 AromaticContact ND1-CD2 3.58Å; H170-Y214 AromaticContact ND1-CE2 2.97Å; H170-Y214 WeakPolarHBondContact ND1-CE2 3.38Å; H170-Y214 AromaticContact ND1-CZ 3.52Å; H170-K269 HydrophobicContact CB-CD 4.42Å; H170-K269 PolarHBondContact CD2-NZ 2.81Å; H170-K269 VanDerWaalsContact CD2-NZ 3.31Å; H170-K269 PolarHBondContact CE1-NZ 2.68Å; H170-K269 PolarHBondContact ND1-NZ 2.89Å; H170-K269 VanDerWaalsContact ND1-NZ 3.12Å; H170-K269 PolarHBondContact NE2-NZ 3.23Å |
| 171 | D | 44.5 | Very low | 51.1 | Low | 62 Ų | 62 | 83 Ų | 83 | 33% | 0.332 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 133.6 | 162.1 | -101.1 | -33 | 0 | 0 | 0 | 110 | F213 | D171-F213 WeakPolarHBondContact OD1-CE1 3.05Å; D171-F213 WeakPolarHBondContact OD2-CD1 3.31Å |
| 172 | D | 37.3 | Very low | 47.9 | Very low | 150 Ų | 150 | 89.5 Ų | 89.5 | 80% | 0.802 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 124.6 | 175.7 | -78.8 | -39.9 | 0 | 0 | 0 | 111.7 | ||
| 173 | P | 41.8 | Very low | 45.4 | Very low | 63 Ų | 63 | 96.7 Ų | 96.7 | 41% | 0.409 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -82.5 | 162.8 | 177.3 | 31.8 | -34 | 0 | 0 | 0 | 114.1 | G268 | P173-G268 WeakPolarHBondContact CB-O 3.3Š|
| 174 | V | 37 | Very low | 43.4 | Very low | 146 Ų | 146 | 100.1 Ų | 100.1 | 89% | 0.885 | 58% | 0.577 | S | S | * | * | trans | -120.1 | 124.8 | 173 | -165.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 175 | T | 38.3 | Very low | 42.4 | Very low | 118 Ų | 118 | 102.7 Ų | 102.7 | 72% | 0.724 | 59% | 0.591 | S | S | * | * | trans | -80.7 | 160 | -164.8 | -0.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 176 | P | 35.3 | Very low | 42.3 | Very low | 129 Ų | 129 | 105.5 Ų | 105.5 | 84% | 0.838 | 60% | 0.604 | S | S | * | * | -139 | 174.7 | 72.7 | 34.4 | -14.6 | 0 | 0 | 0 | 116.9 | |||||
| 177 | C | 33.7 | Very low | 43.1 | Very low | 99 Ų | 99 | 106 Ų | 106 | 67% | 0.669 | 61% | 0.607 | S | S | * | * | trans | -90.6 | 156.5 | -160.6 | -42.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 178 | D | 28.5 | Very low | 44 | Very low | 171 Ų | 171 | 107.6 Ų | 107.6 | 91% | 0.914 | 62% | 0.615 | S | S | * | * | 175.3 | 155.5 | 97.1 | -91.9 | -25.8 | 0 | 0 | 0 | 111.8 | |||||
| 179 | A | 38.5 | Very low | 44.4 | Very low | 95 Ų | 95 | 101.6 Ų | 101.6 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | trans | -114.6 | 154.9 | -158.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 180 | V | 30.5 | Very low | 44.7 | Very low | 154 Ų | 154 | 95.4 Ų | 95.4 | 93% | 0.933 | 56% | 0.561 | S | S | * | * | trans | -155.5 | 137.8 | 153.6 | -111.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 181 | D | 35.5 | Very low | 44.2 | Very low | 144 Ų | 144 | 93.6 Ų | 93.6 | 77% | 0.77 | 56% | 0.562 | S | S | * | * | trans | -81.8 | 148.5 | -177.2 | -77.1 | -47.4 | 0 | 0 | 0 | 114.7 | ||||
| 182 | N | 31.1 | Very low | 43.8 | Very low | 141 Ų | 141 | 91.1 Ų | 91.1 | 75% | 0.754 | 55% | 0.549 | S | S | * | . | trans | -167.2 | 130.9 | 149 | -103.4 | -42.4 | 0 | 0 | 0 | 112.1 | T184 | N182-T184 WeakPolarHBondContact O-CG2 3.43Å; N182-T184 PolarHBondContact O-N 2.93Å | ||
| 183 | V | 41.9 | Very low | 43.7 | Very low | 152 Ų | 152 | 84.8 Ų | 84.8 | 92% | 0.921 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 11.8 | 83.8 | 172 | -168.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 184 | T | 48.7 | Very low | 43.5 | Very low | 71 Ų | 71 | 81.9 Ų | 81.9 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 141.8 | -160.1 | 45.5 | 0 | 0 | 0 | 0 | 114.4 | N182 E186 N260 | N182-T184 WeakPolarHBondContact O-CG2 3.43Å; N182-T184 PolarHBondContact O-N 2.93Å; T184-E186 PolarHBondContact O-N 3.39Å; T184-N260 WeakPolarHBondContact CB-ND2 3.47Å; T184-N260 HydrophobicContact CG2-CB 4.43Å; T184-N260 PolarHBondContact OG1-ND2 3.5Å |
| 185 | N | 60.6 | Low | 43.7 | Very low | 54 Ų | 54 | 79.2 Ų | 79.2 | 29% | 0.289 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 122.3 | 155.3 | -92.8 | -6.5 | 0 | 0 | 0 | 108 | E218 I220 N221 N260 | N185-E218 PolarHBondContact ND2-OE2 2.83Å; N185-I220 WeakPolarHBondContact OD1-CD1 3.2Å; N185-I220 WeakPolarHBondContact OD1-CG1 3.41Å; N185-N221 PolarHBondContact ND2-ND2 3.41Å; N185-N260 PolarHBondContact O-ND2 3.23Å; N185-N260 VanDerWaalsContact O-ND2 3.11Å |
| 186 | E | 68.4 | Low | 44.1 | Very low | 60 Ų | 60 | 77.2 Ų | 77.2 | 28% | 0.28 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 123.9 | 174.7 | -65 | -178.1 | 174.2 | 0 | 0 | 109.5 | T184 T219 K262 | T184-E186 PolarHBondContact O-N 3.39Å; E186-T219 HydrophobicContact CB-CG2 4.42Å; E186-T219 PolarHBondContact O-N 3.43Å; E186-K262 WeakPolarHBondContact OE1-CE 3.38Å; E186-K262 IonicContact OE1-NZ 3.46Å; E186-K262 PolarHBondContact OE1-NZ 2.93Å; E186-K262 WeakPolarHBondContact OE2-CE 3.39Å; E186-K262 IonicContact OE2-NZ 2.72Å; E186-K262 PolarHBondContact OE2-NZ 2.99Å |
| 187 | T | 72.1 | Confident | 44.7 | Very low | 12 Ų | 12 | 72.2 Ų | 72.2 | 7% | 0.074 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.1 | 166.3 | -47.9 | 0 | 0 | 0 | 0 | 107.6 | H216 W224 V258 N260 C261 | T187-H216 HydrophobicContact CG2-CB 3.95Å; T187-W224 HydrophobicContact CG2-CZ2 3.85Å; T187-V258 HydrophobicContact CG2-CG2 4.32Å; T187-N260 WeakPolarHBondContact CB-O 3.44Å; T187-N260 PolarHBondContact N-O 3.18Å; T187-N260 PolarHBondContact OG1-O 2.91Å; T187-C261 PolarHBondContact O-SG 3.23Å |
| 188 | V | 68.6 | Low | 45.4 | Very low | 42 Ų | 42 | 72.5 Ų | 72.5 | 26% | 0.255 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 144.5 | 168.9 | -66.3 | 0 | 0 | 0 | 0 | 109.9 | R217 T219 | V188-R217 HydrophobicContact CG2-CB 4.25Å; V188-R217 VanDerWaalsContact CG2-CZ 3.46Å; V188-R217 VanDerWaalsContact CG2-O 3.3Å; V188-R217 WeakPolarHBondContact CG2-O 3.48Å; V188-R217 PolarHBondContact N-O 3.14Å; V188-R217 PolarHBondContact O-N 3.45Å; V188-T219 HydrophobicContact CG1-CG2 4.08Å; V188-T219 HydrophobicContact CG2-CG2 4.38Å |
| 189 | V | 53.8 | Low | 46.6 | Very low | 37 Ų | 37 | 64.8 Ų | 64.8 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 110.8 | -180 | -163.8 | 0 | 0 | 0 | 0 | 107.1 | Y214 A266 | V189-Y214 VanDerWaalsContact CG1-CB 3.49Å; V189-Y214 HydrophobicContact CG1-CD1 3.37Å; V189-Y214 HydrophobicContact CG1-CE1 4.2Å; V189-Y214 HydrophobicContact CG1-CG 3.58Å; V189-A266 HydrophobicContact CG2-CB 3.61Å |
| 190 | D | 46.5 | Very low | 47.9 | Very low | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.059 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 128.1 | 175.4 | -68.6 | -40.7 | 0 | 0 | 0 | 108.3 | H123 C165 C192 Y214 S215 R217 | H123-D190 IonicContact CE1-OD1 3.49Å; C165-D190 VanDerWaalsContact SG-CB 3.52Å; D190-C192 PolarHBondContact O-SG 3Å; D190-Y214 WeakPolarHBondContact O-CD1 3.34Å; D190-S215 PolarHBondContact N-O 3.3Å; D190-S215 PolarHBondContact O-N 3.37Å; D190-R217 IonicContact OD1-CZ 2.84Å; D190-R217 IonicContact OD1-NH2 3.93Å; D190-R217 PolarHBondContact OD1-NH2 2.87Å; D190-R217 IonicContact OD2-CZ 2.67Å; D190-R217 VanDerWaalsContact OD2-CZ 3.29Å; D190-R217 IonicContact OD2-NE 3.13Å; D190-R217 PolarHBondContact OD2-NE 2.77Å; D190-R217 IonicContact OD2-NH2 3.36Å; D190-R217 PolarHBondContact OD2-NH2 3.4Å |
| 191 | A | 35.2 | Very low | 50.4 | Low | 54 Ų | 54 | 57.3 Ų | 57.3 | 45% | 0.446 | 35% | 0.348 | S | S | . | . | trans | -89.4 | 164.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C165 Y214 | C165-A191 WeakPolarHBondContact CB-O 3.34Å; A191-Y214 HydrophobicContact CB-CD1 4.2Å; A191-Y214 HydrophobicContact CB-CE1 3.6Å | ||
| 192 | C | 36.6 | Very low | 53.1 | Low | 10 Ų | 10 | 51.1 Ų | 51.1 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | -160.4 | 149.3 | -124.7 | -90.5 | 0 | 0 | 0 | 0 | 115.9 | C165 R166 G167 E168 D190 F213 | C165-C192 VanDerWaalsContact C-CA 3.48Å; C165-C192 WeakPolarHBondContact CA-SG 3.33Å; C165-C192 HydrophobicContact CB-CB 3.93Å; C165-C192 WeakPolarHBondContact CB-SG 3.43Å; R166-C192 PolarHBondContact N-SG 2.9Å; G167-C192 CarbonylContact C-O 3.57Å; G167-C192 WeakPolarHBondContact CA-O 3.33Å; G167-C192 PolarHBondContact N-O 3.31Å; G167-C192 WeakPolarHBondContact O-CB 3.1Å; E168-C192 PolarHBondContact N-O 3.19Å; E168-C192 VanDerWaalsContact N-O 3.12Å; D190-C192 PolarHBondContact O-SG 3Å; C192-F213 WeakPolarHBondContact CB-O 3.28Å; C192-F213 PolarHBondContact SG-O 3.31Å | |||
| 193 | A | 34.3 | Very low | 56.2 | Low | 17 Ų | 17 | 44.5 Ų | 44.5 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | trans | -176.2 | 128.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E125 N126 C165 R166 | E125-A193 CarbonylContact C-O 2.95Å; E125-A193 VanDerWaalsContact C-O 3.32Å; E125-A193 WeakPolarHBondContact CA-O 3.37Å; N126-A193 CarbonylContact C-O 3.46Å; N126-A193 WeakPolarHBondContact CA-O 3.36Å; N126-A193 VanDerWaalsContact N-C 3.34Å; N126-A193 PolarHBondContact N-O 3.37Å; C165-A193 CarbonylContact O-C 3.57Å; C165-A193 PolarHBondContact O-N 2.77Å; R166-A193 VanDerWaalsContact CA-C 3.45Å; R166-A193 VanDerWaalsContact CA-CA 3.47Å; R166-A193 VanDerWaalsContact CA-N 3.25Å; R166-A193 CarbonylContact O-C 3.32Å; R166-A193 WeakPolarHBondContact O-CA 3.47Å | ||
| 194 | I | 38.9 | Very low | 58.7 | Low | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | trans | -163 | 142.8 | 166.1 | -44.9 | 175.5 | 0 | 0 | 0 | 110.3 | N126 I138 V162 A164 C165 R166 Y207 E211 | N126-I194 VanDerWaalsContact O-CA 3.23Å; N126-I194 WeakPolarHBondContact O-CA 3.38Å; N126-I194 WeakPolarHBondContact O-CB 3.46Å; N126-I194 WeakPolarHBondContact O-CG1 3.13Å; I138-I194 HydrophobicContact CD1-CD1 4.18Å; I138-I194 HydrophobicContact CD1-CG2 3.94Å; V162-I194 HydrophobicContact CG1-CD1 3.9Å; A164-I194 HydrophobicContact CB-CD1 4.49Å; C165-I194 VanDerWaalsContact O-CG1 3.3Å; C165-I194 WeakPolarHBondContact O-CG1 3.4Å; R166-I194 HydrophobicContact CG-CB 3.94Å; R166-I194 HydrophobicContact CG-CD1 3.88Å; R166-I194 HydrophobicContact CG-CG1 3.83Å; R166-I194 PolarHBondContact NE-O 3.01Å; R166-I194 PolarHBondContact NH2-O 2.81Å; R166-I194 PolarHBondContact O-N 3.27Å; R166-I194 VanDerWaalsContact O-N 3.13Å; I194-Y207 HydrophobicContact CD1-CD1 4.04Å; I194-Y207 HydrophobicContact CD1-CE1 4.18Å; I194-Y207 HydrophobicContact CG2-CE1 4.02Å; I194-E211 WeakPolarHBondContact O-CG 3.19Å | ||
| 195 | H | 41.4 | Very low | 60.9 | Low | 90 Ų | 90 | 33.9 Ų | 33.9 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | trans | -93 | 157.5 | 169.9 | -57.6 | -65.7 | 0 | 0 | 0 | 114.9 | D127 E211 | D127-H195 WeakPolarHBondContact OD1-CB 3.45Å; D127-H195 IonicContact OD1-CD2 3.29Å; D127-H195 PolarHBondContact OD1-CD2 3.15Å; D127-H195 IonicContact OD1-CG 3.89Å; D127-H195 PolarHBondContact OD1-N 3.29Å; D127-H195 IonicContact OD2-CD2 3.55Å; H195-E211 WeakPolarHBondContact CA-OE2 3.24Å; H195-E211 IonicContact CE1-OE1 3.27Å; H195-E211 PolarHBondContact CE1-OE1 2.95Å; H195-E211 IonicContact CG-OE1 2.62Å; H195-E211 IonicContact ND1-OE1 3.88Å; H195-E211 PolarHBondContact ND1-OE1 3.04Å; H195-E211 IonicContact ND1-OE2 3.92Å | ||
| 196 | T | 45.1 | Very low | 62.5 | Low | 76 Ų | 76 | 31.3 Ų | 31.3 | 47% | 0.466 | 20% | 0.201 | S | C | . | . | trans | -81.5 | 120.1 | 170.6 | 42.6 | 0 | 0 | 0 | 0 | 111.7 | Y207 A276 | T196-Y207 HydrophobicContact CG2-CE2 4.38Å; T196-A276 HydrophobicContact CG2-CB 4.28Å | ||
| 197 | L | 47.9 | Very low | 63.6 | Low | 24 Ų | 24 | 28.5 Ų | 28.5 | 13% | 0.126 | 19% | 0.188 | C | C | . | . | trans | -109.1 | 129.1 | -168.4 | -65.6 | 162.8 | 0 | 0 | 0 | 112 | D127 I138 Q139 A199 | D127-L197 HydrophobicContact CB-CD1 4.27Å; I138-L197 HydrophobicContact CB-CD1 4.42Å; Q139-L197 HydrophobicContact CG-CD1 3.46Å; Q139-L197 VanDerWaalsContact CG-CD1 3.46Å; Q139-L197 HydrophobicContact CG-CD2 3.8Å; Q139-L197 HydrophobicContact CG-CG 4.16Å; Q139-L197 VanDerWaalsContact NE2-CD2 3.29Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.23Å | ||
| 198 | P | 48.6 | Very low | 64.4 | Low | 105 Ų | 105 | 27.9 Ų | 27.9 | 68% | 0.682 | 19% | 0.185 | S | C | * | . | trans | -73.4 | 89 | 170.6 | 30.5 | -32.8 | 0 | 0 | 0 | 109.7 | ||||
| 199 | A | 54.6 | Low | 65 | Low | 9 Ų | 9 | 26 Ų | 26 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | trans | -66.2 | 171 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110 | L197 F203 M278 | L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.23Å; A199-F203 HydrophobicContact CB-CB 3.7Å; A199-F203 HydrophobicContact CB-CD1 3.46Å; A199-F203 VanDerWaalsContact CB-CD1 3.46Å; A199-F203 HydrophobicContact CB-CD2 3.91Å; A199-F203 HydrophobicContact CB-CE1 3.93Å; A199-F203 HydrophobicContact CB-CE2 4.32Å; A199-F203 HydrophobicContact CB-CG 3.43Å; A199-F203 VanDerWaalsContact CB-CG 3.43Å; A199-F203 HydrophobicContact CB-CZ 4.32Å; A199-M278 HydrophobicContact CB-CE 3.83Å | ||
| 200 | G | 66 | Low | 66 | Low | 29 Ų | 29 | 25.3 Ų | 25.3 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | trans | -65.2 | -175.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F203 M278 | G200-F203 WeakPolarHBondContact O-CD2 3.44Å; G200-M278 WeakPolarHBondContact O-CB 3.17Å | ||
| 201 | A | 82.9 | Confident | 67 | Low | 63 Ų | 63 | 28.8 Ų | 28.8 | 52% | 0.521 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 148.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K158 F203 | K158-A201 PolarHBondContact NZ-O 3.15Å; A201-F203 VanDerWaalsContact C-N 3.3Å; A201-F203 PolarHBondContact O-N 3.11Å |
| 202 | D | 92.6 | Very high | 68.1 | Low | 14 Ų | 14 | 27 Ų | 27 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 24.4 | -178.5 | -34.8 | -62.7 | 0 | 0 | 0 | 115 | Y39 G155 K156 P157 K158 M278 T280 | Y39-D202 HydrophobicContact CE1-CB 4.22Å; Y39-D202 WeakPolarHBondContact CE1-OD1 3.28Å; Y39-D202 WeakPolarHBondContact OH-CB 3.06Å; Y39-D202 PolarHBondContact OH-OD1 3.18Å; G155-D202 WeakPolarHBondContact CA-OD2 3.42Å; G155-D202 PolarHBondContact N-OD2 3.15Å; G155-D202 VanDerWaalsContact N-OD2 3.09Å; K156-D202 WeakPolarHBondContact O-CB 3.25Å; P157-D202 CarbonylContact C-O 3.36Å; P157-D202 WeakPolarHBondContact CA-O 3.37Å; K158-D202 PolarHBondContact N-O 3.45Å; K158-D202 IonicContact NZ-OD2 2.71Å; D202-M278 PolarHBondContact N-O 3.08Å; D202-T280 PolarHBondContact OD1-OG1 3.28Å |
| 203 | F | 94.6 | Very high | 69.5 | Low | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 150 | 168.3 | -79.1 | -107.4 | 0 | 0 | 0 | 111.6 | T142 F145 R146 K158 F160 A199 G200 A201 M278 L279 | T142-F203 HydrophobicContact CG2-CD1 4.43Å; T142-F203 HydrophobicContact CG2-CE1 4.17Å; T142-F203 WeakPolarHBondContact O-CZ 3.26Å; F145-F203 HydrophobicContact CB-CE1 4.2Å; F145-F203 HydrophobicContact CB-CZ 3.89Å; R146-F203 HydrophobicContact CG-CZ 4.42Å; K158-F203 HydrophobicContact CB-CD1 3.95Å; K158-F203 HydrophobicContact CB-CD2 4.34Å; K158-F203 HydrophobicContact CB-CE1 4.15Å; K158-F203 HydrophobicContact CB-CG 4.07Å; K158-F203 HydrophobicContact CB-CZ 4.46Å; K158-F203 HydrophobicContact CD-CD2 4.14Å; K158-F203 HydrophobicContact CD-CE1 4.31Å; K158-F203 HydrophobicContact CD-CE2 3.7Å; K158-F203 HydrophobicContact CD-CZ 3.8Å; K158-F203 CarbonylContact O-C 3.55Å; K158-F203 WeakPolarHBondContact O-CA 3.43Å; F160-F203 AromaticContact CD2-CD1 3.89Å; F160-F203 HydrophobicContact CD2-CD1 3.89Å; F160-F203 HydrophobicContact CD2-CE1 4.3Å; F160-F203 AromaticContact CE2-CD1 3.42Å; F160-F203 HydrophobicContact CE2-CD1 3.42Å; F160-F203 VanDerWaalsContact CE2-CD1 3.42Å; F160-F203 AromaticContact CE2-CE1 3.41Å; F160-F203 HydrophobicContact CE2-CE1 3.41Å; F160-F203 VanDerWaalsContact CE2-CE1 3.41Å; F160-F203 HydrophobicContact CZ-CD1 4.3Å; F160-F203 AromaticContact CZ-CE1 3.86Å; F160-F203 HydrophobicContact CZ-CE1 3.86Å; A199-F203 HydrophobicContact CB-CB 3.7Å; A199-F203 HydrophobicContact CB-CD1 3.46Å; A199-F203 VanDerWaalsContact CB-CD1 3.46Å; A199-F203 HydrophobicContact CB-CD2 3.91Å; A199-F203 HydrophobicContact CB-CE1 3.93Å; A199-F203 HydrophobicContact CB-CE2 4.32Å; A199-F203 HydrophobicContact CB-CG 3.43Å; A199-F203 VanDerWaalsContact CB-CG 3.43Å; A199-F203 HydrophobicContact CB-CZ 4.32Å; G200-F203 WeakPolarHBondContact O-CD2 3.44Å; A201-F203 VanDerWaalsContact C-N 3.3Å; A201-F203 PolarHBondContact O-N 3.11Å; F203-M278 HydrophobicContact CB-CE 3.66Å; F203-M278 CarbonylContact O-C 3.12Å; F203-M278 WeakPolarHBondContact O-CA 3.45Å; F203-M278 PolarHBondContact O-N 3.32Å; F203-L279 PolarHBondContact O-N 3.2Å |
| 204 | I | 95.6 | Very high | 71.2 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 126.6 | 161.9 | -172.4 | 169.4 | 0 | 0 | 0 | 109.8 | K158 I159 F160 F242 T243 L246 F275 A276 L279 | K158-I204 PolarHBondContact O-N 3.41Å; I159-I204 HydrophobicContact CB-CG2 4.09Å; I159-I204 HydrophobicContact CG1-CG2 3.75Å; I159-I204 HydrophobicContact CG2-CG2 4.07Å; F160-I204 PolarHBondContact N-O 3.48Å; I204-F242 HydrophobicContact CD1-CD1 4.17Å; I204-F242 HydrophobicContact CD1-CE1 4.29Å; I204-F242 HydrophobicContact CG2-CD1 4.49Å; I204-F242 HydrophobicContact CG2-CE1 4.18Å; I204-T243 HydrophobicContact CD1-CG2 3.84Å; I204-L246 HydrophobicContact CD1-CD1 3.65Å; I204-F275 HydrophobicContact CD1-CD2 4.18Å; I204-A276 WeakPolarHBondContact CA-O 3.29Å; I204-L279 HydrophobicContact CB-CD1 4.19Å; I204-L279 HydrophobicContact CB-CD2 4.29Å; I204-L279 HydrophobicContact CB-CG 4.07Å; I204-L279 HydrophobicContact CD1-CD1 4.09Å; I204-L279 HydrophobicContact CG2-CD1 4.33Å; I204-L279 HydrophobicContact CG2-CD2 4.39Å |
| 205 | M | 94 | Very high | 73 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.7 | 179.4 | -52.3 | -61.7 | -61 | 0 | 0 | 108.6 | I138 T142 F160 Y207 F275 A276 M278 | I138-M205 HydrophobicContact CG2-CE 3.59Å; T142-M205 HydrophobicContact CG2-CE 3.8Å; T142-M205 HydrophobicContact CG2-SD 3.81Å; F160-M205 HydrophobicContact CB-CE 3.55Å; F160-M205 HydrophobicContact CB-SD 3.61Å; F160-M205 HydrophobicContact CD1-CE 4.35Å; F160-M205 HydrophobicContact CD2-SD 3.77Å; F160-M205 HydrophobicContact CG-CE 3.9Å; F160-M205 HydrophobicContact CG-SD 3.73Å; M205-Y207 HydrophobicContact CB-CD2 4.33Å; M205-Y207 HydrophobicContact CB-CE2 3.46Å; M205-Y207 VanDerWaalsContact CB-CE2 3.46Å; M205-F275 CarbonylContact O-C 3.55Å; M205-F275 WeakPolarHBondContact O-CA 3.49Å; M205-F275 WeakPolarHBondContact O-CB 3.38Å; M205-A276 HydrophobicContact CB-CB 4.39Å; M205-A276 PolarHBondContact N-O 3.04Å; M205-A276 PolarHBondContact O-N 3.1Å; M205-M278 HydrophobicContact CG-CE 4.11Å |
| 206 | C | 95.1 | Very high | 75.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 110.8 | -176.3 | -53.5 | 0 | 0 | 0 | 0 | 109.1 | F160 I161 V162 Y225 L246 | F160-C206 PolarHBondContact O-N 3.05Å; I161-C206 CarbonylContact C-O 3.59Å; I161-C206 WeakPolarHBondContact CA-O 3.33Å; I161-C206 HydrophobicContact CG1-CB 4.39Å; V162-C206 PolarHBondContact N-O 3.24Å; C206-Y225 WeakPolarHBondContact CB-OH 3.39Å; C206-L246 HydrophobicContact CB-CD2 4.37Å; C206-L246 VanDerWaalsContact SG-CD1 3.52Å |
| 207 | Y | 92.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 141.1 | -177.2 | -57.7 | -87.5 | 0 | 0 | 0 | 110.6 | V162 R166 I194 T196 M205 V209 C274 | V162-Y207 HydrophobicContact CB-CD1 3.82Å; V162-Y207 HydrophobicContact CB-CE1 4.19Å; V162-Y207 HydrophobicContact CG1-CD1 4.1Å; V162-Y207 HydrophobicContact CG1-CE1 4.41Å; V162-Y207 HydrophobicContact CG2-CD1 4.35Å; V162-Y207 HydrophobicContact CG2-CE1 4.25Å; R166-Y207 VanDerWaalsContact NH1-CD2 3.34Å; I194-Y207 HydrophobicContact CD1-CD1 4.04Å; I194-Y207 HydrophobicContact CD1-CE1 4.18Å; I194-Y207 HydrophobicContact CG2-CE1 4.02Å; T196-Y207 HydrophobicContact CG2-CE2 4.38Å; M205-Y207 HydrophobicContact CB-CD2 4.33Å; M205-Y207 HydrophobicContact CB-CE2 3.46Å; M205-Y207 VanDerWaalsContact CB-CE2 3.46Å; Y207-V209 WeakPolarHBondContact CB-O 3.45Å; Y207-V209 PolarHBondContact O-N 2.92Å; Y207-V209 VanDerWaalsContact O-N 3.15Å; Y207-C274 PolarHBondContact N-O 2.99Å; Y207-C274 PolarHBondContact O-N 3.03Å; Y207-C274 VanDerWaalsContact O-O 3.08Å |
| 208 | S | 87.4 | Confident | 79 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -63.8 | -20.2 | -179 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | V162 Q163 A164 S215 Y225 Q271 P273 | V162-S208 PolarHBondContact O-N 2.94Å; V162-S208 VanDerWaalsContact O-N 3.08Å; Q163-S208 PolarHBondContact NE2-OG 3.21Å; Q163-S208 PolarHBondContact OE1-OG 3.37Å; A164-S208 PolarHBondContact O-OG 2.88Å; S208-S215 PolarHBondContact OG-OG 2.9Å; S208-Y225 VanDerWaalsContact CA-CG 3.46Å; S208-Q271 PolarHBondContact O-NE2 3.44Å; S208-P273 WeakPolarHBondContact O-CA 3.36Å; S208-P273 WeakPolarHBondContact O-CB 3.28Å; S208-P273 WeakPolarHBondContact O-CG 3.16Å |
| 209 | V | 81.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -146.9 | 166.9 | 179.6 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | R166 Y207 F213 Y214 Q271 V272 C274 | R166-V209 HydrophobicContact CB-CG1 3.71Å; R166-V209 WeakPolarHBondContact CD-O 3.31Å; R166-V209 HydrophobicContact CG-CG1 3.78Å; Y207-V209 WeakPolarHBondContact CB-O 3.45Å; Y207-V209 PolarHBondContact O-N 2.92Å; Y207-V209 VanDerWaalsContact O-N 3.15Å; V209-F213 HydrophobicContact CG2-CB 3.63Å; V209-Y214 WeakPolarHBondContact CG2-O 3.39Å; V209-Q271 HydrophobicContact CB-CG 4.14Å; V209-Q271 HydrophobicContact CG2-CG 4.13Å; V209-V272 CarbonylContact C-O 3.59Å; V209-V272 VanDerWaalsContact C-O 3.32Å; V209-V272 VanDerWaalsContact CA-O 3.29Å; V209-V272 WeakPolarHBondContact CA-O 3.18Å; V209-C274 PolarHBondContact O-SG 3.34Å |
| 210 | A | 75.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 19% | 0.19 | 15% | 0.146 | C | C | . | . | trans | -75.6 | 163.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R166 F213 V272 C274 | R166-A210 WeakPolarHBondContact CB-O 3.3Å; A210-F213 HydrophobicContact CB-CD2 3.94Å; A210-F213 HydrophobicContact CB-CE2 4.3Å; A210-F213 PolarHBondContact O-N 2.93Å; A210-V272 PolarHBondContact N-O 3.5Å; A210-C274 HydrophobicContact CB-CB 4.48Å | ||
| 211 | E | 66.1 | Low | 83.5 | Confident | 85 Ų | 85 | 26.9 Ų | 26.9 | 40% | 0.397 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 133.8 | 173.7 | -170.1 | 165 | 153.9 | 0 | 0 | 111.7 | R166 I194 H195 F213 | R166-E211 IonicContact NH2-OE2 4Å; R166-E211 PolarHBondContact NH2-OE2 2.9Å; I194-E211 WeakPolarHBondContact O-CG 3.19Å; H195-E211 WeakPolarHBondContact CA-OE2 3.24Å; H195-E211 IonicContact CE1-OE1 3.27Å; H195-E211 PolarHBondContact CE1-OE1 2.95Å; H195-E211 IonicContact CG-OE1 2.62Å; H195-E211 IonicContact ND1-OE1 3.88Å; H195-E211 PolarHBondContact ND1-OE1 3.04Å; H195-E211 IonicContact ND1-OE2 3.92Å; E211-F213 WeakPolarHBondContact O-CD2 3.49Å; E211-F213 WeakPolarHBondContact O-CE2 3.26Å |
| 212 | G | 58.7 | Low | 84 | Confident | 17 Ų | 17 | 23.9 Ų | 23.9 | 18% | 0.175 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | -25.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | R166 G167 Q169 | R166-G212 PolarHBondContact O-N 2.74Å; G167-G212 CarbonylContact C-O 3.57Å; G167-G212 WeakPolarHBondContact CA-O 3.42Å; G167-G212 VanDerWaalsContact O-O 3.11Å; Q169-G212 WeakPolarHBondContact CB-O 3.2Å; Q169-G212 PolarHBondContact N-O 3.45Å |
| 213 | F | 67.5 | Low | 84 | Confident | 70 Ų | 70 | 23.2 Ų | 23.2 | 31% | 0.307 | 12% | 0.122 | S | C | . | . | trans | -114.7 | 169.6 | -163 | -51.9 | -92.4 | 0 | 0 | 0 | 114.6 | G167 D171 C192 V209 A210 E211 | G167-F213 PolarHBondContact N-O 2.92Å; G167-F213 VanDerWaalsContact N-O 3.14Å; D171-F213 WeakPolarHBondContact OD1-CE1 3.05Å; D171-F213 WeakPolarHBondContact OD2-CD1 3.31Å; C192-F213 WeakPolarHBondContact CB-O 3.28Å; C192-F213 PolarHBondContact SG-O 3.31Å; V209-F213 HydrophobicContact CG2-CB 3.63Å; A210-F213 HydrophobicContact CB-CD2 3.94Å; A210-F213 HydrophobicContact CB-CE2 4.3Å; A210-F213 PolarHBondContact O-N 2.93Å; E211-F213 WeakPolarHBondContact O-CD2 3.49Å; E211-F213 WeakPolarHBondContact O-CE2 3.26Å | ||
| 214 | Y | 68.3 | Low | 84 | Confident | 34 Ų | 34 | 23.6 Ų | 23.6 | 13% | 0.133 | 12% | 0.124 | C | C | . | . | trans | -88.1 | 147.2 | -175.8 | -71.8 | -90.6 | 0 | 0 | 0 | 114.5 | E168 Q169 H170 V189 D190 A191 V209 | E168-Y214 PolarHBondContact O-OH 3.02Å; Q169-Y214 VanDerWaalsContact C-CE2 3.43Å; Q169-Y214 WeakPolarHBondContact O-CD2 3.45Å; Q169-Y214 WeakPolarHBondContact O-CE2 3.29Å; H170-Y214 AromaticContact CE1-CE2 3.46Å; H170-Y214 VanDerWaalsContact CE1-CE2 3.46Å; H170-Y214 WeakPolarHBondContact CE1-CE2 3.43Å; H170-Y214 AromaticContact CE1-CZ 3.47Å; H170-Y214 VanDerWaalsContact CE1-CZ 3.47Å; H170-Y214 PolarHBondContact CE1-OH 3.46Å; H170-Y214 VanDerWaalsContact CE1-OH 3.31Å; H170-Y214 AromaticContact CG-CE2 3.97Å; H170-Y214 AromaticContact ND1-CD2 3.58Å; H170-Y214 AromaticContact ND1-CE2 2.97Å; H170-Y214 WeakPolarHBondContact ND1-CE2 3.38Å; H170-Y214 AromaticContact ND1-CZ 3.52Å; V189-Y214 VanDerWaalsContact CG1-CB 3.49Å; V189-Y214 HydrophobicContact CG1-CD1 3.37Å; V189-Y214 HydrophobicContact CG1-CE1 4.2Å; V189-Y214 HydrophobicContact CG1-CG 3.58Å; D190-Y214 WeakPolarHBondContact O-CD1 3.34Å; A191-Y214 HydrophobicContact CB-CD1 4.2Å; A191-Y214 HydrophobicContact CB-CE1 3.6Å; V209-Y214 WeakPolarHBondContact CG2-O 3.39Å | ||
| 215 | S | 78.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.2 | 171.9 | -166.8 | 0 | 0 | 0 | 0 | 110.9 | Q163 D190 S208 Q271 | Q163-S215 PolarHBondContact NE2-OG 3.31Å; D190-S215 PolarHBondContact N-O 3.3Å; D190-S215 PolarHBondContact O-N 3.37Å; S208-S215 PolarHBondContact OG-OG 2.9Å; S215-Q271 PolarHBondContact OG-NE2 3.43Å |
| 216 | H | 84.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.5 | -175.4 | -59.9 | 85.3 | 0 | 0 | 0 | 112.2 | T187 W224 V258 K270 Q271 | T187-H216 HydrophobicContact CG2-CB 3.95Å; H216-W224 HydrophobicContact CB-CD2 3.67Å; H216-W224 HydrophobicContact CB-CE3 3.67Å; H216-W224 HydrophobicContact CB-CG 4.27Å; H216-W224 HydrophobicContact CB-CH2 4.06Å; H216-W224 HydrophobicContact CB-CZ2 4.09Å; H216-W224 HydrophobicContact CB-CZ3 3.87Å; H216-W224 AromaticContact CG-CH2 3.96Å; H216-W224 AromaticContact CG-CZ3 3.75Å; H216-W224 AromaticContact ND1-CZ3 3.77Å; H216-W224 PolarHBondContact O-N 3.34Å; H216-V258 WeakPolarHBondContact CD2-CG2 3.4Å; H216-V258 WeakPolarHBondContact NE2-CG2 3.14Å; H216-K270 PolarHBondContact CE1-O 3.35Å; H216-Q271 PolarHBondContact ND1-OE1 3.23Å |
| 217 | R | 88.4 | Confident | 84.4 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 2% | 0.023 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 130.6 | -179.6 | 173.5 | 173.9 | 50 | 76.3 | 4.9 | 111.1 | R66 S67 V188 D190 | R66-R217 VanDerWaalsContact C-NH1 3.28Å; S67-R217 PolarHBondContact O-NH1 3.44Å; V188-R217 HydrophobicContact CG2-CB 4.25Å; V188-R217 VanDerWaalsContact CG2-CZ 3.46Å; V188-R217 VanDerWaalsContact CG2-O 3.3Å; V188-R217 WeakPolarHBondContact CG2-O 3.48Å; V188-R217 PolarHBondContact N-O 3.14Å; V188-R217 PolarHBondContact O-N 3.45Å; D190-R217 IonicContact OD1-CZ 2.84Å; D190-R217 IonicContact OD1-NH2 3.93Å; D190-R217 PolarHBondContact OD1-NH2 2.87Å; D190-R217 IonicContact OD2-CZ 2.67Å; D190-R217 VanDerWaalsContact OD2-CZ 3.29Å; D190-R217 IonicContact OD2-NE 3.13Å; D190-R217 PolarHBondContact OD2-NE 2.77Å; D190-R217 IonicContact OD2-NH2 3.36Å; D190-R217 PolarHBondContact OD2-NH2 3.4Å |
| 218 | E | 86.6 | Confident | 84.7 | Confident | 23 Ų | 23 | 25.2 Ų | 25.2 | 11% | 0.107 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 133.2 | 168.9 | -71.2 | 165.7 | -115.8 | 0 | 0 | 109 | N185 I220 N221 G222 W224 Q227 R256 | N185-E218 PolarHBondContact ND2-OE2 2.83Å; E218-I220 PolarHBondContact O-N 3.23Å; E218-I220 VanDerWaalsContact O-N 3.08Å; E218-N221 HydrophobicContact CB-CB 4.02Å; E218-N221 WeakPolarHBondContact OE2-CB 3.46Å; E218-N221 PolarHBondContact OE2-ND2 3.29Å; E218-G222 PolarHBondContact N-O 3.49Å; E218-G222 PolarHBondContact O-N 3.03Å; E218-W224 PolarHBondContact OE1-NE1 2.94Å; E218-Q227 PolarHBondContact OE1-NE2 2.83Å; E218-R256 IonicContact OE1-NH1 2.78Å |
| 219 | T | 86.6 | Confident | 85.2 | Confident | 40 Ų | 40 | 25.3 Ų | 25.3 | 25% | 0.245 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17 | -174.6 | 50.7 | 0 | 0 | 0 | 0 | 114.8 | S67 G68 E186 V188 | S67-T219 CarbonylContact C-O 3.53Å; G68-T219 WeakPolarHBondContact CA-O 3.47Å; G68-T219 PolarHBondContact N-O 2.82Å; E186-T219 HydrophobicContact CB-CG2 4.42Å; E186-T219 PolarHBondContact O-N 3.43Å; V188-T219 HydrophobicContact CG1-CG2 4.08Å; V188-T219 HydrophobicContact CG2-CG2 4.38Å |
| 220 | I | 87.5 | Confident | 86 | Confident | 112 Ų | 112 | 25.5 Ų | 25.5 | 57% | 0.574 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -51.2 | 176.8 | -53.7 | -168.8 | 0 | 0 | 0 | 111.7 | A71 N185 E218 G222 | A71-I220 WeakPolarHBondContact CB-O 3.49Å; N185-I220 WeakPolarHBondContact OD1-CD1 3.2Å; N185-I220 WeakPolarHBondContact OD1-CG1 3.41Å; E218-I220 PolarHBondContact O-N 3.23Å; E218-I220 VanDerWaalsContact O-N 3.08Å; I220-G222 PolarHBondContact O-N 3.34Å |
| 221 | N | 89.8 | Confident | 87 | Confident | 74 Ų | 74 | 29.1 Ų | 29.1 | 40% | 0.396 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -14.9 | -172.2 | -68.9 | -16.6 | 0 | 0 | 0 | 114.5 | N185 E218 | N185-N221 PolarHBondContact ND2-ND2 3.41Å; E218-N221 HydrophobicContact CB-CB 4.02Å; E218-N221 WeakPolarHBondContact OE2-CB 3.46Å; E218-N221 PolarHBondContact OE2-ND2 3.29Å |
| 222 | G | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.4 | -170.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G68 D72 E218 I220 Q227 | G68-G222 WeakPolarHBondContact O-CA 3.48Å; D72-G222 VanDerWaalsContact OD1-CA 3.24Å; D72-G222 WeakPolarHBondContact OD1-CA 3.3Å; E218-G222 PolarHBondContact N-O 3.49Å; E218-G222 PolarHBondContact O-N 3.03Å; I220-G222 PolarHBondContact O-N 3.34Å; G222-Q227 PolarHBondContact O-NE2 3.21Å |
| 223 | S | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 140.7 | -176.8 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | D72 Q163 Y225 I226 Q227 | D72-S223 VanDerWaalsContact CG-N 3.26Å; D72-S223 VanDerWaalsContact CG-OG 3.23Å; D72-S223 PolarHBondContact OD1-N 3.49Å; D72-S223 PolarHBondContact OD1-OG 3.17Å; D72-S223 VanDerWaalsContact OD2-CB 3.25Å; D72-S223 WeakPolarHBondContact OD2-CB 3.45Å; D72-S223 PolarHBondContact OD2-N 2.92Å; D72-S223 PolarHBondContact OD2-OG 2.93Å; Q163-S223 WeakPolarHBondContact CG-OG 3.44Å; Q163-S223 VanDerWaalsContact OE1-CB 3.32Å; Q163-S223 PolarHBondContact OE1-OG 2.88Å; S223-Y225 PolarHBondContact O-N 2.95Å; S223-I226 PolarHBondContact O-N 2.93Å; S223-I226 WeakPolarHBondContact OG-CB 3.14Å; S223-I226 VanDerWaalsContact OG-CG1 3.26Å; S223-I226 WeakPolarHBondContact OG-CG1 3.35Å; S223-Q227 WeakPolarHBondContact O-CB 3.48Å; S223-Q227 VanDerWaalsContact O-CG 3.28Å; S223-Q227 WeakPolarHBondContact O-CG 2.97Å; S223-Q227 PolarHBondContact O-N 3.12Å |
| 224 | W | 94.5 | Very high | 91.8 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.6 | -39.9 | -179.9 | -71.5 | -3.6 | 0 | 0 | 0 | 112.6 | T187 H216 E218 D228 V253 R256 E257 V258 Q271 | T187-W224 HydrophobicContact CG2-CZ2 3.85Å; H216-W224 HydrophobicContact CB-CD2 3.67Å; H216-W224 HydrophobicContact CB-CE3 3.67Å; H216-W224 HydrophobicContact CB-CG 4.27Å; H216-W224 HydrophobicContact CB-CH2 4.06Å; H216-W224 HydrophobicContact CB-CZ2 4.09Å; H216-W224 HydrophobicContact CB-CZ3 3.87Å; H216-W224 AromaticContact CG-CH2 3.96Å; H216-W224 AromaticContact CG-CZ3 3.75Å; H216-W224 AromaticContact ND1-CZ3 3.77Å; H216-W224 PolarHBondContact O-N 3.34Å; E218-W224 PolarHBondContact OE1-NE1 2.94Å; W224-D228 WeakPolarHBondContact O-CB 3.29Å; W224-D228 PolarHBondContact O-N 2.99Å; W224-V253 HydrophobicContact CB-CG1 4.37Å; W224-R256 HydrophobicContact CD2-CB 4.07Å; W224-R256 HydrophobicContact CD2-CG 4.48Å; W224-R256 HydrophobicContact CE3-CB 3.66Å; W224-R256 HydrophobicContact CE3-CG 4.44Å; W224-R256 VanDerWaalsContact CG-CD 3.48Å; W224-R256 HydrophobicContact CH2-CB 4.17Å; W224-R256 HydrophobicContact CZ3-CB 3.73Å; W224-E257 VanDerWaalsContact CH2-C 3.47Å; W224-V258 HydrophobicContact CH2-CB 4.44Å; W224-V258 HydrophobicContact CH2-CG2 3.63Å; W224-V258 HydrophobicContact CZ2-CG2 4.19Å; W224-Q271 HydrophobicContact CE3-CB 4.19Å; W224-Q271 HydrophobicContact CZ3-CB 4.34Å |
| 225 | Y | 96.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.7 | -48.7 | 178.6 | 177.6 | -109.3 | 0 | 0 | 0 | 112.8 | I161 C206 S208 S223 D228 L229 V249 P273 | I161-Y225 HydrophobicContact CG2-CE1 4.03Å; C206-Y225 WeakPolarHBondContact CB-OH 3.39Å; S208-Y225 VanDerWaalsContact CA-CG 3.46Å; S223-Y225 PolarHBondContact O-N 2.95Å; Y225-D228 PolarHBondContact O-N 3.4Å; Y225-L229 HydrophobicContact CE1-CD2 4.13Å; Y225-L229 WeakPolarHBondContact O-CB 3.35Å; Y225-L229 PolarHBondContact O-N 3.06Å; Y225-V249 HydrophobicContact CD2-CG1 3.63Å; Y225-V249 HydrophobicContact CE2-CG1 3.54Å; Y225-P273 HydrophobicContact CD2-CB 3.65Å; Y225-P273 HydrophobicContact CD2-CG 3.64Å; Y225-P273 HydrophobicContact CE2-CB 3.69Å; Y225-P273 HydrophobicContact CE2-CG 4.14Å |
| 226 | I | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.4 | -35.5 | -179.6 | -59.8 | -64.9 | 0 | 0 | 0 | 111.1 | D72 L76 L121 I161 Q163 S223 L229 C230 | D72-I226 HydrophobicContact CB-CB 4.05Å; D72-I226 HydrophobicContact CB-CG1 4.27Å; D72-I226 HydrophobicContact CB-CG2 3.75Å; D72-I226 WeakPolarHBondContact OD1-CB 3.43Å; L76-I226 HydrophobicContact CB-CG2 4.39Å; L121-I226 HydrophobicContact CD2-CD1 3.95Å; L121-I226 HydrophobicContact CD2-CG1 4.01Å; I161-I226 HydrophobicContact CG2-CD1 4.09Å; Q163-I226 HydrophobicContact CB-CD1 4.19Å; Q163-I226 HydrophobicContact CB-CG1 4.03Å; Q163-I226 HydrophobicContact CG-CG1 4.1Å; S223-I226 PolarHBondContact O-N 2.93Å; S223-I226 WeakPolarHBondContact OG-CB 3.14Å; S223-I226 VanDerWaalsContact OG-CG1 3.26Å; S223-I226 WeakPolarHBondContact OG-CG1 3.35Å; I226-L229 HydrophobicContact CD1-CD2 4.3Å; I226-C230 WeakPolarHBondContact O-CB 3.35Å; I226-C230 PolarHBondContact O-N 2.83Å; I226-C230 PolarHBondContact O-SG 2.76Å |
| 227 | Q | 97.6 | Very high | 94.6 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 16% | 0.159 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54 | -55.9 | 170.4 | -71.4 | 177.5 | 35.6 | 0 | 0 | 111.2 | E218 G222 S223 C230 E231 | E218-Q227 PolarHBondContact OE1-NE2 2.83Å; G222-Q227 PolarHBondContact O-NE2 3.21Å; S223-Q227 WeakPolarHBondContact O-CB 3.48Å; S223-Q227 VanDerWaalsContact O-CG 3.28Å; S223-Q227 WeakPolarHBondContact O-CG 2.97Å; S223-Q227 PolarHBondContact O-N 3.12Å; Q227-C230 PolarHBondContact O-N 3.18Å; Q227-E231 PolarHBondContact O-N 3.09Å |
| 228 | D | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.3 | -37.5 | -175.2 | -74.1 | -20.2 | 0 | 0 | 0 | 112.8 | W224 Y225 E231 L232 V249 K252 V253 R256 | W224-D228 WeakPolarHBondContact O-CB 3.29Å; W224-D228 PolarHBondContact O-N 2.99Å; Y225-D228 PolarHBondContact O-N 3.4Å; D228-E231 PolarHBondContact O-N 3.46Å; D228-L232 WeakPolarHBondContact O-CB 3.2Å; D228-L232 WeakPolarHBondContact O-CG 3.34Å; D228-L232 PolarHBondContact O-N 2.71Å; D228-V249 HydrophobicContact CB-CG1 4.49Å; D228-K252 HydrophobicContact CB-CB 4.47Å; D228-K252 HydrophobicContact CB-CD 4.01Å; D228-K252 HydrophobicContact CB-CG 4.42Å; D228-K252 WeakPolarHBondContact OD1-CD 3.45Å; D228-K252 WeakPolarHBondContact OD1-CE 3.49Å; D228-K252 IonicContact OD1-NZ 2.8Å; D228-K252 PolarHBondContact OD1-NZ 3.36Å; D228-V253 HydrophobicContact CB-CG2 3.88Å; D228-V253 WeakPolarHBondContact OD2-CG2 3.4Å; D228-R256 VanDerWaalsContact CG-NH2 3.35Å; D228-R256 IonicContact OD1-CZ 2.75Å; D228-R256 IonicContact OD1-NE 2.64Å; D228-R256 IonicContact OD1-NH2 2.73Å; D228-R256 PolarHBondContact OD1-NH2 3.29Å; D228-R256 IonicContact OD2-CZ 2.76Å; D228-R256 IonicContact OD2-NE 2.69Å; D228-R256 PolarHBondContact OD2-NE 3.19Å; D228-R256 IonicContact OD2-NH2 3.96Å; D228-R256 PolarHBondContact OD2-NH2 3.38Å |
| 229 | L | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 170.2 | 178 | 63 | 0 | 0 | 0 | 111.1 | I161 Y225 I226 E231 L232 L233 L245 L246 V249 | I161-L229 HydrophobicContact CD1-CD2 4.19Å; I161-L229 HydrophobicContact CG2-CD2 4.25Å; Y225-L229 HydrophobicContact CE1-CD2 4.13Å; Y225-L229 WeakPolarHBondContact O-CB 3.35Å; Y225-L229 PolarHBondContact O-N 3.06Å; I226-L229 HydrophobicContact CD1-CD2 4.3Å; L229-E231 PolarHBondContact O-N 3.25Å; L229-L232 PolarHBondContact O-N 2.76Å; L229-L233 HydrophobicContact CD1-CD1 3.99Å; L229-L233 HydrophobicContact CD1-CG 4.06Å; L229-L233 HydrophobicContact CG-CD1 3.86Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 VanDerWaalsContact O-CB 3.31Å; L229-L233 WeakPolarHBondContact O-CB 3.39Å; L229-L233 WeakPolarHBondContact O-CG 3.25Å; L229-L233 PolarHBondContact O-N 2.86Å; L229-L245 HydrophobicContact CD1-CD2 4.06Å; L229-L246 HydrophobicContact CD1-CD2 4.21Å; L229-V249 HydrophobicContact CB-CG1 4.43Å; L229-V249 HydrophobicContact CB-CG2 4.28Å; L229-V249 HydrophobicContact CD1-CG2 3.97Å |
| 230 | C | 98.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.9 | -34.4 | -178.5 | -71 | 0 | 0 | 0 | 0 | 113.2 | N75 R79 I226 Q227 R234 | N75-C230 VanDerWaalsContact C-SG 3.6Å; N75-C230 HydrophobicContact CB-CB 4.21Å; R79-C230 WeakPolarHBondContact CD-O 3.32Å; R79-C230 HydrophobicContact CG-CB 3.9Å; I226-C230 WeakPolarHBondContact O-CB 3.35Å; I226-C230 PolarHBondContact O-N 2.83Å; I226-C230 PolarHBondContact O-SG 2.76Å; Q227-C230 PolarHBondContact O-N 3.18Å; C230-R234 WeakPolarHBondContact O-CB 3.37Å; C230-R234 PolarHBondContact O-N 3.38Å |
| 231 | E | 97.9 | Very high | 96.3 | Very high | 99 Ų | 99 | 37.1 Ų | 37.1 | 46% | 0.463 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -69.7 | -41.6 | 175.5 | -166.5 | -166.5 | 100 | 0 | 0 | 112.1 | Q227 D228 L229 R234 T235 K252 | Q227-E231 PolarHBondContact O-N 3.09Å; D228-E231 PolarHBondContact O-N 3.46Å; L229-E231 PolarHBondContact O-N 3.25Å; E231-R234 WeakPolarHBondContact O-CB 3.3Å; E231-R234 PolarHBondContact O-N 2.98Å; E231-T235 PolarHBondContact O-N 3.32Å; E231-T235 VanDerWaalsContact O-N 3.09Å; E231-T235 PolarHBondContact O-OG1 2.85Å; E231-K252 IonicContact OE1-NZ 3.55Å; E231-K252 PolarHBondContact OE1-NZ 3.31Å; E231-K252 IonicContact OE2-NZ 3.27Å; E231-K252 PolarHBondContact OE2-NZ 2.87Å |
| 232 | L | 98.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.4 | -36.2 | 177.6 | -71.2 | 167.9 | 0 | 0 | 0 | 111.8 | D228 L229 R234 T235 Y236 G237 L245 L248 V249 | D228-L232 WeakPolarHBondContact O-CB 3.2Å; D228-L232 WeakPolarHBondContact O-CG 3.34Å; D228-L232 PolarHBondContact O-N 2.71Å; L229-L232 PolarHBondContact O-N 2.76Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 2.63Å; L232-T235 PolarHBondContact O-N 2.85Å; L232-Y236 HydrophobicContact CD2-CD2 3.74Å; L232-Y236 HydrophobicContact CD2-CE2 3.82Å; L232-Y236 WeakPolarHBondContact O-CA 3.2Å; L232-Y236 WeakPolarHBondContact O-CB 3.35Å; L232-Y236 PolarHBondContact O-N 3.4Å; L232-G237 PolarHBondContact O-N 2.84Å; L232-L245 HydrophobicContact CB-CD2 4.23Å; L232-L245 HydrophobicContact CB-CG 4.27Å; L232-L248 HydrophobicContact CD1-CB 3.79Å; L232-L248 HydrophobicContact CD2-CB 4.17Å; L232-L248 HydrophobicContact CD2-CD1 4.33Å; L232-V249 HydrophobicContact CB-CG2 4.37Å; L232-V249 HydrophobicContact CD1-CB 4.19Å; L232-V249 HydrophobicContact CD1-CG2 3.56Å |
| 233 | L | 97.8 | Very high | 96.9 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 169.2 | -73.7 | 172.3 | 0 | 0 | 0 | 112 | R79 L83 L229 T235 G237 F242 L245 | R79-L233 HydrophobicContact CB-CB 4.23Å; R79-L233 HydrophobicContact CB-CD1 4.28Å; R79-L233 HydrophobicContact CG-CB 4.41Å; L83-L233 HydrophobicContact CD1-CD2 4.04Å; L229-L233 HydrophobicContact CD1-CD1 3.99Å; L229-L233 HydrophobicContact CD1-CG 4.06Å; L229-L233 HydrophobicContact CG-CD1 3.86Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 VanDerWaalsContact O-CB 3.31Å; L229-L233 WeakPolarHBondContact O-CB 3.39Å; L229-L233 WeakPolarHBondContact O-CG 3.25Å; L229-L233 PolarHBondContact O-N 2.86Å; L233-T235 VanDerWaalsContact C-N 3.33Å; L233-T235 PolarHBondContact O-N 2.78Å; L233-G237 VanDerWaalsContact O-CA 3.28Å; L233-G237 WeakPolarHBondContact O-CA 3.24Å; L233-G237 PolarHBondContact O-N 2.9Å; L233-F242 HydrophobicContact CD2-CE2 4.38Å; L233-L245 HydrophobicContact CD2-CD1 4.02Å; L233-L245 HydrophobicContact CD2-CD2 4.14Å; L233-L245 HydrophobicContact CG-CD2 4.38Å |
| 234 | R | 97 | Very high | 97.1 | Very high | 172 Ų | 172 | 40.5 Ų | 40.5 | 65% | 0.649 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60.8 | -41.5 | 175.2 | -179.3 | 179.7 | -177.9 | -174.4 | -1.2 | 112.5 | C230 E231 L232 | C230-R234 WeakPolarHBondContact O-CB 3.37Å; C230-R234 PolarHBondContact O-N 3.38Å; E231-R234 WeakPolarHBondContact O-CB 3.3Å; E231-R234 PolarHBondContact O-N 2.98Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 2.63Å |
| 235 | T | 97 | Very high | 97.3 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 47% | 0.466 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -87.5 | -36.3 | -170.5 | -49.5 | 0 | 0 | 0 | 0 | 112.3 | E231 L232 L233 | E231-T235 PolarHBondContact O-N 3.32Å; E231-T235 VanDerWaalsContact O-N 3.09Å; E231-T235 PolarHBondContact O-OG1 2.85Å; L232-T235 PolarHBondContact O-N 2.85Å; L233-T235 VanDerWaalsContact C-N 3.33Å; L233-T235 PolarHBondContact O-N 2.78Å |
| 236 | Y | 97.6 | Very high | 97.4 | Very high | 98 Ų | 98 | 40.1 Ų | 40.1 | 38% | 0.384 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -132.6 | -7.1 | -167.8 | -57.7 | -64.6 | 0 | 0 | 0 | 114.7 | L232 S238 S239 L240 L248 | L232-Y236 HydrophobicContact CD2-CD2 3.74Å; L232-Y236 HydrophobicContact CD2-CE2 3.82Å; L232-Y236 WeakPolarHBondContact O-CA 3.2Å; L232-Y236 WeakPolarHBondContact O-CB 3.35Å; L232-Y236 PolarHBondContact O-N 3.4Å; Y236-S238 PolarHBondContact O-N 2.93Å; Y236-S238 VanDerWaalsContact O-N 3.1Å; Y236-S239 PolarHBondContact O-N 2.89Å; Y236-S239 PolarHBondContact O-OG 2.91Å; Y236-L240 HydrophobicContact CD1-CD1 4.08Å; Y236-L240 HydrophobicContact CD1-CG 4.3Å; Y236-L240 HydrophobicContact CD2-CD1 4.34Å; Y236-L240 HydrophobicContact CG-CD1 3.77Å; Y236-L240 HydrophobicContact CG-CG 4.26Å; Y236-L240 PolarHBondContact O-N 3.37Å; Y236-L248 HydrophobicContact CD2-CD1 4.27Å; Y236-L248 HydrophobicContact CE2-CD1 4.44Å |
| 237 | G | 95.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -26.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L232 L233 F285 | L232-G237 PolarHBondContact O-N 2.84Å; L233-G237 VanDerWaalsContact O-CA 3.28Å; L233-G237 WeakPolarHBondContact O-CA 3.24Å; L233-G237 PolarHBondContact O-N 2.9Å; G237-F285 WeakPolarHBondContact O-CB 3.15Å |
| 238 | S | 94.7 | Very high | 97.4 | Very high | 56 Ų | 56 | 43.7 Ų | 43.7 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -2.8 | 178 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | Y236 | Y236-S238 PolarHBondContact O-N 2.93Å; Y236-S238 VanDerWaalsContact O-N 3.1Å |
| 239 | S | 94.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 48% | 0.476 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | -41.2 | -170.6 | 58.1 | 0 | 0 | 0 | 0 | 115.3 | Y236 | Y236-S239 PolarHBondContact O-N 2.89Å; Y236-S239 PolarHBondContact O-OG 2.91Å |
| 240 | L | 97.3 | Very high | 97.3 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -81.4 | 159.8 | 177.4 | -72.8 | -176 | 0 | 0 | 0 | 112.5 | Y236 L248 Y284 | Y236-L240 HydrophobicContact CD1-CD1 4.08Å; Y236-L240 HydrophobicContact CD1-CG 4.3Å; Y236-L240 HydrophobicContact CD2-CD1 4.34Å; Y236-L240 HydrophobicContact CG-CD1 3.77Å; Y236-L240 HydrophobicContact CG-CG 4.26Å; Y236-L240 PolarHBondContact O-N 3.37Å; L240-L248 HydrophobicContact CD1-CD1 3.57Å; L240-Y284 WeakPolarHBondContact O-CD1 3.41Å |
| 241 | E | 98.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | trans | -69.4 | 143.4 | 167.7 | -157.5 | -72.3 | 139.9 | 0 | 0 | 108.8 | T243 E244 L245 K282 L283 Y284 | E241-T243 PolarHBondContact O-N 2.95Å; E241-T243 WeakPolarHBondContact OE2-CA 3.4Å; E241-T243 VanDerWaalsContact OE2-CB 3.27Å; E241-T243 WeakPolarHBondContact OE2-CB 3.45Å; E241-T243 PolarHBondContact OE2-N 3.44Å; E241-T243 PolarHBondContact OE2-OG1 2.69Å; E241-E244 HydrophobicContact CB-CB 4.22Å; E241-E244 HydrophobicContact CB-CG 3.92Å; E241-E244 WeakPolarHBondContact O-CB 3.48Å; E241-E244 PolarHBondContact O-N 2.98Å; E241-E244 PolarHBondContact OE2-N 3.24Å; E241-L245 PolarHBondContact O-N 3.37Å; E241-K282 HydrophobicContact CG-CB 3.9Å; E241-K282 HydrophobicContact CG-CG 4.31Å; E241-L283 CarbonylContact C-O 3.52Å; E241-L283 WeakPolarHBondContact CA-O 3.01Å; E241-L283 PolarHBondContact OE1-N 3.2Å; E241-Y284 VanDerWaalsContact CA-CE1 3.47Å; E241-Y284 HydrophobicContact CB-CD1 4.25Å; E241-Y284 HydrophobicContact CB-CE1 3.57Å; E241-Y284 HydrophobicContact CB-CE2 4.48Å; E241-Y284 HydrophobicContact CG-CE1 4.09Å; E241-Y284 HydrophobicContact CG-CE2 4.11Å; E241-Y284 VanDerWaalsContact N-CE1 3.28Å | ||
| 242 | F | 98.3 | Very high | 97 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -35.8 | -169.7 | -174.3 | -121.4 | 0 | 0 | 0 | 113.5 | I159 I204 L233 L245 L246 L283 F285 | I159-F242 HydrophobicContact CG2-CE1 3.91Å; I159-F242 HydrophobicContact CG2-CZ 4.09Å; I204-F242 HydrophobicContact CD1-CD1 4.17Å; I204-F242 HydrophobicContact CD1-CE1 4.29Å; I204-F242 HydrophobicContact CG2-CD1 4.49Å; I204-F242 HydrophobicContact CG2-CE1 4.18Å; L233-F242 HydrophobicContact CD2-CE2 4.38Å; F242-L245 PolarHBondContact O-N 3.27Å; F242-L246 HydrophobicContact CD1-CD1 3.96Å; F242-L246 HydrophobicContact CE1-CD1 3.73Å; F242-L246 HydrophobicContact CE1-CG 4.33Å; F242-L246 HydrophobicContact CE2-CG 4.49Å; F242-L246 HydrophobicContact CZ-CD1 4.15Å; F242-L246 HydrophobicContact CZ-CD2 4.27Å; F242-L246 HydrophobicContact CZ-CG 4.3Å; F242-L246 VanDerWaalsContact O-CG 3.28Å; F242-L246 WeakPolarHBondContact O-CG 3.24Å; F242-L246 PolarHBondContact O-N 3.16Å; F242-L283 HydrophobicContact CB-CB 4.11Å; F242-L283 HydrophobicContact CB-CD2 3.98Å; F242-L283 HydrophobicContact CB-CG 3.91Å; F242-L283 HydrophobicContact CD1-CD2 3.89Å; F242-L283 HydrophobicContact CG-CD2 4.18Å; F242-L283 PolarHBondContact N-O 3.11Å; F242-F285 HydrophobicContact CB-CE2 4.14Å; F242-F285 HydrophobicContact CD2-CD2 4.34Å; F242-F285 AromaticContact CD2-CE2 3.67Å; F242-F285 HydrophobicContact CD2-CE2 3.67Å; F242-F285 HydrophobicContact CE2-CE2 4.18Å; F242-F285 AromaticContact CG-CE2 3.88Å; F242-F285 HydrophobicContact CG-CE2 3.88Å |
| 243 | T | 97.7 | Very high | 96.8 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.9 | -31.4 | 175.7 | 73.9 | 0 | 0 | 0 | 0 | 112.6 | I204 E241 L246 T247 F275 L279 | I204-T243 HydrophobicContact CD1-CG2 3.84Å; E241-T243 PolarHBondContact O-N 2.95Å; E241-T243 WeakPolarHBondContact OE2-CA 3.4Å; E241-T243 VanDerWaalsContact OE2-CB 3.27Å; E241-T243 WeakPolarHBondContact OE2-CB 3.45Å; E241-T243 PolarHBondContact OE2-N 3.44Å; E241-T243 PolarHBondContact OE2-OG1 2.69Å; T243-L246 PolarHBondContact O-N 2.83Å; T243-T247 WeakPolarHBondContact O-CB 3.41Å; T243-T247 PolarHBondContact O-N 3.44Å; T243-T247 PolarHBondContact O-OG1 2.61Å; T243-F275 HydrophobicContact CG2-CE2 4.24Å; T243-L279 HydrophobicContact CG2-CD1 4.36Å |
| 244 | E | 98.1 | Very high | 96.5 | Very high | 98 Ų | 98 | 50.6 Ų | 50.6 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 167.6 | -67 | 175.1 | 175.1 | 0 | 0 | 110.5 | E241 T247 L248 | E241-E244 HydrophobicContact CB-CB 4.22Å; E241-E244 HydrophobicContact CB-CG 3.92Å; E241-E244 WeakPolarHBondContact O-CB 3.48Å; E241-E244 PolarHBondContact O-N 2.98Å; E241-E244 PolarHBondContact OE2-N 3.24Å; E244-T247 WeakPolarHBondContact O-CB 3.5Å; E244-T247 PolarHBondContact O-N 3.05Å; E244-T247 VanDerWaalsContact O-N 3.16Å; E244-L248 PolarHBondContact O-N 2.99Å |
| 245 | L | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 175.5 | -173.7 | 154.3 | 0 | 0 | 0 | 111.6 | L229 L232 L233 E241 F242 T247 L248 V249 | L229-L245 HydrophobicContact CD1-CD2 4.06Å; L232-L245 HydrophobicContact CB-CD2 4.23Å; L232-L245 HydrophobicContact CB-CG 4.27Å; L233-L245 HydrophobicContact CD2-CD1 4.02Å; L233-L245 HydrophobicContact CD2-CD2 4.14Å; L233-L245 HydrophobicContact CG-CD2 4.38Å; E241-L245 PolarHBondContact O-N 3.37Å; F242-L245 PolarHBondContact O-N 3.27Å; L245-T247 PolarHBondContact O-N 3.47Å; L245-L248 WeakPolarHBondContact O-CA 3.22Å; L245-L248 WeakPolarHBondContact O-CB 3.42Å; L245-L248 PolarHBondContact O-N 3.11Å; L245-V249 HydrophobicContact CD2-CG2 4.11Å; L245-V249 WeakPolarHBondContact O-CG2 3.34Å; L245-V249 PolarHBondContact O-N 3.2Å |
| 246 | L | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -33.4 | 174.6 | -69.5 | 169.4 | 0 | 0 | 0 | 112.2 | I204 C206 L229 F242 T243 L248 V249 N250 F275 | I204-L246 HydrophobicContact CD1-CD1 3.65Å; C206-L246 HydrophobicContact CB-CD2 4.37Å; C206-L246 VanDerWaalsContact SG-CD1 3.52Å; L229-L246 HydrophobicContact CD1-CD2 4.21Å; F242-L246 HydrophobicContact CD1-CD1 3.96Å; F242-L246 HydrophobicContact CE1-CD1 3.73Å; F242-L246 HydrophobicContact CE1-CG 4.33Å; F242-L246 HydrophobicContact CE2-CG 4.49Å; F242-L246 HydrophobicContact CZ-CD1 4.15Å; F242-L246 HydrophobicContact CZ-CD2 4.27Å; F242-L246 HydrophobicContact CZ-CG 4.3Å; F242-L246 VanDerWaalsContact O-CG 3.28Å; F242-L246 WeakPolarHBondContact O-CG 3.24Å; F242-L246 PolarHBondContact O-N 3.16Å; T243-L246 PolarHBondContact O-N 2.83Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 2.92Å; L246-V249 WeakPolarHBondContact O-CB 3.28Å; L246-V249 PolarHBondContact O-N 3.19Å; L246-V249 VanDerWaalsContact O-N 3.15Å; L246-N250 PolarHBondContact O-N 3.19Å; L246-N250 PolarHBondContact O-OD1 3.3Å; L246-N250 VanDerWaalsContact O-OD1 3.14Å; L246-F275 HydrophobicContact CB-CD1 3.62Å; L246-F275 HydrophobicContact CB-CE1 3.65Å; L246-F275 HydrophobicContact CB-CG 4.29Å; L246-F275 HydrophobicContact CB-CZ 4.33Å; L246-F275 HydrophobicContact CD1-CB 4.17Å; L246-F275 HydrophobicContact CD1-CD1 4.16Å; L246-F275 HydrophobicContact CD1-CD2 4.33Å; L246-F275 HydrophobicContact CD1-CG 3.97Å; L246-F275 HydrophobicContact CG-CD1 4.47Å |
| 247 | T | 97.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 173.7 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | T243 E244 L245 N250 R251 | T243-T247 WeakPolarHBondContact O-CB 3.41Å; T243-T247 PolarHBondContact O-N 3.44Å; T243-T247 PolarHBondContact O-OG1 2.61Å; E244-T247 WeakPolarHBondContact O-CB 3.5Å; E244-T247 PolarHBondContact O-N 3.05Å; E244-T247 VanDerWaalsContact O-N 3.16Å; L245-T247 PolarHBondContact O-N 3.47Å; T247-N250 PolarHBondContact O-N 2.77Å; T247-R251 PolarHBondContact O-N 3.23Å; T247-R251 VanDerWaalsContact O-N 3.12Å |
| 248 | L | 98 | Very high | 95.1 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 169.6 | -60.8 | -179.9 | 0 | 0 | 0 | 112 | L232 Y236 L240 E244 L245 L246 R251 K252 | L232-L248 HydrophobicContact CD1-CB 3.79Å; L232-L248 HydrophobicContact CD2-CB 4.17Å; L232-L248 HydrophobicContact CD2-CD1 4.33Å; Y236-L248 HydrophobicContact CD2-CD1 4.27Å; Y236-L248 HydrophobicContact CE2-CD1 4.44Å; L240-L248 HydrophobicContact CD1-CD1 3.57Å; E244-L248 PolarHBondContact O-N 2.99Å; L245-L248 WeakPolarHBondContact O-CA 3.22Å; L245-L248 WeakPolarHBondContact O-CB 3.42Å; L245-L248 PolarHBondContact O-N 3.11Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 2.92Å; L248-R251 PolarHBondContact O-N 2.9Å; L248-K252 WeakPolarHBondContact O-CB 3.43Å; L248-K252 PolarHBondContact O-N 3.31Å |
| 249 | V | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 174 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | Y225 D228 L229 L232 L245 L246 R251 K252 V253 | Y225-V249 HydrophobicContact CD2-CG1 3.63Å; Y225-V249 HydrophobicContact CE2-CG1 3.54Å; D228-V249 HydrophobicContact CB-CG1 4.49Å; L229-V249 HydrophobicContact CB-CG1 4.43Å; L229-V249 HydrophobicContact CB-CG2 4.28Å; L229-V249 HydrophobicContact CD1-CG2 3.97Å; L232-V249 HydrophobicContact CB-CG2 4.37Å; L232-V249 HydrophobicContact CD1-CB 4.19Å; L232-V249 HydrophobicContact CD1-CG2 3.56Å; L245-V249 HydrophobicContact CD2-CG2 4.11Å; L245-V249 WeakPolarHBondContact O-CG2 3.34Å; L245-V249 PolarHBondContact O-N 3.2Å; L246-V249 WeakPolarHBondContact O-CB 3.28Å; L246-V249 PolarHBondContact O-N 3.19Å; L246-V249 VanDerWaalsContact O-N 3.15Å; V249-R251 VanDerWaalsContact C-N 3.31Å; V249-R251 PolarHBondContact O-N 3.27Å; V249-K252 PolarHBondContact O-N 3.04Å; V249-K252 VanDerWaalsContact O-N 3.17Å; V249-V253 HydrophobicContact CG1-CG2 4.07Å; V249-V253 WeakPolarHBondContact O-CG2 3.34Å; V249-V253 PolarHBondContact O-N 2.75Å |
| 250 | N | 95.4 | Very high | 93.7 | Very high | 34 Ų | 34 | 48.2 Ų | 48.2 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.5 | -49.8 | 176.8 | -66.8 | 1.1 | 0 | 0 | 0 | 110.9 | L246 T247 K252 S254 P273 | L246-N250 PolarHBondContact O-N 3.19Å; L246-N250 PolarHBondContact O-OD1 3.3Å; L246-N250 VanDerWaalsContact O-OD1 3.14Å; T247-N250 PolarHBondContact O-N 2.77Å; N250-K252 PolarHBondContact O-N 3.01Å; N250-S254 WeakPolarHBondContact O-CB 3.46Å; N250-S254 PolarHBondContact O-N 2.87Å; N250-S254 PolarHBondContact O-OG 3.09Å; N250-P273 PolarHBondContact OD1-O 3.31Å |
| 251 | R | 94.7 | Very high | 92.8 | Very high | 144 Ų | 144 | 46.7 Ų | 46.7 | 54% | 0.543 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 179.3 | -171.8 | 177.5 | 75.3 | -140.4 | 4.2 | 112.7 | T247 L248 V249 S254 M255 | T247-R251 PolarHBondContact O-N 3.23Å; T247-R251 VanDerWaalsContact O-N 3.12Å; L248-R251 PolarHBondContact O-N 2.9Å; V249-R251 VanDerWaalsContact C-N 3.31Å; V249-R251 PolarHBondContact O-N 3.27Å; R251-S254 PolarHBondContact O-OG 3.18Å; R251-M255 HydrophobicContact CG-CE 3.74Å; R251-M255 HydrophobicContact CG-SD 4.34Å; R251-M255 VanDerWaalsContact O-CG 3.28Å; R251-M255 WeakPolarHBondContact O-CG 2.93Å; R251-M255 PolarHBondContact O-N 3.49Å |
| 252 | K | 96.4 | Very high | 91.9 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 24% | 0.239 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.3 | -44 | -176.5 | -166.1 | 179.3 | 173.9 | -152.6 | 0 | 111.6 | D228 E231 L248 V249 N250 S254 M255 | D228-K252 HydrophobicContact CB-CB 4.47Å; D228-K252 HydrophobicContact CB-CD 4.01Å; D228-K252 HydrophobicContact CB-CG 4.42Å; D228-K252 WeakPolarHBondContact OD1-CD 3.45Å; D228-K252 WeakPolarHBondContact OD1-CE 3.49Å; D228-K252 IonicContact OD1-NZ 2.8Å; D228-K252 PolarHBondContact OD1-NZ 3.36Å; E231-K252 IonicContact OE1-NZ 3.55Å; E231-K252 PolarHBondContact OE1-NZ 3.31Å; E231-K252 IonicContact OE2-NZ 3.27Å; E231-K252 PolarHBondContact OE2-NZ 2.87Å; L248-K252 WeakPolarHBondContact O-CB 3.43Å; L248-K252 PolarHBondContact O-N 3.31Å; V249-K252 PolarHBondContact O-N 3.04Å; V249-K252 VanDerWaalsContact O-N 3.17Å; N250-K252 PolarHBondContact O-N 3.01Å; K252-S254 VanDerWaalsContact C-N 3.34Å; K252-S254 PolarHBondContact O-N 3.01Å; K252-M255 WeakPolarHBondContact O-CB 3.08Å; K252-M255 PolarHBondContact O-N 3.12Å |
| 253 | V | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 177.2 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | W224 D228 V249 M255 R256 Q271 P273 | W224-V253 HydrophobicContact CB-CG1 4.37Å; D228-V253 HydrophobicContact CB-CG2 3.88Å; D228-V253 WeakPolarHBondContact OD2-CG2 3.4Å; V249-V253 HydrophobicContact CG1-CG2 4.07Å; V249-V253 WeakPolarHBondContact O-CG2 3.34Å; V249-V253 PolarHBondContact O-N 2.75Å; V253-M255 PolarHBondContact O-N 3.11Å; V253-R256 WeakPolarHBondContact O-CB 3.35Å; V253-R256 PolarHBondContact O-N 3.36Å; V253-Q271 CarbonylContact C-O 3.52Å; V253-Q271 HydrophobicContact CG1-CB 3.91Å; V253-Q271 HydrophobicContact CG1-CG 3.79Å; V253-P273 HydrophobicContact CB-CG 3.57Å; V253-P273 HydrophobicContact CG1-CG 3.75Å; V253-P273 HydrophobicContact CG2-CG 3.78Å |
| 254 | S | 90.8 | Very high | 90 | Very high | 44 Ų | 44 | 61.9 Ų | 61.9 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.4 | 175.7 | 71.7 | 0 | 0 | 0 | 0 | 114.7 | N250 R251 K252 Q271 | N250-S254 WeakPolarHBondContact O-CB 3.46Å; N250-S254 PolarHBondContact O-N 2.87Å; N250-S254 PolarHBondContact O-OG 3.09Å; R251-S254 PolarHBondContact O-OG 3.18Å; K252-S254 VanDerWaalsContact C-N 3.34Å; K252-S254 PolarHBondContact O-N 3.01Å; S254-Q271 VanDerWaalsContact CA-O 3.29Å; S254-Q271 WeakPolarHBondContact CA-O 3.36Å; S254-Q271 PolarHBondContact N-O 3.09Å |
| 255 | M | 90.8 | Very high | 89.1 | Confident | 137 Ų | 137 | 60.1 Ų | 60.1 | 68% | 0.675 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -9 | 172.8 | -70.6 | 168.8 | 172.5 | 0 | 0 | 112.8 | R251 K252 V253 | R251-M255 HydrophobicContact CG-CE 3.74Å; R251-M255 HydrophobicContact CG-SD 4.34Å; R251-M255 VanDerWaalsContact O-CG 3.28Å; R251-M255 WeakPolarHBondContact O-CG 2.93Å; R251-M255 PolarHBondContact O-N 3.49Å; K252-M255 WeakPolarHBondContact O-CB 3.08Å; K252-M255 PolarHBondContact O-N 3.12Å; V253-M255 PolarHBondContact O-N 3.11Å |
| 256 | R | 92 | Very high | 88.1 | Confident | 53 Ų | 53 | 60 Ų | 60 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | trans | -82 | 151.1 | 173.5 | -63.3 | 179.5 | 174.8 | -119.8 | 3.7 | 110.7 | E218 W224 D228 V253 | E218-R256 IonicContact OE1-NH1 2.78Å; W224-R256 HydrophobicContact CD2-CB 4.07Å; W224-R256 HydrophobicContact CD2-CG 4.48Å; W224-R256 HydrophobicContact CE3-CB 3.66Å; W224-R256 HydrophobicContact CE3-CG 4.44Å; W224-R256 VanDerWaalsContact CG-CD 3.48Å; W224-R256 HydrophobicContact CH2-CB 4.17Å; W224-R256 HydrophobicContact CZ3-CB 3.73Å; D228-R256 VanDerWaalsContact CG-NH2 3.35Å; D228-R256 IonicContact OD1-CZ 2.75Å; D228-R256 IonicContact OD1-NE 2.64Å; D228-R256 IonicContact OD1-NH2 2.73Å; D228-R256 PolarHBondContact OD1-NH2 3.29Å; D228-R256 IonicContact OD2-CZ 2.76Å; D228-R256 IonicContact OD2-NE 2.69Å; D228-R256 PolarHBondContact OD2-NE 3.19Å; D228-R256 IonicContact OD2-NH2 3.96Å; D228-R256 PolarHBondContact OD2-NH2 3.38Å; V253-R256 WeakPolarHBondContact O-CB 3.35Å; V253-R256 PolarHBondContact O-N 3.36Å | ||
| 257 | E | 88.6 | Confident | 87.6 | Confident | 120 Ų | 120 | 63.6 Ų | 63.6 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | trans | -143.6 | 152.2 | 174.7 | 63.8 | -169.9 | -170.5 | 0 | 0 | 110.1 | W224 G259 K269 | W224-E257 VanDerWaalsContact CH2-C 3.47Å; E257-G259 PolarHBondContact O-N 3.31Å; E257-K269 WeakPolarHBondContact CA-O 3.42Å | ||
| 258 | V | 85.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | trans | -75.3 | 97.8 | -179 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | T187 H216 W224 C261 A266 I267 G268 K269 | T187-V258 HydrophobicContact CG2-CG2 4.32Å; H216-V258 WeakPolarHBondContact CD2-CG2 3.4Å; H216-V258 WeakPolarHBondContact NE2-CG2 3.14Å; W224-V258 HydrophobicContact CH2-CB 4.44Å; W224-V258 HydrophobicContact CH2-CG2 3.63Å; W224-V258 HydrophobicContact CZ2-CG2 4.19Å; V258-C261 HydrophobicContact CG1-CB 3.68Å; V258-A266 WeakPolarHBondContact CB-O 3.34Å; V258-A266 HydrophobicContact CG1-CB 4.47Å; V258-A266 WeakPolarHBondContact CG1-O 3.31Å; V258-I267 WeakPolarHBondContact O-CA 3.47Å; V258-G268 PolarHBondContact O-N 2.75Å; V258-K269 HydrophobicContact CG2-CB 4.3Å; V258-K269 PolarHBondContact N-O 2.8Å; V258-K269 VanDerWaalsContact N-O 3.1Å | ||
| 259 | G | 81 | Confident | 86.1 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 67% | 0.67 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -75.5 | -30.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | E257 | E257-G259 PolarHBondContact O-N 3.31Š|
| 260 | N | 80.1 | Confident | 85.6 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | trans | -146.1 | 122.8 | -178.1 | 172.4 | 61.4 | 0 | 0 | 0 | 112 | T184 N185 T187 | T184-N260 WeakPolarHBondContact CB-ND2 3.47Å; T184-N260 HydrophobicContact CG2-CB 4.43Å; T184-N260 PolarHBondContact OG1-ND2 3.5Å; N185-N260 PolarHBondContact O-ND2 3.23Å; N185-N260 VanDerWaalsContact O-ND2 3.11Å; T187-N260 WeakPolarHBondContact CB-O 3.44Å; T187-N260 PolarHBondContact N-O 3.18Å; T187-N260 PolarHBondContact OG1-O 2.91Å | ||
| 261 | C | 79 | Confident | 85.2 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | trans | -149 | 151.7 | 174.8 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | T187 V258 D263 A266 | T187-C261 PolarHBondContact O-SG 3.23Å; V258-C261 HydrophobicContact CG1-CB 3.68Å; C261-D263 VanDerWaalsContact C-N 3.28Å; C261-D263 PolarHBondContact SG-N 2.83Å; C261-A266 HydrophobicContact CB-CB 4Å | ||
| 262 | K | 77.7 | Confident | 85 | Confident | 161 Ų | 161 | 58.5 Ų | 58.5 | 70% | 0.7 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -66 | -31.2 | 171.1 | -76.3 | 179.1 | 168.4 | 135.1 | 0 | 112.8 | E186 | E186-K262 WeakPolarHBondContact OE1-CE 3.38Å; E186-K262 IonicContact OE1-NZ 3.46Å; E186-K262 PolarHBondContact OE1-NZ 2.93Å; E186-K262 WeakPolarHBondContact OE2-CE 3.39Å; E186-K262 IonicContact OE2-NZ 2.72Å; E186-K262 PolarHBondContact OE2-NZ 2.99Å |
| 263 | D | 77.3 | Confident | 84.8 | Confident | 75 Ų | 75 | 56 Ų | 56 | 40% | 0.401 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -85.2 | 109 | 168.9 | 177.4 | 17.1 | 0 | 0 | 0 | 108.9 | C261 S265 A266 | C261-D263 VanDerWaalsContact C-N 3.28Å; C261-D263 PolarHBondContact SG-N 2.83Å; D263-S265 VanDerWaalsContact CG-OG 3.26Å; D263-S265 PolarHBondContact O-N 2.65Å; D263-S265 WeakPolarHBondContact OD1-CA 3.47Å; D263-S265 WeakPolarHBondContact OD1-CB 3.28Å; D263-S265 PolarHBondContact OD1-N 3.05Å; D263-S265 PolarHBondContact OD1-OG 3.19Å; D263-S265 PolarHBondContact OD2-OG 2.95Å; D263-A266 HydrophobicContact CB-CB 4.22Å; D263-A266 WeakPolarHBondContact O-CB 3.46Å; D263-A266 PolarHBondContact O-N 2.86Å |
| 264 | L | 79.9 | Confident | 84.6 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 73% | 0.728 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -61.4 | -25.3 | 175.5 | -63.9 | 175.8 | 0 | 0 | 0 | 112.1 | A266 I267 | L264-A266 PolarHBondContact O-N 3.18Å; L264-I267 HydrophobicContact CD2-CD1 3.68Å; L264-I267 PolarHBondContact O-N 3.31Å |
| 265 | S | 78.8 | Confident | 84.8 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -65.8 | -23.1 | 174.5 | 102 | 0 | 0 | 0 | 0 | 112.2 | D263 K269 | D263-S265 VanDerWaalsContact CG-OG 3.26Å; D263-S265 PolarHBondContact O-N 2.65Å; D263-S265 WeakPolarHBondContact OD1-CA 3.47Å; D263-S265 WeakPolarHBondContact OD1-CB 3.28Å; D263-S265 PolarHBondContact OD1-N 3.05Å; D263-S265 PolarHBondContact OD1-OG 3.19Å; D263-S265 PolarHBondContact OD2-OG 2.95Å; S265-K269 WeakPolarHBondContact O-CE 3.49Å; S265-K269 PolarHBondContact O-NZ 2.75Å; S265-K269 PolarHBondContact OG-NZ 2.73Å; S265-K269 VanDerWaalsContact OG-NZ 3.11Å |
| 266 | A | 78.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -82.5 | -15.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V189 V258 C261 D263 L264 G268 K269 | V189-A266 HydrophobicContact CG2-CB 3.61Å; V258-A266 WeakPolarHBondContact CB-O 3.34Å; V258-A266 HydrophobicContact CG1-CB 4.47Å; V258-A266 WeakPolarHBondContact CG1-O 3.31Å; C261-A266 HydrophobicContact CB-CB 4Å; D263-A266 HydrophobicContact CB-CB 4.22Å; D263-A266 WeakPolarHBondContact O-CB 3.46Å; D263-A266 PolarHBondContact O-N 2.86Å; L264-A266 PolarHBondContact O-N 3.18Å; A266-G268 PolarHBondContact O-N 3.46Å; A266-K269 VanDerWaalsContact O-CB 3.29Å; A266-K269 WeakPolarHBondContact O-CB 3.49Å; A266-K269 WeakPolarHBondContact O-CG 3.17Å; A266-K269 PolarHBondContact O-N 3.12Å; A266-K269 VanDerWaalsContact O-N 3.09Å |
| 267 | I | 85.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 134.3 | -177.6 | -63.9 | 175.3 | 0 | 0 | 0 | 110.2 | V258 L264 K269 | V258-I267 WeakPolarHBondContact O-CA 3.47Å; L264-I267 HydrophobicContact CD2-CD1 3.68Å; L264-I267 PolarHBondContact O-N 3.31Å; I267-K269 PolarHBondContact O-N 3.49Å |
| 268 | G | 82.2 | Confident | 85.1 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -10 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P173 V258 A266 | P173-G268 WeakPolarHBondContact CB-O 3.3Å; V258-G268 PolarHBondContact O-N 2.75Å; A266-G268 PolarHBondContact O-N 3.46Å |
| 269 | K | 83.8 | Confident | 85.5 | Confident | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | trans | -59.6 | 149.7 | 177.1 | -68.3 | -169.9 | -178.6 | 146.8 | 0 | 111.4 | H170 E257 V258 S265 A266 I267 | H170-K269 HydrophobicContact CB-CD 4.42Å; H170-K269 PolarHBondContact CD2-NZ 2.81Å; H170-K269 VanDerWaalsContact CD2-NZ 3.31Å; H170-K269 PolarHBondContact CE1-NZ 2.68Å; H170-K269 PolarHBondContact ND1-NZ 2.89Å; H170-K269 VanDerWaalsContact ND1-NZ 3.12Å; H170-K269 PolarHBondContact NE2-NZ 3.23Å; E257-K269 WeakPolarHBondContact CA-O 3.42Å; V258-K269 HydrophobicContact CG2-CB 4.3Å; V258-K269 PolarHBondContact N-O 2.8Å; V258-K269 VanDerWaalsContact N-O 3.1Å; S265-K269 WeakPolarHBondContact O-CE 3.49Å; S265-K269 PolarHBondContact O-NZ 2.75Å; S265-K269 PolarHBondContact OG-NZ 2.73Å; S265-K269 VanDerWaalsContact OG-NZ 3.11Å; A266-K269 VanDerWaalsContact O-CB 3.29Å; A266-K269 WeakPolarHBondContact O-CB 3.49Å; A266-K269 WeakPolarHBondContact O-CG 3.17Å; A266-K269 PolarHBondContact O-N 3.12Å; A266-K269 VanDerWaalsContact O-N 3.09Å; I267-K269 PolarHBondContact O-N 3.49Å | ||
| 270 | K | 87.1 | Confident | 86.1 | Confident | 88 Ų | 88 | 51 Ų | 51 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | trans | -117.8 | 173.1 | -175.1 | -60.9 | -164.9 | 174.8 | -171.3 | 0 | 111 | H216 | H216-K270 PolarHBondContact CE1-O 3.35Š| ||
| 271 | Q | 86.5 | Confident | 86.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | trans | -142.8 | 131.8 | 177.8 | 179.5 | 176.7 | -26.2 | 0 | 0 | 109.6 | S208 V209 S215 H216 W224 V253 S254 | S208-Q271 PolarHBondContact O-NE2 3.44Å; V209-Q271 HydrophobicContact CB-CG 4.14Å; V209-Q271 HydrophobicContact CG2-CG 4.13Å; S215-Q271 PolarHBondContact OG-NE2 3.43Å; H216-Q271 PolarHBondContact ND1-OE1 3.23Å; W224-Q271 HydrophobicContact CE3-CB 4.19Å; W224-Q271 HydrophobicContact CZ3-CB 4.34Å; V253-Q271 CarbonylContact C-O 3.52Å; V253-Q271 HydrophobicContact CG1-CB 3.91Å; V253-Q271 HydrophobicContact CG1-CG 3.79Å; S254-Q271 VanDerWaalsContact CA-O 3.29Å; S254-Q271 WeakPolarHBondContact CA-O 3.36Å; S254-Q271 PolarHBondContact N-O 3.09Å | ||
| 272 | V | 89.3 | Confident | 87.7 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | trans | -121.3 | 107.9 | 174 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | V209 A210 | V209-V272 CarbonylContact C-O 3.59Å; V209-V272 VanDerWaalsContact C-O 3.32Å; V209-V272 VanDerWaalsContact CA-O 3.29Å; V209-V272 WeakPolarHBondContact CA-O 3.18Å; A210-V272 PolarHBondContact N-O 3.5Å | ||
| 273 | P | 92.2 | Very high | 88.7 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.019 | 26% | 0.26 | C | S | . | . | trans | -62.9 | 160.7 | 171.5 | -15.1 | 26.2 | 0 | 0 | 0 | 112.3 | S208 Y225 N250 V253 | S208-P273 WeakPolarHBondContact O-CA 3.36Å; S208-P273 WeakPolarHBondContact O-CB 3.28Å; S208-P273 WeakPolarHBondContact O-CG 3.16Å; Y225-P273 HydrophobicContact CD2-CB 3.65Å; Y225-P273 HydrophobicContact CD2-CG 3.64Å; Y225-P273 HydrophobicContact CE2-CB 3.69Å; Y225-P273 HydrophobicContact CE2-CG 4.14Å; N250-P273 PolarHBondContact OD1-O 3.31Å; V253-P273 HydrophobicContact CB-CG 3.57Å; V253-P273 HydrophobicContact CG1-CG 3.75Å; V253-P273 HydrophobicContact CG2-CG 3.78Å | ||
| 274 | C | 91.6 | Very high | 89.7 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 157.8 | 174.1 | 73.1 | 0 | 0 | 0 | 0 | 111.7 | R166 Y207 V209 A210 | R166-C274 PolarHBondContact NH1-SG 2.77Å; Y207-C274 PolarHBondContact N-O 2.99Å; Y207-C274 PolarHBondContact O-N 3.03Å; Y207-C274 VanDerWaalsContact O-O 3.08Å; V209-C274 PolarHBondContact O-SG 3.34Å; A210-C274 HydrophobicContact CB-CB 4.48Å |
| 275 | F | 93.4 | Very high | 90.5 | Very high | 56 Ų | 56 | 39.2 Ų | 39.2 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.6 | 171.7 | 60.5 | -90 | 0 | 0 | 0 | 111 | I204 M205 T243 L246 | I204-F275 HydrophobicContact CD1-CD2 4.18Å; M205-F275 CarbonylContact O-C 3.55Å; M205-F275 WeakPolarHBondContact O-CA 3.49Å; M205-F275 WeakPolarHBondContact O-CB 3.38Å; T243-F275 HydrophobicContact CG2-CE2 4.24Å; L246-F275 HydrophobicContact CB-CD1 3.62Å; L246-F275 HydrophobicContact CB-CE1 3.65Å; L246-F275 HydrophobicContact CB-CG 4.29Å; L246-F275 HydrophobicContact CB-CZ 4.33Å; L246-F275 HydrophobicContact CD1-CB 4.17Å; L246-F275 HydrophobicContact CD1-CD1 4.16Å; L246-F275 HydrophobicContact CD1-CD2 4.33Å; L246-F275 HydrophobicContact CD1-CG 3.97Å; L246-F275 HydrophobicContact CG-CD1 4.47Å |
| 276 | A | 91.4 | Very high | 91.3 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | T196 I204 M205 M278 | T196-A276 HydrophobicContact CG2-CB 4.28Å; I204-A276 WeakPolarHBondContact CA-O 3.29Å; M205-A276 HydrophobicContact CB-CB 4.39Å; M205-A276 PolarHBondContact N-O 3.04Å; M205-A276 PolarHBondContact O-N 3.1Å; A276-M278 HydrophobicContact CB-SD 4.41Å |
| 277 | S | 92.4 | Very high | 92.1 | Very high | 56 Ų | 56 | 46 Ų | 46 | 39% | 0.392 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.7 | -179 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | L279 | S277-L279 WeakPolarHBondContact OG-CB 3.34Å; S277-L279 WeakPolarHBondContact OG-CG 3.42Å; S277-L279 PolarHBondContact OG-N 2.64Å |
| 278 | M | 93.6 | Very high | 92.2 | Very high | 42 Ų | 42 | 45 Ų | 45 | 21% | 0.207 | 24% | 0.235 | C | C | . | . | trans | -114.6 | 21.6 | 166 | -65 | 74 | 60.4 | 0 | 0 | 109.9 | A199 G200 D202 F203 M205 A276 | A199-M278 HydrophobicContact CB-CE 3.83Å; G200-M278 WeakPolarHBondContact O-CB 3.17Å; D202-M278 PolarHBondContact N-O 3.08Å; F203-M278 HydrophobicContact CB-CE 3.66Å; F203-M278 CarbonylContact O-C 3.12Å; F203-M278 WeakPolarHBondContact O-CA 3.45Å; F203-M278 PolarHBondContact O-N 3.32Å; M205-M278 HydrophobicContact CG-CE 4.11Å; A276-M278 HydrophobicContact CB-SD 4.41Å | ||
| 279 | L | 94.2 | Very high | 91.5 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | trans | -66.9 | 143 | 171.2 | -60.3 | -177.8 | 0 | 0 | 0 | 110.2 | Y39 P157 F203 I204 T243 S277 L283 | Y39-L279 HydrophobicContact CE2-CB 4.11Å; Y39-L279 HydrophobicContact CE2-CD2 4.01Å; Y39-L279 HydrophobicContact CE2-CG 4.46Å; P157-L279 HydrophobicContact CB-CD2 4.31Å; F203-L279 PolarHBondContact O-N 3.2Å; I204-L279 HydrophobicContact CB-CD1 4.19Å; I204-L279 HydrophobicContact CB-CD2 4.29Å; I204-L279 HydrophobicContact CB-CG 4.07Å; I204-L279 HydrophobicContact CD1-CD1 4.09Å; I204-L279 HydrophobicContact CG2-CD1 4.33Å; I204-L279 HydrophobicContact CG2-CD2 4.39Å; T243-L279 HydrophobicContact CG2-CD1 4.36Å; S277-L279 WeakPolarHBondContact OG-CB 3.34Å; S277-L279 WeakPolarHBondContact OG-CG 3.42Å; S277-L279 PolarHBondContact OG-N 2.64Å; L279-L283 HydrophobicContact CD1-CB 4.32Å; L279-L283 HydrophobicContact CD1-CD2 4.15Å | ||
| 280 | T | 92.9 | Very high | 91.9 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -105.7 | -8.1 | -178.8 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | Y39 D202 | Y39-T280 PolarHBondContact OH-N 2.78Å; Y39-T280 PolarHBondContact OH-OG1 3.29Å; D202-T280 PolarHBondContact OD1-OG1 3.28Å |
| 281 | K | 95.8 | Very high | 92.1 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -146.4 | 165.4 | -175.7 | -55.4 | -176.4 | -173.7 | -162.5 | 0 | 110.3 | E37 Y39 | E37-K281 VanDerWaalsContact CD-CE 3.41Å; E37-K281 VanDerWaalsContact CD-NZ 3.31Å; E37-K281 HydrophobicContact CG-CD 3.97Å; E37-K281 HydrophobicContact CG-CG 4.34Å; E37-K281 VanDerWaalsContact OE1-CE 3.27Å; E37-K281 WeakPolarHBondContact OE1-CE 3.49Å; E37-K281 IonicContact OE1-NZ 2.63Å; E37-K281 PolarHBondContact OE1-NZ 2.75Å; E37-K281 WeakPolarHBondContact OE2-CE 3.35Å; E37-K281 IonicContact OE2-NZ 3.66Å; Y39-K281 HydrophobicContact CD1-CB 4.39Å; Y39-K281 HydrophobicContact CD1-CD 4.37Å; Y39-K281 HydrophobicContact CD2-CB 3.78Å; Y39-K281 HydrophobicContact CE1-CB 4.38Å; Y39-K281 HydrophobicContact CE1-CD 4.5Å; Y39-K281 HydrophobicContact CE2-CB 3.78Å; Y39-K281 WeakPolarHBondContact CE2-O 3.4Å; Y39-K281 HydrophobicContact CG-CB 4.1Å |
| 282 | K | 97.9 | Very high | 92.4 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -70.7 | 142.6 | 175 | -60.3 | -176.5 | -174.8 | -180 | 0 | 111.6 | P35 E37 E38 Y39 E241 Y284 | P35-K282 WeakPolarHBondContact O-CE 3.38Å; P35-K282 PolarHBondContact O-NZ 3.3Å; E37-K282 PolarHBondContact O-N 3.41Å; E38-K282 WeakPolarHBondContact CA-O 3.45Å; E38-K282 HydrophobicContact CG-CB 4.36Å; Y39-K282 PolarHBondContact N-O 2.97Å; E241-K282 HydrophobicContact CG-CB 3.9Å; E241-K282 HydrophobicContact CG-CG 4.31Å; K282-Y284 HydrophobicContact CB-CD2 4.27Å; K282-Y284 HydrophobicContact CB-CE2 3.62Å; K282-Y284 HydrophobicContact CD-CE2 4.25Å |
| 283 | L | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -117.7 | 119.2 | -176.9 | 177.1 | 54.1 | 0 | 0 | 0 | 111.3 | Y39 M41 P157 I159 E241 F242 L279 F285 | Y39-L283 HydrophobicContact CD2-CB 4.28Å; M41-L283 HydrophobicContact CE-CD1 3.76Å; M41-L283 HydrophobicContact CG-CD1 4.34Å; M41-L283 HydrophobicContact SD-CD1 3.7Å; P157-L283 HydrophobicContact CB-CD1 4.25Å; P157-L283 HydrophobicContact CB-CD2 3.91Å; P157-L283 HydrophobicContact CG-CD1 3.65Å; P157-L283 HydrophobicContact CG-CD2 4.16Å; P157-L283 HydrophobicContact CG-CG 4.47Å; I159-L283 HydrophobicContact CD1-CD2 4.16Å; I159-L283 HydrophobicContact CG1-CD2 4.47Å; E241-L283 CarbonylContact C-O 3.52Å; E241-L283 WeakPolarHBondContact CA-O 3.01Å; E241-L283 PolarHBondContact OE1-N 3.2Å; F242-L283 HydrophobicContact CB-CB 4.11Å; F242-L283 HydrophobicContact CB-CD2 3.98Å; F242-L283 HydrophobicContact CB-CG 3.91Å; F242-L283 HydrophobicContact CD1-CD2 3.89Å; F242-L283 HydrophobicContact CG-CD2 4.18Å; F242-L283 PolarHBondContact N-O 3.11Å; L279-L283 HydrophobicContact CD1-CB 4.32Å; L279-L283 HydrophobicContact CD1-CD2 4.15Å; L283-F285 HydrophobicContact CD1-CE1 4.14Å; L283-F285 HydrophobicContact CD1-CE2 4.48Å; L283-F285 HydrophobicContact CD1-CZ 3.96Å; L283-F285 HydrophobicContact CD2-CE2 4.25Å; L283-F285 HydrophobicContact CD2-CZ 3.89Å; L283-F285 HydrophobicContact CG-CE2 4.11Å; L283-F285 HydrophobicContact CG-CZ 3.94Å | ||
| 284 | Y | 98.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 12% | 0.122 | 32% | 0.321 | C | S | . | . | trans | -129.8 | 131.9 | 178.2 | -62.5 | -88 | 0 | 0 | 0 | 111.7 | E38 M41 L240 E241 K282 R286 | E38-Y284 HydrophobicContact CG-CD2 4.27Å; E38-Y284 HydrophobicContact CG-CE2 4.12Å; E38-Y284 WeakPolarHBondContact OE1-CD2 3.22Å; E38-Y284 WeakPolarHBondContact OE1-CE2 3.13Å; M41-Y284 WeakPolarHBondContact CG-O 3.11Å; L240-Y284 WeakPolarHBondContact O-CD1 3.41Å; E241-Y284 VanDerWaalsContact CA-CE1 3.47Å; E241-Y284 HydrophobicContact CB-CD1 4.25Å; E241-Y284 HydrophobicContact CB-CE1 3.57Å; E241-Y284 HydrophobicContact CB-CE2 4.48Å; E241-Y284 HydrophobicContact CG-CE1 4.09Å; E241-Y284 HydrophobicContact CG-CE2 4.11Å; E241-Y284 VanDerWaalsContact N-CE1 3.28Å; K282-Y284 HydrophobicContact CB-CD2 4.27Å; K282-Y284 HydrophobicContact CB-CE2 3.62Å; K282-Y284 HydrophobicContact CD-CE2 4.25Å; Y284-R286 VanDerWaalsContact C-N 3.32Å; Y284-R286 VanDerWaalsContact CD2-NH2 3.28Å; Y284-R286 PolarHBondContact O-N 3.24Å | ||
| 285 | F | 97.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | trans | -95.5 | 46.6 | 176.1 | -58.6 | -74 | 0 | 0 | 0 | 113.1 | M41 L83 F85 I159 G237 F242 L283 | M41-F285 HydrophobicContact CE-CD1 3.63Å; M41-F285 HydrophobicContact CE-CE1 3.53Å; L83-F285 HydrophobicContact CD1-CB 4.39Å; L83-F285 HydrophobicContact CD2-CB 3.95Å; F85-F285 HydrophobicContact CE2-CD1 4.2Å; F85-F285 HydrophobicContact CE2-CE1 4.11Å; F85-F285 HydrophobicContact CZ-CD1 4.25Å; F85-F285 AromaticContact CZ-CE1 3.72Å; F85-F285 HydrophobicContact CZ-CE1 3.72Å; F85-F285 HydrophobicContact CZ-CZ 4.3Å; I159-F285 HydrophobicContact CD1-CE1 4.32Å; I159-F285 HydrophobicContact CD1-CZ 3.64Å; G237-F285 WeakPolarHBondContact O-CB 3.15Å; F242-F285 HydrophobicContact CB-CE2 4.14Å; F242-F285 HydrophobicContact CD2-CD2 4.34Å; F242-F285 AromaticContact CD2-CE2 3.67Å; F242-F285 HydrophobicContact CD2-CE2 3.67Å; F242-F285 HydrophobicContact CE2-CE2 4.18Å; F242-F285 AromaticContact CG-CE2 3.88Å; F242-F285 HydrophobicContact CG-CE2 3.88Å; L283-F285 HydrophobicContact CD1-CE1 4.14Å; L283-F285 HydrophobicContact CD1-CE2 4.48Å; L283-F285 HydrophobicContact CD1-CZ 3.96Å; L283-F285 HydrophobicContact CD2-CE2 4.25Å; L283-F285 HydrophobicContact CD2-CZ 3.89Å; L283-F285 HydrophobicContact CG-CE2 4.11Å; L283-F285 HydrophobicContact CG-CZ 3.94Å | ||
| 286 | R | 96.1 | Very high | 92.7 | Very high | 107 Ų | 107 | 68.1 Ų | 68.1 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 146.2 | 178.2 | -56.1 | -172.9 | -171.5 | 104.2 | -3.2 | 110.8 | E38 R46 Y284 K288 | E38-R286 IonicContact OE1-CZ 3.48Å; E38-R286 IonicContact OE1-NH1 3.42Å; E38-R286 PolarHBondContact OE1-NH1 2.89Å; E38-R286 IonicContact OE1-NH2 3.74Å; E38-R286 PolarHBondContact OE1-NH2 3.18Å; E38-R286 IonicContact OE2-CZ 2.84Å; E38-R286 IonicContact OE2-NH1 2.9Å; E38-R286 PolarHBondContact OE2-NH1 3.4Å; E38-R286 IonicContact OE2-NH2 2.78Å; E38-R286 PolarHBondContact OE2-NH2 3.4Å; R46-R286 PolarHBondContact NH2-O 3.34Å; Y284-R286 VanDerWaalsContact C-N 3.32Å; Y284-R286 VanDerWaalsContact CD2-NH2 3.28Å; Y284-R286 PolarHBondContact O-N 3.24Å; R286-K288 PolarHBondContact O-N 3.01Å |
| 287 | P | 93.8 | Very high | 92.8 | Very high | 95 Ų | 95 | 71.9 Ų | 71.9 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 136.2 | -176.6 | -26.6 | 35.5 | 0 | 0 | 0 | 112 | ||
| 288 | K | 87.9 | Confident | 92.8 | Very high | 55 Ų | 55 | 73.3 Ų | 73.3 | 24% | 0.239 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 142.7 | 176.7 | -59.4 | -168.5 | 73.7 | 68.5 | 0 | 109.6 | R43 K44 R46 N84 D114 R286 | R43-K288 WeakPolarHBondContact O-CE 3.47Å; R43-K288 PolarHBondContact O-NZ 2.63Å; K44-K288 WeakPolarHBondContact O-CE 3.42Å; R46-K288 HydrophobicContact CB-CD 4.3Å; N84-K288 HydrophobicContact CB-CD 3.9Å; N84-K288 HydrophobicContact CB-CG 4.29Å; D114-K288 IonicContact OD1-NZ 3.85Å; D114-K288 IonicContact OD2-NZ 3.9Å; D114-K288 PolarHBondContact OD2-NZ 2.7Å; R286-K288 PolarHBondContact O-N 3.01Å |
| 289 | K | 67.6 | Low | 92.7 | Very high | 277 Ų | 277 | 76.1 Ų | 76.1 | 100% | 1.204 | 36% | 0.359 | S | S | * | . | trans | -97.7 | 0 | 175.6 | -64.8 | -175.5 | -179.7 | -179.2 | 0 | 110.1 |
Retrieved 289 of 289 residues in 535.3 ms
(Link to these results)