| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.1 | Very low | 38.6 | Very low | 239 Ų | 239 | 172.9 Ų | 172.9 | 100% | 1.177 | 85% | 0.854 | S | S | * | * | 0 | 105.1 | 0 | -81.8 | 172.8 | 178.8 | 0 | 0 | 108.4 | L3 | M1-L3 PolarHBondContact O-N 3.39Š| |||
| 2 | A | 37.2 | Very low | 38.6 | Very low | 105 Ų | 105 | 171.1 Ų | 171.1 | 87% | 0.868 | 85% | 0.848 | S | S | * | * | trans | -82.8 | 106.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | K4 | A2-K4 PolarHBondContact O-N 3.35Š| ||
| 3 | L | 36 | Very low | 38.6 | Very low | 164 Ų | 164 | 164.1 Ų | 164.1 | 86% | 0.859 | 83% | 0.834 | S | S | * | * | trans | -77 | 108.2 | 173.6 | -117.6 | 82.5 | 0 | 0 | 0 | 109.3 | M1 R5 | M1-L3 PolarHBondContact O-N 3.39Å; L3-R5 PolarHBondContact O-N 3.35Å | ||
| 4 | K | 38.4 | Very low | 38.8 | Very low | 196 Ų | 196 | 163.4 Ų | 163.4 | 85% | 0.852 | 83% | 0.832 | S | S | * | * | trans | -72.4 | 117.3 | 168.1 | -80.8 | 178.2 | 172.9 | 179.9 | 0 | 109 | A2 L6 | A2-K4 PolarHBondContact O-N 3.35Å; K4-L6 PolarHBondContact O-N 3.44Å | ||
| 5 | R | 40.1 | Very low | 38.7 | Very low | 228 Ų | 228 | 162.5 Ų | 162.5 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -72.3 | 111.5 | 171.9 | -73.6 | -178.4 | 173 | -164 | -2.2 | 109.5 | L3 | L3-R5 PolarHBondContact O-N 3.35Š| ||
| 6 | L | 35.8 | Very low | 38.6 | Very low | 156 Ų | 156 | 158.8 Ų | 158.8 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | trans | -76.1 | 122.5 | 164.3 | -107.7 | 89.8 | 0 | 0 | 0 | 108.8 | K4 | K4-L6 PolarHBondContact O-N 3.44Š| ||
| 7 | W | 38.7 | Very low | 38.6 | Very low | 224 Ų | 224 | 160.1 Ų | 160.1 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -86.5 | 111.6 | 169.2 | -79.4 | 54.3 | 0 | 0 | 0 | 108.5 | I9 | W7-I9 PolarHBondContact O-N 3.08Š| ||
| 8 | I | 37.4 | Very low | 38.8 | Very low | 152 Ų | 152 | 159.2 Ų | 159.2 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -84.7 | 105.8 | 170.5 | -64.6 | 171.7 | 0 | 0 | 0 | 106.7 | M10 | I8-M10 PolarHBondContact O-N 3.3Š| ||
| 9 | I | 39.4 | Very low | 39 | Very low | 144 Ų | 144 | 153.4 Ų | 153.4 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -77.4 | 106.8 | 171.2 | -64.2 | 174.7 | 0 | 0 | 0 | 107 | W7 V11 | W7-I9 PolarHBondContact O-N 3.08Å; I9-V11 HydrophobicContact CG2-CG2 4.29Å; I9-V11 PolarHBondContact O-N 3.27Å | ||
| 10 | M | 34.7 | Very low | 39.4 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -80.8 | 98.8 | 176 | -157.4 | 176.2 | 172.4 | 0 | 0 | 108.2 | I8 L12 | I8-M10 PolarHBondContact O-N 3.3Å; M10-L12 PolarHBondContact O-N 3.45Å | ||
| 11 | V | 38 | Very low | 40.2 | Very low | 125 Ų | 125 | 149 Ų | 149 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -74.1 | 104.6 | 174.3 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | I9 A13 | I9-V11 HydrophobicContact CG2-CG2 4.29Å; I9-V11 PolarHBondContact O-N 3.27Å; V11-A13 PolarHBondContact O-N 3.2Å | ||
| 12 | L | 38.9 | Very low | 41.2 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -66.6 | 97.6 | 166.7 | -98.8 | 128 | 0 | 0 | 0 | 108.5 | M10 L14 | M10-L12 PolarHBondContact O-N 3.45Å; L12-L14 PolarHBondContact O-N 3.05Å; L12-L14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | A | 38.7 | Very low | 43.3 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | trans | -68.5 | 100.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V11 L15 | V11-A13 PolarHBondContact O-N 3.2Å; A13-L15 VanDerWaalsContact C-N 3.31Å; A13-L15 PolarHBondContact O-N 3.06Å | ||
| 14 | L | 40.6 | Very low | 46 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | trans | -61 | 99.5 | 160.2 | -98.8 | 101.6 | 0 | 0 | 0 | 107.3 | L12 T16 | L12-L14 PolarHBondContact O-N 3.05Å; L12-L14 VanDerWaalsContact O-N 3.08Å; L14-T16 PolarHBondContact O-N 3.29Å | ||
| 15 | L | 37.6 | Very low | 48.6 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | trans | -65.7 | 88.7 | 163.3 | -79.1 | 159.2 | 0 | 0 | 0 | 107.2 | A13 H17 | A13-L15 VanDerWaalsContact C-N 3.31Å; A13-L15 PolarHBondContact O-N 3.06Å; L15-H17 PolarHBondContact O-N 3.01Å | ||
| 16 | T | 36.5 | Very low | 51.3 | Low | 102 Ų | 102 | 118.6 Ų | 118.6 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | trans | -61.3 | 108.8 | 159.5 | 45 | 0 | 0 | 0 | 0 | 106.1 | L14 I18 | L14-T16 PolarHBondContact O-N 3.29Å; T16-I18 PolarHBondContact O-N 3.41Å | ||
| 17 | H | 38.5 | Very low | 54.2 | Low | 182 Ų | 182 | 112.1 Ų | 112.1 | 84% | 0.843 | 61% | 0.612 | S | S | * | * | trans | -64.9 | 75.4 | 165 | -75.6 | -57.3 | 0 | 0 | 0 | 107.9 | L15 G19 | L15-H17 PolarHBondContact O-N 3.01Å; H17-G19 VanDerWaalsContact C-N 3.31Å; H17-G19 PolarHBondContact O-N 3.13Å | ||
| 18 | I | 43.3 | Very low | 57 | Low | 144 Ų | 144 | 106.4 Ų | 106.4 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | trans | -61.5 | 105.5 | 159.9 | -59 | 174.6 | 0 | 0 | 0 | 103.3 | T16 L20 | T16-I18 PolarHBondContact O-N 3.41Å; I18-L20 PolarHBondContact O-N 2.95Å | ||
| 19 | G | 41.9 | Very low | 59.9 | Low | 49 Ų | 49 | 101.4 Ų | 101.4 | 51% | 0.505 | 57% | 0.574 | S | S | . | * | trans | -45.8 | 116.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | H17 | H17-G19 VanDerWaalsContact C-N 3.31Å; H17-G19 PolarHBondContact O-N 3.13Å | ||
| 20 | L | 46.9 | Very low | 62.8 | Low | 147 Ų | 147 | 94.6 Ų | 94.6 | 77% | 0.77 | 54% | 0.54 | S | S | * | . | trans | -56.2 | 140.2 | 177.3 | -83.7 | 150.8 | 0 | 0 | 0 | 108.4 | I18 | I18-L20 PolarHBondContact O-N 2.95Š| ||
| 21 | P | 57.4 | Low | 65.8 | Low | 68 Ų | 68 | 86.9 Ų | 86.9 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | trans | -51.6 | 152.9 | 166.9 | 23.7 | -32 | 0 | 0 | 0 | 109.5 | D23 K211 | P21-D23 PolarHBondContact O-N 3.37Å; P21-K211 CarbonylContact C-O 3.5Å; P21-K211 WeakPolarHBondContact CA-O 3.36Å; P21-K211 HydrophobicContact CB-CB 4.07Å; P21-K211 HydrophobicContact CB-CG 4.28Å; P21-K211 WeakPolarHBondContact CB-O 3.16Å | ||
| 22 | L | 69.8 | Low | 68.7 | Low | 20 Ų | 20 | 81.2 Ų | 81.2 | 11% | 0.105 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -68.1 | 65.2 | 178.1 | -169.3 | 89.2 | 0 | 0 | 0 | 110.4 | N24 Y189 K211 S212 | L22-N24 HydrophobicContact CG-CB 4.43Å; L22-N24 PolarHBondContact O-N 2.69Å; L22-Y189 HydrophobicContact CD2-CD1 4.12Å; L22-K211 PolarHBondContact N-O 3.08Å; L22-S212 WeakPolarHBondContact CD2-O 3.3Å |
| 23 | D | 80.2 | Confident | 71.6 | Confident | 143 Ų | 143 | 74 Ų | 74 | 77% | 0.765 | 43% | 0.43 | S | S | * | . | trans | -92.4 | 77.5 | 165 | -173.7 | 7.8 | 0 | 0 | 0 | 107.3 | P21 | P21-D23 PolarHBondContact O-N 3.37Š| ||
| 24 | N | 92.4 | Very high | 74.4 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 21% | 0.209 | 40% | 0.398 | C | S | . | . | trans | -94.2 | 5.7 | -175.3 | 63.5 | 0.3 | 0 | 0 | 0 | 113 | L22 L26 I187 N214 | L22-N24 HydrophobicContact CG-CB 4.43Å; L22-N24 PolarHBondContact O-N 2.69Å; N24-L26 PolarHBondContact O-N 2.5Å; N24-L26 WeakPolarHBondContact OD1-CB 3.4Å; N24-L26 PolarHBondContact OD1-N 3.46Å; N24-I187 PolarHBondContact ND2-O 3.23Å; N24-N214 PolarHBondContact ND2-OD1 2.64Å; N24-N214 PolarHBondContact OD1-ND2 3.29Å | ||
| 25 | G | 93.8 | Very high | 77.2 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 67.1 | 14.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 26 | L | 97 | Very high | 80.1 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 23% | 0.225 | 33% | 0.326 | C | S | . | . | trans | -105.1 | 165.2 | 179.7 | -58.5 | 179.4 | 0 | 0 | 0 | 111.8 | N24 L28 P186 V188 G250 | N24-L26 PolarHBondContact O-N 2.5Å; N24-L26 WeakPolarHBondContact OD1-CB 3.4Å; N24-L26 PolarHBondContact OD1-N 3.46Å; L26-L28 VanDerWaalsContact C-N 3.25Å; L26-L28 PolarHBondContact O-N 3.18Å; L26-P186 HydrophobicContact CD1-CB 3.73Å; L26-P186 HydrophobicContact CD2-CB 3.92Å; L26-P186 HydrophobicContact CG-CB 4.22Å; L26-V188 HydrophobicContact CB-CG2 4.03Å; L26-V188 HydrophobicContact CD1-CG2 3.93Å; L26-G250 WeakPolarHBondContact O-CA 3.3Å | ||
| 27 | S | 97.2 | Very high | 83.1 | Confident | 19 Ų | 19 | 54 Ų | 54 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | trans | 52.7 | 40.8 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 113 | T29 V188 G250 W252 | S27-T29 CarbonylContact C-O 3.38Å; S27-T29 WeakPolarHBondContact CA-O 3.35Å; S27-T29 PolarHBondContact O-N 3.14Å; S27-T29 VanDerWaalsContact O-O 3.13Å; S27-V188 WeakPolarHBondContact OG-CG1 3.5Å; S27-G250 WeakPolarHBondContact O-CA 3.16Å; S27-G250 PolarHBondContact O-N 3.33Å; S27-W252 PolarHBondContact O-NE1 3.06Å | ||
| 28 | L | 97.4 | Very high | 85.9 | Confident | 104 Ų | 104 | 46.3 Ų | 46.3 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -63.7 | -19.2 | 177.6 | -61.5 | -178.6 | 0 | 0 | 0 | 113 | L26 P249 W252 | L26-L28 VanDerWaalsContact C-N 3.25Å; L26-L28 PolarHBondContact O-N 3.18Å; L28-P249 HydrophobicContact CD2-CB 4.43Å; L28-P249 WeakPolarHBondContact O-CA 3.28Å; L28-P249 WeakPolarHBondContact O-CB 3.49Å; L28-W252 WeakPolarHBondContact O-CZ2 3.26Å |
| 29 | T | 98.5 | Very high | 88.4 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -121.5 | 163 | 160.2 | 57 | 0 | 0 | 0 | 0 | 108.8 | S27 W252 Q311 | S27-T29 CarbonylContact C-O 3.38Å; S27-T29 WeakPolarHBondContact CA-O 3.35Å; S27-T29 PolarHBondContact O-N 3.14Å; S27-T29 VanDerWaalsContact O-O 3.13Å; T29-W252 VanDerWaalsContact C-CZ2 3.44Å; T29-W252 VanDerWaalsContact CA-CZ2 3.48Å; T29-W252 PolarHBondContact O-NE1 3.17Å; T29-Q311 PolarHBondContact OG1-OE1 3.02Å |
| 30 | P | 98.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | trans | -54.9 | 135 | 179.2 | -25.2 | 33.6 | 0 | 0 | 0 | 111.7 | M32 W252 A281 S282 Q311 | P30-M32 PolarHBondContact O-N 3.08Å; P30-W252 HydrophobicContact CB-CD2 4.28Å; P30-W252 HydrophobicContact CB-CG 4.49Å; P30-W252 HydrophobicContact CG-CD2 3.87Å; P30-W252 HydrophobicContact CG-CE3 3.78Å; P30-W252 HydrophobicContact CG-CH2 4.11Å; P30-W252 HydrophobicContact CG-CZ2 4.17Å; P30-W252 HydrophobicContact CG-CZ3 3.91Å; P30-A281 HydrophobicContact CG-CB 4.11Å; P30-A281 VanDerWaalsContact CG-O 3.27Å; P30-A281 WeakPolarHBondContact CG-O 3.36Å; P30-S282 WeakPolarHBondContact CB-O 3.36Å; P30-Q311 PolarHBondContact O-NE2 2.95Å | ||
| 31 | P | 98.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.045 | 19% | 0.193 | C | C | . | . | trans | -59.6 | 138.4 | 177.4 | -25.3 | 34.5 | 0 | 0 | 0 | 112.1 | V188 L215 P283 L284 | P31-V188 HydrophobicContact CG-CG1 4.45Å; P31-L215 HydrophobicContact CG-CD1 4.27Å; P31-L215 HydrophobicContact CG-CD2 4.39Å; P31-P283 CarbonylContact O-C 3.51Å; P31-P283 VanDerWaalsContact O-CA 3.25Å; P31-P283 WeakPolarHBondContact O-CA 3.3Å; P31-L284 PolarHBondContact O-N 2.85Å | ||
| 32 | M | 98.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.6 | 173.2 | -58 | -179 | 61.1 | 0 | 0 | 109.8 | P30 Y76 N77 F78 L284 I307 Q311 | P30-M32 PolarHBondContact O-N 3.08Å; M32-Y76 HydrophobicContact CB-CD1 3.95Å; M32-Y76 HydrophobicContact CB-CE1 4.46Å; M32-Y76 HydrophobicContact CB-CG 4.31Å; M32-Y76 HydrophobicContact CE-CD1 4.01Å; M32-Y76 HydrophobicContact CE-CD2 3.75Å; M32-Y76 HydrophobicContact CE-CE1 3.84Å; M32-Y76 HydrophobicContact CE-CE2 3.56Å; M32-Y76 HydrophobicContact CE-CG 3.96Å; M32-N77 PolarHBondContact O-N 2.66Å; M32-N77 PolarHBondContact O-OD1 3.27Å; M32-F78 PolarHBondContact O-N 3.05Å; M32-L284 WeakPolarHBondContact CA-O 3.24Å; M32-L284 HydrophobicContact CE-CD1 4.02Å; M32-L284 HydrophobicContact CG-CB 4.1Å; M32-L284 HydrophobicContact CG-CD1 4.42Å; M32-L284 HydrophobicContact SD-CD1 4.45Å; M32-I307 HydrophobicContact CE-CB 4.49Å; M32-I307 HydrophobicContact CE-CD1 3.99Å; M32-I307 HydrophobicContact CE-CG1 3.91Å; M32-I307 HydrophobicContact CE-CG2 3.77Å; M32-I307 HydrophobicContact SD-CG2 3.83Å; M32-Q311 HydrophobicContact SD-CG 3.73Å |
| 33 | G | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 180 | -151.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F78 L284 M286 | G33-F78 CarbonylContact C-O 3.49Å; G33-F78 WeakPolarHBondContact CA-O 3.27Å; G33-L284 PolarHBondContact N-O 3.23Å; G33-M286 PolarHBondContact O-N 3.3Å |
| 34 | W | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 143.2 | 178.1 | -177.4 | 100.1 | 0 | 0 | 0 | 109.9 | S36 F40 Y59 M62 M66 F78 V79 N80 M286 N288 | W34-S36 VanDerWaalsContact CH2-CA 3.46Å; W34-F40 HydrophobicContact CH2-CD2 4.09Å; W34-F40 HydrophobicContact CH2-CE2 4.12Å; W34-F40 AromaticContact CZ2-CD2 3.78Å; W34-F40 HydrophobicContact CZ2-CD2 3.78Å; W34-F40 AromaticContact CZ2-CE2 3.42Å; W34-F40 HydrophobicContact CZ2-CE2 3.42Å; W34-F40 VanDerWaalsContact CZ2-CE2 3.42Å; W34-F40 HydrophobicContact CZ2-CZ 4.27Å; W34-Y59 HydrophobicContact CH2-CE1 4.41Å; W34-Y59 AromaticContact CZ3-CD1 3.83Å; W34-Y59 HydrophobicContact CZ3-CD1 3.83Å; W34-Y59 AromaticContact CZ3-CE1 3.79Å; W34-Y59 HydrophobicContact CZ3-CE1 3.79Å; W34-M62 HydrophobicContact CD2-CB 4.3Å; W34-M62 HydrophobicContact CD2-CG 4.25Å; W34-M62 HydrophobicContact CE3-CB 4.47Å; W34-M62 HydrophobicContact CE3-CG 4.5Å; W34-M62 HydrophobicContact CH2-CG 3.8Å; W34-M62 HydrophobicContact CZ2-CB 4.38Å; W34-M62 HydrophobicContact CZ2-CG 3.49Å; W34-M62 VanDerWaalsContact CZ2-CG 3.49Å; W34-M62 HydrophobicContact CZ2-SD 3.94Å; W34-M62 HydrophobicContact CZ3-CG 4.31Å; W34-M66 HydrophobicContact CB-CE 4.42Å; W34-M66 HydrophobicContact CB-SD 3.77Å; W34-F78 PolarHBondContact N-O 3.32Å; W34-V79 HydrophobicContact CE3-CG1 4.23Å; W34-N80 WeakPolarHBondContact O-CB 3.24Å; W34-N80 PolarHBondContact O-N 3.08Å; W34-M286 CarbonylContact C-O 3.51Å; W34-M286 WeakPolarHBondContact CA-O 3.22Å; W34-M286 HydrophobicContact CB-CE 4.32Å; W34-N288 PolarHBondContact NE1-O 2.92Å |
| 35 | L | 98.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 31 Ų | 31 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.8 | 178.1 | -179.2 | 66.8 | 0 | 0 | 0 | 109.4 | W37 N80 D82 M257 I285 M286 S287 | L35-W37 HydrophobicContact CG-CB 4.5Å; L35-W37 PolarHBondContact O-N 3.37Å; L35-N80 HydrophobicContact CB-CB 4.18Å; L35-N80 HydrophobicContact CD1-CB 3.36Å; L35-N80 HydrophobicContact CG-CB 4.38Å; L35-D82 HydrophobicContact CD1-CB 3.88Å; L35-D82 WeakPolarHBondContact CD1-OD2 3.36Å; L35-D82 HydrophobicContact CG-CB 4.38Å; L35-M257 HydrophobicContact CB-CG 4.3Å; L35-M257 HydrophobicContact CB-SD 4.11Å; L35-M257 HydrophobicContact CD2-CG 3.89Å; L35-M257 HydrophobicContact CD2-SD 3.66Å; L35-M257 HydrophobicContact CG-SD 3.98Å; L35-I285 HydrophobicContact CB-CG2 3.4Å; L35-I285 HydrophobicContact CD2-CG2 4.43Å; L35-M286 PolarHBondContact N-O 3.26Å; L35-S287 WeakPolarHBondContact O-CA 3.22Å; L35-S287 WeakPolarHBondContact O-CB 3.4Å; L35-S287 PolarHBondContact O-OG 2.9Å |
| 36 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -75.1 | -20.5 | -172.4 | 53.4 | 0 | 0 | 0 | 0 | 115.3 | W34 F40 Y59 N80 D82 | W34-S36 VanDerWaalsContact CH2-CA 3.46Å; S36-F40 VanDerWaalsContact O-CB 3.28Å; S36-F40 WeakPolarHBondContact O-CB 3.41Å; S36-F40 WeakPolarHBondContact O-CD2 3.47Å; S36-F40 PolarHBondContact O-N 3.3Å; S36-Y59 PolarHBondContact OG-OH 2.67Å; S36-N80 PolarHBondContact N-O 3.13Å; S36-D82 PolarHBondContact OG-N 2.8Å |
| 37 | W | 98.5 | Very high | 98.2 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 21% | 0.208 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -61.9 | -158.9 | -171.7 | -121.4 | 0 | 0 | 0 | 115.4 | L35 A39 F40 G41 C42 D82 D83 D221 M257 | L35-W37 HydrophobicContact CG-CB 4.5Å; L35-W37 PolarHBondContact O-N 3.37Å; W37-A39 VanDerWaalsContact C-N 3.26Å; W37-A39 PolarHBondContact O-N 3.33Å; W37-F40 PolarHBondContact O-N 3Å; W37-G41 VanDerWaalsContact O-CA 3.24Å; W37-G41 WeakPolarHBondContact O-CA 3.43Å; W37-G41 PolarHBondContact O-N 3.48Å; W37-C42 HydrophobicContact CZ3-CB 4.3Å; W37-D82 HydrophobicContact CB-CB 3.84Å; W37-D82 HydrophobicContact CE3-CB 4.21Å; W37-D83 HydrophobicContact CE3-CB 4.39Å; W37-D83 HydrophobicContact CH2-CB 4.32Å; W37-D83 HydrophobicContact CZ3-CB 3.81Å; W37-D221 PolarHBondContact NE1-OD2 3.04Å; W37-M257 HydrophobicContact CB-CE 3.88Å; W37-M257 HydrophobicContact CB-SD 3.93Å; W37-M257 HydrophobicContact CG-CE 4.27Å |
| 38 | A | 97.6 | Very high | 98.2 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -30.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I222 L224 M257 I259 S287 | A38-I222 HydrophobicContact CB-CG2 4.32Å; A38-L224 HydrophobicContact CB-CD2 3.93Å; A38-L224 WeakPolarHBondContact O-CD1 3.3Å; A38-L224 WeakPolarHBondContact O-CD2 3.31Å; A38-L224 WeakPolarHBondContact O-CG 3.5Å; A38-M257 HydrophobicContact CB-CE 3.61Å; A38-M257 HydrophobicContact CB-SD 3.91Å; A38-I259 HydrophobicContact CB-CG2 4.17Å; A38-S287 WeakPolarHBondContact CA-OG 3.3Å; A38-S287 WeakPolarHBondContact CB-OG 2.95Å; A38-S287 PolarHBondContact N-OG 3.5Å; A38-S287 VanDerWaalsContact N-OG 3.13Å |
| 39 | A | 97 | Very high | 98.2 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 7% | 0.066 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -92.2 | -27.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | W37 R52 S287 | W37-A39 VanDerWaalsContact C-N 3.26Å; W37-A39 PolarHBondContact O-N 3.33Å; A39-R52 PolarHBondContact O-NH1 3.08Å; A39-R52 PolarHBondContact O-NH2 3.19Å; A39-S287 WeakPolarHBondContact CB-O 3.47Å; A39-S287 WeakPolarHBondContact CB-OG 3.3Å; A39-S287 PolarHBondContact N-OG 3.23Å |
| 40 | F | 97.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -119.3 | -21.2 | -173.7 | -61.2 | -91.1 | 0 | 0 | 0 | 113.6 | W34 S36 W37 R52 I54 L58 M62 N288 D289 | W34-F40 HydrophobicContact CH2-CD2 4.09Å; W34-F40 HydrophobicContact CH2-CE2 4.12Å; W34-F40 AromaticContact CZ2-CD2 3.78Å; W34-F40 HydrophobicContact CZ2-CD2 3.78Å; W34-F40 AromaticContact CZ2-CE2 3.42Å; W34-F40 HydrophobicContact CZ2-CE2 3.42Å; W34-F40 VanDerWaalsContact CZ2-CE2 3.42Å; W34-F40 HydrophobicContact CZ2-CZ 4.27Å; S36-F40 VanDerWaalsContact O-CB 3.28Å; S36-F40 WeakPolarHBondContact O-CB 3.41Å; S36-F40 WeakPolarHBondContact O-CD2 3.47Å; S36-F40 PolarHBondContact O-N 3.3Å; W37-F40 PolarHBondContact O-N 3Å; F40-R52 HydrophobicContact CD1-CB 4.17Å; F40-R52 HydrophobicContact CD1-CG 4.45Å; F40-R52 HydrophobicContact CE1-CG 4.43Å; F40-I54 HydrophobicContact CB-CD1 3.79Å; F40-L58 HydrophobicContact CB-CD2 4.33Å; F40-L58 HydrophobicContact CD1-CD1 3.83Å; F40-L58 HydrophobicContact CD1-CD2 3.88Å; F40-L58 HydrophobicContact CE1-CD1 3.45Å; F40-L58 VanDerWaalsContact CE1-CD1 3.45Å; F40-L58 HydrophobicContact CE1-CD2 4.37Å; F40-L58 HydrophobicContact CE2-CD1 4.46Å; F40-L58 HydrophobicContact CG-CD1 4.45Å; F40-L58 HydrophobicContact CG-CD2 4Å; F40-L58 HydrophobicContact CZ-CD1 3.82Å; F40-M62 HydrophobicContact CZ-CE 3.86Å; F40-N288 WeakPolarHBondContact CE2-O 3.37Å; F40-D289 HydrophobicContact CZ-CB 3.95Å |
| 41 | G | 97.6 | Very high | 98 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 24% | 0.237 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -138.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W37 I54 | W37-G41 VanDerWaalsContact O-CA 3.24Å; W37-G41 WeakPolarHBondContact O-CA 3.43Å; W37-G41 PolarHBondContact O-N 3.48Å; G41-I54 WeakPolarHBondContact O-CD1 3.5Å |
| 42 | C | 98.3 | Very high | 97.9 | Very high | 51 Ų | 51 | 53 Ų | 53 | 35% | 0.345 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 47.1 | 178.2 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | W37 L44 C84 | W37-C42 HydrophobicContact CZ3-CB 4.3Å; C42-L44 PolarHBondContact O-N 3.2Å; C42-C84 HydrophobicContact CB-CB 4.1Å; C42-C84 WeakPolarHBondContact CB-SG 3.43Å; C42-C84 WeakPolarHBondContact SG-CB 3.06Å; C42-C84 CovalentContact SG-SG 2.02Å; C42-C84 PolarHBondContact SG-SG 2.78Å |
| 43 | E | 98.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | trans | -74.8 | 115.4 | 177.5 | 178.8 | 54.5 | -103.5 | 0 | 0 | 110.6 | N45 H49 C53 I54 | E43-N45 WeakPolarHBondContact OE1-CA 3.33Å; E43-N45 VanDerWaalsContact OE1-CB 3.24Å; E43-N45 WeakPolarHBondContact OE1-CB 3.45Å; E43-N45 PolarHBondContact OE1-N 3.5Å; E43-H49 VanDerWaalsContact CD-CD2 3.44Å; E43-H49 HydrophobicContact CG-CB 3.78Å; E43-H49 IonicContact OE1-CD2 3.13Å; E43-H49 IonicContact OE2-CD2 2.66Å; E43-H49 PolarHBondContact OE2-CD2 3.19Å; E43-H49 IonicContact OE2-CG 2.73Å; E43-H49 IonicContact OE2-NE2 2.93Å; E43-C53 HydrophobicContact CG-CB 4.16Å; E43-C53 CarbonylContact O-C 3.59Å; E43-C53 WeakPolarHBondContact O-CA 3.22Å; E43-I54 PolarHBondContact O-N 2.9Å | ||
| 44 | L | 98.2 | Very high | 97.9 | Very high | 72 Ų | 72 | 52.7 Ų | 52.7 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | trans | -108 | -12 | -176.6 | -52 | 179.7 | 0 | 0 | 0 | 113.3 | C42 C46 C84 F135 | C42-L44 PolarHBondContact O-N 3.2Å; L44-C46 PolarHBondContact O-N 3.25Å; L44-C84 HydrophobicContact CD2-CB 3.82Å; L44-F135 HydrophobicContact CD1-CZ 3.96Å | ||
| 45 | N | 97.9 | Very high | 97.9 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | trans | -85.4 | 83.1 | -176.1 | -169.1 | -24.8 | 0 | 0 | 0 | 110.9 | E43 I47 R48 H49 | E43-N45 WeakPolarHBondContact OE1-CA 3.33Å; E43-N45 VanDerWaalsContact OE1-CB 3.24Å; E43-N45 WeakPolarHBondContact OE1-CB 3.45Å; E43-N45 PolarHBondContact OE1-N 3.5Å; N45-I47 PolarHBondContact O-N 3.33Å; N45-I47 PolarHBondContact OD1-N 2.77Å; N45-R48 HydrophobicContact CB-CB 4.3Å; N45-R48 VanDerWaalsContact CG-CB 3.5Å; N45-R48 PolarHBondContact O-N 3.27Å; N45-R48 WeakPolarHBondContact OD1-CB 3.41Å; N45-R48 PolarHBondContact OD1-N 3.26Å; N45-H49 PolarHBondContact O-N 3.22Å | ||
| 46 | C | 97.9 | Very high | 97.9 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.7 | 178.6 | -65.8 | 0 | 0 | 0 | 0 | 114.9 | L44 P50 C53 | L44-C46 PolarHBondContact O-N 3.25Å; C46-P50 WeakPolarHBondContact O-CA 3.41Å; C46-P50 WeakPolarHBondContact O-CB 3.1Å; C46-C53 WeakPolarHBondContact CA-SG 3.48Å; C46-C53 HydrophobicContact CB-CB 3.92Å; C46-C53 WeakPolarHBondContact CB-SG 3.27Å; C46-C53 WeakPolarHBondContact SG-CB 3.49Å; C46-C53 CovalentContact SG-SG 2.04Å; C46-C53 PolarHBondContact SG-SG 3.44Å |
| 47 | I | 97.5 | Very high | 97.9 | Very high | 163 Ų | 163 | 58.3 Ų | 58.3 | 84% | 0.836 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -46.5 | 174.9 | -61.1 | 173.8 | 0 | 0 | 0 | 109.8 | N45 | N45-I47 PolarHBondContact O-N 3.33Å; N45-I47 PolarHBondContact OD1-N 2.77Å |
| 48 | R | 97.8 | Very high | 97.9 | Very high | 189 Ų | 189 | 55.8 Ų | 55.8 | 71% | 0.713 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -34.8 | -177.4 | -168.8 | -179.4 | 180 | -177.3 | -0.4 | 112.6 | N45 P50 | N45-R48 HydrophobicContact CB-CB 4.3Å; N45-R48 VanDerWaalsContact CG-CB 3.5Å; N45-R48 PolarHBondContact O-N 3.27Å; N45-R48 WeakPolarHBondContact OD1-CB 3.41Å; N45-R48 PolarHBondContact OD1-N 3.26Å; R48-P50 VanDerWaalsContact C-CD 3.45Å |
| 49 | H | 97.6 | Very high | 97.9 | Very high | 62 Ų | 62 | 54.9 Ų | 54.9 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | trans | -128.6 | 58.5 | -174.2 | -60.7 | -67.1 | 0 | 0 | 0 | 111.5 | E43 N45 L51 R52 C53 | E43-H49 VanDerWaalsContact CD-CD2 3.44Å; E43-H49 HydrophobicContact CG-CB 3.78Å; E43-H49 IonicContact OE1-CD2 3.13Å; E43-H49 IonicContact OE2-CD2 2.66Å; E43-H49 PolarHBondContact OE2-CD2 3.19Å; E43-H49 IonicContact OE2-CG 2.73Å; E43-H49 IonicContact OE2-NE2 2.93Å; N45-H49 PolarHBondContact O-N 3.22Å; H49-L51 PolarHBondContact O-N 3.17Å; H49-L51 VanDerWaalsContact O-N 3.14Å; H49-R52 HydrophobicContact CB-CB 4.31Å; H49-R52 PolarHBondContact O-N 2.93Å; H49-C53 PolarHBondContact O-N 2.94Å | ||
| 50 | P | 96.1 | Very high | 98 | Very high | 78 Ų | 78 | 56 Ų | 56 | 51% | 0.506 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30 | -170 | 24.1 | -35.2 | 0 | 0 | 0 | 114.3 | C46 R48 | C46-P50 WeakPolarHBondContact O-CA 3.41Å; C46-P50 WeakPolarHBondContact O-CB 3.1Å; R48-P50 VanDerWaalsContact C-CD 3.45Å |
| 51 | L | 96.6 | Very high | 98.1 | Very high | 93 Ų | 93 | 57 Ų | 57 | 49% | 0.487 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.3 | 178 | -62.6 | -180 | 0 | 0 | 0 | 113.3 | H49 R291 F292 | H49-L51 PolarHBondContact O-N 3.17Å; H49-L51 VanDerWaalsContact O-N 3.14Å; L51-R291 PolarHBondContact O-NH1 3.06Å; L51-R291 PolarHBondContact O-NH2 3.48Å; L51-F292 HydrophobicContact CD1-CZ 4.46Å |
| 52 | R | 97.5 | Very high | 98.1 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 41% | 0.408 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -20.3 | -173.2 | -63.3 | -179.4 | 58.6 | 73.8 | 2.5 | 113.8 | A39 F40 H49 | A39-R52 PolarHBondContact O-NH1 3.08Å; A39-R52 PolarHBondContact O-NH2 3.19Å; F40-R52 HydrophobicContact CD1-CB 4.17Å; F40-R52 HydrophobicContact CD1-CG 4.45Å; F40-R52 HydrophobicContact CE1-CG 4.43Å; H49-R52 HydrophobicContact CB-CB 4.31Å; H49-R52 PolarHBondContact O-N 2.93Å |
| 53 | C | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -62.2 | 147.6 | 179.5 | 78 | 0 | 0 | 0 | 0 | 110.7 | E43 C46 H49 N55 | E43-C53 HydrophobicContact CG-CB 4.16Å; E43-C53 CarbonylContact O-C 3.59Å; E43-C53 WeakPolarHBondContact O-CA 3.22Å; C46-C53 WeakPolarHBondContact CA-SG 3.48Å; C46-C53 HydrophobicContact CB-CB 3.92Å; C46-C53 WeakPolarHBondContact CB-SG 3.27Å; C46-C53 WeakPolarHBondContact SG-CB 3.49Å; C46-C53 CovalentContact SG-SG 2.04Å; C46-C53 PolarHBondContact SG-SG 3.44Å; H49-C53 PolarHBondContact O-N 2.94Å; C53-N55 PolarHBondContact O-N 3.06Å; C53-N55 PolarHBondContact SG-ND2 3.09Å |
| 54 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -72.5 | 93.2 | 178.5 | -57.8 | -52.6 | 0 | 0 | 0 | 108.4 | F40 G41 E43 L58 Y59 R102 F103 | F40-I54 HydrophobicContact CB-CD1 3.79Å; G41-I54 WeakPolarHBondContact O-CD1 3.5Å; E43-I54 PolarHBondContact O-N 2.9Å; I54-L58 HydrophobicContact CD1-CD2 4.01Å; I54-Y59 HydrophobicContact CG2-CE2 4.24Å; I54-R102 WeakPolarHBondContact O-CD 3.23Å; I54-R102 PolarHBondContact O-NH1 3.46Å; I54-F103 HydrophobicContact CG2-CE2 4.37Å; I54-F103 HydrophobicContact CG2-CZ 4.09Å |
| 55 | N | 98.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 51.2 Ų | 51.2 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -140.7 | 167 | -179.1 | 72.5 | 12.1 | 0 | 0 | 0 | 111.6 | C53 Q57 L58 Y59 R102 | C53-N55 PolarHBondContact O-N 3.06Å; C53-N55 PolarHBondContact SG-ND2 3.09Å; N55-Q57 VanDerWaalsContact C-N 3.29Å; N55-Q57 PolarHBondContact O-N 3.11Å; N55-Q57 PolarHBondContact OD1-N 2.96Å; N55-L58 WeakPolarHBondContact O-CB 3.25Å; N55-L58 PolarHBondContact O-N 3.27Å; N55-L58 WeakPolarHBondContact OD1-CB 3.49Å; N55-L58 PolarHBondContact OD1-N 3.25Å; N55-Y59 WeakPolarHBondContact O-CD2 3.33Å; N55-Y59 WeakPolarHBondContact O-CE2 3.28Å; N55-R102 CarbonylContact C-O 3.54Å; N55-R102 VanDerWaalsContact CA-O 3.3Å; N55-R102 WeakPolarHBondContact CA-O 3.49Å; N55-R102 HydrophobicContact CB-CB 4Å; N55-R102 VanDerWaalsContact CB-O 3.28Å; N55-R102 WeakPolarHBondContact CB-O 3.39Å |
| 56 | E | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.3 | -42.4 | 179.3 | 165.9 | 166.5 | -137.6 | 0 | 0 | 112.5 | L58 Y59 M60 R102 F103 S105 L110 | E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.3Å; E56-Y59 PolarHBondContact O-N 3.5Å; E56-M60 HydrophobicContact CG-CG 4.37Å; E56-M60 HydrophobicContact CG-SD 3.65Å; E56-M60 WeakPolarHBondContact O-CG 3.26Å; E56-M60 PolarHBondContact O-N 3.35Å; E56-R102 PolarHBondContact N-O 3.37Å; E56-F103 HydrophobicContact CB-CD1 3.9Å; E56-F103 HydrophobicContact CB-CG 4.44Å; E56-S105 VanDerWaalsContact OE1-CB 3.22Å; E56-S105 WeakPolarHBondContact OE1-CB 3.25Å; E56-S105 PolarHBondContact OE1-OG 3.34Å; E56-S105 VanDerWaalsContact OE2-CB 3.27Å; E56-S105 WeakPolarHBondContact OE2-CB 3.43Å; E56-S105 PolarHBondContact OE2-N 3.1Å; E56-S105 PolarHBondContact OE2-OG 2.76Å; E56-L110 HydrophobicContact CG-CD1 4.32Å |
| 57 | Q | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 44% | 0.444 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.6 | -36.9 | -178.1 | -171.1 | 61.3 | 53 | 0 | 0 | 112.6 | N55 Y59 M60 D61 | N55-Q57 VanDerWaalsContact C-N 3.29Å; N55-Q57 PolarHBondContact O-N 3.11Å; N55-Q57 PolarHBondContact OD1-N 2.96Å; Q57-Y59 VanDerWaalsContact C-N 3.32Å; Q57-Y59 PolarHBondContact O-N 3.17Å; Q57-M60 PolarHBondContact O-N 3.37Å; Q57-D61 PolarHBondContact NE2-OD1 3.35Å; Q57-D61 WeakPolarHBondContact O-CB 3.15Å; Q57-D61 VanDerWaalsContact O-CG 3.31Å; Q57-D61 PolarHBondContact O-N 3.46Å |
| 58 | L | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.7 | -49.4 | 175.6 | 171.5 | 64.4 | 0 | 0 | 0 | 110.5 | F40 I54 N55 E56 D61 M62 | F40-L58 HydrophobicContact CB-CD2 4.33Å; F40-L58 HydrophobicContact CD1-CD1 3.83Å; F40-L58 HydrophobicContact CD1-CD2 3.88Å; F40-L58 HydrophobicContact CE1-CD1 3.45Å; F40-L58 VanDerWaalsContact CE1-CD1 3.45Å; F40-L58 HydrophobicContact CE1-CD2 4.37Å; F40-L58 HydrophobicContact CE2-CD1 4.46Å; F40-L58 HydrophobicContact CG-CD1 4.45Å; F40-L58 HydrophobicContact CG-CD2 4Å; F40-L58 HydrophobicContact CZ-CD1 3.82Å; I54-L58 HydrophobicContact CD1-CD2 4.01Å; N55-L58 WeakPolarHBondContact O-CB 3.25Å; N55-L58 PolarHBondContact O-N 3.27Å; N55-L58 WeakPolarHBondContact OD1-CB 3.49Å; N55-L58 PolarHBondContact OD1-N 3.25Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.3Å; L58-D61 PolarHBondContact O-N 3.45Å; L58-M62 HydrophobicContact CD1-CE 3.68Å; L58-M62 HydrophobicContact CD1-CG 4.47Å; L58-M62 VanDerWaalsContact O-CG 3.3Å; L58-M62 WeakPolarHBondContact O-CG 3.46Å; L58-M62 PolarHBondContact O-N 2.94Å; L58-M62 VanDerWaalsContact O-N 3.13Å |
| 59 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | -179.5 | -61.8 | -77.4 | 0 | 0 | 0 | 111.8 | W34 S36 I54 N55 E56 Q57 M62 A63 V79 I81 F103 L110 | W34-Y59 HydrophobicContact CH2-CE1 4.41Å; W34-Y59 AromaticContact CZ3-CD1 3.83Å; W34-Y59 HydrophobicContact CZ3-CD1 3.83Å; W34-Y59 AromaticContact CZ3-CE1 3.79Å; W34-Y59 HydrophobicContact CZ3-CE1 3.79Å; S36-Y59 PolarHBondContact OG-OH 2.67Å; I54-Y59 HydrophobicContact CG2-CE2 4.24Å; N55-Y59 WeakPolarHBondContact O-CD2 3.33Å; N55-Y59 WeakPolarHBondContact O-CE2 3.28Å; E56-Y59 PolarHBondContact O-N 3.5Å; Q57-Y59 VanDerWaalsContact C-N 3.32Å; Q57-Y59 PolarHBondContact O-N 3.17Å; Y59-M62 PolarHBondContact O-N 3.29Å; Y59-A63 WeakPolarHBondContact O-CB 3.31Å; Y59-A63 PolarHBondContact O-N 2.72Å; Y59-V79 HydrophobicContact CD1-CG1 4.05Å; Y59-I81 HydrophobicContact CD1-CG1 3.87Å; Y59-I81 HydrophobicContact CD2-CG1 4.24Å; Y59-I81 HydrophobicContact CE1-CB 4.07Å; Y59-I81 HydrophobicContact CE1-CG1 3.64Å; Y59-I81 HydrophobicContact CE1-CG2 4.47Å; Y59-I81 HydrophobicContact CE2-CG1 4.07Å; Y59-I81 HydrophobicContact CE2-CG2 4.44Å; Y59-I81 HydrophobicContact CG-CG1 4.18Å; Y59-F103 AromaticContact CD2-CE1 3.82Å; Y59-F103 HydrophobicContact CD2-CE1 3.82Å; Y59-F103 HydrophobicContact CD2-CZ 4.25Å; Y59-F103 AromaticContact CE2-CE1 3.74Å; Y59-F103 HydrophobicContact CE2-CE1 3.74Å; Y59-F103 AromaticContact CE2-CZ 3.71Å; Y59-F103 HydrophobicContact CE2-CZ 3.71Å; Y59-L110 HydrophobicContact CD2-CD2 4.31Å; Y59-L110 HydrophobicContact CG-CD2 4.39Å |
| 60 | M | 98.9 | Very high | 98.5 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 16% | 0.158 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 174.2 | -71.6 | 175.1 | 50.4 | 0 | 0 | 112.2 | E56 Q57 M62 A63 D64 L110 Y113 | E56-M60 HydrophobicContact CG-CG 4.37Å; E56-M60 HydrophobicContact CG-SD 3.65Å; E56-M60 WeakPolarHBondContact O-CG 3.26Å; E56-M60 PolarHBondContact O-N 3.35Å; Q57-M60 PolarHBondContact O-N 3.37Å; M60-M62 PolarHBondContact O-N 3.2Å; M60-A63 WeakPolarHBondContact O-CB 3.49Å; M60-A63 PolarHBondContact O-N 2.92Å; M60-D64 PolarHBondContact O-N 3.43Å; M60-L110 HydrophobicContact CG-CD1 3.86Å; M60-Y113 HydrophobicContact CB-CD1 4.37Å; M60-Y113 HydrophobicContact CB-CE1 3.74Å; M60-Y113 HydrophobicContact CE-CD2 3.92Å; M60-Y113 HydrophobicContact CE-CE1 4.42Å; M60-Y113 HydrophobicContact CE-CE2 3.32Å; M60-Y113 HydrophobicContact CG-CD1 3.81Å; M60-Y113 HydrophobicContact CG-CD2 4.28Å; M60-Y113 HydrophobicContact CG-CE1 3.65Å; M60-Y113 HydrophobicContact CG-CE2 4.15Å; M60-Y113 HydrophobicContact CG-CG 4.11Å; M60-Y113 HydrophobicContact SD-CD2 4.29Å; M60-Y113 HydrophobicContact SD-CE2 4.2Å |
| 61 | D | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 177 | -75.9 | -3.7 | 0 | 0 | 0 | 111.7 | Q57 L58 A63 D64 R65 R291 | Q57-D61 PolarHBondContact NE2-OD1 3.35Å; Q57-D61 WeakPolarHBondContact O-CB 3.15Å; Q57-D61 VanDerWaalsContact O-CG 3.31Å; Q57-D61 PolarHBondContact O-N 3.46Å; L58-D61 PolarHBondContact O-N 3.45Å; D61-A63 VanDerWaalsContact C-N 3.34Å; D61-D64 PolarHBondContact O-N 3.33Å; D61-R65 WeakPolarHBondContact O-CG 3.38Å; D61-R65 PolarHBondContact O-N 3.2Å; D61-R291 IonicContact OD2-CZ 2.72Å; D61-R291 IonicContact OD2-NH1 3.56Å; D61-R291 PolarHBondContact OD2-NH1 3.04Å |
| 62 | M | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 179.1 | -62.2 | -58.3 | 144.4 | 0 | 0 | 111.2 | W34 F40 L58 Y59 M60 R65 M66 D289 L290 R291 | W34-M62 HydrophobicContact CD2-CB 4.3Å; W34-M62 HydrophobicContact CD2-CG 4.25Å; W34-M62 HydrophobicContact CE3-CB 4.47Å; W34-M62 HydrophobicContact CE3-CG 4.5Å; W34-M62 HydrophobicContact CH2-CG 3.8Å; W34-M62 HydrophobicContact CZ2-CB 4.38Å; W34-M62 HydrophobicContact CZ2-CG 3.49Å; W34-M62 VanDerWaalsContact CZ2-CG 3.49Å; W34-M62 HydrophobicContact CZ2-SD 3.94Å; W34-M62 HydrophobicContact CZ3-CG 4.31Å; F40-M62 HydrophobicContact CZ-CE 3.86Å; L58-M62 HydrophobicContact CD1-CE 3.68Å; L58-M62 HydrophobicContact CD1-CG 4.47Å; L58-M62 VanDerWaalsContact O-CG 3.3Å; L58-M62 WeakPolarHBondContact O-CG 3.46Å; L58-M62 PolarHBondContact O-N 2.94Å; L58-M62 VanDerWaalsContact O-N 3.13Å; Y59-M62 PolarHBondContact O-N 3.29Å; M60-M62 PolarHBondContact O-N 3.2Å; M62-R65 PolarHBondContact O-N 2.87Å; M62-M66 WeakPolarHBondContact O-CB 3.46Å; M62-M66 VanDerWaalsContact O-CG 3.25Å; M62-M66 WeakPolarHBondContact O-CG 3.5Å; M62-M66 PolarHBondContact O-N 3.08Å; M62-D289 WeakPolarHBondContact CE-OD1 3.4Å; M62-L290 HydrophobicContact SD-CB 3.86Å; M62-L290 HydrophobicContact SD-CD1 4.35Å; M62-L290 HydrophobicContact SD-CG 4.05Å; M62-R291 HydrophobicContact CE-CG 4.22Å |
| 63 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | Y59 M60 D61 R65 M66 V67 V79 Y113 M114 L119 | Y59-A63 WeakPolarHBondContact O-CB 3.31Å; Y59-A63 PolarHBondContact O-N 2.72Å; M60-A63 WeakPolarHBondContact O-CB 3.49Å; M60-A63 PolarHBondContact O-N 2.92Å; D61-A63 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 2.71Å; A63-M66 PolarHBondContact O-N 2.87Å; A63-V67 WeakPolarHBondContact O-CG2 3.46Å; A63-V67 PolarHBondContact O-N 2.88Å; A63-V67 VanDerWaalsContact O-N 3.12Å; A63-V79 HydrophobicContact CB-CG2 4.16Å; A63-Y113 HydrophobicContact CB-CE1 4.27Å; A63-M114 HydrophobicContact CB-CE 3.88Å; A63-M114 HydrophobicContact CB-SD 3.39Å; A63-M114 WeakPolarHBondContact CB-SD 3.47Å; A63-L119 HydrophobicContact CB-CD1 3.61Å; A63-L119 WeakPolarHBondContact O-CD1 3.47Å |
| 64 | D | 98.9 | Very high | 98.8 | Very high | 25 Ų | 25 | 31 Ų | 31 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.6 | -69.7 | -31.7 | 0 | 0 | 0 | 111 | M60 D61 M66 V67 E68 Y113 R117 | M60-D64 PolarHBondContact O-N 3.43Å; D61-D64 PolarHBondContact O-N 3.33Å; D64-M66 PolarHBondContact O-N 3.09Å; D64-V67 PolarHBondContact O-N 2.75Å; D64-E68 WeakPolarHBondContact O-CB 3.46Å; D64-E68 VanDerWaalsContact O-CG 3.32Å; D64-E68 WeakPolarHBondContact O-CG 3.33Å; D64-E68 PolarHBondContact O-N 3.4Å; D64-Y113 VanDerWaalsContact CG-OH 3.3Å; D64-Y113 PolarHBondContact OD1-OH 3.47Å; D64-Y113 VanDerWaalsContact OD1-OH 3.06Å; D64-Y113 PolarHBondContact OD2-OH 3.25Å; D64-R117 IonicContact OD1-CZ 2.64Å; D64-R117 IonicContact OD1-NE 3.81Å; D64-R117 PolarHBondContact OD1-NE 2.97Å; D64-R117 IonicContact OD1-NH2 3.62Å; D64-R117 PolarHBondContact OD1-NH2 3.39Å |
| 65 | R | 98.9 | Very high | 98.8 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 21% | 0.211 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 174.8 | -65.6 | -55.4 | 83.8 | 69.4 | -2.4 | 112.7 | D61 M62 A63 V67 E68 D69 L290 R291 | D61-R65 WeakPolarHBondContact O-CG 3.38Å; D61-R65 PolarHBondContact O-N 3.2Å; M62-R65 PolarHBondContact O-N 2.87Å; A63-R65 PolarHBondContact O-N 2.71Å; R65-V67 VanDerWaalsContact C-N 3.26Å; R65-V67 PolarHBondContact O-N 2.81Å; R65-E68 IonicContact CZ-OE2 3.56Å; R65-E68 IonicContact NE-OE2 3.58Å; R65-E68 PolarHBondContact NE-OE2 3.15Å; R65-E68 IonicContact NH2-OE1 3.3Å; R65-E68 PolarHBondContact NH2-OE1 2.82Å; R65-E68 VanDerWaalsContact NH2-OE1 3.13Å; R65-E68 IonicContact NH2-OE2 3.4Å; R65-E68 PolarHBondContact NH2-OE2 2.94Å; R65-E68 PolarHBondContact O-N 2.73Å; R65-D69 VanDerWaalsContact O-CB 3.23Å; R65-D69 WeakPolarHBondContact O-CB 3.47Å; R65-D69 PolarHBondContact O-N 3.39Å; R65-L290 HydrophobicContact CB-CB 3.79Å; R65-L290 HydrophobicContact CB-CD1 4.45Å; R65-L290 HydrophobicContact CG-CB 4.3Å; R65-R291 HydrophobicContact CG-CG 4.15Å |
| 66 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -38 | 177.1 | -77.6 | 175.6 | 73.4 | 0 | 0 | 112.3 | W34 M62 A63 D64 Y71 L72 Y76 F78 V79 L119 L290 | W34-M66 HydrophobicContact CB-CE 4.42Å; W34-M66 HydrophobicContact CB-SD 3.77Å; M62-M66 WeakPolarHBondContact O-CB 3.46Å; M62-M66 VanDerWaalsContact O-CG 3.25Å; M62-M66 WeakPolarHBondContact O-CG 3.5Å; M62-M66 PolarHBondContact O-N 3.08Å; A63-M66 PolarHBondContact O-N 2.87Å; D64-M66 PolarHBondContact O-N 3.09Å; M66-Y71 WeakPolarHBondContact O-CA 3.37Å; M66-Y71 WeakPolarHBondContact O-CB 3.28Å; M66-Y71 PolarHBondContact O-N 3.04Å; M66-L72 PolarHBondContact O-N 3.4Å; M66-Y76 WeakPolarHBondContact CE-O 3.19Å; M66-F78 WeakPolarHBondContact CE-O 3.45Å; M66-V79 HydrophobicContact CE-CG2 4.36Å; M66-V79 HydrophobicContact SD-CG2 3.55Å; M66-V79 VanDerWaalsContact SD-CG2 3.55Å; M66-L119 HydrophobicContact CB-CD1 4.39Å; M66-L119 HydrophobicContact CB-CD2 4.36Å; M66-L119 HydrophobicContact CE-CD2 3.95Å; M66-L290 HydrophobicContact CG-CD1 3.5Å; M66-L290 VanDerWaalsContact CG-CD1 3.5Å; M66-L290 HydrophobicContact SD-CD1 4.43Å |
| 67 | V | 98.8 | Very high | 98.8 | Very high | 59 Ų | 59 | 32.9 Ų | 32.9 | 36% | 0.358 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -74.1 | -54.3 | 177.1 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | A63 D64 R65 G70 L72 R117 L119 | A63-V67 WeakPolarHBondContact O-CG2 3.46Å; A63-V67 PolarHBondContact O-N 2.88Å; A63-V67 VanDerWaalsContact O-N 3.12Å; D64-V67 PolarHBondContact O-N 2.75Å; R65-V67 VanDerWaalsContact C-N 3.26Å; R65-V67 PolarHBondContact O-N 2.81Å; V67-G70 PolarHBondContact O-N 2.9Å; V67-L72 HydrophobicContact CG2-CD2 4.13Å; V67-R117 HydrophobicContact CG2-CB 3.86Å; V67-R117 HydrophobicContact CG2-CG 4.26Å; V67-L119 HydrophobicContact CG2-CD1 3.95Å; V67-L119 HydrophobicContact CG2-CG 4.32Å |
| 68 | E | 98.7 | Very high | 98.8 | Very high | 126 Ų | 126 | 29 Ų | 29 | 59% | 0.589 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -70.3 | -36.4 | -170.7 | -69.3 | 172.1 | -163.9 | 0 | 0 | 113.2 | D64 R65 G70 | D64-E68 WeakPolarHBondContact O-CB 3.46Å; D64-E68 VanDerWaalsContact O-CG 3.32Å; D64-E68 WeakPolarHBondContact O-CG 3.33Å; D64-E68 PolarHBondContact O-N 3.4Å; R65-E68 IonicContact CZ-OE2 3.56Å; R65-E68 IonicContact NE-OE2 3.58Å; R65-E68 PolarHBondContact NE-OE2 3.15Å; R65-E68 IonicContact NH2-OE1 3.3Å; R65-E68 PolarHBondContact NH2-OE1 2.82Å; R65-E68 VanDerWaalsContact NH2-OE1 3.13Å; R65-E68 IonicContact NH2-OE2 3.4Å; R65-E68 PolarHBondContact NH2-OE2 2.94Å; R65-E68 PolarHBondContact O-N 2.73Å; E68-G70 VanDerWaalsContact C-N 3.32Å; E68-G70 PolarHBondContact O-N 3.01Å |
| 69 | D | 98.7 | Very high | 98.8 | Very high | 50 Ų | 50 | 29 Ų | 29 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 8.1 | -176.5 | -62 | -33.9 | 0 | 0 | 0 | 113 | R65 Y71 L302 | R65-D69 VanDerWaalsContact O-CB 3.23Å; R65-D69 WeakPolarHBondContact O-CB 3.47Å; R65-D69 PolarHBondContact O-N 3.39Å; D69-Y71 HydrophobicContact CB-CD2 3.89Å; D69-Y71 HydrophobicContact CB-CE2 3.66Å; D69-L302 WeakPolarHBondContact O-CD1 3.43Å |
| 70 | G | 98.6 | Very high | 98.8 | Very high | 25 Ų | 25 | 29.2 Ų | 29.2 | 26% | 0.258 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 9.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | V67 E68 A73 A74 | V67-G70 PolarHBondContact O-N 2.9Å; E68-G70 VanDerWaalsContact C-N 3.32Å; E68-G70 PolarHBondContact O-N 3.01Å; G70-A73 PolarHBondContact O-N 2.91Å; G70-A74 WeakPolarHBondContact O-CB 3.35Å; G70-A74 PolarHBondContact O-N 3.34Å |
| 71 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.7 | -43 | 176.3 | -63.4 | -90.1 | 0 | 0 | 0 | 112.2 | M66 D69 A73 A74 G75 Y76 M286 L290 I293 R298 L301 L302 | M66-Y71 WeakPolarHBondContact O-CA 3.37Å; M66-Y71 WeakPolarHBondContact O-CB 3.28Å; M66-Y71 PolarHBondContact O-N 3.04Å; D69-Y71 HydrophobicContact CB-CD2 3.89Å; D69-Y71 HydrophobicContact CB-CE2 3.66Å; Y71-A73 VanDerWaalsContact C-N 3.32Å; Y71-A73 PolarHBondContact O-N 3.11Å; Y71-A74 CarbonylContact O-C 3.45Å; Y71-A74 WeakPolarHBondContact O-CA 3.39Å; Y71-A74 WeakPolarHBondContact O-CB 3.28Å; Y71-A74 PolarHBondContact O-N 2.83Å; Y71-G75 PolarHBondContact O-N 2.83Å; Y71-Y76 HydrophobicContact CD1-CD2 4.02Å; Y71-Y76 HydrophobicContact CD1-CE2 4.31Å; Y71-Y76 WeakPolarHBondContact O-CB 3.3Å; Y71-Y76 WeakPolarHBondContact O-CD2 3.42Å; Y71-Y76 PolarHBondContact O-N 2.93Å; Y71-M286 HydrophobicContact CD1-CE 3.61Å; Y71-M286 HydrophobicContact CD1-SD 3.65Å; Y71-M286 HydrophobicContact CE1-CE 4.1Å; Y71-M286 HydrophobicContact CE1-SD 3.63Å; Y71-M286 HydrophobicContact CG-CE 4.21Å; Y71-L290 HydrophobicContact CE1-CD2 4.07Å; Y71-L290 HydrophobicContact CE2-CD2 4.01Å; Y71-I293 WeakPolarHBondContact OH-CG2 3.07Å; Y71-R298 WeakPolarHBondContact OH-CG 3.47Å; Y71-L301 HydrophobicContact CE1-CB 4.16Å; Y71-L301 HydrophobicContact CE1-CD1 4.26Å; Y71-L302 HydrophobicContact CD1-CD2 3.46Å; Y71-L302 VanDerWaalsContact CD1-CD2 3.46Å; Y71-L302 HydrophobicContact CD1-CG 4.34Å; Y71-L302 HydrophobicContact CE1-CD2 3.87Å; Y71-L302 HydrophobicContact CE1-CG 4.25Å; Y71-L302 HydrophobicContact CG-CD2 3.82Å |
| 72 | L | 98.8 | Very high | 98.8 | Very high | 47 Ų | 47 | 26.5 Ų | 26.5 | 25% | 0.246 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -46 | 174.1 | 176.3 | 55.6 | 0 | 0 | 0 | 110.9 | M66 V67 A74 G75 Y76 N77 R117 L119 | M66-L72 PolarHBondContact O-N 3.4Å; V67-L72 HydrophobicContact CG2-CD2 4.13Å; L72-A74 PolarHBondContact O-N 2.98Å; L72-G75 PolarHBondContact O-N 2.82Å; L72-Y76 VanDerWaalsContact CA-O 3.31Å; L72-Y76 WeakPolarHBondContact CA-O 3.46Å; L72-N77 HydrophobicContact CD1-CB 3.81Å; L72-R117 WeakPolarHBondContact CD2-O 3.19Å; L72-L119 HydrophobicContact CB-CD2 4.27Å; L72-L119 HydrophobicContact CD1-CD2 3.94Å; L72-L119 HydrophobicContact CD2-CD2 4.3Å; L72-L119 HydrophobicContact CD2-CG 4.41Å; L72-L119 HydrophobicContact CG-CD2 4.39Å |
| 73 | A | 98.7 | Very high | 98.8 | Very high | 68 Ų | 68 | 26.5 Ų | 26.5 | 56% | 0.562 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -59.5 | -33.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | G70 Y71 G75 R304 | G70-A73 PolarHBondContact O-N 2.91Å; Y71-A73 VanDerWaalsContact C-N 3.32Å; Y71-A73 PolarHBondContact O-N 3.11Å; A73-G75 VanDerWaalsContact C-N 3.3Å; A73-R304 PolarHBondContact O-NH1 3.4Å; A73-R304 PolarHBondContact O-NH2 3.06Å |
| 74 | A | 98.8 | Very high | 98.8 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.2 | -17.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | G70 Y71 L72 Y76 L302 R304 I307 | G70-A74 WeakPolarHBondContact O-CB 3.35Å; G70-A74 PolarHBondContact O-N 3.34Å; Y71-A74 CarbonylContact O-C 3.45Å; Y71-A74 WeakPolarHBondContact O-CA 3.39Å; Y71-A74 WeakPolarHBondContact O-CB 3.28Å; Y71-A74 PolarHBondContact O-N 2.83Å; L72-A74 PolarHBondContact O-N 2.98Å; A74-Y76 HydrophobicContact CB-CD2 4.03Å; A74-Y76 HydrophobicContact CB-CE2 4.26Å; A74-L302 HydrophobicContact CB-CD2 3.57Å; A74-R304 VanDerWaalsContact CA-NH1 3.31Å; A74-I307 HydrophobicContact CB-CD1 3.96Å |
| 75 | G | 98.7 | Very high | 98.8 | Very high | 26 Ų | 26 | 25.3 Ų | 25.3 | 27% | 0.268 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 116.4 | -13.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y71 L72 A73 N77 | Y71-G75 PolarHBondContact O-N 2.83Å; L72-G75 PolarHBondContact O-N 2.82Å; A73-G75 VanDerWaalsContact C-N 3.3Å; G75-N77 PolarHBondContact O-N 2.74Å |
| 76 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -68.7 | 101.2 | 176.1 | -61.7 | -87.9 | 0 | 0 | 0 | 109.9 | M32 M66 Y71 L72 A74 L284 M286 L301 L302 I307 | M32-Y76 HydrophobicContact CB-CD1 3.95Å; M32-Y76 HydrophobicContact CB-CE1 4.46Å; M32-Y76 HydrophobicContact CB-CG 4.31Å; M32-Y76 HydrophobicContact CE-CD1 4.01Å; M32-Y76 HydrophobicContact CE-CD2 3.75Å; M32-Y76 HydrophobicContact CE-CE1 3.84Å; M32-Y76 HydrophobicContact CE-CE2 3.56Å; M32-Y76 HydrophobicContact CE-CG 3.96Å; M66-Y76 WeakPolarHBondContact CE-O 3.19Å; Y71-Y76 HydrophobicContact CD1-CD2 4.02Å; Y71-Y76 HydrophobicContact CD1-CE2 4.31Å; Y71-Y76 WeakPolarHBondContact O-CB 3.3Å; Y71-Y76 WeakPolarHBondContact O-CD2 3.42Å; Y71-Y76 PolarHBondContact O-N 2.93Å; L72-Y76 VanDerWaalsContact CA-O 3.31Å; L72-Y76 WeakPolarHBondContact CA-O 3.46Å; A74-Y76 HydrophobicContact CB-CD2 4.03Å; A74-Y76 HydrophobicContact CB-CE2 4.26Å; Y76-L284 WeakPolarHBondContact CD1-O 3.24Å; Y76-L284 HydrophobicContact CE1-CB 4Å; Y76-L284 VanDerWaalsContact CE1-O 3.26Å; Y76-L284 WeakPolarHBondContact CE1-O 3.42Å; Y76-M286 HydrophobicContact CD1-CE 3.64Å; Y76-M286 HydrophobicContact CD1-CG 4.11Å; Y76-M286 HydrophobicContact CD1-SD 4.02Å; Y76-M286 HydrophobicContact CD2-CE 4.47Å; Y76-M286 HydrophobicContact CE1-CE 4.13Å; Y76-M286 HydrophobicContact CE1-CG 3.76Å; Y76-M286 HydrophobicContact CE1-SD 3.87Å; Y76-M286 HydrophobicContact CG-CE 3.84Å; Y76-M286 HydrophobicContact CG-SD 4.46Å; Y76-L301 WeakPolarHBondContact CE2-O 3.45Å; Y76-L301 PolarHBondContact OH-O 3.28Å; Y76-L302 HydrophobicContact CE2-CD2 4.42Å; Y76-I307 HydrophobicContact CE2-CD1 4.19Å | ||
| 77 | N | 98.8 | Very high | 98.7 | Very high | 49 Ų | 49 | 26.6 Ų | 26.6 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | trans | -123.1 | -5.4 | -167.9 | 62.6 | 13.1 | 0 | 0 | 0 | 114.4 | M32 L72 G75 L119 K120 | M32-N77 PolarHBondContact O-N 2.66Å; M32-N77 PolarHBondContact O-OD1 3.27Å; L72-N77 HydrophobicContact CD1-CB 3.81Å; G75-N77 PolarHBondContact O-N 2.74Å; N77-L119 CarbonylContact O-C 3.45Å; N77-L119 WeakPolarHBondContact O-CA 3.46Å; N77-K120 WeakPolarHBondContact O-CB 3.37Å; N77-K120 PolarHBondContact O-N 3.41Å | ||
| 78 | F | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.7 | 172.9 | -73.9 | -85.1 | 0 | 0 | 0 | 112.2 | M32 G33 W34 M66 N80 K120 D155 M156 V188 | M32-F78 PolarHBondContact O-N 3.05Å; G33-F78 CarbonylContact C-O 3.49Å; G33-F78 WeakPolarHBondContact CA-O 3.27Å; W34-F78 PolarHBondContact N-O 3.32Å; M66-F78 WeakPolarHBondContact CE-O 3.45Å; F78-N80 WeakPolarHBondContact CB-OD1 3.46Å; F78-K120 CarbonylContact C-O 3.57Å; F78-K120 WeakPolarHBondContact CA-O 2.85Å; F78-K120 HydrophobicContact CD1-CB 3.54Å; F78-K120 HydrophobicContact CD1-CD 4.24Å; F78-K120 HydrophobicContact CE1-CB 3.64Å; F78-K120 HydrophobicContact CE1-CD 3.61Å; F78-K120 HydrophobicContact CE1-CG 4.27Å; F78-K120 HydrophobicContact CE2-CD 4.02Å; F78-K120 HydrophobicContact CG-CB 4.17Å; F78-K120 HydrophobicContact CZ-CB 4.34Å; F78-K120 HydrophobicContact CZ-CD 3.48Å; F78-K120 VanDerWaalsContact CZ-CD 3.48Å; F78-D155 HydrophobicContact CE1-CB 3.96Å; F78-M156 HydrophobicContact CD1-CB 3.9Å; F78-M156 HydrophobicContact CD1-SD 4.17Å; F78-M156 HydrophobicContact CE1-CB 3.76Å; F78-M156 HydrophobicContact CE1-SD 4.43Å; F78-M156 HydrophobicContact CG-SD 4.43Å; F78-V188 HydrophobicContact CE1-CG2 4.35Å; F78-V188 HydrophobicContact CZ-CG2 3.79Å |
| 79 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 111.7 | 162.9 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | W34 Y59 A63 M66 M114 L119 K120 L121 G122 | W34-V79 HydrophobicContact CE3-CG1 4.23Å; Y59-V79 HydrophobicContact CD1-CG1 4.05Å; A63-V79 HydrophobicContact CB-CG2 4.16Å; M66-V79 HydrophobicContact CE-CG2 4.36Å; M66-V79 HydrophobicContact SD-CG2 3.55Å; M66-V79 VanDerWaalsContact SD-CG2 3.55Å; V79-M114 HydrophobicContact CB-CE 4.13Å; V79-M114 HydrophobicContact CB-SD 3.88Å; V79-M114 HydrophobicContact CG1-CE 3.82Å; V79-M114 HydrophobicContact CG1-SD 4.23Å; V79-M114 HydrophobicContact CG2-CE 4.48Å; V79-M114 HydrophobicContact CG2-SD 3.84Å; V79-L119 HydrophobicContact CG2-CD1 4.05Å; V79-K120 PolarHBondContact N-O 3.39Å; V79-L121 WeakPolarHBondContact O-CA 3.47Å; V79-G122 PolarHBondContact O-N 3.33Å |
| 80 | N | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.9 | -170.3 | -60.5 | -27.4 | 0 | 0 | 0 | 110.9 | W34 L35 S36 F78 G122 | W34-N80 WeakPolarHBondContact O-CB 3.24Å; W34-N80 PolarHBondContact O-N 3.08Å; L35-N80 HydrophobicContact CB-CB 4.18Å; L35-N80 HydrophobicContact CD1-CB 3.36Å; L35-N80 HydrophobicContact CG-CB 4.38Å; S36-N80 PolarHBondContact N-O 3.13Å; F78-N80 WeakPolarHBondContact CB-OD1 3.46Å; N80-G122 WeakPolarHBondContact OD1-CA 3.49Å; N80-G122 PolarHBondContact OD1-N 3.27Å |
| 81 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -81.9 | 129.2 | 168.8 | -59.2 | 169.3 | 0 | 0 | 0 | 108.2 | Y59 W85 I107 L110 L121 G122 I123 Y124 | Y59-I81 HydrophobicContact CD1-CG1 3.87Å; Y59-I81 HydrophobicContact CD2-CG1 4.24Å; Y59-I81 HydrophobicContact CE1-CB 4.07Å; Y59-I81 HydrophobicContact CE1-CG1 3.64Å; Y59-I81 HydrophobicContact CE1-CG2 4.47Å; Y59-I81 HydrophobicContact CE2-CG1 4.07Å; Y59-I81 HydrophobicContact CE2-CG2 4.44Å; Y59-I81 HydrophobicContact CG-CG1 4.18Å; I81-W85 HydrophobicContact CG2-CB 3.41Å; I81-W85 VanDerWaalsContact CG2-CB 3.41Å; I81-W85 HydrophobicContact CG2-CG 3.64Å; I81-I107 HydrophobicContact CD1-CD1 4.06Å; I81-L110 HydrophobicContact CD1-CD2 3.84Å; I81-L121 HydrophobicContact CD1-CD1 4.03Å; I81-L121 HydrophobicContact CD1-CD2 4.39Å; I81-L121 HydrophobicContact CG1-CD1 4.22Å; I81-G122 PolarHBondContact N-O 2.73Å; I81-I123 HydrophobicContact CB-CG1 4.46Å; I81-I123 CarbonylContact O-C 3.55Å; I81-Y124 WeakPolarHBondContact O-CB 3.48Å; I81-Y124 PolarHBondContact O-N 2.78Å | ||
| 82 | D | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -97.5 | -160 | 171.6 | -147.2 | -86.3 | 0 | 0 | 0 | 111.9 | L35 S36 W37 Y124 K158 | L35-D82 HydrophobicContact CD1-CB 3.88Å; L35-D82 WeakPolarHBondContact CD1-OD2 3.36Å; L35-D82 HydrophobicContact CG-CB 4.38Å; S36-D82 PolarHBondContact OG-N 2.8Å; W37-D82 HydrophobicContact CB-CB 3.84Å; W37-D82 HydrophobicContact CE3-CB 4.21Å; D82-Y124 WeakPolarHBondContact O-CB 3.26Å; D82-K158 IonicContact OD1-NZ 3.19Å; D82-K158 PolarHBondContact OD1-NZ 2.79Å; D82-K158 WeakPolarHBondContact OD2-CD 3.4Å; D82-K158 IonicContact OD2-NZ 3.81Å; D82-K158 PolarHBondContact OD2-NZ 3.45Å | ||
| 83 | D | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 165.2 | -179.5 | -156.1 | -4.4 | 0 | 0 | 0 | 112.8 | W37 W85 Y124 T131 C132 A133 | W37-D83 HydrophobicContact CE3-CB 4.39Å; W37-D83 HydrophobicContact CH2-CB 4.32Å; W37-D83 HydrophobicContact CZ3-CB 3.81Å; D83-W85 PolarHBondContact O-N 2.81Å; D83-Y124 HydrophobicContact CB-CD1 3.97Å; D83-Y124 HydrophobicContact CB-CE1 3.6Å; D83-Y124 HydrophobicContact CB-CE2 4.25Å; D83-Y124 HydrophobicContact CB-CG 4.46Å; D83-Y124 VanDerWaalsContact CG-CE1 3.44Å; D83-Y124 WeakPolarHBondContact OD1-CE1 3.36Å; D83-T131 VanDerWaalsContact CG-OG1 3.27Å; D83-T131 WeakPolarHBondContact OD1-CB 3.4Å; D83-T131 WeakPolarHBondContact OD1-CG2 3.44Å; D83-T131 PolarHBondContact OD1-OG1 3.06Å; D83-T131 VanDerWaalsContact OD2-CB 3.24Å; D83-T131 WeakPolarHBondContact OD2-CB 3.2Å; D83-T131 PolarHBondContact OD2-OG1 3.13Å; D83-C132 PolarHBondContact OD2-N 2.84Å; D83-A133 WeakPolarHBondContact OD2-CB 2.98Å; D83-A133 PolarHBondContact OD2-N 2.95Å |
| 84 | C | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 13.1 | 173.3 | -39.4 | 0 | 0 | 0 | 0 | 117.2 | C42 L44 R102 A133 F135 | C42-C84 HydrophobicContact CB-CB 4.1Å; C42-C84 WeakPolarHBondContact CB-SG 3.43Å; C42-C84 WeakPolarHBondContact SG-CB 3.06Å; C42-C84 CovalentContact SG-SG 2.02Å; C42-C84 PolarHBondContact SG-SG 2.78Å; L44-C84 HydrophobicContact CD2-CB 3.82Å; C84-R102 VanDerWaalsContact O-CZ 3.24Å; C84-R102 PolarHBondContact O-NH1 2.88Å; C84-R102 PolarHBondContact O-NH2 3.07Å; C84-A133 WeakPolarHBondContact SG-CB 3.5Å; C84-F135 HydrophobicContact CB-CD2 4.26Å; C84-F135 HydrophobicContact CB-CE2 3.53Å; C84-F135 HydrophobicContact CB-CZ 3.82Å; C84-F135 VanDerWaalsContact SG-CE2 3.57Å |
| 85 | W | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -78.1 | -26.5 | 176 | 70.1 | -94 | 0 | 0 | 0 | 114.4 | I81 D83 L96 A98 D99 F103 I107 I123 Y124 F149 W152 | I81-W85 HydrophobicContact CG2-CB 3.41Å; I81-W85 VanDerWaalsContact CG2-CB 3.41Å; I81-W85 HydrophobicContact CG2-CG 3.64Å; D83-W85 PolarHBondContact O-N 2.81Å; W85-L96 HydrophobicContact CH2-CB 3.91Å; W85-L96 HydrophobicContact CZ2-CB 4.33Å; W85-L96 HydrophobicContact CZ2-CD1 4.15Å; W85-A98 HydrophobicContact CE3-CB 3.91Å; W85-A98 HydrophobicContact CZ3-CB 3.85Å; W85-D99 PolarHBondContact O-N 2.93Å; W85-D99 VanDerWaalsContact O-N 3.08Å; W85-F103 HydrophobicContact CB-CE2 3.94Å; W85-F103 HydrophobicContact CB-CZ 3.84Å; W85-F103 WeakPolarHBondContact O-CD2 3.38Å; W85-F103 WeakPolarHBondContact O-CE2 3.43Å; W85-I107 HydrophobicContact CE3-CD1 3.75Å; W85-I107 HydrophobicContact CE3-CG1 3.89Å; W85-I107 HydrophobicContact CH2-CG1 4.44Å; W85-I107 HydrophobicContact CZ3-CD1 4.05Å; W85-I107 HydrophobicContact CZ3-CG1 3.64Å; W85-I123 HydrophobicContact CD2-CD1 4.23Å; W85-I123 HydrophobicContact CD2-CG1 4.41Å; W85-I123 HydrophobicContact CE3-CD1 4.48Å; W85-I123 HydrophobicContact CH2-CD1 4.09Å; W85-I123 HydrophobicContact CZ2-CD1 3.77Å; W85-I123 HydrophobicContact CZ2-CG1 4.1Å; W85-I123 HydrophobicContact CZ3-CD1 4.4Å; W85-Y124 PolarHBondContact NE1-O 2.9Å; W85-F149 HydrophobicContact CZ2-CE1 4.35Å; W85-W152 AromaticContact CH2-CH2 3.65Å; W85-W152 HydrophobicContact CH2-CH2 3.65Å; W85-W152 AromaticContact CH2-CZ3 3.47Å; W85-W152 HydrophobicContact CH2-CZ3 3.47Å; W85-W152 VanDerWaalsContact CH2-CZ3 3.47Å; W85-W152 HydrophobicContact CZ2-CZ3 4.3Å; W85-W152 HydrophobicContact CZ3-CH2 4.05Å; W85-W152 AromaticContact CZ3-CZ3 3.99Å; W85-W152 HydrophobicContact CZ3-CZ3 3.99Å | ||
| 86 | M | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -92.3 | 164.6 | -170.5 | 68 | -164.3 | 85.3 | 0 | 0 | 113 | L96 V97 T131 F135 | M86-L96 HydrophobicContact SD-CD2 3.65Å; M86-V97 CarbonylContact C-O 3.58Å; M86-V97 WeakPolarHBondContact CA-O 3.44Å; M86-V97 WeakPolarHBondContact CB-O 3.44Å; M86-T131 HydrophobicContact CE-CG2 4.03Å; M86-T131 HydrophobicContact SD-CG2 4.49Å; M86-F135 HydrophobicContact CE-CB 4.48Å; M86-F135 HydrophobicContact CG-CB 3.75Å; M86-F135 HydrophobicContact CG-CD1 3.79Å; M86-F135 HydrophobicContact CG-CG 4.07Å; M86-F135 WeakPolarHBondContact O-CD1 3.46Å; M86-F135 WeakPolarHBondContact O-CE1 3.23Å; M86-F135 HydrophobicContact SD-CB 3.92Å |
| 87 | K | 97.7 | Very high | 98.4 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 35% | 0.352 | 22% | 0.22 | S | C | . | . | trans | -65.3 | 156.3 | 166.3 | -64.4 | -173.3 | 86.4 | 171.2 | 0 | 110.7 | T89 V97 P100 P136 | K87-T89 WeakPolarHBondContact CB-O 3.26Å; K87-T89 PolarHBondContact O-N 3.38Å; K87-T89 VanDerWaalsContact O-N 3.12Å; K87-V97 HydrophobicContact CD-CB 4.24Å; K87-V97 HydrophobicContact CD-CG1 4.06Å; K87-V97 HydrophobicContact CG-CB 4.48Å; K87-V97 PolarHBondContact N-O 2.86Å; K87-P100 HydrophobicContact CD-CG 4.43Å; K87-P136 VanDerWaalsContact O-CD 3.23Å; K87-P136 WeakPolarHBondContact O-CD 3.12Å | ||
| 88 | M | 97.3 | Very high | 98.4 | Very high | 117 Ų | 117 | 37.4 Ų | 37.4 | 58% | 0.576 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -65.8 | -9.8 | 171.9 | -68.8 | -62.5 | -71.8 | 0 | 0 | 113.9 | F135 P136 | M88-F135 HydrophobicContact CG-CD1 4.41Å; M88-F135 HydrophobicContact CG-CE1 4.24Å; M88-F135 HydrophobicContact SD-CD1 3.53Å; M88-F135 VanDerWaalsContact SD-CD1 3.53Å; M88-F135 HydrophobicContact SD-CD2 4.46Å; M88-F135 HydrophobicContact SD-CE1 3.58Å; M88-F135 VanDerWaalsContact SD-CE1 3.58Å; M88-F135 HydrophobicContact SD-CE2 4.48Å; M88-F135 HydrophobicContact SD-CG 4Å; M88-F135 HydrophobicContact SD-CZ 4.08Å; M88-P136 WeakPolarHBondContact O-CG 3.49Å |
| 89 | T | 97.5 | Very high | 98.3 | Very high | 93 Ų | 93 | 38.3 Ų | 38.3 | 57% | 0.571 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -132.9 | 145.4 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | K87 | K87-T89 WeakPolarHBondContact CB-O 3.26Å; K87-T89 PolarHBondContact O-N 3.38Å; K87-T89 VanDerWaalsContact O-N 3.12Å |
| 90 | R | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 15% | 0.151 | 24% | 0.236 | C | C | . | . | trans | -73.3 | 161 | 169.5 | -73.1 | 167.9 | 173.6 | -82.3 | -1.7 | 110.3 | G94 R95 L96 P136 G137 D145 | R90-G94 VanDerWaalsContact CD-O 3.27Å; R90-G94 WeakPolarHBondContact CD-O 3.46Å; R90-G94 PolarHBondContact NH1-O 3.31Å; R90-R95 CarbonylContact C-O 3.51Å; R90-R95 VanDerWaalsContact CA-O 3.26Å; R90-R95 WeakPolarHBondContact CA-O 3.42Å; R90-R95 VanDerWaalsContact CB-O 3.28Å; R90-R95 WeakPolarHBondContact CB-O 3.21Å; R90-L96 HydrophobicContact CG-CD2 4.2Å; R90-L96 VanDerWaalsContact CZ-CD2 3.46Å; R90-P136 HydrophobicContact CG-CB 4.1Å; R90-P136 HydrophobicContact CG-CG 4.48Å; R90-G137 PolarHBondContact NH2-O 3.07Å; R90-D145 IonicContact CZ-OD1 3.25Å; R90-D145 IonicContact CZ-OD2 3.81Å; R90-D145 IonicContact NH1-OD1 2.68Å; R90-D145 PolarHBondContact NH1-OD1 3.07Å; R90-D145 IonicContact NH1-OD2 2.95Å; R90-D145 PolarHBondContact NH1-OD2 2.88Å; R90-D145 IonicContact NH2-OD1 3.74Å; R90-D145 IonicContact NH2-OD2 3.93Å; R90-D145 PolarHBondContact NH2-OD2 3.23Å | ||
| 91 | S | 97.9 | Very high | 98.2 | Very high | 42 Ų | 42 | 48 Ų | 48 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | trans | -65.9 | 170.9 | 169.6 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | D93 G94 R95 | S91-D93 VanDerWaalsContact CB-OD1 3.3Å; S91-D93 WeakPolarHBondContact CB-OD1 3.48Å; S91-D93 PolarHBondContact O-N 2.98Å; S91-D93 PolarHBondContact OG-OD1 3.26Å; S91-G94 PolarHBondContact O-N 3.4Å; S91-R95 PolarHBondContact N-O 3.09Å; S91-R95 WeakPolarHBondContact OG-CB 3.4Å; S91-R95 PolarHBondContact OG-N 2.73Å; S91-R95 VanDerWaalsContact OG-N 3.17Å; S91-R95 PolarHBondContact OG-O 3.02Å | ||
| 92 | A | 97.6 | Very high | 98.2 | Very high | 119 Ų | 119 | 48.7 Ų | 48.7 | 98% | 0.983 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G94 | A92-G94 VanDerWaalsContact C-N 3.34Š|
| 93 | D | 97.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 9.1 | 175.2 | 66.6 | -16.6 | 0 | 0 | 0 | 113.5 | S91 R95 | S91-D93 VanDerWaalsContact CB-OD1 3.3Å; S91-D93 WeakPolarHBondContact CB-OD1 3.48Å; S91-D93 PolarHBondContact O-N 2.98Å; S91-D93 PolarHBondContact OG-OD1 3.26Å; D93-R95 PolarHBondContact OD1-N 3.21Å; D93-R95 IonicContact OD2-CZ 3.9Å; D93-R95 IonicContact OD2-NH1 3.81Å; D93-R95 PolarHBondContact OD2-NH1 3.5Å |
| 94 | G | 98.1 | Very high | 98.2 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 83.5 | 4.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R90 S91 A92 L144 | R90-G94 VanDerWaalsContact CD-O 3.27Å; R90-G94 WeakPolarHBondContact CD-O 3.46Å; R90-G94 PolarHBondContact NH1-O 3.31Å; S91-G94 PolarHBondContact O-N 3.4Å; A92-G94 VanDerWaalsContact C-N 3.34Å; G94-L144 WeakPolarHBondContact O-CD2 3.37Å |
| 95 | R | 98.6 | Very high | 98.2 | Very high | 104 Ų | 104 | 56.7 Ų | 56.7 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | trans | -76 | 149.8 | 178.7 | -67.4 | -176.1 | 163.6 | 98.5 | 0.5 | 112.6 | R90 S91 D93 L144 | R90-R95 CarbonylContact C-O 3.51Å; R90-R95 VanDerWaalsContact CA-O 3.26Å; R90-R95 WeakPolarHBondContact CA-O 3.42Å; R90-R95 VanDerWaalsContact CB-O 3.28Å; R90-R95 WeakPolarHBondContact CB-O 3.21Å; S91-R95 PolarHBondContact N-O 3.09Å; S91-R95 WeakPolarHBondContact OG-CB 3.4Å; S91-R95 PolarHBondContact OG-N 2.73Å; S91-R95 VanDerWaalsContact OG-N 3.17Å; S91-R95 PolarHBondContact OG-O 3.02Å; D93-R95 PolarHBondContact OD1-N 3.21Å; D93-R95 IonicContact OD2-CZ 3.9Å; D93-R95 IonicContact OD2-NH1 3.81Å; D93-R95 PolarHBondContact OD2-NH1 3.5Å; R95-L144 HydrophobicContact CG-CD1 3.97Å; R95-L144 HydrophobicContact CG-CD2 4.12Å; R95-L144 HydrophobicContact CG-CG 4.13Å | ||
| 96 | L | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | trans | -63.1 | 142.8 | 164.9 | -66.2 | 174.9 | 0 | 0 | 0 | 109.7 | W85 M86 R90 P136 F149 W152 | W85-L96 HydrophobicContact CH2-CB 3.91Å; W85-L96 HydrophobicContact CZ2-CB 4.33Å; W85-L96 HydrophobicContact CZ2-CD1 4.15Å; M86-L96 HydrophobicContact SD-CD2 3.65Å; R90-L96 HydrophobicContact CG-CD2 4.2Å; R90-L96 VanDerWaalsContact CZ-CD2 3.46Å; L96-P136 HydrophobicContact CD2-CB 4.05Å; L96-F149 HydrophobicContact CD1-CE1 3.91Å; L96-F149 HydrophobicContact CD1-CZ 3.72Å; L96-W152 HydrophobicContact CB-CH2 4.36Å; L96-W152 WeakPolarHBondContact O-CH2 3.41Å; L96-W152 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 97 | V | 98.3 | Very high | 98.1 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 32% | 0.315 | 34% | 0.34 | S | S | . | . | trans | -132.1 | 131.7 | 180 | -172.1 | 0 | 0 | 0 | 0 | 108 | M86 K87 | M86-V97 CarbonylContact C-O 3.58Å; M86-V97 WeakPolarHBondContact CA-O 3.44Å; M86-V97 WeakPolarHBondContact CB-O 3.44Å; K87-V97 HydrophobicContact CD-CB 4.24Å; K87-V97 HydrophobicContact CD-CG1 4.06Å; K87-V97 HydrophobicContact CG-CB 4.48Å; K87-V97 PolarHBondContact N-O 2.86Å | ||
| 98 | A | 98.7 | Very high | 98.2 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -62.7 | 147.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | W85 P100 F103 I107 | W85-A98 HydrophobicContact CE3-CB 3.91Å; W85-A98 HydrophobicContact CZ3-CB 3.85Å; A98-P100 WeakPolarHBondContact O-CD 3.31Å; A98-P100 VanDerWaalsContact O-N 3.16Å; A98-F103 HydrophobicContact CB-CB 3.77Å; A98-F103 HydrophobicContact CB-CD2 4.48Å; A98-F103 HydrophobicContact CB-CG 4.24Å; A98-I107 HydrophobicContact CB-CD1 3.93Å; A98-I107 HydrophobicContact CB-CG1 3.94Å |
| 99 | D | 98.5 | Very high | 98.3 | Very high | 32 Ų | 32 | 57 Ų | 57 | 17% | 0.171 | 33% | 0.334 | C | S | . | . | trans | -60.8 | 117.2 | 172.5 | -173 | -48.7 | 0 | 0 | 0 | 110.1 | W85 D101 R102 F103 | W85-D99 PolarHBondContact O-N 2.93Å; W85-D99 VanDerWaalsContact O-N 3.08Å; D99-D101 VanDerWaalsContact C-N 3.26Å; D99-D101 PolarHBondContact O-N 3.1Å; D99-D101 PolarHBondContact OD1-N 3.35Å; D99-R102 HydrophobicContact CB-CB 4.25Å; D99-R102 PolarHBondContact O-N 3.29Å; D99-R102 PolarHBondContact OD1-N 2.86Å; D99-R102 IonicContact OD1-NE 3.56Å; D99-R102 IonicContact OD2-CZ 2.72Å; D99-R102 IonicContact OD2-NE 2.85Å; D99-R102 PolarHBondContact OD2-NE 2.92Å; D99-R102 IonicContact OD2-NH2 2.73Å; D99-R102 PolarHBondContact OD2-NH2 2.97Å; D99-F103 HydrophobicContact CB-CD2 4.43Å; D99-F103 WeakPolarHBondContact O-CA 3.4Å; D99-F103 WeakPolarHBondContact O-CB 3.32Å; D99-F103 PolarHBondContact O-N 2.81Å | ||
| 100 | P | 97.8 | Very high | 98.3 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -21.2 | -169.9 | 29.8 | -36.2 | 0 | 0 | 0 | 113 | K87 A98 P104 | K87-P100 HydrophobicContact CD-CG 4.43Å; A98-P100 WeakPolarHBondContact O-CD 3.31Å; A98-P100 VanDerWaalsContact O-N 3.16Å; P100-P104 VanDerWaalsContact O-CA 3.22Å; P100-P104 WeakPolarHBondContact O-CA 3.33Å |
| 101 | D | 97.5 | Very high | 98.3 | Very high | 148 Ų | 148 | 50.6 Ų | 50.6 | 79% | 0.791 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -31.3 | 177.9 | -62.2 | -32 | 0 | 0 | 0 | 110.4 | D99 | D99-D101 VanDerWaalsContact C-N 3.26Å; D99-D101 PolarHBondContact O-N 3.1Å; D99-D101 PolarHBondContact OD1-N 3.35Å |
| 102 | R | 98.3 | Very high | 98.4 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 6% | 0.06 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -27.8 | -178.2 | -62.5 | -178.8 | -66.4 | 119.4 | -7.6 | 113.4 | I54 N55 E56 C84 D99 P104 | I54-R102 WeakPolarHBondContact O-CD 3.23Å; I54-R102 PolarHBondContact O-NH1 3.46Å; N55-R102 CarbonylContact C-O 3.54Å; N55-R102 VanDerWaalsContact CA-O 3.3Å; N55-R102 WeakPolarHBondContact CA-O 3.49Å; N55-R102 HydrophobicContact CB-CB 4Å; N55-R102 VanDerWaalsContact CB-O 3.28Å; N55-R102 WeakPolarHBondContact CB-O 3.39Å; E56-R102 PolarHBondContact N-O 3.37Å; C84-R102 VanDerWaalsContact O-CZ 3.24Å; C84-R102 PolarHBondContact O-NH1 2.88Å; C84-R102 PolarHBondContact O-NH2 3.07Å; D99-R102 HydrophobicContact CB-CB 4.25Å; D99-R102 PolarHBondContact O-N 3.29Å; D99-R102 PolarHBondContact OD1-N 2.86Å; D99-R102 IonicContact OD1-NE 3.56Å; D99-R102 IonicContact OD2-CZ 2.72Å; D99-R102 IonicContact OD2-NE 2.85Å; D99-R102 PolarHBondContact OD2-NE 2.92Å; D99-R102 IonicContact OD2-NH2 2.73Å; D99-R102 PolarHBondContact OD2-NH2 2.97Å; R102-P104 VanDerWaalsContact C-CD 3.42Å |
| 103 | F | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | trans | -127.7 | 62.5 | 177.8 | -60.8 | -96 | 0 | 0 | 0 | 110.1 | I54 E56 Y59 W85 A98 D99 S105 G106 I107 L110 | I54-F103 HydrophobicContact CG2-CE2 4.37Å; I54-F103 HydrophobicContact CG2-CZ 4.09Å; E56-F103 HydrophobicContact CB-CD1 3.9Å; E56-F103 HydrophobicContact CB-CG 4.44Å; Y59-F103 AromaticContact CD2-CE1 3.82Å; Y59-F103 HydrophobicContact CD2-CE1 3.82Å; Y59-F103 HydrophobicContact CD2-CZ 4.25Å; Y59-F103 AromaticContact CE2-CE1 3.74Å; Y59-F103 HydrophobicContact CE2-CE1 3.74Å; Y59-F103 AromaticContact CE2-CZ 3.71Å; Y59-F103 HydrophobicContact CE2-CZ 3.71Å; W85-F103 HydrophobicContact CB-CE2 3.94Å; W85-F103 HydrophobicContact CB-CZ 3.84Å; W85-F103 WeakPolarHBondContact O-CD2 3.38Å; W85-F103 WeakPolarHBondContact O-CE2 3.43Å; A98-F103 HydrophobicContact CB-CB 3.77Å; A98-F103 HydrophobicContact CB-CD2 4.48Å; A98-F103 HydrophobicContact CB-CG 4.24Å; D99-F103 HydrophobicContact CB-CD2 4.43Å; D99-F103 WeakPolarHBondContact O-CA 3.4Å; D99-F103 WeakPolarHBondContact O-CB 3.32Å; D99-F103 PolarHBondContact O-N 2.81Å; F103-S105 PolarHBondContact O-N 2.83Å; F103-S105 VanDerWaalsContact O-N 3.17Å; F103-G106 PolarHBondContact O-N 2.82Å; F103-I107 HydrophobicContact CD1-CD1 4.07Å; F103-I107 HydrophobicContact CE1-CD1 4.43Å; F103-I107 HydrophobicContact CG-CD1 4.49Å; F103-L110 HydrophobicContact CD1-CD2 4.24Å; F103-L110 HydrophobicContact CE1-CD2 4.19Å | ||
| 104 | P | 98.3 | Very high | 98.5 | Very high | 96 Ų | 96 | 43 Ų | 43 | 62% | 0.623 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.9 | -171.9 | 25.5 | -35.6 | 0 | 0 | 0 | 113.4 | P100 R102 | P100-P104 VanDerWaalsContact O-CA 3.22Å; P100-P104 WeakPolarHBondContact O-CA 3.33Å; R102-P104 VanDerWaalsContact C-CD 3.42Å |
| 105 | S | 98.5 | Very high | 98.6 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 49% | 0.49 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.6 | 177 | -35.7 | 0 | 0 | 0 | 0 | 113.4 | E56 F103 S109 | E56-S105 VanDerWaalsContact OE1-CB 3.22Å; E56-S105 WeakPolarHBondContact OE1-CB 3.25Å; E56-S105 PolarHBondContact OE1-OG 3.34Å; E56-S105 VanDerWaalsContact OE2-CB 3.27Å; E56-S105 WeakPolarHBondContact OE2-CB 3.43Å; E56-S105 PolarHBondContact OE2-N 3.1Å; E56-S105 PolarHBondContact OE2-OG 2.76Å; F103-S105 PolarHBondContact O-N 2.83Å; F103-S105 VanDerWaalsContact O-N 3.17Å; S105-S109 VanDerWaalsContact O-CB 3.24Å; S105-S109 WeakPolarHBondContact O-CB 3.48Å |
| 106 | G | 98.4 | Very high | 98.6 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | 74.8 | 165.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | F103 R108 S109 L110 | F103-G106 PolarHBondContact O-N 2.82Å; G106-R108 PolarHBondContact O-N 2.73Å; G106-S109 PolarHBondContact O-N 3.4Å; G106-L110 PolarHBondContact O-N 2.83Å |
| 107 | I | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -37 | -172.9 | -59 | -49.3 | 0 | 0 | 0 | 113.3 | I81 W85 A98 F103 S109 L110 A111 L121 I123 W152 V154 | I81-I107 HydrophobicContact CD1-CD1 4.06Å; W85-I107 HydrophobicContact CE3-CD1 3.75Å; W85-I107 HydrophobicContact CE3-CG1 3.89Å; W85-I107 HydrophobicContact CH2-CG1 4.44Å; W85-I107 HydrophobicContact CZ3-CD1 4.05Å; W85-I107 HydrophobicContact CZ3-CG1 3.64Å; A98-I107 HydrophobicContact CB-CD1 3.93Å; A98-I107 HydrophobicContact CB-CG1 3.94Å; F103-I107 HydrophobicContact CD1-CD1 4.07Å; F103-I107 HydrophobicContact CE1-CD1 4.43Å; F103-I107 HydrophobicContact CG-CD1 4.49Å; I107-S109 VanDerWaalsContact C-N 3.33Å; I107-S109 PolarHBondContact O-N 2.77Å; I107-L110 WeakPolarHBondContact O-CB 3.07Å; I107-L110 PolarHBondContact O-N 2.75Å; I107-A111 PolarHBondContact O-N 2.88Å; I107-L121 HydrophobicContact CG2-CD2 3.9Å; I107-I123 HydrophobicContact CD1-CD1 4.41Å; I107-I123 HydrophobicContact CG1-CD1 4.08Å; I107-I123 HydrophobicContact CG2-CD1 3.69Å; I107-W152 HydrophobicContact CB-CD2 3.95Å; I107-W152 HydrophobicContact CB-CE3 3.74Å; I107-W152 HydrophobicContact CB-CG 4.34Å; I107-W152 HydrophobicContact CB-CZ3 4.22Å; I107-W152 HydrophobicContact CG1-CE3 4.09Å; I107-W152 HydrophobicContact CG1-CZ3 4.05Å; I107-W152 HydrophobicContact CG2-CB 4.15Å; I107-W152 HydrophobicContact CG2-CD2 4.14Å; I107-W152 HydrophobicContact CG2-CE3 3.67Å; I107-W152 HydrophobicContact CG2-CG 4.39Å; I107-W152 HydrophobicContact CG2-CZ3 4.39Å; I107-V154 HydrophobicContact CG2-CG2 4.25Å |
| 108 | R | 98.7 | Very high | 98.6 | Very high | 136 Ų | 136 | 51.7 Ų | 51.7 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 179 | -179.3 | 176.6 | 169.5 | 166.9 | 0.6 | 111.8 | G106 L110 A111 E112 W152 | G106-R108 PolarHBondContact O-N 2.73Å; R108-L110 VanDerWaalsContact C-N 3.3Å; R108-L110 PolarHBondContact O-N 3.3Å; R108-A111 PolarHBondContact O-N 3.44Å; R108-E112 IonicContact CZ-OE1 2.77Å; R108-E112 IonicContact NE-OE1 3.32Å; R108-E112 PolarHBondContact NE-OE1 3.42Å; R108-E112 VanDerWaalsContact NE-OE1 3.08Å; R108-E112 IonicContact NH2-OE1 3.64Å; R108-E112 WeakPolarHBondContact O-CG 3.39Å; R108-E112 PolarHBondContact O-N 2.91Å; R108-W152 HydrophobicContact CB-CB 4.23Å; R108-W152 HydrophobicContact CB-CG 4.33Å |
| 109 | S | 98.8 | Very high | 98.6 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | S105 G106 I107 A111 E112 Y113 | S105-S109 VanDerWaalsContact O-CB 3.24Å; S105-S109 WeakPolarHBondContact O-CB 3.48Å; G106-S109 PolarHBondContact O-N 3.4Å; I107-S109 VanDerWaalsContact C-N 3.33Å; I107-S109 PolarHBondContact O-N 2.77Å; S109-A111 PolarHBondContact O-N 2.75Å; S109-E112 PolarHBondContact O-N 3.46Å; S109-Y113 PolarHBondContact O-N 3.23Å |
| 110 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 176 | -174.6 | 57.5 | 0 | 0 | 0 | 112.2 | E56 Y59 M60 I81 F103 G106 I107 R108 Y113 M114 L121 | E56-L110 HydrophobicContact CG-CD1 4.32Å; Y59-L110 HydrophobicContact CD2-CD2 4.31Å; Y59-L110 HydrophobicContact CG-CD2 4.39Å; M60-L110 HydrophobicContact CG-CD1 3.86Å; I81-L110 HydrophobicContact CD1-CD2 3.84Å; F103-L110 HydrophobicContact CD1-CD2 4.24Å; F103-L110 HydrophobicContact CE1-CD2 4.19Å; G106-L110 PolarHBondContact O-N 2.83Å; I107-L110 WeakPolarHBondContact O-CB 3.07Å; I107-L110 PolarHBondContact O-N 2.75Å; R108-L110 VanDerWaalsContact C-N 3.3Å; R108-L110 PolarHBondContact O-N 3.3Å; L110-Y113 VanDerWaalsContact O-CB 3.31Å; L110-Y113 WeakPolarHBondContact O-CB 3.44Å; L110-Y113 PolarHBondContact O-N 3.12Å; L110-M114 HydrophobicContact CD1-CE 3.56Å; L110-M114 HydrophobicContact CG-CE 4.1Å; L110-M114 WeakPolarHBondContact O-CG 3.42Å; L110-M114 PolarHBondContact O-N 3.12Å; L110-L121 HydrophobicContact CD2-CD1 4.38Å; L110-L121 HydrophobicContact CG-CD1 4.22Å; L110-L121 HydrophobicContact CG-CD2 4.47Å |
| 111 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I107 R108 S109 Y113 M114 H115 L121 W152 N153 | I107-A111 PolarHBondContact O-N 2.88Å; R108-A111 PolarHBondContact O-N 3.44Å; S109-A111 PolarHBondContact O-N 2.75Å; A111-Y113 VanDerWaalsContact C-N 3.25Å; A111-Y113 PolarHBondContact O-N 3.48Å; A111-M114 WeakPolarHBondContact O-CB 3.48Å; A111-M114 PolarHBondContact O-N 3.33Å; A111-M114 VanDerWaalsContact O-N 3.11Å; A111-H115 PolarHBondContact O-N 2.99Å; A111-H115 PolarHBondContact O-ND1 2.83Å; A111-L121 HydrophobicContact CB-CB 4.23Å; A111-L121 HydrophobicContact CB-CD2 3.67Å; A111-W152 WeakPolarHBondContact CB-O 3.14Å; A111-N153 HydrophobicContact CB-CB 4.43Å |
| 112 | E | 98.9 | Very high | 98.7 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.2 | -33.4 | 176 | -68.4 | 172 | -171.8 | 0 | 0 | 111.8 | R108 S109 R116 | R108-E112 IonicContact CZ-OE1 2.77Å; R108-E112 IonicContact NE-OE1 3.32Å; R108-E112 PolarHBondContact NE-OE1 3.42Å; R108-E112 VanDerWaalsContact NE-OE1 3.08Å; R108-E112 IonicContact NH2-OE1 3.64Å; R108-E112 WeakPolarHBondContact O-CG 3.39Å; R108-E112 PolarHBondContact O-N 2.91Å; S109-E112 PolarHBondContact O-N 3.46Å; E112-R116 WeakPolarHBondContact O-CB 3.39Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.92Å |
| 113 | Y | 98.9 | Very high | 98.8 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 11% | 0.106 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 172.4 | -172.2 | -86.9 | 0 | 0 | 0 | 112.4 | M60 A63 D64 S109 L110 A111 R117 | M60-Y113 HydrophobicContact CB-CD1 4.37Å; M60-Y113 HydrophobicContact CB-CE1 3.74Å; M60-Y113 HydrophobicContact CE-CD2 3.92Å; M60-Y113 HydrophobicContact CE-CE1 4.42Å; M60-Y113 HydrophobicContact CE-CE2 3.32Å; M60-Y113 HydrophobicContact CG-CD1 3.81Å; M60-Y113 HydrophobicContact CG-CD2 4.28Å; M60-Y113 HydrophobicContact CG-CE1 3.65Å; M60-Y113 HydrophobicContact CG-CE2 4.15Å; M60-Y113 HydrophobicContact CG-CG 4.11Å; M60-Y113 HydrophobicContact SD-CD2 4.29Å; M60-Y113 HydrophobicContact SD-CE2 4.2Å; A63-Y113 HydrophobicContact CB-CE1 4.27Å; D64-Y113 VanDerWaalsContact CG-OH 3.3Å; D64-Y113 PolarHBondContact OD1-OH 3.47Å; D64-Y113 VanDerWaalsContact OD1-OH 3.06Å; D64-Y113 PolarHBondContact OD2-OH 3.25Å; S109-Y113 PolarHBondContact O-N 3.23Å; L110-Y113 VanDerWaalsContact O-CB 3.31Å; L110-Y113 WeakPolarHBondContact O-CB 3.44Å; L110-Y113 PolarHBondContact O-N 3.12Å; A111-Y113 VanDerWaalsContact C-N 3.25Å; A111-Y113 PolarHBondContact O-N 3.48Å; Y113-R117 VanDerWaalsContact CE1-NH1 3.33Å; Y113-R117 VanDerWaalsContact CE2-CZ 3.47Å; Y113-R117 PolarHBondContact O-NH1 2.9Å; Y113-R117 VanDerWaalsContact OH-CZ 3.29Å; Y113-R117 PolarHBondContact OH-NH2 3.47Å |
| 114 | M | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -48.2 | 175.4 | -60.1 | -53.1 | 162.3 | 0 | 0 | 111.1 | A63 V79 L110 A111 R116 R117 G118 L119 L121 | A63-M114 HydrophobicContact CB-CE 3.88Å; A63-M114 HydrophobicContact CB-SD 3.39Å; A63-M114 WeakPolarHBondContact CB-SD 3.47Å; V79-M114 HydrophobicContact CB-CE 4.13Å; V79-M114 HydrophobicContact CB-SD 3.88Å; V79-M114 HydrophobicContact CG1-CE 3.82Å; V79-M114 HydrophobicContact CG1-SD 4.23Å; V79-M114 HydrophobicContact CG2-CE 4.48Å; V79-M114 HydrophobicContact CG2-SD 3.84Å; L110-M114 HydrophobicContact CD1-CE 3.56Å; L110-M114 HydrophobicContact CG-CE 4.1Å; L110-M114 WeakPolarHBondContact O-CG 3.42Å; L110-M114 PolarHBondContact O-N 3.12Å; A111-M114 WeakPolarHBondContact O-CB 3.48Å; A111-M114 PolarHBondContact O-N 3.33Å; A111-M114 VanDerWaalsContact O-N 3.11Å; M114-R116 VanDerWaalsContact C-N 3.35Å; M114-R116 PolarHBondContact O-N 3.39Å; M114-R117 WeakPolarHBondContact O-CA 3.04Å; M114-R117 WeakPolarHBondContact O-CB 3.34Å; M114-R117 PolarHBondContact O-N 3.28Å; M114-G118 PolarHBondContact O-N 3.06Å; M114-L119 CarbonylContact C-O 3.43Å; M114-L119 HydrophobicContact CB-CB 4.09Å; M114-L119 WeakPolarHBondContact O-CB 3.05Å; M114-L119 PolarHBondContact O-N 3.25Å; M114-L119 HydrophobicContact SD-CD1 4.43Å; M114-L121 HydrophobicContact CB-CB 4.38Å; M114-L121 HydrophobicContact CE-CD1 4.23Å; M114-L121 HydrophobicContact CG-CB 4Å; M114-L121 HydrophobicContact CG-CD1 3.89Å |
| 115 | H | 98.9 | Very high | 98.8 | Very high | 65 Ų | 65 | 38.5 Ų | 38.5 | 30% | 0.301 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.6 | -38.5 | -176.6 | -60.2 | 152.3 | 0 | 0 | 0 | 112.6 | A111 R117 G118 L119 N153 D155 | A111-H115 PolarHBondContact O-N 2.99Å; A111-H115 PolarHBondContact O-ND1 2.83Å; H115-R117 PolarHBondContact O-N 3.45Å; H115-R117 VanDerWaalsContact O-N 3.08Å; H115-G118 PolarHBondContact O-N 3.24Å; H115-L119 PolarHBondContact CD2-O 3.23Å; H115-N153 PolarHBondContact CE1-O 3.23Å; H115-D155 IonicContact CD2-OD2 3.68Å; H115-D155 IonicContact CE1-OD2 2.65Å; H115-D155 IonicContact NE2-OD1 2.9Å; H115-D155 IonicContact NE2-OD2 3.08Å; H115-D155 PolarHBondContact NE2-OD2 3.5Å |
| 116 | R | 98.8 | Very high | 98.8 | Very high | 162 Ų | 162 | 35.1 Ų | 35.1 | 61% | 0.611 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.9 | 174.6 | -77.4 | -170.5 | -61.9 | -91 | 1.8 | 113.6 | E112 M114 | E112-R116 WeakPolarHBondContact O-CB 3.39Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.92Å; M114-R116 VanDerWaalsContact C-N 3.35Å; M114-R116 PolarHBondContact O-N 3.39Å |
| 117 | R | 98.6 | Very high | 98.9 | Very high | 73 Ų | 73 | 34.4 Ų | 34.4 | 28% | 0.275 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 3 | 178.4 | -77.9 | 168.7 | 175.1 | 72.1 | 4.2 | 113.9 | D64 V67 L72 Y113 M114 H115 L119 | D64-R117 IonicContact OD1-CZ 2.64Å; D64-R117 IonicContact OD1-NE 3.81Å; D64-R117 PolarHBondContact OD1-NE 2.97Å; D64-R117 IonicContact OD1-NH2 3.62Å; D64-R117 PolarHBondContact OD1-NH2 3.39Å; V67-R117 HydrophobicContact CG2-CB 3.86Å; V67-R117 HydrophobicContact CG2-CG 4.26Å; L72-R117 WeakPolarHBondContact CD2-O 3.19Å; Y113-R117 VanDerWaalsContact CE1-NH1 3.33Å; Y113-R117 VanDerWaalsContact CE2-CZ 3.47Å; Y113-R117 PolarHBondContact O-NH1 2.9Å; Y113-R117 VanDerWaalsContact OH-CZ 3.29Å; Y113-R117 PolarHBondContact OH-NH2 3.47Å; M114-R117 WeakPolarHBondContact O-CA 3.04Å; M114-R117 WeakPolarHBondContact O-CB 3.34Å; M114-R117 PolarHBondContact O-N 3.28Å; H115-R117 PolarHBondContact O-N 3.45Å; H115-R117 VanDerWaalsContact O-N 3.08Å; R117-L119 HydrophobicContact CB-CD1 4.26Å; R117-L119 HydrophobicContact CB-CG 4.38Å; R117-L119 PolarHBondContact O-N 3.45Å |
| 118 | G | 98.7 | Very high | 98.8 | Very high | 52 Ų | 52 | 34.3 Ų | 34.3 | 54% | 0.536 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 10.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M114 H115 | M114-G118 PolarHBondContact O-N 3.06Å; H115-G118 PolarHBondContact O-N 3.24Å |
| 119 | L | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | trans | -91.6 | 169.8 | 172.9 | -65.1 | 168.1 | 0 | 0 | 0 | 110.6 | A63 M66 V67 L72 N77 V79 M114 H115 R117 | A63-L119 HydrophobicContact CB-CD1 3.61Å; A63-L119 WeakPolarHBondContact O-CD1 3.47Å; M66-L119 HydrophobicContact CB-CD1 4.39Å; M66-L119 HydrophobicContact CB-CD2 4.36Å; M66-L119 HydrophobicContact CE-CD2 3.95Å; V67-L119 HydrophobicContact CG2-CD1 3.95Å; V67-L119 HydrophobicContact CG2-CG 4.32Å; L72-L119 HydrophobicContact CB-CD2 4.27Å; L72-L119 HydrophobicContact CD1-CD2 3.94Å; L72-L119 HydrophobicContact CD2-CD2 4.3Å; L72-L119 HydrophobicContact CD2-CG 4.41Å; L72-L119 HydrophobicContact CG-CD2 4.39Å; N77-L119 CarbonylContact O-C 3.45Å; N77-L119 WeakPolarHBondContact O-CA 3.46Å; V79-L119 HydrophobicContact CG2-CD1 4.05Å; M114-L119 CarbonylContact C-O 3.43Å; M114-L119 HydrophobicContact CB-CB 4.09Å; M114-L119 WeakPolarHBondContact O-CB 3.05Å; M114-L119 PolarHBondContact O-N 3.25Å; M114-L119 HydrophobicContact SD-CD1 4.43Å; H115-L119 PolarHBondContact CD2-O 3.23Å; R117-L119 HydrophobicContact CB-CD1 4.26Å; R117-L119 HydrophobicContact CB-CG 4.38Å; R117-L119 PolarHBondContact O-N 3.45Å | ||
| 120 | K | 98.9 | Very high | 98.8 | Very high | 83 Ų | 83 | 38 Ų | 38 | 36% | 0.361 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.7 | 177.6 | -68.5 | -179.6 | 177.8 | -64.3 | 0 | 109.3 | N77 F78 V79 D155 | N77-K120 WeakPolarHBondContact O-CB 3.37Å; N77-K120 PolarHBondContact O-N 3.41Å; F78-K120 CarbonylContact C-O 3.57Å; F78-K120 WeakPolarHBondContact CA-O 2.85Å; F78-K120 HydrophobicContact CD1-CB 3.54Å; F78-K120 HydrophobicContact CD1-CD 4.24Å; F78-K120 HydrophobicContact CE1-CB 3.64Å; F78-K120 HydrophobicContact CE1-CD 3.61Å; F78-K120 HydrophobicContact CE1-CG 4.27Å; F78-K120 HydrophobicContact CE2-CD 4.02Å; F78-K120 HydrophobicContact CG-CB 4.17Å; F78-K120 HydrophobicContact CZ-CB 4.34Å; F78-K120 HydrophobicContact CZ-CD 3.48Å; F78-K120 VanDerWaalsContact CZ-CD 3.48Å; V79-K120 PolarHBondContact N-O 3.39Å; K120-D155 VanDerWaalsContact CA-OD2 3.25Å; K120-D155 WeakPolarHBondContact CA-OD2 3.23Å; K120-D155 HydrophobicContact CB-CB 3.74Å; K120-D155 WeakPolarHBondContact CB-OD2 3.3Å; K120-D155 HydrophobicContact CD-CB 4.34Å; K120-D155 HydrophobicContact CG-CB 4.19Å |
| 121 | L | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122 | 177.7 | -173.9 | 72.9 | 0 | 0 | 0 | 110.7 | V79 I81 I107 L110 A111 M114 D155 M156 | V79-L121 WeakPolarHBondContact O-CA 3.47Å; I81-L121 HydrophobicContact CD1-CD1 4.03Å; I81-L121 HydrophobicContact CD1-CD2 4.39Å; I81-L121 HydrophobicContact CG1-CD1 4.22Å; I107-L121 HydrophobicContact CG2-CD2 3.9Å; L110-L121 HydrophobicContact CD2-CD1 4.38Å; L110-L121 HydrophobicContact CG-CD1 4.22Å; L110-L121 HydrophobicContact CG-CD2 4.47Å; A111-L121 HydrophobicContact CB-CB 4.23Å; A111-L121 HydrophobicContact CB-CD2 3.67Å; M114-L121 HydrophobicContact CB-CB 4.38Å; M114-L121 HydrophobicContact CE-CD1 4.23Å; M114-L121 HydrophobicContact CG-CB 4Å; M114-L121 HydrophobicContact CG-CD1 3.89Å; L121-D155 PolarHBondContact N-OD2 3.04Å; L121-D155 PolarHBondContact O-N 2.9Å; L121-M156 PolarHBondContact O-N 2.88Å |
| 122 | G | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 153.5 | 164 | 0 | 0 | 0 | 0 | 0 | 112.5 | V79 N80 I81 M156 | V79-G122 PolarHBondContact O-N 3.33Å; N80-G122 WeakPolarHBondContact OD1-CA 3.49Å; N80-G122 PolarHBondContact OD1-N 3.27Å; I81-G122 PolarHBondContact N-O 2.73Å; G122-M156 CarbonylContact C-O 3.6Å; G122-M156 VanDerWaalsContact CA-O 3.23Å; G122-M156 WeakPolarHBondContact CA-O 3.01Å |
| 123 | I | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 166 | 174.8 | -153.4 | 153.1 | 0 | 0 | 0 | 111.7 | I81 W85 I107 F149 W152 V154 M156 L157 K158 | I81-I123 HydrophobicContact CB-CG1 4.46Å; I81-I123 CarbonylContact O-C 3.55Å; W85-I123 HydrophobicContact CD2-CD1 4.23Å; W85-I123 HydrophobicContact CD2-CG1 4.41Å; W85-I123 HydrophobicContact CE3-CD1 4.48Å; W85-I123 HydrophobicContact CH2-CD1 4.09Å; W85-I123 HydrophobicContact CZ2-CD1 3.77Å; W85-I123 HydrophobicContact CZ2-CG1 4.1Å; W85-I123 HydrophobicContact CZ3-CD1 4.4Å; I107-I123 HydrophobicContact CD1-CD1 4.41Å; I107-I123 HydrophobicContact CG1-CD1 4.08Å; I107-I123 HydrophobicContact CG2-CD1 3.69Å; I123-F149 HydrophobicContact CD1-CD1 4.48Å; I123-F149 HydrophobicContact CG2-CD1 3.78Å; I123-F149 HydrophobicContact CG2-CE1 3.98Å; I123-F149 HydrophobicContact CG2-CG 4.08Å; I123-F149 HydrophobicContact CG2-CZ 4.45Å; I123-W152 HydrophobicContact CD1-CE3 4.28Å; I123-W152 HydrophobicContact CD1-CZ3 4.18Å; I123-V154 HydrophobicContact CB-CG1 4.05Å; I123-V154 HydrophobicContact CB-CG2 4.22Å; I123-V154 HydrophobicContact CD1-CG2 4.35Å; I123-V154 HydrophobicContact CG2-CB 4.47Å; I123-V154 HydrophobicContact CG2-CG1 3.65Å; I123-V154 HydrophobicContact CG2-CG2 4.13Å; I123-M156 PolarHBondContact N-O 3Å; I123-L157 HydrophobicContact CG2-CD1 3.82Å; I123-L157 WeakPolarHBondContact O-CA 3.19Å; I123-K158 PolarHBondContact O-N 2.93Å |
| 124 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.6 | 179.8 | 173.4 | -83.8 | 0 | 0 | 0 | 111.9 | I81 D82 D83 W85 T131 K158 D160 | I81-Y124 WeakPolarHBondContact O-CB 3.48Å; I81-Y124 PolarHBondContact O-N 2.78Å; D82-Y124 WeakPolarHBondContact O-CB 3.26Å; D83-Y124 HydrophobicContact CB-CD1 3.97Å; D83-Y124 HydrophobicContact CB-CE1 3.6Å; D83-Y124 HydrophobicContact CB-CE2 4.25Å; D83-Y124 HydrophobicContact CB-CG 4.46Å; D83-Y124 VanDerWaalsContact CG-CE1 3.44Å; D83-Y124 WeakPolarHBondContact OD1-CE1 3.36Å; W85-Y124 PolarHBondContact NE1-O 2.9Å; Y124-T131 HydrophobicContact CE1-CG2 3.7Å; Y124-K158 WeakPolarHBondContact CA-O 3.28Å; Y124-K158 HydrophobicContact CD2-CB 4.44Å; Y124-K158 HydrophobicContact CD2-CD 3.9Å; Y124-K158 HydrophobicContact CD2-CG 4.08Å; Y124-K158 HydrophobicContact CE2-CD 4.33Å; Y124-D160 HydrophobicContact CE2-CB 3.57Å; Y124-D160 WeakPolarHBondContact CE2-OD2 3.33Å; Y124-D160 WeakPolarHBondContact OH-CB 3.46Å; Y124-D160 PolarHBondContact OH-OD2 2.79Å |
| 125 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 174.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S138 F149 L157 K158 L159 D160 | A125-S138 WeakPolarHBondContact CB-OG 3.39Å; A125-F149 HydrophobicContact CB-CE2 4.15Å; A125-F149 HydrophobicContact CB-CZ 3.84Å; A125-L157 HydrophobicContact CB-CD1 3.94Å; A125-K158 PolarHBondContact N-O 2.87Å; A125-L159 HydrophobicContact CB-CD1 3.93Å; A125-L159 WeakPolarHBondContact O-CA 3.24Å; A125-D160 PolarHBondContact O-N 3.3Å |
| 126 | D | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139 | 174.7 | -167.5 | -56.7 | 0 | 0 | 0 | 109.8 | G128 T131 S138 D160 C162 | D126-G128 VanDerWaalsContact C-N 3.31Å; D126-G128 WeakPolarHBondContact OD1-CA 3.38Å; D126-G128 PolarHBondContact OD1-N 2.65Å; D126-T131 HydrophobicContact CB-CG2 3.99Å; D126-S138 WeakPolarHBondContact O-CA 3.44Å; D126-S138 WeakPolarHBondContact O-CB 3.2Å; D126-S138 PolarHBondContact O-N 3.27Å; D126-S138 PolarHBondContact O-OG 3.29Å; D126-D160 HydrophobicContact CB-CB 4.18Å; D126-C162 PolarHBondContact OD1-N 2.91Å; D126-C162 VanDerWaalsContact OD1-O 3.08Å; D126-C162 WeakPolarHBondContact OD2-CA 3.37Å; D126-C162 VanDerWaalsContact OD2-CB 3.25Å; D126-C162 WeakPolarHBondContact OD2-CB 3.49Å; D126-C162 PolarHBondContact OD2-N 3.49Å |
| 127 | F | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -65.7 | -31.8 | 176.2 | 172.1 | -129.6 | 0 | 0 | 0 | 112.7 | M139 L142 L159 D160 V164 L168 M169 G172 Y173 | F127-M139 HydrophobicContact CE2-CG 4.33Å; F127-M139 HydrophobicContact CZ-CE 4.45Å; F127-M139 WeakPolarHBondContact O-CA 3.48Å; F127-M139 WeakPolarHBondContact O-CB 3.46Å; F127-M139 PolarHBondContact O-N 2.93Å; F127-L142 HydrophobicContact CD2-CD1 4.24Å; F127-L142 HydrophobicContact CD2-CD2 3.92Å; F127-L142 HydrophobicContact CE2-CD1 4.05Å; F127-L142 HydrophobicContact CE2-CD2 4.45Å; F127-L159 HydrophobicContact CB-CD2 3.94Å; F127-L159 HydrophobicContact CB-CG 4.13Å; F127-D160 WeakPolarHBondContact CB-O 3.47Å; F127-D160 PolarHBondContact N-O 3.41Å; F127-V164 HydrophobicContact CD1-CB 4.47Å; F127-V164 HydrophobicContact CD1-CG1 4.07Å; F127-V164 HydrophobicContact CD1-CG2 3.94Å; F127-V164 HydrophobicContact CE1-CG1 4.47Å; F127-V164 HydrophobicContact CE1-CG2 3.67Å; F127-V164 HydrophobicContact CZ-CG2 4.33Å; F127-L168 HydrophobicContact CE1-CB 4.04Å; F127-L168 HydrophobicContact CZ-CB 4.16Å; F127-M169 HydrophobicContact CD1-CG 4.11Å; F127-M169 HydrophobicContact CE1-CG 4.23Å; F127-G172 VanDerWaalsContact CE2-CA 3.47Å; F127-Y173 HydrophobicContact CB-CE2 4.33Å; F127-Y173 HydrophobicContact CD1-CD2 4.37Å; F127-Y173 HydrophobicContact CD1-CE2 4.19Å |
| 128 | G | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -75.8 | -166.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D126 K130 G137 S138 M139 C162 | D126-G128 VanDerWaalsContact C-N 3.31Å; D126-G128 WeakPolarHBondContact OD1-CA 3.38Å; D126-G128 PolarHBondContact OD1-N 2.65Å; G128-K130 VanDerWaalsContact C-N 3.29Å; G128-G137 CarbonylContact O-C 3.51Å; G128-G137 VanDerWaalsContact O-C 3.26Å; G128-G137 WeakPolarHBondContact O-CA 3.42Å; G128-S138 PolarHBondContact O-N 2.7Å; G128-M139 PolarHBondContact O-N 3.18Å; G128-C162 VanDerWaalsContact CA-O 3.32Å; G128-C162 WeakPolarHBondContact CA-O 3.48Å |
| 129 | K | 98.2 | Very high | 98.6 | Very high | 144 Ų | 144 | 26.5 Ų | 26.5 | 63% | 0.626 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -74.4 | -23.7 | -178.5 | -67.3 | -166.5 | 174 | -170.8 | 0 | 112.9 | G137 M139 A163 | K129-G137 PolarHBondContact O-N 2.04Å; K129-M139 HydrophobicContact CG-SD 3.96Å; K129-A163 PolarHBondContact N-O 3.17Å |
| 130 | K | 98.6 | Very high | 98.6 | Very high | 113 Ų | 113 | 32.2 Ų | 32.2 | 49% | 0.491 | 17% | 0.171 | S | C | . | . | B | Isolated β-bridge | trans | -143.9 | 152.4 | 177.6 | -66.3 | -169.4 | 172.7 | -163.5 | 0 | 109.8 | G128 F135 A163 | G128-K130 VanDerWaalsContact C-N 3.29Å; K130-F135 CarbonylContact C-O 3.41Å; K130-F135 WeakPolarHBondContact CA-O 3.41Å; K130-F135 WeakPolarHBondContact CB-O 3.39Å; K130-A163 HydrophobicContact CB-CB 4.09Å |
| 131 | T | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | trans | -64.8 | 167.9 | 165.8 | 76.5 | 0 | 0 | 0 | 0 | 110.9 | D83 M86 Y124 D126 A133 G134 F135 | D83-T131 VanDerWaalsContact CG-OG1 3.27Å; D83-T131 WeakPolarHBondContact OD1-CB 3.4Å; D83-T131 WeakPolarHBondContact OD1-CG2 3.44Å; D83-T131 PolarHBondContact OD1-OG1 3.06Å; D83-T131 VanDerWaalsContact OD2-CB 3.24Å; D83-T131 WeakPolarHBondContact OD2-CB 3.2Å; D83-T131 PolarHBondContact OD2-OG1 3.13Å; M86-T131 HydrophobicContact CE-CG2 4.03Å; M86-T131 HydrophobicContact SD-CG2 4.49Å; Y124-T131 HydrophobicContact CE1-CG2 3.7Å; D126-T131 HydrophobicContact CB-CG2 3.99Å; T131-A133 PolarHBondContact O-N 3.3Å; T131-A133 PolarHBondContact OG1-N 2.8Å; T131-G134 PolarHBondContact O-N 3.02Å; T131-G134 PolarHBondContact OG1-N 3.42Å; T131-F135 HydrophobicContact CG2-CB 3.84Å; T131-F135 PolarHBondContact N-O 2.96Å; T131-F135 WeakPolarHBondContact OG1-CB 3.45Å; T131-F135 PolarHBondContact OG1-N 3.16Å | ||
| 132 | C | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 33 Ų | 33 | 39% | 0.385 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.5 | 176.8 | -60 | 0 | 0 | 0 | 0 | 112.6 | D83 G134 D160 C162 Y196 | D83-C132 PolarHBondContact OD2-N 2.84Å; C132-G134 VanDerWaalsContact C-N 3.3Å; C132-G134 PolarHBondContact O-N 3.29Å; C132-D160 PolarHBondContact SG-OD2 3.04Å; C132-D160 VanDerWaalsContact SG-OD2 3.35Å; C132-C162 WeakPolarHBondContact CA-SG 3.1Å; C132-C162 HydrophobicContact CB-CB 3.93Å; C132-C162 WeakPolarHBondContact CB-SG 3.46Å; C132-C162 WeakPolarHBondContact SG-CB 3.43Å; C132-C162 CovalentContact SG-SG 2.04Å; C132-C162 PolarHBondContact SG-SG 3.35Å; C132-Y196 PolarHBondContact SG-OH 2.81Å; C132-Y196 VanDerWaalsContact SG-OH 3.33Å |
| 133 | A | 98.3 | Very high | 98.5 | Very high | 40 Ų | 40 | 39 Ų | 39 | 33% | 0.331 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D83 C84 T131 F135 | D83-A133 WeakPolarHBondContact OD2-CB 2.98Å; D83-A133 PolarHBondContact OD2-N 2.95Å; C84-A133 WeakPolarHBondContact SG-CB 3.5Å; T131-A133 PolarHBondContact O-N 3.3Å; T131-A133 PolarHBondContact OG1-N 2.8Å; A133-F135 HydrophobicContact CB-CD2 3.9Å; A133-F135 HydrophobicContact CB-CE2 3.94Å |
| 134 | G | 98.3 | Very high | 98.5 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 92.2 | 10.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116 | T131 C132 | T131-G134 PolarHBondContact O-N 3.02Å; T131-G134 PolarHBondContact OG1-N 3.42Å; C132-G134 VanDerWaalsContact C-N 3.3Å; C132-G134 PolarHBondContact O-N 3.29Å |
| 135 | F | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 4% | 0.044 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -75.2 | 167.6 | 173.3 | -67.7 | -94.3 | 0 | 0 | 0 | 111.4 | L44 C84 M86 M88 K130 T131 A133 G137 | L44-F135 HydrophobicContact CD1-CZ 3.96Å; C84-F135 HydrophobicContact CB-CD2 4.26Å; C84-F135 HydrophobicContact CB-CE2 3.53Å; C84-F135 HydrophobicContact CB-CZ 3.82Å; C84-F135 VanDerWaalsContact SG-CE2 3.57Å; M86-F135 HydrophobicContact CE-CB 4.48Å; M86-F135 HydrophobicContact CG-CB 3.75Å; M86-F135 HydrophobicContact CG-CD1 3.79Å; M86-F135 HydrophobicContact CG-CG 4.07Å; M86-F135 WeakPolarHBondContact O-CD1 3.46Å; M86-F135 WeakPolarHBondContact O-CE1 3.23Å; M86-F135 HydrophobicContact SD-CB 3.92Å; M88-F135 HydrophobicContact CG-CD1 4.41Å; M88-F135 HydrophobicContact CG-CE1 4.24Å; M88-F135 HydrophobicContact SD-CD1 3.53Å; M88-F135 VanDerWaalsContact SD-CD1 3.53Å; M88-F135 HydrophobicContact SD-CD2 4.46Å; M88-F135 HydrophobicContact SD-CE1 3.58Å; M88-F135 VanDerWaalsContact SD-CE1 3.58Å; M88-F135 HydrophobicContact SD-CE2 4.48Å; M88-F135 HydrophobicContact SD-CG 4Å; M88-F135 HydrophobicContact SD-CZ 4.08Å; K130-F135 CarbonylContact C-O 3.41Å; K130-F135 WeakPolarHBondContact CA-O 3.41Å; K130-F135 WeakPolarHBondContact CB-O 3.39Å; T131-F135 HydrophobicContact CG2-CB 3.84Å; T131-F135 PolarHBondContact N-O 2.96Å; T131-F135 WeakPolarHBondContact OG1-CB 3.45Å; T131-F135 PolarHBondContact OG1-N 3.16Å; A133-F135 HydrophobicContact CB-CD2 3.9Å; A133-F135 HydrophobicContact CB-CE2 3.94Å; F135-G137 PolarHBondContact O-N 3.25Å |
| 136 | P | 98.7 | Very high | 98.5 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -56.2 | 126 | 179.4 | -26.9 | 36.1 | 0 | 0 | 0 | 113.3 | K87 M88 R90 L96 | K87-P136 VanDerWaalsContact O-CD 3.23Å; K87-P136 WeakPolarHBondContact O-CD 3.12Å; M88-P136 WeakPolarHBondContact O-CG 3.49Å; R90-P136 HydrophobicContact CG-CB 4.1Å; R90-P136 HydrophobicContact CG-CG 4.48Å; L96-P136 HydrophobicContact CD2-CB 4.05Å |
| 137 | G | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | trans | -91.2 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R90 G128 K129 F135 | R90-G137 PolarHBondContact NH2-O 3.07Å; G128-G137 CarbonylContact O-C 3.51Å; G128-G137 VanDerWaalsContact O-C 3.26Å; G128-G137 WeakPolarHBondContact O-CA 3.42Å; K129-G137 PolarHBondContact O-N 2.04Å; F135-G137 PolarHBondContact O-N 3.25Å | ||
| 138 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -106.4 | -0 | -166 | -37.8 | 0 | 0 | 0 | 0 | 114.4 | A125 D126 G128 D140 Y141 L142 D145 | A125-S138 WeakPolarHBondContact CB-OG 3.39Å; D126-S138 WeakPolarHBondContact O-CA 3.44Å; D126-S138 WeakPolarHBondContact O-CB 3.2Å; D126-S138 PolarHBondContact O-N 3.27Å; D126-S138 PolarHBondContact O-OG 3.29Å; G128-S138 PolarHBondContact O-N 2.7Å; S138-D140 VanDerWaalsContact C-N 3.28Å; S138-D140 PolarHBondContact O-N 2.78Å; S138-D140 VanDerWaalsContact O-N 3.1Å; S138-Y141 CarbonylContact O-C 3.56Å; S138-Y141 WeakPolarHBondContact O-CA 3.49Å; S138-Y141 PolarHBondContact O-N 2.93Å; S138-L142 WeakPolarHBondContact O-CD2 3.34Å; S138-L142 WeakPolarHBondContact O-CG 3.11Å; S138-L142 PolarHBondContact O-N 2.99Å; S138-D145 VanDerWaalsContact CB-OD2 3.26Å; S138-D145 WeakPolarHBondContact CB-OD2 3.38Å; S138-D145 PolarHBondContact OG-OD2 2.96Å | ||
| 139 | M | 97.4 | Very high | 98.5 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -46.2 | -170 | -163.2 | 172.1 | -164.3 | 0 | 0 | 114.6 | F127 G128 K129 V164 L168 | F127-M139 HydrophobicContact CE2-CG 4.33Å; F127-M139 HydrophobicContact CZ-CE 4.45Å; F127-M139 WeakPolarHBondContact O-CA 3.48Å; F127-M139 WeakPolarHBondContact O-CB 3.46Å; F127-M139 PolarHBondContact O-N 2.93Å; G128-M139 PolarHBondContact O-N 3.18Å; K129-M139 HydrophobicContact CG-SD 3.96Å; M139-V164 HydrophobicContact CE-CG2 3.47Å; M139-V164 VanDerWaalsContact CE-CG2 3.47Å; M139-V164 HydrophobicContact SD-CG2 4.02Å; M139-L168 HydrophobicContact CE-CD1 3.27Å |
| 140 | D | 97 | Very high | 98.5 | Very high | 123 Ų | 123 | 36.7 Ų | 36.7 | 66% | 0.658 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 3.4 | -177.8 | -56.1 | -51.8 | 0 | 0 | 0 | 112.6 | S138 | S138-D140 VanDerWaalsContact C-N 3.28Å; S138-D140 PolarHBondContact O-N 2.78Å; S138-D140 VanDerWaalsContact O-N 3.1Å |
| 141 | Y | 98.6 | Very high | 98.5 | Very high | 90 Ų | 90 | 34.3 Ų | 34.3 | 35% | 0.353 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 7.3 | -169 | -61.7 | -83.2 | 0 | 0 | 0 | 113.8 | S138 K143 L144 D145 | S138-Y141 CarbonylContact O-C 3.56Å; S138-Y141 WeakPolarHBondContact O-CA 3.49Å; S138-Y141 PolarHBondContact O-N 2.93Å; Y141-K143 VanDerWaalsContact C-N 3.3Å; Y141-K143 PolarHBondContact O-N 3.45Å; Y141-K143 VanDerWaalsContact O-N 3.07Å; Y141-L144 HydrophobicContact CD1-CD2 3.91Å; Y141-L144 CarbonylContact O-C 3.52Å; Y141-L144 WeakPolarHBondContact O-CA 3.33Å; Y141-L144 WeakPolarHBondContact O-CB 3.48Å; Y141-L144 PolarHBondContact O-N 3.29Å; Y141-D145 WeakPolarHBondContact CB-OD2 3.34Å; Y141-D145 PolarHBondContact O-N 3.42Å |
| 142 | L | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -47.8 | -47.4 | -171.2 | -57.6 | 179.3 | 0 | 0 | 0 | 113.9 | F127 S138 A146 E175 M176 Y179 | F127-L142 HydrophobicContact CD2-CD1 4.24Å; F127-L142 HydrophobicContact CD2-CD2 3.92Å; F127-L142 HydrophobicContact CE2-CD1 4.05Å; F127-L142 HydrophobicContact CE2-CD2 4.45Å; S138-L142 WeakPolarHBondContact O-CD2 3.34Å; S138-L142 WeakPolarHBondContact O-CG 3.11Å; S138-L142 PolarHBondContact O-N 2.99Å; L142-A146 VanDerWaalsContact O-CB 3.28Å; L142-A146 WeakPolarHBondContact O-CB 3.49Å; L142-A146 PolarHBondContact O-N 3.36Å; L142-E175 HydrophobicContact CD1-CB 4.16Å; L142-M176 HydrophobicContact CB-CE 3.98Å; L142-M176 HydrophobicContact CD2-CB 4.49Å; L142-M176 HydrophobicContact CD2-CE 3.62Å; L142-M176 HydrophobicContact CG-CE 4.4Å; L142-Y179 HydrophobicContact CB-CD2 3.75Å; L142-Y179 HydrophobicContact CB-CE2 3.92Å |
| 143 | K | 98.6 | Very high | 98.6 | Very high | 128 Ų | 128 | 35.8 Ų | 35.8 | 56% | 0.557 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -66.8 | -40.3 | 178.7 | -171.5 | 177.2 | -176.7 | 179.8 | 0 | 112.6 | Y141 A147 Y179 | Y141-K143 VanDerWaalsContact C-N 3.3Å; Y141-K143 PolarHBondContact O-N 3.45Å; Y141-K143 VanDerWaalsContact O-N 3.07Å; K143-A147 PolarHBondContact O-N 2.8Å; K143-Y179 HydrophobicContact CB-CD1 3.86Å; K143-Y179 HydrophobicContact CB-CD2 3.87Å; K143-Y179 HydrophobicContact CB-CE1 3.94Å; K143-Y179 HydrophobicContact CB-CE2 3.95Å; K143-Y179 HydrophobicContact CB-CG 3.85Å; K143-Y179 HydrophobicContact CD-CD1 4.09Å; K143-Y179 HydrophobicContact CD-CE1 3.9Å; K143-Y179 HydrophobicContact CG-CD1 3.72Å; K143-Y179 HydrophobicContact CG-CE1 3.96Å; K143-Y179 HydrophobicContact CG-CG 4.08Å |
| 144 | L | 98.8 | Very high | 98.6 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.6 | -43.3 | 178.3 | 179.1 | 63.2 | 0 | 0 | 0 | 111 | G94 R95 Y141 A147 T148 | G94-L144 WeakPolarHBondContact O-CD2 3.37Å; R95-L144 HydrophobicContact CG-CD1 3.97Å; R95-L144 HydrophobicContact CG-CD2 4.12Å; R95-L144 HydrophobicContact CG-CG 4.13Å; Y141-L144 HydrophobicContact CD1-CD2 3.91Å; Y141-L144 CarbonylContact O-C 3.52Å; Y141-L144 WeakPolarHBondContact O-CA 3.33Å; Y141-L144 WeakPolarHBondContact O-CB 3.48Å; Y141-L144 PolarHBondContact O-N 3.29Å; L144-A147 PolarHBondContact O-N 2.86Å; L144-T148 WeakPolarHBondContact O-CB 3.46Å; L144-T148 PolarHBondContact O-N 2.94Å; L144-T148 PolarHBondContact O-OG1 3.07Å |
| 145 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.6 | -43 | -178.4 | -68.9 | -15.7 | 0 | 0 | 0 | 110.6 | R90 S138 Y141 A147 T148 F149 | R90-D145 IonicContact CZ-OD1 3.25Å; R90-D145 IonicContact CZ-OD2 3.81Å; R90-D145 IonicContact NH1-OD1 2.68Å; R90-D145 PolarHBondContact NH1-OD1 3.07Å; R90-D145 IonicContact NH1-OD2 2.95Å; R90-D145 PolarHBondContact NH1-OD2 2.88Å; R90-D145 IonicContact NH2-OD1 3.74Å; R90-D145 IonicContact NH2-OD2 3.93Å; R90-D145 PolarHBondContact NH2-OD2 3.23Å; S138-D145 VanDerWaalsContact CB-OD2 3.26Å; S138-D145 WeakPolarHBondContact CB-OD2 3.38Å; S138-D145 PolarHBondContact OG-OD2 2.96Å; Y141-D145 WeakPolarHBondContact CB-OD2 3.34Å; Y141-D145 PolarHBondContact O-N 3.42Å; D145-A147 VanDerWaalsContact C-N 3.33Å; D145-A147 PolarHBondContact O-N 2.89Å; D145-T148 WeakPolarHBondContact O-CA 3.46Å; D145-T148 WeakPolarHBondContact O-CB 3.15Å; D145-T148 PolarHBondContact O-N 2.81Å; D145-F149 HydrophobicContact CB-CE2 3.89Å; D145-F149 HydrophobicContact CB-CZ 4.04Å; D145-F149 WeakPolarHBondContact O-CD2 3.34Å; D145-F149 WeakPolarHBondContact O-CG 3.09Å; D145-F149 PolarHBondContact O-N 3.05Å |
| 146 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54 | -48.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L142 T148 F149 A150 M176 L180 T183 | L142-A146 VanDerWaalsContact O-CB 3.28Å; L142-A146 WeakPolarHBondContact O-CB 3.49Å; L142-A146 PolarHBondContact O-N 3.36Å; A146-T148 VanDerWaalsContact C-N 3.31Å; A146-T148 PolarHBondContact O-N 2.83Å; A146-F149 PolarHBondContact O-N 2.68Å; A146-A150 WeakPolarHBondContact O-CB 3.5Å; A146-A150 PolarHBondContact O-N 2.81Å; A146-M176 HydrophobicContact CB-SD 3.92Å; A146-L180 HydrophobicContact CB-CD2 3.99Å; A146-L180 HydrophobicContact CB-CG 4.39Å; A146-T183 HydrophobicContact CB-CG2 4.37Å |
| 147 | A | 98.8 | Very high | 98.6 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 38% | 0.38 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.5 | -35.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K143 L144 D145 S151 | K143-A147 PolarHBondContact O-N 2.8Å; L144-A147 PolarHBondContact O-N 2.86Å; D145-A147 VanDerWaalsContact C-N 3.33Å; D145-A147 PolarHBondContact O-N 2.89Å; A147-S151 WeakPolarHBondContact O-CB 3.19Å; A147-S151 PolarHBondContact O-N 3.01Å |
| 148 | T | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -49.1 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | L144 D145 A146 A150 S151 W152 | L144-T148 WeakPolarHBondContact O-CB 3.46Å; L144-T148 PolarHBondContact O-N 2.94Å; L144-T148 PolarHBondContact O-OG1 3.07Å; D145-T148 WeakPolarHBondContact O-CA 3.46Å; D145-T148 WeakPolarHBondContact O-CB 3.15Å; D145-T148 PolarHBondContact O-N 2.81Å; A146-T148 VanDerWaalsContact C-N 3.31Å; A146-T148 PolarHBondContact O-N 2.83Å; T148-A150 PolarHBondContact O-N 3.06Å; T148-S151 PolarHBondContact O-N 2.99Å; T148-S151 VanDerWaalsContact O-N 3.13Å; T148-S151 PolarHBondContact O-OG 3.27Å; T148-W152 HydrophobicContact CG2-CD2 4.05Å; T148-W152 HydrophobicContact CG2-CE3 4.16Å; T148-W152 HydrophobicContact CG2-CH2 3.51Å; T148-W152 HydrophobicContact CG2-CZ2 3.36Å; T148-W152 HydrophobicContact CG2-CZ3 3.91Å; T148-W152 PolarHBondContact O-N 2.78Å; T148-W152 VanDerWaalsContact O-N 3.09Å |
| 149 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 176.8 | -55.6 | -38.8 | 0 | 0 | 0 | 112 | W85 L96 I123 A125 D145 A146 S151 W152 N153 V154 L157 | W85-F149 HydrophobicContact CZ2-CE1 4.35Å; L96-F149 HydrophobicContact CD1-CE1 3.91Å; L96-F149 HydrophobicContact CD1-CZ 3.72Å; I123-F149 HydrophobicContact CD1-CD1 4.48Å; I123-F149 HydrophobicContact CG2-CD1 3.78Å; I123-F149 HydrophobicContact CG2-CE1 3.98Å; I123-F149 HydrophobicContact CG2-CG 4.08Å; I123-F149 HydrophobicContact CG2-CZ 4.45Å; A125-F149 HydrophobicContact CB-CE2 4.15Å; A125-F149 HydrophobicContact CB-CZ 3.84Å; D145-F149 HydrophobicContact CB-CE2 3.89Å; D145-F149 HydrophobicContact CB-CZ 4.04Å; D145-F149 WeakPolarHBondContact O-CD2 3.34Å; D145-F149 WeakPolarHBondContact O-CG 3.09Å; D145-F149 PolarHBondContact O-N 3.05Å; A146-F149 PolarHBondContact O-N 2.68Å; F149-S151 VanDerWaalsContact C-N 3.31Å; F149-S151 PolarHBondContact O-N 2.99Å; F149-W152 HydrophobicContact CD1-CE3 4.14Å; F149-W152 HydrophobicContact CD1-CZ3 4.06Å; F149-W152 HydrophobicContact CE1-CZ3 4.24Å; F149-W152 PolarHBondContact O-N 3.21Å; F149-N153 PolarHBondContact O-N 2.73Å; F149-V154 HydrophobicContact CB-CB 4.12Å; F149-V154 HydrophobicContact CB-CG1 4.49Å; F149-V154 HydrophobicContact CB-CG2 4.26Å; F149-V154 WeakPolarHBondContact O-CB 3.42Å; F149-V154 PolarHBondContact O-N 2.76Å; F149-V154 VanDerWaalsContact O-N 3.08Å; F149-L157 HydrophobicContact CD2-CD1 4.02Å; F149-L157 HydrophobicContact CD2-CD2 4.21Å; F149-L157 HydrophobicContact CE2-CD1 3.69Å; F149-L157 HydrophobicContact CE2-CD2 4.1Å; F149-L157 HydrophobicContact CZ-CD1 4.24Å |
| 150 | A | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 12% | 0.116 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A146 T148 W152 N153 T183 R185 I187 | A146-A150 WeakPolarHBondContact O-CB 3.5Å; A146-A150 PolarHBondContact O-N 2.81Å; T148-A150 PolarHBondContact O-N 3.06Å; A150-W152 VanDerWaalsContact C-N 3.26Å; A150-W152 PolarHBondContact O-N 2.98Å; A150-N153 PolarHBondContact O-N 3.25Å; A150-N153 VanDerWaalsContact O-N 3.08Å; A150-T183 VanDerWaalsContact CB-CB 3.47Å; A150-T183 HydrophobicContact CB-CG2 3.72Å; A150-T183 WeakPolarHBondContact CB-OG1 3.34Å; A150-R185 HydrophobicContact CB-CB 4.04Å; A150-I187 HydrophobicContact CB-CD1 4.3Å |
| 151 | S | 98.7 | Very high | 98.8 | Very high | 63 Ų | 63 | 25.6 Ų | 25.6 | 44% | 0.441 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -67.1 | -24.7 | 177.8 | 80 | 0 | 0 | 0 | 0 | 114 | A147 T148 F149 N153 | A147-S151 WeakPolarHBondContact O-CB 3.19Å; A147-S151 PolarHBondContact O-N 3.01Å; T148-S151 PolarHBondContact O-N 2.99Å; T148-S151 VanDerWaalsContact O-N 3.13Å; T148-S151 PolarHBondContact O-OG 3.27Å; F149-S151 VanDerWaalsContact C-N 3.31Å; F149-S151 PolarHBondContact O-N 2.99Å; S151-N153 VanDerWaalsContact C-N 3.3Å |
| 152 | W | 98.9 | Very high | 98.8 | Very high | 44 Ų | 44 | 22.8 Ų | 22.8 | 17% | 0.167 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 1.8 | 173.8 | -64.3 | -20.7 | 0 | 0 | 0 | 113.4 | W85 L96 I107 R108 A111 I123 T148 F149 A150 V154 | W85-W152 AromaticContact CH2-CH2 3.65Å; W85-W152 HydrophobicContact CH2-CH2 3.65Å; W85-W152 AromaticContact CH2-CZ3 3.47Å; W85-W152 HydrophobicContact CH2-CZ3 3.47Å; W85-W152 VanDerWaalsContact CH2-CZ3 3.47Å; W85-W152 HydrophobicContact CZ2-CZ3 4.3Å; W85-W152 HydrophobicContact CZ3-CH2 4.05Å; W85-W152 AromaticContact CZ3-CZ3 3.99Å; W85-W152 HydrophobicContact CZ3-CZ3 3.99Å; L96-W152 HydrophobicContact CB-CH2 4.36Å; L96-W152 WeakPolarHBondContact O-CH2 3.41Å; L96-W152 WeakPolarHBondContact O-CZ2 3.4Å; I107-W152 HydrophobicContact CB-CD2 3.95Å; I107-W152 HydrophobicContact CB-CE3 3.74Å; I107-W152 HydrophobicContact CB-CG 4.34Å; I107-W152 HydrophobicContact CB-CZ3 4.22Å; I107-W152 HydrophobicContact CG1-CE3 4.09Å; I107-W152 HydrophobicContact CG1-CZ3 4.05Å; I107-W152 HydrophobicContact CG2-CB 4.15Å; I107-W152 HydrophobicContact CG2-CD2 4.14Å; I107-W152 HydrophobicContact CG2-CE3 3.67Å; I107-W152 HydrophobicContact CG2-CG 4.39Å; I107-W152 HydrophobicContact CG2-CZ3 4.39Å; R108-W152 HydrophobicContact CB-CB 4.23Å; R108-W152 HydrophobicContact CB-CG 4.33Å; A111-W152 WeakPolarHBondContact CB-O 3.14Å; I123-W152 HydrophobicContact CD1-CE3 4.28Å; I123-W152 HydrophobicContact CD1-CZ3 4.18Å; T148-W152 HydrophobicContact CG2-CD2 4.05Å; T148-W152 HydrophobicContact CG2-CE3 4.16Å; T148-W152 HydrophobicContact CG2-CH2 3.51Å; T148-W152 HydrophobicContact CG2-CZ2 3.36Å; T148-W152 HydrophobicContact CG2-CZ3 3.91Å; T148-W152 PolarHBondContact O-N 2.78Å; T148-W152 VanDerWaalsContact O-N 3.09Å; F149-W152 HydrophobicContact CD1-CE3 4.14Å; F149-W152 HydrophobicContact CD1-CZ3 4.06Å; F149-W152 HydrophobicContact CE1-CZ3 4.24Å; F149-W152 PolarHBondContact O-N 3.21Å; A150-W152 VanDerWaalsContact C-N 3.26Å; A150-W152 PolarHBondContact O-N 2.98Å; W152-V154 VanDerWaalsContact C-N 3.34Å; W152-V154 HydrophobicContact CB-CG2 4.28Å |
| 153 | N | 98.7 | Very high | 98.7 | Very high | 47 Ų | 47 | 25.3 Ų | 25.3 | 25% | 0.251 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 36.8 | -174.6 | -58.8 | -48.1 | 0 | 0 | 0 | 114.1 | A111 H115 F149 A150 S151 R185 | A111-N153 HydrophobicContact CB-CB 4.43Å; H115-N153 PolarHBondContact CE1-O 3.23Å; F149-N153 PolarHBondContact O-N 2.73Å; A150-N153 PolarHBondContact O-N 3.25Å; A150-N153 VanDerWaalsContact O-N 3.08Å; S151-N153 VanDerWaalsContact C-N 3.3Å; N153-R185 VanDerWaalsContact C-NE 3.26Å; N153-R185 PolarHBondContact O-NH2 2.71Å; N153-R185 PolarHBondContact OD1-NH1 2.84Å |
| 154 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -68.1 | 141.5 | 171.6 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | I107 I123 F149 W152 M156 R185 I187 | I107-V154 HydrophobicContact CG2-CG2 4.25Å; I123-V154 HydrophobicContact CB-CG1 4.05Å; I123-V154 HydrophobicContact CB-CG2 4.22Å; I123-V154 HydrophobicContact CD1-CG2 4.35Å; I123-V154 HydrophobicContact CG2-CB 4.47Å; I123-V154 HydrophobicContact CG2-CG1 3.65Å; I123-V154 HydrophobicContact CG2-CG2 4.13Å; F149-V154 HydrophobicContact CB-CB 4.12Å; F149-V154 HydrophobicContact CB-CG1 4.49Å; F149-V154 HydrophobicContact CB-CG2 4.26Å; F149-V154 WeakPolarHBondContact O-CB 3.42Å; F149-V154 PolarHBondContact O-N 2.76Å; F149-V154 VanDerWaalsContact O-N 3.08Å; W152-V154 VanDerWaalsContact C-N 3.34Å; W152-V154 HydrophobicContact CB-CG2 4.28Å; V154-M156 WeakPolarHBondContact CG1-O 3.45Å; V154-R185 WeakPolarHBondContact O-CD 3.32Å; V154-R185 PolarHBondContact O-NE 2.84Å; V154-I187 WeakPolarHBondContact O-CG1 3.4Å | ||
| 155 | D | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 22.7 Ų | 22.7 | 6% | 0.064 | 14% | 0.143 | C | C | . | . | trans | -105.7 | -17.6 | -177.1 | -57.3 | -69.3 | 0 | 0 | 0 | 114.2 | F78 H115 K120 L121 R185 I187 V188 | F78-D155 HydrophobicContact CE1-CB 3.96Å; H115-D155 IonicContact CD2-OD2 3.68Å; H115-D155 IonicContact CE1-OD2 2.65Å; H115-D155 IonicContact NE2-OD1 2.9Å; H115-D155 IonicContact NE2-OD2 3.08Å; H115-D155 PolarHBondContact NE2-OD2 3.5Å; K120-D155 VanDerWaalsContact CA-OD2 3.25Å; K120-D155 WeakPolarHBondContact CA-OD2 3.23Å; K120-D155 HydrophobicContact CB-CB 3.74Å; K120-D155 WeakPolarHBondContact CB-OD2 3.3Å; K120-D155 HydrophobicContact CD-CB 4.34Å; K120-D155 HydrophobicContact CG-CB 4.19Å; L121-D155 PolarHBondContact N-OD2 3.04Å; L121-D155 PolarHBondContact O-N 2.9Å; D155-R185 IonicContact OD1-CZ 2.93Å; D155-R185 IonicContact OD1-NH2 3.37Å; D155-R185 PolarHBondContact OD1-NH2 3.3Å; D155-I187 CarbonylContact O-C 3.47Å; D155-I187 WeakPolarHBondContact O-CA 3.43Å; D155-V188 PolarHBondContact O-N 3.03Å | ||
| 156 | M | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140.8 | 178.6 | 178.7 | 171.5 | 176.5 | 0 | 0 | 110.6 | F78 L121 G122 I123 V154 V188 L215 I285 | F78-M156 HydrophobicContact CD1-CB 3.9Å; F78-M156 HydrophobicContact CD1-SD 4.17Å; F78-M156 HydrophobicContact CE1-CB 3.76Å; F78-M156 HydrophobicContact CE1-SD 4.43Å; F78-M156 HydrophobicContact CG-SD 4.43Å; L121-M156 PolarHBondContact O-N 2.88Å; G122-M156 CarbonylContact C-O 3.6Å; G122-M156 VanDerWaalsContact CA-O 3.23Å; G122-M156 WeakPolarHBondContact CA-O 3.01Å; I123-M156 PolarHBondContact N-O 3Å; V154-M156 WeakPolarHBondContact CG1-O 3.45Å; M156-V188 CarbonylContact C-O 3.54Å; M156-V188 VanDerWaalsContact CA-O 3.24Å; M156-V188 WeakPolarHBondContact CA-O 3.43Å; M156-V188 HydrophobicContact CB-CB 4.01Å; M156-V188 HydrophobicContact CE-CG1 4.4Å; M156-V188 HydrophobicContact CG-CB 3.91Å; M156-V188 HydrophobicContact CG-CG1 4.04Å; M156-V188 WeakPolarHBondContact CG-O 3.5Å; M156-V188 HydrophobicContact SD-CB 4.45Å; M156-V188 HydrophobicContact SD-CG1 4.15Å; M156-L215 HydrophobicContact CE-CD1 4.04Å; M156-L215 HydrophobicContact CE-CD2 4.17Å; M156-I285 HydrophobicContact CE-CD1 4.33Å |
| 157 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.4 | 170.1 | 177.3 | 65.4 | 0 | 0 | 0 | 109.1 | I123 A125 F149 L159 M176 L180 I187 V188 Y189 S190 | I123-L157 HydrophobicContact CG2-CD1 3.82Å; I123-L157 WeakPolarHBondContact O-CA 3.19Å; A125-L157 HydrophobicContact CB-CD1 3.94Å; F149-L157 HydrophobicContact CD2-CD1 4.02Å; F149-L157 HydrophobicContact CD2-CD2 4.21Å; F149-L157 HydrophobicContact CE2-CD1 3.69Å; F149-L157 HydrophobicContact CE2-CD2 4.1Å; F149-L157 HydrophobicContact CZ-CD1 4.24Å; L157-L159 HydrophobicContact CD2-CB 4.47Å; L157-M176 HydrophobicContact CD2-CE 4.29Å; L157-M176 HydrophobicContact CD2-CG 3.94Å; L157-M176 HydrophobicContact CD2-SD 3.91Å; L157-L180 HydrophobicContact CB-CD1 4.48Å; L157-L180 HydrophobicContact CD2-CD1 4.04Å; L157-L180 HydrophobicContact CD2-CD2 4.25Å; L157-I187 HydrophobicContact CB-CG2 4.08Å; L157-V188 PolarHBondContact N-O 2.93Å; L157-Y189 HydrophobicContact CB-CD2 4.45Å; L157-Y189 HydrophobicContact CD2-CD2 4.31Å; L157-Y189 HydrophobicContact CD2-CE2 4.19Å; L157-S190 PolarHBondContact O-N 2.92Å |
| 158 | K | 98.9 | Very high | 98.3 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.2 | 156.3 | 175.3 | 179.9 | 162.4 | -166.8 | 0 | 108 | D82 I123 Y124 A125 S190 | D82-K158 IonicContact OD1-NZ 3.19Å; D82-K158 PolarHBondContact OD1-NZ 2.79Å; D82-K158 WeakPolarHBondContact OD2-CD 3.4Å; D82-K158 IonicContact OD2-NZ 3.81Å; D82-K158 PolarHBondContact OD2-NZ 3.45Å; I123-K158 PolarHBondContact O-N 2.93Å; Y124-K158 WeakPolarHBondContact CA-O 3.28Å; Y124-K158 HydrophobicContact CD2-CB 4.44Å; Y124-K158 HydrophobicContact CD2-CD 3.9Å; Y124-K158 HydrophobicContact CD2-CG 4.08Å; Y124-K158 HydrophobicContact CE2-CD 4.33Å; A125-K158 PolarHBondContact N-O 2.87Å; K158-S190 WeakPolarHBondContact CA-O 3Å |
| 159 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.5 | 172.7 | -169.6 | 75.2 | 0 | 0 | 0 | 109.8 | A125 F127 L157 Y173 M176 Y189 S190 S192 | A125-L159 HydrophobicContact CB-CD1 3.93Å; A125-L159 WeakPolarHBondContact O-CA 3.24Å; F127-L159 HydrophobicContact CB-CD2 3.94Å; F127-L159 HydrophobicContact CB-CG 4.13Å; L157-L159 HydrophobicContact CD2-CB 4.47Å; L159-Y173 HydrophobicContact CB-CE1 4.19Å; L159-Y173 HydrophobicContact CD2-CD1 3.92Å; L159-Y173 HydrophobicContact CD2-CE1 3.98Å; L159-Y173 HydrophobicContact CG-CE1 4.21Å; L159-Y173 WeakPolarHBondContact O-CE1 3.5Å; L159-Y173 PolarHBondContact O-OH 3.49Å; L159-M176 HydrophobicContact CD1-CE 4.28Å; L159-M176 HydrophobicContact CD2-CB 3.96Å; L159-M176 HydrophobicContact CD2-CG 3.99Å; L159-Y189 HydrophobicContact CB-CE2 3.71Å; L159-Y189 HydrophobicContact CD2-CE2 4.2Å; L159-Y189 WeakPolarHBondContact CD2-OH 3.44Å; L159-S190 PolarHBondContact N-O 2.78Å; L159-S192 PolarHBondContact O-N 2.74Å |
| 160 | D | 98.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -179.1 | 178.9 | -146 | -13.8 | 0 | 0 | 0 | 112.2 | Y124 A125 D126 F127 C132 Y173 S192 Y196 | Y124-D160 HydrophobicContact CE2-CB 3.57Å; Y124-D160 WeakPolarHBondContact CE2-OD2 3.33Å; Y124-D160 WeakPolarHBondContact OH-CB 3.46Å; Y124-D160 PolarHBondContact OH-OD2 2.79Å; A125-D160 PolarHBondContact O-N 3.3Å; D126-D160 HydrophobicContact CB-CB 4.18Å; F127-D160 WeakPolarHBondContact CB-O 3.47Å; F127-D160 PolarHBondContact N-O 3.41Å; C132-D160 PolarHBondContact SG-OD2 3.04Å; C132-D160 VanDerWaalsContact SG-OD2 3.35Å; D160-Y173 VanDerWaalsContact C-OH 3.26Å; D160-Y173 PolarHBondContact O-OH 3.23Å; D160-Y173 VanDerWaalsContact O-OH 3.08Å; D160-S192 PolarHBondContact OD1-OG 3.35Å; D160-Y196 WeakPolarHBondContact OD1-CE2 3.25Å; D160-Y196 VanDerWaalsContact OD1-CZ 3.3Å; D160-Y196 PolarHBondContact OD1-OH 3.26Å |
| 161 | G | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | trans | -140.6 | 27.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V164 M169 Y196 | G161-V164 WeakPolarHBondContact O-CG1 3.5Å; G161-M169 VanDerWaalsContact O-CE 3.23Å; G161-M169 WeakPolarHBondContact O-CE 3.14Å; G161-Y196 WeakPolarHBondContact O-CD1 3.43Å; G161-Y196 WeakPolarHBondContact O-CE1 3.18Å | ||
| 162 | C | 98.2 | Very high | 98 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | trans | -71.9 | 164.9 | 173 | -79.1 | 0 | 0 | 0 | 0 | 111.7 | D126 G128 C132 V164 Y196 | D126-C162 PolarHBondContact OD1-N 2.91Å; D126-C162 VanDerWaalsContact OD1-O 3.08Å; D126-C162 WeakPolarHBondContact OD2-CA 3.37Å; D126-C162 VanDerWaalsContact OD2-CB 3.25Å; D126-C162 WeakPolarHBondContact OD2-CB 3.49Å; D126-C162 PolarHBondContact OD2-N 3.49Å; G128-C162 VanDerWaalsContact CA-O 3.32Å; G128-C162 WeakPolarHBondContact CA-O 3.48Å; C132-C162 WeakPolarHBondContact CA-SG 3.1Å; C132-C162 HydrophobicContact CB-CB 3.93Å; C132-C162 WeakPolarHBondContact CB-SG 3.46Å; C132-C162 WeakPolarHBondContact SG-CB 3.43Å; C132-C162 CovalentContact SG-SG 2.04Å; C132-C162 PolarHBondContact SG-SG 3.35Å; C162-V164 VanDerWaalsContact C-N 3.27Å; C162-V164 PolarHBondContact O-N 2.97Å; C162-Y196 PolarHBondContact N-OH 2.9Å; C162-Y196 PolarHBondContact SG-OH 3.45Å | ||
| 163 | A | 97.7 | Very high | 98 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 51% | 0.512 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 49.5 | 38.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K129 K130 | K129-A163 PolarHBondContact N-O 3.17Å; K130-A163 HydrophobicContact CB-CB 4.09Å |
| 164 | V | 97.6 | Very high | 98 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 18% | 0.176 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -141.4 | 155.1 | 178.2 | 73 | 0 | 0 | 0 | 0 | 112.6 | F127 M139 G161 C162 V166 L168 M169 | F127-V164 HydrophobicContact CD1-CB 4.47Å; F127-V164 HydrophobicContact CD1-CG1 4.07Å; F127-V164 HydrophobicContact CD1-CG2 3.94Å; F127-V164 HydrophobicContact CE1-CG1 4.47Å; F127-V164 HydrophobicContact CE1-CG2 3.67Å; F127-V164 HydrophobicContact CZ-CG2 4.33Å; M139-V164 HydrophobicContact CE-CG2 3.47Å; M139-V164 VanDerWaalsContact CE-CG2 3.47Å; M139-V164 HydrophobicContact SD-CG2 4.02Å; G161-V164 WeakPolarHBondContact O-CG1 3.5Å; C162-V164 VanDerWaalsContact C-N 3.27Å; C162-V164 PolarHBondContact O-N 2.97Å; V164-V166 PolarHBondContact O-N 3.17Å; V164-L168 HydrophobicContact CG2-CB 4.49Å; V164-L168 HydrophobicContact CG2-CD1 4.4Å; V164-M169 HydrophobicContact CG1-CE 3.32Å; V164-M169 HydrophobicContact CG1-CG 4.45Å |
| 165 | N | 97.4 | Very high | 97.9 | Very high | 90 Ų | 90 | 40.4 Ų | 40.4 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | trans | -73.7 | 119.8 | 167.4 | -176.6 | -23.8 | 0 | 0 | 0 | 109.3 | R167 L168 | N165-R167 PolarHBondContact O-N 2.81Å; N165-R167 WeakPolarHBondContact OD1-CB 3.35Å; N165-R167 PolarHBondContact OD1-N 3.37Å; N165-L168 HydrophobicContact CB-CD1 4.09Å; N165-L168 HydrophobicContact CB-CG 4.25Å; N165-L168 WeakPolarHBondContact O-CB 3.19Å; N165-L168 PolarHBondContact O-N 3.06Å | ||
| 166 | V | 97.1 | Very high | 97.9 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -55 | -28.5 | -177.8 | -58.7 | 0 | 0 | 0 | 0 | 113.6 | V164 L168 M169 K200 M202 | V164-V166 PolarHBondContact O-N 3.17Å; V166-L168 PolarHBondContact O-N 2.83Å; V166-L168 VanDerWaalsContact O-N 3.12Å; V166-M169 HydrophobicContact CB-SD 4.33Å; V166-M169 HydrophobicContact CG1-CE 4.18Å; V166-M169 HydrophobicContact CG1-SD 4.41Å; V166-M169 VanDerWaalsContact O-CB 3.3Å; V166-M169 WeakPolarHBondContact O-CB 3.34Å; V166-M169 WeakPolarHBondContact O-CG 3.46Å; V166-M169 PolarHBondContact O-N 3.25Å; V166-K200 HydrophobicContact CB-CG 4.37Å; V166-K200 HydrophobicContact CG1-CB 4.4Å; V166-K200 HydrophobicContact CG1-CG 3.54Å; V166-K200 HydrophobicContact CG2-CB 4.18Å; V166-K200 HydrophobicContact CG2-CG 4.03Å; V166-M202 HydrophobicContact CB-SD 4.48Å; V166-M202 HydrophobicContact CG2-SD 3.49Å; V166-M202 WeakPolarHBondContact CG2-SD 3.42Å |
| 167 | R | 96.5 | Very high | 97.8 | Very high | 201 Ų | 201 | 39.7 Ų | 39.7 | 76% | 0.758 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -65.3 | -15.8 | 177.4 | -63.4 | -177.2 | 179.4 | -117.4 | 0.6 | 113.7 | N165 | N165-R167 PolarHBondContact O-N 2.81Å; N165-R167 WeakPolarHBondContact OD1-CB 3.35Å; N165-R167 PolarHBondContact OD1-N 3.37Å |
| 168 | L | 97.5 | Very high | 97.7 | Very high | 73 Ų | 73 | 42.9 Ų | 42.9 | 38% | 0.382 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -87.5 | -13.8 | 177.2 | -59.5 | 174.8 | 0 | 0 | 0 | 112.5 | F127 M139 V164 N165 V166 A170 K171 G172 | F127-L168 HydrophobicContact CE1-CB 4.04Å; F127-L168 HydrophobicContact CZ-CB 4.16Å; M139-L168 HydrophobicContact CE-CD1 3.27Å; V164-L168 HydrophobicContact CG2-CB 4.49Å; V164-L168 HydrophobicContact CG2-CD1 4.4Å; N165-L168 HydrophobicContact CB-CD1 4.09Å; N165-L168 HydrophobicContact CB-CG 4.25Å; N165-L168 WeakPolarHBondContact O-CB 3.19Å; N165-L168 PolarHBondContact O-N 3.06Å; V166-L168 PolarHBondContact O-N 2.83Å; V166-L168 VanDerWaalsContact O-N 3.12Å; L168-A170 PolarHBondContact O-N 2.72Å; L168-K171 PolarHBondContact O-N 2.94Å; L168-K171 VanDerWaalsContact O-N 3.12Å; L168-G172 PolarHBondContact O-N 2.86Å |
| 169 | M | 97.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | -174.2 | -66.2 | -174.9 | 171.4 | 0 | 0 | 112.4 | F127 G161 V164 V166 K171 G172 Y173 W193 Y196 | F127-M169 HydrophobicContact CD1-CG 4.11Å; F127-M169 HydrophobicContact CE1-CG 4.23Å; G161-M169 VanDerWaalsContact O-CE 3.23Å; G161-M169 WeakPolarHBondContact O-CE 3.14Å; V164-M169 HydrophobicContact CG1-CE 3.32Å; V164-M169 HydrophobicContact CG1-CG 4.45Å; V166-M169 HydrophobicContact CB-SD 4.33Å; V166-M169 HydrophobicContact CG1-CE 4.18Å; V166-M169 HydrophobicContact CG1-SD 4.41Å; V166-M169 VanDerWaalsContact O-CB 3.3Å; V166-M169 WeakPolarHBondContact O-CB 3.34Å; V166-M169 WeakPolarHBondContact O-CG 3.46Å; V166-M169 PolarHBondContact O-N 3.25Å; M169-K171 PolarHBondContact O-N 3.14Å; M169-G172 PolarHBondContact O-N 3.31Å; M169-Y173 HydrophobicContact CB-CD2 3.69Å; M169-Y173 HydrophobicContact CB-CE2 3.84Å; M169-Y173 HydrophobicContact CG-CD2 4.11Å; M169-Y173 HydrophobicContact CG-CE2 3.76Å; M169-Y173 PolarHBondContact O-N 2.81Å; M169-Y173 HydrophobicContact SD-CE2 3.97Å; M169-W193 VanDerWaalsContact CB-CD1 3.44Å; M169-W193 HydrophobicContact CB-CG 4.1Å; M169-Y196 VanDerWaalsContact CE-CB 3.46Å; M169-Y196 HydrophobicContact CE-CD1 4.26Å; M169-Y196 HydrophobicContact CE-CD2 3.97Å; M169-Y196 HydrophobicContact CE-CG 3.65Å; M169-Y196 VanDerWaalsContact SD-CB 3.59Å; M169-Y196 HydrophobicContact SD-CG 4.3Å |
| 170 | A | 96.4 | Very high | 97.7 | Very high | 56 Ų | 56 | 45 Ų | 45 | 46% | 0.463 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -12.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L168 P174 W193 | L168-A170 PolarHBondContact O-N 2.72Å; A170-P174 WeakPolarHBondContact O-CG 3.46Å; A170-W193 HydrophobicContact CB-CH2 4.15Å; A170-W193 HydrophobicContact CB-CZ2 3.57Å |
| 171 | K | 96.7 | Very high | 97.5 | Very high | 137 Ų | 137 | 47.8 Ų | 47.8 | 60% | 0.596 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -103 | -50.6 | 170.7 | -179.6 | -179.7 | 171.4 | -176.8 | 0 | 111.5 | L168 M169 P174 E175 | L168-K171 PolarHBondContact O-N 2.94Å; L168-K171 VanDerWaalsContact O-N 3.12Å; M169-K171 PolarHBondContact O-N 3.14Å; K171-P174 WeakPolarHBondContact O-CD 3.33Å; K171-E175 WeakPolarHBondContact CE-OE1 3.44Å; K171-E175 HydrophobicContact CG-CG 4.4Å; K171-E175 IonicContact NZ-OE1 3.85Å; K171-E175 WeakPolarHBondContact O-CG 3.46Å; K171-E175 PolarHBondContact O-N 3.25Å |
| 172 | G | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -40.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F127 L168 M169 E175 M176 | F127-G172 VanDerWaalsContact CE2-CA 3.47Å; L168-G172 PolarHBondContact O-N 2.86Å; M169-G172 PolarHBondContact O-N 3.31Å; G172-E175 PolarHBondContact O-N 3.38Å; G172-M176 PolarHBondContact O-N 3.28Å |
| 173 | Y | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -48 | 178.7 | -82.7 | -90.7 | 0 | 0 | 0 | 112.1 | F127 L159 D160 M169 E175 M176 G177 Y189 C191 W193 | F127-Y173 HydrophobicContact CB-CE2 4.33Å; F127-Y173 HydrophobicContact CD1-CD2 4.37Å; F127-Y173 HydrophobicContact CD1-CE2 4.19Å; L159-Y173 HydrophobicContact CB-CE1 4.19Å; L159-Y173 HydrophobicContact CD2-CD1 3.92Å; L159-Y173 HydrophobicContact CD2-CE1 3.98Å; L159-Y173 HydrophobicContact CG-CE1 4.21Å; L159-Y173 WeakPolarHBondContact O-CE1 3.5Å; L159-Y173 PolarHBondContact O-OH 3.49Å; D160-Y173 VanDerWaalsContact C-OH 3.26Å; D160-Y173 PolarHBondContact O-OH 3.23Å; D160-Y173 VanDerWaalsContact O-OH 3.08Å; M169-Y173 HydrophobicContact CB-CD2 3.69Å; M169-Y173 HydrophobicContact CB-CE2 3.84Å; M169-Y173 HydrophobicContact CG-CD2 4.11Å; M169-Y173 HydrophobicContact CG-CE2 3.76Å; M169-Y173 PolarHBondContact O-N 2.81Å; M169-Y173 HydrophobicContact SD-CE2 3.97Å; Y173-E175 VanDerWaalsContact C-N 3.34Å; Y173-E175 PolarHBondContact O-N 2.74Å; Y173-M176 PolarHBondContact O-N 3.38Å; Y173-G177 PolarHBondContact O-N 2.83Å; Y173-Y189 WeakPolarHBondContact CA-OH 3.43Å; Y173-Y189 WeakPolarHBondContact CD1-OH 3.43Å; Y173-Y189 WeakPolarHBondContact O-CE1 3.45Å; Y173-Y189 PolarHBondContact O-OH 2.9Å; Y173-C191 HydrophobicContact CD1-CB 3.74Å; Y173-C191 HydrophobicContact CE1-CB 3.85Å; Y173-W193 HydrophobicContact CD1-CB 3.89Å; Y173-W193 HydrophobicContact CD2-CB 3.6Å; Y173-W193 HydrophobicContact CD2-CD2 4.24Å; Y173-W193 AromaticContact CD2-CG 3.8Å; Y173-W193 HydrophobicContact CD2-CG 3.8Å; Y173-W193 HydrophobicContact CE1-CB 3.87Å; Y173-W193 HydrophobicContact CE2-CB 3.59Å; Y173-W193 HydrophobicContact CE2-CG 4.09Å; Y173-W193 HydrophobicContact CG-CB 3.74Å; Y173-W193 HydrophobicContact CG-CD2 4.31Å; Y173-W193 HydrophobicContact CG-CE3 4.22Å; Y173-W193 HydrophobicContact CG-CG 4.13Å; Y173-W193 PolarHBondContact OH-N 3.45Å |
| 174 | P | 98 | Very high | 97.4 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 170.6 | -27.6 | 35 | 0 | 0 | 0 | 114.2 | A170 K171 G177 L178 W193 | A170-P174 WeakPolarHBondContact O-CG 3.46Å; K171-P174 WeakPolarHBondContact O-CD 3.33Å; P174-G177 PolarHBondContact O-N 3.28Å; P174-L178 PolarHBondContact O-N 3.15Å; P174-W193 HydrophobicContact CG-CZ3 4.15Å |
| 175 | E | 97.8 | Very high | 97.4 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 177.8 | -80.6 | -179.4 | 160.3 | 0 | 0 | 112.5 | L142 K171 G172 Y173 L178 Y179 | L142-E175 HydrophobicContact CD1-CB 4.16Å; K171-E175 WeakPolarHBondContact CE-OE1 3.44Å; K171-E175 HydrophobicContact CG-CG 4.4Å; K171-E175 IonicContact NZ-OE1 3.85Å; K171-E175 WeakPolarHBondContact O-CG 3.46Å; K171-E175 PolarHBondContact O-N 3.25Å; G172-E175 PolarHBondContact O-N 3.38Å; Y173-E175 VanDerWaalsContact C-N 3.34Å; Y173-E175 PolarHBondContact O-N 2.74Å; E175-L178 WeakPolarHBondContact O-CB 3.45Å; E175-L178 PolarHBondContact O-N 2.83Å; E175-Y179 HydrophobicContact CB-CE2 4.11Å; E175-Y179 WeakPolarHBondContact O-CD2 3.37Å; E175-Y179 PolarHBondContact O-N 3.01Å |
| 176 | M | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 173.6 | 174.2 | 61.3 | 78.9 | 0 | 0 | 111.2 | L142 A146 L157 L159 G172 Y173 L178 Y179 L180 Y189 | L142-M176 HydrophobicContact CB-CE 3.98Å; L142-M176 HydrophobicContact CD2-CB 4.49Å; L142-M176 HydrophobicContact CD2-CE 3.62Å; L142-M176 HydrophobicContact CG-CE 4.4Å; A146-M176 HydrophobicContact CB-SD 3.92Å; L157-M176 HydrophobicContact CD2-CE 4.29Å; L157-M176 HydrophobicContact CD2-CG 3.94Å; L157-M176 HydrophobicContact CD2-SD 3.91Å; L159-M176 HydrophobicContact CD1-CE 4.28Å; L159-M176 HydrophobicContact CD2-CB 3.96Å; L159-M176 HydrophobicContact CD2-CG 3.99Å; G172-M176 PolarHBondContact O-N 3.28Å; Y173-M176 PolarHBondContact O-N 3.38Å; M176-L178 VanDerWaalsContact C-N 3.3Å; M176-L178 PolarHBondContact O-N 3.44Å; M176-Y179 PolarHBondContact O-N 2.88Å; M176-Y179 VanDerWaalsContact O-N 3.1Å; M176-L180 HydrophobicContact CG-CD1 4.16Å; M176-L180 HydrophobicContact CG-CG 4.3Å; M176-L180 WeakPolarHBondContact O-CG 2.96Å; M176-L180 PolarHBondContact O-N 3.25Å; M176-L180 HydrophobicContact SD-CD1 4.41Å; M176-L180 HydrophobicContact SD-CD2 4.26Å; M176-L180 HydrophobicContact SD-CG 3.99Å; M176-Y189 WeakPolarHBondContact CB-OH 3.41Å; M176-Y189 HydrophobicContact CG-CE2 3.83Å |
| 177 | G | 97.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y173 P174 L180 N181 | Y173-G177 PolarHBondContact O-N 2.83Å; P174-G177 PolarHBondContact O-N 3.28Å; G177-L180 PolarHBondContact O-N 2.93Å; G177-N181 PolarHBondContact O-N 3.01Å; G177-N181 VanDerWaalsContact O-N 3.09Å |
| 178 | L | 97.1 | Very high | 97.6 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 173.2 | -178.2 | 84.2 | 0 | 0 | 0 | 111.5 | P174 E175 M176 N181 Q182 | P174-L178 PolarHBondContact O-N 3.15Å; E175-L178 WeakPolarHBondContact O-CB 3.45Å; E175-L178 PolarHBondContact O-N 2.83Å; M176-L178 VanDerWaalsContact C-N 3.3Å; M176-L178 PolarHBondContact O-N 3.44Å; L178-N181 PolarHBondContact O-N 3.12Å; L178-Q182 WeakPolarHBondContact O-CG 3.34Å; L178-Q182 PolarHBondContact O-N 3.43Å |
| 179 | Y | 98.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 45.4 Ų | 45.4 | 21% | 0.212 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -38.4 | -178.8 | -64.8 | -43.1 | 0 | 0 | 0 | 112.7 | L142 K143 E175 M176 N181 Q182 T183 | L142-Y179 HydrophobicContact CB-CD2 3.75Å; L142-Y179 HydrophobicContact CB-CE2 3.92Å; K143-Y179 HydrophobicContact CB-CD1 3.86Å; K143-Y179 HydrophobicContact CB-CD2 3.87Å; K143-Y179 HydrophobicContact CB-CE1 3.94Å; K143-Y179 HydrophobicContact CB-CE2 3.95Å; K143-Y179 HydrophobicContact CB-CG 3.85Å; K143-Y179 HydrophobicContact CD-CD1 4.09Å; K143-Y179 HydrophobicContact CD-CE1 3.9Å; K143-Y179 HydrophobicContact CG-CD1 3.72Å; K143-Y179 HydrophobicContact CG-CE1 3.96Å; K143-Y179 HydrophobicContact CG-CG 4.08Å; E175-Y179 HydrophobicContact CB-CE2 4.11Å; E175-Y179 WeakPolarHBondContact O-CD2 3.37Å; E175-Y179 PolarHBondContact O-N 3.01Å; M176-Y179 PolarHBondContact O-N 2.88Å; M176-Y179 VanDerWaalsContact O-N 3.1Å; Y179-N181 PolarHBondContact O-N 3.02Å; Y179-Q182 WeakPolarHBondContact O-CB 2.98Å; Y179-Q182 PolarHBondContact O-N 3.39Å; Y179-T183 VanDerWaalsContact O-CG2 3.3Å; Y179-T183 WeakPolarHBondContact O-CG2 3.1Å; Y179-T183 PolarHBondContact O-N 2.92Å |
| 180 | L | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 171.5 | -69.3 | 172.8 | 0 | 0 | 0 | 110.6 | A146 L157 M176 G177 Q182 T183 I187 Y189 | A146-L180 HydrophobicContact CB-CD2 3.99Å; A146-L180 HydrophobicContact CB-CG 4.39Å; L157-L180 HydrophobicContact CB-CD1 4.48Å; L157-L180 HydrophobicContact CD2-CD1 4.04Å; L157-L180 HydrophobicContact CD2-CD2 4.25Å; M176-L180 HydrophobicContact CG-CD1 4.16Å; M176-L180 HydrophobicContact CG-CG 4.3Å; M176-L180 WeakPolarHBondContact O-CG 2.96Å; M176-L180 PolarHBondContact O-N 3.25Å; M176-L180 HydrophobicContact SD-CD1 4.41Å; M176-L180 HydrophobicContact SD-CD2 4.26Å; M176-L180 HydrophobicContact SD-CG 3.99Å; G177-L180 PolarHBondContact O-N 2.93Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 3.18Å; L180-T183 WeakPolarHBondContact O-CB 3.41Å; L180-T183 PolarHBondContact O-N 2.94Å; L180-T183 VanDerWaalsContact O-N 3.09Å; L180-T183 PolarHBondContact O-OG1 3.47Å; L180-I187 HydrophobicContact CD1-CG2 4.37Å; L180-I187 HydrophobicContact CD2-CB 4.36Å; L180-I187 HydrophobicContact CD2-CD1 3.75Å; L180-I187 HydrophobicContact CD2-CG2 4.16Å; L180-Y189 HydrophobicContact CD1-CD1 4.4Å; L180-Y189 HydrophobicContact CD1-CD2 3.7Å; L180-Y189 HydrophobicContact CD1-CE2 4.23Å; L180-Y189 HydrophobicContact CD1-CG 3.82Å |
| 181 | N | 96.1 | Very high | 97.9 | Very high | 73 Ų | 73 | 43 Ų | 43 | 39% | 0.39 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.5 | -35.8 | 178.3 | -169.2 | 17.7 | 0 | 0 | 0 | 112.7 | G177 L178 Y179 T183 K184 | G177-N181 PolarHBondContact O-N 3.01Å; G177-N181 VanDerWaalsContact O-N 3.09Å; L178-N181 PolarHBondContact O-N 3.12Å; Y179-N181 PolarHBondContact O-N 3.02Å; N181-T183 PolarHBondContact O-N 2.02Å; N181-K184 PolarHBondContact O-N 2.98Å; N181-K184 VanDerWaalsContact O-N 3.11Å |
| 182 | Q | 96.8 | Very high | 98 | Very high | 95 Ų | 95 | 36.6 Ų | 36.6 | 44% | 0.444 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.6 | -27 | 175.9 | -75.6 | 176.1 | 9.8 | 0 | 0 | 113.1 | L178 Y179 L180 K184 | L178-Q182 WeakPolarHBondContact O-CG 3.34Å; L178-Q182 PolarHBondContact O-N 3.43Å; Y179-Q182 WeakPolarHBondContact O-CB 2.98Å; Y179-Q182 PolarHBondContact O-N 3.39Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 3.18Å; Q182-K184 PolarHBondContact O-N 2.72Å |
| 183 | T | 97.8 | Very high | 98 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.6 | 176.4 | 75.9 | 0 | 0 | 0 | 0 | 113.8 | A146 A150 Y179 L180 N181 R185 | A146-T183 HydrophobicContact CB-CG2 4.37Å; A150-T183 VanDerWaalsContact CB-CB 3.47Å; A150-T183 HydrophobicContact CB-CG2 3.72Å; A150-T183 WeakPolarHBondContact CB-OG1 3.34Å; Y179-T183 VanDerWaalsContact O-CG2 3.3Å; Y179-T183 WeakPolarHBondContact O-CG2 3.1Å; Y179-T183 PolarHBondContact O-N 2.92Å; L180-T183 WeakPolarHBondContact O-CB 3.41Å; L180-T183 PolarHBondContact O-N 2.94Å; L180-T183 VanDerWaalsContact O-N 3.09Å; L180-T183 PolarHBondContact O-OG1 3.47Å; N181-T183 PolarHBondContact O-N 2.02Å; T183-R185 PolarHBondContact O-N 2.78Å; T183-R185 PolarHBondContact OG1-N 3.08Å |
| 184 | K | 96.7 | Very high | 98 | Very high | 171 Ų | 171 | 36.8 Ų | 36.8 | 74% | 0.743 | 19% | 0.185 | S | C | * | . | trans | 64.2 | -3.7 | -174 | -50.8 | -57.9 | 177.9 | -173.9 | 0 | 115.5 | N181 Q182 | N181-K184 PolarHBondContact O-N 2.98Å; N181-K184 VanDerWaalsContact O-N 3.11Å; Q182-K184 PolarHBondContact O-N 2.72Å | ||
| 185 | R | 97.8 | Very high | 98 | Very high | 55 Ų | 55 | 36.1 Ų | 36.1 | 21% | 0.208 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -77.6 | 129.4 | 168.5 | -172.8 | 175.6 | 178.2 | 81.6 | 10.6 | 109 | A150 N153 V154 D155 T183 I187 | A150-R185 HydrophobicContact CB-CB 4.04Å; N153-R185 VanDerWaalsContact C-NE 3.26Å; N153-R185 PolarHBondContact O-NH2 2.71Å; N153-R185 PolarHBondContact OD1-NH1 2.84Å; V154-R185 WeakPolarHBondContact O-CD 3.32Å; V154-R185 PolarHBondContact O-NE 2.84Å; D155-R185 IonicContact OD1-CZ 2.93Å; D155-R185 IonicContact OD1-NH2 3.37Å; D155-R185 PolarHBondContact OD1-NH2 3.3Å; T183-R185 PolarHBondContact O-N 2.78Å; T183-R185 PolarHBondContact OG1-N 3.08Å; R185-I187 HydrophobicContact CB-CD1 4.39Å; R185-I187 HydrophobicContact CB-CG1 4.32Å; R185-I187 HydrophobicContact CG-CD1 4.47Å; R185-I187 HydrophobicContact CG-CG1 4.09Å; R185-I187 PolarHBondContact O-N 3.35Å |
| 186 | P | 97.7 | Very high | 98 | Very high | 83 Ų | 83 | 34.6 Ų | 34.6 | 54% | 0.539 | 17% | 0.17 | S | C | . | . | trans | -67.2 | 113.6 | 171.1 | -15.4 | 29.4 | 0 | 0 | 0 | 109.8 | L26 | L26-P186 HydrophobicContact CD1-CB 3.73Å; L26-P186 HydrophobicContact CD2-CB 3.92Å; L26-P186 HydrophobicContact CG-CB 4.22Å | ||
| 187 | I | 98.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | trans | -126.1 | 119.4 | 178.3 | -60.8 | 175.8 | 0 | 0 | 0 | 107.9 | N24 A150 V154 D155 L157 L180 R185 Y189 | N24-I187 PolarHBondContact ND2-O 3.23Å; A150-I187 HydrophobicContact CB-CD1 4.3Å; V154-I187 WeakPolarHBondContact O-CG1 3.4Å; D155-I187 CarbonylContact O-C 3.47Å; D155-I187 WeakPolarHBondContact O-CA 3.43Å; L157-I187 HydrophobicContact CB-CG2 4.08Å; L180-I187 HydrophobicContact CD1-CG2 4.37Å; L180-I187 HydrophobicContact CD2-CB 4.36Å; L180-I187 HydrophobicContact CD2-CD1 3.75Å; L180-I187 HydrophobicContact CD2-CG2 4.16Å; R185-I187 HydrophobicContact CB-CD1 4.39Å; R185-I187 HydrophobicContact CB-CG1 4.32Å; R185-I187 HydrophobicContact CG-CD1 4.47Å; R185-I187 HydrophobicContact CG-CG1 4.09Å; R185-I187 PolarHBondContact O-N 3.35Å; I187-Y189 PolarHBondContact O-N 3.23Å | ||
| 188 | V | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129.4 | 171.6 | 174.4 | 0 | 0 | 0 | 0 | 108.5 | L26 S27 P31 F78 D155 M156 L157 N214 L215 | L26-V188 HydrophobicContact CB-CG2 4.03Å; L26-V188 HydrophobicContact CD1-CG2 3.93Å; S27-V188 WeakPolarHBondContact OG-CG1 3.5Å; P31-V188 HydrophobicContact CG-CG1 4.45Å; F78-V188 HydrophobicContact CE1-CG2 4.35Å; F78-V188 HydrophobicContact CZ-CG2 3.79Å; D155-V188 PolarHBondContact O-N 3.03Å; M156-V188 CarbonylContact C-O 3.54Å; M156-V188 VanDerWaalsContact CA-O 3.24Å; M156-V188 WeakPolarHBondContact CA-O 3.43Å; M156-V188 HydrophobicContact CB-CB 4.01Å; M156-V188 HydrophobicContact CE-CG1 4.4Å; M156-V188 HydrophobicContact CG-CB 3.91Å; M156-V188 HydrophobicContact CG-CG1 4.04Å; M156-V188 WeakPolarHBondContact CG-O 3.5Å; M156-V188 HydrophobicContact SD-CB 4.45Å; M156-V188 HydrophobicContact SD-CG1 4.15Å; L157-V188 PolarHBondContact N-O 2.93Å; V188-N214 WeakPolarHBondContact CA-OD1 2.99Å; V188-N214 HydrophobicContact CG1-CB 3.99Å; V188-L215 HydrophobicContact CG1-CD2 3.64Å |
| 189 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 106.7 | -174.4 | -173.8 | -145.5 | 0 | 0 | 0 | 112 | L22 L157 L159 Y173 M176 L180 I187 C191 S212 N214 L215 | L22-Y189 HydrophobicContact CD2-CD1 4.12Å; L157-Y189 HydrophobicContact CB-CD2 4.45Å; L157-Y189 HydrophobicContact CD2-CD2 4.31Å; L157-Y189 HydrophobicContact CD2-CE2 4.19Å; L159-Y189 HydrophobicContact CB-CE2 3.71Å; L159-Y189 HydrophobicContact CD2-CE2 4.2Å; L159-Y189 WeakPolarHBondContact CD2-OH 3.44Å; Y173-Y189 WeakPolarHBondContact CA-OH 3.43Å; Y173-Y189 WeakPolarHBondContact CD1-OH 3.43Å; Y173-Y189 WeakPolarHBondContact O-CE1 3.45Å; Y173-Y189 PolarHBondContact O-OH 2.9Å; M176-Y189 WeakPolarHBondContact CB-OH 3.41Å; M176-Y189 HydrophobicContact CG-CE2 3.83Å; L180-Y189 HydrophobicContact CD1-CD1 4.4Å; L180-Y189 HydrophobicContact CD1-CD2 3.7Å; L180-Y189 HydrophobicContact CD1-CE2 4.23Å; L180-Y189 HydrophobicContact CD1-CG 3.82Å; I187-Y189 PolarHBondContact O-N 3.23Å; Y189-C191 WeakPolarHBondContact CE1-SG 3.32Å; Y189-C191 VanDerWaalsContact CZ-SG 3.53Å; Y189-S212 VanDerWaalsContact CD1-O 3.26Å; Y189-S212 WeakPolarHBondContact CD1-O 3.47Å; Y189-S212 WeakPolarHBondContact CE1-O 3.46Å; Y189-N214 PolarHBondContact N-OD1 3.17Å; Y189-N214 PolarHBondContact O-N 3.29Å; Y189-L215 PolarHBondContact O-N 3Å |
| 190 | S | 98.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.3 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | L157 K158 L159 L215 | L157-S190 PolarHBondContact O-N 2.92Å; K158-S190 WeakPolarHBondContact CA-O 3Å; L159-S190 PolarHBondContact N-O 2.78Å; S190-L215 WeakPolarHBondContact CA-O 3.46Å |
| 191 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.1 | -174 | -63.1 | 0 | 0 | 0 | 0 | 112 | Y173 Y189 W193 C213 L215 W216 R217 | Y173-C191 HydrophobicContact CD1-CB 3.74Å; Y173-C191 HydrophobicContact CE1-CB 3.85Å; Y189-C191 WeakPolarHBondContact CE1-SG 3.32Å; Y189-C191 VanDerWaalsContact CZ-SG 3.53Å; C191-W193 HydrophobicContact CB-CB 4.47Å; C191-W193 PolarHBondContact O-N 2.68Å; C191-C213 HydrophobicContact CB-CB 3.74Å; C191-C213 WeakPolarHBondContact CB-SG 3.28Å; C191-C213 WeakPolarHBondContact SG-CB 3.47Å; C191-C213 CovalentContact SG-SG 2.02Å; C191-C213 PolarHBondContact SG-SG 3.02Å; C191-L215 PolarHBondContact N-O 2.98Å; C191-W216 HydrophobicContact CB-CB 4.4Å; C191-W216 CarbonylContact O-C 3.26Å; C191-W216 WeakPolarHBondContact O-CA 3.48Å; C191-W216 WeakPolarHBondContact O-CB 3.44Å; C191-R217 PolarHBondContact O-N 3.25Å |
| 192 | S | 98.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | -83 | 4.9 | 169.7 | -57.9 | 0 | 0 | 0 | 0 | 114.3 | L159 D160 F195 Y196 | L159-S192 PolarHBondContact O-N 2.74Å; D160-S192 PolarHBondContact OD1-OG 3.35Å; S192-F195 WeakPolarHBondContact O-CB 3.26Å; S192-F195 PolarHBondContact O-N 3.4Å; S192-Y196 VanDerWaalsContact O-CD2 3.26Å; S192-Y196 WeakPolarHBondContact O-CD2 3.24Å | ||
| 193 | W | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 2% | 0.023 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -48.4 | -60 | -172 | 177.7 | 9.6 | 0 | 0 | 0 | 115.1 | M169 A170 Y173 P174 C191 F195 Y196 E197 A208 V209 | M169-W193 VanDerWaalsContact CB-CD1 3.44Å; M169-W193 HydrophobicContact CB-CG 4.1Å; A170-W193 HydrophobicContact CB-CH2 4.15Å; A170-W193 HydrophobicContact CB-CZ2 3.57Å; Y173-W193 HydrophobicContact CD1-CB 3.89Å; Y173-W193 HydrophobicContact CD2-CB 3.6Å; Y173-W193 HydrophobicContact CD2-CD2 4.24Å; Y173-W193 AromaticContact CD2-CG 3.8Å; Y173-W193 HydrophobicContact CD2-CG 3.8Å; Y173-W193 HydrophobicContact CE1-CB 3.87Å; Y173-W193 HydrophobicContact CE2-CB 3.59Å; Y173-W193 HydrophobicContact CE2-CG 4.09Å; Y173-W193 HydrophobicContact CG-CB 3.74Å; Y173-W193 HydrophobicContact CG-CD2 4.31Å; Y173-W193 HydrophobicContact CG-CE3 4.22Å; Y173-W193 HydrophobicContact CG-CG 4.13Å; Y173-W193 PolarHBondContact OH-N 3.45Å; P174-W193 HydrophobicContact CG-CZ3 4.15Å; C191-W193 HydrophobicContact CB-CB 4.47Å; C191-W193 PolarHBondContact O-N 2.68Å; W193-F195 VanDerWaalsContact C-N 3.27Å; W193-F195 PolarHBondContact O-N 3.31Å; W193-Y196 PolarHBondContact O-N 2.93Å; W193-Y196 VanDerWaalsContact O-N 3.15Å; W193-E197 PolarHBondContact NE1-OE1 3.22Å; W193-E197 PolarHBondContact NE1-OE2 3.46Å; W193-E197 PolarHBondContact O-N 2.91Å; W193-A208 HydrophobicContact CH2-CB 4.14Å; W193-V209 HydrophobicContact CD2-CG2 3.93Å; W193-V209 HydrophobicContact CE3-CB 4.45Å; W193-V209 HydrophobicContact CE3-CG2 3.77Å; W193-V209 HydrophobicContact CH2-CG2 4.3Å; W193-V209 HydrophobicContact CZ2-CG2 4.43Å; W193-V209 HydrophobicContact CZ3-CG2 3.98Å |
| 194 | P | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -27.8 | -171.6 | 22 | -29.1 | 0 | 0 | 0 | 113.4 | T198 P204 Y206 V209 W216 R217 | P194-T198 WeakPolarHBondContact O-CB 3.45Å; P194-T198 PolarHBondContact O-N 3.31Å; P194-T198 PolarHBondContact O-OG1 2.85Å; P194-P204 HydrophobicContact CB-CB 3.71Å; P194-P204 HydrophobicContact CB-CG 3.84Å; P194-P204 WeakPolarHBondContact O-CG 3.34Å; P194-Y206 HydrophobicContact CB-CE1 3.96Å; P194-Y206 HydrophobicContact CG-CE1 4.28Å; P194-V209 HydrophobicContact CB-CG2 4.42Å; P194-V209 HydrophobicContact CG-CG1 4.13Å; P194-V209 HydrophobicContact CG-CG2 4.38Å; P194-W216 HydrophobicContact CG-CB 3.78Å; P194-W216 HydrophobicContact CG-CG 3.92Å; P194-R217 WeakPolarHBondContact CG-O 3.36Å |
| 195 | F | 98 | Very high | 97.3 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.1 | -51.1 | 172.2 | 161.2 | -111 | 0 | 0 | 0 | 111.5 | S192 W193 E197 T198 Y199 R217 Y219 N220 | S192-F195 WeakPolarHBondContact O-CB 3.26Å; S192-F195 PolarHBondContact O-N 3.4Å; W193-F195 VanDerWaalsContact C-N 3.27Å; W193-F195 PolarHBondContact O-N 3.31Å; F195-E197 PolarHBondContact O-N 3.44Å; F195-T198 PolarHBondContact O-N 2.78Å; F195-Y199 HydrophobicContact CE2-CD2 4.44Å; F195-Y199 HydrophobicContact CZ-CD2 4.44Å; F195-Y199 VanDerWaalsContact O-CB 3.31Å; F195-Y199 WeakPolarHBondContact O-CB 3.34Å; F195-Y199 PolarHBondContact O-N 2.84Å; F195-R217 VanDerWaalsContact CB-O 3.3Å; F195-R217 WeakPolarHBondContact CB-O 3.41Å; F195-R217 PolarHBondContact N-O 2.89Å; F195-R217 VanDerWaalsContact N-O 3.08Å; F195-Y219 VanDerWaalsContact CD2-C 3.45Å; F195-Y219 WeakPolarHBondContact CD2-O 3.26Å; F195-N220 WeakPolarHBondContact CE2-OD1 3.17Å |
| 196 | Y | 98.4 | Very high | 97.3 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 11% | 0.106 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.2 | -34.6 | -176.3 | -73.7 | -80.8 | 0 | 0 | 0 | 113.4 | C132 D160 G161 C162 M169 S192 W193 K200 | C132-Y196 PolarHBondContact SG-OH 2.81Å; C132-Y196 VanDerWaalsContact SG-OH 3.33Å; D160-Y196 WeakPolarHBondContact OD1-CE2 3.25Å; D160-Y196 VanDerWaalsContact OD1-CZ 3.3Å; D160-Y196 PolarHBondContact OD1-OH 3.26Å; G161-Y196 WeakPolarHBondContact O-CD1 3.43Å; G161-Y196 WeakPolarHBondContact O-CE1 3.18Å; C162-Y196 PolarHBondContact N-OH 2.9Å; C162-Y196 PolarHBondContact SG-OH 3.45Å; M169-Y196 VanDerWaalsContact CE-CB 3.46Å; M169-Y196 HydrophobicContact CE-CD1 4.26Å; M169-Y196 HydrophobicContact CE-CD2 3.97Å; M169-Y196 HydrophobicContact CE-CG 3.65Å; M169-Y196 VanDerWaalsContact SD-CB 3.59Å; M169-Y196 HydrophobicContact SD-CG 4.3Å; S192-Y196 VanDerWaalsContact O-CD2 3.26Å; S192-Y196 WeakPolarHBondContact O-CD2 3.24Å; W193-Y196 PolarHBondContact O-N 2.93Å; W193-Y196 VanDerWaalsContact O-N 3.15Å; Y196-K200 WeakPolarHBondContact O-CG 3.48Å; Y196-K200 PolarHBondContact O-N 2.77Å |
| 197 | E | 97.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -50.1 | 171.2 | -77.5 | -173.4 | 161.6 | 0 | 0 | 110.6 | W193 F195 Y199 K200 G201 M202 P204 | W193-E197 PolarHBondContact NE1-OE1 3.22Å; W193-E197 PolarHBondContact NE1-OE2 3.46Å; W193-E197 PolarHBondContact O-N 2.91Å; F195-E197 PolarHBondContact O-N 3.44Å; E197-Y199 VanDerWaalsContact C-N 3.32Å; E197-Y199 PolarHBondContact O-N 2.88Å; E197-K200 CarbonylContact O-C 3.42Å; E197-K200 PolarHBondContact O-N 2.94Å; E197-G201 PolarHBondContact O-N 3.33Å; E197-M202 CarbonylContact C-O 3.49Å; E197-M202 HydrophobicContact CB-CB 4.04Å; E197-M202 HydrophobicContact CG-CE 4.2Å; E197-M202 WeakPolarHBondContact O-CB 3.36Å; E197-M202 PolarHBondContact O-N 3.49Å; E197-P204 HydrophobicContact CB-CG 4.12Å; E197-P204 VanDerWaalsContact OE2-CA 3.3Å; E197-P204 WeakPolarHBondContact OE2-CA 3.41Å; E197-P204 WeakPolarHBondContact OE2-CB 3.2Å |
| 198 | T | 95.7 | Very high | 97.1 | Very high | 47 Ų | 47 | 43 Ų | 43 | 29% | 0.288 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -43 | 178.5 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | P194 F195 K200 G201 M202 P204 | P194-T198 WeakPolarHBondContact O-CB 3.45Å; P194-T198 PolarHBondContact O-N 3.31Å; P194-T198 PolarHBondContact O-OG1 2.85Å; F195-T198 PolarHBondContact O-N 2.78Å; T198-K200 PolarHBondContact O-N 2.83Å; T198-G201 PolarHBondContact O-N 2.85Å; T198-M202 WeakPolarHBondContact CA-O 3.2Å; T198-M202 PolarHBondContact N-O 2.79Å; T198-P204 VanDerWaalsContact OG1-CG 3.22Å; T198-P204 WeakPolarHBondContact OG1-CG 3.34Å |
| 199 | Y | 95.3 | Very high | 97.1 | Very high | 156 Ų | 156 | 42.7 Ų | 42.7 | 61% | 0.612 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.1 | -29.7 | 177.1 | -178.1 | -99.6 | 0 | 0 | 0 | 112.6 | F195 E197 G201 | F195-Y199 HydrophobicContact CE2-CD2 4.44Å; F195-Y199 HydrophobicContact CZ-CD2 4.44Å; F195-Y199 VanDerWaalsContact O-CB 3.31Å; F195-Y199 WeakPolarHBondContact O-CB 3.34Å; F195-Y199 PolarHBondContact O-N 2.84Å; E197-Y199 VanDerWaalsContact C-N 3.32Å; E197-Y199 PolarHBondContact O-N 2.88Å; Y199-G201 VanDerWaalsContact C-N 3.32Å |
| 200 | K | 95.8 | Very high | 96.9 | Very high | 135 Ų | 135 | 42.9 Ų | 42.9 | 59% | 0.587 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 8.8 | 173.2 | -66.9 | -57.5 | -175.1 | -176.1 | 0 | 114 | V166 Y196 E197 T198 M202 | V166-K200 HydrophobicContact CB-CG 4.37Å; V166-K200 HydrophobicContact CG1-CB 4.4Å; V166-K200 HydrophobicContact CG1-CG 3.54Å; V166-K200 HydrophobicContact CG2-CB 4.18Å; V166-K200 HydrophobicContact CG2-CG 4.03Å; Y196-K200 WeakPolarHBondContact O-CG 3.48Å; Y196-K200 PolarHBondContact O-N 2.77Å; E197-K200 CarbonylContact O-C 3.42Å; E197-K200 PolarHBondContact O-N 2.94Å; T198-K200 PolarHBondContact O-N 2.83Å; K200-M202 VanDerWaalsContact C-N 3.27Å; K200-M202 PolarHBondContact O-N 3.13Å |
| 201 | G | 95.3 | Very high | 96.8 | Very high | 72 Ų | 72 | 48.2 Ų | 48.2 | 74% | 0.742 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 20.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E197 T198 Y199 | E197-G201 PolarHBondContact O-N 3.33Å; T198-G201 PolarHBondContact O-N 2.85Å; Y199-G201 VanDerWaalsContact C-N 3.32Å |
| 202 | M | 95.7 | Very high | 96.7 | Very high | 64 Ų | 64 | 49 Ų | 49 | 32% | 0.315 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 142 | 171.7 | -64.2 | 173.6 | 50.8 | 0 | 0 | 109.6 | V166 E197 T198 K200 P204 | V166-M202 HydrophobicContact CB-SD 4.48Å; V166-M202 HydrophobicContact CG2-SD 3.49Å; V166-M202 WeakPolarHBondContact CG2-SD 3.42Å; E197-M202 CarbonylContact C-O 3.49Å; E197-M202 HydrophobicContact CB-CB 4.04Å; E197-M202 HydrophobicContact CG-CE 4.2Å; E197-M202 WeakPolarHBondContact O-CB 3.36Å; E197-M202 PolarHBondContact O-N 3.49Å; T198-M202 WeakPolarHBondContact CA-O 3.2Å; T198-M202 PolarHBondContact N-O 2.79Å; K200-M202 VanDerWaalsContact C-N 3.27Å; K200-M202 PolarHBondContact O-N 3.13Å; M202-P204 WeakPolarHBondContact O-CD 3.41Å |
| 203 | E | 94.4 | Very high | 96.7 | Very high | 122 Ų | 122 | 49 Ų | 49 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 117.2 | 174.2 | -173.4 | 66.8 | -156.4 | 0 | 0 | 109.7 | K242 | E203-K242 WeakPolarHBondContact OE1-CD 3.36Å; E203-K242 WeakPolarHBondContact OE1-CE 3.45Å; E203-K242 IonicContact OE1-NZ 3.13Å; E203-K242 PolarHBondContact OE1-NZ 2.93Å; E203-K242 IonicContact OE2-NZ 2.72Å; E203-K242 PolarHBondContact OE2-NZ 3.5Å |
| 204 | P | 96.3 | Very high | 96.7 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 143.2 | -178 | -17.9 | 31.6 | 0 | 0 | 0 | 113 | P194 E197 T198 M202 Y206 | P194-P204 HydrophobicContact CB-CB 3.71Å; P194-P204 HydrophobicContact CB-CG 3.84Å; P194-P204 WeakPolarHBondContact O-CG 3.34Å; E197-P204 HydrophobicContact CB-CG 4.12Å; E197-P204 VanDerWaalsContact OE2-CA 3.3Å; E197-P204 WeakPolarHBondContact OE2-CA 3.41Å; E197-P204 WeakPolarHBondContact OE2-CB 3.2Å; T198-P204 VanDerWaalsContact OG1-CG 3.22Å; T198-P204 WeakPolarHBondContact OG1-CG 3.34Å; M202-P204 WeakPolarHBondContact O-CD 3.41Å; P204-Y206 HydrophobicContact CB-CD2 4.43Å; P204-Y206 HydrophobicContact CB-CE2 4.21Å; P204-Y206 HydrophobicContact CG-CE2 4.31Å; P204-Y206 PolarHBondContact O-N 2.02Å; P204-Y206 VanDerWaalsContact O-N 3.1Å |
| 205 | N | 96.8 | Very high | 96.8 | Very high | 95 Ų | 95 | 48.7 Ų | 48.7 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | trans | -82.9 | 84.3 | 167.9 | -174.1 | -17.6 | 0 | 0 | 0 | 110.2 | T207 A208 V209 | N205-T207 PolarHBondContact O-N 2.85Å; N205-T207 VanDerWaalsContact O-N 3.15Å; N205-T207 WeakPolarHBondContact OD1-CB 3.4Å; N205-T207 PolarHBondContact OD1-N 3.4Å; N205-A208 HydrophobicContact CB-CB 4.06Å; N205-A208 WeakPolarHBondContact O-CB 3.1Å; N205-A208 PolarHBondContact O-N 3.11Å; N205-A208 PolarHBondContact OD1-N 2.72Å; N205-A208 VanDerWaalsContact OD1-N 3.15Å; N205-V209 PolarHBondContact O-N 3.16Å | ||
| 206 | Y | 97.2 | Very high | 96.8 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 5% | 0.051 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.6 | -29.3 | -179.6 | -80.3 | -70.8 | 0 | 0 | 0 | 114.3 | P194 P204 V209 A210 W216 S218 K242 V246 | P194-Y206 HydrophobicContact CB-CE1 3.96Å; P194-Y206 HydrophobicContact CG-CE1 4.28Å; P204-Y206 HydrophobicContact CB-CD2 4.43Å; P204-Y206 HydrophobicContact CB-CE2 4.21Å; P204-Y206 HydrophobicContact CG-CE2 4.31Å; P204-Y206 PolarHBondContact O-N 2.02Å; P204-Y206 VanDerWaalsContact O-N 3.1Å; Y206-V209 PolarHBondContact O-N 3.27Å; Y206-A210 VanDerWaalsContact O-CB 3.26Å; Y206-A210 WeakPolarHBondContact O-CB 3.42Å; Y206-A210 PolarHBondContact O-N 2.94Å; Y206-W216 AromaticContact CD1-NE1 3.59Å; Y206-W216 AromaticContact CE1-CD1 3.89Å; Y206-W216 AromaticContact CE1-NE1 3.56Å; Y206-S218 WeakPolarHBondContact CE1-OG 3.35Å; Y206-S218 PolarHBondContact OH-OG 3Å; Y206-K242 HydrophobicContact CD2-CB 4.27Å; Y206-K242 HydrophobicContact CE2-CB 4.26Å; Y206-V246 HydrophobicContact CG-CG2 4.49Å |
| 207 | T | 96.6 | Very high | 96.8 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 45% | 0.454 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 174 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | N205 K211 | N205-T207 PolarHBondContact O-N 2.85Å; N205-T207 VanDerWaalsContact O-N 3.15Å; N205-T207 WeakPolarHBondContact OD1-CB 3.4Å; N205-T207 PolarHBondContact OD1-N 3.4Å; T207-K211 HydrophobicContact CG2-CD 4.5Å; T207-K211 WeakPolarHBondContact O-CG 3.4Å; T207-K211 PolarHBondContact O-N 3.15Å |
| 208 | A | 96.7 | Very high | 96.7 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 24% | 0.24 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.5 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W193 N205 K211 S212 | W193-A208 HydrophobicContact CH2-CB 4.14Å; N205-A208 HydrophobicContact CB-CB 4.06Å; N205-A208 WeakPolarHBondContact O-CB 3.1Å; N205-A208 PolarHBondContact O-N 3.11Å; N205-A208 PolarHBondContact OD1-N 2.72Å; N205-A208 VanDerWaalsContact OD1-N 3.15Å; A208-K211 PolarHBondContact O-N 2.94Å; A208-S212 WeakPolarHBondContact O-CB 3.42Å; A208-S212 PolarHBondContact O-N 3.38Å; A208-S212 PolarHBondContact O-OG 2.69Å |
| 209 | V | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -51.2 | 175 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | W193 P194 N205 Y206 K211 S212 C213 W216 | W193-V209 HydrophobicContact CD2-CG2 3.93Å; W193-V209 HydrophobicContact CE3-CB 4.45Å; W193-V209 HydrophobicContact CE3-CG2 3.77Å; W193-V209 HydrophobicContact CH2-CG2 4.3Å; W193-V209 HydrophobicContact CZ2-CG2 4.43Å; W193-V209 HydrophobicContact CZ3-CG2 3.98Å; P194-V209 HydrophobicContact CB-CG2 4.42Å; P194-V209 HydrophobicContact CG-CG1 4.13Å; P194-V209 HydrophobicContact CG-CG2 4.38Å; N205-V209 PolarHBondContact O-N 3.16Å; Y206-V209 PolarHBondContact O-N 3.27Å; V209-K211 PolarHBondContact O-N 3.24Å; V209-S212 PolarHBondContact O-N 3.15Å; V209-C213 HydrophobicContact CG1-CB 4.47Å; V209-C213 WeakPolarHBondContact O-CB 3.46Å; V209-C213 PolarHBondContact O-N 2.88Å; V209-W216 HydrophobicContact CG1-CB 3.54Å; V209-W216 HydrophobicContact CG1-CD2 3.62Å; V209-W216 HydrophobicContact CG1-CE3 3.87Å; V209-W216 HydrophobicContact CG1-CG 3.46Å; V209-W216 VanDerWaalsContact CG1-CG 3.46Å |
| 210 | A | 96.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -31.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y206 S212 W216 V246 Q251 | Y206-A210 VanDerWaalsContact O-CB 3.26Å; Y206-A210 WeakPolarHBondContact O-CB 3.42Å; Y206-A210 PolarHBondContact O-N 2.94Å; A210-S212 VanDerWaalsContact C-N 3.27Å; A210-S212 PolarHBondContact O-N 3.05Å; A210-W216 HydrophobicContact CB-CH2 3.58Å; A210-W216 HydrophobicContact CB-CZ2 4.4Å; A210-W216 HydrophobicContact CB-CZ3 3.74Å; A210-V246 HydrophobicContact CB-CB 4.08Å; A210-Q251 HydrophobicContact CB-CB 4.34Å; A210-Q251 HydrophobicContact CB-CG 4.42Å; A210-Q251 VanDerWaalsContact O-CD 3.31Å; A210-Q251 WeakPolarHBondContact O-CG 3.43Å; A210-Q251 PolarHBondContact O-NE2 3.23Å |
| 211 | K | 96.2 | Very high | 96.9 | Very high | 116 Ų | 116 | 37.9 Ų | 37.9 | 50% | 0.504 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.2 | 172.5 | -77.3 | 175.7 | 177.7 | 179.8 | 0 | 114.4 | P21 L22 T207 A208 V209 | P21-K211 CarbonylContact C-O 3.5Å; P21-K211 WeakPolarHBondContact CA-O 3.36Å; P21-K211 HydrophobicContact CB-CB 4.07Å; P21-K211 HydrophobicContact CB-CG 4.28Å; P21-K211 WeakPolarHBondContact CB-O 3.16Å; L22-K211 PolarHBondContact N-O 3.08Å; T207-K211 HydrophobicContact CG2-CD 4.5Å; T207-K211 WeakPolarHBondContact O-CG 3.4Å; T207-K211 PolarHBondContact O-N 3.15Å; A208-K211 PolarHBondContact O-N 2.94Å; V209-K211 PolarHBondContact O-N 3.24Å |
| 212 | S | 97 | Very high | 97 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | -16.3 | -170.4 | -53.7 | 0 | 0 | 0 | 0 | 113.4 | L22 Y189 A208 V209 A210 | L22-S212 WeakPolarHBondContact CD2-O 3.3Å; Y189-S212 VanDerWaalsContact CD1-O 3.26Å; Y189-S212 WeakPolarHBondContact CD1-O 3.47Å; Y189-S212 WeakPolarHBondContact CE1-O 3.46Å; A208-S212 WeakPolarHBondContact O-CB 3.42Å; A208-S212 PolarHBondContact O-N 3.38Å; A208-S212 PolarHBondContact O-OG 2.69Å; V209-S212 PolarHBondContact O-N 3.15Å; A210-S212 VanDerWaalsContact C-N 3.27Å; A210-S212 PolarHBondContact O-N 3.05Å |
| 213 | C | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | trans | -139.6 | 143.1 | -166.4 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | C191 V209 L215 W216 | C191-C213 HydrophobicContact CB-CB 3.74Å; C191-C213 WeakPolarHBondContact CB-SG 3.28Å; C191-C213 WeakPolarHBondContact SG-CB 3.47Å; C191-C213 CovalentContact SG-SG 2.02Å; C191-C213 PolarHBondContact SG-SG 3.02Å; V209-C213 HydrophobicContact CG1-CB 4.47Å; V209-C213 WeakPolarHBondContact O-CB 3.46Å; V209-C213 PolarHBondContact O-N 2.88Å; C213-L215 VanDerWaalsContact C-N 3.33Å; C213-W216 HydrophobicContact CB-CE3 4.42Å | ||
| 214 | N | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -74.6 | -29.3 | 173.4 | -70.2 | 120.3 | 0 | 0 | 0 | 112.5 | N24 V188 Y189 G250 Q251 W252 | N24-N214 PolarHBondContact ND2-OD1 2.64Å; N24-N214 PolarHBondContact OD1-ND2 3.29Å; V188-N214 WeakPolarHBondContact CA-OD1 2.99Å; V188-N214 HydrophobicContact CG1-CB 3.99Å; Y189-N214 PolarHBondContact N-OD1 3.17Å; Y189-N214 PolarHBondContact O-N 3.29Å; N214-G250 WeakPolarHBondContact CA-O 3.26Å; N214-G250 PolarHBondContact ND2-O 2.81Å; N214-G250 CarbonylContact O-C 3.58Å; N214-Q251 CarbonylContact O-C 3.6Å; N214-Q251 WeakPolarHBondContact O-CA 3.5Å; N214-W252 PolarHBondContact O-N 2.72Å |
| 215 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 157.2 | 175.8 | 61.5 | 167.5 | 0 | 0 | 0 | 110 | P31 M156 V188 Y189 S190 C191 C213 W252 P283 | P31-L215 HydrophobicContact CG-CD1 4.27Å; P31-L215 HydrophobicContact CG-CD2 4.39Å; M156-L215 HydrophobicContact CE-CD1 4.04Å; M156-L215 HydrophobicContact CE-CD2 4.17Å; V188-L215 HydrophobicContact CG1-CD2 3.64Å; Y189-L215 PolarHBondContact O-N 3Å; S190-L215 WeakPolarHBondContact CA-O 3.46Å; C191-L215 PolarHBondContact N-O 2.98Å; C213-L215 VanDerWaalsContact C-N 3.33Å; L215-W252 CarbonylContact C-O 3.5Å; L215-W252 WeakPolarHBondContact CA-O 3.24Å; L215-W252 HydrophobicContact CB-CB 4.08Å; L215-W252 WeakPolarHBondContact CB-O 3.31Å; L215-P283 HydrophobicContact CB-CG 4.42Å; L215-P283 HydrophobicContact CD1-CB 4.21Å; L215-P283 HydrophobicContact CD1-CG 3.58Å |
| 216 | W | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 134.9 | -179 | 56.9 | 84.9 | 0 | 0 | 0 | 114.2 | C191 P194 Y206 V209 A210 C213 S218 V246 V247 Q251 W252 N253 D254 | C191-W216 HydrophobicContact CB-CB 4.4Å; C191-W216 CarbonylContact O-C 3.26Å; C191-W216 WeakPolarHBondContact O-CA 3.48Å; C191-W216 WeakPolarHBondContact O-CB 3.44Å; P194-W216 HydrophobicContact CG-CB 3.78Å; P194-W216 HydrophobicContact CG-CG 3.92Å; Y206-W216 AromaticContact CD1-NE1 3.59Å; Y206-W216 AromaticContact CE1-CD1 3.89Å; Y206-W216 AromaticContact CE1-NE1 3.56Å; V209-W216 HydrophobicContact CG1-CB 3.54Å; V209-W216 HydrophobicContact CG1-CD2 3.62Å; V209-W216 HydrophobicContact CG1-CE3 3.87Å; V209-W216 HydrophobicContact CG1-CG 3.46Å; V209-W216 VanDerWaalsContact CG1-CG 3.46Å; A210-W216 HydrophobicContact CB-CH2 3.58Å; A210-W216 HydrophobicContact CB-CZ2 4.4Å; A210-W216 HydrophobicContact CB-CZ3 3.74Å; C213-W216 HydrophobicContact CB-CE3 4.42Å; W216-S218 VanDerWaalsContact CD1-OG 3.26Å; W216-S218 PolarHBondContact O-N 3.14Å; W216-V246 HydrophobicContact CH2-CG2 4.29Å; W216-V246 HydrophobicContact CZ2-CG2 3.78Å; W216-V247 HydrophobicContact CZ2-CG2 4.22Å; W216-Q251 HydrophobicContact CH2-CB 3.93Å; W216-Q251 HydrophobicContact CZ3-CB 3.86Å; W216-W252 PolarHBondContact N-O 2.78Å; W216-N253 HydrophobicContact CZ2-CB 4.5Å; W216-D254 WeakPolarHBondContact O-CA 3.08Å; W216-D254 VanDerWaalsContact O-CB 3.28Å; W216-D254 WeakPolarHBondContact O-CB 3.07Å; W216-D254 PolarHBondContact O-N 3.27Å |
| 217 | R | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 119.6 | 172.6 | -78.6 | -73.6 | -52.7 | -69.6 | -20.2 | 109.6 | C191 P194 F195 Y219 N220 D221 D254 D256 | C191-R217 PolarHBondContact O-N 3.25Å; P194-R217 WeakPolarHBondContact CG-O 3.36Å; F195-R217 VanDerWaalsContact CB-O 3.3Å; F195-R217 WeakPolarHBondContact CB-O 3.41Å; F195-R217 PolarHBondContact N-O 2.89Å; F195-R217 VanDerWaalsContact N-O 3.08Å; R217-Y219 PolarHBondContact NH2-O 2.91Å; R217-N220 PolarHBondContact NH2-O 3.33Å; R217-D221 IonicContact CZ-OD1 2.62Å; R217-D221 VanDerWaalsContact CZ-OD1 3.29Å; R217-D221 IonicContact NH1-OD1 3.03Å; R217-D221 PolarHBondContact NH1-OD1 2.9Å; R217-D221 VanDerWaalsContact NH2-CA 3.34Å; R217-D221 VanDerWaalsContact NH2-N 3.18Å; R217-D221 IonicContact NH2-OD1 2.71Å; R217-D221 PolarHBondContact NH2-OD1 3.46Å; R217-D254 VanDerWaalsContact CD-CG 3.45Å; R217-D254 VanDerWaalsContact CD-OD2 3.32Å; R217-D254 WeakPolarHBondContact CD-OD2 3.5Å; R217-D254 HydrophobicContact CG-CB 4.26Å; R217-D256 IonicContact CZ-OD1 3.32Å; R217-D256 IonicContact CZ-OD2 3.68Å; R217-D256 IonicContact NE-OD1 3.95Å; R217-D256 IonicContact NE-OD2 2.92Å; R217-D256 IonicContact NH1-OD1 3.02Å; R217-D256 PolarHBondContact NH1-OD1 3.22Å; R217-D256 IonicContact NH1-OD2 3.29Å; R217-D256 PolarHBondContact NH1-OD2 2.62Å; R217-D256 IonicContact NH2-OD2 2.72Å |
| 218 | S | 94.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | trans | -102.8 | -18.1 | -176.6 | -65.8 | 0 | 0 | 0 | 0 | 115.1 | Y206 W216 N253 | Y206-S218 WeakPolarHBondContact CE1-OG 3.35Å; Y206-S218 PolarHBondContact OH-OG 3Å; W216-S218 VanDerWaalsContact CD1-OG 3.26Å; W216-S218 PolarHBondContact O-N 3.14Å; S218-N253 WeakPolarHBondContact CB-OD1 3.43Å; S218-N253 PolarHBondContact OG-OD1 3.26Å | ||
| 219 | Y | 97.1 | Very high | 97.5 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 18% | 0.18 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -137.3 | 179.3 | -174 | -165.2 | -125.1 | 0 | 0 | 0 | 112 | F195 R217 I232 W235 | F195-Y219 VanDerWaalsContact CD2-C 3.45Å; F195-Y219 WeakPolarHBondContact CD2-O 3.26Å; R217-Y219 PolarHBondContact NH2-O 2.91Å; Y219-I232 HydrophobicContact CD1-CG1 4.02Å; Y219-W235 HydrophobicContact CD1-CB 3.77Å; Y219-W235 HydrophobicContact CD1-CD2 4.44Å; Y219-W235 AromaticContact CD1-CG 3.91Å; Y219-W235 HydrophobicContact CD1-CG 3.91Å; Y219-W235 HydrophobicContact CD2-CB 4.12Å; Y219-W235 AromaticContact CD2-CD1 3.12Å; Y219-W235 AromaticContact CD2-CD2 3.82Å; Y219-W235 HydrophobicContact CD2-CD2 3.82Å; Y219-W235 AromaticContact CD2-CE2 3.83Å; Y219-W235 AromaticContact CD2-CG 3.42Å; Y219-W235 HydrophobicContact CD2-CG 3.42Å; Y219-W235 VanDerWaalsContact CD2-CG 3.42Å; Y219-W235 AromaticContact CD2-NE1 3.35Å; Y219-W235 VanDerWaalsContact CD2-NE1 3.35Å; Y219-W235 HydrophobicContact CE1-CB 3.82Å; Y219-W235 HydrophobicContact CE1-CG 4.19Å; Y219-W235 HydrophobicContact CE2-CB 4.19Å; Y219-W235 AromaticContact CE2-CD1 3.23Å; Y219-W235 AromaticContact CE2-CG 3.76Å; Y219-W235 HydrophobicContact CE2-CG 3.76Å; Y219-W235 AromaticContact CE2-NE1 3.81Å; Y219-W235 HydrophobicContact CG-CB 3.9Å; Y219-W235 AromaticContact CG-CD1 3.74Å; Y219-W235 AromaticContact CG-CD2 3.73Å; Y219-W235 HydrophobicContact CG-CD2 3.73Å; Y219-W235 HydrophobicContact CG-CE3 4.32Å; Y219-W235 AromaticContact CG-CG 3.5Å; Y219-W235 HydrophobicContact CG-CG 3.5Å; Y219-W235 VanDerWaalsContact CG-CG 3.5Å; Y219-W235 AromaticContact CZ-CD1 3.9Å |
| 220 | N | 96.4 | Very high | 97.5 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 35% | 0.348 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -50.2 | 153.8 | 179.7 | -67.2 | -18.4 | 0 | 0 | 0 | 112.4 | F195 R217 | F195-N220 WeakPolarHBondContact CE2-OD1 3.17Å; R217-N220 PolarHBondContact NH2-O 3.33Å |
| 221 | D | 97.4 | Very high | 97.6 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 34% | 0.337 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 142.3 | 170.7 | -78.5 | 3.9 | 0 | 0 | 0 | 110.9 | W37 R217 D256 | W37-D221 PolarHBondContact NE1-OD2 3.04Å; R217-D221 IonicContact CZ-OD1 2.62Å; R217-D221 VanDerWaalsContact CZ-OD1 3.29Å; R217-D221 IonicContact NH1-OD1 3.03Å; R217-D221 PolarHBondContact NH1-OD1 2.9Å; R217-D221 VanDerWaalsContact NH2-CA 3.34Å; R217-D221 VanDerWaalsContact NH2-N 3.18Å; R217-D221 IonicContact NH2-OD1 2.71Å; R217-D221 PolarHBondContact NH2-OD1 3.46Å; D221-D256 WeakPolarHBondContact CA-OD2 3.29Å |
| 222 | I | 98.3 | Very high | 97.8 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 126.9 | 169.7 | -161.6 | 168.1 | 0 | 0 | 0 | 109.5 | A38 V229 I232 D256 M257 I259 W277 | A38-I222 HydrophobicContact CB-CG2 4.32Å; I222-V229 HydrophobicContact CD1-CG2 4.08Å; I222-I232 HydrophobicContact CB-CD1 3.71Å; I222-I232 HydrophobicContact CD1-CD1 3.83Å; I222-I232 HydrophobicContact CG1-CD1 3.63Å; I222-D256 HydrophobicContact CB-CB 4.05Å; I222-D256 HydrophobicContact CG2-CB 4Å; I222-D256 WeakPolarHBondContact CG2-OD2 3.36Å; I222-D256 PolarHBondContact N-OD2 3.03Å; I222-M257 WeakPolarHBondContact CD1-O 3.44Å; I222-M257 HydrophobicContact CG2-CB 4.16Å; I222-M257 HydrophobicContact CG2-CE 4.12Å; I222-I259 HydrophobicContact CD1-CD1 4.44Å; I222-I259 HydrophobicContact CD1-CG1 4.22Å; I222-I259 HydrophobicContact CD1-CG2 4.12Å; I222-I259 HydrophobicContact CG1-CG2 4.31Å; I222-I259 HydrophobicContact CG2-CG2 4Å; I222-W277 HydrophobicContact CD1-CH2 4.46Å; I222-W277 HydrophobicContact CD1-CZ2 4.23Å |
| 223 | D | 97 | Very high | 97.8 | Very high | 106 Ų | 106 | 29.3 Ų | 29.3 | 57% | 0.567 | 15% | 0.152 | S | C | * | . | P | Polyproline II helix | trans | -91.7 | 160.7 | 167.7 | -62.9 | -49.5 | 0 | 0 | 0 | 109.4 | S225 S228 | D223-S225 PolarHBondContact O-N 3.3Å; D223-S228 PolarHBondContact N-OG 2.85Å |
| 224 | L | 97.1 | Very high | 97.8 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -72.7 | 57.7 | 175.1 | -54.7 | -174.8 | 0 | 0 | 0 | 112.3 | A38 I259 T262 L264 | A38-L224 HydrophobicContact CB-CD2 3.93Å; A38-L224 WeakPolarHBondContact O-CD1 3.3Å; A38-L224 WeakPolarHBondContact O-CD2 3.31Å; A38-L224 WeakPolarHBondContact O-CG 3.5Å; L224-I259 HydrophobicContact CD2-CB 3.94Å; L224-I259 HydrophobicContact CD2-CG2 3.59Å; L224-T262 HydrophobicContact CD1-CG2 4.3Å; L224-T262 HydrophobicContact CD2-CG2 3.75Å; L224-L264 HydrophobicContact CB-CD1 3.74Å; L224-L264 VanDerWaalsContact O-CB 3.27Å; L224-L264 WeakPolarHBondContact O-CB 3.19Å; L224-L264 WeakPolarHBondContact O-CD1 3.48Å |
| 225 | S | 97.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 29% | 0.287 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -148.3 | 149.9 | -179.2 | 73.7 | 0 | 0 | 0 | 0 | 113.1 | D223 Q227 S228 V229 | D223-S225 PolarHBondContact O-N 3.3Å; S225-Q227 PolarHBondContact O-N 3.05Å; S225-S228 PolarHBondContact O-N 3.12Å; S225-S228 WeakPolarHBondContact OG-CB 3.26Å; S225-S228 PolarHBondContact OG-N 2.93Å; S225-V229 PolarHBondContact O-N 3.06Å |
| 226 | W | 97.9 | Very high | 97.8 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -34.3 | 173.2 | 177.9 | -125.3 | 0 | 0 | 0 | 113 | S228 V229 L230 L265 Q269 V272 F350 T403 | W226-S228 VanDerWaalsContact C-N 3.32Å; W226-S228 PolarHBondContact O-N 3Å; W226-V229 HydrophobicContact CE3-CB 3.88Å; W226-V229 HydrophobicContact CE3-CG1 3.93Å; W226-V229 HydrophobicContact CE3-CG2 4.42Å; W226-V229 HydrophobicContact CZ3-CB 4.09Å; W226-V229 HydrophobicContact CZ3-CG1 3.6Å; W226-V229 PolarHBondContact O-N 2.67Å; W226-L230 HydrophobicContact CD2-CD1 4.45Å; W226-L230 HydrophobicContact CD2-CG 4.14Å; W226-L230 HydrophobicContact CH2-CD2 4.09Å; W226-L230 HydrophobicContact CH2-CG 4.4Å; W226-L230 HydrophobicContact CZ2-CD1 4.23Å; W226-L230 HydrophobicContact CZ2-CD2 3.57Å; W226-L230 HydrophobicContact CZ2-CG 3.8Å; W226-L230 PolarHBondContact O-N 2.71Å; W226-L265 HydrophobicContact CB-CD2 4.04Å; W226-L265 HydrophobicContact CE3-CD2 4.33Å; W226-Q269 HydrophobicContact CD2-CB 4.18Å; W226-Q269 HydrophobicContact CD2-CG 3.59Å; W226-Q269 HydrophobicContact CE3-CB 3.64Å; W226-Q269 HydrophobicContact CE3-CG 3.57Å; W226-Q269 HydrophobicContact CG-CG 4.12Å; W226-Q269 HydrophobicContact CH2-CB 4.46Å; W226-Q269 HydrophobicContact CH2-CG 4.16Å; W226-Q269 HydrophobicContact CZ2-CG 4.18Å; W226-Q269 HydrophobicContact CZ3-CB 3.79Å; W226-Q269 HydrophobicContact CZ3-CG 3.87Å; W226-V272 HydrophobicContact CH2-CB 3.99Å; W226-V272 HydrophobicContact CH2-CG1 3.89Å; W226-V272 HydrophobicContact CH2-CG2 4.12Å; W226-V272 HydrophobicContact CZ3-CB 4.21Å; W226-V272 HydrophobicContact CZ3-CG1 4.34Å; W226-F350 AromaticContact CH2-CE2 3.93Å; W226-F350 HydrophobicContact CH2-CE2 3.93Å; W226-F350 AromaticContact CH2-CZ 3.75Å; W226-F350 HydrophobicContact CH2-CZ 3.75Å; W226-F350 HydrophobicContact CZ2-CE2 4.07Å; W226-F350 AromaticContact CZ2-CZ 3.83Å; W226-F350 HydrophobicContact CZ2-CZ 3.83Å; W226-T403 HydrophobicContact CZ2-CG2 4.23Å |
| 227 | Q | 97.9 | Very high | 97.7 | Very high | 131 Ų | 131 | 33 Ų | 33 | 61% | 0.612 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -65.1 | -37.1 | 178.7 | -172.2 | 58.8 | 44.3 | 0 | 0 | 112.1 | S225 L230 S231 | S225-Q227 PolarHBondContact O-N 3.05Å; Q227-L230 PolarHBondContact O-N 3.19Å; Q227-S231 WeakPolarHBondContact O-CB 3.37Å; Q227-S231 PolarHBondContact O-N 2.95Å |
| 228 | S | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -46.6 | 175.5 | -172.9 | 0 | 0 | 0 | 0 | 111 | D223 S225 W226 L230 S231 I232 | D223-S228 PolarHBondContact N-OG 2.85Å; S225-S228 PolarHBondContact O-N 3.12Å; S225-S228 WeakPolarHBondContact OG-CB 3.26Å; S225-S228 PolarHBondContact OG-N 2.93Å; W226-S228 VanDerWaalsContact C-N 3.32Å; W226-S228 PolarHBondContact O-N 3Å; S228-L230 VanDerWaalsContact C-N 3.32Å; S228-L230 PolarHBondContact O-N 3.27Å; S228-S231 PolarHBondContact O-N 2.94Å; S228-S231 PolarHBondContact O-OG 3.39Å; S228-I232 PolarHBondContact O-N 3.34Å |
| 229 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.1 | -48.4 | 173 | 178 | 0 | 0 | 0 | 0 | 111.2 | I222 S225 W226 S231 I232 I233 I259 L265 Q273 W277 | I222-V229 HydrophobicContact CD1-CG2 4.08Å; S225-V229 PolarHBondContact O-N 3.06Å; W226-V229 HydrophobicContact CE3-CB 3.88Å; W226-V229 HydrophobicContact CE3-CG1 3.93Å; W226-V229 HydrophobicContact CE3-CG2 4.42Å; W226-V229 HydrophobicContact CZ3-CB 4.09Å; W226-V229 HydrophobicContact CZ3-CG1 3.6Å; W226-V229 PolarHBondContact O-N 2.67Å; V229-S231 PolarHBondContact O-N 2.76Å; V229-I232 PolarHBondContact O-N 2.91Å; V229-I233 HydrophobicContact CG1-CD1 3.87Å; V229-I233 WeakPolarHBondContact O-CD1 3.31Å; V229-I233 VanDerWaalsContact O-CG1 3.28Å; V229-I233 WeakPolarHBondContact O-CG1 3.42Å; V229-I233 PolarHBondContact O-N 3.16Å; V229-I259 HydrophobicContact CG2-CD1 3.91Å; V229-I259 HydrophobicContact CG2-CG1 4.31Å; V229-L265 HydrophobicContact CG2-CD1 4.47Å; V229-L265 HydrophobicContact CG2-CD2 4.45Å; V229-Q273 HydrophobicContact CG1-CB 4.41Å; V229-Q273 HydrophobicContact CG1-CG 4.42Å; V229-W277 HydrophobicContact CG1-CH2 4.43Å; V229-W277 HydrophobicContact CG1-CZ3 4.26Å |
| 230 | L | 98.2 | Very high | 97.8 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.6 | -78.3 | 178.8 | 0 | 0 | 0 | 113.1 | W226 Q227 S228 I232 I233 D234 F350 | W226-L230 HydrophobicContact CD2-CD1 4.45Å; W226-L230 HydrophobicContact CD2-CG 4.14Å; W226-L230 HydrophobicContact CH2-CD2 4.09Å; W226-L230 HydrophobicContact CH2-CG 4.4Å; W226-L230 HydrophobicContact CZ2-CD1 4.23Å; W226-L230 HydrophobicContact CZ2-CD2 3.57Å; W226-L230 HydrophobicContact CZ2-CG 3.8Å; W226-L230 PolarHBondContact O-N 2.71Å; Q227-L230 PolarHBondContact O-N 3.19Å; S228-L230 VanDerWaalsContact C-N 3.32Å; S228-L230 PolarHBondContact O-N 3.27Å; L230-I232 VanDerWaalsContact C-N 3.3Å; L230-I232 PolarHBondContact O-N 3.24Å; L230-I233 HydrophobicContact CD2-CD1 4.31Å; L230-I233 WeakPolarHBondContact O-CB 3.3Å; L230-I233 PolarHBondContact O-N 3.43Å; L230-D234 PolarHBondContact O-N 3.05Å; L230-F350 HydrophobicContact CD2-CE1 4.21Å; L230-F350 HydrophobicContact CD2-CZ 3.8Å |
| 231 | S | 98.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -36.1 | -179.6 | 76.8 | 0 | 0 | 0 | 0 | 112.6 | Q227 S228 V229 D234 W235 | Q227-S231 WeakPolarHBondContact O-CB 3.37Å; Q227-S231 PolarHBondContact O-N 2.95Å; S228-S231 PolarHBondContact O-N 2.94Å; S228-S231 PolarHBondContact O-OG 3.39Å; V229-S231 PolarHBondContact O-N 2.76Å; S231-D234 PolarHBondContact O-N 3.35Å; S231-W235 PolarHBondContact O-N 3.28Å |
| 232 | I | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -45.4 | 173.9 | -69.4 | 160.9 | 0 | 0 | 0 | 109.6 | Y219 I222 S228 V229 L230 D234 W235 M236 P255 W277 | Y219-I232 HydrophobicContact CD1-CG1 4.02Å; I222-I232 HydrophobicContact CB-CD1 3.71Å; I222-I232 HydrophobicContact CD1-CD1 3.83Å; I222-I232 HydrophobicContact CG1-CD1 3.63Å; S228-I232 PolarHBondContact O-N 3.34Å; V229-I232 PolarHBondContact O-N 2.91Å; L230-I232 VanDerWaalsContact C-N 3.3Å; L230-I232 PolarHBondContact O-N 3.24Å; I232-D234 VanDerWaalsContact C-N 3.31Å; I232-D234 PolarHBondContact O-N 3.15Å; I232-W235 PolarHBondContact O-N 3.29Å; I232-W235 VanDerWaalsContact O-N 3.1Å; I232-M236 HydrophobicContact CG2-CG 4.34Å; I232-M236 WeakPolarHBondContact O-CG 3.38Å; I232-M236 PolarHBondContact O-N 3.04Å; I232-P255 HydrophobicContact CG2-CB 3.67Å; I232-W277 HydrophobicContact CB-CH2 4.18Å; I232-W277 HydrophobicContact CD1-CH2 4.38Å; I232-W277 HydrophobicContact CD1-CZ2 4.44Å; I232-W277 HydrophobicContact CG2-CH2 3.65Å; I232-W277 HydrophobicContact CG2-CZ2 4Å |
| 233 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56 | -47 | 174.6 | -64.4 | 159.4 | 0 | 0 | 0 | 110.7 | V229 L230 W235 M236 D237 V272 L276 W277 W280 Y330 F350 | V229-I233 HydrophobicContact CG1-CD1 3.87Å; V229-I233 WeakPolarHBondContact O-CD1 3.31Å; V229-I233 VanDerWaalsContact O-CG1 3.28Å; V229-I233 WeakPolarHBondContact O-CG1 3.42Å; V229-I233 PolarHBondContact O-N 3.16Å; L230-I233 HydrophobicContact CD2-CD1 4.31Å; L230-I233 WeakPolarHBondContact O-CB 3.3Å; L230-I233 PolarHBondContact O-N 3.43Å; I233-W235 VanDerWaalsContact C-N 3.28Å; I233-W235 PolarHBondContact O-N 3.33Å; I233-M236 PolarHBondContact O-N 3.48Å; I233-D237 WeakPolarHBondContact O-CB 3.11Å; I233-D237 PolarHBondContact O-N 3.46Å; I233-V272 HydrophobicContact CD1-CG1 4.27Å; I233-L276 HydrophobicContact CD1-CD1 3.57Å; I233-L276 HydrophobicContact CG1-CD1 3.7Å; I233-L276 HydrophobicContact CG2-CD1 4.1Å; I233-W277 HydrophobicContact CG1-CZ3 4.48Å; I233-W280 HydrophobicContact CB-CH2 4.15Å; I233-W280 HydrophobicContact CG1-CH2 3.71Å; I233-W280 HydrophobicContact CG2-CH2 4.34Å; I233-W280 HydrophobicContact CG2-CZ2 4.42Å; I233-Y330 WeakPolarHBondContact CG2-OH 3.21Å; I233-F350 HydrophobicContact CD1-CE1 3.93Å; I233-F350 HydrophobicContact CD1-CZ 4.28Å; I233-F350 HydrophobicContact CG2-CE1 4.3Å |
| 234 | D | 98.3 | Very high | 97.7 | Very high | 50 Ų | 50 | 40.8 Ų | 40.8 | 27% | 0.267 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.9 | -32.5 | 178.3 | -76.8 | -35.1 | 0 | 0 | 0 | 113.3 | L230 S231 I232 R238 R352 | L230-D234 PolarHBondContact O-N 3.05Å; S231-D234 PolarHBondContact O-N 3.35Å; I232-D234 VanDerWaalsContact C-N 3.31Å; I232-D234 PolarHBondContact O-N 3.15Å; D234-R238 WeakPolarHBondContact O-CB 3.44Å; D234-R238 VanDerWaalsContact O-CG 3.27Å; D234-R238 WeakPolarHBondContact O-CG 3.36Å; D234-R238 PolarHBondContact O-N 3.36Å; D234-R238 PolarHBondContact O-NE 3.45Å; D234-R352 IonicContact OD1-CZ 2.66Å; D234-R352 IonicContact OD1-NH1 3.09Å; D234-R352 PolarHBondContact OD1-NH1 2.83Å; D234-R352 IonicContact OD1-NH2 3.35Å; D234-R352 PolarHBondContact OD1-NH2 3.15Å; D234-R352 IonicContact OD2-NH2 2.68Å; D234-R352 PolarHBondContact OD2-NH2 3.06Å |
| 235 | W | 98 | Very high | 97.7 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.8 | -43.4 | 175 | -173.6 | 92.8 | 0 | 0 | 0 | 111.6 | Y219 S231 I232 I233 R238 N239 I243 | Y219-W235 HydrophobicContact CD1-CB 3.77Å; Y219-W235 HydrophobicContact CD1-CD2 4.44Å; Y219-W235 AromaticContact CD1-CG 3.91Å; Y219-W235 HydrophobicContact CD1-CG 3.91Å; Y219-W235 HydrophobicContact CD2-CB 4.12Å; Y219-W235 AromaticContact CD2-CD1 3.12Å; Y219-W235 AromaticContact CD2-CD2 3.82Å; Y219-W235 HydrophobicContact CD2-CD2 3.82Å; Y219-W235 AromaticContact CD2-CE2 3.83Å; Y219-W235 AromaticContact CD2-CG 3.42Å; Y219-W235 HydrophobicContact CD2-CG 3.42Å; Y219-W235 VanDerWaalsContact CD2-CG 3.42Å; Y219-W235 AromaticContact CD2-NE1 3.35Å; Y219-W235 VanDerWaalsContact CD2-NE1 3.35Å; Y219-W235 HydrophobicContact CE1-CB 3.82Å; Y219-W235 HydrophobicContact CE1-CG 4.19Å; Y219-W235 HydrophobicContact CE2-CB 4.19Å; Y219-W235 AromaticContact CE2-CD1 3.23Å; Y219-W235 AromaticContact CE2-CG 3.76Å; Y219-W235 HydrophobicContact CE2-CG 3.76Å; Y219-W235 AromaticContact CE2-NE1 3.81Å; Y219-W235 HydrophobicContact CG-CB 3.9Å; Y219-W235 AromaticContact CG-CD1 3.74Å; Y219-W235 AromaticContact CG-CD2 3.73Å; Y219-W235 HydrophobicContact CG-CD2 3.73Å; Y219-W235 HydrophobicContact CG-CE3 4.32Å; Y219-W235 AromaticContact CG-CG 3.5Å; Y219-W235 HydrophobicContact CG-CG 3.5Å; Y219-W235 VanDerWaalsContact CG-CG 3.5Å; Y219-W235 AromaticContact CZ-CD1 3.9Å; S231-W235 PolarHBondContact O-N 3.28Å; I232-W235 PolarHBondContact O-N 3.29Å; I232-W235 VanDerWaalsContact O-N 3.1Å; I233-W235 VanDerWaalsContact C-N 3.28Å; I233-W235 PolarHBondContact O-N 3.33Å; W235-R238 PolarHBondContact O-N 2.87Å; W235-N239 HydrophobicContact CD2-CB 4.45Å; W235-N239 VanDerWaalsContact CE2-ND2 3.32Å; W235-N239 HydrophobicContact CH2-CB 4.05Å; W235-N239 HydrophobicContact CZ2-CB 4.02Å; W235-N239 HydrophobicContact CZ3-CB 4.35Å; W235-N239 PolarHBondContact NE1-ND2 3.06Å; W235-N239 WeakPolarHBondContact O-CB 3.23Å; W235-N239 PolarHBondContact O-N 3.35Å; W235-N239 PolarHBondContact O-ND2 3.33Å; W235-I243 HydrophobicContact CE3-CD1 4.42Å; W235-I243 HydrophobicContact CH2-CD1 3.44Å; W235-I243 VanDerWaalsContact CH2-CD1 3.44Å; W235-I243 HydrophobicContact CH2-CG1 4.33Å; W235-I243 HydrophobicContact CZ3-CD1 3.33Å |
| 236 | M | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 175.6 | -71 | -64.6 | -76.8 | 0 | 0 | 111.1 | I232 I233 R238 N239 Q240 I243 N253 P255 W280 M317 | I232-M236 HydrophobicContact CG2-CG 4.34Å; I232-M236 WeakPolarHBondContact O-CG 3.38Å; I232-M236 PolarHBondContact O-N 3.04Å; I233-M236 PolarHBondContact O-N 3.48Å; M236-R238 VanDerWaalsContact C-N 3.33Å; M236-R238 PolarHBondContact O-N 2.83Å; M236-N239 PolarHBondContact O-N 3.37Å; M236-Q240 WeakPolarHBondContact O-CA 3.24Å; M236-Q240 WeakPolarHBondContact O-CB 3.47Å; M236-Q240 PolarHBondContact O-N 2.82Å; M236-I243 HydrophobicContact SD-CD1 4.23Å; M236-N253 WeakPolarHBondContact CE-ND2 3.27Å; M236-N253 PolarHBondContact SD-ND2 3.12Å; M236-N253 VanDerWaalsContact SD-ND2 3.36Å; M236-P255 HydrophobicContact CG-CB 4.4Å; M236-P255 HydrophobicContact SD-CB 4.24Å; M236-W280 HydrophobicContact CB-CD2 4.46Å; M236-W280 HydrophobicContact CB-CH2 3.9Å; M236-W280 HydrophobicContact CB-CZ2 3.67Å; M236-W280 HydrophobicContact CB-CZ3 4.4Å; M236-W280 HydrophobicContact CE-CB 3.92Å; M236-W280 HydrophobicContact CE-CD2 3.64Å; M236-W280 HydrophobicContact CE-CE3 3.86Å; M236-W280 HydrophobicContact CE-CG 3.67Å; M236-W280 HydrophobicContact CG-CD2 4.36Å; M236-W280 HydrophobicContact CG-CE3 4.17Å; M236-W280 HydrophobicContact CG-CH2 3.91Å; M236-W280 HydrophobicContact CG-CZ2 4.13Å; M236-W280 HydrophobicContact CG-CZ3 3.94Å; M236-M317 HydrophobicContact CE-CE 3.49Å; M236-M317 VanDerWaalsContact CE-CE 3.49Å |
| 237 | D | 97.9 | Very high | 97.6 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -43.9 | 178 | -78.3 | -6.7 | 0 | 0 | 0 | 112.5 | I233 Q240 L320 Y330 | I233-D237 WeakPolarHBondContact O-CB 3.11Å; I233-D237 PolarHBondContact O-N 3.46Å; D237-Q240 WeakPolarHBondContact O-CG 3.42Å; D237-Q240 PolarHBondContact O-NE2 2.92Å; D237-L320 HydrophobicContact CB-CD2 4.16Å; D237-Y330 WeakPolarHBondContact OD1-CE1 3.42Å; D237-Y330 PolarHBondContact OD1-OH 2.84Å; D237-Y330 VanDerWaalsContact OD1-OH 3.12Å; D237-Y330 PolarHBondContact OD2-OH 3.43Å |
| 238 | R | 97.5 | Very high | 97.6 | Very high | 152 Ų | 152 | 35 Ų | 35 | 57% | 0.574 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -72.7 | -34.3 | -178.9 | -74.7 | -179.3 | -65.6 | 149.6 | -2.6 | 112.9 | D234 W235 M236 H241 | D234-R238 WeakPolarHBondContact O-CB 3.44Å; D234-R238 VanDerWaalsContact O-CG 3.27Å; D234-R238 WeakPolarHBondContact O-CG 3.36Å; D234-R238 PolarHBondContact O-N 3.36Å; D234-R238 PolarHBondContact O-NE 3.45Å; W235-R238 PolarHBondContact O-N 2.87Å; M236-R238 VanDerWaalsContact C-N 3.33Å; M236-R238 PolarHBondContact O-N 2.83Å; R238-H241 PolarHBondContact O-CE1 2.76Å; R238-H241 VanDerWaalsContact O-CE1 3.25Å; R238-H241 PolarHBondContact O-ND1 3.01Å |
| 239 | N | 97.1 | Very high | 97.5 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -105.2 | 1.9 | -172 | -64.7 | -78.5 | 0 | 0 | 0 | 114.1 | W235 M236 H241 K242 I243 | W235-N239 HydrophobicContact CD2-CB 4.45Å; W235-N239 VanDerWaalsContact CE2-ND2 3.32Å; W235-N239 HydrophobicContact CH2-CB 4.05Å; W235-N239 HydrophobicContact CZ2-CB 4.02Å; W235-N239 HydrophobicContact CZ3-CB 4.35Å; W235-N239 PolarHBondContact NE1-ND2 3.06Å; W235-N239 WeakPolarHBondContact O-CB 3.23Å; W235-N239 PolarHBondContact O-N 3.35Å; W235-N239 PolarHBondContact O-ND2 3.33Å; M236-N239 PolarHBondContact O-N 3.37Å; N239-H241 PolarHBondContact O-N 2.67Å; N239-K242 WeakPolarHBondContact O-CB 3.5Å; N239-K242 PolarHBondContact O-N 3.02Å; N239-I243 HydrophobicContact CB-CD1 4.06Å; N239-I243 PolarHBondContact O-N 2.76Å |
| 240 | Q | 97.5 | Very high | 97.5 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 16% | 0.159 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -51.1 | -33.8 | -178.7 | 64.1 | -176.6 | -50.7 | 0 | 0 | 114.1 | M236 D237 K242 I243 F244 R319 L320 | M236-Q240 WeakPolarHBondContact O-CA 3.24Å; M236-Q240 WeakPolarHBondContact O-CB 3.47Å; M236-Q240 PolarHBondContact O-N 2.82Å; D237-Q240 WeakPolarHBondContact O-CG 3.42Å; D237-Q240 PolarHBondContact O-NE2 2.92Å; Q240-K242 VanDerWaalsContact C-N 3.25Å; Q240-K242 PolarHBondContact O-N 2.97Å; Q240-I243 PolarHBondContact O-N 3.17Å; Q240-F244 WeakPolarHBondContact O-CB 3.42Å; Q240-F244 PolarHBondContact O-N 2.92Å; Q240-R319 VanDerWaalsContact OE1-CB 3.23Å; Q240-L320 VanDerWaalsContact OE1-N 3.14Å; Q240-L320 PolarHBondContact OE1-O 2.86Å |
| 241 | H | 96.7 | Very high | 97.5 | Very high | 127 Ų | 127 | 40.4 Ų | 40.4 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -67.1 | -24.6 | 179.4 | 64.3 | -81.5 | 0 | 0 | 0 | 113.5 | R238 N239 P245 | R238-H241 PolarHBondContact O-CE1 2.76Å; R238-H241 VanDerWaalsContact O-CE1 3.25Å; R238-H241 PolarHBondContact O-ND1 3.01Å; N239-H241 PolarHBondContact O-N 2.67Å; H241-P245 WeakPolarHBondContact O-CD 3.32Å |
| 242 | K | 95.9 | Very high | 97.5 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -84.6 | -34.6 | 177.3 | -56.6 | 177.3 | 172.2 | -172.8 | 0 | 112 | E203 Y206 N239 Q240 | E203-K242 WeakPolarHBondContact OE1-CD 3.36Å; E203-K242 WeakPolarHBondContact OE1-CE 3.45Å; E203-K242 IonicContact OE1-NZ 3.13Å; E203-K242 PolarHBondContact OE1-NZ 2.93Å; E203-K242 IonicContact OE2-NZ 2.72Å; E203-K242 PolarHBondContact OE2-NZ 3.5Å; Y206-K242 HydrophobicContact CD2-CB 4.27Å; Y206-K242 HydrophobicContact CE2-CB 4.26Å; N239-K242 WeakPolarHBondContact O-CB 3.5Å; N239-K242 PolarHBondContact O-N 3.02Å; Q240-K242 VanDerWaalsContact C-N 3.25Å; Q240-K242 PolarHBondContact O-N 2.97Å |
| 243 | I | 96.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -92.8 | -45.5 | -169.6 | -57.4 | 164.9 | 0 | 0 | 0 | 111.3 | W235 M236 N239 Q240 P245 V246 V247 N253 M317 | W235-I243 HydrophobicContact CE3-CD1 4.42Å; W235-I243 HydrophobicContact CH2-CD1 3.44Å; W235-I243 VanDerWaalsContact CH2-CD1 3.44Å; W235-I243 HydrophobicContact CH2-CG1 4.33Å; W235-I243 HydrophobicContact CZ3-CD1 3.33Å; M236-I243 HydrophobicContact SD-CD1 4.23Å; N239-I243 HydrophobicContact CB-CD1 4.06Å; N239-I243 PolarHBondContact O-N 2.76Å; Q240-I243 PolarHBondContact O-N 3.17Å; I243-P245 VanDerWaalsContact C-N 3.29Å; I243-P245 VanDerWaalsContact O-N 3.13Å; I243-V246 WeakPolarHBondContact O-CG2 3.43Å; I243-V246 PolarHBondContact O-N 2.72Å; I243-V247 HydrophobicContact CG2-CG2 3.67Å; I243-V247 PolarHBondContact O-N 3.23Å; I243-N253 HydrophobicContact CG2-CB 3.38Å; I243-M317 HydrophobicContact CB-SD 4.44Å; I243-M317 HydrophobicContact CG2-CE 4.44Å; I243-M317 HydrophobicContact CG2-SD 3.86Å |
| 244 | F | 96.7 | Very high | 97.5 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 26% | 0.259 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -49.1 | -41.1 | -176.6 | 172.5 | -92.3 | 0 | 0 | 0 | 114.1 | Q240 V246 I316 M317 R319 | Q240-F244 WeakPolarHBondContact O-CB 3.42Å; Q240-F244 PolarHBondContact O-N 2.92Å; F244-V246 VanDerWaalsContact C-N 3.25Å; F244-V246 PolarHBondContact O-N 2.62Å; F244-I316 HydrophobicContact CE2-CG2 4.07Å; F244-I316 HydrophobicContact CZ-CG2 4.44Å; F244-M317 HydrophobicContact CB-SD 4.4Å; F244-M317 HydrophobicContact CD2-CB 4.12Å; F244-M317 HydrophobicContact CD2-CG 4.37Å; F244-M317 VanDerWaalsContact CD2-O 3.27Å; F244-M317 WeakPolarHBondContact CD2-O 3.25Å; F244-M317 WeakPolarHBondContact CE2-O 3.43Å; F244-R319 HydrophobicContact CB-CG 4.4Å; F244-R319 HydrophobicContact CD2-CG 3.52Å; F244-R319 HydrophobicContact CE2-CG 4.02Å; F244-R319 HydrophobicContact CG-CG 4.11Å |
| 245 | P | 96.7 | Very high | 97.5 | Very high | 93 Ų | 93 | 37.3 Ų | 37.3 | 60% | 0.604 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -69.9 | -16.3 | -177.8 | -20.2 | 34 | 0 | 0 | 0 | 115.3 | H241 I243 | H241-P245 WeakPolarHBondContact O-CD 3.32Å; I243-P245 VanDerWaalsContact C-N 3.29Å; I243-P245 VanDerWaalsContact O-N 3.13Å |
| 246 | V | 96.5 | Very high | 97.5 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 12% | 0.115 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -112.6 | -5.8 | -174.4 | -60 | 0 | 0 | 0 | 0 | 113.6 | Y206 A210 W216 I243 F244 | Y206-V246 HydrophobicContact CG-CG2 4.49Å; A210-V246 HydrophobicContact CB-CB 4.08Å; W216-V246 HydrophobicContact CH2-CG2 4.29Å; W216-V246 HydrophobicContact CZ2-CG2 3.78Å; I243-V246 WeakPolarHBondContact O-CG2 3.43Å; I243-V246 PolarHBondContact O-N 2.72Å; F244-V246 VanDerWaalsContact C-N 3.25Å; F244-V246 PolarHBondContact O-N 2.62Å |
| 247 | V | 97.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | trans | -83.6 | 134.8 | 176 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | W216 I243 Q251 W252 N253 M317 | W216-V247 HydrophobicContact CZ2-CG2 4.22Å; I243-V247 HydrophobicContact CG2-CG2 3.67Å; I243-V247 PolarHBondContact O-N 3.23Å; V247-Q251 CarbonylContact C-O 3.19Å; V247-Q251 VanDerWaalsContact CA-O 3.31Å; V247-Q251 WeakPolarHBondContact CA-O 3.46Å; V247-W252 HydrophobicContact CG1-CE3 3.63Å; V247-W252 HydrophobicContact CG1-CZ3 3.99Å; V247-N253 HydrophobicContact CG2-CB 3.79Å; V247-M317 HydrophobicContact CB-CB 4.05Å; V247-M317 HydrophobicContact CB-SD 4.47Å; V247-M317 HydrophobicContact CG1-CB 3.88Å; V247-M317 HydrophobicContact CG2-SD 4.12Å | ||
| 248 | G | 97.4 | Very high | 97.6 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 11% | 0.113 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | 179.9 | -176.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G250 Q251 W252 G315 | G248-G250 PolarHBondContact O-N 2.04Å; G248-G250 VanDerWaalsContact O-N 3.15Å; G248-Q251 PolarHBondContact N-O 3.26Å; G248-Q251 CarbonylContact O-C 3.49Å; G248-Q251 WeakPolarHBondContact O-CA 3.33Å; G248-Q251 PolarHBondContact O-N 2.92Å; G248-W252 WeakPolarHBondContact O-CH2 3.32Å; G248-W252 WeakPolarHBondContact O-CZ2 3.27Å; G248-G315 WeakPolarHBondContact CA-O 3.27Å |
| 249 | P | 97.8 | Very high | 97.6 | Very high | 68 Ų | 68 | 28.9 Ų | 28.9 | 44% | 0.442 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 121.6 | 176.9 | -29.7 | 37.7 | 0 | 0 | 0 | 112.6 | L28 Q251 | L28-P249 HydrophobicContact CD2-CB 4.43Å; L28-P249 WeakPolarHBondContact O-CA 3.28Å; L28-P249 WeakPolarHBondContact O-CB 3.49Å; P249-Q251 VanDerWaalsContact C-N 3.35Å |
| 250 | G | 97.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 27.8 Ų | 27.8 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -0.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L26 S27 N214 G248 | L26-G250 WeakPolarHBondContact O-CA 3.3Å; S27-G250 WeakPolarHBondContact O-CA 3.16Å; S27-G250 PolarHBondContact O-N 3.33Å; N214-G250 WeakPolarHBondContact CA-O 3.26Å; N214-G250 PolarHBondContact ND2-O 2.81Å; N214-G250 CarbonylContact O-C 3.58Å; G248-G250 PolarHBondContact O-N 2.04Å; G248-G250 VanDerWaalsContact O-N 3.15Å |
| 251 | Q | 97.6 | Very high | 97.7 | Very high | 66 Ų | 66 | 27.1 Ų | 27.1 | 31% | 0.308 | 15% | 0.153 | S | C | . | . | B | Isolated β-bridge | trans | -145.8 | 94.7 | -169.4 | -60 | 177.2 | 9.2 | 0 | 0 | 111.2 | A210 N214 W216 V247 G248 P249 | A210-Q251 HydrophobicContact CB-CB 4.34Å; A210-Q251 HydrophobicContact CB-CG 4.42Å; A210-Q251 VanDerWaalsContact O-CD 3.31Å; A210-Q251 WeakPolarHBondContact O-CG 3.43Å; A210-Q251 PolarHBondContact O-NE2 3.23Å; N214-Q251 CarbonylContact O-C 3.6Å; N214-Q251 WeakPolarHBondContact O-CA 3.5Å; W216-Q251 HydrophobicContact CH2-CB 3.93Å; W216-Q251 HydrophobicContact CZ3-CB 3.86Å; V247-Q251 CarbonylContact C-O 3.19Å; V247-Q251 VanDerWaalsContact CA-O 3.31Å; V247-Q251 WeakPolarHBondContact CA-O 3.46Å; G248-Q251 PolarHBondContact N-O 3.26Å; G248-Q251 CarbonylContact O-C 3.49Å; G248-Q251 WeakPolarHBondContact O-CA 3.33Å; G248-Q251 PolarHBondContact O-N 2.92Å; P249-Q251 VanDerWaalsContact C-N 3.35Å |
| 252 | W | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.2 | -171.5 | -48.8 | 102.1 | 0 | 0 | 0 | 114.1 | S27 L28 T29 P30 N214 L215 W216 V247 G248 A281 | S27-W252 PolarHBondContact O-NE1 3.06Å; L28-W252 WeakPolarHBondContact O-CZ2 3.26Å; T29-W252 VanDerWaalsContact C-CZ2 3.44Å; T29-W252 VanDerWaalsContact CA-CZ2 3.48Å; T29-W252 PolarHBondContact O-NE1 3.17Å; P30-W252 HydrophobicContact CB-CD2 4.28Å; P30-W252 HydrophobicContact CB-CG 4.49Å; P30-W252 HydrophobicContact CG-CD2 3.87Å; P30-W252 HydrophobicContact CG-CE3 3.78Å; P30-W252 HydrophobicContact CG-CH2 4.11Å; P30-W252 HydrophobicContact CG-CZ2 4.17Å; P30-W252 HydrophobicContact CG-CZ3 3.91Å; N214-W252 PolarHBondContact O-N 2.72Å; L215-W252 CarbonylContact C-O 3.5Å; L215-W252 WeakPolarHBondContact CA-O 3.24Å; L215-W252 HydrophobicContact CB-CB 4.08Å; L215-W252 WeakPolarHBondContact CB-O 3.31Å; W216-W252 PolarHBondContact N-O 2.78Å; V247-W252 HydrophobicContact CG1-CE3 3.63Å; V247-W252 HydrophobicContact CG1-CZ3 3.99Å; G248-W252 WeakPolarHBondContact O-CH2 3.32Å; G248-W252 WeakPolarHBondContact O-CZ2 3.27Å; W252-A281 HydrophobicContact CE3-CB 4.1Å; W252-A281 VanDerWaalsContact CE3-O 3.25Å; W252-A281 HydrophobicContact CZ3-CB 3.81Å |
| 253 | N | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 131.2 | 164.6 | -179.7 | 87.1 | 0 | 0 | 0 | 110 | W216 S218 M236 I243 V247 P255 S282 P283 | W216-N253 HydrophobicContact CZ2-CB 4.5Å; S218-N253 WeakPolarHBondContact CB-OD1 3.43Å; S218-N253 PolarHBondContact OG-OD1 3.26Å; M236-N253 WeakPolarHBondContact CE-ND2 3.27Å; M236-N253 PolarHBondContact SD-ND2 3.12Å; M236-N253 VanDerWaalsContact SD-ND2 3.36Å; I243-N253 HydrophobicContact CG2-CB 3.38Å; V247-N253 HydrophobicContact CG2-CB 3.79Å; N253-P255 WeakPolarHBondContact O-CD 3.32Å; N253-S282 PolarHBondContact O-OG 3.2Å; N253-P283 WeakPolarHBondContact O-CD 3.49Å |
| 254 | D | 98.8 | Very high | 97.1 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 6% | 0.059 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 104.6 | 179.4 | -174.3 | 3.5 | 0 | 0 | 0 | 110.4 | W216 R217 D256 P283 | W216-D254 WeakPolarHBondContact O-CA 3.08Å; W216-D254 VanDerWaalsContact O-CB 3.28Å; W216-D254 WeakPolarHBondContact O-CB 3.07Å; W216-D254 PolarHBondContact O-N 3.27Å; R217-D254 VanDerWaalsContact CD-CG 3.45Å; R217-D254 VanDerWaalsContact CD-OD2 3.32Å; R217-D254 WeakPolarHBondContact CD-OD2 3.5Å; R217-D254 HydrophobicContact CG-CB 4.26Å; D254-D256 PolarHBondContact O-N 2.82Å; D254-D256 VanDerWaalsContact OD1-CA 3.27Å; D254-D256 WeakPolarHBondContact OD1-CA 3.37Å; D254-D256 PolarHBondContact OD1-N 3.29Å; D254-P283 HydrophobicContact CB-CG 4.19Å |
| 255 | P | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | trans | -81.6 | 16.2 | 171.4 | 33.8 | -32 | 0 | 0 | 0 | 113 | I232 M236 N253 W277 W280 S282 | I232-P255 HydrophobicContact CG2-CB 3.67Å; M236-P255 HydrophobicContact CG-CB 4.4Å; M236-P255 HydrophobicContact SD-CB 4.24Å; N253-P255 WeakPolarHBondContact O-CD 3.32Å; P255-W277 HydrophobicContact CB-CZ2 4Å; P255-W277 HydrophobicContact CG-CD2 4.16Å; P255-W277 HydrophobicContact CG-CG 4.26Å; P255-W277 HydrophobicContact CG-CZ2 4.13Å; P255-W277 WeakPolarHBondContact O-CZ2 3.39Å; P255-W280 HydrophobicContact CG-CE3 4.34Å; P255-S282 VanDerWaalsContact CD-CB 3.45Å; P255-S282 WeakPolarHBondContact CD-OG 3.49Å; P255-S282 VanDerWaalsContact CG-OG 3.28Å; P255-S282 WeakPolarHBondContact CG-OG 3.45Å | ||
| 256 | D | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | trans | 80.1 | 179 | -180 | -148.4 | 9.2 | 0 | 0 | 0 | 115.2 | R217 D221 I222 D254 W277 | R217-D256 IonicContact CZ-OD1 3.32Å; R217-D256 IonicContact CZ-OD2 3.68Å; R217-D256 IonicContact NE-OD1 3.95Å; R217-D256 IonicContact NE-OD2 2.92Å; R217-D256 IonicContact NH1-OD1 3.02Å; R217-D256 PolarHBondContact NH1-OD1 3.22Å; R217-D256 IonicContact NH1-OD2 3.29Å; R217-D256 PolarHBondContact NH1-OD2 2.62Å; R217-D256 IonicContact NH2-OD2 2.72Å; D221-D256 WeakPolarHBondContact CA-OD2 3.29Å; I222-D256 HydrophobicContact CB-CB 4.05Å; I222-D256 HydrophobicContact CG2-CB 4Å; I222-D256 WeakPolarHBondContact CG2-OD2 3.36Å; I222-D256 PolarHBondContact N-OD2 3.03Å; D254-D256 PolarHBondContact O-N 2.82Å; D254-D256 VanDerWaalsContact OD1-CA 3.27Å; D254-D256 WeakPolarHBondContact OD1-CA 3.37Å; D254-D256 PolarHBondContact OD1-N 3.29Å; D256-W277 PolarHBondContact O-NE1 2.95Å | ||
| 257 | M | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | -60.2 | 154 | -168.9 | -63.1 | 160 | -80.3 | 0 | 0 | 115.5 | L35 W37 A38 I222 Q273 I285 S287 | L35-M257 HydrophobicContact CB-CG 4.3Å; L35-M257 HydrophobicContact CB-SD 4.11Å; L35-M257 HydrophobicContact CD2-CG 3.89Å; L35-M257 HydrophobicContact CD2-SD 3.66Å; L35-M257 HydrophobicContact CG-SD 3.98Å; W37-M257 HydrophobicContact CB-CE 3.88Å; W37-M257 HydrophobicContact CB-SD 3.93Å; W37-M257 HydrophobicContact CG-CE 4.27Å; A38-M257 HydrophobicContact CB-CE 3.61Å; A38-M257 HydrophobicContact CB-SD 3.91Å; I222-M257 WeakPolarHBondContact CD1-O 3.44Å; I222-M257 HydrophobicContact CG2-CB 4.16Å; I222-M257 HydrophobicContact CG2-CE 4.12Å; M257-Q273 PolarHBondContact O-NE2 3.43Å; M257-I285 CarbonylContact C-O 3.49Å; M257-I285 VanDerWaalsContact CA-O 3.29Å; M257-I285 WeakPolarHBondContact CA-O 3.36Å; M257-I285 WeakPolarHBondContact CB-O 3.37Å; M257-I285 HydrophobicContact CG-CG2 4.34Å; M257-S287 WeakPolarHBondContact SD-CB 3.45Å | ||
| 258 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -77.3 | 121.8 | 164.1 | -60.2 | 174.9 | 0 | 0 | 0 | 110.1 | I260 Q273 M274 W277 L284 I285 S287 L301 | L258-I260 HydrophobicContact CB-CD1 4.44Å; L258-I260 HydrophobicContact CD2-CD1 4.34Å; L258-Q273 HydrophobicContact CD2-CG 3.91Å; L258-M274 HydrophobicContact CD1-SD 4.03Å; L258-W277 HydrophobicContact CD2-CB 4.04Å; L258-W277 HydrophobicContact CD2-CD2 4.23Å; L258-W277 HydrophobicContact CD2-CG 3.71Å; L258-L284 HydrophobicContact CD1-CB 3.94Å; L258-L284 HydrophobicContact CD1-CD2 4.01Å; L258-I285 PolarHBondContact N-O 3.26Å; L258-S287 PolarHBondContact O-N 2.97Å; L258-L301 HydrophobicContact CD1-CD2 3.95Å |
| 259 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -100.9 | 13.8 | 178.8 | 61.9 | 160.3 | 0 | 0 | 0 | 112 | A38 I222 L224 V229 T262 L265 | A38-I259 HydrophobicContact CB-CG2 4.17Å; I222-I259 HydrophobicContact CD1-CD1 4.44Å; I222-I259 HydrophobicContact CD1-CG1 4.22Å; I222-I259 HydrophobicContact CD1-CG2 4.12Å; I222-I259 HydrophobicContact CG1-CG2 4.31Å; I222-I259 HydrophobicContact CG2-CG2 4Å; L224-I259 HydrophobicContact CD2-CB 3.94Å; L224-I259 HydrophobicContact CD2-CG2 3.59Å; V229-I259 HydrophobicContact CG2-CD1 3.91Å; V229-I259 HydrophobicContact CG2-CG1 4.31Å; I259-T262 HydrophobicContact CB-CG2 4.3Å; I259-T262 WeakPolarHBondContact O-CB 3.49Å; I259-T262 WeakPolarHBondContact O-CG2 3.37Å; I259-T262 PolarHBondContact O-N 3.18Å; I259-T262 VanDerWaalsContact O-N 3.17Å; I259-T262 PolarHBondContact O-OG1 3.47Å; I259-L265 HydrophobicContact CD1-CD1 3.79Å; I259-L265 HydrophobicContact CD1-CD2 4.08Å; I259-L265 HydrophobicContact CD1-CG 3.91Å; I259-L265 HydrophobicContact CG1-CD1 3.65Å; I259-L265 HydrophobicContact CG1-CG 4.25Å | ||
| 260 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 135.6 | 175 | -61.3 | 164.5 | 0 | 0 | 0 | 109.2 | L258 A270 Q273 M274 N288 N297 I300 L301 | L258-I260 HydrophobicContact CB-CD1 4.44Å; L258-I260 HydrophobicContact CD2-CD1 4.34Å; I260-A270 HydrophobicContact CB-CB 4.48Å; I260-A270 WeakPolarHBondContact CD1-O 3.45Å; I260-A270 HydrophobicContact CG1-CB 4.09Å; I260-A270 HydrophobicContact CG2-CB 4.02Å; I260-Q273 HydrophobicContact CG1-CB 4.43Å; I260-M274 HydrophobicContact CD1-CB 3.73Å; I260-M274 HydrophobicContact CD1-CG 4.44Å; I260-M274 HydrophobicContact CD1-SD 4.16Å; I260-N288 WeakPolarHBondContact O-CB 3.38Å; I260-N288 PolarHBondContact O-ND2 3.39Å; I260-N297 HydrophobicContact CG2-CB 3.99Å; I260-I300 HydrophobicContact CD1-CG2 4.12Å; I260-I300 HydrophobicContact CG2-CG2 4.46Å; I260-L301 HydrophobicContact CB-CD1 4.3Å; I260-L301 HydrophobicContact CB-CD2 4.06Å; I260-L301 HydrophobicContact CB-CG 4.19Å; I260-L301 HydrophobicContact CD1-CD2 3.85Å; I260-L301 HydrophobicContact CD1-CG 4.47Å; I260-L301 HydrophobicContact CG2-CD1 3.98Å; I260-L301 HydrophobicContact CG2-CD2 4.23Å; I260-L301 HydrophobicContact CG2-CG 3.83Å |
| 261 | G | 97.2 | Very high | 97.5 | Very high | 19 Ų | 19 | 29.6 Ų | 29.6 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -11.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 262 | T | 93.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -72.4 | 149.6 | 165.6 | 68 | 0 | 0 | 0 | 0 | 109.8 | L224 I259 L264 | L224-T262 HydrophobicContact CD1-CG2 4.3Å; L224-T262 HydrophobicContact CD2-CG2 3.75Å; I259-T262 HydrophobicContact CB-CG2 4.3Å; I259-T262 WeakPolarHBondContact O-CB 3.49Å; I259-T262 WeakPolarHBondContact O-CG2 3.37Å; I259-T262 PolarHBondContact O-N 3.18Å; I259-T262 VanDerWaalsContact O-N 3.17Å; I259-T262 PolarHBondContact O-OG1 3.47Å; T262-L264 PolarHBondContact O-N 3.25Å |
| 263 | P | 88.8 | Confident | 97.6 | Very high | 129 Ų | 129 | 26.5 Ų | 26.5 | 84% | 0.838 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 0.8 | -179.7 | 29.9 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 264 | L | 94.1 | Very high | 97.6 | Very high | 104 Ų | 104 | 26.4 Ų | 26.4 | 55% | 0.545 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -1.8 | -170.5 | -61.5 | 175.4 | 0 | 0 | 0 | 113.7 | L224 T262 | L224-L264 HydrophobicContact CB-CD1 3.74Å; L224-L264 VanDerWaalsContact O-CB 3.27Å; L224-L264 WeakPolarHBondContact O-CB 3.19Å; L224-L264 WeakPolarHBondContact O-CD1 3.48Å; T262-L264 PolarHBondContact O-N 3.25Å |
| 265 | L | 97.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -114.1 | 140.7 | 169.2 | -65.1 | -168.8 | 0 | 0 | 0 | 110.9 | W226 V229 I259 Q269 | W226-L265 HydrophobicContact CB-CD2 4.04Å; W226-L265 HydrophobicContact CE3-CD2 4.33Å; V229-L265 HydrophobicContact CG2-CD1 4.47Å; V229-L265 HydrophobicContact CG2-CD2 4.45Å; I259-L265 HydrophobicContact CD1-CD1 3.79Å; I259-L265 HydrophobicContact CD1-CD2 4.08Å; I259-L265 HydrophobicContact CD1-CG 3.91Å; I259-L265 HydrophobicContact CG1-CD1 3.65Å; I259-L265 HydrophobicContact CG1-CG 4.25Å; L265-Q269 HydrophobicContact CB-CB 4.26Å; L265-Q269 HydrophobicContact CD2-CB 4.31Å |
| 266 | T | 97.8 | Very high | 97.6 | Very high | 68 Ų | 68 | 25.6 Ų | 25.6 | 42% | 0.417 | 15% | 0.147 | S | C | . | . | trans | -71 | 163.7 | 165.4 | 72.4 | 0 | 0 | 0 | 0 | 110.5 | D268 Q269 A270 | T266-D268 VanDerWaalsContact C-N 3.27Å; T266-D268 PolarHBondContact O-N 3.46Å; T266-Q269 VanDerWaalsContact N-OE1 3.09Å; T266-Q269 PolarHBondContact O-N 3Å; T266-Q269 VanDerWaalsContact OG1-CG 3.26Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.44Å; T266-Q269 PolarHBondContact OG1-N 3.5Å; T266-A270 WeakPolarHBondContact O-CB 3.19Å; T266-A270 PolarHBondContact O-N 3.31Å | ||
| 267 | I | 98.2 | Very high | 97.6 | Very high | 68 Ų | 68 | 25.5 Ų | 25.5 | 35% | 0.349 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.7 | -36.9 | 176 | -64.8 | -56.5 | 0 | 0 | 0 | 112 | A270 K271 A296 I300 | I267-A270 PolarHBondContact O-N 3.05Å; I267-K271 WeakPolarHBondContact O-CG 3.44Å; I267-K271 PolarHBondContact O-N 3.19Å; I267-A296 HydrophobicContact CD1-CB 3.64Å; I267-A296 HydrophobicContact CG1-CB 4.34Å; I267-I300 HydrophobicContact CG2-CD1 4.17Å |
| 268 | D | 98.5 | Very high | 97.6 | Very high | 41 Ų | 41 | 25.4 Ų | 25.4 | 22% | 0.219 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 176.7 | -81 | -39.3 | 0 | 0 | 0 | 111.4 | T266 K271 V272 N401 T403 | T266-D268 VanDerWaalsContact C-N 3.27Å; T266-D268 PolarHBondContact O-N 3.46Å; D268-K271 WeakPolarHBondContact O-CB 3.43Å; D268-K271 PolarHBondContact O-N 2.94Å; D268-V272 WeakPolarHBondContact O-CG2 3.44Å; D268-V272 PolarHBondContact O-N 3.03Å; D268-N401 PolarHBondContact OD2-ND2 2.9Å; D268-N401 VanDerWaalsContact OD2-ND2 3.15Å; D268-T403 CarbonylContact C-O 3.59Å |
| 269 | Q | 98.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 25.4 Ų | 25.4 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | 175 | -69.5 | 166.2 | -2.2 | 0 | 0 | 112.4 | W226 L265 T266 K271 V272 Q273 T403 | W226-Q269 HydrophobicContact CD2-CB 4.18Å; W226-Q269 HydrophobicContact CD2-CG 3.59Å; W226-Q269 HydrophobicContact CE3-CB 3.64Å; W226-Q269 HydrophobicContact CE3-CG 3.57Å; W226-Q269 HydrophobicContact CG-CG 4.12Å; W226-Q269 HydrophobicContact CH2-CB 4.46Å; W226-Q269 HydrophobicContact CH2-CG 4.16Å; W226-Q269 HydrophobicContact CZ2-CG 4.18Å; W226-Q269 HydrophobicContact CZ3-CB 3.79Å; W226-Q269 HydrophobicContact CZ3-CG 3.87Å; L265-Q269 HydrophobicContact CB-CB 4.26Å; L265-Q269 HydrophobicContact CD2-CB 4.31Å; T266-Q269 VanDerWaalsContact N-OE1 3.09Å; T266-Q269 PolarHBondContact O-N 3Å; T266-Q269 VanDerWaalsContact OG1-CG 3.26Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.44Å; T266-Q269 PolarHBondContact OG1-N 3.5Å; Q269-K271 VanDerWaalsContact C-N 3.35Å; Q269-V272 WeakPolarHBondContact O-CB 3.46Å; Q269-V272 PolarHBondContact O-N 2.87Å; Q269-V272 VanDerWaalsContact O-N 3.16Å; Q269-Q273 PolarHBondContact O-N 2.93Å; Q269-T403 PolarHBondContact N-O 2.95Å |
| 270 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I260 T266 I267 V272 Q273 M274 I300 | I260-A270 HydrophobicContact CB-CB 4.48Å; I260-A270 WeakPolarHBondContact CD1-O 3.45Å; I260-A270 HydrophobicContact CG1-CB 4.09Å; I260-A270 HydrophobicContact CG2-CB 4.02Å; T266-A270 WeakPolarHBondContact O-CB 3.19Å; T266-A270 PolarHBondContact O-N 3.31Å; I267-A270 PolarHBondContact O-N 3.05Å; A270-V272 VanDerWaalsContact C-N 3.32Å; A270-V272 PolarHBondContact O-N 3.12Å; A270-Q273 PolarHBondContact O-N 3.39Å; A270-M274 PolarHBondContact O-N 2.8Å; A270-M274 VanDerWaalsContact O-N 3.07Å; A270-I300 HydrophobicContact CB-CD1 3.85Å |
| 271 | K | 98.8 | Very high | 97.6 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 25% | 0.248 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 172.5 | -72.2 | 177.2 | -177.9 | 174.7 | 0 | 111.9 | I267 D268 Q269 M274 A275 I300 F382 V405 | I267-K271 WeakPolarHBondContact O-CG 3.44Å; I267-K271 PolarHBondContact O-N 3.19Å; D268-K271 WeakPolarHBondContact O-CB 3.43Å; D268-K271 PolarHBondContact O-N 2.94Å; Q269-K271 VanDerWaalsContact C-N 3.35Å; K271-M274 PolarHBondContact O-N 3.27Å; K271-A275 WeakPolarHBondContact O-CB 3.47Å; K271-A275 PolarHBondContact O-N 2.89Å; K271-I300 HydrophobicContact CG-CD1 3.7Å; K271-I300 HydrophobicContact CG-CG1 3.94Å; K271-F382 HydrophobicContact CB-CE1 4.17Å; K271-F382 HydrophobicContact CB-CE2 4.18Å; K271-F382 HydrophobicContact CB-CZ 3.9Å; K271-F382 HydrophobicContact CD-CD1 4.13Å; K271-F382 HydrophobicContact CD-CD2 4.48Å; K271-F382 HydrophobicContact CD-CE1 4.41Å; K271-F382 HydrophobicContact CD-CG 4.18Å; K271-F382 HydrophobicContact CG-CD1 4.02Å; K271-F382 HydrophobicContact CG-CE1 3.82Å; K271-F382 HydrophobicContact CG-CE2 4.5Å; K271-F382 HydrophobicContact CG-CG 4.46Å; K271-F382 HydrophobicContact CG-CZ 4.07Å; K271-V405 HydrophobicContact CB-CG2 3.81Å |
| 272 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -50.4 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | W226 I233 D268 Q269 A270 M274 A275 L276 F350 T403 V405 | W226-V272 HydrophobicContact CH2-CB 3.99Å; W226-V272 HydrophobicContact CH2-CG1 3.89Å; W226-V272 HydrophobicContact CH2-CG2 4.12Å; W226-V272 HydrophobicContact CZ3-CB 4.21Å; W226-V272 HydrophobicContact CZ3-CG1 4.34Å; I233-V272 HydrophobicContact CD1-CG1 4.27Å; D268-V272 WeakPolarHBondContact O-CG2 3.44Å; D268-V272 PolarHBondContact O-N 3.03Å; Q269-V272 WeakPolarHBondContact O-CB 3.46Å; Q269-V272 PolarHBondContact O-N 2.87Å; Q269-V272 VanDerWaalsContact O-N 3.16Å; A270-V272 VanDerWaalsContact C-N 3.32Å; A270-V272 PolarHBondContact O-N 3.12Å; V272-M274 PolarHBondContact O-N 3.1Å; V272-A275 PolarHBondContact O-N 2.94Å; V272-L276 HydrophobicContact CG1-CD1 3.66Å; V272-L276 HydrophobicContact CG1-CG 4.13Å; V272-L276 PolarHBondContact O-N 2.88Å; V272-F350 HydrophobicContact CB-CE2 4.35Å; V272-F350 HydrophobicContact CG1-CD1 4.42Å; V272-F350 HydrophobicContact CG1-CD2 3.74Å; V272-F350 HydrophobicContact CG1-CE1 4.27Å; V272-F350 HydrophobicContact CG1-CE2 3.62Å; V272-F350 HydrophobicContact CG1-CG 4.16Å; V272-F350 HydrophobicContact CG1-CZ 3.89Å; V272-F350 HydrophobicContact CG2-CD2 3.94Å; V272-F350 HydrophobicContact CG2-CE2 3.83Å; V272-T403 VanDerWaalsContact CG2-O 3.23Å; V272-T403 WeakPolarHBondContact CG2-O 3.45Å; V272-V405 HydrophobicContact CB-CG1 3.95Å; V272-V405 HydrophobicContact CG1-CG1 3.94Å; V272-V405 HydrophobicContact CG2-CB 4.34Å; V272-V405 HydrophobicContact CG2-CG1 3.59Å; V272-V405 HydrophobicContact CG2-CG2 4.22Å |
| 273 | Q | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.4 | -49.8 | -179.3 | -167.2 | -177.7 | 24.1 | 0 | 0 | 110.7 | V229 M257 L258 I260 Q269 A270 A275 L276 W277 | V229-Q273 HydrophobicContact CG1-CB 4.41Å; V229-Q273 HydrophobicContact CG1-CG 4.42Å; M257-Q273 PolarHBondContact O-NE2 3.43Å; L258-Q273 HydrophobicContact CD2-CG 3.91Å; I260-Q273 HydrophobicContact CG1-CB 4.43Å; Q269-Q273 PolarHBondContact O-N 2.93Å; A270-Q273 PolarHBondContact O-N 3.39Å; Q273-A275 VanDerWaalsContact C-N 3.35Å; Q273-A275 PolarHBondContact O-N 2.84Å; Q273-L276 PolarHBondContact O-N 3.5Å; Q273-W277 HydrophobicContact CG-CD2 3.99Å; Q273-W277 HydrophobicContact CG-CE3 3.68Å; Q273-W277 HydrophobicContact CG-CH2 4.13Å; Q273-W277 HydrophobicContact CG-CZ2 4.39Å; Q273-W277 HydrophobicContact CG-CZ3 3.76Å; Q273-W277 WeakPolarHBondContact O-CB 3.43Å; Q273-W277 VanDerWaalsContact O-CE3 3.24Å; Q273-W277 PolarHBondContact O-N 3.49Å |
| 274 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 178.5 | -168.9 | 67.9 | -177.1 | 0 | 0 | 111.9 | L258 I260 A270 K271 V272 S278 L284 I300 L301 V306 I307 | L258-M274 HydrophobicContact CD1-SD 4.03Å; I260-M274 HydrophobicContact CD1-CB 3.73Å; I260-M274 HydrophobicContact CD1-CG 4.44Å; I260-M274 HydrophobicContact CD1-SD 4.16Å; A270-M274 PolarHBondContact O-N 2.8Å; A270-M274 VanDerWaalsContact O-N 3.07Å; K271-M274 PolarHBondContact O-N 3.27Å; V272-M274 PolarHBondContact O-N 3.1Å; M274-S278 VanDerWaalsContact O-CB 3.28Å; M274-S278 WeakPolarHBondContact O-CB 3.37Å; M274-S278 PolarHBondContact O-N 2.63Å; M274-S278 VanDerWaalsContact O-N 3.07Å; M274-S278 PolarHBondContact O-OG 3.25Å; M274-L284 HydrophobicContact CE-CD1 3.85Å; M274-L284 HydrophobicContact SD-CD2 4.47Å; M274-I300 HydrophobicContact CB-CG2 3.7Å; M274-I300 HydrophobicContact CG-CG2 3.95Å; M274-L301 HydrophobicContact SD-CD2 4.36Å; M274-V306 HydrophobicContact CE-CG1 4.04Å; M274-V306 HydrophobicContact CG-CG1 3.69Å; M274-I307 HydrophobicContact CE-CG1 4.06Å |
| 275 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K271 V272 Q273 S278 I279 V348 F382 V405 M407 | K271-A275 WeakPolarHBondContact O-CB 3.47Å; K271-A275 PolarHBondContact O-N 2.89Å; V272-A275 PolarHBondContact O-N 2.94Å; Q273-A275 VanDerWaalsContact C-N 3.35Å; Q273-A275 PolarHBondContact O-N 2.84Å; A275-S278 PolarHBondContact O-N 2.75Å; A275-I279 WeakPolarHBondContact O-CB 3.5Å; A275-I279 WeakPolarHBondContact O-CG1 3.42Å; A275-I279 PolarHBondContact O-N 3.45Å; A275-V348 HydrophobicContact CB-CG1 4.5Å; A275-V348 HydrophobicContact CB-CG2 3.97Å; A275-F382 HydrophobicContact CB-CE2 4.12Å; A275-F382 HydrophobicContact CB-CZ 4.28Å; A275-V405 HydrophobicContact CB-CG2 4Å; A275-M407 HydrophobicContact CB-CB 4.37Å; A275-M407 HydrophobicContact CB-SD 3.74Å |
| 276 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -73.5 | -40.6 | -177 | -66.5 | -177.9 | 0 | 0 | 0 | 112.3 | I233 V272 Q273 S278 I279 W280 Y330 V348 F350 | I233-L276 HydrophobicContact CD1-CD1 3.57Å; I233-L276 HydrophobicContact CG1-CD1 3.7Å; I233-L276 HydrophobicContact CG2-CD1 4.1Å; V272-L276 HydrophobicContact CG1-CD1 3.66Å; V272-L276 HydrophobicContact CG1-CG 4.13Å; V272-L276 PolarHBondContact O-N 2.88Å; Q273-L276 PolarHBondContact O-N 3.5Å; L276-S278 VanDerWaalsContact C-N 3.28Å; L276-S278 PolarHBondContact O-N 2.74Å; L276-I279 PolarHBondContact O-N 3.35Å; L276-W280 HydrophobicContact CB-CE3 4.32Å; L276-W280 HydrophobicContact CB-CH2 3.81Å; L276-W280 HydrophobicContact CB-CZ2 4.05Å; L276-W280 HydrophobicContact CB-CZ3 3.95Å; L276-W280 HydrophobicContact CD1-CH2 4.32Å; L276-W280 HydrophobicContact CD1-CZ2 4.46Å; L276-W280 VanDerWaalsContact O-CE3 3.25Å; L276-W280 VanDerWaalsContact O-CG 3.31Å; L276-W280 PolarHBondContact O-N 2.87Å; L276-Y330 HydrophobicContact CD1-CE2 4.43Å; L276-Y330 HydrophobicContact CD2-CD1 4.28Å; L276-Y330 HydrophobicContact CD2-CD2 3.51Å; L276-Y330 HydrophobicContact CD2-CE1 4.2Å; L276-Y330 HydrophobicContact CD2-CE2 3.41Å; L276-Y330 VanDerWaalsContact CD2-CE2 3.41Å; L276-Y330 HydrophobicContact CD2-CG 3.96Å; L276-V348 HydrophobicContact CD2-CB 4.32Å; L276-V348 HydrophobicContact CD2-CG1 3.75Å; L276-F350 HydrophobicContact CD1-CD1 3.94Å; L276-F350 HydrophobicContact CD1-CE1 4.25Å; L276-F350 HydrophobicContact CD1-CG 4.43Å |
| 277 | W | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 171.9 | -90.6 | -121.5 | 0 | 0 | 0 | 111.1 | I222 V229 I232 I233 P255 D256 L258 Q273 I279 W280 A281 S282 L284 | I222-W277 HydrophobicContact CD1-CH2 4.46Å; I222-W277 HydrophobicContact CD1-CZ2 4.23Å; V229-W277 HydrophobicContact CG1-CH2 4.43Å; V229-W277 HydrophobicContact CG1-CZ3 4.26Å; I232-W277 HydrophobicContact CB-CH2 4.18Å; I232-W277 HydrophobicContact CD1-CH2 4.38Å; I232-W277 HydrophobicContact CD1-CZ2 4.44Å; I232-W277 HydrophobicContact CG2-CH2 3.65Å; I232-W277 HydrophobicContact CG2-CZ2 4Å; I233-W277 HydrophobicContact CG1-CZ3 4.48Å; P255-W277 HydrophobicContact CB-CZ2 4Å; P255-W277 HydrophobicContact CG-CD2 4.16Å; P255-W277 HydrophobicContact CG-CG 4.26Å; P255-W277 HydrophobicContact CG-CZ2 4.13Å; P255-W277 WeakPolarHBondContact O-CZ2 3.39Å; D256-W277 PolarHBondContact O-NE1 2.95Å; L258-W277 HydrophobicContact CD2-CB 4.04Å; L258-W277 HydrophobicContact CD2-CD2 4.23Å; L258-W277 HydrophobicContact CD2-CG 3.71Å; Q273-W277 HydrophobicContact CG-CD2 3.99Å; Q273-W277 HydrophobicContact CG-CE3 3.68Å; Q273-W277 HydrophobicContact CG-CH2 4.13Å; Q273-W277 HydrophobicContact CG-CZ2 4.39Å; Q273-W277 HydrophobicContact CG-CZ3 3.76Å; Q273-W277 WeakPolarHBondContact O-CB 3.43Å; Q273-W277 VanDerWaalsContact O-CE3 3.24Å; Q273-W277 PolarHBondContact O-N 3.49Å; W277-I279 PolarHBondContact O-N 3.08Å; W277-W280 HydrophobicContact CD2-CE3 4.5Å; W277-W280 HydrophobicContact CD2-CZ3 4.24Å; W277-W280 HydrophobicContact CE3-CE3 4.2Å; W277-W280 AromaticContact CE3-CZ3 3.6Å; W277-W280 HydrophobicContact CE3-CZ3 3.6Å; W277-W280 HydrophobicContact CH2-CZ3 4.39Å; W277-W280 HydrophobicContact CZ3-CH2 4.36Å; W277-W280 AromaticContact CZ3-CZ3 3.69Å; W277-W280 HydrophobicContact CZ3-CZ3 3.69Å; W277-W280 PolarHBondContact O-N 2.89Å; W277-A281 PolarHBondContact O-N 3.04Å; W277-S282 WeakPolarHBondContact O-CB 3.22Å; W277-S282 PolarHBondContact O-N 3.18Å; W277-L284 HydrophobicContact CB-CD2 4.05Å |
| 278 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 178 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | M274 A275 L276 W280 A281 V306 D310 K332 | M274-S278 VanDerWaalsContact O-CB 3.28Å; M274-S278 WeakPolarHBondContact O-CB 3.37Å; M274-S278 PolarHBondContact O-N 2.63Å; M274-S278 VanDerWaalsContact O-N 3.07Å; M274-S278 PolarHBondContact O-OG 3.25Å; A275-S278 PolarHBondContact O-N 2.75Å; L276-S278 VanDerWaalsContact C-N 3.28Å; L276-S278 PolarHBondContact O-N 2.74Å; S278-W280 VanDerWaalsContact C-N 3.31Å; S278-W280 PolarHBondContact O-N 3.38Å; S278-A281 PolarHBondContact O-N 2.98Å; S278-V306 VanDerWaalsContact OG-CG1 3.26Å; S278-V306 WeakPolarHBondContact OG-CG1 3.46Å; S278-D310 WeakPolarHBondContact CA-OD2 3.46Å; S278-K332 PolarHBondContact O-NZ 3.45Å |
| 279 | I | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.2 | -80.4 | -64.4 | 0 | 0 | 0 | 110.7 | A275 L276 W277 A281 V309 G318 Y330 K332 A346 V348 M407 | A275-I279 WeakPolarHBondContact O-CB 3.5Å; A275-I279 WeakPolarHBondContact O-CG1 3.42Å; A275-I279 PolarHBondContact O-N 3.45Å; L276-I279 PolarHBondContact O-N 3.35Å; W277-I279 PolarHBondContact O-N 3.08Å; I279-A281 PolarHBondContact O-N 3.37Å; I279-V309 HydrophobicContact CD1-CG1 4.45Å; I279-G318 WeakPolarHBondContact O-CA 3.38Å; I279-G318 PolarHBondContact O-N 2.87Å; I279-Y330 HydrophobicContact CG2-CD1 4.47Å; I279-Y330 HydrophobicContact CG2-CG 4.4Å; I279-K332 HydrophobicContact CD1-CB 3.71Å; I279-K332 VanDerWaalsContact O-CD 3.3Å; I279-K332 WeakPolarHBondContact O-CD 3.39Å; I279-A346 HydrophobicContact CD1-CB 3.73Å; I279-V348 HydrophobicContact CD1-CG2 3.97Å; I279-V348 HydrophobicContact CG1-CB 4.15Å; I279-V348 HydrophobicContact CG1-CG2 3.37Å; I279-M407 HydrophobicContact CD1-CE 4.32Å; I279-M407 HydrophobicContact CG1-CE 4.36Å |
| 280 | W | 98.7 | Very high | 98.7 | Very high | 5 Ų | 5 | 5 Ų | 5 | 2% | 0.019 | 2% | 0.024 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -1.1 | 179.8 | -60.9 | -40.2 | 0 | 0 | 0 | 114.5 | I233 M236 P255 L276 W277 S278 S282 M317 Y330 | I233-W280 HydrophobicContact CB-CH2 4.15Å; I233-W280 HydrophobicContact CG1-CH2 3.71Å; I233-W280 HydrophobicContact CG2-CH2 4.34Å; I233-W280 HydrophobicContact CG2-CZ2 4.42Å; M236-W280 HydrophobicContact CB-CD2 4.46Å; M236-W280 HydrophobicContact CB-CH2 3.9Å; M236-W280 HydrophobicContact CB-CZ2 3.67Å; M236-W280 HydrophobicContact CB-CZ3 4.4Å; M236-W280 HydrophobicContact CE-CB 3.92Å; M236-W280 HydrophobicContact CE-CD2 3.64Å; M236-W280 HydrophobicContact CE-CE3 3.86Å; M236-W280 HydrophobicContact CE-CG 3.67Å; M236-W280 HydrophobicContact CG-CD2 4.36Å; M236-W280 HydrophobicContact CG-CE3 4.17Å; M236-W280 HydrophobicContact CG-CH2 3.91Å; M236-W280 HydrophobicContact CG-CZ2 4.13Å; M236-W280 HydrophobicContact CG-CZ3 3.94Å; P255-W280 HydrophobicContact CG-CE3 4.34Å; L276-W280 HydrophobicContact CB-CE3 4.32Å; L276-W280 HydrophobicContact CB-CH2 3.81Å; L276-W280 HydrophobicContact CB-CZ2 4.05Å; L276-W280 HydrophobicContact CB-CZ3 3.95Å; L276-W280 HydrophobicContact CD1-CH2 4.32Å; L276-W280 HydrophobicContact CD1-CZ2 4.46Å; L276-W280 VanDerWaalsContact O-CE3 3.25Å; L276-W280 VanDerWaalsContact O-CG 3.31Å; L276-W280 PolarHBondContact O-N 2.87Å; W277-W280 HydrophobicContact CD2-CE3 4.5Å; W277-W280 HydrophobicContact CD2-CZ3 4.24Å; W277-W280 HydrophobicContact CE3-CE3 4.2Å; W277-W280 AromaticContact CE3-CZ3 3.6Å; W277-W280 HydrophobicContact CE3-CZ3 3.6Å; W277-W280 HydrophobicContact CH2-CZ3 4.39Å; W277-W280 HydrophobicContact CZ3-CH2 4.36Å; W277-W280 AromaticContact CZ3-CZ3 3.69Å; W277-W280 HydrophobicContact CZ3-CZ3 3.69Å; W277-W280 PolarHBondContact O-N 2.89Å; S278-W280 VanDerWaalsContact C-N 3.31Å; S278-W280 PolarHBondContact O-N 3.38Å; W280-S282 VanDerWaalsContact C-N 3.27Å; W280-S282 WeakPolarHBondContact CB-OG 3.15Å; W280-S282 PolarHBondContact O-N 3.26Å; W280-M317 HydrophobicContact CB-CE 4.15Å; W280-M317 HydrophobicContact CB-CG 4.46Å; W280-M317 HydrophobicContact CG-CE 4.08Å; W280-M317 WeakPolarHBondContact O-CG 3.44Å; W280-Y330 HydrophobicContact CZ2-CE1 4.17Å; W280-Y330 AromaticContact NE1-CD1 4Å; W280-Y330 AromaticContact NE1-CE1 3.97Å |
| 281 | A | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 46.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111 | P30 W252 W277 S278 I279 | P30-A281 HydrophobicContact CG-CB 4.11Å; P30-A281 VanDerWaalsContact CG-O 3.27Å; P30-A281 WeakPolarHBondContact CG-O 3.36Å; W252-A281 HydrophobicContact CE3-CB 4.1Å; W252-A281 VanDerWaalsContact CE3-O 3.25Å; W252-A281 HydrophobicContact CZ3-CB 3.81Å; W277-A281 PolarHBondContact O-N 3.04Å; S278-A281 PolarHBondContact O-N 2.98Å; I279-A281 PolarHBondContact O-N 3.37Å |
| 282 | S | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -92.9 | 154.2 | -177.6 | -68 | 0 | 0 | 0 | 0 | 111.3 | P30 N253 P255 W277 W280 L284 D310 | P30-S282 WeakPolarHBondContact CB-O 3.36Å; N253-S282 PolarHBondContact O-OG 3.2Å; P255-S282 VanDerWaalsContact CD-CB 3.45Å; P255-S282 WeakPolarHBondContact CD-OG 3.49Å; P255-S282 VanDerWaalsContact CG-OG 3.28Å; P255-S282 WeakPolarHBondContact CG-OG 3.45Å; W277-S282 WeakPolarHBondContact O-CB 3.22Å; W277-S282 PolarHBondContact O-N 3.18Å; W280-S282 VanDerWaalsContact C-N 3.27Å; W280-S282 WeakPolarHBondContact CB-OG 3.15Å; W280-S282 PolarHBondContact O-N 3.26Å; S282-L284 PolarHBondContact O-N 3.48Å; S282-D310 VanDerWaalsContact O-OD2 3.08Å | ||
| 283 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -52.8 | 131.5 | 172.2 | -22.2 | 31.8 | 0 | 0 | 0 | 111.3 | P31 L215 N253 D254 I285 | P31-P283 CarbonylContact O-C 3.51Å; P31-P283 VanDerWaalsContact O-CA 3.25Å; P31-P283 WeakPolarHBondContact O-CA 3.3Å; L215-P283 HydrophobicContact CB-CG 4.42Å; L215-P283 HydrophobicContact CD1-CB 4.21Å; L215-P283 HydrophobicContact CD1-CG 3.58Å; N253-P283 WeakPolarHBondContact O-CD 3.49Å; D254-P283 HydrophobicContact CB-CG 4.19Å; P283-I285 VanDerWaalsContact C-N 3.35Å; P283-I285 HydrophobicContact CB-CD1 3.88Å; P283-I285 HydrophobicContact CB-CG1 3.89Å; P283-I285 PolarHBondContact O-N 3.48Å | ||
| 284 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 70.9 | 173.8 | -56.5 | -179.8 | 0 | 0 | 0 | 108.8 | P31 M32 G33 Y76 L258 M274 W277 S282 D310 | P31-L284 PolarHBondContact O-N 2.85Å; M32-L284 WeakPolarHBondContact CA-O 3.24Å; M32-L284 HydrophobicContact CE-CD1 4.02Å; M32-L284 HydrophobicContact CG-CB 4.1Å; M32-L284 HydrophobicContact CG-CD1 4.42Å; M32-L284 HydrophobicContact SD-CD1 4.45Å; G33-L284 PolarHBondContact N-O 3.23Å; Y76-L284 WeakPolarHBondContact CD1-O 3.24Å; Y76-L284 HydrophobicContact CE1-CB 4Å; Y76-L284 VanDerWaalsContact CE1-O 3.26Å; Y76-L284 WeakPolarHBondContact CE1-O 3.42Å; L258-L284 HydrophobicContact CD1-CB 3.94Å; L258-L284 HydrophobicContact CD1-CD2 4.01Å; M274-L284 HydrophobicContact CE-CD1 3.85Å; M274-L284 HydrophobicContact SD-CD2 4.47Å; W277-L284 HydrophobicContact CB-CD2 4.05Å; S282-L284 PolarHBondContact O-N 3.48Å; L284-D310 HydrophobicContact CD1-CB 3.78Å; L284-D310 WeakPolarHBondContact CD1-OD1 3.48Å; L284-D310 HydrophobicContact CG-CB 4.37Å; L284-D310 WeakPolarHBondContact CG-OD1 3.11Å |
| 285 | I | 98.9 | Very high | 98.4 | Very high | 9 Ų | 9 | 21.7 Ų | 21.7 | 5% | 0.046 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 107 | -179.6 | -60.8 | 177.7 | 0 | 0 | 0 | 108.6 | L35 M156 M257 L258 P283 | L35-I285 HydrophobicContact CB-CG2 3.4Å; L35-I285 HydrophobicContact CD2-CG2 4.43Å; M156-I285 HydrophobicContact CE-CD1 4.33Å; M257-I285 CarbonylContact C-O 3.49Å; M257-I285 VanDerWaalsContact CA-O 3.29Å; M257-I285 WeakPolarHBondContact CA-O 3.36Å; M257-I285 WeakPolarHBondContact CB-O 3.37Å; M257-I285 HydrophobicContact CG-CG2 4.34Å; L258-I285 PolarHBondContact N-O 3.26Å; P283-I285 VanDerWaalsContact C-N 3.35Å; P283-I285 HydrophobicContact CB-CD1 3.88Å; P283-I285 HydrophobicContact CB-CG1 3.89Å; P283-I285 PolarHBondContact O-N 3.48Å |
| 286 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 144.1 | 177.9 | -58.6 | 178.5 | -65.4 | 0 | 0 | 111.3 | G33 W34 L35 Y71 Y76 L290 L301 | G33-M286 PolarHBondContact O-N 3.3Å; W34-M286 CarbonylContact C-O 3.51Å; W34-M286 WeakPolarHBondContact CA-O 3.22Å; W34-M286 HydrophobicContact CB-CE 4.32Å; L35-M286 PolarHBondContact N-O 3.26Å; Y71-M286 HydrophobicContact CD1-CE 3.61Å; Y71-M286 HydrophobicContact CD1-SD 3.65Å; Y71-M286 HydrophobicContact CE1-CE 4.1Å; Y71-M286 HydrophobicContact CE1-SD 3.63Å; Y71-M286 HydrophobicContact CG-CE 4.21Å; Y76-M286 HydrophobicContact CD1-CE 3.64Å; Y76-M286 HydrophobicContact CD1-CG 4.11Å; Y76-M286 HydrophobicContact CD1-SD 4.02Å; Y76-M286 HydrophobicContact CD2-CE 4.47Å; Y76-M286 HydrophobicContact CE1-CE 4.13Å; Y76-M286 HydrophobicContact CE1-CG 3.76Å; Y76-M286 HydrophobicContact CE1-SD 3.87Å; Y76-M286 HydrophobicContact CG-CE 3.84Å; Y76-M286 HydrophobicContact CG-SD 4.46Å; M286-L290 HydrophobicContact CE-CD1 4.41Å; M286-L290 HydrophobicContact CE-CD2 4.36Å; M286-L290 HydrophobicContact SD-CD2 4.34Å; M286-L301 HydrophobicContact CG-CD1 4.39Å; M286-L301 HydrophobicContact CG-CD2 3.88Å; M286-L301 HydrophobicContact SD-CB 4.4Å; M286-L301 HydrophobicContact SD-CD1 3.76Å; M286-L301 HydrophobicContact SD-CD2 4.01Å; M286-L301 HydrophobicContact SD-CG 4.27Å |
| 287 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -138 | 91.6 | 164.5 | 171.6 | 0 | 0 | 0 | 0 | 109.1 | L35 A38 A39 M257 L258 | L35-S287 WeakPolarHBondContact O-CA 3.22Å; L35-S287 WeakPolarHBondContact O-CB 3.4Å; L35-S287 PolarHBondContact O-OG 2.9Å; A38-S287 WeakPolarHBondContact CA-OG 3.3Å; A38-S287 WeakPolarHBondContact CB-OG 2.95Å; A38-S287 PolarHBondContact N-OG 3.5Å; A38-S287 VanDerWaalsContact N-OG 3.13Å; A39-S287 WeakPolarHBondContact CB-O 3.47Å; A39-S287 WeakPolarHBondContact CB-OG 3.3Å; A39-S287 PolarHBondContact N-OG 3.23Å; M257-S287 WeakPolarHBondContact SD-CB 3.45Å; L258-S287 PolarHBondContact O-N 2.97Å | ||
| 288 | N | 98.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -155.4 | 173.2 | -175.9 | 55.8 | 24.6 | 0 | 0 | 0 | 109.9 | W34 F40 I260 L290 | W34-N288 PolarHBondContact NE1-O 2.92Å; F40-N288 WeakPolarHBondContact CE2-O 3.37Å; I260-N288 WeakPolarHBondContact O-CB 3.38Å; I260-N288 PolarHBondContact O-ND2 3.39Å; N288-L290 WeakPolarHBondContact OD1-CD2 3.33Å |
| 289 | D | 98.1 | Very high | 98.3 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 17% | 0.166 | 15% | 0.153 | C | C | . | . | trans | -95.2 | 98.6 | 173.7 | -164.5 | -29.9 | 0 | 0 | 0 | 110.2 | F40 M62 R291 F292 I293 | F40-D289 HydrophobicContact CZ-CB 3.95Å; M62-D289 WeakPolarHBondContact CE-OD1 3.4Å; D289-R291 PolarHBondContact O-N 3.44Å; D289-R291 VanDerWaalsContact O-N 3.17Å; D289-R291 VanDerWaalsContact OD1-CB 3.31Å; D289-R291 WeakPolarHBondContact OD1-CB 3.35Å; D289-R291 IonicContact OD1-CZ 3.72Å; D289-R291 PolarHBondContact OD1-N 3.07Å; D289-R291 IonicContact OD1-NE 3.16Å; D289-R291 PolarHBondContact OD1-NE 2.8Å; D289-R291 IonicContact OD1-NH2 3.78Å; D289-R291 PolarHBondContact OD1-NH2 2.79Å; D289-R291 IonicContact OD2-CZ 3.6Å; D289-R291 IonicContact OD2-NE 3.79Å; D289-R291 IonicContact OD2-NH2 3.01Å; D289-R291 PolarHBondContact OD2-NH2 3.29Å; D289-F292 HydrophobicContact CB-CD2 4.37Å; D289-F292 PolarHBondContact O-N 3.36Å; D289-F292 VanDerWaalsContact O-N 3.11Å; D289-F292 WeakPolarHBondContact OD2-CD2 3.45Å; D289-I293 PolarHBondContact O-N 2.94Å | ||
| 290 | L | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -20.2 | -176.3 | -62.9 | 178.5 | 0 | 0 | 0 | 112.9 | M62 R65 M66 Y71 M286 N288 F292 | M62-L290 HydrophobicContact SD-CB 3.86Å; M62-L290 HydrophobicContact SD-CD1 4.35Å; M62-L290 HydrophobicContact SD-CG 4.05Å; R65-L290 HydrophobicContact CB-CB 3.79Å; R65-L290 HydrophobicContact CB-CD1 4.45Å; R65-L290 HydrophobicContact CG-CB 4.3Å; M66-L290 HydrophobicContact CG-CD1 3.5Å; M66-L290 VanDerWaalsContact CG-CD1 3.5Å; M66-L290 HydrophobicContact SD-CD1 4.43Å; Y71-L290 HydrophobicContact CE1-CD2 4.07Å; Y71-L290 HydrophobicContact CE2-CD2 4.01Å; M286-L290 HydrophobicContact CE-CD1 4.41Å; M286-L290 HydrophobicContact CE-CD2 4.36Å; M286-L290 HydrophobicContact SD-CD2 4.34Å; N288-L290 WeakPolarHBondContact OD1-CD2 3.33Å; L290-F292 PolarHBondContact O-N 2.98Å |
| 291 | R | 98 | Very high | 98.3 | Very high | 46 Ų | 46 | 31.2 Ų | 31.2 | 17% | 0.174 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -24.1 | 177.3 | -57.6 | 169.2 | -68 | -159 | 1.6 | 112.3 | L51 D61 M62 R65 D289 | L51-R291 PolarHBondContact O-NH1 3.06Å; L51-R291 PolarHBondContact O-NH2 3.48Å; D61-R291 IonicContact OD2-CZ 2.72Å; D61-R291 IonicContact OD2-NH1 3.56Å; D61-R291 PolarHBondContact OD2-NH1 3.04Å; M62-R291 HydrophobicContact CE-CG 4.22Å; R65-R291 HydrophobicContact CG-CG 4.15Å; D289-R291 PolarHBondContact O-N 3.44Å; D289-R291 VanDerWaalsContact O-N 3.17Å; D289-R291 VanDerWaalsContact OD1-CB 3.31Å; D289-R291 WeakPolarHBondContact OD1-CB 3.35Å; D289-R291 IonicContact OD1-CZ 3.72Å; D289-R291 PolarHBondContact OD1-N 3.07Å; D289-R291 IonicContact OD1-NE 3.16Å; D289-R291 PolarHBondContact OD1-NE 2.8Å; D289-R291 IonicContact OD1-NH2 3.78Å; D289-R291 PolarHBondContact OD1-NH2 2.79Å; D289-R291 IonicContact OD2-CZ 3.6Å; D289-R291 IonicContact OD2-NE 3.79Å; D289-R291 IonicContact OD2-NH2 3.01Å; D289-R291 PolarHBondContact OD2-NH2 3.29Å |
| 292 | F | 96.5 | Very high | 98.4 | Very high | 142 Ų | 142 | 32.9 Ų | 32.9 | 62% | 0.623 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -127.4 | 13.9 | -172.3 | -52.9 | -65.3 | 0 | 0 | 0 | 113.6 | L51 D289 L290 | L51-F292 HydrophobicContact CD1-CZ 4.46Å; D289-F292 HydrophobicContact CB-CD2 4.37Å; D289-F292 PolarHBondContact O-N 3.36Å; D289-F292 VanDerWaalsContact O-N 3.11Å; D289-F292 WeakPolarHBondContact OD2-CD2 3.45Å; L290-F292 PolarHBondContact O-N 2.98Å |
| 293 | I | 97.7 | Very high | 98.4 | Very high | 18 Ų | 18 | 34.2 Ų | 34.2 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | trans | -69.6 | 135.2 | -179.3 | -166.9 | 168.8 | 0 | 0 | 0 | 111.8 | Y71 D289 N297 R298 L301 | Y71-I293 WeakPolarHBondContact OH-CG2 3.07Å; D289-I293 PolarHBondContact O-N 2.94Å; I293-N297 HydrophobicContact CD1-CB 4.05Å; I293-N297 HydrophobicContact CG1-CB 3.82Å; I293-R298 HydrophobicContact CG2-CB 4.4Å; I293-L301 HydrophobicContact CD1-CD1 3.55Å | ||
| 294 | T | 97.7 | Very high | 98.3 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 45% | 0.454 | 20% | 0.195 | S | C | . | . | trans | -70.5 | 152.7 | 178.3 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | A296 N297 R298 | T294-A296 VanDerWaalsContact C-N 3.27Å; T294-A296 PolarHBondContact O-N 3.26Å; T294-N297 PolarHBondContact O-N 2.91Å; T294-N297 PolarHBondContact OG1-N 3.25Å; T294-N297 PolarHBondContact OG1-ND2 3.39Å; T294-R298 PolarHBondContact O-N 3.17Å | ||
| 295 | K | 97.8 | Very high | 98.3 | Very high | 127 Ų | 127 | 44.3 Ų | 44.3 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -53.4 | -44.1 | 177 | -173 | -174 | -175.7 | -52.7 | 0 | 112.3 | N297 R298 D299 | K295-N297 PolarHBondContact O-N 3.31Å; K295-R298 PolarHBondContact O-N 3.43Å; K295-D299 IonicContact NZ-OD1 2.91Å; K295-D299 PolarHBondContact NZ-OD1 3.49Å; K295-D299 IonicContact NZ-OD2 2.83Å; K295-D299 PolarHBondContact NZ-OD2 3.07Å; K295-D299 WeakPolarHBondContact O-CB 3.34Å; K295-D299 PolarHBondContact O-N 2.77Å |
| 296 | A | 98 | Very high | 98.3 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 35% | 0.347 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.2 | -41.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I267 T294 I300 | I267-A296 HydrophobicContact CD1-CB 3.64Å; I267-A296 HydrophobicContact CG1-CB 4.34Å; T294-A296 VanDerWaalsContact C-N 3.27Å; T294-A296 PolarHBondContact O-N 3.26Å; A296-I300 WeakPolarHBondContact O-CG1 3.45Å; A296-I300 PolarHBondContact O-N 3.38Å |
| 297 | N | 98.5 | Very high | 98.3 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.4 | -39.2 | 176.4 | -76 | -46.6 | 0 | 0 | 0 | 111.9 | I260 I293 T294 K295 I300 L301 | I260-N297 HydrophobicContact CG2-CB 3.99Å; I293-N297 HydrophobicContact CD1-CB 4.05Å; I293-N297 HydrophobicContact CG1-CB 3.82Å; T294-N297 PolarHBondContact O-N 2.91Å; T294-N297 PolarHBondContact OG1-N 3.25Å; T294-N297 PolarHBondContact OG1-ND2 3.39Å; K295-N297 PolarHBondContact O-N 3.31Å; N297-I300 WeakPolarHBondContact O-CB 3.46Å; N297-I300 PolarHBondContact O-N 3.49Å; N297-L301 PolarHBondContact O-N 2.96Å; N297-L301 VanDerWaalsContact O-N 3.12Å |
| 298 | R | 98.5 | Very high | 98.3 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 27% | 0.272 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 173.3 | -177.3 | 174.7 | 70.5 | -156.4 | 3.5 | 111.8 | Y71 I293 T294 K295 I300 L301 L302 | Y71-R298 WeakPolarHBondContact OH-CG 3.47Å; I293-R298 HydrophobicContact CG2-CB 4.4Å; T294-R298 PolarHBondContact O-N 3.17Å; K295-R298 PolarHBondContact O-N 3.43Å; R298-I300 PolarHBondContact O-N 2.92Å; R298-L301 PolarHBondContact O-N 3.01Å; R298-L302 HydrophobicContact CG-CD1 3.53Å; R298-L302 HydrophobicContact CG-CG 4Å; R298-L302 WeakPolarHBondContact O-CB 3.21Å; R298-L302 WeakPolarHBondContact O-CG 3.28Å; R298-L302 PolarHBondContact O-N 2.78Å |
| 299 | D | 98.5 | Very high | 98.4 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.8 | -32.6 | 178.5 | -67 | -16.4 | 0 | 0 | 0 | 111.9 | K295 N303 | K295-D299 IonicContact NZ-OD1 2.91Å; K295-D299 PolarHBondContact NZ-OD1 3.49Å; K295-D299 IonicContact NZ-OD2 2.83Å; K295-D299 PolarHBondContact NZ-OD2 3.07Å; K295-D299 WeakPolarHBondContact O-CB 3.34Å; K295-D299 PolarHBondContact O-N 2.77Å; D299-N303 PolarHBondContact O-N 2.74Å |
| 300 | I | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.5 | -51.8 | 173.8 | -68.3 | 165.2 | 0 | 0 | 0 | 110.4 | I260 I267 A270 K271 M274 A296 N297 R298 L302 N303 F382 | I260-I300 HydrophobicContact CD1-CG2 4.12Å; I260-I300 HydrophobicContact CG2-CG2 4.46Å; I267-I300 HydrophobicContact CG2-CD1 4.17Å; A270-I300 HydrophobicContact CB-CD1 3.85Å; K271-I300 HydrophobicContact CG-CD1 3.7Å; K271-I300 HydrophobicContact CG-CG1 3.94Å; M274-I300 HydrophobicContact CB-CG2 3.7Å; M274-I300 HydrophobicContact CG-CG2 3.95Å; A296-I300 WeakPolarHBondContact O-CG1 3.45Å; A296-I300 PolarHBondContact O-N 3.38Å; N297-I300 WeakPolarHBondContact O-CB 3.46Å; N297-I300 PolarHBondContact O-N 3.49Å; R298-I300 PolarHBondContact O-N 2.92Å; I300-L302 VanDerWaalsContact C-N 3.33Å; I300-L302 PolarHBondContact O-N 3.17Å; I300-N303 WeakPolarHBondContact O-CB 3.45Å; I300-N303 PolarHBondContact O-N 3.07Å; I300-F382 HydrophobicContact CG2-CE1 4.37Å |
| 301 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | -179 | -71.5 | 164.9 | 0 | 0 | 0 | 111.7 | Y71 Y76 L258 I260 M274 M286 I293 N297 R298 N303 I307 | Y71-L301 HydrophobicContact CE1-CB 4.16Å; Y71-L301 HydrophobicContact CE1-CD1 4.26Å; Y76-L301 WeakPolarHBondContact CE2-O 3.45Å; Y76-L301 PolarHBondContact OH-O 3.28Å; L258-L301 HydrophobicContact CD1-CD2 3.95Å; I260-L301 HydrophobicContact CB-CD1 4.3Å; I260-L301 HydrophobicContact CB-CD2 4.06Å; I260-L301 HydrophobicContact CB-CG 4.19Å; I260-L301 HydrophobicContact CD1-CD2 3.85Å; I260-L301 HydrophobicContact CD1-CG 4.47Å; I260-L301 HydrophobicContact CG2-CD1 3.98Å; I260-L301 HydrophobicContact CG2-CD2 4.23Å; I260-L301 HydrophobicContact CG2-CG 3.83Å; M274-L301 HydrophobicContact SD-CD2 4.36Å; M286-L301 HydrophobicContact CG-CD1 4.39Å; M286-L301 HydrophobicContact CG-CD2 3.88Å; M286-L301 HydrophobicContact SD-CB 4.4Å; M286-L301 HydrophobicContact SD-CD1 3.76Å; M286-L301 HydrophobicContact SD-CD2 4.01Å; M286-L301 HydrophobicContact SD-CG 4.27Å; I293-L301 HydrophobicContact CD1-CD1 3.55Å; N297-L301 PolarHBondContact O-N 2.96Å; N297-L301 VanDerWaalsContact O-N 3.12Å; R298-L301 PolarHBondContact O-N 3.01Å; L301-N303 VanDerWaalsContact C-N 3.29Å; L301-N303 PolarHBondContact O-N 3.04Å; L301-I307 WeakPolarHBondContact O-CD1 3.5Å |
| 302 | L | 98.9 | Very high | 98.4 | Very high | 35 Ų | 35 | 45.9 Ų | 45.9 | 18% | 0.183 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 6.5 | -179.6 | -59 | -177.8 | 0 | 0 | 0 | 113.9 | D69 Y71 A74 Y76 R298 I300 R304 | D69-L302 WeakPolarHBondContact O-CD1 3.43Å; Y71-L302 HydrophobicContact CD1-CD2 3.46Å; Y71-L302 VanDerWaalsContact CD1-CD2 3.46Å; Y71-L302 HydrophobicContact CD1-CG 4.34Å; Y71-L302 HydrophobicContact CE1-CD2 3.87Å; Y71-L302 HydrophobicContact CE1-CG 4.25Å; Y71-L302 HydrophobicContact CG-CD2 3.82Å; A74-L302 HydrophobicContact CB-CD2 3.57Å; Y76-L302 HydrophobicContact CE2-CD2 4.42Å; R298-L302 HydrophobicContact CG-CD1 3.53Å; R298-L302 HydrophobicContact CG-CG 4Å; R298-L302 WeakPolarHBondContact O-CB 3.21Å; R298-L302 WeakPolarHBondContact O-CG 3.28Å; R298-L302 PolarHBondContact O-N 2.78Å; I300-L302 VanDerWaalsContact C-N 3.33Å; I300-L302 PolarHBondContact O-N 3.17Å; L302-R304 PolarHBondContact O-N 2.7Å |
| 303 | N | 98.8 | Very high | 98.5 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | trans | -67.2 | 101.4 | -177.9 | -173.1 | -30.6 | 0 | 0 | 0 | 111 | D299 I300 L301 K305 V306 I307 V381 | D299-N303 PolarHBondContact O-N 2.74Å; I300-N303 WeakPolarHBondContact O-CB 3.45Å; I300-N303 PolarHBondContact O-N 3.07Å; L301-N303 VanDerWaalsContact C-N 3.29Å; L301-N303 PolarHBondContact O-N 3.04Å; N303-K305 PolarHBondContact O-N 2.78Å; N303-K305 VanDerWaalsContact O-N 3.17Å; N303-K305 WeakPolarHBondContact OD1-CB 3.34Å; N303-K305 PolarHBondContact OD1-N 3.32Å; N303-V306 HydrophobicContact CB-CB 4.2Å; N303-V306 HydrophobicContact CB-CG2 4.02Å; N303-V306 PolarHBondContact O-N 3.34Å; N303-V306 PolarHBondContact OD1-N 3.33Å; N303-I307 WeakPolarHBondContact O-CG1 3.31Å; N303-I307 PolarHBondContact O-N 3.36Å; N303-V381 PolarHBondContact ND2-O 2.66Å | ||
| 304 | R | 98.6 | Very high | 98.4 | Very high | 140 Ų | 140 | 45.5 Ų | 45.5 | 53% | 0.528 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.6 | -31.9 | -178.6 | -62.3 | -60.2 | -170.5 | 144.6 | 2.6 | 114.4 | A73 A74 L302 A308 | A73-R304 PolarHBondContact O-NH1 3.4Å; A73-R304 PolarHBondContact O-NH2 3.06Å; A74-R304 VanDerWaalsContact CA-NH1 3.31Å; L302-R304 PolarHBondContact O-N 2.7Å; R304-A308 VanDerWaalsContact O-CB 3.24Å; R304-A308 WeakPolarHBondContact O-CB 3.28Å; R304-A308 PolarHBondContact O-N 3.19Å |
| 305 | K | 98.6 | Very high | 98.4 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -72.6 | -37.7 | 179.3 | -62.9 | 176.7 | 179 | -179.3 | 0 | 110.9 | N303 V309 M379 V381 S384 | N303-K305 PolarHBondContact O-N 2.78Å; N303-K305 VanDerWaalsContact O-N 3.17Å; N303-K305 WeakPolarHBondContact OD1-CB 3.34Å; N303-K305 PolarHBondContact OD1-N 3.32Å; K305-V309 PolarHBondContact O-N 2.71Å; K305-M379 HydrophobicContact CD-CE 3.83Å; K305-M379 HydrophobicContact CD-SD 4.45Å; K305-M379 PolarHBondContact NZ-SD 2.68Å; K305-V381 HydrophobicContact CB-CB 3.8Å; K305-V381 HydrophobicContact CB-CG1 4.02Å; K305-S384 PolarHBondContact NZ-OG 3.02Å |
| 306 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.6 | -44.9 | 176.1 | -178 | 0 | 0 | 0 | 0 | 110.5 | M274 S278 N303 A308 V309 D310 V381 F382 M407 | M274-V306 HydrophobicContact CE-CG1 4.04Å; M274-V306 HydrophobicContact CG-CG1 3.69Å; S278-V306 VanDerWaalsContact OG-CG1 3.26Å; S278-V306 WeakPolarHBondContact OG-CG1 3.46Å; N303-V306 HydrophobicContact CB-CB 4.2Å; N303-V306 HydrophobicContact CB-CG2 4.02Å; N303-V306 PolarHBondContact O-N 3.34Å; N303-V306 PolarHBondContact OD1-N 3.33Å; V306-A308 VanDerWaalsContact C-N 3.28Å; V306-A308 PolarHBondContact O-N 2.89Å; V306-V309 WeakPolarHBondContact O-CB 3.4Å; V306-V309 PolarHBondContact O-N 2.83Å; V306-D310 PolarHBondContact O-N 2.84Å; V306-V381 HydrophobicContact CG2-CB 4.14Å; V306-V381 HydrophobicContact CG2-CG2 3.51Å; V306-F382 HydrophobicContact CG2-CD1 4.33Å; V306-F382 HydrophobicContact CG2-CE1 3.85Å; V306-F382 HydrophobicContact CG2-CE2 4.44Å; V306-F382 HydrophobicContact CG2-CZ 3.91Å; V306-M407 HydrophobicContact CG1-CE 4.41Å; V306-M407 HydrophobicContact CG1-SD 4.12Å; V306-M407 HydrophobicContact CG2-SD 4.22Å |
| 307 | I | 98.9 | Very high | 98.4 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.1 | -42 | 173.8 | -67.1 | 164.9 | 0 | 0 | 0 | 111 | M32 A74 Y76 M274 L301 N303 V309 D310 Q311 | M32-I307 HydrophobicContact CE-CB 4.49Å; M32-I307 HydrophobicContact CE-CD1 3.99Å; M32-I307 HydrophobicContact CE-CG1 3.91Å; M32-I307 HydrophobicContact CE-CG2 3.77Å; M32-I307 HydrophobicContact SD-CG2 3.83Å; A74-I307 HydrophobicContact CB-CD1 3.96Å; Y76-I307 HydrophobicContact CE2-CD1 4.19Å; M274-I307 HydrophobicContact CE-CG1 4.06Å; L301-I307 WeakPolarHBondContact O-CD1 3.5Å; N303-I307 WeakPolarHBondContact O-CG1 3.31Å; N303-I307 PolarHBondContact O-N 3.36Å; I307-V309 VanDerWaalsContact C-N 3.26Å; I307-V309 PolarHBondContact O-N 3.47Å; I307-D310 WeakPolarHBondContact O-CB 3.41Å; I307-D310 PolarHBondContact O-N 2.89Å; I307-D310 VanDerWaalsContact O-N 3.15Å; I307-Q311 HydrophobicContact CG2-CG 3.85Å; I307-Q311 VanDerWaalsContact O-CB 3.32Å; I307-Q311 WeakPolarHBondContact O-CB 3.41Å; I307-Q311 WeakPolarHBondContact O-CG 3.42Å; I307-Q311 PolarHBondContact O-N 2.87Å |
| 308 | A | 98.7 | Very high | 98.4 | Very high | 60 Ų | 60 | 36.4 Ų | 36.4 | 50% | 0.496 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.4 | -31.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R304 V306 D312 | R304-A308 VanDerWaalsContact O-CB 3.24Å; R304-A308 WeakPolarHBondContact O-CB 3.28Å; R304-A308 PolarHBondContact O-N 3.19Å; V306-A308 VanDerWaalsContact C-N 3.28Å; V306-A308 PolarHBondContact O-N 2.89Å; A308-D312 PolarHBondContact O-N 2.92Å |
| 309 | V | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.3 | -44.8 | 172.2 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | I279 K305 V306 I307 K332 I334 A346 M407 T409 | I279-V309 HydrophobicContact CD1-CG1 4.45Å; K305-V309 PolarHBondContact O-N 2.71Å; V306-V309 WeakPolarHBondContact O-CB 3.4Å; V306-V309 PolarHBondContact O-N 2.83Å; I307-V309 VanDerWaalsContact C-N 3.26Å; I307-V309 PolarHBondContact O-N 3.47Å; V309-K332 HydrophobicContact CG1-CD 3.93Å; V309-K332 PolarHBondContact O-NZ 3.03Å; V309-I334 HydrophobicContact CG1-CG2 4.37Å; V309-I334 HydrophobicContact CG2-CD1 4.4Å; V309-A346 HydrophobicContact CB-CB 4.31Å; V309-A346 HydrophobicContact CG1-CB 3.42Å; V309-A346 VanDerWaalsContact CG1-CB 3.42Å; V309-A346 HydrophobicContact CG2-CB 3.85Å; V309-M407 HydrophobicContact CB-CE 3.73Å; V309-M407 HydrophobicContact CG1-CE 3.52Å; V309-M407 HydrophobicContact CG2-CE 3.89Å; V309-T409 HydrophobicContact CG2-CG2 3.73Å |
| 310 | D | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -52.2 | 177.2 | -179.2 | -109.7 | 0 | 0 | 0 | 112 | S278 S282 L284 V306 I307 D312 K332 | S278-D310 WeakPolarHBondContact CA-OD2 3.46Å; S282-D310 VanDerWaalsContact O-OD2 3.08Å; L284-D310 HydrophobicContact CD1-CB 3.78Å; L284-D310 WeakPolarHBondContact CD1-OD1 3.48Å; L284-D310 HydrophobicContact CG-CB 4.37Å; L284-D310 WeakPolarHBondContact CG-OD1 3.11Å; V306-D310 PolarHBondContact O-N 2.84Å; I307-D310 WeakPolarHBondContact O-CB 3.41Å; I307-D310 PolarHBondContact O-N 2.89Å; I307-D310 VanDerWaalsContact O-N 3.15Å; D310-D312 PolarHBondContact O-N 3.35Å; D310-K332 PolarHBondContact O-NZ 3.35Å; D310-K332 VanDerWaalsContact O-NZ 3.16Å |
| 311 | Q | 98.8 | Very high | 98.2 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 17.2 | -175.1 | -60.7 | -67.4 | -69.1 | 0 | 0 | 113.8 | T29 P30 M32 I307 | T29-Q311 PolarHBondContact OG1-OE1 3.02Å; P30-Q311 PolarHBondContact O-NE2 2.95Å; M32-Q311 HydrophobicContact SD-CG 3.73Å; I307-Q311 HydrophobicContact CG2-CG 3.85Å; I307-Q311 VanDerWaalsContact O-CB 3.32Å; I307-Q311 WeakPolarHBondContact O-CB 3.41Å; I307-Q311 WeakPolarHBondContact O-CG 3.42Å; I307-Q311 PolarHBondContact O-N 2.87Å |
| 312 | D | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | trans | -60.2 | 130 | -179.7 | -175.6 | -91.9 | 0 | 0 | 0 | 110.9 | A308 D310 L314 G315 I334 T335 | A308-D312 PolarHBondContact O-N 2.92Å; D310-D312 PolarHBondContact O-N 3.35Å; D312-L314 PolarHBondContact O-N 3.36Å; D312-L314 VanDerWaalsContact O-N 3.14Å; D312-L314 WeakPolarHBondContact OD1-CB 3.37Å; D312-L314 VanDerWaalsContact OD1-CG 3.26Å; D312-L314 WeakPolarHBondContact OD1-CG 3.05Å; D312-L314 PolarHBondContact OD1-N 2.87Å; D312-G315 PolarHBondContact O-N 2.92Å; D312-I334 HydrophobicContact CB-CB 4.33Å; D312-I334 HydrophobicContact CB-CG2 4.03Å; D312-T335 WeakPolarHBondContact OD2-CB 3.18Å; D312-T335 PolarHBondContact OD2-N 3.23Å; D312-T335 PolarHBondContact OD2-OG1 3.43Å | ||
| 313 | P | 97.3 | Very high | 97.7 | Very high | 90 Ų | 90 | 46.6 Ų | 46.6 | 58% | 0.584 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.3 | -171.4 | 28.5 | -37.3 | 0 | 0 | 0 | 114.2 | G315 T335 | P313-G315 PolarHBondContact O-N 3.29Å; P313-T335 HydrophobicContact CG-CG2 3.84Å |
| 314 | L | 96.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 50 Ų | 50 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26.4 | 169.7 | -60.7 | 178.3 | 0 | 0 | 0 | 111.2 | D312 I316 T335 V337 | D312-L314 PolarHBondContact O-N 3.36Å; D312-L314 VanDerWaalsContact O-N 3.14Å; D312-L314 WeakPolarHBondContact OD1-CB 3.37Å; D312-L314 VanDerWaalsContact OD1-CG 3.26Å; D312-L314 WeakPolarHBondContact OD1-CG 3.05Å; D312-L314 PolarHBondContact OD1-N 2.87Å; L314-I316 HydrophobicContact CB-CD1 4.02Å; L314-I316 HydrophobicContact CB-CG1 4.03Å; L314-I316 HydrophobicContact CD1-CD1 4.36Å; L314-I316 PolarHBondContact O-N 3.27Å; L314-T335 HydrophobicContact CD1-CG2 4.26Å; L314-T335 HydrophobicContact CD2-CG2 4.24Å; L314-T335 HydrophobicContact CG-CG2 3.84Å; L314-V337 HydrophobicContact CD1-CG2 4.41Å |
| 315 | G | 97.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | trans | 62.7 | 20.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G248 D312 P313 | G248-G315 WeakPolarHBondContact CA-O 3.27Å; D312-G315 PolarHBondContact O-N 2.92Å; P313-G315 PolarHBondContact O-N 3.29Å | ||
| 316 | I | 97.6 | Very high | 96.9 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 30% | 0.297 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 122.9 | -177.6 | -61.4 | 171.1 | 0 | 0 | 0 | 109.4 | F244 L314 G318 K332 P333 | F244-I316 HydrophobicContact CE2-CG2 4.07Å; F244-I316 HydrophobicContact CZ-CG2 4.44Å; L314-I316 HydrophobicContact CB-CD1 4.02Å; L314-I316 HydrophobicContact CB-CG1 4.03Å; L314-I316 HydrophobicContact CD1-CD1 4.36Å; L314-I316 PolarHBondContact O-N 3.27Å; I316-G318 PolarHBondContact O-N 3.48Å; I316-K332 WeakPolarHBondContact O-CE 3.25Å; I316-K332 WeakPolarHBondContact O-CG 3.43Å; I316-P333 HydrophobicContact CD1-CB 4.19Å; I316-P333 HydrophobicContact CG2-CG 4.07Å |
| 317 | M | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 131.5 | 171.3 | 172.9 | 176.1 | -178.7 | 0 | 0 | 111.1 | M236 I243 F244 V247 W280 | M236-M317 HydrophobicContact CE-CE 3.49Å; M236-M317 VanDerWaalsContact CE-CE 3.49Å; I243-M317 HydrophobicContact CB-SD 4.44Å; I243-M317 HydrophobicContact CG2-CE 4.44Å; I243-M317 HydrophobicContact CG2-SD 3.86Å; F244-M317 HydrophobicContact CB-SD 4.4Å; F244-M317 HydrophobicContact CD2-CB 4.12Å; F244-M317 HydrophobicContact CD2-CG 4.37Å; F244-M317 VanDerWaalsContact CD2-O 3.27Å; F244-M317 WeakPolarHBondContact CD2-O 3.25Å; F244-M317 WeakPolarHBondContact CE2-O 3.43Å; V247-M317 HydrophobicContact CB-CB 4.05Å; V247-M317 HydrophobicContact CB-SD 4.47Å; V247-M317 HydrophobicContact CG1-CB 3.88Å; V247-M317 HydrophobicContact CG2-SD 4.12Å; W280-M317 HydrophobicContact CB-CE 4.15Å; W280-M317 HydrophobicContact CB-CG 4.46Å; W280-M317 HydrophobicContact CG-CE 4.08Å; W280-M317 WeakPolarHBondContact O-CG 3.44Å |
| 318 | G | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -76 | 162.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I279 I316 L331 | I279-G318 WeakPolarHBondContact O-CA 3.38Å; I279-G318 PolarHBondContact O-N 2.87Å; I316-G318 PolarHBondContact O-N 3.48Å; G318-L331 CarbonylContact C-O 3.38Å; G318-L331 WeakPolarHBondContact CA-O 3.1Å |
| 319 | R | 97.7 | Very high | 96.8 | Very high | 112 Ų | 112 | 47.3 Ų | 47.3 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.8 | -172.7 | -75.6 | -174.9 | -70.7 | 156.7 | 2.8 | 112.3 | Q240 F244 V321 Y330 L331 | Q240-R319 VanDerWaalsContact OE1-CB 3.23Å; F244-R319 HydrophobicContact CB-CG 4.4Å; F244-R319 HydrophobicContact CD2-CG 3.52Å; F244-R319 HydrophobicContact CE2-CG 4.02Å; F244-R319 HydrophobicContact CG-CG 4.11Å; R319-V321 PolarHBondContact O-N 2.96Å; R319-Y330 CarbonylContact O-C 3.49Å; R319-Y330 WeakPolarHBondContact O-CA 3.44Å; R319-L331 PolarHBondContact N-O 2.83Å; R319-L331 PolarHBondContact O-N 2.85Å |
| 320 | L | 97.5 | Very high | 96.8 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 119.3 | 166.3 | 176.9 | 75 | 0 | 0 | 0 | 107.8 | D237 Q240 H322 Y330 | D237-L320 HydrophobicContact CB-CD2 4.16Å; Q240-L320 VanDerWaalsContact OE1-N 3.14Å; Q240-L320 PolarHBondContact OE1-O 2.86Å; L320-H322 WeakPolarHBondContact CD1-O 3.39Å; L320-Y330 HydrophobicContact CB-CD1 3.92Å; L320-Y330 HydrophobicContact CB-CE1 3.77Å; L320-Y330 HydrophobicContact CD1-CD1 4.35Å; L320-Y330 HydrophobicContact CD1-CD2 4.48Å; L320-Y330 HydrophobicContact CD1-CE1 4Å; L320-Y330 HydrophobicContact CD1-CE2 4.14Å; L320-Y330 HydrophobicContact CG-CE1 4.5Å |
| 321 | V | 95.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -31 | -178.7 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | R319 I329 L331 | R319-V321 PolarHBondContact O-N 2.96Å; V321-I329 HydrophobicContact CG2-CB 4.33Å; V321-I329 HydrophobicContact CG2-CG2 4.12Å; V321-I329 VanDerWaalsContact CG2-O 3.25Å; V321-I329 WeakPolarHBondContact CG2-O 3Å; V321-I329 PolarHBondContact N-O 2.84Å; V321-L331 HydrophobicContact CG1-CB 3.75Å; V321-L331 HydrophobicContact CG1-CD2 4.44Å; V321-L331 HydrophobicContact CG2-CB 4.02Å |
| 322 | H | 94.6 | Very high | 96.7 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 37% | 0.366 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 147.8 | 178.3 | -68.3 | -78.1 | 0 | 0 | 0 | 110.9 | L320 I329 Q367 | L320-H322 WeakPolarHBondContact CD1-O 3.39Å; H322-I329 HydrophobicContact CB-CB 4.09Å; H322-I329 HydrophobicContact CB-CD1 4.09Å; H322-I329 HydrophobicContact CB-CG1 4.24Å; H322-I329 PolarHBondContact N-O 3.01Å; H322-I329 PolarHBondContact O-N 3.09Å; H322-Q367 PolarHBondContact NE2-O 2.89Å |
| 323 | K | 94.7 | Very high | 96.6 | Very high | 120 Ų | 120 | 47.5 Ų | 47.5 | 52% | 0.522 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 115.4 | 170.5 | -170.4 | 173.3 | -176 | 172.4 | 0 | 108.7 | V327 | K323-V327 CarbonylContact C-O 3.51Å; K323-V327 WeakPolarHBondContact CA-O 3.27Å |
| 324 | V | 91.1 | Very high | 96.7 | Very high | 98 Ų | 98 | 43.6 Ų | 43.6 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 113 | -177.9 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | F326 V327 | V324-F326 PolarHBondContact O-N 2.86Å; V324-F326 VanDerWaalsContact O-N 3.16Å; V324-V327 PolarHBondContact N-O 3.38Å; V324-V327 PolarHBondContact O-N 3.1Å |
| 325 | S | 92.6 | Very high | 96.7 | Very high | 98 Ų | 98 | 43.3 Ų | 43.3 | 69% | 0.685 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | -119.2 | -173.6 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 326 | F | 95.4 | Very high | 96.6 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 45% | 0.452 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0.4 | 178.1 | -60.8 | -80.6 | 0 | 0 | 0 | 114.4 | V324 R352 H353 | V324-F326 PolarHBondContact O-N 2.86Å; V324-F326 VanDerWaalsContact O-N 3.16Å; F326-R352 WeakPolarHBondContact O-CB 3.49Å; F326-R352 WeakPolarHBondContact O-CG 3.23Å; F326-R352 PolarHBondContact O-N 3.25Å; F326-H353 HydrophobicContact CB-CB 3.91Å; F326-H353 HydrophobicContact CD1-CB 4.27Å; F326-H353 AromaticContact CD1-CD2 3.89Å; F326-H353 HydrophobicContact CD2-CB 4.36Å; F326-H353 AromaticContact CD2-CD2 3.55Å; F326-H353 AromaticContact CE1-CD2 3.85Å; F326-H353 AromaticContact CE2-CD2 3.51Å; F326-H353 HydrophobicContact CG-CB 3.92Å; F326-H353 AromaticContact CG-CD2 3.74Å; F326-H353 AromaticContact CZ-CD2 3.66Å |
| 327 | V | 97.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.085 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.8 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | K323 V324 I329 F350 A358 V360 | K323-V327 CarbonylContact C-O 3.51Å; K323-V327 WeakPolarHBondContact CA-O 3.27Å; V324-V327 PolarHBondContact N-O 3.38Å; V324-V327 PolarHBondContact O-N 3.1Å; V327-I329 HydrophobicContact CG1-CG1 4.25Å; V327-F350 CarbonylContact C-O 3.52Å; V327-F350 VanDerWaalsContact CA-O 3.28Å; V327-F350 WeakPolarHBondContact CA-O 3.08Å; V327-A358 HydrophobicContact CG2-CB 3.44Å; V327-A358 VanDerWaalsContact CG2-CB 3.44Å; V327-V360 HydrophobicContact CB-CG2 4.49Å; V327-V360 HydrophobicContact CG1-CG2 3.88Å; V327-V360 HydrophobicContact CG2-CG2 3.98Å |
| 328 | S | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 134.1 | 167.2 | -73.3 | 0 | 0 | 0 | 0 | 109.5 | Y330 F350 | S328-Y330 VanDerWaalsContact CB-CE2 3.49Å; S328-F350 PolarHBondContact N-O 3.33Å; S328-F350 PolarHBondContact O-N 3.21Å |
| 329 | I | 97.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.3 | 176.4 | -49.2 | -179.5 | 0 | 0 | 0 | 108.7 | V321 H322 V327 I347 V348 F349 I368 | V321-I329 HydrophobicContact CG2-CB 4.33Å; V321-I329 HydrophobicContact CG2-CG2 4.12Å; V321-I329 VanDerWaalsContact CG2-O 3.25Å; V321-I329 WeakPolarHBondContact CG2-O 3Å; V321-I329 PolarHBondContact N-O 2.84Å; H322-I329 HydrophobicContact CB-CB 4.09Å; H322-I329 HydrophobicContact CB-CD1 4.09Å; H322-I329 HydrophobicContact CB-CG1 4.24Å; H322-I329 PolarHBondContact N-O 3.01Å; H322-I329 PolarHBondContact O-N 3.09Å; V327-I329 HydrophobicContact CG1-CG1 4.25Å; I329-I347 HydrophobicContact CG2-CG2 3.86Å; I329-V348 CarbonylContact C-O 3.59Å; I329-V348 VanDerWaalsContact CA-O 3.28Å; I329-V348 WeakPolarHBondContact CA-O 3.49Å; I329-F349 HydrophobicContact CD1-CD1 4Å; I329-F349 HydrophobicContact CD1-CE1 3.92Å; I329-F349 HydrophobicContact CG1-CD1 3.88Å; I329-F349 HydrophobicContact CG1-CE1 4.22Å; I329-F349 HydrophobicContact CG2-CD1 4.16Å; I329-F349 HydrophobicContact CG2-CE1 4.02Å; I329-I368 HydrophobicContact CD1-CG2 4.48Å |
| 330 | Y | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.4 | 177.6 | -54.8 | -104.7 | 0 | 0 | 0 | 110.9 | I233 D237 L276 I279 W280 R319 L320 S328 I347 V348 F350 | I233-Y330 WeakPolarHBondContact CG2-OH 3.21Å; D237-Y330 WeakPolarHBondContact OD1-CE1 3.42Å; D237-Y330 PolarHBondContact OD1-OH 2.84Å; D237-Y330 VanDerWaalsContact OD1-OH 3.12Å; D237-Y330 PolarHBondContact OD2-OH 3.43Å; L276-Y330 HydrophobicContact CD1-CE2 4.43Å; L276-Y330 HydrophobicContact CD2-CD1 4.28Å; L276-Y330 HydrophobicContact CD2-CD2 3.51Å; L276-Y330 HydrophobicContact CD2-CE1 4.2Å; L276-Y330 HydrophobicContact CD2-CE2 3.41Å; L276-Y330 VanDerWaalsContact CD2-CE2 3.41Å; L276-Y330 HydrophobicContact CD2-CG 3.96Å; I279-Y330 HydrophobicContact CG2-CD1 4.47Å; I279-Y330 HydrophobicContact CG2-CG 4.4Å; W280-Y330 HydrophobicContact CZ2-CE1 4.17Å; W280-Y330 AromaticContact NE1-CD1 4Å; W280-Y330 AromaticContact NE1-CE1 3.97Å; R319-Y330 CarbonylContact O-C 3.49Å; R319-Y330 WeakPolarHBondContact O-CA 3.44Å; L320-Y330 HydrophobicContact CB-CD1 3.92Å; L320-Y330 HydrophobicContact CB-CE1 3.77Å; L320-Y330 HydrophobicContact CD1-CD1 4.35Å; L320-Y330 HydrophobicContact CD1-CD2 4.48Å; L320-Y330 HydrophobicContact CD1-CE1 4Å; L320-Y330 HydrophobicContact CD1-CE2 4.14Å; L320-Y330 HydrophobicContact CG-CE1 4.5Å; S328-Y330 VanDerWaalsContact CB-CE2 3.49Å; Y330-I347 VanDerWaalsContact O-CA 3.23Å; Y330-I347 WeakPolarHBondContact O-CA 3.47Å; Y330-I347 WeakPolarHBondContact O-CG2 3.06Å; Y330-V348 HydrophobicContact CD2-CB 4.3Å; Y330-V348 HydrophobicContact CD2-CG1 4.27Å; Y330-V348 PolarHBondContact N-O 3.23Å; Y330-V348 PolarHBondContact O-N 2.87Å; Y330-F350 HydrophobicContact CE2-CB 4.21Å; Y330-F350 HydrophobicContact CE2-CD1 4.49Å |
| 331 | L | 97.8 | Very high | 94.9 | Very high | 26 Ų | 26 | 60.6 Ų | 60.6 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.4 | 179.9 | -173.7 | 74.1 | 0 | 0 | 0 | 109.8 | G318 R319 V321 F345 I347 | G318-L331 CarbonylContact C-O 3.38Å; G318-L331 WeakPolarHBondContact CA-O 3.1Å; R319-L331 PolarHBondContact N-O 2.83Å; R319-L331 PolarHBondContact O-N 2.85Å; V321-L331 HydrophobicContact CG1-CB 3.75Å; V321-L331 HydrophobicContact CG1-CD2 4.44Å; V321-L331 HydrophobicContact CG2-CB 4.02Å; L331-F345 HydrophobicContact CD1-CB 3.71Å; L331-F345 HydrophobicContact CD1-CD1 3.64Å; L331-F345 HydrophobicContact CD1-CE1 4.44Å; L331-F345 HydrophobicContact CD1-CG 3.81Å; L331-F345 HydrophobicContact CD2-CD1 4Å; L331-F345 HydrophobicContact CD2-CE1 4.03Å; L331-F345 HydrophobicContact CG-CD1 3.77Å; L331-F345 HydrophobicContact CG-CE1 4.29Å; L331-F345 HydrophobicContact CG-CG 4.45Å; L331-I347 HydrophobicContact CD1-CD1 4.07Å; L331-I347 HydrophobicContact CD1-CG1 3.4Å |
| 332 | K | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.3 | 172.5 | -171.9 | -170.3 | -166.4 | 173.8 | 0 | 109.4 | S278 I279 V309 D310 I316 I334 F345 A346 | S278-K332 PolarHBondContact O-NZ 3.45Å; I279-K332 HydrophobicContact CD1-CB 3.71Å; I279-K332 VanDerWaalsContact O-CD 3.3Å; I279-K332 WeakPolarHBondContact O-CD 3.39Å; V309-K332 HydrophobicContact CG1-CD 3.93Å; V309-K332 PolarHBondContact O-NZ 3.03Å; D310-K332 PolarHBondContact O-NZ 3.35Å; D310-K332 VanDerWaalsContact O-NZ 3.16Å; I316-K332 WeakPolarHBondContact O-CE 3.25Å; I316-K332 WeakPolarHBondContact O-CG 3.43Å; K332-I334 HydrophobicContact CD-CG2 4Å; K332-I334 HydrophobicContact CG-CG2 4.15Å; K332-F345 CarbonylContact O-C 3.57Å; K332-F345 VanDerWaalsContact O-CA 3.3Å; K332-F345 WeakPolarHBondContact O-CA 3.36Å; K332-A346 HydrophobicContact CB-CB 4.36Å; K332-A346 PolarHBondContact N-O 3.44Å; K332-A346 PolarHBondContact O-N 3.36Å |
| 333 | P | 97.2 | Very high | 94.8 | Very high | 31 Ų | 31 | 59.2 Ų | 59.2 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 133.6 | 166.2 | -20.8 | 33.8 | 0 | 0 | 0 | 110.7 | I316 T343 F345 | I316-P333 HydrophobicContact CD1-CB 4.19Å; I316-P333 HydrophobicContact CG2-CG 4.07Å; P333-T343 HydrophobicContact CB-CG2 4.11Å; P333-F345 HydrophobicContact CB-CD1 4.4Å; P333-F345 HydrophobicContact CB-CE1 4.28Å; P333-F345 HydrophobicContact CG-CD1 4.4Å; P333-F345 HydrophobicContact CG-CE1 4.15Å |
| 334 | I | 98.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 165 | 178.7 | 60.1 | 170.8 | 0 | 0 | 0 | 110.6 | V309 D312 K332 T343 S344 A346 T409 | V309-I334 HydrophobicContact CG1-CG2 4.37Å; V309-I334 HydrophobicContact CG2-CD1 4.4Å; D312-I334 HydrophobicContact CB-CB 4.33Å; D312-I334 HydrophobicContact CB-CG2 4.03Å; K332-I334 HydrophobicContact CD-CG2 4Å; K332-I334 HydrophobicContact CG-CG2 4.15Å; I334-T343 PolarHBondContact O-OG1 3.26Å; I334-S344 PolarHBondContact N-O 3.19Å; I334-S344 CarbonylContact O-C 3.39Å; I334-S344 WeakPolarHBondContact O-CA 3.18Å; I334-S344 WeakPolarHBondContact O-CB 3.15Å; I334-S344 PolarHBondContact O-N 3.45Å; I334-A346 HydrophobicContact CD1-CB 4.14Å; I334-A346 HydrophobicContact CG2-CB 4.36Å; I334-T409 HydrophobicContact CD1-CG2 4.05Å |
| 335 | T | 97.2 | Very high | 95.3 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 155.4 | 167.4 | 61.5 | 0 | 0 | 0 | 0 | 112 | D312 P313 L314 | D312-T335 WeakPolarHBondContact OD2-CB 3.18Å; D312-T335 PolarHBondContact OD2-N 3.23Å; D312-T335 PolarHBondContact OD2-OG1 3.43Å; P313-T335 HydrophobicContact CG-CG2 3.84Å; L314-T335 HydrophobicContact CD1-CG2 4.26Å; L314-T335 HydrophobicContact CD2-CG2 4.24Å; L314-T335 HydrophobicContact CG-CG2 3.84Å |
| 336 | P | 96.3 | Very high | 95.6 | Very high | 71 Ų | 71 | 45.2 Ų | 45.2 | 46% | 0.461 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | cis | -74.5 | 156.2 | -3.3 | 31.7 | -36.3 | 0 | 0 | 0 | 113.2 | S344 | P336-S344 VanDerWaalsContact CD-OG 3.31Å; P336-S344 WeakPolarHBondContact CD-OG 3.49Å; P336-S344 WeakPolarHBondContact O-CB 3.4Å; P336-S344 PolarHBondContact O-N 3.04Å; P336-S344 PolarHBondContact O-OG 2.69Å |
| 337 | V | 94.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 40.3 Ų | 40.3 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.5 | 164 | -176.2 | 0 | 0 | 0 | 0 | 107 | L314 K342 | L314-V337 HydrophobicContact CD1-CG2 4.41Å; V337-K342 CarbonylContact C-O 3.59Å; V337-K342 WeakPolarHBondContact CA-O 3.42Å |
| 338 | N | 91.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -76 | 173.8 | -179.9 | 77 | 6.5 | 0 | 0 | 0 | 111.9 | Q340 G341 K342 V412 | N338-Q340 PolarHBondContact O-N 2.98Å; N338-Q340 WeakPolarHBondContact OD1-CA 3.23Å; N338-Q340 WeakPolarHBondContact OD1-CB 3.49Å; N338-Q340 PolarHBondContact OD1-N 3.45Å; N338-G341 PolarHBondContact O-N 3.16Å; N338-G341 PolarHBondContact OD1-N 2.99Å; N338-K342 PolarHBondContact N-O 2.7Å; N338-K342 WeakPolarHBondContact OD1-CB 3.4Å; N338-K342 PolarHBondContact OD1-N 3.32Å; N338-K342 PolarHBondContact OD1-O 2.94Å; N338-V412 HydrophobicContact CB-CG1 3.81Å; N338-V412 HydrophobicContact CB-CG2 4.31Å; N338-V412 WeakPolarHBondContact ND2-CG2 3.28Å |
| 339 | Q | 88.8 | Confident | 95.7 | Very high | 208 Ų | 208 | 39.6 Ų | 39.6 | 97% | 0.972 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.7 | -178.5 | -65.8 | 179.3 | -17.8 | 0 | 0 | 114.2 | G341 | Q339-G341 VanDerWaalsContact C-N 3.32Š|
| 340 | Q | 88.2 | Confident | 95.8 | Very high | 133 Ų | 133 | 39 Ų | 39 | 62% | 0.621 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 4.9 | 178 | -61 | 167 | -0.6 | 0 | 0 | 112.3 | N338 K342 | N338-Q340 PolarHBondContact O-N 2.98Å; N338-Q340 WeakPolarHBondContact OD1-CA 3.23Å; N338-Q340 WeakPolarHBondContact OD1-CB 3.49Å; N338-Q340 PolarHBondContact OD1-N 3.45Å; Q340-K342 VanDerWaalsContact C-N 3.29Å; Q340-K342 PolarHBondContact O-N 3.35Å |
| 341 | G | 90.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 39.1 Ų | 39.1 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 76.8 | 10.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N338 Q339 | N338-G341 PolarHBondContact O-N 3.16Å; N338-G341 PolarHBondContact OD1-N 2.99Å; Q339-G341 VanDerWaalsContact C-N 3.32Å |
| 342 | K | 91.8 | Very high | 95.8 | Very high | 79 Ų | 79 | 40.1 Ų | 40.1 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -80.9 | 124.6 | 174.3 | -63 | -65.9 | -175.1 | 175.6 | 0 | 109.3 | V337 N338 Q340 V412 | V337-K342 CarbonylContact C-O 3.59Å; V337-K342 WeakPolarHBondContact CA-O 3.42Å; N338-K342 PolarHBondContact N-O 2.7Å; N338-K342 WeakPolarHBondContact OD1-CB 3.4Å; N338-K342 PolarHBondContact OD1-N 3.32Å; N338-K342 PolarHBondContact OD1-O 2.94Å; Q340-K342 VanDerWaalsContact C-N 3.29Å; Q340-K342 PolarHBondContact O-N 3.35Å; K342-V412 HydrophobicContact CB-CG2 4.04Å |
| 343 | T | 94.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 41.7 Ų | 41.7 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 156.6 | -179 | -164.7 | 0 | 0 | 0 | 0 | 111.9 | P333 I334 F345 Y376 | P333-T343 HydrophobicContact CB-CG2 4.11Å; I334-T343 PolarHBondContact O-OG1 3.26Å; T343-F345 HydrophobicContact CG2-CD1 4.23Å; T343-F345 HydrophobicContact CG2-CD2 4.4Å; T343-F345 HydrophobicContact CG2-CE1 3.54Å; T343-F345 HydrophobicContact CG2-CE2 3.74Å; T343-F345 HydrophobicContact CG2-CZ 3.27Å; T343-F345 WeakPolarHBondContact O-CE2 3.34Å; T343-Y376 WeakPolarHBondContact O-CE1 3.35Å |
| 344 | S | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 167.6 | 163 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | I334 P336 A410 S411 V412 | I334-S344 PolarHBondContact N-O 3.19Å; I334-S344 CarbonylContact O-C 3.39Å; I334-S344 WeakPolarHBondContact O-CA 3.18Å; I334-S344 WeakPolarHBondContact O-CB 3.15Å; I334-S344 PolarHBondContact O-N 3.45Å; P336-S344 VanDerWaalsContact CD-OG 3.31Å; P336-S344 WeakPolarHBondContact CD-OG 3.49Å; P336-S344 WeakPolarHBondContact O-CB 3.4Å; P336-S344 PolarHBondContact O-N 3.04Å; P336-S344 PolarHBondContact O-OG 2.69Å; S344-A410 WeakPolarHBondContact CA-O 3.49Å; S344-A410 WeakPolarHBondContact CB-O 3.38Å; S344-S411 WeakPolarHBondContact OG-CA 3.24Å; S344-V412 PolarHBondContact OG-N 3.5Å |
| 345 | F | 98.4 | Very high | 95.7 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 10% | 0.096 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.7 | -178.4 | -62 | -83.6 | 0 | 0 | 0 | 112.9 | L331 K332 P333 T343 I347 L370 Y376 T409 A410 | L331-F345 HydrophobicContact CD1-CB 3.71Å; L331-F345 HydrophobicContact CD1-CD1 3.64Å; L331-F345 HydrophobicContact CD1-CE1 4.44Å; L331-F345 HydrophobicContact CD1-CG 3.81Å; L331-F345 HydrophobicContact CD2-CD1 4Å; L331-F345 HydrophobicContact CD2-CE1 4.03Å; L331-F345 HydrophobicContact CG-CD1 3.77Å; L331-F345 HydrophobicContact CG-CE1 4.29Å; L331-F345 HydrophobicContact CG-CG 4.45Å; K332-F345 CarbonylContact O-C 3.57Å; K332-F345 VanDerWaalsContact O-CA 3.3Å; K332-F345 WeakPolarHBondContact O-CA 3.36Å; P333-F345 HydrophobicContact CB-CD1 4.4Å; P333-F345 HydrophobicContact CB-CE1 4.28Å; P333-F345 HydrophobicContact CG-CD1 4.4Å; P333-F345 HydrophobicContact CG-CE1 4.15Å; T343-F345 HydrophobicContact CG2-CD1 4.23Å; T343-F345 HydrophobicContact CG2-CD2 4.4Å; T343-F345 HydrophobicContact CG2-CE1 3.54Å; T343-F345 HydrophobicContact CG2-CE2 3.74Å; T343-F345 HydrophobicContact CG2-CZ 3.27Å; T343-F345 WeakPolarHBondContact O-CE2 3.34Å; F345-I347 HydrophobicContact CB-CG1 4.49Å; F345-L370 HydrophobicContact CB-CD2 4.18Å; F345-L370 HydrophobicContact CD2-CD2 3.53Å; F345-L370 HydrophobicContact CE2-CD2 4.27Å; F345-L370 HydrophobicContact CG-CD2 4.16Å; F345-Y376 AromaticContact CD2-CE1 3.92Å; F345-Y376 HydrophobicContact CD2-CE1 3.92Å; F345-Y376 HydrophobicContact CE2-CE1 4.13Å; F345-T409 CarbonylContact O-C 3.4Å; F345-T409 WeakPolarHBondContact O-CA 3.33Å; F345-A410 PolarHBondContact N-O 3.31Å; F345-A410 PolarHBondContact O-N 3.23Å |
| 346 | A | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I279 V309 K332 I334 M407 I408 | I279-A346 HydrophobicContact CD1-CB 3.73Å; V309-A346 HydrophobicContact CB-CB 4.31Å; V309-A346 HydrophobicContact CG1-CB 3.42Å; V309-A346 VanDerWaalsContact CG1-CB 3.42Å; V309-A346 HydrophobicContact CG2-CB 3.85Å; K332-A346 HydrophobicContact CB-CB 4.36Å; K332-A346 PolarHBondContact N-O 3.44Å; K332-A346 PolarHBondContact O-N 3.36Å; I334-A346 HydrophobicContact CD1-CB 4.14Å; I334-A346 HydrophobicContact CG2-CB 4.36Å; A346-M407 HydrophobicContact CB-CE 4.41Å; A346-I408 CarbonylContact C-O 3.59Å; A346-I408 WeakPolarHBondContact CA-O 3.18Å |
| 347 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133 | 180 | -59.4 | 155.1 | 0 | 0 | 0 | 109 | I329 Y330 L331 F345 F349 I368 L370 M407 I408 A410 | I329-I347 HydrophobicContact CG2-CG2 3.86Å; Y330-I347 VanDerWaalsContact O-CA 3.23Å; Y330-I347 WeakPolarHBondContact O-CA 3.47Å; Y330-I347 WeakPolarHBondContact O-CG2 3.06Å; L331-I347 HydrophobicContact CD1-CD1 4.07Å; L331-I347 HydrophobicContact CD1-CG1 3.4Å; F345-I347 HydrophobicContact CB-CG1 4.49Å; I347-F349 HydrophobicContact CB-CE2 4.45Å; I347-F349 HydrophobicContact CG2-CD2 4.22Å; I347-F349 HydrophobicContact CG2-CE1 4.32Å; I347-F349 HydrophobicContact CG2-CE2 3.62Å; I347-F349 HydrophobicContact CG2-CZ 3.68Å; I347-I368 HydrophobicContact CD1-CD1 3.93Å; I347-L370 HydrophobicContact CD1-CD1 4.02Å; I347-L370 HydrophobicContact CD1-CD2 4.08Å; I347-L370 HydrophobicContact CD1-CG 4.15Å; I347-M407 CarbonylContact O-C 3.49Å; I347-M407 WeakPolarHBondContact O-CA 3.2Å; I347-I408 HydrophobicContact CB-CD1 4.08Å; I347-I408 HydrophobicContact CB-CG1 3.69Å; I347-I408 HydrophobicContact CD1-CD1 3.94Å; I347-I408 HydrophobicContact CD1-CG1 4.31Å; I347-I408 HydrophobicContact CG1-CG1 4.49Å; I347-I408 HydrophobicContact CG2-CG1 4.43Å; I347-I408 PolarHBondContact N-O 3.3Å; I347-I408 PolarHBondContact O-N 3.47Å; I347-A410 HydrophobicContact CD1-CB 4.48Å |
| 348 | V | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.1 | 172.7 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | A275 L276 I279 I329 Y330 F350 V405 I406 M407 | A275-V348 HydrophobicContact CB-CG1 4.5Å; A275-V348 HydrophobicContact CB-CG2 3.97Å; L276-V348 HydrophobicContact CD2-CB 4.32Å; L276-V348 HydrophobicContact CD2-CG1 3.75Å; I279-V348 HydrophobicContact CD1-CG2 3.97Å; I279-V348 HydrophobicContact CG1-CB 4.15Å; I279-V348 HydrophobicContact CG1-CG2 3.37Å; I329-V348 CarbonylContact C-O 3.59Å; I329-V348 VanDerWaalsContact CA-O 3.28Å; I329-V348 WeakPolarHBondContact CA-O 3.49Å; Y330-V348 HydrophobicContact CD2-CB 4.3Å; Y330-V348 HydrophobicContact CD2-CG1 4.27Å; Y330-V348 PolarHBondContact N-O 3.23Å; Y330-V348 PolarHBondContact O-N 2.87Å; V348-F350 HydrophobicContact CG1-CB 4.3Å; V348-V405 HydrophobicContact CG1-CB 4.23Å; V348-V405 HydrophobicContact CG1-CG1 3.76Å; V348-I406 WeakPolarHBondContact CA-O 3.3Å; V348-M407 HydrophobicContact CG2-CB 3.91Å; V348-M407 HydrophobicContact CG2-CG 3.63Å; V348-M407 HydrophobicContact CG2-SD 4.1Å |
| 349 | F | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.9 | 166.5 | -55 | -90.2 | 0 | 0 | 0 | 107.8 | I329 I347 V360 V362 I368 F396 V400 V405 I406 I408 | I329-F349 HydrophobicContact CD1-CD1 4Å; I329-F349 HydrophobicContact CD1-CE1 3.92Å; I329-F349 HydrophobicContact CG1-CD1 3.88Å; I329-F349 HydrophobicContact CG1-CE1 4.22Å; I329-F349 HydrophobicContact CG2-CD1 4.16Å; I329-F349 HydrophobicContact CG2-CE1 4.02Å; I347-F349 HydrophobicContact CB-CE2 4.45Å; I347-F349 HydrophobicContact CG2-CD2 4.22Å; I347-F349 HydrophobicContact CG2-CE1 4.32Å; I347-F349 HydrophobicContact CG2-CE2 3.62Å; I347-F349 HydrophobicContact CG2-CZ 3.68Å; F349-V360 HydrophobicContact CD1-CG1 3.76Å; F349-V360 HydrophobicContact CE1-CG1 3.99Å; F349-V362 HydrophobicContact CE1-CG2 4.27Å; F349-I368 HydrophobicContact CZ-CD1 4.16Å; F349-F396 HydrophobicContact CD2-CE1 4.3Å; F349-F396 HydrophobicContact CE1-CE1 4.28Å; F349-F396 HydrophobicContact CE2-CD1 4.32Å; F349-F396 AromaticContact CE2-CE1 3.48Å; F349-F396 HydrophobicContact CE2-CE1 3.48Å; F349-F396 VanDerWaalsContact CE2-CE1 3.48Å; F349-F396 HydrophobicContact CE2-CZ 4.06Å; F349-F396 AromaticContact CZ-CD1 3.86Å; F349-F396 HydrophobicContact CZ-CD1 3.86Å; F349-F396 AromaticContact CZ-CE1 3.47Å; F349-F396 HydrophobicContact CZ-CE1 3.47Å; F349-F396 VanDerWaalsContact CZ-CE1 3.47Å; F349-F396 HydrophobicContact CZ-CZ 4.42Å; F349-V400 HydrophobicContact CB-CG2 3.97Å; F349-V405 VanDerWaalsContact O-CA 3.26Å; F349-V405 WeakPolarHBondContact O-CA 3.28Å; F349-I406 HydrophobicContact CB-CB 4.47Å; F349-I406 HydrophobicContact CD2-CB 4.41Å; F349-I406 HydrophobicContact CD2-CG2 4.29Å; F349-I406 PolarHBondContact N-O 3.16Å; F349-I406 PolarHBondContact O-N 3.49Å; F349-I408 HydrophobicContact CE2-CD1 3.81Å; F349-I408 HydrophobicContact CE2-CG1 4.13Å; F349-I408 HydrophobicContact CZ-CD1 4.4Å |
| 350 | F | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.4 | -178.3 | 171.2 | -146.8 | 0 | 0 | 0 | 110.4 | W226 L230 I233 V272 L276 V327 S328 Y330 V348 R352 G404 V405 | W226-F350 AromaticContact CH2-CE2 3.93Å; W226-F350 HydrophobicContact CH2-CE2 3.93Å; W226-F350 AromaticContact CH2-CZ 3.75Å; W226-F350 HydrophobicContact CH2-CZ 3.75Å; W226-F350 HydrophobicContact CZ2-CE2 4.07Å; W226-F350 AromaticContact CZ2-CZ 3.83Å; W226-F350 HydrophobicContact CZ2-CZ 3.83Å; L230-F350 HydrophobicContact CD2-CE1 4.21Å; L230-F350 HydrophobicContact CD2-CZ 3.8Å; I233-F350 HydrophobicContact CD1-CE1 3.93Å; I233-F350 HydrophobicContact CD1-CZ 4.28Å; I233-F350 HydrophobicContact CG2-CE1 4.3Å; V272-F350 HydrophobicContact CB-CE2 4.35Å; V272-F350 HydrophobicContact CG1-CD1 4.42Å; V272-F350 HydrophobicContact CG1-CD2 3.74Å; V272-F350 HydrophobicContact CG1-CE1 4.27Å; V272-F350 HydrophobicContact CG1-CE2 3.62Å; V272-F350 HydrophobicContact CG1-CG 4.16Å; V272-F350 HydrophobicContact CG1-CZ 3.89Å; V272-F350 HydrophobicContact CG2-CD2 3.94Å; V272-F350 HydrophobicContact CG2-CE2 3.83Å; L276-F350 HydrophobicContact CD1-CD1 3.94Å; L276-F350 HydrophobicContact CD1-CE1 4.25Å; L276-F350 HydrophobicContact CD1-CG 4.43Å; V327-F350 CarbonylContact C-O 3.52Å; V327-F350 VanDerWaalsContact CA-O 3.28Å; V327-F350 WeakPolarHBondContact CA-O 3.08Å; S328-F350 PolarHBondContact N-O 3.33Å; S328-F350 PolarHBondContact O-N 3.21Å; Y330-F350 HydrophobicContact CE2-CB 4.21Å; Y330-F350 HydrophobicContact CE2-CD1 4.49Å; V348-F350 HydrophobicContact CG1-CB 4.3Å; F350-R352 HydrophobicContact CD1-CG 3.82Å; F350-R352 HydrophobicContact CE1-CG 3.47Å; F350-R352 VanDerWaalsContact CE1-CG 3.47Å; F350-R352 HydrophobicContact CE2-CG 4.25Å; F350-R352 HydrophobicContact CG-CG 4.38Å; F350-R352 HydrophobicContact CZ-CB 4.48Å; F350-R352 HydrophobicContact CZ-CG 3.71Å; F350-G404 WeakPolarHBondContact CD2-O 3.22Å; F350-V405 HydrophobicContact CB-CG1 3.88Å; F350-V405 HydrophobicContact CD2-CG1 3.95Å; F350-V405 HydrophobicContact CG-CG1 4.22Å |
| 351 | N | 98.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.011 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 112.7 | 173.2 | 177.7 | 17 | 0 | 0 | 0 | 110.4 | H353 D356 A358 V400 N401 T403 G404 | N351-H353 VanDerWaalsContact C-N 3.31Å; N351-H353 WeakPolarHBondContact OD1-CB 3.5Å; N351-H353 PolarHBondContact OD1-N 3.03Å; N351-D356 PolarHBondContact ND2-O 3.47Å; N351-A358 HydrophobicContact CB-CB 4.03Å; N351-A358 PolarHBondContact ND2-N 2.85Å; N351-V400 HydrophobicContact CB-CB 3.86Å; N351-V400 HydrophobicContact CB-CG1 3.54Å; N351-V400 PolarHBondContact ND2-O 2.92Å; N351-N401 WeakPolarHBondContact CB-O 3.28Å; N351-N401 PolarHBondContact ND2-O 3.23Å; N351-N401 VanDerWaalsContact ND2-O 3.09Å; N351-T403 VanDerWaalsContact O-CA 3.22Å; N351-T403 WeakPolarHBondContact O-CA 3.29Å; N351-T403 PolarHBondContact O-N 3.15Å; N351-T403 VanDerWaalsContact O-N 3.16Å; N351-G404 PolarHBondContact N-O 2.93Å; N351-G404 PolarHBondContact O-N 3.24Å |
| 352 | R | 97.8 | Very high | 97.1 | Very high | 47 Ų | 47 | 40.2 Ų | 40.2 | 18% | 0.177 | 21% | 0.213 | C | C | . | . | trans | -82 | -10.4 | 179 | -59.5 | -172.7 | 71.1 | 160.7 | -5.2 | 113.3 | D234 F326 F350 | D234-R352 IonicContact OD1-CZ 2.66Å; D234-R352 IonicContact OD1-NH1 3.09Å; D234-R352 PolarHBondContact OD1-NH1 2.83Å; D234-R352 IonicContact OD1-NH2 3.35Å; D234-R352 PolarHBondContact OD1-NH2 3.15Å; D234-R352 IonicContact OD2-NH2 2.68Å; D234-R352 PolarHBondContact OD2-NH2 3.06Å; F326-R352 WeakPolarHBondContact O-CB 3.49Å; F326-R352 WeakPolarHBondContact O-CG 3.23Å; F326-R352 PolarHBondContact O-N 3.25Å; F350-R352 HydrophobicContact CD1-CG 3.82Å; F350-R352 HydrophobicContact CE1-CG 3.47Å; F350-R352 VanDerWaalsContact CE1-CG 3.47Å; F350-R352 HydrophobicContact CE2-CG 4.25Å; F350-R352 HydrophobicContact CG-CG 4.38Å; F350-R352 HydrophobicContact CZ-CB 4.48Å; F350-R352 HydrophobicContact CZ-CG 3.71Å | ||
| 353 | H | 97.9 | Very high | 97.2 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | trans | -67 | 133.8 | -176.2 | -162.6 | -83.7 | 0 | 0 | 0 | 110.4 | F326 N351 T355 D356 P402 T403 | F326-H353 HydrophobicContact CB-CB 3.91Å; F326-H353 HydrophobicContact CD1-CB 4.27Å; F326-H353 AromaticContact CD1-CD2 3.89Å; F326-H353 HydrophobicContact CD2-CB 4.36Å; F326-H353 AromaticContact CD2-CD2 3.55Å; F326-H353 AromaticContact CE1-CD2 3.85Å; F326-H353 AromaticContact CE2-CD2 3.51Å; F326-H353 HydrophobicContact CG-CB 3.92Å; F326-H353 AromaticContact CG-CD2 3.74Å; F326-H353 AromaticContact CZ-CD2 3.66Å; N351-H353 VanDerWaalsContact C-N 3.31Å; N351-H353 WeakPolarHBondContact OD1-CB 3.5Å; N351-H353 PolarHBondContact OD1-N 3.03Å; H353-T355 PolarHBondContact CE1-OG1 3.25Å; H353-T355 PolarHBondContact ND1-N 3.25Å; H353-D356 PolarHBondContact CE1-N 2.93Å; H353-D356 IonicContact CE1-OD1 3.72Å; H353-D356 IonicContact CE1-OD2 3.24Å; H353-D356 PolarHBondContact CE1-OD2 3.08Å; H353-D356 VanDerWaalsContact CE1-OD2 3.24Å; H353-D356 WeakPolarHBondContact ND1-CB 3.18Å; H353-D356 PolarHBondContact ND1-N 2.76Å; H353-D356 IonicContact ND1-OD2 3.94Å; H353-D356 IonicContact NE2-OD2 3.72Å; H353-P402 CarbonylContact O-C 3.6Å; H353-P402 VanDerWaalsContact O-CA 3.3Å; H353-P402 WeakPolarHBondContact O-CA 3.42Å; H353-P402 WeakPolarHBondContact O-CB 3.37Å; H353-T403 PolarHBondContact O-N 3.2Å | ||
| 354 | P | 96.4 | Very high | 97.3 | Very high | 91 Ų | 91 | 42 Ų | 42 | 59% | 0.591 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -72.3 | -28.6 | -172.8 | 26.8 | -35.3 | 0 | 0 | 0 | 114.1 | P402 | P354-P402 WeakPolarHBondContact O-CB 3.38Š|
| 355 | T | 97.2 | Very high | 97.2 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 59% | 0.589 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -126 | -38.1 | -171.4 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | H353 P402 | H353-T355 PolarHBondContact CE1-OG1 3.25Å; H353-T355 PolarHBondContact ND1-N 3.25Å; T355-P402 WeakPolarHBondContact O-CG 3.16Å |
| 356 | D | 97.5 | Very high | 97.1 | Very high | 95 Ų | 95 | 45.4 Ų | 45.4 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -90.3 | 142.7 | -174.9 | -53.8 | -9.3 | 0 | 0 | 0 | 113.3 | N351 H353 | N351-D356 PolarHBondContact ND2-O 3.47Å; H353-D356 PolarHBondContact CE1-N 2.93Å; H353-D356 IonicContact CE1-OD1 3.72Å; H353-D356 IonicContact CE1-OD2 3.24Å; H353-D356 PolarHBondContact CE1-OD2 3.08Å; H353-D356 VanDerWaalsContact CE1-OD2 3.24Å; H353-D356 WeakPolarHBondContact ND1-CB 3.18Å; H353-D356 PolarHBondContact ND1-N 2.76Å; H353-D356 IonicContact ND1-OD2 3.94Å; H353-D356 IonicContact NE2-OD2 3.72Å |
| 357 | K | 97.9 | Very high | 96.8 | Very high | 135 Ų | 135 | 50.2 Ų | 50.2 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 143.7 | 170.2 | -65.4 | -177.7 | 177.7 | -177.7 | 0 | 109.6 | I399 V400 N401 P402 | K357-I399 HydrophobicContact CB-CG2 4.25Å; K357-I399 HydrophobicContact CD-CG2 4.07Å; K357-V400 WeakPolarHBondContact CA-O 3.48Å; K357-N401 WeakPolarHBondContact CE-OD1 3.37Å; K357-P402 HydrophobicContact CG-CG 4.47Å |
| 358 | A | 97.5 | Very high | 96.4 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | V327 N351 V360 I399 V400 | V327-A358 HydrophobicContact CG2-CB 3.44Å; V327-A358 VanDerWaalsContact CG2-CB 3.44Å; N351-A358 HydrophobicContact CB-CB 4.03Å; N351-A358 PolarHBondContact ND2-N 2.85Å; A358-V360 HydrophobicContact CB-CG2 4.44Å; A358-I399 WeakPolarHBondContact O-CA 3.28Å; A358-V400 HydrophobicContact CB-CB 4.43Å; A358-V400 PolarHBondContact N-O 2.84Å; A358-V400 PolarHBondContact O-N 2.93Å |
| 359 | I | 96.3 | Very high | 96 | Very high | 121 Ų | 121 | 51.8 Ų | 51.8 | 62% | 0.621 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 109.6 | 165.9 | -64.2 | 171.9 | 0 | 0 | 0 | 106.9 | H397 | I359-H397 WeakPolarHBondContact CG2-CE1 3.36Å |
| 360 | V | 95.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.7 | 179.7 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | V327 F349 A358 V362 H397 C398 V400 | V327-V360 HydrophobicContact CB-CG2 4.49Å; V327-V360 HydrophobicContact CG1-CG2 3.88Å; V327-V360 HydrophobicContact CG2-CG2 3.98Å; F349-V360 HydrophobicContact CD1-CG1 3.76Å; F349-V360 HydrophobicContact CE1-CG1 3.99Å; A358-V360 HydrophobicContact CB-CG2 4.44Å; V360-V362 HydrophobicContact CG1-CG2 4.49Å; V360-H397 WeakPolarHBondContact O-CA 3.39Å; V360-C398 PolarHBondContact N-O 3.48Å; V360-C398 PolarHBondContact O-N 2.87Å; V360-V400 HydrophobicContact CG2-CG2 3.93Å |
| 361 | T | 95.4 | Very high | 95.7 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.5 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 108.6 | F396 H397 | T361-F396 WeakPolarHBondContact CA-O 3.46Å; T361-H397 PolarHBondContact OG1-ND1 3.02Å |
| 362 | V | 94.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 112.4 | 172 | 179 | 0 | 0 | 0 | 0 | 106 | F349 V360 H364 I368 R395 F396 | F349-V362 HydrophobicContact CE1-CG2 4.27Å; V360-V362 HydrophobicContact CG1-CG2 4.49Å; V362-H364 VanDerWaalsContact C-N 3.32Å; V362-H364 WeakPolarHBondContact CG1-O 3.46Å; V362-H364 PolarHBondContact O-N 2.95Å; V362-I368 HydrophobicContact CG1-CD1 4.36Å; V362-I368 HydrophobicContact CG1-CG1 4.27Å; V362-I368 HydrophobicContact CG1-CG2 3.98Å; V362-I368 HydrophobicContact CG2-CD1 4.37Å; V362-I368 HydrophobicContact CG2-CG2 4.15Å; V362-R395 CarbonylContact O-C 3.6Å; V362-R395 WeakPolarHBondContact O-CA 3.33Å; V362-F396 HydrophobicContact CB-CB 4.3Å; V362-F396 HydrophobicContact CG2-CD1 4.49Å; V362-F396 PolarHBondContact N-O 2.88Å; V362-F396 PolarHBondContact O-N 2.88Å |
| 363 | D | 95.3 | Very high | 95.3 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -71 | -31.1 | -172.2 | -71.3 | -42.2 | 0 | 0 | 0 | 112.6 | R395 | D363-R395 WeakPolarHBondContact O-CG 3.4Å; D363-R395 IonicContact OD1-CZ 3.44Å; D363-R395 IonicContact OD1-NE 3.54Å; D363-R395 PolarHBondContact OD1-NE 3.29Å; D363-R395 VanDerWaalsContact OD1-NE 3.09Å; D363-R395 IonicContact OD1-NH2 3.56Å; D363-R395 PolarHBondContact OD1-NH2 2.87Å |
| 364 | H | 96.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -139.8 | 119.4 | 170.6 | -54.3 | -67.6 | 0 | 0 | 0 | 108.8 | V362 K366 Q367 D393 D394 | V362-H364 VanDerWaalsContact C-N 3.32Å; V362-H364 WeakPolarHBondContact CG1-O 3.46Å; V362-H364 PolarHBondContact O-N 2.95Å; H364-K366 HydrophobicContact CB-CD 4.46Å; H364-K366 HydrophobicContact CB-CG 3.98Å; H364-K366 PolarHBondContact O-N 3.25Å; H364-Q367 HydrophobicContact CB-CG 4.23Å; H364-Q367 WeakPolarHBondContact O-CB 3.26Å; H364-Q367 VanDerWaalsContact O-CG 3.32Å; H364-Q367 WeakPolarHBondContact O-CG 3.26Å; H364-Q367 PolarHBondContact O-N 3.31Å; H364-D393 PolarHBondContact ND1-O 3.05Å; H364-D394 WeakPolarHBondContact CA-O 3.32Å |
| 365 | V | 95.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -60.5 | -19.9 | -176.3 | -66.3 | 0 | 0 | 0 | 0 | 114.1 | Q367 I368 L370 L390 L391 P392 D394 F396 | V365-Q367 PolarHBondContact O-N 3.34Å; V365-I368 WeakPolarHBondContact O-CG1 3.07Å; V365-I368 PolarHBondContact O-N 2.89Å; V365-I368 VanDerWaalsContact O-N 3.08Å; V365-L370 HydrophobicContact CB-CB 4.02Å; V365-L370 HydrophobicContact CB-CD1 4.12Å; V365-L370 HydrophobicContact CB-CG 4.46Å; V365-L370 HydrophobicContact CG2-CB 4.01Å; V365-L370 WeakPolarHBondContact O-CB 3.35Å; V365-L370 PolarHBondContact O-N 3.33Å; V365-L390 HydrophobicContact CG1-CB 4.45Å; V365-L390 HydrophobicContact CG1-CD1 3.91Å; V365-L390 HydrophobicContact CG2-CB 4.25Å; V365-L391 WeakPolarHBondContact CG2-O 3.44Å; V365-P392 PolarHBondContact N-O 2.87Å; V365-D394 PolarHBondContact N-O 3.04Å; V365-F396 HydrophobicContact CG1-CB 3.64Å |
| 366 | K | 95.1 | Very high | 95.3 | Very high | 92 Ų | 92 | 53 Ų | 53 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -57.6 | -28.3 | 168.9 | 71.2 | -170.4 | -177.6 | -170.8 | 0 | 113.6 | H364 I368 G369 L370 E371 P392 D393 | H364-K366 HydrophobicContact CB-CD 4.46Å; H364-K366 HydrophobicContact CB-CG 3.98Å; H364-K366 PolarHBondContact O-N 3.25Å; K366-I368 PolarHBondContact O-N 2.99Å; K366-G369 PolarHBondContact O-N 2.82Å; K366-L370 WeakPolarHBondContact CA-O 3.47Å; K366-L370 PolarHBondContact N-O 3.12Å; K366-E371 HydrophobicContact CB-CG 4.35Å; K366-P392 HydrophobicContact CB-CB 4.05Å; K366-P392 WeakPolarHBondContact CB-O 3.28Å; K366-P392 HydrophobicContact CD-CB 4.34Å; K366-P392 WeakPolarHBondContact CG-O 3.42Å; K366-P392 PolarHBondContact N-O 3.21Å; K366-D393 VanDerWaalsContact CE-OD1 3.28Å; K366-D393 WeakPolarHBondContact CE-OD1 3.39Å; K366-D393 IonicContact NZ-OD1 2.79Å; K366-D393 PolarHBondContact NZ-OD1 2.94Å |
| 367 | Q | 93.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 52.5 Ų | 52.5 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -64 | -21.3 | 177.3 | -65.4 | 171.4 | -26.1 | 0 | 0 | 113.1 | H322 H364 V365 | H322-Q367 PolarHBondContact NE2-O 2.89Å; H364-Q367 HydrophobicContact CB-CG 4.23Å; H364-Q367 WeakPolarHBondContact O-CB 3.26Å; H364-Q367 VanDerWaalsContact O-CG 3.32Å; H364-Q367 WeakPolarHBondContact O-CG 3.26Å; H364-Q367 PolarHBondContact O-N 3.31Å; V365-Q367 PolarHBondContact O-N 3.34Å |
| 368 | I | 91.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -107.6 | 16.3 | 176.2 | 63.6 | 169.5 | 0 | 0 | 0 | 112.3 | I329 I347 F349 V362 V365 K366 L370 | I329-I368 HydrophobicContact CD1-CG2 4.48Å; I347-I368 HydrophobicContact CD1-CD1 3.93Å; F349-I368 HydrophobicContact CZ-CD1 4.16Å; V362-I368 HydrophobicContact CG1-CD1 4.36Å; V362-I368 HydrophobicContact CG1-CG1 4.27Å; V362-I368 HydrophobicContact CG1-CG2 3.98Å; V362-I368 HydrophobicContact CG2-CD1 4.37Å; V362-I368 HydrophobicContact CG2-CG2 4.15Å; V365-I368 WeakPolarHBondContact O-CG1 3.07Å; V365-I368 PolarHBondContact O-N 2.89Å; V365-I368 VanDerWaalsContact O-N 3.08Å; K366-I368 PolarHBondContact O-N 2.99Å; I368-L370 HydrophobicContact CG1-CG 4.47Å |
| 369 | G | 89.6 | Confident | 95.3 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | 1.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | K366 E371 | K366-G369 PolarHBondContact O-N 2.82Å; G369-E371 PolarHBondContact O-N 2.9Å; G369-E371 VanDerWaalsContact O-N 3.15Å |
| 370 | L | 94.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | trans | -85.7 | 82.9 | 177.8 | -59.5 | -168.8 | 0 | 0 | 0 | 111 | F345 I347 V365 K366 I368 Y376 A410 | F345-L370 HydrophobicContact CB-CD2 4.18Å; F345-L370 HydrophobicContact CD2-CD2 3.53Å; F345-L370 HydrophobicContact CE2-CD2 4.27Å; F345-L370 HydrophobicContact CG-CD2 4.16Å; I347-L370 HydrophobicContact CD1-CD1 4.02Å; I347-L370 HydrophobicContact CD1-CD2 4.08Å; I347-L370 HydrophobicContact CD1-CG 4.15Å; V365-L370 HydrophobicContact CB-CB 4.02Å; V365-L370 HydrophobicContact CB-CD1 4.12Å; V365-L370 HydrophobicContact CB-CG 4.46Å; V365-L370 HydrophobicContact CG2-CB 4.01Å; V365-L370 WeakPolarHBondContact O-CB 3.35Å; V365-L370 PolarHBondContact O-N 3.33Å; K366-L370 WeakPolarHBondContact CA-O 3.47Å; K366-L370 PolarHBondContact N-O 3.12Å; I368-L370 HydrophobicContact CG1-CG 4.47Å; L370-Y376 VanDerWaalsContact C-CE2 3.47Å; L370-Y376 HydrophobicContact CB-CD2 3.67Å; L370-Y376 HydrophobicContact CB-CE2 3.64Å; L370-Y376 HydrophobicContact CB-CG 4.46Å; L370-Y376 HydrophobicContact CD1-CD2 4.33Å; L370-Y376 HydrophobicContact CD1-CG 4.42Å; L370-Y376 HydrophobicContact CD2-CD1 4.12Å; L370-Y376 HydrophobicContact CD2-CD2 4.08Å; L370-Y376 HydrophobicContact CD2-CE1 4.13Å; L370-Y376 HydrophobicContact CD2-CE2 4.1Å; L370-Y376 HydrophobicContact CD2-CG 4.1Å; L370-Y376 HydrophobicContact CG-CD2 4.23Å; L370-Y376 HydrophobicContact CG-CE2 4.41Å; L370-A410 HydrophobicContact CD1-CB 3.79Å; L370-A410 HydrophobicContact CD2-CB 3.73Å; L370-A410 HydrophobicContact CG-CB 4.46Å | ||
| 371 | E | 94.7 | Very high | 95.5 | Very high | 118 Ų | 118 | 42.1 Ų | 42.1 | 55% | 0.551 | 22% | 0.223 | S | C | * | . | trans | -106.1 | -7.7 | -168.4 | -62.9 | 179 | 176.7 | 0 | 0 | 115.6 | K366 G369 P373 | K366-E371 HydrophobicContact CB-CG 4.35Å; G369-E371 PolarHBondContact O-N 2.9Å; G369-E371 VanDerWaalsContact O-N 3.15Å; E371-P373 WeakPolarHBondContact O-CD 3.07Å | ||
| 372 | S | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -53.5 | 125.3 | 178 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | L374 G375 Y376 P392 | S372-L374 PolarHBondContact O-N 3.34Å; S372-L374 PolarHBondContact OG-N 2.92Å; S372-G375 WeakPolarHBondContact O-CA 3.07Å; S372-G375 PolarHBondContact O-N 2.85Å; S372-Y376 VanDerWaalsContact CB-CE2 3.46Å; S372-Y376 WeakPolarHBondContact CB-OH 3.35Å; S372-Y376 PolarHBondContact N-OH 2.72Å; S372-P392 VanDerWaalsContact O-CD 3.26Å; S372-P392 WeakPolarHBondContact O-CD 3.44Å; S372-P392 WeakPolarHBondContact O-CG 3.41Å | ||
| 373 | P | 94.3 | Very high | 95.8 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 63% | 0.63 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25.9 | 175.5 | -23.8 | 33.9 | 0 | 0 | 0 | 113.2 | E371 G375 | E371-P373 WeakPolarHBondContact O-CD 3.07Å; P373-G375 VanDerWaalsContact C-N 3.26Å |
| 374 | L | 94.9 | Very high | 95.8 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 39% | 0.393 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -4.3 | 173.1 | -61.5 | -178.1 | 0 | 0 | 0 | 111.8 | S372 R389 A413 | S372-L374 PolarHBondContact O-N 3.34Å; S372-L374 PolarHBondContact OG-N 2.92Å; L374-R389 PolarHBondContact O-NE 3.01Å; L374-R389 PolarHBondContact O-NH2 3Å; L374-A413 HydrophobicContact CB-CB 4.38Å; L374-A413 WeakPolarHBondContact O-CB 3.49Å |
| 375 | G | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | 71 | -168.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S372 P373 L390 A413 | S372-G375 WeakPolarHBondContact O-CA 3.07Å; S372-G375 PolarHBondContact O-N 2.85Å; P373-G375 VanDerWaalsContact C-N 3.26Å; G375-L390 CarbonylContact C-O 3.45Å; G375-L390 WeakPolarHBondContact CA-O 3.25Å; G375-A413 WeakPolarHBondContact O-CB 3.45Å; G375-A413 PolarHBondContact O-N 2.88Å; G375-A413 VanDerWaalsContact O-N 3.12Å | ||
| 376 | Y | 98.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 137.2 | -172.9 | -63.2 | -97 | 0 | 0 | 0 | 111.1 | T343 F345 L370 S372 R389 L390 A410 S411 V412 | T343-Y376 WeakPolarHBondContact O-CE1 3.35Å; F345-Y376 AromaticContact CD2-CE1 3.92Å; F345-Y376 HydrophobicContact CD2-CE1 3.92Å; F345-Y376 HydrophobicContact CE2-CE1 4.13Å; L370-Y376 VanDerWaalsContact C-CE2 3.47Å; L370-Y376 HydrophobicContact CB-CD2 3.67Å; L370-Y376 HydrophobicContact CB-CE2 3.64Å; L370-Y376 HydrophobicContact CB-CG 4.46Å; L370-Y376 HydrophobicContact CD1-CD2 4.33Å; L370-Y376 HydrophobicContact CD1-CG 4.42Å; L370-Y376 HydrophobicContact CD2-CD1 4.12Å; L370-Y376 HydrophobicContact CD2-CD2 4.08Å; L370-Y376 HydrophobicContact CD2-CE1 4.13Å; L370-Y376 HydrophobicContact CD2-CE2 4.1Å; L370-Y376 HydrophobicContact CD2-CG 4.1Å; L370-Y376 HydrophobicContact CG-CD2 4.23Å; L370-Y376 HydrophobicContact CG-CE2 4.41Å; S372-Y376 VanDerWaalsContact CB-CE2 3.46Å; S372-Y376 WeakPolarHBondContact CB-OH 3.35Å; S372-Y376 PolarHBondContact N-OH 2.72Å; Y376-R389 CarbonylContact O-C 3.57Å; Y376-R389 VanDerWaalsContact O-CA 3.25Å; Y376-R389 WeakPolarHBondContact O-CA 3.47Å; Y376-L390 PolarHBondContact N-O 2.97Å; Y376-L390 PolarHBondContact O-N 2.91Å; Y376-A410 HydrophobicContact CD1-CB 4.09Å; Y376-A410 WeakPolarHBondContact CD1-O 3.21Å; Y376-A410 HydrophobicContact CG-CB 4.19Å; Y376-S411 CarbonylContact C-O 3.47Å; Y376-S411 VanDerWaalsContact CA-O 3.24Å; Y376-S411 WeakPolarHBondContact CA-O 3.36Å; Y376-V412 HydrophobicContact CD1-CB 4.13Å; Y376-V412 HydrophobicContact CE1-CB 3.9Å; Y376-V412 HydrophobicContact CE1-CG2 4.15Å |
| 377 | N | 97.9 | Very high | 95.9 | Very high | 83 Ų | 83 | 49.1 Ų | 49.1 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 117.4 | 168 | -66.6 | -45.8 | 0 | 0 | 0 | 109.3 | A410 S411 | N377-A410 WeakPolarHBondContact O-CA 3.28Å; N377-S411 PolarHBondContact N-O 3.24Å; N377-S411 PolarHBondContact O-N 3.16Å |
| 378 | V | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.7 | -171.1 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | S386 Y387 G388 L390 F396 I408 T409 A410 | V378-S386 PolarHBondContact O-OG 3.48Å; V378-Y387 HydrophobicContact CG1-CD2 3.96Å; V378-Y387 HydrophobicContact CG1-CG 4.37Å; V378-Y387 PolarHBondContact O-N 2.98Å; V378-G388 PolarHBondContact N-O 3.02Å; V378-L390 HydrophobicContact CB-CD1 4.21Å; V378-L390 HydrophobicContact CG2-CB 4.37Å; V378-L390 HydrophobicContact CG2-CD1 3.72Å; V378-L390 HydrophobicContact CG2-CG 3.97Å; V378-F396 HydrophobicContact CG1-CE2 4.41Å; V378-I408 HydrophobicContact CG1-CB 4.01Å; V378-I408 HydrophobicContact CG1-CD1 3.68Å; V378-I408 HydrophobicContact CG1-CG1 4.34Å; V378-I408 HydrophobicContact CG1-CG2 4.28Å; V378-T409 CarbonylContact C-O 3.57Å; V378-T409 VanDerWaalsContact CA-O 3.28Å; V378-T409 WeakPolarHBondContact CA-O 3.38Å; V378-A410 HydrophobicContact CG2-CB 4.05Å |
| 379 | M | 98.2 | Very high | 96.4 | Very high | 56 Ų | 56 | 51.4 Ų | 51.4 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 135.9 | 179.6 | 178.6 | -177.1 | 58.4 | 0 | 0 | 111.6 | K305 R385 I408 T409 | K305-M379 HydrophobicContact CD-CE 3.83Å; K305-M379 HydrophobicContact CD-SD 4.45Å; K305-M379 PolarHBondContact NZ-SD 2.68Å; M379-R385 CarbonylContact C-O 3.59Å; M379-R385 WeakPolarHBondContact CA-O 3.18Å; M379-I408 CarbonylContact O-C 3.52Å; M379-I408 WeakPolarHBondContact O-CA 3.22Å; M379-T409 PolarHBondContact N-O 3.09Å; M379-T409 PolarHBondContact O-N 3.47Å; M379-T409 PolarHBondContact O-OG1 2.79Å |
| 380 | D | 98.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.5 | 166.9 | 177.7 | -23.3 | 0 | 0 | 0 | 110.8 | F382 S383 S384 R385 Y387 M407 I408 | D380-F382 WeakPolarHBondContact OD1-CA 3.27Å; D380-F382 PolarHBondContact OD1-N 2.88Å; D380-S383 VanDerWaalsContact CB-OG 3.29Å; D380-S383 WeakPolarHBondContact CB-OG 3.26Å; D380-S383 PolarHBondContact OD1-N 2.97Å; D380-S383 PolarHBondContact OD2-OG 3.05Å; D380-S384 WeakPolarHBondContact O-CA 3.47Å; D380-S384 PolarHBondContact O-N 3Å; D380-R385 HydrophobicContact CB-CB 4.35Å; D380-R385 PolarHBondContact N-O 3.15Å; D380-Y387 HydrophobicContact CB-CE2 3.99Å; D380-M407 WeakPolarHBondContact CA-O 3.35Å; D380-I408 HydrophobicContact CB-CG2 4.43Å |
| 381 | V | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -21.6 | -175 | -59.1 | 0 | 0 | 0 | 0 | 114 | N303 K305 V306 M407 T409 | N303-V381 PolarHBondContact ND2-O 2.66Å; K305-V381 HydrophobicContact CB-CB 3.8Å; K305-V381 HydrophobicContact CB-CG1 4.02Å; V306-V381 HydrophobicContact CG2-CB 4.14Å; V306-V381 HydrophobicContact CG2-CG2 3.51Å; V381-M407 HydrophobicContact CG2-CB 3.65Å; V381-M407 HydrophobicContact CG2-CG 3.51Å; V381-M407 WeakPolarHBondContact CG2-O 3.46Å; V381-M407 HydrophobicContact CG2-SD 3.67Å; V381-M407 PolarHBondContact N-O 3.46Å; V381-T409 HydrophobicContact CG1-CG2 3.66Å |
| 382 | F | 98.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 50 Ų | 50 | 17% | 0.167 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -44 | 176.7 | -71.3 | -68.7 | 0 | 0 | 0 | 111.9 | K271 A275 I300 V306 D380 V405 M407 | K271-F382 HydrophobicContact CB-CE1 4.17Å; K271-F382 HydrophobicContact CB-CE2 4.18Å; K271-F382 HydrophobicContact CB-CZ 3.9Å; K271-F382 HydrophobicContact CD-CD1 4.13Å; K271-F382 HydrophobicContact CD-CD2 4.48Å; K271-F382 HydrophobicContact CD-CE1 4.41Å; K271-F382 HydrophobicContact CD-CG 4.18Å; K271-F382 HydrophobicContact CG-CD1 4.02Å; K271-F382 HydrophobicContact CG-CE1 3.82Å; K271-F382 HydrophobicContact CG-CE2 4.5Å; K271-F382 HydrophobicContact CG-CG 4.46Å; K271-F382 HydrophobicContact CG-CZ 4.07Å; A275-F382 HydrophobicContact CB-CE2 4.12Å; A275-F382 HydrophobicContact CB-CZ 4.28Å; I300-F382 HydrophobicContact CG2-CE1 4.37Å; V306-F382 HydrophobicContact CG2-CD1 4.33Å; V306-F382 HydrophobicContact CG2-CE1 3.85Å; V306-F382 HydrophobicContact CG2-CE2 4.44Å; V306-F382 HydrophobicContact CG2-CZ 3.91Å; D380-F382 WeakPolarHBondContact OD1-CA 3.27Å; D380-F382 PolarHBondContact OD1-N 2.88Å; F382-V405 HydrophobicContact CE2-CG2 4.01Å; F382-M407 HydrophobicContact CD2-CB 4.09Å; F382-M407 HydrophobicContact CE2-CB 3.85Å; F382-M407 HydrophobicContact CE2-SD 4.39Å |
| 383 | S | 96.9 | Very high | 97.2 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -13.3 | -178.7 | 69 | 0 | 0 | 0 | 0 | 113.6 | D380 R385 | D380-S383 VanDerWaalsContact CB-OG 3.29Å; D380-S383 WeakPolarHBondContact CB-OG 3.26Å; D380-S383 PolarHBondContact OD1-N 2.97Å; D380-S383 PolarHBondContact OD2-OG 3.05Å; S383-R385 PolarHBondContact O-N 3.05Å; S383-R385 VanDerWaalsContact O-N 3.17Å; S383-R385 VanDerWaalsContact OG-CB 3.28Å; S383-R385 WeakPolarHBondContact OG-CB 3.49Å; S383-R385 PolarHBondContact OG-N 3.08Å |
| 384 | S | 95.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 52.8 Ų | 52.8 | 47% | 0.469 | 28% | 0.28 | S | S | . | . | trans | 58.8 | 15.5 | -169.7 | -58.6 | 0 | 0 | 0 | 0 | 114.3 | K305 D380 S386 | K305-S384 PolarHBondContact NZ-OG 3.02Å; D380-S384 WeakPolarHBondContact O-CA 3.47Å; D380-S384 PolarHBondContact O-N 3Å; S384-S386 PolarHBondContact O-N 3.49Å | ||
| 385 | R | 97.1 | Very high | 97.5 | Very high | 155 Ų | 155 | 57.1 Ų | 57.1 | 59% | 0.585 | 29% | 0.291 | S | S | * | . | trans | -69 | 125.3 | 174.2 | 178.6 | -179.6 | 176.5 | 179.5 | 0.2 | 109.8 | M379 D380 S383 | M379-R385 CarbonylContact C-O 3.59Å; M379-R385 WeakPolarHBondContact CA-O 3.18Å; D380-R385 HydrophobicContact CB-CB 4.35Å; D380-R385 PolarHBondContact N-O 3.15Å; S383-R385 PolarHBondContact O-N 3.05Å; S383-R385 VanDerWaalsContact O-N 3.17Å; S383-R385 VanDerWaalsContact OG-CB 3.28Å; S383-R385 WeakPolarHBondContact OG-CB 3.49Å; S383-R385 PolarHBondContact OG-N 3.08Å | ||
| 386 | S | 97 | Very high | 97.5 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 58% | 0.58 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 141.5 | 166.7 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | V378 S384 G388 | V378-S386 PolarHBondContact O-OG 3.48Å; S384-S386 PolarHBondContact O-N 3.49Å; S386-G388 PolarHBondContact OG-N 2.66Å; S386-G388 VanDerWaalsContact OG-N 3.09Å |
| 387 | Y | 96.7 | Very high | 97.4 | Very high | 43 Ų | 43 | 61.9 Ų | 61.9 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 6.7 | 168.6 | -65.4 | -88.2 | 0 | 0 | 0 | 112.1 | V378 D380 F396 I408 | V378-Y387 HydrophobicContact CG1-CD2 3.96Å; V378-Y387 HydrophobicContact CG1-CG 4.37Å; V378-Y387 PolarHBondContact O-N 2.98Å; D380-Y387 HydrophobicContact CB-CE2 3.99Å; Y387-F396 HydrophobicContact CD1-CD2 4.4Å; Y387-F396 AromaticContact CD1-CE2 3.75Å; Y387-F396 HydrophobicContact CD1-CE2 3.75Å; Y387-F396 HydrophobicContact CD2-CE2 4.03Å; Y387-F396 AromaticContact CE1-CE2 3.89Å; Y387-F396 HydrophobicContact CE1-CE2 3.89Å; Y387-F396 HydrophobicContact CE1-CZ 4.34Å; Y387-F396 HydrophobicContact CE2-CE2 4.15Å; Y387-F396 HydrophobicContact CE2-CZ 4.41Å; Y387-F396 AromaticContact CG-CE2 3.81Å; Y387-F396 HydrophobicContact CG-CE2 3.81Å; Y387-I408 HydrophobicContact CD2-CG2 4.38Å; Y387-I408 HydrophobicContact CE2-CG2 3.93Å |
| 388 | G | 96.6 | Very high | 97.3 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.9 | -162.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | V378 S386 | V378-G388 PolarHBondContact N-O 3.02Å; S386-G388 PolarHBondContact OG-N 2.66Å; S386-G388 VanDerWaalsContact OG-N 3.09Å |
| 389 | R | 97.7 | Very high | 97.2 | Very high | 127 Ų | 127 | 62.4 Ų | 62.4 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.4 | 176.9 | -174.5 | -178.6 | -176.7 | 175.1 | 4.4 | 109.1 | L374 Y376 | L374-R389 PolarHBondContact O-NE 3.01Å; L374-R389 PolarHBondContact O-NH2 3Å; Y376-R389 CarbonylContact O-C 3.57Å; Y376-R389 VanDerWaalsContact O-CA 3.25Å; Y376-R389 WeakPolarHBondContact O-CA 3.47Å |
| 390 | L | 97.9 | Very high | 97.2 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.2 | 177.1 | -57.5 | -179.4 | 0 | 0 | 0 | 109.9 | V365 G375 Y376 V378 D394 F396 | V365-L390 HydrophobicContact CG1-CB 4.45Å; V365-L390 HydrophobicContact CG1-CD1 3.91Å; V365-L390 HydrophobicContact CG2-CB 4.25Å; G375-L390 CarbonylContact C-O 3.45Å; G375-L390 WeakPolarHBondContact CA-O 3.25Å; Y376-L390 PolarHBondContact N-O 2.97Å; Y376-L390 PolarHBondContact O-N 2.91Å; V378-L390 HydrophobicContact CB-CD1 4.21Å; V378-L390 HydrophobicContact CG2-CB 4.37Å; V378-L390 HydrophobicContact CG2-CD1 3.72Å; V378-L390 HydrophobicContact CG2-CG 3.97Å; L390-D394 HydrophobicContact CB-CB 4.44Å; L390-D394 HydrophobicContact CD2-CB 4.33Å; L390-F396 HydrophobicContact CD1-CB 4.19Å; L390-F396 HydrophobicContact CD1-CD2 3.79Å; L390-F396 HydrophobicContact CD1-CG 4.39Å |
| 391 | L | 98 | Very high | 97.2 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | trans | -81.8 | 159.9 | 170 | -62.3 | 175.6 | 0 | 0 | 0 | 110.5 | V365 D393 D394 | V365-L391 WeakPolarHBondContact CG2-O 3.44Å; L391-D393 PolarHBondContact O-N 3.2Å; L391-D394 WeakPolarHBondContact CB-OD2 3.21Å; L391-D394 PolarHBondContact N-OD2 2.96Å; L391-D394 WeakPolarHBondContact O-CB 3.43Å; L391-D394 PolarHBondContact O-N 3.31Å | ||
| 392 | P | 97.2 | Very high | 97.3 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 14% | 0.143 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -33.2 | -174.2 | -32.9 | 39.1 | 0 | 0 | 0 | 115.9 | V365 K366 S372 | V365-P392 PolarHBondContact N-O 2.87Å; K366-P392 HydrophobicContact CB-CB 4.05Å; K366-P392 WeakPolarHBondContact CB-O 3.28Å; K366-P392 HydrophobicContact CD-CB 4.34Å; K366-P392 WeakPolarHBondContact CG-O 3.42Å; K366-P392 PolarHBondContact N-O 3.21Å; S372-P392 VanDerWaalsContact O-CD 3.26Å; S372-P392 WeakPolarHBondContact O-CD 3.44Å; S372-P392 WeakPolarHBondContact O-CG 3.41Å |
| 393 | D | 97.8 | Very high | 97.3 | Very high | 93 Ų | 93 | 62.2 Ų | 62.2 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -2.5 | -177.9 | -64.3 | -44.7 | 0 | 0 | 0 | 113.8 | H364 K366 L391 | H364-D393 PolarHBondContact ND1-O 3.05Å; K366-D393 VanDerWaalsContact CE-OD1 3.28Å; K366-D393 WeakPolarHBondContact CE-OD1 3.39Å; K366-D393 IonicContact NZ-OD1 2.79Å; K366-D393 PolarHBondContact NZ-OD1 2.94Å; L391-D393 PolarHBondContact O-N 3.2Å |
| 394 | D | 98 | Very high | 97.3 | Very high | 61 Ų | 61 | 59 Ų | 59 | 33% | 0.326 | 30% | 0.296 | S | S | . | . | trans | -70.3 | 149.6 | 177.8 | -70.4 | -20.5 | 0 | 0 | 0 | 111.4 | H364 V365 L390 L391 | H364-D394 WeakPolarHBondContact CA-O 3.32Å; V365-D394 PolarHBondContact N-O 3.04Å; L390-D394 HydrophobicContact CB-CB 4.44Å; L390-D394 HydrophobicContact CD2-CB 4.33Å; L391-D394 WeakPolarHBondContact CB-OD2 3.21Å; L391-D394 PolarHBondContact N-OD2 2.96Å; L391-D394 WeakPolarHBondContact O-CB 3.43Å; L391-D394 PolarHBondContact O-N 3.31Å | ||
| 395 | R | 97.1 | Very high | 97.5 | Very high | 167 Ų | 167 | 56.3 Ų | 56.3 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | trans | -81.7 | 142.3 | 173.1 | -63.5 | -175.3 | 83.7 | -168.1 | 7.7 | 110.6 | V362 D363 | V362-R395 CarbonylContact O-C 3.6Å; V362-R395 WeakPolarHBondContact O-CA 3.33Å; D363-R395 WeakPolarHBondContact O-CG 3.4Å; D363-R395 IonicContact OD1-CZ 3.44Å; D363-R395 IonicContact OD1-NE 3.54Å; D363-R395 PolarHBondContact OD1-NE 3.29Å; D363-R395 VanDerWaalsContact OD1-NE 3.09Å; D363-R395 IonicContact OD1-NH2 3.56Å; D363-R395 PolarHBondContact OD1-NH2 2.87Å | ||
| 396 | F | 96.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.1 | 168.5 | 176.1 | -98.8 | 0 | 0 | 0 | 110.9 | F349 T361 V362 V365 V378 Y387 L390 C398 I408 | F349-F396 HydrophobicContact CD2-CE1 4.3Å; F349-F396 HydrophobicContact CE1-CE1 4.28Å; F349-F396 HydrophobicContact CE2-CD1 4.32Å; F349-F396 AromaticContact CE2-CE1 3.48Å; F349-F396 HydrophobicContact CE2-CE1 3.48Å; F349-F396 VanDerWaalsContact CE2-CE1 3.48Å; F349-F396 HydrophobicContact CE2-CZ 4.06Å; F349-F396 AromaticContact CZ-CD1 3.86Å; F349-F396 HydrophobicContact CZ-CD1 3.86Å; F349-F396 AromaticContact CZ-CE1 3.47Å; F349-F396 HydrophobicContact CZ-CE1 3.47Å; F349-F396 VanDerWaalsContact CZ-CE1 3.47Å; F349-F396 HydrophobicContact CZ-CZ 4.42Å; T361-F396 WeakPolarHBondContact CA-O 3.46Å; V362-F396 HydrophobicContact CB-CB 4.3Å; V362-F396 HydrophobicContact CG2-CD1 4.49Å; V362-F396 PolarHBondContact N-O 2.88Å; V362-F396 PolarHBondContact O-N 2.88Å; V365-F396 HydrophobicContact CG1-CB 3.64Å; V378-F396 HydrophobicContact CG1-CE2 4.41Å; Y387-F396 HydrophobicContact CD1-CD2 4.4Å; Y387-F396 AromaticContact CD1-CE2 3.75Å; Y387-F396 HydrophobicContact CD1-CE2 3.75Å; Y387-F396 HydrophobicContact CD2-CE2 4.03Å; Y387-F396 AromaticContact CE1-CE2 3.89Å; Y387-F396 HydrophobicContact CE1-CE2 3.89Å; Y387-F396 HydrophobicContact CE1-CZ 4.34Å; Y387-F396 HydrophobicContact CE2-CE2 4.15Å; Y387-F396 HydrophobicContact CE2-CZ 4.41Å; Y387-F396 AromaticContact CG-CE2 3.81Å; Y387-F396 HydrophobicContact CG-CE2 3.81Å; L390-F396 HydrophobicContact CD1-CB 4.19Å; L390-F396 HydrophobicContact CD1-CD2 3.79Å; L390-F396 HydrophobicContact CD1-CG 4.39Å; F396-C398 HydrophobicContact CE1-CB 3.91Å; F396-C398 HydrophobicContact CZ-CB 3.92Å; F396-I408 HydrophobicContact CE1-CD1 4.48Å; F396-I408 HydrophobicContact CE2-CD1 4.32Å; F396-I408 HydrophobicContact CZ-CD1 4.05Å; F396-I408 HydrophobicContact CZ-CG2 4.33Å |
| 397 | H | 95.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 46.1 Ų | 46.1 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 132.1 | -178.4 | -179.9 | 89.6 | 0 | 0 | 0 | 111.2 | I359 V360 T361 | I359-H397 WeakPolarHBondContact CG2-CE1 3.36Å; V360-H397 WeakPolarHBondContact O-CA 3.39Å; T361-H397 PolarHBondContact OG1-ND1 3.02Å |
| 398 | C | 96.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.9 | 171.3 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | V360 F396 I406 | V360-C398 PolarHBondContact N-O 3.48Å; V360-C398 PolarHBondContact O-N 2.87Å; F396-C398 HydrophobicContact CE1-CB 3.91Å; F396-C398 HydrophobicContact CZ-CB 3.92Å; C398-I406 HydrophobicContact CB-CG1 4.37Å; C398-I406 HydrophobicContact CB-CG2 4.36Å |
| 399 | I | 97.1 | Very high | 97.8 | Very high | 91 Ų | 91 | 43.5 Ų | 43.5 | 47% | 0.467 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.9 | 174.6 | -59.3 | 171.8 | 0 | 0 | 0 | 106.9 | K357 A358 | K357-I399 HydrophobicContact CB-CG2 4.25Å; K357-I399 HydrophobicContact CD-CG2 4.07Å; A358-I399 WeakPolarHBondContact O-CA 3.28Å |
| 400 | V | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.4 | -178.6 | -167.2 | 0 | 0 | 0 | 0 | 109 | F349 N351 K357 A358 V360 G404 I406 | F349-V400 HydrophobicContact CB-CG2 3.97Å; N351-V400 HydrophobicContact CB-CB 3.86Å; N351-V400 HydrophobicContact CB-CG1 3.54Å; N351-V400 PolarHBondContact ND2-O 2.92Å; K357-V400 WeakPolarHBondContact CA-O 3.48Å; A358-V400 HydrophobicContact CB-CB 4.43Å; A358-V400 PolarHBondContact N-O 2.84Å; A358-V400 PolarHBondContact O-N 2.93Å; V360-V400 HydrophobicContact CG2-CG2 3.93Å; V400-G404 WeakPolarHBondContact CG1-O 2.92Å; V400-I406 HydrophobicContact CG2-CB 4.31Å; V400-I406 HydrophobicContact CG2-CG1 3.92Å |
| 401 | N | 98.5 | Very high | 97.8 | Very high | 59 Ų | 59 | 38.7 Ų | 38.7 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | trans | -59.7 | 158.8 | 177.5 | -80.6 | -11.3 | 0 | 0 | 0 | 112.2 | D268 N351 K357 T403 G404 | D268-N401 PolarHBondContact OD2-ND2 2.9Å; D268-N401 VanDerWaalsContact OD2-ND2 3.15Å; N351-N401 WeakPolarHBondContact CB-O 3.28Å; N351-N401 PolarHBondContact ND2-O 3.23Å; N351-N401 VanDerWaalsContact ND2-O 3.09Å; K357-N401 WeakPolarHBondContact CE-OD1 3.37Å; N401-T403 PolarHBondContact O-N 2.86Å; N401-G404 PolarHBondContact O-N 2.87Å; N401-G404 VanDerWaalsContact O-N 3.08Å | ||
| 402 | P | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 17% | 0.169 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 136.6 | 174.6 | -13.1 | 27.7 | 0 | 0 | 0 | 109.9 | H353 P354 T355 K357 G404 | H353-P402 CarbonylContact O-C 3.6Å; H353-P402 VanDerWaalsContact O-CA 3.3Å; H353-P402 WeakPolarHBondContact O-CA 3.42Å; H353-P402 WeakPolarHBondContact O-CB 3.37Å; P354-P402 WeakPolarHBondContact O-CB 3.38Å; T355-P402 WeakPolarHBondContact O-CG 3.16Å; K357-P402 HydrophobicContact CG-CG 4.47Å; P402-G404 PolarHBondContact O-N 3.09Å |
| 403 | T | 98.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 29.9 | -173.9 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | W226 D268 Q269 V272 N351 H353 N401 | W226-T403 HydrophobicContact CZ2-CG2 4.23Å; D268-T403 CarbonylContact C-O 3.59Å; Q269-T403 PolarHBondContact N-O 2.95Å; V272-T403 VanDerWaalsContact CG2-O 3.23Å; V272-T403 WeakPolarHBondContact CG2-O 3.45Å; N351-T403 VanDerWaalsContact O-CA 3.22Å; N351-T403 WeakPolarHBondContact O-CA 3.29Å; N351-T403 PolarHBondContact O-N 3.15Å; N351-T403 VanDerWaalsContact O-N 3.16Å; H353-T403 PolarHBondContact O-N 3.2Å; N401-T403 PolarHBondContact O-N 2.86Å |
| 404 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -122.5 | 174.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F350 N351 V400 N401 P402 | F350-G404 WeakPolarHBondContact CD2-O 3.22Å; N351-G404 PolarHBondContact N-O 2.93Å; N351-G404 PolarHBondContact O-N 3.24Å; V400-G404 WeakPolarHBondContact CG1-O 2.92Å; N401-G404 PolarHBondContact O-N 2.87Å; N401-G404 VanDerWaalsContact O-N 3.08Å; P402-G404 PolarHBondContact O-N 3.09Å | ||
| 405 | V | 98.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 149.5 | 178.6 | -73.8 | 0 | 0 | 0 | 0 | 112.4 | K271 V272 A275 V348 F349 F350 F382 | K271-V405 HydrophobicContact CB-CG2 3.81Å; V272-V405 HydrophobicContact CB-CG1 3.95Å; V272-V405 HydrophobicContact CG1-CG1 3.94Å; V272-V405 HydrophobicContact CG2-CB 4.34Å; V272-V405 HydrophobicContact CG2-CG1 3.59Å; V272-V405 HydrophobicContact CG2-CG2 4.22Å; A275-V405 HydrophobicContact CB-CG2 4Å; V348-V405 HydrophobicContact CG1-CB 4.23Å; V348-V405 HydrophobicContact CG1-CG1 3.76Å; F349-V405 VanDerWaalsContact O-CA 3.26Å; F349-V405 WeakPolarHBondContact O-CA 3.28Å; F350-V405 HydrophobicContact CB-CG1 3.88Å; F350-V405 HydrophobicContact CD2-CG1 3.95Å; F350-V405 HydrophobicContact CG-CG1 4.22Å; F382-V405 HydrophobicContact CE2-CG2 4.01Å |
| 406 | I | 98.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126 | 152.4 | -66.7 | -65.7 | 0 | 0 | 0 | 106.8 | V348 F349 C398 V400 I408 | V348-I406 WeakPolarHBondContact CA-O 3.3Å; F349-I406 HydrophobicContact CB-CB 4.47Å; F349-I406 HydrophobicContact CD2-CB 4.41Å; F349-I406 HydrophobicContact CD2-CG2 4.29Å; F349-I406 PolarHBondContact N-O 3.16Å; F349-I406 PolarHBondContact O-N 3.49Å; C398-I406 HydrophobicContact CB-CG1 4.37Å; C398-I406 HydrophobicContact CB-CG2 4.36Å; V400-I406 HydrophobicContact CG2-CB 4.31Å; V400-I406 HydrophobicContact CG2-CG1 3.92Å; I406-I408 HydrophobicContact CG2-CG2 3.96Å |
| 407 | M | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.9 | 175.3 | -178.4 | 176.2 | -175.6 | 0 | 0 | 108.2 | A275 I279 V306 V309 A346 I347 V348 D380 V381 F382 | A275-M407 HydrophobicContact CB-CB 4.37Å; A275-M407 HydrophobicContact CB-SD 3.74Å; I279-M407 HydrophobicContact CD1-CE 4.32Å; I279-M407 HydrophobicContact CG1-CE 4.36Å; V306-M407 HydrophobicContact CG1-CE 4.41Å; V306-M407 HydrophobicContact CG1-SD 4.12Å; V306-M407 HydrophobicContact CG2-SD 4.22Å; V309-M407 HydrophobicContact CB-CE 3.73Å; V309-M407 HydrophobicContact CG1-CE 3.52Å; V309-M407 HydrophobicContact CG2-CE 3.89Å; A346-M407 HydrophobicContact CB-CE 4.41Å; I347-M407 CarbonylContact O-C 3.49Å; I347-M407 WeakPolarHBondContact O-CA 3.2Å; V348-M407 HydrophobicContact CG2-CB 3.91Å; V348-M407 HydrophobicContact CG2-CG 3.63Å; V348-M407 HydrophobicContact CG2-SD 4.1Å; D380-M407 WeakPolarHBondContact CA-O 3.35Å; V381-M407 HydrophobicContact CG2-CB 3.65Å; V381-M407 HydrophobicContact CG2-CG 3.51Å; V381-M407 WeakPolarHBondContact CG2-O 3.46Å; V381-M407 HydrophobicContact CG2-SD 3.67Å; V381-M407 PolarHBondContact N-O 3.46Å; F382-M407 HydrophobicContact CD2-CB 4.09Å; F382-M407 HydrophobicContact CE2-CB 3.85Å; F382-M407 HydrophobicContact CE2-SD 4.39Å |
| 408 | I | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.9 | 178.3 | 62.1 | 173.1 | 0 | 0 | 0 | 110.8 | A346 I347 F349 V378 M379 D380 Y387 F396 I406 | A346-I408 CarbonylContact C-O 3.59Å; A346-I408 WeakPolarHBondContact CA-O 3.18Å; I347-I408 HydrophobicContact CB-CD1 4.08Å; I347-I408 HydrophobicContact CB-CG1 3.69Å; I347-I408 HydrophobicContact CD1-CD1 3.94Å; I347-I408 HydrophobicContact CD1-CG1 4.31Å; I347-I408 HydrophobicContact CG1-CG1 4.49Å; I347-I408 HydrophobicContact CG2-CG1 4.43Å; I347-I408 PolarHBondContact N-O 3.3Å; I347-I408 PolarHBondContact O-N 3.47Å; F349-I408 HydrophobicContact CE2-CD1 3.81Å; F349-I408 HydrophobicContact CE2-CG1 4.13Å; F349-I408 HydrophobicContact CZ-CD1 4.4Å; V378-I408 HydrophobicContact CG1-CB 4.01Å; V378-I408 HydrophobicContact CG1-CD1 3.68Å; V378-I408 HydrophobicContact CG1-CG1 4.34Å; V378-I408 HydrophobicContact CG1-CG2 4.28Å; M379-I408 CarbonylContact O-C 3.52Å; M379-I408 WeakPolarHBondContact O-CA 3.22Å; D380-I408 HydrophobicContact CB-CG2 4.43Å; Y387-I408 HydrophobicContact CD2-CG2 4.38Å; Y387-I408 HydrophobicContact CE2-CG2 3.93Å; F396-I408 HydrophobicContact CE1-CD1 4.48Å; F396-I408 HydrophobicContact CE2-CD1 4.32Å; F396-I408 HydrophobicContact CZ-CD1 4.05Å; F396-I408 HydrophobicContact CZ-CG2 4.33Å; I406-I408 HydrophobicContact CG2-CG2 3.96Å |
| 409 | T | 98.5 | Very high | 97.7 | Very high | 18 Ų | 18 | 24.1 Ų | 24.1 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.6 | 160.2 | 48.2 | 0 | 0 | 0 | 0 | 108.1 | V309 I334 F345 V378 M379 V381 | V309-T409 HydrophobicContact CG2-CG2 3.73Å; I334-T409 HydrophobicContact CD1-CG2 4.05Å; F345-T409 CarbonylContact O-C 3.4Å; F345-T409 WeakPolarHBondContact O-CA 3.33Å; V378-T409 CarbonylContact C-O 3.57Å; V378-T409 VanDerWaalsContact CA-O 3.28Å; V378-T409 WeakPolarHBondContact CA-O 3.38Å; M379-T409 PolarHBondContact N-O 3.09Å; M379-T409 PolarHBondContact O-N 3.47Å; M379-T409 PolarHBondContact O-OG1 2.79Å; V381-T409 HydrophobicContact CG1-CG2 3.66Å |
| 410 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 92 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107 | S344 F345 I347 L370 Y376 N377 V378 | S344-A410 WeakPolarHBondContact CA-O 3.49Å; S344-A410 WeakPolarHBondContact CB-O 3.38Å; F345-A410 PolarHBondContact N-O 3.31Å; F345-A410 PolarHBondContact O-N 3.23Å; I347-A410 HydrophobicContact CD1-CB 4.48Å; L370-A410 HydrophobicContact CD1-CB 3.79Å; L370-A410 HydrophobicContact CD2-CB 3.73Å; L370-A410 HydrophobicContact CG-CB 4.46Å; Y376-A410 HydrophobicContact CD1-CB 4.09Å; Y376-A410 WeakPolarHBondContact CD1-O 3.21Å; Y376-A410 HydrophobicContact CG-CB 4.19Å; N377-A410 WeakPolarHBondContact O-CA 3.28Å; V378-A410 HydrophobicContact CG2-CB 4.05Å |
| 411 | S | 97.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 20.8 Ų | 20.8 | 29% | 0.294 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | S344 Y376 N377 A413 | S344-S411 WeakPolarHBondContact OG-CA 3.24Å; Y376-S411 CarbonylContact C-O 3.47Å; Y376-S411 VanDerWaalsContact CA-O 3.24Å; Y376-S411 WeakPolarHBondContact CA-O 3.36Å; N377-S411 PolarHBondContact N-O 3.24Å; N377-S411 PolarHBondContact O-N 3.16Å; S411-A413 PolarHBondContact O-N 3.22Å |
| 412 | V | 96.8 | Very high | 97.6 | Very high | 14 Ų | 14 | 17.6 Ų | 17.6 | 9% | 0.085 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 133.3 | 177.9 | 68.4 | 0 | 0 | 0 | 0 | 109.9 | N338 K342 S344 Y376 | N338-V412 HydrophobicContact CB-CG1 3.81Å; N338-V412 HydrophobicContact CB-CG2 4.31Å; N338-V412 WeakPolarHBondContact ND2-CG2 3.28Å; K342-V412 HydrophobicContact CB-CG2 4.04Å; S344-V412 PolarHBondContact OG-N 3.5Å; Y376-V412 HydrophobicContact CD1-CB 4.13Å; Y376-V412 HydrophobicContact CE1-CB 3.9Å; Y376-V412 HydrophobicContact CE1-CG2 4.15Å |
| 413 | A | 90 | Very high | 97.5 | Very high | 59 Ų | 59 | 16.8 Ų | 16.8 | 49% | 0.488 | 12% | 0.115 | S | C | . | . | trans | -78.9 | 0 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L374 G375 S411 | L374-A413 HydrophobicContact CB-CB 4.38Å; L374-A413 WeakPolarHBondContact O-CB 3.49Å; G375-A413 WeakPolarHBondContact O-CB 3.45Å; G375-A413 PolarHBondContact O-N 2.88Å; G375-A413 VanDerWaalsContact O-N 3.12Å; S411-A413 PolarHBondContact O-N 3.22Å |
Retrieved 413 of 413 residues in 302.3 ms
(Link to these results)