| 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 | 33.5 | Very low | 30.8 | Very low | 78 Ų | 78 | 71 Ų | 71 | 38% | 0.384 | 42% | 0.416 | S | S | . | . | 0 | 109.5 | 0 | -156.1 | 167.1 | 78.8 | 0 | 0 | 107 | C3 D4 L110 S111 G114 | M1-C3 PolarHBondContact O-N 2.99Å; M1-D4 HydrophobicContact CE-CB 4.18Å; M1-L110 VanDerWaalsContact N-CD1 3.33Å; M1-S111 PolarHBondContact N-O 2.99Å; M1-G114 WeakPolarHBondContact O-CA 3.2Å | |||
| 2 | I | 37.8 | Very low | 30.4 | Very low | 10 Ų | 10 | 78.3 Ų | 78.3 | 5% | 0.051 | 45% | 0.451 | C | S | . | . | trans | -78.9 | 90.1 | 172.5 | -62.4 | 179.8 | 0 | 0 | 0 | 105.1 | W43 Y108 L162 | I2-W43 HydrophobicContact CB-CB 4.18Å; I2-W43 HydrophobicContact CB-CD2 3.84Å; I2-W43 HydrophobicContact CB-CE3 4.08Å; I2-W43 HydrophobicContact CB-CG 3.92Å; I2-W43 HydrophobicContact CD1-CB 4.09Å; I2-W43 HydrophobicContact CD1-CD2 4.36Å; I2-W43 HydrophobicContact CD1-CE3 3.96Å; I2-W43 HydrophobicContact CD1-CG 4.46Å; I2-W43 HydrophobicContact CG1-CB 4.21Å; I2-W43 HydrophobicContact CG1-CG 4.47Å; I2-W43 HydrophobicContact CG2-CD2 4.19Å; I2-W43 HydrophobicContact CG2-CE3 4.06Å; I2-W43 HydrophobicContact CG2-CH2 4.29Å; I2-W43 HydrophobicContact CG2-CZ2 4.42Å; I2-W43 HydrophobicContact CG2-CZ3 4.12Å; I2-W43 PolarHBondContact O-NE1 3.12Å; I2-Y108 HydrophobicContact CD1-CD1 4.41Å; I2-Y108 HydrophobicContact CD1-CG 3.94Å; I2-L162 HydrophobicContact CD1-CD1 4.45Å; I2-L162 HydrophobicContact CG1-CD1 4.03Å; I2-L162 HydrophobicContact CG2-CD1 4.48Å | ||
| 3 | C | 40.5 | Very low | 30.3 | Very low | 16 Ų | 16 | 82.9 Ų | 82.9 | 11% | 0.108 | 47% | 0.473 | C | S | . | . | trans | 47 | 133.8 | 175.5 | -77.6 | 0 | 0 | 0 | 0 | 116 | M1 E5 K159 | M1-C3 PolarHBondContact O-N 2.99Å; C3-E5 HydrophobicContact CB-CG 4.01Å; C3-E5 PolarHBondContact O-N 3.49Å; C3-K159 PolarHBondContact SG-O 2.99Å; C3-K159 VanDerWaalsContact SG-O 3.37Å | ||
| 4 | D | 33.6 | Very low | 29.9 | Very low | 71 Ų | 71 | 88.4 Ų | 88.4 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | trans | -70.2 | 62.6 | 162 | -144.4 | -20.5 | 0 | 0 | 0 | 109.5 | M1 A6 F7 | M1-D4 HydrophobicContact CE-CB 4.18Å; D4-A6 PolarHBondContact O-N 3.43Å; D4-F7 HydrophobicContact CB-CB 3.87Å; D4-F7 VanDerWaalsContact CG-CB 3.49Å; D4-F7 PolarHBondContact O-N 3.15Å; D4-F7 VanDerWaalsContact O-N 3.08Å; D4-F7 PolarHBondContact OD1-N 3.3Å; D4-F7 VanDerWaalsContact OD1-N 3.14Å; D4-F7 WeakPolarHBondContact OD2-CD2 3.48Å | ||
| 5 | E | 33.9 | Very low | 29.6 | Very low | 64 Ų | 64 | 90.1 Ų | 90.1 | 30% | 0.299 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.4 | 166.3 | -70.1 | -165.4 | 164.6 | 0 | 0 | 110.1 | C3 H34 | C3-E5 HydrophobicContact CB-CG 4.01Å; C3-E5 PolarHBondContact O-N 3.49Å; E5-H34 IonicContact OE2-CE1 3.2Å; E5-H34 PolarHBondContact OE2-CE1 2.98Å; E5-H34 VanDerWaalsContact OE2-CE1 3.28Å; E5-H34 IonicContact OE2-NE2 3.77Å |
| 6 | A | 31.9 | Very low | 29.2 | Very low | 60 Ų | 60 | 92.5 Ų | 92.5 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D4 I8 | D4-A6 PolarHBondContact O-N 3.43Å; A6-I8 PolarHBondContact O-N 2.99Å |
| 7 | F | 26.5 | Very low | 29.2 | Very low | 159 Ų | 159 | 92.2 Ų | 92.2 | 70% | 0.697 | 54% | 0.542 | S | S | * | . | trans | -73.4 | 20 | -175.1 | -144.8 | -101 | 0 | 0 | 0 | 115.5 | D4 | D4-F7 HydrophobicContact CB-CB 3.87Å; D4-F7 VanDerWaalsContact CG-CB 3.49Å; D4-F7 PolarHBondContact O-N 3.15Å; D4-F7 VanDerWaalsContact O-N 3.08Å; D4-F7 PolarHBondContact OD1-N 3.3Å; D4-F7 VanDerWaalsContact OD1-N 3.14Å; D4-F7 WeakPolarHBondContact OD2-CD2 3.48Å | ||
| 8 | I | 28.4 | Very low | 29.1 | Very low | 51 Ų | 51 | 97.6 Ų | 97.6 | 26% | 0.262 | 56% | 0.561 | S | S | . | * | trans | -118.5 | 39.4 | 178.8 | -55.4 | -167.4 | 0 | 0 | 0 | 109.5 | A6 H214 | A6-I8 PolarHBondContact O-N 2.99Å; I8-H214 HydrophobicContact CG2-CB 4.18Å; I8-H214 WeakPolarHBondContact CG2-CD2 2.85Å; I8-H214 VanDerWaalsContact CG2-CG 3.41Å; I8-H214 WeakPolarHBondContact CG2-NE2 3.48Å | ||
| 9 | S | 24.8 | Very low | 29 | Very low | 81 Ų | 81 | 100.2 Ų | 100.2 | 57% | 0.566 | 57% | 0.573 | S | S | * | * | trans | -106.1 | 133.3 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 10 | S | 24.5 | Very low | 28.9 | Very low | 97 Ų | 97 | 102.5 Ų | 102.5 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | trans | 99.5 | -1.9 | 154.2 | 77.5 | 0 | 0 | 0 | 0 | 123.8 | L12 | S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 3.5Å; S10-L12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | S | 23.3 | Very low | 28.7 | Very low | 94 Ų | 94 | 103.6 Ų | 103.6 | 66% | 0.657 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 17.6 | -178.6 | -49.6 | 0 | 0 | 0 | 0 | 117.3 | ||
| 12 | L | 26.7 | Very low | 28.4 | Very low | 159 Ų | 159 | 105.6 Ų | 105.6 | 83% | 0.832 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 27.6 | 173.4 | -102.1 | 163.8 | 0 | 0 | 0 | 113.3 | S10 | S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 3.5Å; S10-L12 VanDerWaalsContact O-N 3.15Å |
| 13 | D | 28.2 | Very low | 27.8 | Very low | 138 Ų | 138 | 109.6 Ų | 109.6 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -113 | 80.8 | 161.3 | -74.5 | -26.2 | 0 | 0 | 0 | 108.3 | ||
| 14 | N | 24.7 | Very low | 27.1 | Very low | 160 Ų | 160 | 119.4 Ų | 119.4 | 86% | 0.856 | 68% | 0.682 | S | S | * | * | trans | 167.9 | 69 | 150.2 | -84.4 | -28.4 | 0 | 0 | 0 | 111.4 | ||||
| 15 | T | 25.1 | Very low | 27.1 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | trans | -128.2 | 94.1 | 148.8 | 53.1 | 0 | 0 | 0 | 0 | 108.5 | S17 | T15-S17 VanDerWaalsContact C-N 3.3Å; T15-S17 PolarHBondContact O-N 3.41Å | ||
| 16 | S | 24.5 | Very low | 26.9 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | trans | -50.1 | 92.9 | 156.9 | 50.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 17 | S | 28 | Very low | 27.3 | Very low | 88 Ų | 88 | 129 Ų | 129 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | trans | -158.6 | 106.5 | 160.5 | 55.5 | 0 | 0 | 0 | 0 | 108.5 | T15 N19 | T15-S17 VanDerWaalsContact C-N 3.3Å; T15-S17 PolarHBondContact O-N 3.41Å; S17-N19 PolarHBondContact O-N 3.5Å | ||
| 18 | E | 27.2 | Very low | 28.3 | Very low | 189 Ų | 189 | 127.9 Ų | 127.9 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -43.3 | 101.6 | 166.4 | -61.5 | 170.5 | 149.2 | 0 | 0 | 110.2 | ||||
| 19 | N | 27.6 | Very low | 29.6 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -164.3 | 98.9 | 159.8 | -91.4 | -36.3 | 0 | 0 | 0 | 110.3 | S17 V21 | S17-N19 PolarHBondContact O-N 3.5Å; N19-V21 PolarHBondContact O-N 2.54Å | ||
| 20 | V | 27 | Very low | 31.9 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 89% | 0.885 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -8.7 | 76.7 | 154.6 | -167.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 21 | V | 25.3 | Very low | 34.7 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | trans | -148.6 | 59.7 | 155 | -167.2 | 0 | 0 | 0 | 0 | 108.8 | N19 | N19-V21 PolarHBondContact O-N 2.54Š| ||
| 22 | S | 26.2 | Very low | 37.7 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 84% | 0.839 | 68% | 0.676 | S | S | * | * | trans | -119.7 | 22 | -174.1 | 67.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 23 | S | 25.6 | Very low | 40.7 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -125.1 | 1.4 | -175.5 | 78.3 | 0 | 0 | 0 | 0 | 117.4 | ||
| 24 | W | 27.2 | Very low | 43.6 | Very low | 222 Ų | 222 | 113.7 Ų | 113.7 | 84% | 0.841 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -112.5 | -7.9 | 179.7 | -71.4 | 92.1 | 0 | 0 | 0 | 115 | ||
| 25 | H | 33.1 | Very low | 46.7 | Very low | 163 Ų | 163 | 110.3 Ų | 110.3 | 76% | 0.755 | 61% | 0.61 | S | S | * | * | trans | -107 | 54.2 | 168.8 | -58.9 | -60.9 | 0 | 0 | 0 | 108.9 | D27 | H25-D27 PolarHBondContact O-N 3.46Š| ||
| 26 | A | 30.3 | Very low | 49.9 | Very low | 76 Ų | 76 | 107.8 Ų | 107.8 | 63% | 0.628 | 60% | 0.595 | S | S | * | * | trans | -50.7 | 128 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | I28 | A26-I28 VanDerWaalsContact C-N 3.28Å; A26-I28 WeakPolarHBondContact O-CG1 3.39Å; A26-I28 PolarHBondContact O-N 3.06Å | ||
| 27 | D | 39.7 | Very low | 53.1 | Low | 158 Ų | 158 | 105 Ų | 105 | 85% | 0.845 | 57% | 0.569 | S | S | * | * | trans | -18.5 | 84.9 | 171.9 | -73.5 | -49.6 | 0 | 0 | 0 | 112.3 | H25 Q29 | H25-D27 PolarHBondContact O-N 3.46Å; D27-Q29 PolarHBondContact O-N 2.92Å | ||
| 28 | I | 47.7 | Very low | 56 | Low | 134 Ų | 134 | 106.7 Ų | 106.7 | 69% | 0.687 | 57% | 0.567 | S | S | * | * | trans | -70.6 | 90.6 | 170.5 | -60.9 | 178 | 0 | 0 | 0 | 102.1 | A26 S30 | A26-I28 VanDerWaalsContact C-N 3.28Å; A26-I28 WeakPolarHBondContact O-CG1 3.39Å; A26-I28 PolarHBondContact O-N 3.06Å; I28-S30 PolarHBondContact O-N 3.23Å | ||
| 29 | Q | 55.5 | Low | 59 | Low | 143 Ų | 143 | 107.2 Ų | 107.2 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | trans | -45.6 | 121.4 | 171.3 | -79 | -172.8 | -23.3 | 0 | 0 | 105.2 | D27 A31 | D27-Q29 PolarHBondContact O-N 2.92Å; Q29-A31 PolarHBondContact O-N 2.91Å | ||
| 30 | S | 72.3 | Confident | 61.9 | Low | 32 Ų | 32 | 102.9 Ų | 102.9 | 22% | 0.224 | 55% | 0.548 | C | S | . | . | trans | -51.2 | 123 | 176.3 | -165.3 | 0 | 0 | 0 | 0 | 106.7 | I28 V32 R212 | I28-S30 PolarHBondContact O-N 3.23Å; S30-V32 WeakPolarHBondContact CB-O 3.2Å; S30-V32 PolarHBondContact O-N 2.95Å; S30-V32 PolarHBondContact OG-N 3.46Å; S30-V32 PolarHBondContact OG-O 3.17Å; S30-R212 VanDerWaalsContact CB-NH2 3.33Å | ||
| 31 | A | 83.1 | Confident | 65 | Low | 9 Ų | 9 | 100.2 Ų | 100.2 | 7% | 0.074 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -59.2 | -11.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q29 I47 Q48 V51 A207 | Q29-A31 PolarHBondContact O-N 2.91Å; A31-I47 CarbonylContact O-C 3.48Å; A31-I47 VanDerWaalsContact O-CA 3.27Å; A31-I47 WeakPolarHBondContact O-CA 3.11Å; A31-Q48 PolarHBondContact O-N 3.07Å; A31-V51 HydrophobicContact CB-CB 4.38Å; A31-V51 HydrophobicContact CB-CG1 4.32Å; A31-A207 HydrophobicContact CB-CB 3.73Å |
| 32 | V | 87.6 | Confident | 68.2 | Low | 3 Ų | 3 | 96.2 Ų | 96.2 | 2% | 0.018 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.9 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | S30 H34 K45 E46 I47 A207 W208 | S30-V32 WeakPolarHBondContact CB-O 3.2Å; S30-V32 PolarHBondContact O-N 2.95Å; S30-V32 PolarHBondContact OG-N 3.46Å; S30-V32 PolarHBondContact OG-O 3.17Å; V32-H34 WeakPolarHBondContact CG1-NE2 3.27Å; V32-K45 HydrophobicContact CG1-CD 4.2Å; V32-K45 HydrophobicContact CG1-CG 3.63Å; V32-E46 CarbonylContact C-O 3.5Å; V32-E46 WeakPolarHBondContact CA-O 3.4Å; V32-I47 HydrophobicContact CG2-CG1 4.3Å; V32-A207 WeakPolarHBondContact CG2-O 3.49Å; V32-W208 VanDerWaalsContact CG2-C 3.46Å; V32-W208 WeakPolarHBondContact CG2-O 3.41Å |
| 33 | Q | 88.8 | Confident | 71.3 | Confident | 90 Ų | 90 | 91.2 Ų | 91.2 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 148.7 | 166.6 | -65.3 | 179.6 | -7.5 | 0 | 0 | 109.8 | E46 | Q33-E46 HydrophobicContact CB-CB 4.37Å; Q33-E46 PolarHBondContact N-O 3.21Å; Q33-E46 PolarHBondContact O-N 2.79Å |
| 34 | H | 89.5 | Confident | 74.5 | Confident | 46 Ų | 46 | 87.3 Ų | 87.3 | 21% | 0.213 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135 | -179.1 | -58.3 | -86.2 | 0 | 0 | 0 | 109.7 | E5 V32 W43 S44 | E5-H34 IonicContact OE2-CE1 3.2Å; E5-H34 PolarHBondContact OE2-CE1 2.98Å; E5-H34 VanDerWaalsContact OE2-CE1 3.28Å; E5-H34 IonicContact OE2-NE2 3.77Å; V32-H34 WeakPolarHBondContact CG1-NE2 3.27Å; H34-W43 AromaticContact CE1-CZ2 3.66Å; H34-W43 AromaticContact ND1-CE2 3.76Å; H34-W43 AromaticContact ND1-CH2 3.7Å; H34-W43 AromaticContact ND1-CZ2 3.04Å; H34-W43 WeakPolarHBondContact ND1-CZ2 3.38Å; H34-S44 WeakPolarHBondContact CA-O 3.31Å |
| 35 | H | 90.5 | Very high | 77.6 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.7 | -180 | -58.3 | 99.7 | 0 | 0 | 0 | 109.3 | W43 S44 E46 | H35-W43 CarbonylContact O-C 3.6Å; H35-W43 WeakPolarHBondContact O-CA 3.43Å; H35-S44 PolarHBondContact N-O 3.42Å; H35-S44 PolarHBondContact O-N 3.34Å; H35-E46 IonicContact CE1-OE2 2.7Å; H35-E46 PolarHBondContact CE1-OE2 2.63Å; H35-E46 IonicContact ND1-OE2 3.83Å |
| 36 | T | 91.7 | Very high | 80.5 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 37% | 0.368 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.4 | 173 | -56.5 | 0 | 0 | 0 | 0 | 109 | L110 | T36-L110 HydrophobicContact CG2-CD1 4.01Å; T36-L110 HydrophobicContact CG2-CD2 4.34Å |
| 37 | D | 91.3 | Very high | 83.5 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 102.4 | 171.7 | 179.3 | 8.2 | 0 | 0 | 0 | 109.9 | K39 S40 Q41 L42 | D37-K39 PolarHBondContact O-N 3.08Å; D37-K39 WeakPolarHBondContact OD1-CB 3.4Å; D37-K39 PolarHBondContact OD1-N 3.08Å; D37-S40 WeakPolarHBondContact CB-OG 3.03Å; D37-S40 PolarHBondContact OD1-N 3.38Å; D37-S40 VanDerWaalsContact OD2-CB 3.3Å; D37-S40 WeakPolarHBondContact OD2-CB 3.4Å; D37-S40 PolarHBondContact OD2-OG 3.04Å; D37-Q41 WeakPolarHBondContact O-CA 3.48Å; D37-Q41 PolarHBondContact O-N 3.32Å; D37-L42 PolarHBondContact N-O 3.06Å; D37-L42 PolarHBondContact O-N 3.31Å |
| 38 | H | 88.4 | Confident | 86 | Confident | 123 Ų | 123 | 62.3 Ų | 62.3 | 57% | 0.569 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -18 | 177.7 | -65.2 | -75.9 | 0 | 0 | 0 | 113.4 | Q41 | H38-Q41 PolarHBondContact O-NE2 3.36Š|
| 39 | K | 90 | Very high | 88.2 | Confident | 201 Ų | 201 | 57.8 Ų | 57.8 | 87% | 0.874 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -45.6 | 176.5 | -65.1 | -179.4 | 179.1 | 176.5 | 0 | 110.7 | D37 Q41 | D37-K39 PolarHBondContact O-N 3.08Å; D37-K39 WeakPolarHBondContact OD1-CB 3.4Å; D37-K39 PolarHBondContact OD1-N 3.08Å; K39-Q41 VanDerWaalsContact C-N 3.33Å |
| 40 | S | 89 | Confident | 89.8 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -7.9 | 175.5 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | D37 L42 | D37-S40 WeakPolarHBondContact CB-OG 3.03Å; D37-S40 PolarHBondContact OD1-N 3.38Å; D37-S40 VanDerWaalsContact OD2-CB 3.3Å; D37-S40 WeakPolarHBondContact OD2-CB 3.4Å; D37-S40 PolarHBondContact OD2-OG 3.04Å; S40-L42 VanDerWaalsContact C-N 3.27Å; S40-L42 PolarHBondContact O-N 3.44Å |
| 41 | Q | 91.4 | Very high | 90.6 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 42.5 | -173.5 | -65.9 | -69.6 | -50.8 | 0 | 0 | 111.8 | D37 H38 K39 L110 | D37-Q41 WeakPolarHBondContact O-CA 3.48Å; D37-Q41 PolarHBondContact O-N 3.32Å; H38-Q41 PolarHBondContact O-NE2 3.36Å; K39-Q41 VanDerWaalsContact C-N 3.33Å; Q41-L110 HydrophobicContact CB-CB 4.43Å; Q41-L110 VanDerWaalsContact O-CB 3.31Å; Q41-L110 WeakPolarHBondContact O-CB 3.46Å; Q41-L110 PolarHBondContact O-N 2.83Å |
| 42 | L | 92.8 | Very high | 90.8 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 22% | 0.22 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.8 | 178.9 | -66 | 174.6 | 0 | 0 | 0 | 111.1 | D37 S40 Y108 | D37-L42 PolarHBondContact N-O 3.06Å; D37-L42 PolarHBondContact O-N 3.31Å; S40-L42 VanDerWaalsContact C-N 3.27Å; S40-L42 PolarHBondContact O-N 3.44Å; L42-Y108 WeakPolarHBondContact CA-O 3.19Å |
| 43 | W | 92.5 | Very high | 90.8 | Very high | 14 Ų | 14 | 62 Ų | 62 | 5% | 0.053 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.8 | 162.4 | 176.2 | 91.1 | 0 | 0 | 0 | 108.5 | I2 H34 H35 K45 Y108 L110 | I2-W43 HydrophobicContact CB-CB 4.18Å; I2-W43 HydrophobicContact CB-CD2 3.84Å; I2-W43 HydrophobicContact CB-CE3 4.08Å; I2-W43 HydrophobicContact CB-CG 3.92Å; I2-W43 HydrophobicContact CD1-CB 4.09Å; I2-W43 HydrophobicContact CD1-CD2 4.36Å; I2-W43 HydrophobicContact CD1-CE3 3.96Å; I2-W43 HydrophobicContact CD1-CG 4.46Å; I2-W43 HydrophobicContact CG1-CB 4.21Å; I2-W43 HydrophobicContact CG1-CG 4.47Å; I2-W43 HydrophobicContact CG2-CD2 4.19Å; I2-W43 HydrophobicContact CG2-CE3 4.06Å; I2-W43 HydrophobicContact CG2-CH2 4.29Å; I2-W43 HydrophobicContact CG2-CZ2 4.42Å; I2-W43 HydrophobicContact CG2-CZ3 4.12Å; I2-W43 PolarHBondContact O-NE1 3.12Å; H34-W43 AromaticContact CE1-CZ2 3.66Å; H34-W43 AromaticContact ND1-CE2 3.76Å; H34-W43 AromaticContact ND1-CH2 3.7Å; H34-W43 AromaticContact ND1-CZ2 3.04Å; H34-W43 WeakPolarHBondContact ND1-CZ2 3.38Å; H35-W43 CarbonylContact O-C 3.6Å; H35-W43 WeakPolarHBondContact O-CA 3.43Å; W43-K45 HydrophobicContact CE3-CB 4.42Å; W43-K45 HydrophobicContact CH2-CB 3.75Å; W43-K45 HydrophobicContact CH2-CD 4.07Å; W43-K45 HydrophobicContact CH2-CG 4.31Å; W43-K45 HydrophobicContact CZ2-CB 4.47Å; W43-K45 HydrophobicContact CZ3-CB 3.7Å; W43-K45 HydrophobicContact CZ3-CD 4.5Å; W43-Y108 AromaticContact CE3-CD2 3.6Å; W43-Y108 HydrophobicContact CE3-CD2 3.6Å; W43-Y108 HydrophobicContact CE3-CE2 4.34Å; W43-Y108 HydrophobicContact CE3-CG 4.15Å; W43-Y108 AromaticContact CZ3-CD2 3.58Å; W43-Y108 HydrophobicContact CZ3-CD2 3.58Å; W43-Y108 AromaticContact CZ3-CE2 3.86Å; W43-Y108 HydrophobicContact CZ3-CE2 3.86Å; W43-Y108 HydrophobicContact CZ3-CG 4.35Å; W43-Y108 PolarHBondContact N-O 2.68Å; W43-Y108 PolarHBondContact O-N 3.23Å; W43-L110 HydrophobicContact CB-CD1 4.05Å |
| 44 | S | 93 | Very high | 90.8 | Very high | 13 Ų | 13 | 68.6 Ų | 68.6 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.2 | -173 | -45.8 | 0 | 0 | 0 | 0 | 109.4 | H34 H35 L106 H107 | H34-S44 WeakPolarHBondContact CA-O 3.31Å; H35-S44 PolarHBondContact N-O 3.42Å; H35-S44 PolarHBondContact O-N 3.34Å; S44-L106 CarbonylContact C-O 3.59Å; S44-L106 WeakPolarHBondContact CA-O 3.33Å; S44-H107 WeakPolarHBondContact CB-ND1 3.27Å; S44-H107 PolarHBondContact OG-CE1 3.42Å; S44-H107 PolarHBondContact OG-ND1 2.89Å |
| 45 | K | 92.1 | Very high | 90.7 | Very high | 17 Ų | 17 | 71.1 Ų | 71.1 | 7% | 0.074 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 106.5 | 172.7 | -179.1 | 176.1 | 173.4 | 170.7 | 0 | 108.6 | V32 W43 I47 T105 L106 W208 R209 | V32-K45 HydrophobicContact CG1-CD 4.2Å; V32-K45 HydrophobicContact CG1-CG 3.63Å; W43-K45 HydrophobicContact CE3-CB 4.42Å; W43-K45 HydrophobicContact CH2-CB 3.75Å; W43-K45 HydrophobicContact CH2-CD 4.07Å; W43-K45 HydrophobicContact CH2-CG 4.31Å; W43-K45 HydrophobicContact CZ2-CB 4.47Å; W43-K45 HydrophobicContact CZ3-CB 3.7Å; W43-K45 HydrophobicContact CZ3-CD 4.5Å; K45-I47 HydrophobicContact CG-CG1 4.39Å; K45-T105 CarbonylContact O-C 3.59Å; K45-T105 WeakPolarHBondContact O-CA 3.28Å; K45-L106 HydrophobicContact CB-CB 4.45Å; K45-L106 PolarHBondContact N-O 2.88Å; K45-L106 PolarHBondContact O-N 3.3Å; K45-W208 WeakPolarHBondContact CE-O 3.48Å; K45-W208 PolarHBondContact NZ-O 3.24Å; K45-R209 VanDerWaalsContact NZ-C 3.27Å; K45-R209 VanDerWaalsContact NZ-CA 3.32Å; K45-R209 PolarHBondContact NZ-O 3.37Å |
| 46 | E | 93.1 | Very high | 90.6 | Very high | 42 Ų | 42 | 67.2 Ų | 67.2 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.9 | 179.3 | -176.6 | 172.4 | -179.5 | 0 | 0 | 109.9 | V32 Q33 H35 Q48 S103 T105 | V32-E46 CarbonylContact C-O 3.5Å; V32-E46 WeakPolarHBondContact CA-O 3.4Å; Q33-E46 HydrophobicContact CB-CB 4.37Å; Q33-E46 PolarHBondContact N-O 3.21Å; Q33-E46 PolarHBondContact O-N 2.79Å; H35-E46 IonicContact CE1-OE2 2.7Å; H35-E46 PolarHBondContact CE1-OE2 2.63Å; H35-E46 IonicContact ND1-OE2 3.83Å; E46-Q48 PolarHBondContact OE1-NE2 3Å; E46-S103 WeakPolarHBondContact CG-OG 3.39Å; E46-S103 WeakPolarHBondContact OE1-CB 3.47Å; E46-S103 PolarHBondContact OE1-OG 2.75Å; E46-T105 HydrophobicContact CB-CG2 4.41Å |
| 47 | I | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.5 | -176 | -57.7 | 159.4 | 0 | 0 | 0 | 108.8 | A31 V32 K45 L49 L60 S103 L104 L106 W208 | A31-I47 CarbonylContact O-C 3.48Å; A31-I47 VanDerWaalsContact O-CA 3.27Å; A31-I47 WeakPolarHBondContact O-CA 3.11Å; V32-I47 HydrophobicContact CG2-CG1 4.3Å; K45-I47 HydrophobicContact CG-CG1 4.39Å; I47-L49 HydrophobicContact CG2-CD2 4.13Å; I47-L49 PolarHBondContact O-N 3.42Å; I47-L60 HydrophobicContact CD1-CD1 4Å; I47-L60 HydrophobicContact CD1-CD2 4.43Å; I47-L60 HydrophobicContact CG2-CD2 4.3Å; I47-S103 WeakPolarHBondContact O-CA 3.33Å; I47-L104 HydrophobicContact CB-CB 4.45Å; I47-L104 WeakPolarHBondContact CB-O 3.47Å; I47-L104 HydrophobicContact CD1-CD2 4.37Å; I47-L104 PolarHBondContact N-O 2.78Å; I47-L104 PolarHBondContact O-N 3.33Å; I47-L106 HydrophobicContact CD1-CD1 4.2Å; I47-W208 HydrophobicContact CD1-CB 4.18Å; I47-W208 HydrophobicContact CD1-CE3 4.1Å; I47-W208 HydrophobicContact CG1-CB 4.4Å; I47-W208 HydrophobicContact CG2-CB 3.64Å |
| 48 | Q | 93.2 | Very high | 90.5 | Very high | 36 Ų | 36 | 67.1 Ų | 67.1 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 103.2 | 173.9 | -56.6 | -56.5 | -36.4 | 0 | 0 | 109.5 | A31 E46 D50 V51 C52 | A31-Q48 PolarHBondContact O-N 3.07Å; E46-Q48 PolarHBondContact OE1-NE2 3Å; Q48-D50 VanDerWaalsContact C-N 3.34Å; Q48-V51 HydrophobicContact CB-CG2 4.13Å; Q48-V51 PolarHBondContact O-N 3.4Å; Q48-C52 PolarHBondContact O-SG 3.46Å |
| 49 | L | 92.4 | Very high | 90.6 | Very high | 39 Ų | 39 | 62 Ų | 62 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -27 | -174 | -58.1 | 179.8 | 0 | 0 | 0 | 113 | I47 V51 C52 L57 L60 L99 T102 L104 | I47-L49 HydrophobicContact CG2-CD2 4.13Å; I47-L49 PolarHBondContact O-N 3.42Å; L49-V51 VanDerWaalsContact C-N 3.29Å; L49-C52 WeakPolarHBondContact O-CB 3.44Å; L49-C52 PolarHBondContact O-N 3.1Å; L49-L57 HydrophobicContact CB-CD2 4.12Å; L49-L57 HydrophobicContact CD2-CD2 3.85Å; L49-L60 HydrophobicContact CD2-CD2 3.59Å; L49-L99 HydrophobicContact CD1-CD1 3.62Å; L49-T102 WeakPolarHBondContact CA-O 3.45Å; L49-T102 WeakPolarHBondContact CB-O 3.3Å; L49-T102 WeakPolarHBondContact CG-O 3.35Å; L49-T102 PolarHBondContact N-O 3.25Å; L49-L104 HydrophobicContact CD1-CB 4.17Å; L49-L104 HydrophobicContact CD2-CB 3.93Å; L49-L104 HydrophobicContact CG-CB 4.14Å |
| 50 | D | 91.1 | Very high | 90.7 | Very high | 108 Ų | 108 | 52.7 Ų | 52.7 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -22.4 | 177.8 | 59.9 | -33.6 | 0 | 0 | 0 | 113.2 | Q48 T102 | Q48-D50 VanDerWaalsContact C-N 3.34Å; D50-T102 HydrophobicContact CB-CG2 4.13Å |
| 51 | V | 87.3 | Confident | 90.8 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 38% | 0.382 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -86.9 | -15.3 | 171.9 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | A31 Q48 L49 | A31-V51 HydrophobicContact CB-CB 4.38Å; A31-V51 HydrophobicContact CB-CG1 4.32Å; Q48-V51 HydrophobicContact CB-CG2 4.13Å; Q48-V51 PolarHBondContact O-N 3.4Å; L49-V51 VanDerWaalsContact C-N 3.29Å |
| 52 | C | 88.1 | Confident | 90.8 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 8% | 0.081 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -79.5 | 133.3 | 179.3 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | Q48 L49 L57 | Q48-C52 PolarHBondContact O-SG 3.46Å; L49-C52 WeakPolarHBondContact O-CB 3.44Å; L49-C52 PolarHBondContact O-N 3.1Å; C52-L57 HydrophobicContact CB-CD2 3.68Å; C52-L57 HydrophobicContact CB-CG 3.83Å |
| 53 | D | 88.4 | Confident | 90.8 | Very high | 91 Ų | 91 | 54 Ų | 54 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | trans | -72.9 | 167.4 | 170.6 | 72.1 | -9 | 0 | 0 | 0 | 111.7 | F55 S56 L57 | D53-F55 PolarHBondContact O-N 3.38Å; D53-S56 PolarHBondContact O-N 3.05Å; D53-S56 VanDerWaalsContact O-N 3.16Å; D53-S56 WeakPolarHBondContact OD1-CA 3.33Å; D53-S56 WeakPolarHBondContact OD1-CB 3.27Å; D53-S56 PolarHBondContact OD1-N 2.86Å; D53-S56 PolarHBondContact OD1-OG 3.39Å; D53-L57 WeakPolarHBondContact O-CG 3.37Å; D53-L57 PolarHBondContact O-N 2.93Å | ||
| 54 | R | 88.7 | Confident | 90.9 | Very high | 229 Ų | 229 | 55.3 Ų | 55.3 | 86% | 0.864 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -56.9 | -35.5 | -178 | -67.7 | -173.4 | -180 | -157.3 | -0.1 | 112.7 | S58 | R54-S58 PolarHBondContact O-N 3.45Å |
| 55 | F | 87.7 | Confident | 90.9 | Very high | 100 Ų | 100 | 57.1 Ų | 57.1 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.3 | -49.2 | 178.3 | 176.6 | -103.1 | 0 | 0 | 0 | 111.4 | D53 L57 S58 T59 F203 V206 | D53-F55 PolarHBondContact O-N 3.38Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 3.02Å; F55-S58 WeakPolarHBondContact O-CB 3.4Å; F55-S58 PolarHBondContact O-N 3.3Å; F55-T59 HydrophobicContact CE1-CG2 4.24Å; F55-T59 HydrophobicContact CE2-CG2 4.2Å; F55-T59 HydrophobicContact CZ-CG2 4.02Å; F55-T59 WeakPolarHBondContact O-CG2 2.74Å; F55-T59 PolarHBondContact O-N 2.82Å; F55-T59 PolarHBondContact O-OG1 3.5Å; F55-F203 HydrophobicContact CE1-CD1 4.1Å; F55-F203 HydrophobicContact CE1-CE1 4.37Å; F55-F203 HydrophobicContact CE1-CG 4.48Å; F55-F203 HydrophobicContact CE2-CE1 4.19Å; F55-F203 HydrophobicContact CE2-CZ 4.34Å; F55-F203 AromaticContact CZ-CD1 3.6Å; F55-F203 HydrophobicContact CZ-CD1 3.6Å; F55-F203 AromaticContact CZ-CE1 3.42Å; F55-F203 HydrophobicContact CZ-CE1 3.42Å; F55-F203 VanDerWaalsContact CZ-CE1 3.42Å; F55-F203 HydrophobicContact CZ-CE2 4.44Å; F55-F203 HydrophobicContact CZ-CG 4.22Å; F55-F203 AromaticContact CZ-CZ 3.86Å; F55-F203 HydrophobicContact CZ-CZ 3.86Å; F55-V206 HydrophobicContact CD1-CG1 4.17Å; F55-V206 HydrophobicContact CE1-CG1 3.74Å |
| 56 | S | 87.2 | Confident | 90.9 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.2 | -43.6 | 175 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | D53 T59 L60 A207 | D53-S56 PolarHBondContact O-N 3.05Å; D53-S56 VanDerWaalsContact O-N 3.16Å; D53-S56 WeakPolarHBondContact OD1-CA 3.33Å; D53-S56 WeakPolarHBondContact OD1-CB 3.27Å; D53-S56 PolarHBondContact OD1-N 2.86Å; D53-S56 PolarHBondContact OD1-OG 3.39Å; S56-T59 PolarHBondContact O-N 3.16Å; S56-T59 PolarHBondContact O-OG1 2.82Å; S56-L60 WeakPolarHBondContact O-CB 3.24Å; S56-L60 PolarHBondContact O-N 3.5Å; S56-A207 PolarHBondContact OG-N 3.08Å |
| 57 | L | 91.1 | Very high | 90.8 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 177 | -68.1 | 176.8 | 0 | 0 | 0 | 112.8 | L49 C52 D53 F55 L60 F61 | L49-L57 HydrophobicContact CB-CD2 4.12Å; L49-L57 HydrophobicContact CD2-CD2 3.85Å; C52-L57 HydrophobicContact CB-CD2 3.68Å; C52-L57 HydrophobicContact CB-CG 3.83Å; D53-L57 WeakPolarHBondContact O-CG 3.37Å; D53-L57 PolarHBondContact O-N 2.93Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 3.02Å; L57-L60 PolarHBondContact O-N 3.25Å; L57-F61 WeakPolarHBondContact O-CB 3.41Å; L57-F61 PolarHBondContact O-N 3.28Å |
| 58 | S | 90.6 | Very high | 90.6 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 175.1 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | R54 F55 L60 F61 D62 | R54-S58 PolarHBondContact O-N 3.45Å; F55-S58 WeakPolarHBondContact O-CB 3.4Å; F55-S58 PolarHBondContact O-N 3.3Å; S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact O-N 3.27Å; S58-F61 WeakPolarHBondContact O-CB 3.29Å; S58-F61 PolarHBondContact O-N 3.45Å; S58-D62 PolarHBondContact O-N 2.95Å |
| 59 | T | 89.9 | Confident | 90.4 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.6 | -33.3 | -179.9 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | F55 S56 F63 F203 W208 | F55-T59 HydrophobicContact CE1-CG2 4.24Å; F55-T59 HydrophobicContact CE2-CG2 4.2Å; F55-T59 HydrophobicContact CZ-CG2 4.02Å; F55-T59 WeakPolarHBondContact O-CG2 2.74Å; F55-T59 PolarHBondContact O-N 2.82Å; F55-T59 PolarHBondContact O-OG1 3.5Å; S56-T59 PolarHBondContact O-N 3.16Å; S56-T59 PolarHBondContact O-OG1 2.82Å; T59-F63 WeakPolarHBondContact O-CB 3.25Å; T59-F63 PolarHBondContact O-N 2.64Å; T59-F203 HydrophobicContact CG2-CD2 3.79Å; T59-F203 HydrophobicContact CG2-CE2 3.63Å; T59-F203 HydrophobicContact CG2-CZ 4.27Å; T59-W208 PolarHBondContact OG1-NE1 2.72Å; T59-W208 VanDerWaalsContact OG1-NE1 3.08Å |
| 60 | L | 91.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 172.6 | 176.6 | 59.3 | 0 | 0 | 0 | 111.2 | I47 L49 S56 L57 S58 F63 L64 L104 W208 | I47-L60 HydrophobicContact CD1-CD1 4Å; I47-L60 HydrophobicContact CD1-CD2 4.43Å; I47-L60 HydrophobicContact CG2-CD2 4.3Å; L49-L60 HydrophobicContact CD2-CD2 3.59Å; S56-L60 WeakPolarHBondContact O-CB 3.24Å; S56-L60 PolarHBondContact O-N 3.5Å; L57-L60 PolarHBondContact O-N 3.25Å; S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact O-N 3.27Å; L60-F63 HydrophobicContact CD1-CD1 4.17Å; L60-F63 WeakPolarHBondContact O-CB 3.45Å; L60-F63 PolarHBondContact O-N 3.48Å; L60-L64 HydrophobicContact CD1-CG 4.39Å; L60-L64 HydrophobicContact CG-CD1 4.42Å; L60-L64 WeakPolarHBondContact O-CG 3.48Å; L60-L64 PolarHBondContact O-N 3.02Å; L60-L104 HydrophobicContact CD1-CD2 4.08Å; L60-L104 HydrophobicContact CD2-CD2 3.84Å; L60-L104 HydrophobicContact CG-CD2 4.21Å; L60-W208 HydrophobicContact CB-CD2 4.25Å; L60-W208 HydrophobicContact CB-CG 4.03Å; L60-W208 HydrophobicContact CD1-CB 4.48Å; L60-W208 HydrophobicContact CD1-CD2 3.79Å; L60-W208 HydrophobicContact CD1-CE3 3.73Å; L60-W208 HydrophobicContact CD1-CG 4.12Å; L60-W208 HydrophobicContact CD1-CZ3 4.21Å; L60-W208 HydrophobicContact CD2-CB 4.3Å; L60-W208 HydrophobicContact CG-CG 4.46Å |
| 61 | F | 92.4 | Very high | 89.7 | Confident | 126 Ų | 126 | 62.1 Ų | 62.1 | 55% | 0.553 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 176.5 | -176 | -104.4 | 0 | 0 | 0 | 111.9 | L57 S58 F63 L64 N65 | L57-F61 WeakPolarHBondContact O-CB 3.41Å; L57-F61 PolarHBondContact O-N 3.28Å; S58-F61 WeakPolarHBondContact O-CB 3.29Å; S58-F61 PolarHBondContact O-N 3.45Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 PolarHBondContact O-N 3.36Å; F61-L64 PolarHBondContact O-N 3.46Å; F61-N65 VanDerWaalsContact CD1-ND2 3.32Å; F61-N65 WeakPolarHBondContact CD1-ND2 3.47Å; F61-N65 WeakPolarHBondContact CE1-ND2 3.47Å; F61-N65 WeakPolarHBondContact CZ-ND2 3.33Å; F61-N65 PolarHBondContact O-N 3.07Å; F61-N65 PolarHBondContact O-ND2 3.09Å |
| 62 | D | 91.4 | Very high | 88.8 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 174.9 | -66.5 | -28.1 | 0 | 0 | 0 | 111.4 | S58 N65 M66 | S58-D62 PolarHBondContact O-N 2.95Å; D62-N65 PolarHBondContact O-N 2.92Å; D62-M66 WeakPolarHBondContact O-CG 3.21Å; D62-M66 PolarHBondContact O-N 3.35Å |
| 63 | F | 92.4 | Very high | 87.4 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 175 | 168 | -106.1 | 0 | 0 | 0 | 112.9 | T59 L60 F61 N65 M66 I67 L106 L183 M186 W208 | T59-F63 WeakPolarHBondContact O-CB 3.25Å; T59-F63 PolarHBondContact O-N 2.64Å; L60-F63 HydrophobicContact CD1-CD1 4.17Å; L60-F63 WeakPolarHBondContact O-CB 3.45Å; L60-F63 PolarHBondContact O-N 3.48Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 PolarHBondContact O-N 3.36Å; F63-N65 VanDerWaalsContact C-N 3.32Å; F63-N65 PolarHBondContact O-N 2.73Å; F63-M66 PolarHBondContact O-N 2.95Å; F63-I67 HydrophobicContact CD1-CD1 4.1Å; F63-I67 HydrophobicContact CD2-CD1 4.19Å; F63-I67 HydrophobicContact CD2-CG1 4.41Å; F63-I67 HydrophobicContact CE1-CD1 3.42Å; F63-I67 VanDerWaalsContact CE1-CD1 3.42Å; F63-I67 HydrophobicContact CE2-CD1 3.51Å; F63-I67 HydrophobicContact CE2-CG1 4.03Å; F63-I67 HydrophobicContact CG-CD1 4.47Å; F63-I67 HydrophobicContact CZ-CD1 3.12Å; F63-I67 HydrophobicContact CZ-CG1 4.13Å; F63-I67 PolarHBondContact O-N 3.48Å; F63-L106 HydrophobicContact CE1-CD1 3.88Å; F63-L183 HydrophobicContact CE2-CB 4Å; F63-L183 WeakPolarHBondContact CE2-O 3.37Å; F63-M186 HydrophobicContact CD2-CE 4.48Å; F63-W208 HydrophobicContact CB-CH2 3.86Å; F63-W208 HydrophobicContact CB-CZ2 3.96Å; F63-W208 AromaticContact CD1-CH2 3.46Å; F63-W208 HydrophobicContact CD1-CH2 3.46Å; F63-W208 VanDerWaalsContact CD1-CH2 3.46Å; F63-W208 HydrophobicContact CD1-CZ2 4.29Å; F63-W208 AromaticContact CD1-CZ3 3.67Å; F63-W208 HydrophobicContact CD1-CZ3 3.67Å; F63-W208 AromaticContact CD2-CH2 3.78Å; F63-W208 HydrophobicContact CD2-CH2 3.78Å; F63-W208 AromaticContact CE1-CH2 3.78Å; F63-W208 HydrophobicContact CE1-CH2 3.78Å; F63-W208 AromaticContact CE1-CZ3 3.63Å; F63-W208 HydrophobicContact CE1-CZ3 3.63Å; F63-W208 HydrophobicContact CE2-CH2 4.08Å; F63-W208 AromaticContact CG-CH2 3.42Å; F63-W208 HydrophobicContact CG-CH2 3.42Å; F63-W208 VanDerWaalsContact CG-CH2 3.42Å; F63-W208 HydrophobicContact CG-CZ2 4.04Å; F63-W208 HydrophobicContact CG-CZ3 4.12Å; F63-W208 HydrophobicContact CZ-CH2 4.04Å; F63-W208 HydrophobicContact CZ-CZ3 4.05Å |
| 64 | L | 93.9 | Very high | 86 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 177.3 | -69.5 | 174.2 | 0 | 0 | 0 | 111.9 | L60 F61 I67 R68 V97 L104 L106 | L60-L64 HydrophobicContact CD1-CG 4.39Å; L60-L64 HydrophobicContact CG-CD1 4.42Å; L60-L64 WeakPolarHBondContact O-CG 3.48Å; L60-L64 PolarHBondContact O-N 3.02Å; F61-L64 PolarHBondContact O-N 3.46Å; L64-I67 PolarHBondContact O-N 3.21Å; L64-R68 WeakPolarHBondContact O-CB 3.36Å; L64-R68 PolarHBondContact O-N 3.18Å; L64-V97 HydrophobicContact CD2-CG1 4.27Å; L64-L104 HydrophobicContact CD1-CD2 3.92Å; L64-L104 HydrophobicContact CD2-CD2 4.46Å; L64-L106 HydrophobicContact CD2-CD2 3.94Å |
| 65 | N | 92.6 | Very high | 84.2 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.1 | -73.4 | -34.9 | 0 | 0 | 0 | 111.9 | F61 D62 F63 R68 N69 | F61-N65 VanDerWaalsContact CD1-ND2 3.32Å; F61-N65 WeakPolarHBondContact CD1-ND2 3.47Å; F61-N65 WeakPolarHBondContact CE1-ND2 3.47Å; F61-N65 WeakPolarHBondContact CZ-ND2 3.33Å; F61-N65 PolarHBondContact O-N 3.07Å; F61-N65 PolarHBondContact O-ND2 3.09Å; D62-N65 PolarHBondContact O-N 2.92Å; F63-N65 VanDerWaalsContact C-N 3.32Å; F63-N65 PolarHBondContact O-N 2.73Å; N65-R68 PolarHBondContact O-N 2.74Å; N65-N69 VanDerWaalsContact O-CG 3.23Å; N65-N69 PolarHBondContact O-N 2.92Å; N65-N69 PolarHBondContact O-ND2 3.38Å |
| 66 | M | 91.7 | Very high | 82.2 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 14% | 0.143 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.3 | -71.4 | -173 | -68.5 | 0 | 0 | 111.9 | D62 F63 R68 N69 L70 L151 M186 | D62-M66 WeakPolarHBondContact O-CG 3.21Å; D62-M66 PolarHBondContact O-N 3.35Å; F63-M66 PolarHBondContact O-N 2.95Å; M66-R68 VanDerWaalsContact C-N 3.33Å; M66-R68 PolarHBondContact O-N 3.49Å; M66-N69 PolarHBondContact O-N 3.35Å; M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 2.86Å; M66-L151 HydrophobicContact CB-CD1 4.47Å; M66-L151 HydrophobicContact CG-CD2 4.17Å; M66-L151 HydrophobicContact SD-CD2 3.68Å; M66-M186 HydrophobicContact CB-CE 3.98Å; M66-M186 HydrophobicContact CE-CB 4Å; M66-M186 HydrophobicContact CE-CE 4.42Å; M66-M186 HydrophobicContact SD-CB 4.12Å |
| 67 | I | 91.3 | Very high | 80.3 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.062 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 174.8 | -75.3 | -178.4 | 0 | 0 | 0 | 111.1 | F63 L64 N69 L70 S71 L93 P94 | F63-I67 HydrophobicContact CD1-CD1 4.1Å; F63-I67 HydrophobicContact CD2-CD1 4.19Å; F63-I67 HydrophobicContact CD2-CG1 4.41Å; F63-I67 HydrophobicContact CE1-CD1 3.42Å; F63-I67 VanDerWaalsContact CE1-CD1 3.42Å; F63-I67 HydrophobicContact CE2-CD1 3.51Å; F63-I67 HydrophobicContact CE2-CG1 4.03Å; F63-I67 HydrophobicContact CG-CD1 4.47Å; F63-I67 HydrophobicContact CZ-CD1 3.12Å; F63-I67 HydrophobicContact CZ-CG1 4.13Å; F63-I67 PolarHBondContact O-N 3.48Å; L64-I67 PolarHBondContact O-N 3.21Å; I67-N69 VanDerWaalsContact C-N 3.31Å; I67-N69 PolarHBondContact O-N 3.43Å; I67-L70 PolarHBondContact O-N 3.18Å; I67-S71 PolarHBondContact O-N 3.25Å; I67-S71 PolarHBondContact O-OG 2.74Å; I67-L93 HydrophobicContact CG1-CD2 4.46Å; I67-P94 HydrophobicContact CD1-CG 4.08Å; I67-P94 HydrophobicContact CG2-CG 3.94Å |
| 68 | R | 90.1 | Very high | 78.3 | Confident | 166 Ų | 166 | 65.4 Ų | 65.4 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.3 | -46.6 | 178.8 | -166.1 | -177.6 | 86.2 | 178.4 | 7 | 110.8 | L64 N65 M66 L70 S71 S72 | L64-R68 WeakPolarHBondContact O-CB 3.36Å; L64-R68 PolarHBondContact O-N 3.18Å; N65-R68 PolarHBondContact O-N 2.74Å; M66-R68 VanDerWaalsContact C-N 3.33Å; M66-R68 PolarHBondContact O-N 3.49Å; R68-L70 PolarHBondContact O-N 3.47Å; R68-S71 PolarHBondContact O-N 3.17Å; R68-S71 PolarHBondContact O-OG 3.46Å; R68-S72 PolarHBondContact O-N 2.78Å; R68-S72 PolarHBondContact O-OG 2.94Å |
| 69 | N | 87.5 | Confident | 75.7 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 179.3 | -65.6 | -16.7 | 0 | 0 | 0 | 112.2 | N65 M66 I67 S72 T73 | N65-N69 VanDerWaalsContact O-CG 3.23Å; N65-N69 PolarHBondContact O-N 2.92Å; N65-N69 PolarHBondContact O-ND2 3.38Å; M66-N69 PolarHBondContact O-N 3.35Å; I67-N69 VanDerWaalsContact C-N 3.31Å; I67-N69 PolarHBondContact O-N 3.43Å; N69-S72 WeakPolarHBondContact CA-OG 3.25Å; N69-S72 PolarHBondContact O-N 3.13Å; N69-S72 PolarHBondContact O-OG 3.29Å; N69-T73 WeakPolarHBondContact O-CG2 3.38Å; N69-T73 PolarHBondContact O-N 3.47Å; N69-T73 VanDerWaalsContact O-N 3.13Å; N69-T73 PolarHBondContact O-OG1 3.42Å |
| 70 | L | 87.8 | Confident | 73.3 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 174.2 | -76.8 | 171.3 | 0 | 0 | 0 | 112.7 | M66 I67 R68 T73 H74 L91 L93 L146 L151 M186 | M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 2.86Å; I67-L70 PolarHBondContact O-N 3.18Å; R68-L70 PolarHBondContact O-N 3.47Å; L70-T73 PolarHBondContact O-OG1 3.1Å; L70-H74 WeakPolarHBondContact O-CB 3.12Å; L70-H74 PolarHBondContact O-N 2.85Å; L70-H74 VanDerWaalsContact O-N 3.09Å; L70-L91 HydrophobicContact CD1-CD1 3.82Å; L70-L91 HydrophobicContact CD2-CD1 3.95Å; L70-L91 HydrophobicContact CG-CD1 4.37Å; L70-L93 HydrophobicContact CB-CD1 4.17Å; L70-L93 HydrophobicContact CD1-CD2 4.45Å; L70-L146 HydrophobicContact CD1-CD1 4.25Å; L70-L146 HydrophobicContact CD2-CD1 4.28Å; L70-L151 HydrophobicContact CD1-CD1 3.61Å; L70-L151 HydrophobicContact CD2-CD1 3.83Å; L70-L151 HydrophobicContact CG-CD1 3.66Å; L70-M186 HydrophobicContact CD1-CE 3.98Å; L70-M186 HydrophobicContact CD1-SD 4.02Å |
| 71 | S | 81.8 | Confident | 70.6 | Confident | 45 Ų | 45 | 77 Ų | 77 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 177.2 | 70.8 | 0 | 0 | 0 | 0 | 112 | I67 R68 H74 I75 | I67-S71 PolarHBondContact O-N 3.25Å; I67-S71 PolarHBondContact O-OG 2.74Å; R68-S71 PolarHBondContact O-N 3.17Å; R68-S71 PolarHBondContact O-OG 3.46Å; S71-H74 PolarHBondContact O-N 2.78Å; S71-I75 WeakPolarHBondContact O-CG1 3.39Å; S71-I75 PolarHBondContact O-N 2.93Å |
| 72 | S | 69 | Low | 68.2 | Low | 48 Ų | 48 | 77.3 Ų | 77.3 | 34% | 0.336 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 176.3 | 44.2 | 0 | 0 | 0 | 0 | 112.8 | R68 N69 H74 I75 E76 | R68-S72 PolarHBondContact O-N 2.78Å; R68-S72 PolarHBondContact O-OG 2.94Å; N69-S72 WeakPolarHBondContact CA-OG 3.25Å; N69-S72 PolarHBondContact O-N 3.13Å; N69-S72 PolarHBondContact O-OG 3.29Å; S72-H74 VanDerWaalsContact C-N 3.3Å; S72-H74 PolarHBondContact O-N 3.2Å; S72-I75 PolarHBondContact O-N 3.13Å; S72-I75 VanDerWaalsContact O-N 3.14Å; S72-E76 PolarHBondContact O-N 3.46Å |
| 73 | T | 58.3 | Low | 65.8 | Low | 56 Ų | 56 | 79.2 Ų | 79.2 | 34% | 0.344 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.6 | -33.5 | 177.7 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | N69 L70 I75 E76 N77 | N69-T73 WeakPolarHBondContact O-CG2 3.38Å; N69-T73 PolarHBondContact O-N 3.47Å; N69-T73 VanDerWaalsContact O-N 3.13Å; N69-T73 PolarHBondContact O-OG1 3.42Å; L70-T73 PolarHBondContact O-OG1 3.1Å; T73-I75 VanDerWaalsContact C-N 3.29Å; T73-I75 PolarHBondContact O-N 3.5Å; T73-E76 PolarHBondContact O-N 3.23Å; T73-N77 PolarHBondContact O-N 3.09Å; T73-N77 VanDerWaalsContact O-N 3.14Å; T73-N77 PolarHBondContact O-ND2 3.34Å |
| 74 | H | 58.6 | Low | 63.2 | Low | 34 Ų | 34 | 82.1 Ų | 82.1 | 16% | 0.157 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 171.6 | -103.2 | -61.6 | 0 | 0 | 0 | 112.8 | L70 S71 S72 H78 H88 | L70-H74 WeakPolarHBondContact O-CB 3.12Å; L70-H74 PolarHBondContact O-N 2.85Å; L70-H74 VanDerWaalsContact O-N 3.09Å; S71-H74 PolarHBondContact O-N 2.78Å; S72-H74 VanDerWaalsContact C-N 3.3Å; S72-H74 PolarHBondContact O-N 3.2Å; H74-H78 PolarHBondContact O-CD2 2.85Å; H74-H88 PolarHBondContact CE1-O 2.83Å |
| 75 | I | 52.1 | Low | 60.5 | Low | 125 Ų | 125 | 85.8 Ų | 85.8 | 64% | 0.641 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -75.1 | -42.3 | 177.2 | -63.9 | 163.5 | 0 | 0 | 0 | 110.9 | S71 S72 T73 N77 H78 | S71-I75 WeakPolarHBondContact O-CG1 3.39Å; S71-I75 PolarHBondContact O-N 2.93Å; S72-I75 PolarHBondContact O-N 3.13Å; S72-I75 VanDerWaalsContact O-N 3.14Å; T73-I75 VanDerWaalsContact C-N 3.29Å; T73-I75 PolarHBondContact O-N 3.5Å; I75-N77 PolarHBondContact O-N 3.32Å; I75-H78 PolarHBondContact O-N 3.45Å; I75-H78 VanDerWaalsContact O-N 3.09Å |
| 76 | E | 43.9 | Very low | 58 | Low | 144 Ų | 144 | 87.1 Ų | 87.1 | 67% | 0.673 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70 | -29.8 | -176.4 | -74.5 | -177 | 175.9 | 0 | 0 | 114.2 | S72 T73 H78 P79 | S72-E76 PolarHBondContact O-N 3.46Å; T73-E76 PolarHBondContact O-N 3.23Å; E76-H78 PolarHBondContact O-N 3.08Å; E76-H78 VanDerWaalsContact O-N 3.15Å; E76-P79 WeakPolarHBondContact O-CD 3.45Å |
| 77 | N | 47.4 | Very low | 56 | Low | 137 Ų | 137 | 89.6 Ų | 89.6 | 73% | 0.733 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -0.4 | 171.8 | -72.6 | -31.6 | 0 | 0 | 0 | 113 | T73 I75 | T73-N77 PolarHBondContact O-N 3.09Å; T73-N77 VanDerWaalsContact O-N 3.14Å; T73-N77 PolarHBondContact O-ND2 3.34Å; I75-N77 PolarHBondContact O-N 3.32Å |
| 78 | H | 49 | Very low | 54.3 | Low | 92 Ų | 92 | 92.8 Ų | 92.8 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | trans | -125.8 | 68.9 | -176.4 | -89 | -70.5 | 0 | 0 | 0 | 115.9 | H74 I75 E76 V86 H88 | H74-H78 PolarHBondContact O-CD2 2.85Å; I75-H78 PolarHBondContact O-N 3.45Å; I75-H78 VanDerWaalsContact O-N 3.09Å; E76-H78 PolarHBondContact O-N 3.08Å; E76-H78 VanDerWaalsContact O-N 3.15Å; H78-V86 PolarHBondContact CE1-O 2.93Å; H78-H88 AromaticContact CE1-CD2 3.82Å | ||
| 79 | P | 36.5 | Very low | 53.4 | Low | 101 Ų | 101 | 87.2 Ų | 87.2 | 66% | 0.656 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -130.5 | 7.8 | 164 | 19.7 | 4.2 | 0 | 0 | 0 | 118 | E76 | E76-P79 WeakPolarHBondContact O-CD 3.45Š|
| 80 | T | 39.1 | Very low | 53.3 | Low | 139 Ų | 139 | 84.9 Ų | 84.9 | 85% | 0.853 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -128 | 9.1 | -164.2 | 55.6 | 0 | 0 | 0 | 0 | 120.1 | ||
| 81 | S | 36.8 | Very low | 53.5 | Low | 89 Ų | 89 | 84.9 Ų | 84.9 | 62% | 0.622 | 49% | 0.492 | S | S | * | . | trans | -128.6 | 124.3 | 167.3 | 58.9 | 0 | 0 | 0 | 0 | 112 | D83 | S81-D83 PolarHBondContact O-N 2.64Å; S81-D83 VanDerWaalsContact O-N 3.16Å | ||
| 82 | S | 41 | Very low | 53.9 | Low | 131 Ų | 131 | 83.4 Ų | 83.4 | 92% | 0.916 | 48% | 0.481 | S | S | * | . | trans | -67.1 | -0.4 | 168.2 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 83 | D | 41 | Very low | 55 | Low | 123 Ų | 123 | 82.5 Ų | 82.5 | 66% | 0.658 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -74.2 | 131.4 | 168.2 | -69.8 | -31.4 | 0 | 0 | 0 | 108.3 | S81 | S81-D83 PolarHBondContact O-N 2.64Å; S81-D83 VanDerWaalsContact O-N 3.16Å |
| 84 | S | 37.4 | Very low | 56.7 | Low | 67 Ų | 67 | 80.7 Ų | 80.7 | 47% | 0.469 | 46% | 0.462 | S | S | . | . | trans | -24.7 | 134.2 | -180 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | V86 | S84-V86 VanDerWaalsContact C-N 3.32Å; S84-V86 PolarHBondContact O-N 2.91Å | ||
| 85 | P | 37 | Very low | 58.1 | Low | 118 Ų | 118 | 82.4 Ų | 82.4 | 77% | 0.766 | 48% | 0.478 | S | S | * | . | trans | -60.2 | 98.6 | -178.2 | 27.1 | -33.2 | 0 | 0 | 0 | 108 | D87 | P85-D87 PolarHBondContact O-N 3Š| ||
| 86 | V | 39.9 | Very low | 60 | Low | 78 Ų | 78 | 78.8 Ų | 78.8 | 47% | 0.473 | 46% | 0.464 | S | S | . | . | trans | -64 | 110.8 | 167.1 | 179.5 | 0 | 0 | 0 | 0 | 103.1 | H78 S84 H88 | H78-V86 PolarHBondContact CE1-O 2.93Å; S84-V86 VanDerWaalsContact C-N 3.32Å; S84-V86 PolarHBondContact O-N 2.91Å; V86-H88 WeakPolarHBondContact CB-NE2 3.38Å; V86-H88 WeakPolarHBondContact CG1-NE2 3.08Å; V86-H88 PolarHBondContact O-CD2 3.28Å; V86-H88 PolarHBondContact O-N 2.92Å | ||
| 87 | D | 50 | Low | 62.4 | Low | 81 Ų | 81 | 75.2 Ų | 75.2 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | trans | -65.8 | 83.8 | -178.9 | -178.3 | 12.7 | 0 | 0 | 0 | 108.4 | P85 T89 K164 | P85-D87 PolarHBondContact O-N 3Å; D87-T89 PolarHBondContact O-N 2.99Å; D87-T89 WeakPolarHBondContact OD1-CB 3.39Å; D87-T89 PolarHBondContact OD1-N 3.24Å; D87-T89 PolarHBondContact OD1-OG1 2.96Å; D87-K164 IonicContact OD1-NZ 2.75Å; D87-K164 WeakPolarHBondContact OD2-CE 2.96Å; D87-K164 IonicContact OD2-NZ 3.67Å; D87-K164 PolarHBondContact OD2-NZ 3.34Å | ||
| 88 | H | 55.3 | Low | 64.7 | Low | 80 Ų | 80 | 71.5 Ų | 71.5 | 37% | 0.37 | 44% | 0.436 | S | S | . | . | trans | -79.3 | 37.6 | 176.8 | -75.2 | -65.4 | 0 | 0 | 0 | 110.3 | H74 H78 V86 Y90 | H74-H88 PolarHBondContact CE1-O 2.83Å; H78-H88 AromaticContact CE1-CD2 3.82Å; V86-H88 WeakPolarHBondContact CB-NE2 3.38Å; V86-H88 WeakPolarHBondContact CG1-NE2 3.08Å; V86-H88 PolarHBondContact O-CD2 3.28Å; V86-H88 PolarHBondContact O-N 2.92Å; H88-Y90 HydrophobicContact CB-CE2 3.75Å; H88-Y90 AromaticContact ND1-CZ 3.94Å; H88-Y90 PolarHBondContact ND1-OH 3.31Å; H88-Y90 VanDerWaalsContact ND1-OH 3.1Å; H88-Y90 WeakPolarHBondContact O-CD2 3.37Å; H88-Y90 WeakPolarHBondContact O-CE2 3.39Å; H88-Y90 PolarHBondContact O-N 2.98Å | ||
| 89 | T | 71 | Confident | 66.9 | Low | 48 Ų | 48 | 72.8 Ų | 72.8 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | trans | -83.4 | 105.8 | 174.6 | -58.5 | 0 | 0 | 0 | 0 | 108.9 | D87 L91 V179 | D87-T89 PolarHBondContact O-N 2.99Å; D87-T89 WeakPolarHBondContact OD1-CB 3.39Å; D87-T89 PolarHBondContact OD1-N 3.24Å; D87-T89 PolarHBondContact OD1-OG1 2.96Å; T89-L91 WeakPolarHBondContact CG2-O 3.34Å; T89-V179 WeakPolarHBondContact O-CG1 3.46Å | ||
| 90 | Y | 85.4 | Confident | 69.6 | Low | 40 Ų | 40 | 73.2 Ų | 73.2 | 16% | 0.157 | 44% | 0.442 | C | S | . | . | trans | -96.6 | -13.4 | 178.1 | -59.8 | -93.5 | 0 | 0 | 0 | 112.5 | H88 L141 C142 Q145 V179 L180 | H88-Y90 HydrophobicContact CB-CE2 3.75Å; H88-Y90 AromaticContact ND1-CZ 3.94Å; H88-Y90 PolarHBondContact ND1-OH 3.31Å; H88-Y90 VanDerWaalsContact ND1-OH 3.1Å; H88-Y90 WeakPolarHBondContact O-CD2 3.37Å; H88-Y90 WeakPolarHBondContact O-CE2 3.39Å; H88-Y90 PolarHBondContact O-N 2.98Å; Y90-L141 HydrophobicContact CD1-CB 4.18Å; Y90-L141 HydrophobicContact CE1-CB 3.95Å; Y90-L141 HydrophobicContact CE1-CD1 4.32Å; Y90-C142 PolarHBondContact O-SG 2.9Å; Y90-C142 VanDerWaalsContact O-SG 3.37Å; Y90-Q145 VanDerWaalsContact CZ-NE2 3.33Å; Y90-V179 CarbonylContact O-C 3.58Å; Y90-V179 WeakPolarHBondContact O-CA 3.24Å; Y90-L180 PolarHBondContact O-N 3.43Å | ||
| 91 | L | 92.3 | Very high | 72.1 | Confident | 7 Ų | 7 | 75.4 Ų | 75.4 | 4% | 0.037 | 44% | 0.439 | C | S | . | . | B | Isolated β-bridge | trans | -118.8 | 135.6 | -179.9 | -57 | -179.2 | 0 | 0 | 0 | 110.2 | L70 T89 L93 L146 L180 L183 | L70-L91 HydrophobicContact CD1-CD1 3.82Å; L70-L91 HydrophobicContact CD2-CD1 3.95Å; L70-L91 HydrophobicContact CG-CD1 4.37Å; T89-L91 WeakPolarHBondContact CG2-O 3.34Å; L91-L93 HydrophobicContact CB-CD2 4.14Å; L91-L93 HydrophobicContact CB-CG 4.07Å; L91-L93 PolarHBondContact O-N 3.45Å; L91-L146 HydrophobicContact CD1-CD1 3.88Å; L91-L146 HydrophobicContact CD2-CD1 4.3Å; L91-L180 CarbonylContact C-O 3.42Å; L91-L180 WeakPolarHBondContact CA-O 3.3Å; L91-L180 HydrophobicContact CD2-CB 3.83Å; L91-L180 HydrophobicContact CD2-CD1 4.33Å; L91-L180 HydrophobicContact CD2-CG 4.47Å; L91-L183 HydrophobicContact CD2-CD2 4.46Å |
| 92 | S | 91.7 | Very high | 74.7 | Confident | 14 Ų | 14 | 74.3 Ų | 74.3 | 10% | 0.098 | 43% | 0.429 | C | S | . | . | trans | -80.6 | 92.7 | 166.2 | -175 | 0 | 0 | 0 | 0 | 108.8 | L180 | S92-L180 PolarHBondContact N-O 3.08Š| ||
| 93 | L | 92.2 | Very high | 77.3 | Confident | 28 Ų | 28 | 68.5 Ų | 68.5 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | trans | -93.4 | 153.8 | 174.2 | -61.2 | -178.4 | 0 | 0 | 0 | 110.5 | I67 L70 L91 S95 L183 | I67-L93 HydrophobicContact CG1-CD2 4.46Å; L70-L93 HydrophobicContact CB-CD1 4.17Å; L70-L93 HydrophobicContact CD1-CD2 4.45Å; L91-L93 HydrophobicContact CB-CD2 4.14Å; L91-L93 HydrophobicContact CB-CG 4.07Å; L91-L93 PolarHBondContact O-N 3.45Å; L93-S95 PolarHBondContact O-N 2.85Å; L93-L183 HydrophobicContact CD2-CD1 3.55Å | ||
| 94 | P | 92.1 | Very high | 79.9 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | trans | -64.1 | 132.2 | 173.6 | 26.9 | -32.6 | 0 | 0 | 0 | 109.9 | I67 S96 V97 L106 H107 Y108 | I67-P94 HydrophobicContact CD1-CG 4.08Å; I67-P94 HydrophobicContact CG2-CG 3.94Å; P94-S96 VanDerWaalsContact C-N 3.27Å; P94-V97 HydrophobicContact CB-CG2 4.28Å; P94-V97 HydrophobicContact CG-CG2 4.07Å; P94-L106 HydrophobicContact CB-CB 4.36Å; P94-H107 CarbonylContact C-O 3.54Å; P94-H107 VanDerWaalsContact C-O 3.29Å; P94-H107 WeakPolarHBondContact CA-O 3.46Å; P94-H107 WeakPolarHBondContact CB-O 3.31Å; P94-Y108 HydrophobicContact CB-CD1 4.27Å; P94-Y108 HydrophobicContact CB-CD2 4.38Å; P94-Y108 HydrophobicContact CB-CE1 4.02Å; P94-Y108 HydrophobicContact CB-CE2 4.15Å; P94-Y108 HydrophobicContact CB-CG 4.44Å; P94-Y108 HydrophobicContact CG-CE1 4.28Å | ||
| 95 | S | 89.8 | Confident | 82.7 | Confident | 70 Ų | 70 | 61 Ų | 61 | 49% | 0.49 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -70.1 | -27.4 | 173.7 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | L93 H107 | L93-S95 PolarHBondContact O-N 2.85Å; S95-H107 PolarHBondContact N-O 3.16Å; S95-H107 PolarHBondContact OG-O 3.5Å |
| 96 | S | 92.1 | Very high | 85.4 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 154 | 173.1 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | P94 H107 | P94-S96 VanDerWaalsContact C-N 3.27Å; S96-H107 PolarHBondContact N-O 2.99Å; S96-H107 PolarHBondContact O-N 3.46Å; S96-H107 WeakPolarHBondContact OG-CB 3.47Å; S96-H107 PolarHBondContact OG-CD2 3.33Å; S96-H107 VanDerWaalsContact OG-CD2 3.27Å |
| 97 | V | 93.9 | Very high | 88 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 42% | 0.418 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118.5 | 174.5 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | L64 P94 L104 T105 L106 | L64-V97 HydrophobicContact CD2-CG1 4.27Å; P94-V97 HydrophobicContact CB-CG2 4.28Å; P94-V97 HydrophobicContact CG-CG2 4.07Å; V97-L104 HydrophobicContact CG1-CD1 3.64Å; V97-L104 HydrophobicContact CG1-CG 4.33Å; V97-T105 WeakPolarHBondContact CA-O 3.31Å; V97-L106 HydrophobicContact CB-CD2 4.13Å; V97-L106 HydrophobicContact CG1-CD2 3.7Å; V97-L106 HydrophobicContact CG2-CD2 3.56Å |
| 98 | C | 94.9 | Very high | 90.1 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.1 | -175.1 | -62.4 | 0 | 0 | 0 | 0 | 109.4 | L104 T105 | C98-L104 CarbonylContact O-C 3.54Å; C98-L104 WeakPolarHBondContact O-CA 3.48Å; C98-T105 PolarHBondContact N-O 3.49Å; C98-T105 PolarHBondContact O-N 3.26Å |
| 99 | L | 95.2 | Very high | 91.8 | Very high | 119 Ų | 119 | 50.1 Ų | 50.1 | 62% | 0.623 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.3 | 172.1 | 178.6 | 68 | 0 | 0 | 0 | 108.5 | L49 S103 L104 | L49-L99 HydrophobicContact CD1-CD1 3.62Å; L99-S103 WeakPolarHBondContact CA-O 3.46Å; L99-L104 HydrophobicContact CB-CD1 4.26Å; L99-L104 HydrophobicContact CD1-CB 4.4Å; L99-L104 HydrophobicContact CD1-CD1 4.28Å |
| 100 | D | 93 | Very high | 92.6 | Very high | 110 Ų | 110 | 48.9 Ų | 48.9 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 111.8 | 171.7 | -177.7 | 23.5 | 0 | 0 | 0 | 109.7 | T102 S103 | D100-T102 PolarHBondContact O-N 3.44Å; D100-S103 PolarHBondContact N-O 2.95Å; D100-S103 PolarHBondContact O-N 3.06Å |
| 101 | K | 92.1 | Very high | 92.8 | Very high | 184 Ų | 184 | 47.4 Ų | 47.4 | 80% | 0.8 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -105 | -175.2 | -58.9 | 168.1 | -172.3 | 168.1 | 0 | 112 | ||
| 102 | T | 91.7 | Very high | 92.4 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 41% | 0.405 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 7.6 | -179.6 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | L49 D50 D100 | L49-T102 WeakPolarHBondContact CA-O 3.45Å; L49-T102 WeakPolarHBondContact CB-O 3.3Å; L49-T102 WeakPolarHBondContact CG-O 3.35Å; L49-T102 PolarHBondContact N-O 3.25Å; D50-T102 HydrophobicContact CB-CG2 4.13Å; D100-T102 PolarHBondContact O-N 3.44Å |
| 103 | S | 94.1 | Very high | 92.3 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.6 | -179.5 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | E46 I47 L99 D100 | E46-S103 WeakPolarHBondContact CG-OG 3.39Å; E46-S103 WeakPolarHBondContact OE1-CB 3.47Å; E46-S103 PolarHBondContact OE1-OG 2.75Å; I47-S103 WeakPolarHBondContact O-CA 3.33Å; L99-S103 WeakPolarHBondContact CA-O 3.46Å; D100-S103 PolarHBondContact N-O 2.95Å; D100-S103 PolarHBondContact O-N 3.06Å |
| 104 | L | 96.5 | Very high | 92.2 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.1 | 173.7 | -178.3 | 79.4 | 0 | 0 | 0 | 109.8 | I47 L49 L60 L64 V97 C98 L99 | I47-L104 HydrophobicContact CB-CB 4.45Å; I47-L104 WeakPolarHBondContact CB-O 3.47Å; I47-L104 HydrophobicContact CD1-CD2 4.37Å; I47-L104 PolarHBondContact N-O 2.78Å; I47-L104 PolarHBondContact O-N 3.33Å; L49-L104 HydrophobicContact CD1-CB 4.17Å; L49-L104 HydrophobicContact CD2-CB 3.93Å; L49-L104 HydrophobicContact CG-CB 4.14Å; L60-L104 HydrophobicContact CD1-CD2 4.08Å; L60-L104 HydrophobicContact CD2-CD2 3.84Å; L60-L104 HydrophobicContact CG-CD2 4.21Å; L64-L104 HydrophobicContact CD1-CD2 3.92Å; L64-L104 HydrophobicContact CD2-CD2 4.46Å; V97-L104 HydrophobicContact CG1-CD1 3.64Å; V97-L104 HydrophobicContact CG1-CG 4.33Å; C98-L104 CarbonylContact O-C 3.54Å; C98-L104 WeakPolarHBondContact O-CA 3.48Å; L99-L104 HydrophobicContact CB-CD1 4.26Å; L99-L104 HydrophobicContact CD1-CB 4.4Å; L99-L104 HydrophobicContact CD1-CD1 4.28Å |
| 105 | T | 95.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.9 | -179.7 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | K45 E46 V97 C98 H107 | K45-T105 CarbonylContact O-C 3.59Å; K45-T105 WeakPolarHBondContact O-CA 3.28Å; E46-T105 HydrophobicContact CB-CG2 4.41Å; V97-T105 WeakPolarHBondContact CA-O 3.31Å; C98-T105 PolarHBondContact N-O 3.49Å; C98-T105 PolarHBondContact O-N 3.26Å; T105-H107 VanDerWaalsContact CG2-CE1 3.43Å; T105-H107 WeakPolarHBondContact CG2-CE1 3.42Å; T105-H107 WeakPolarHBondContact CG2-NE2 3.4Å |
| 106 | L | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115.9 | 172.3 | -53.4 | 176.8 | 0 | 0 | 0 | 108.7 | S44 K45 I47 F63 L64 P94 V97 Y108 | S44-L106 CarbonylContact C-O 3.59Å; S44-L106 WeakPolarHBondContact CA-O 3.33Å; K45-L106 HydrophobicContact CB-CB 4.45Å; K45-L106 PolarHBondContact N-O 2.88Å; K45-L106 PolarHBondContact O-N 3.3Å; I47-L106 HydrophobicContact CD1-CD1 4.2Å; F63-L106 HydrophobicContact CE1-CD1 3.88Å; L64-L106 HydrophobicContact CD2-CD2 3.94Å; P94-L106 HydrophobicContact CB-CB 4.36Å; V97-L106 HydrophobicContact CB-CD2 4.13Å; V97-L106 HydrophobicContact CG1-CD2 3.7Å; V97-L106 HydrophobicContact CG2-CD2 3.56Å; L106-Y108 HydrophobicContact CB-CD2 4.23Å; L106-Y108 HydrophobicContact CB-CE2 3.52Å; L106-Y108 HydrophobicContact CD1-CE2 4.31Å |
| 107 | H | 94.4 | Very high | 92.6 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.5 | 177.4 | -59.9 | -81.6 | 0 | 0 | 0 | 109.9 | S44 P94 S95 S96 T105 | S44-H107 WeakPolarHBondContact CB-ND1 3.27Å; S44-H107 PolarHBondContact OG-CE1 3.42Å; S44-H107 PolarHBondContact OG-ND1 2.89Å; P94-H107 CarbonylContact C-O 3.54Å; P94-H107 VanDerWaalsContact C-O 3.29Å; P94-H107 WeakPolarHBondContact CA-O 3.46Å; P94-H107 WeakPolarHBondContact CB-O 3.31Å; S95-H107 PolarHBondContact N-O 3.16Å; S95-H107 PolarHBondContact OG-O 3.5Å; S96-H107 PolarHBondContact N-O 2.99Å; S96-H107 PolarHBondContact O-N 3.46Å; S96-H107 WeakPolarHBondContact OG-CB 3.47Å; S96-H107 PolarHBondContact OG-CD2 3.33Å; S96-H107 VanDerWaalsContact OG-CD2 3.27Å; T105-H107 VanDerWaalsContact CG2-CE1 3.43Å; T105-H107 WeakPolarHBondContact CG2-CE1 3.42Å; T105-H107 WeakPolarHBondContact CG2-NE2 3.4Å |
| 108 | Y | 93 | Very high | 92.4 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 9% | 0.09 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 141 | 179.4 | -66.8 | -99.4 | 0 | 0 | 0 | 110.2 | I2 L42 W43 P94 L106 L110 | I2-Y108 HydrophobicContact CD1-CD1 4.41Å; I2-Y108 HydrophobicContact CD1-CG 3.94Å; L42-Y108 WeakPolarHBondContact CA-O 3.19Å; W43-Y108 AromaticContact CE3-CD2 3.6Å; W43-Y108 HydrophobicContact CE3-CD2 3.6Å; W43-Y108 HydrophobicContact CE3-CE2 4.34Å; W43-Y108 HydrophobicContact CE3-CG 4.15Å; W43-Y108 AromaticContact CZ3-CD2 3.58Å; W43-Y108 HydrophobicContact CZ3-CD2 3.58Å; W43-Y108 AromaticContact CZ3-CE2 3.86Å; W43-Y108 HydrophobicContact CZ3-CE2 3.86Å; W43-Y108 HydrophobicContact CZ3-CG 4.35Å; W43-Y108 PolarHBondContact N-O 2.68Å; W43-Y108 PolarHBondContact O-N 3.23Å; P94-Y108 HydrophobicContact CB-CD1 4.27Å; P94-Y108 HydrophobicContact CB-CD2 4.38Å; P94-Y108 HydrophobicContact CB-CE1 4.02Å; P94-Y108 HydrophobicContact CB-CE2 4.15Å; P94-Y108 HydrophobicContact CB-CG 4.44Å; P94-Y108 HydrophobicContact CG-CE1 4.28Å; L106-Y108 HydrophobicContact CB-CD2 4.23Å; L106-Y108 HydrophobicContact CB-CE2 3.52Å; L106-Y108 HydrophobicContact CD1-CE2 4.31Å; Y108-L110 PolarHBondContact O-N 2.9Å |
| 109 | P | 91.2 | Very high | 92.3 | Very high | 65 Ų | 65 | 39 Ų | 39 | 42% | 0.422 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 131.2 | 170.2 | -23.6 | 34.3 | 0 | 0 | 0 | 111.6 | S111 | P109-S111 PolarHBondContact O-N 3.01Å |
| 110 | L | 89 | Confident | 92.2 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 126.4 | 178.9 | -165.1 | 69.2 | 0 | 0 | 0 | 110.1 | M1 T36 Q41 W43 Y108 | M1-L110 VanDerWaalsContact N-CD1 3.33Å; T36-L110 HydrophobicContact CG2-CD1 4.01Å; T36-L110 HydrophobicContact CG2-CD2 4.34Å; Q41-L110 HydrophobicContact CB-CB 4.43Å; Q41-L110 VanDerWaalsContact O-CB 3.31Å; Q41-L110 WeakPolarHBondContact O-CB 3.46Å; Q41-L110 PolarHBondContact O-N 2.83Å; W43-L110 HydrophobicContact CB-CD1 4.05Å; Y108-L110 PolarHBondContact O-N 2.9Å |
| 111 | S | 88.9 | Confident | 91.9 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 137.4 | 170.9 | 157.1 | 0 | 0 | 0 | 0 | 111.4 | M1 P109 Y113 G114 F163 | M1-S111 PolarHBondContact N-O 2.99Å; P109-S111 PolarHBondContact O-N 3.01Å; S111-Y113 PolarHBondContact O-N 2.94Å; S111-G114 WeakPolarHBondContact OG-CA 3.41Å; S111-G114 PolarHBondContact OG-N 3.05Å; S111-G114 PolarHBondContact OG-O 2.64Å; S111-G114 VanDerWaalsContact OG-O 3.08Å; S111-F163 WeakPolarHBondContact CB-O 3.15Å; S111-F163 PolarHBondContact OG-O 2.91Å |
| 112 | D | 84.4 | Confident | 91.7 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 40% | 0.396 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -63.8 | -38.4 | -176.7 | -59.1 | -86.6 | 0 | 0 | 0 | 113.8 | K165 | D112-K165 HydrophobicContact CB-CB 4.44Å; D112-K165 HydrophobicContact CB-CD 3.87Å; D112-K165 HydrophobicContact CB-CG 3.76Å; D112-K165 VanDerWaalsContact CG-CG 3.49Å; D112-K165 WeakPolarHBondContact OD1-CD 3.14Å; D112-K165 VanDerWaalsContact OD2-CB 3.31Å; D112-K165 WeakPolarHBondContact OD2-CB 3.47Å; D112-K165 PolarHBondContact OD2-N 3.16Å |
| 113 | Y | 88.6 | Confident | 91.6 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 5% | 0.051 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -117.8 | 0 | -174.5 | -65.3 | -74.7 | 0 | 0 | 0 | 113.2 | S111 F163 K165 V176 T334 L337 D338 H341 | S111-Y113 PolarHBondContact O-N 2.94Å; Y113-F163 HydrophobicContact CD2-CB 4.35Å; Y113-K165 HydrophobicContact CD2-CG 4.34Å; Y113-K165 HydrophobicContact CE2-CD 4.06Å; Y113-K165 HydrophobicContact CE2-CG 3.72Å; Y113-K165 WeakPolarHBondContact OH-CE 3.44Å; Y113-V176 HydrophobicContact CD2-CG1 4.38Å; Y113-V176 HydrophobicContact CD2-CG2 4.37Å; Y113-V176 HydrophobicContact CE2-CG2 3.89Å; Y113-T334 HydrophobicContact CE2-CG2 4.17Å; Y113-T334 WeakPolarHBondContact OH-CB 3.33Å; Y113-T334 WeakPolarHBondContact OH-CG2 3.2Å; Y113-L337 HydrophobicContact CD1-CB 4.13Å; Y113-L337 HydrophobicContact CD1-CD1 4.47Å; Y113-L337 HydrophobicContact CD2-CD1 3.69Å; Y113-L337 HydrophobicContact CE1-CB 4.07Å; Y113-L337 HydrophobicContact CE2-CB 4.47Å; Y113-L337 HydrophobicContact CE2-CD1 4.11Å; Y113-L337 HydrophobicContact CG-CB 4.35Å; Y113-L337 HydrophobicContact CG-CD1 3.88Å; Y113-D338 WeakPolarHBondContact CE1-OD1 3.32Å; Y113-D338 PolarHBondContact OH-OD1 3Å; Y113-H341 AromaticContact CD1-CD2 3.6Å; Y113-H341 AromaticContact CD1-NE2 3.65Å |
| 114 | G | 91.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | trans | 74.4 | -152.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 S111 F163 | M1-G114 WeakPolarHBondContact O-CA 3.2Å; S111-G114 WeakPolarHBondContact OG-CA 3.41Å; S111-G114 PolarHBondContact OG-N 3.05Å; S111-G114 PolarHBondContact OG-O 2.64Å; S111-G114 VanDerWaalsContact OG-O 3.08Å; G114-F163 PolarHBondContact O-N 3.2Å | ||
| 115 | S | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -92 | 164.9 | -177.5 | 68.4 | 0 | 0 | 0 | 0 | 113 | H117 D118 I119 K159 L161 | S115-H117 PolarHBondContact O-N 3.09Å; S115-H117 PolarHBondContact OG-N 3.33Å; S115-D118 WeakPolarHBondContact CB-OD2 3.27Å; S115-D118 PolarHBondContact N-OD2 3.22Å; S115-D118 WeakPolarHBondContact O-CB 3.48Å; S115-D118 PolarHBondContact O-N 2.7Å; S115-D118 VanDerWaalsContact O-N 3.08Å; S115-D118 PolarHBondContact OG-N 3.27Å; S115-D118 PolarHBondContact OG-OD2 2.94Å; S115-I119 PolarHBondContact O-N 2.98Å; S115-K159 WeakPolarHBondContact CB-O 3.46Å; S115-L161 CarbonylContact C-O 3.58Å; S115-L161 WeakPolarHBondContact CA-O 3.39Å |
| 116 | V | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.7 | -39.2 | 167.8 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | D118 I119 L120 L127 I135 L161 F163 M257 | V116-D118 VanDerWaalsContact C-N 3.34Å; V116-D118 PolarHBondContact O-N 2.98Å; V116-I119 PolarHBondContact O-N 3.22Å; V116-L120 HydrophobicContact CG1-CD1 3.83Å; V116-L120 HydrophobicContact CG1-CG 4.31Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.2Å; V116-L120 PolarHBondContact O-N 3.45Å; V116-L127 HydrophobicContact CG1-CD1 4.26Å; V116-I135 HydrophobicContact CG2-CD1 4.26Å; V116-I135 HydrophobicContact CG2-CG2 4.06Å; V116-L161 HydrophobicContact CB-CB 4.01Å; V116-L161 HydrophobicContact CB-CD1 4.37Å; V116-L161 HydrophobicContact CG2-CB 3.53Å; V116-L161 HydrophobicContact CG2-CD1 4Å; V116-L161 HydrophobicContact CG2-CG 4.39Å; V116-L161 PolarHBondContact N-O 3.46Å; V116-F163 HydrophobicContact CB-CE2 4.43Å; V116-F163 HydrophobicContact CG2-CE1 4.41Å; V116-F163 HydrophobicContact CG2-CE2 3.82Å; V116-F163 HydrophobicContact CG2-CZ 3.64Å; V116-M257 HydrophobicContact CG1-CG 3.64Å; V116-M257 HydrophobicContact CG1-SD 3.84Å |
| 117 | H | 92.6 | Very high | 90.6 | Very high | 31 Ų | 31 | 35.2 Ų | 35.2 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 175 | -176.3 | 74.6 | 0 | 0 | 0 | 112.7 | S115 I119 L120 R121 S158 K159 E256 | S115-H117 PolarHBondContact O-N 3.09Å; S115-H117 PolarHBondContact OG-N 3.33Å; H117-I119 VanDerWaalsContact C-N 3.34Å; H117-I119 PolarHBondContact O-N 3.17Å; H117-L120 PolarHBondContact O-N 2.96Å; H117-R121 WeakPolarHBondContact O-CG 3.49Å; H117-R121 PolarHBondContact O-N 3.04Å; H117-S158 PolarHBondContact N-O 3.15Å; H117-K159 HydrophobicContact CB-CB 4.31Å; H117-K159 HydrophobicContact CB-CG 3.64Å; H117-K159 WeakPolarHBondContact NE2-CE 3.46Å; H117-E256 IonicContact ND1-OE1 2.83Å |
| 118 | D | 90.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 34.5 Ų | 34.5 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 179.5 | -61.2 | -51 | 0 | 0 | 0 | 111.5 | S115 V116 K122 | S115-D118 WeakPolarHBondContact CB-OD2 3.27Å; S115-D118 PolarHBondContact N-OD2 3.22Å; S115-D118 WeakPolarHBondContact O-CB 3.48Å; S115-D118 PolarHBondContact O-N 2.7Å; S115-D118 VanDerWaalsContact O-N 3.08Å; S115-D118 PolarHBondContact OG-N 3.27Å; S115-D118 PolarHBondContact OG-OD2 2.94Å; V116-D118 VanDerWaalsContact C-N 3.34Å; V116-D118 PolarHBondContact O-N 2.98Å; D118-K122 VanDerWaalsContact O-CG 3.3Å; D118-K122 WeakPolarHBondContact O-CG 3.3Å; D118-K122 PolarHBondContact O-N 3.15Å; D118-K122 VanDerWaalsContact O-N 3.13Å |
| 119 | I | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.1 | -44.4 | 176.2 | -60.8 | -59.5 | 0 | 0 | 0 | 111.1 | S115 V116 H117 R121 K122 K123 L127 F163 L340 H341 | S115-I119 PolarHBondContact O-N 2.98Å; V116-I119 PolarHBondContact O-N 3.22Å; H117-I119 VanDerWaalsContact C-N 3.34Å; H117-I119 PolarHBondContact O-N 3.17Å; I119-R121 PolarHBondContact O-N 3.15Å; I119-K122 PolarHBondContact O-N 3.36Å; I119-K123 VanDerWaalsContact O-CB 3.27Å; I119-K123 WeakPolarHBondContact O-CB 3.2Å; I119-K123 PolarHBondContact O-N 2.6Å; I119-L127 HydrophobicContact CG2-CD2 3.76Å; I119-F163 HydrophobicContact CB-CE2 4.39Å; I119-F163 HydrophobicContact CG1-CD2 4.06Å; I119-F163 HydrophobicContact CG1-CE2 3.57Å; I119-L340 HydrophobicContact CG2-CB 3.96Å; I119-L340 HydrophobicContact CG2-CD1 3.88Å; I119-H341 WeakPolarHBondContact CD1-CD2 3.46Å; I119-H341 WeakPolarHBondContact CD1-NE2 3.02Å |
| 120 | L | 92.1 | Very high | 90.8 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 178.9 | -73.9 | 167.8 | 0 | 0 | 0 | 112.1 | V116 H117 K122 K123 G124 L127 E256 | V116-L120 HydrophobicContact CG1-CD1 3.83Å; V116-L120 HydrophobicContact CG1-CG 4.31Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.2Å; V116-L120 PolarHBondContact O-N 3.45Å; H117-L120 PolarHBondContact O-N 2.96Å; L120-K122 PolarHBondContact O-N 3.05Å; L120-K123 PolarHBondContact O-N 2.99Å; L120-G124 PolarHBondContact O-N 3.3Å; L120-L127 HydrophobicContact CD2-CD1 4.43Å; L120-L127 HydrophobicContact CD2-CD2 3.88Å; L120-L127 HydrophobicContact CD2-CG 3.76Å; L120-L127 HydrophobicContact CG-CD2 4.39Å; L120-L127 HydrophobicContact CG-CG 4.45Å; L120-E256 HydrophobicContact CD1-CG 3.82Å |
| 121 | R | 88.1 | Confident | 91.1 | Very high | 111 Ų | 111 | 38.4 Ų | 38.4 | 42% | 0.419 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 177.5 | -76.8 | -71.7 | -68.5 | -152 | -10.6 | 112.1 | H117 I119 D219 S221 | H117-R121 WeakPolarHBondContact O-CG 3.49Å; H117-R121 PolarHBondContact O-N 3.04Å; I119-R121 PolarHBondContact O-N 3.15Å; R121-D219 IonicContact CZ-OD1 2.86Å; R121-D219 IonicContact CZ-OD2 2.63Å; R121-D219 VanDerWaalsContact CZ-OD2 3.3Å; R121-D219 IonicContact NH1-OD1 2.82Å; R121-D219 PolarHBondContact NH1-OD1 2.86Å; R121-D219 IonicContact NH1-OD2 3.28Å; R121-D219 PolarHBondContact NH1-OD2 3.47Å; R121-D219 IonicContact NH2-OD1 3.94Å; R121-D219 IonicContact NH2-OD2 3.3Å; R121-D219 PolarHBondContact NH2-OD2 3.42Å; R121-S221 PolarHBondContact NH1-OG 3.39Å |
| 122 | K | 88 | Confident | 91.5 | Very high | 114 Ų | 114 | 38 Ų | 38 | 50% | 0.496 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.2 | -41.8 | 178 | -73 | 174.1 | -175 | 176.8 | 0 | 112.5 | D118 I119 L120 H341 | D118-K122 VanDerWaalsContact O-CG 3.3Å; D118-K122 WeakPolarHBondContact O-CG 3.3Å; D118-K122 PolarHBondContact O-N 3.15Å; D118-K122 VanDerWaalsContact O-N 3.13Å; I119-K122 PolarHBondContact O-N 3.36Å; L120-K122 PolarHBondContact O-N 3.05Å; K122-H341 PolarHBondContact NZ-CE1 2.97Å |
| 123 | K | 88.3 | Confident | 92.2 | Very high | 89 Ų | 89 | 34.6 Ų | 34.6 | 39% | 0.387 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.4 | -33.6 | -179.8 | -172.7 | -178 | -179.7 | 61.2 | 0 | 112.7 | I119 L120 G125 G126 L127 L340 | I119-K123 VanDerWaalsContact O-CB 3.27Å; I119-K123 WeakPolarHBondContact O-CB 3.2Å; I119-K123 PolarHBondContact O-N 2.6Å; L120-K123 PolarHBondContact O-N 2.99Å; K123-G125 VanDerWaalsContact C-N 3.31Å; K123-G125 PolarHBondContact O-N 2.92Å; K123-G126 WeakPolarHBondContact CD-O 3.41Å; K123-G126 WeakPolarHBondContact CE-O 3.21Å; K123-L127 HydrophobicContact CD-CD2 4.15Å; K123-L340 HydrophobicContact CD-CD2 3.87Å; K123-L340 HydrophobicContact CG-CD2 4.47Å |
| 124 | G | 86 | Confident | 92.6 | Very high | 67 Ų | 67 | 34 Ų | 34 | 69% | 0.691 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 24.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | L120 | L120-G124 PolarHBondContact O-N 3.3Š|
| 125 | G | 89.1 | Confident | 92.9 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -177 | 178.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K123 G260 | K123-G125 VanDerWaalsContact C-N 3.31Å; K123-G125 PolarHBondContact O-N 2.92Å; G125-G260 VanDerWaalsContact C-CA 3.45Å |
| 126 | G | 92 | Very high | 93.1 | Very high | 20 Ų | 20 | 34 Ų | 34 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | trans | -66.4 | 154.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K123 G128 M257 F258 | K123-G126 WeakPolarHBondContact CD-O 3.41Å; K123-G126 WeakPolarHBondContact CE-O 3.21Å; G126-G128 VanDerWaalsContact C-N 3.26Å; G126-G128 PolarHBondContact O-N 2.91Å; G126-M257 CarbonylContact C-O 3.32Å; G126-M257 VanDerWaalsContact CA-O 3.31Å; G126-M257 WeakPolarHBondContact CA-O 3.47Å; G126-F258 WeakPolarHBondContact CA-O 3.41Å | ||
| 127 | L | 93.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | trans | -74.3 | -14.3 | 179.4 | -58.4 | -175.5 | 0 | 0 | 0 | 113.6 | V116 I119 L120 K123 L131 I135 M257 L340 | V116-L127 HydrophobicContact CG1-CD1 4.26Å; I119-L127 HydrophobicContact CG2-CD2 3.76Å; L120-L127 HydrophobicContact CD2-CD1 4.43Å; L120-L127 HydrophobicContact CD2-CD2 3.88Å; L120-L127 HydrophobicContact CD2-CG 3.76Å; L120-L127 HydrophobicContact CG-CD2 4.39Å; L120-L127 HydrophobicContact CG-CG 4.45Å; K123-L127 HydrophobicContact CD-CD2 4.15Å; L127-L131 HydrophobicContact CB-CB 4.29Å; L127-L131 HydrophobicContact CB-CD2 4.1Å; L127-L131 HydrophobicContact CB-CG 4.27Å; L127-L131 HydrophobicContact CD1-CD2 4.35Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 HydrophobicContact CD2-CD2 4.46Å; L127-I135 HydrophobicContact CD1-CD1 3.59Å; L127-M257 HydrophobicContact CD1-CB 4.25Å; L127-M257 HydrophobicContact CD1-CG 4.01Å; L127-M257 HydrophobicContact CD1-SD 4.18Å; L127-M257 PolarHBondContact N-O 3.13Å; L127-L340 HydrophobicContact CD2-CD1 4.26Å | ||
| 128 | G | 92.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 26% | 0.258 | 19% | 0.186 | S | C | . | . | trans | 80.5 | 156.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G126 K130 L131 A132 | G126-G128 VanDerWaalsContact C-N 3.26Å; G126-G128 PolarHBondContact O-N 2.91Å; G128-K130 PolarHBondContact O-N 3.06Å; G128-L131 PolarHBondContact O-N 3.01Å; G128-A132 WeakPolarHBondContact O-CB 3.17Å; G128-A132 PolarHBondContact O-N 3.47Å | ||
| 129 | E | 95 | Very high | 93.7 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | -170.7 | 178.9 | 168 | 169.3 | 0 | 0 | 113 | L131 A132 C133 F258 S294 M297 W323 | E129-L131 PolarHBondContact O-N 3.38Å; E129-A132 PolarHBondContact O-N 3.14Å; E129-C133 WeakPolarHBondContact O-CB 3.24Å; E129-C133 PolarHBondContact O-N 2.75Å; E129-F258 HydrophobicContact CB-CE2 4.19Å; E129-S294 WeakPolarHBondContact OE1-CB 3.47Å; E129-S294 PolarHBondContact OE1-OG 3.45Å; E129-S294 WeakPolarHBondContact OE2-CB 3.09Å; E129-S294 PolarHBondContact OE2-N 3.44Å; E129-S294 PolarHBondContact OE2-OG 3.27Å; E129-M297 HydrophobicContact CB-SD 4.03Å; E129-M297 HydrophobicContact CG-CB 4.46Å; E129-M297 HydrophobicContact CG-SD 3.62Å; E129-M297 WeakPolarHBondContact OE1-CB 3.38Å; E129-W323 HydrophobicContact CG-CZ2 4.25Å; E129-W323 PolarHBondContact OE1-NE1 2.98Å |
| 130 | K | 95.4 | Very high | 94 | Very high | 140 Ų | 140 | 33.4 Ų | 33.4 | 61% | 0.609 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -58.6 | -47.4 | -177.4 | -176 | -174.9 | 175.2 | -167.8 | 0 | 112.4 | G128 C133 A134 T330 | G128-K130 PolarHBondContact O-N 3.06Å; K130-C133 WeakPolarHBondContact O-CB 3.07Å; K130-A134 PolarHBondContact O-N 3.42Å; K130-A134 VanDerWaalsContact O-N 3.1Å; K130-T330 HydrophobicContact CG-CG2 4.12Å |
| 131 | L | 96.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.2 | -39.9 | 179.9 | -178.5 | 55.4 | 0 | 0 | 0 | 111.2 | L127 G128 E129 C133 A134 I135 I332 E336 L337 L340 | L127-L131 HydrophobicContact CB-CB 4.29Å; L127-L131 HydrophobicContact CB-CD2 4.1Å; L127-L131 HydrophobicContact CB-CG 4.27Å; L127-L131 HydrophobicContact CD1-CD2 4.35Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 HydrophobicContact CD2-CD2 4.46Å; G128-L131 PolarHBondContact O-N 3.01Å; E129-L131 PolarHBondContact O-N 3.38Å; L131-C133 VanDerWaalsContact C-N 3.31Å; L131-C133 PolarHBondContact O-N 3.15Å; L131-A134 PolarHBondContact O-N 3.15Å; L131-I135 HydrophobicContact CD1-CD1 4.01Å; L131-I135 HydrophobicContact CD1-CG1 4.21Å; L131-I135 HydrophobicContact CG-CD1 3.87Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.36Å; L131-I135 PolarHBondContact O-N 3.09Å; L131-I332 HydrophobicContact CD1-CD1 4.26Å; L131-I332 HydrophobicContact CD1-CG1 4.04Å; L131-I332 HydrophobicContact CD1-CG2 3.85Å; L131-E336 HydrophobicContact CD2-CG 4.48Å; L131-L337 HydrophobicContact CD2-CD2 4.36Å; L131-L340 HydrophobicContact CD2-CD1 3.52Å |
| 132 | A | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G128 E129 I135 V136 L254 M257 | G128-A132 WeakPolarHBondContact O-CB 3.17Å; G128-A132 PolarHBondContact O-N 3.47Å; E129-A132 PolarHBondContact O-N 3.14Å; A132-I135 PolarHBondContact O-N 3.28Å; A132-V136 WeakPolarHBondContact O-CB 3.01Å; A132-V136 WeakPolarHBondContact O-CG2 3.49Å; A132-V136 PolarHBondContact O-N 2.95Å; A132-L254 HydrophobicContact CB-CD1 4.1Å; A132-M257 HydrophobicContact CB-CB 4.05Å; A132-M257 HydrophobicContact CB-CE 4.37Å |
| 133 | C | 98.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.7 | -49.3 | 174.6 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | E129 K130 L131 I135 V136 G137 W323 G327 | E129-C133 WeakPolarHBondContact O-CB 3.24Å; E129-C133 PolarHBondContact O-N 2.75Å; K130-C133 WeakPolarHBondContact O-CB 3.07Å; L131-C133 VanDerWaalsContact C-N 3.31Å; L131-C133 PolarHBondContact O-N 3.15Å; C133-I135 PolarHBondContact O-N 2.97Å; C133-V136 PolarHBondContact O-N 3.37Å; C133-G137 PolarHBondContact O-N 3.4Å; C133-W323 HydrophobicContact CB-CD2 4.41Å; C133-W323 HydrophobicContact CB-CH2 3.8Å; C133-W323 HydrophobicContact CB-CZ2 3.47Å; C133-W323 VanDerWaalsContact CB-CZ2 3.47Å; C133-W323 HydrophobicContact CB-CZ3 4.36Å; C133-W323 PolarHBondContact SG-O 2.9Å; C133-G327 VanDerWaalsContact O-CA 3.31Å; C133-G327 WeakPolarHBondContact O-CA 3.47Å; C133-G327 WeakPolarHBondContact SG-CA 3.29Å; C133-G327 PolarHBondContact SG-N 3.43Å |
| 134 | A | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K130 L131 R138 T330 I332 | K130-A134 PolarHBondContact O-N 3.42Å; K130-A134 VanDerWaalsContact O-N 3.1Å; L131-A134 PolarHBondContact O-N 3.15Å; A134-R138 WeakPolarHBondContact O-CD 3.48Å; A134-R138 PolarHBondContact O-N 3.29Å; A134-R138 PolarHBondContact O-NH1 3.4Å; A134-T330 HydrophobicContact CB-CG2 3.87Å; A134-I332 HydrophobicContact CB-CD1 4.05Å; A134-I332 HydrophobicContact CB-CG1 3.67Å |
| 135 | I | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -51.7 | 179 | -67.2 | 164.3 | 0 | 0 | 0 | 110.8 | V116 L127 L131 A132 C133 G137 R138 V139 L161 F163 V178 M257 I332 | V116-I135 HydrophobicContact CG2-CD1 4.26Å; V116-I135 HydrophobicContact CG2-CG2 4.06Å; L127-I135 HydrophobicContact CD1-CD1 3.59Å; L131-I135 HydrophobicContact CD1-CD1 4.01Å; L131-I135 HydrophobicContact CD1-CG1 4.21Å; L131-I135 HydrophobicContact CG-CD1 3.87Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.36Å; L131-I135 PolarHBondContact O-N 3.09Å; A132-I135 PolarHBondContact O-N 3.28Å; C133-I135 PolarHBondContact O-N 2.97Å; I135-G137 VanDerWaalsContact C-N 3.25Å; I135-G137 PolarHBondContact O-N 3.24Å; I135-R138 PolarHBondContact O-N 3.33Å; I135-V139 HydrophobicContact CG2-CG2 4.22Å; I135-V139 WeakPolarHBondContact O-CG2 3.25Å; I135-V139 PolarHBondContact O-N 2.84Å; I135-L161 HydrophobicContact CG2-CD1 4.25Å; I135-F163 HydrophobicContact CD1-CE1 3.98Å; I135-F163 HydrophobicContact CD1-CZ 3.77Å; I135-F163 HydrophobicContact CG1-CE1 4.07Å; I135-F163 HydrophobicContact CG1-CZ 4.36Å; I135-V178 HydrophobicContact CG1-CG2 4.22Å; I135-V178 HydrophobicContact CG2-CG1 4.46Å; I135-V178 HydrophobicContact CG2-CG2 4.23Å; I135-M257 HydrophobicContact CB-CE 4.4Å; I135-M257 HydrophobicContact CB-SD 3.9Å; I135-M257 HydrophobicContact CD1-SD 3.91Å; I135-M257 HydrophobicContact CG2-CE 4.1Å; I135-M257 HydrophobicContact CG2-SD 3.55Å; I135-M257 VanDerWaalsContact CG2-SD 3.55Å; I135-I332 HydrophobicContact CG1-CD1 3.8Å |
| 136 | V | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.6 | -42.4 | 179.7 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | A132 C133 R138 V139 V140 L250 L254 M257 W323 I324 | A132-V136 WeakPolarHBondContact O-CB 3.01Å; A132-V136 WeakPolarHBondContact O-CG2 3.49Å; A132-V136 PolarHBondContact O-N 2.95Å; C133-V136 PolarHBondContact O-N 3.37Å; V136-R138 VanDerWaalsContact C-N 3.3Å; V136-R138 PolarHBondContact O-N 3.17Å; V136-V139 PolarHBondContact O-N 3.46Å; V136-V139 VanDerWaalsContact O-N 3.1Å; V136-V140 HydrophobicContact CG1-CG2 4.13Å; V136-V140 WeakPolarHBondContact O-CG2 3.43Å; V136-V140 PolarHBondContact O-N 3.08Å; V136-L250 HydrophobicContact CG1-CD1 4.16Å; V136-L250 HydrophobicContact CG1-CD2 4.3Å; V136-L250 HydrophobicContact CG1-CG 4.45Å; V136-L250 HydrophobicContact CG2-CD1 4.35Å; V136-L254 HydrophobicContact CG2-CB 4.31Å; V136-L254 HydrophobicContact CG2-CD1 3.97Å; V136-M257 HydrophobicContact CG2-CE 3.41Å; V136-M257 VanDerWaalsContact CG2-CE 3.41Å; V136-W323 HydrophobicContact CB-CH2 4.31Å; V136-W323 HydrophobicContact CB-CZ3 3.95Å; V136-W323 HydrophobicContact CG1-CZ3 3.92Å; V136-W323 HydrophobicContact CG2-CH2 4.35Å; V136-W323 HydrophobicContact CG2-CZ3 4.36Å; V136-I324 HydrophobicContact CG1-CD1 3.57Å |
| 137 | G | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -53.8 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | C133 I135 V140 L141 L328 | C133-G137 PolarHBondContact O-N 3.4Å; I135-G137 VanDerWaalsContact C-N 3.25Å; I135-G137 PolarHBondContact O-N 3.24Å; G137-V140 PolarHBondContact O-N 2.96Å; G137-L141 PolarHBondContact O-N 3.08Å; G137-L328 VanDerWaalsContact C-CD2 3.43Å; G137-L328 VanDerWaalsContact O-CD2 3.28Å; G137-L328 WeakPolarHBondContact O-CD2 3.34Å |
| 138 | R | 95.5 | Very high | 95.5 | Very high | 38 Ų | 38 | 24.8 Ų | 24.8 | 14% | 0.143 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 177.1 | -80.3 | 78.7 | -175 | 156 | 5.3 | 111.5 | A134 I135 V136 V140 L141 C142 V178 G327 L328 T330 | A134-R138 WeakPolarHBondContact O-CD 3.48Å; A134-R138 PolarHBondContact O-N 3.29Å; A134-R138 PolarHBondContact O-NH1 3.4Å; I135-R138 PolarHBondContact O-N 3.33Å; V136-R138 VanDerWaalsContact C-N 3.3Å; V136-R138 PolarHBondContact O-N 3.17Å; R138-V140 VanDerWaalsContact C-N 3.31Å; R138-V140 PolarHBondContact O-N 3.28Å; R138-L141 WeakPolarHBondContact O-CB 3.46Å; R138-L141 PolarHBondContact O-N 2.95Å; R138-C142 PolarHBondContact O-N 2.82Å; R138-C142 PolarHBondContact O-SG 2.97Å; R138-V178 HydrophobicContact CB-CB 3.82Å; R138-V178 HydrophobicContact CB-CG2 4.36Å; R138-V178 HydrophobicContact CG-CB 4.41Å; R138-G327 PolarHBondContact NH1-O 2.87Å; R138-L328 PolarHBondContact NH2-O 3.48Å; R138-T330 VanDerWaalsContact CZ-O 3.29Å; R138-T330 PolarHBondContact NH1-O 3.16Å; R138-T330 VanDerWaalsContact NH1-O 3.08Å; R138-T330 PolarHBondContact NH2-O 3.49Å |
| 139 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | I135 V136 L141 C142 L143 L156 L161 V178 L180 L250 | I135-V139 HydrophobicContact CG2-CG2 4.22Å; I135-V139 WeakPolarHBondContact O-CG2 3.25Å; I135-V139 PolarHBondContact O-N 2.84Å; V136-V139 PolarHBondContact O-N 3.46Å; V136-V139 VanDerWaalsContact O-N 3.1Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 2.83Å; V139-C142 PolarHBondContact O-N 2.73Å; V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 HydrophobicContact CG1-CG 4.28Å; V139-L143 WeakPolarHBondContact O-CB 3.42Å; V139-L143 WeakPolarHBondContact O-CG 3.49Å; V139-L143 PolarHBondContact O-N 2.76Å; V139-L156 HydrophobicContact CG1-CD2 4.24Å; V139-L161 HydrophobicContact CG1-CD2 4.17Å; V139-L161 HydrophobicContact CG2-CD1 3.75Å; V139-L161 HydrophobicContact CG2-CD2 3.66Å; V139-L161 HydrophobicContact CG2-CG 4.28Å; V139-V178 HydrophobicContact CG2-CG1 4.17Å; V139-L180 HydrophobicContact CG1-CD2 4.23Å; V139-L250 HydrophobicContact CB-CD1 3.99Å; V139-L250 HydrophobicContact CG1-CD1 3.59Å |
| 140 | V | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 111 | V136 G137 R138 C142 L143 D144 L250 L318 L319 I324 | V136-V140 HydrophobicContact CG1-CG2 4.13Å; V136-V140 WeakPolarHBondContact O-CG2 3.43Å; V136-V140 PolarHBondContact O-N 3.08Å; G137-V140 PolarHBondContact O-N 2.96Å; R138-V140 VanDerWaalsContact C-N 3.31Å; R138-V140 PolarHBondContact O-N 3.28Å; V140-C142 VanDerWaalsContact C-N 3.35Å; V140-C142 PolarHBondContact O-N 2.99Å; V140-L143 PolarHBondContact O-N 3.18Å; V140-D144 WeakPolarHBondContact O-CB 3.44Å; V140-D144 PolarHBondContact O-N 3.08Å; V140-L250 HydrophobicContact CG2-CD2 3.57Å; V140-L318 HydrophobicContact CG1-CB 3.85Å; V140-L318 HydrophobicContact CG1-CD1 4.5Å; V140-L318 HydrophobicContact CG2-CB 4.29Å; V140-L318 HydrophobicContact CG2-CD1 4.02Å; V140-L319 HydrophobicContact CB-CD2 4.42Å; V140-L319 HydrophobicContact CG1-CD2 3.69Å; V140-L319 HydrophobicContact CG1-CG 3.67Å; V140-I324 HydrophobicContact CG2-CD1 4.19Å |
| 141 | L | 95.5 | Very high | 95 | Very high | 50 Ų | 50 | 18.4 Ų | 18.4 | 26% | 0.262 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -61 | -43.2 | 173.7 | -74.5 | 174.6 | 0 | 0 | 0 | 112.3 | Y90 G137 R138 V139 D144 Q145 L319 L328 | Y90-L141 HydrophobicContact CD1-CB 4.18Å; Y90-L141 HydrophobicContact CE1-CB 3.95Å; Y90-L141 HydrophobicContact CE1-CD1 4.32Å; G137-L141 PolarHBondContact O-N 3.08Å; R138-L141 WeakPolarHBondContact O-CB 3.46Å; R138-L141 PolarHBondContact O-N 2.95Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 2.83Å; L141-D144 PolarHBondContact O-N 3.31Å; L141-Q145 WeakPolarHBondContact O-CG 3.37Å; L141-Q145 PolarHBondContact O-N 2.92Å; L141-L319 HydrophobicContact CD2-CD1 4.39Å; L141-L319 HydrophobicContact CD2-CD2 3.68Å; L141-L319 HydrophobicContact CG-CD2 4.11Å; L141-L328 HydrophobicContact CD1-CD2 3.39Å; L141-L328 HydrophobicContact CG-CD2 3.83Å |
| 142 | C | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | Y90 R138 V139 V140 L146 L180 | Y90-C142 PolarHBondContact O-SG 2.9Å; Y90-C142 VanDerWaalsContact O-SG 3.37Å; R138-C142 PolarHBondContact O-N 2.82Å; R138-C142 PolarHBondContact O-SG 2.97Å; V139-C142 PolarHBondContact O-N 2.73Å; V140-C142 VanDerWaalsContact C-N 3.35Å; V140-C142 PolarHBondContact O-N 2.99Å; C142-L146 WeakPolarHBondContact O-CB 3.36Å; C142-L146 PolarHBondContact O-N 3.1Å; C142-L180 HydrophobicContact CB-CD1 3.49Å; C142-L180 VanDerWaalsContact CB-CD1 3.49Å; C142-L180 HydrophobicContact CB-CD2 4.35Å; C142-L180 HydrophobicContact CB-CG 3.49Å; C142-L180 VanDerWaalsContact CB-CG 3.49Å |
| 143 | L | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66 | -41.1 | 176.4 | -72 | 176.9 | 0 | 0 | 0 | 111.7 | V139 V140 Q145 L146 H147 H153 L156 L180 D246 L250 T315 | V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 HydrophobicContact CG1-CG 4.28Å; V139-L143 WeakPolarHBondContact O-CB 3.42Å; V139-L143 WeakPolarHBondContact O-CG 3.49Å; V139-L143 PolarHBondContact O-N 2.76Å; V140-L143 PolarHBondContact O-N 3.18Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 3.43Å; L143-L146 PolarHBondContact O-N 3.02Å; L143-H147 VanDerWaalsContact O-CB 3.29Å; L143-H147 WeakPolarHBondContact O-CB 3.2Å; L143-H147 PolarHBondContact O-CD2 3.22Å; L143-H147 PolarHBondContact O-N 3.3Å; L143-H153 HydrophobicContact CD2-CB 4.36Å; L143-L156 HydrophobicContact CD1-CD2 3.94Å; L143-L156 HydrophobicContact CD2-CD2 4.19Å; L143-L156 HydrophobicContact CG-CD2 4.46Å; L143-L180 HydrophobicContact CD2-CD1 3.9Å; L143-L180 HydrophobicContact CG-CD1 4.27Å; L143-D246 HydrophobicContact CD1-CB 4.33Å; L143-D246 HydrophobicContact CD2-CB 4.01Å; L143-L250 HydrophobicContact CD1-CB 4.45Å; L143-L250 HydrophobicContact CD1-CD2 4.35Å; L143-T315 HydrophobicContact CB-CG2 3.8Å |
| 144 | D | 94.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 18.6 Ų | 18.6 | 12% | 0.118 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 178.9 | -169 | 68.1 | 0 | 0 | 0 | 110.9 | V140 L141 N148 T315 L319 | V140-D144 WeakPolarHBondContact O-CB 3.44Å; V140-D144 PolarHBondContact O-N 3.08Å; L141-D144 PolarHBondContact O-N 3.31Å; D144-N148 VanDerWaalsContact O-CB 3.26Å; D144-N148 WeakPolarHBondContact O-CB 3.39Å; D144-N148 PolarHBondContact O-N 3.31Å; D144-N148 PolarHBondContact O-ND2 3.31Å; D144-N148 PolarHBondContact OD2-ND2 3.15Å; D144-T315 HydrophobicContact CB-CG2 4.33Å; D144-T315 VanDerWaalsContact OD1-CB 3.32Å; D144-T315 WeakPolarHBondContact OD1-CB 3.45Å; D144-T315 PolarHBondContact OD1-OG1 3.09Å; D144-L319 HydrophobicContact CB-CD1 4.02Å |
| 145 | Q | 91.8 | Very high | 94 | Very high | 74 Ų | 74 | 18.7 Ų | 18.7 | 35% | 0.346 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -68.2 | -43 | 176.9 | -68.7 | -166.9 | -3.9 | 0 | 0 | 113.3 | Y90 L141 L143 H147 N148 S149 | Y90-Q145 VanDerWaalsContact CZ-NE2 3.33Å; L141-Q145 WeakPolarHBondContact O-CG 3.37Å; L141-Q145 PolarHBondContact O-N 2.92Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 3.43Å; Q145-H147 VanDerWaalsContact C-N 3.32Å; Q145-H147 PolarHBondContact O-N 3.32Å; Q145-N148 PolarHBondContact O-N 2.86Å; Q145-S149 PolarHBondContact O-N 3.02Å |
| 146 | L | 92.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 177.5 | -168.9 | 69 | 0 | 0 | 0 | 110.7 | L70 L91 C142 L143 S149 G150 L151 H153 M186 | L70-L146 HydrophobicContact CD1-CD1 4.25Å; L70-L146 HydrophobicContact CD2-CD1 4.28Å; L91-L146 HydrophobicContact CD1-CD1 3.88Å; L91-L146 HydrophobicContact CD2-CD1 4.3Å; C142-L146 WeakPolarHBondContact O-CB 3.36Å; C142-L146 PolarHBondContact O-N 3.1Å; L143-L146 PolarHBondContact O-N 3.02Å; L146-S149 WeakPolarHBondContact O-CB 3.41Å; L146-S149 PolarHBondContact O-N 3.19Å; L146-S149 VanDerWaalsContact O-N 3.13Å; L146-S149 PolarHBondContact O-OG 2.88Å; L146-G150 PolarHBondContact O-N 2.97Å; L146-L151 CarbonylContact C-O 3.57Å; L146-L151 VanDerWaalsContact C-O 3.32Å; L146-L151 HydrophobicContact CD1-CB 3.87Å; L146-L151 HydrophobicContact CD1-CD1 4.31Å; L146-L151 HydrophobicContact CG-CB 4.03Å; L146-L151 WeakPolarHBondContact CG-O 3.37Å; L146-L151 PolarHBondContact O-N 3.39Å; L146-L151 VanDerWaalsContact O-N 3.1Å; L146-L151 VanDerWaalsContact O-O 3.09Å; L146-H153 HydrophobicContact CD2-CB 3.76Å; L146-M186 HydrophobicContact CD1-SD 4.01Å |
| 147 | H | 92.8 | Very high | 93.6 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 177 | -67 | -175.5 | 0 | 0 | 0 | 111.7 | L143 Q145 S149 G150 L151 W243 D246 | L143-H147 VanDerWaalsContact O-CB 3.29Å; L143-H147 WeakPolarHBondContact O-CB 3.2Å; L143-H147 PolarHBondContact O-CD2 3.22Å; L143-H147 PolarHBondContact O-N 3.3Å; Q145-H147 VanDerWaalsContact C-N 3.32Å; Q145-H147 PolarHBondContact O-N 3.32Å; H147-S149 PolarHBondContact O-N 2.91Å; H147-G150 PolarHBondContact O-N 3.15Å; H147-L151 PolarHBondContact CD2-O 3.05Å; H147-W243 HydrophobicContact CB-CD2 4.3Å; H147-W243 HydrophobicContact CB-CE3 3.69Å; H147-W243 HydrophobicContact CB-CZ3 3.93Å; H147-W243 AromaticContact CD2-CE3 3.48Å; H147-W243 VanDerWaalsContact CD2-CE3 3.48Å; H147-W243 AromaticContact CD2-CZ3 3.88Å; H147-W243 PolarHBondContact CE1-O 3.45Å; H147-W243 AromaticContact CG-CE3 3.42Å; H147-W243 VanDerWaalsContact CG-CE3 3.42Å; H147-W243 AromaticContact CG-CZ3 3.99Å; H147-W243 AromaticContact ND1-CE3 3.92Å; H147-W243 AromaticContact NE2-CE3 3.99Å; H147-D246 IonicContact CD2-OD2 2.85Å; H147-D246 IonicContact CE1-OD2 3.41Å; H147-D246 IonicContact NE2-OD2 3.68Å; H147-D246 PolarHBondContact NE2-OD2 3.13Å |
| 148 | N | 89.7 | Confident | 93.5 | Very high | 97 Ų | 97 | 18.9 Ų | 18.9 | 52% | 0.519 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -64 | -24.7 | 174.4 | -72.2 | -34.3 | 0 | 0 | 0 | 112.4 | D144 Q145 G150 | D144-N148 VanDerWaalsContact O-CB 3.26Å; D144-N148 WeakPolarHBondContact O-CB 3.39Å; D144-N148 PolarHBondContact O-N 3.31Å; D144-N148 PolarHBondContact O-ND2 3.31Å; D144-N148 PolarHBondContact OD2-ND2 3.15Å; Q145-N148 PolarHBondContact O-N 2.86Å; N148-G150 PolarHBondContact O-N 2.68Å |
| 149 | S | 89.4 | Confident | 93.3 | Very high | 49 Ų | 49 | 19.1 Ų | 19.1 | 34% | 0.343 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.4 | 171.8 | 81.3 | 0 | 0 | 0 | 0 | 114 | Q145 L146 H147 | Q145-S149 PolarHBondContact O-N 3.02Å; L146-S149 WeakPolarHBondContact O-CB 3.41Å; L146-S149 PolarHBondContact O-N 3.19Å; L146-S149 VanDerWaalsContact O-N 3.13Å; L146-S149 PolarHBondContact O-OG 2.88Å; H147-S149 PolarHBondContact O-N 2.91Å |
| 150 | G | 90 | Very high | 93.2 | Very high | 16 Ų | 16 | 19.5 Ų | 19.5 | 17% | 0.165 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 14.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | L146 H147 N148 Q188 L189 W243 | L146-G150 PolarHBondContact O-N 2.97Å; H147-G150 PolarHBondContact O-N 3.15Å; N148-G150 PolarHBondContact O-N 2.68Å; G150-Q188 WeakPolarHBondContact O-CA 3.4Å; G150-L189 PolarHBondContact O-N 3.46Å; G150-W243 VanDerWaalsContact C-CH2 3.47Å |
| 151 | L | 92.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 6% | 0.063 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.8 | -175.1 | -64.1 | 178.8 | 0 | 0 | 0 | 112.5 | M66 L70 L146 H147 M186 Q188 W243 | M66-L151 HydrophobicContact CB-CD1 4.47Å; M66-L151 HydrophobicContact CG-CD2 4.17Å; M66-L151 HydrophobicContact SD-CD2 3.68Å; L70-L151 HydrophobicContact CD1-CD1 3.61Å; L70-L151 HydrophobicContact CD2-CD1 3.83Å; L70-L151 HydrophobicContact CG-CD1 3.66Å; L146-L151 CarbonylContact C-O 3.57Å; L146-L151 VanDerWaalsContact C-O 3.32Å; L146-L151 HydrophobicContact CD1-CB 3.87Å; L146-L151 HydrophobicContact CD1-CD1 4.31Å; L146-L151 HydrophobicContact CG-CB 4.03Å; L146-L151 WeakPolarHBondContact CG-O 3.37Å; L146-L151 PolarHBondContact O-N 3.39Å; L146-L151 VanDerWaalsContact O-N 3.1Å; L146-L151 VanDerWaalsContact O-O 3.09Å; H147-L151 PolarHBondContact CD2-O 3.05Å; L151-M186 HydrophobicContact CD1-CE 4.44Å; L151-M186 HydrophobicContact CD1-SD 4.16Å; L151-Q188 HydrophobicContact CD2-CB 4.07Å; L151-Q188 HydrophobicContact CD2-CG 4.4Å; L151-W243 WeakPolarHBondContact O-CZ3 3.1Å |
| 152 | L | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135 | 170.3 | -168.8 | 74 | 0 | 0 | 0 | 108.9 | R154 M186 A187 L189 Y241 S242 W243 D246 | L152-R154 HydrophobicContact CB-CB 4.43Å; L152-R154 HydrophobicContact CD2-CB 3.83Å; L152-R154 HydrophobicContact CD2-CG 4.09Å; L152-R154 HydrophobicContact CG-CB 4.01Å; L152-M186 WeakPolarHBondContact O-CA 3.46Å; L152-A187 PolarHBondContact N-O 2.92Å; L152-A187 PolarHBondContact O-N 2.81Å; L152-A187 VanDerWaalsContact O-N 3.1Å; L152-L189 HydrophobicContact CB-CD1 4.18Å; L152-L189 HydrophobicContact CD1-CD1 4.3Å; L152-Y241 HydrophobicContact CD2-CD2 3.62Å; L152-Y241 HydrophobicContact CD2-CE2 3.65Å; L152-S242 VanDerWaalsContact CD1-O 3.28Å; L152-S242 WeakPolarHBondContact CD1-O 3.49Å; L152-W243 HydrophobicContact CD1-CE3 4.1Å; L152-D246 HydrophobicContact CD1-CB 4.25Å; L152-D246 VanDerWaalsContact CD1-CG 3.49Å; L152-D246 VanDerWaalsContact CD1-OD2 3.24Å; L152-D246 WeakPolarHBondContact CD1-OD2 3.3Å |
| 153 | H | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -66.4 | -42.6 | 173.7 | -172.6 | -74.4 | 0 | 0 | 0 | 110.5 | L143 L146 G155 L156 H160 C181 D246 | L143-H153 HydrophobicContact CD2-CB 4.36Å; L146-H153 HydrophobicContact CD2-CB 3.76Å; H153-G155 VanDerWaalsContact ND1-C 3.33Å; H153-G155 PolarHBondContact ND1-N 3.35Å; H153-G155 PolarHBondContact O-N 2.86Å; H153-L156 HydrophobicContact CB-CB 4.48Å; H153-L156 VanDerWaalsContact ND1-CA 3.34Å; H153-L156 WeakPolarHBondContact ND1-CA 3.18Å; H153-L156 PolarHBondContact ND1-N 2.94Å; H153-H160 AromaticContact CE1-ND1 3.62Å; H153-C181 PolarHBondContact NE2-O 2.75Å; H153-D246 WeakPolarHBondContact CB-OD2 3.31Å; H153-D246 PolarHBondContact N-OD2 3.33Å | ||
| 154 | R | 91.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 20.1 Ų | 20.1 | 5% | 0.045 | 11% | 0.107 | C | C | . | . | trans | 68.7 | -14.6 | 168.6 | -170.4 | 168.7 | 63.3 | 162.9 | -3.7 | 115.8 | L152 S185 M186 A187 D200 P202 L233 Y241 D246 | L152-R154 HydrophobicContact CB-CB 4.43Å; L152-R154 HydrophobicContact CD2-CB 3.83Å; L152-R154 HydrophobicContact CD2-CG 4.09Å; L152-R154 HydrophobicContact CG-CB 4.01Å; R154-S185 VanDerWaalsContact CZ-O 3.25Å; R154-S185 PolarHBondContact NE-O 2.88Å; R154-S185 PolarHBondContact NH2-O 3.24Å; R154-M186 PolarHBondContact NH2-O 3.43Å; R154-A187 VanDerWaalsContact CZ-CB 3.5Å; R154-D200 IonicContact NH1-OD2 2.66Å; R154-D200 PolarHBondContact NH1-OD2 3.31Å; R154-P202 HydrophobicContact CG-CB 4.26Å; R154-P202 HydrophobicContact CG-CG 3.74Å; R154-L233 HydrophobicContact CG-CD1 3.65Å; R154-Y241 VanDerWaalsContact CD-OH 3.26Å; R154-Y241 WeakPolarHBondContact CD-OH 2.94Å; R154-Y241 HydrophobicContact CG-CE2 4.18Å; R154-Y241 PolarHBondContact NH1-OH 3.43Å; R154-D246 PolarHBondContact N-OD1 3.38Å | ||
| 155 | G | 88.9 | Confident | 92.3 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 4% | 0.041 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -139 | 40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | H153 H160 | H153-G155 VanDerWaalsContact ND1-C 3.33Å; H153-G155 PolarHBondContact ND1-N 3.35Å; H153-G155 PolarHBondContact O-N 2.86Å; G155-H160 PolarHBondContact O-CE1 2.93Å; G155-H160 PolarHBondContact O-ND1 3.11Å |
| 156 | L | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -70.1 | 134.6 | -174.3 | -170.2 | 74.8 | 0 | 0 | 0 | 111.5 | V139 L143 H153 H160 L161 L180 W228 L250 I253 | V139-L156 HydrophobicContact CG1-CD2 4.24Å; L143-L156 HydrophobicContact CD1-CD2 3.94Å; L143-L156 HydrophobicContact CD2-CD2 4.19Å; L143-L156 HydrophobicContact CG-CD2 4.46Å; H153-L156 HydrophobicContact CB-CB 4.48Å; H153-L156 VanDerWaalsContact ND1-CA 3.34Å; H153-L156 WeakPolarHBondContact ND1-CA 3.18Å; H153-L156 PolarHBondContact ND1-N 2.94Å; L156-H160 HydrophobicContact CD1-CB 4.46Å; L156-L161 HydrophobicContact CD1-CD2 4.15Å; L156-L180 HydrophobicContact CD1-CD1 4.37Å; L156-L180 HydrophobicContact CD1-CD2 3.66Å; L156-W228 WeakPolarHBondContact O-CB 3.4Å; L156-L250 HydrophobicContact CD2-CB 4.49Å; L156-I253 HydrophobicContact CD2-CD1 3.74Å; L156-I253 HydrophobicContact CG-CD1 3.64Å | ||
| 157 | C | 94.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | trans | -155.5 | 175.3 | 173 | 68.3 | 0 | 0 | 0 | 0 | 110.2 | K159 H160 W228 | C157-K159 PolarHBondContact O-N 2.97Å; C157-H160 WeakPolarHBondContact O-CB 3.45Å; C157-H160 PolarHBondContact O-N 3.15Å; C157-H160 PolarHBondContact SG-ND1 3.3Å; C157-H160 VanDerWaalsContact SG-ND1 3.41Å; C157-W228 HydrophobicContact CB-CB 4.29Å; C157-W228 HydrophobicContact CB-CD2 3.55Å; C157-W228 HydrophobicContact CB-CE3 3.97Å; C157-W228 HydrophobicContact CB-CG 3.69Å; C157-W228 HydrophobicContact CB-CZ2 4.38Å | ||
| 158 | S | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -58.4 | -29.1 | -178.7 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | H117 H160 L161 E256 | H117-S158 PolarHBondContact N-O 3.15Å; S158-H160 PolarHBondContact O-N 3.33Å; S158-L161 PolarHBondContact O-N 2.99Å; S158-E256 VanDerWaalsContact CB-CD 3.48Å; S158-E256 WeakPolarHBondContact CB-OE1 3.31Å; S158-E256 WeakPolarHBondContact CB-OE2 3.46Å; S158-E256 PolarHBondContact OG-OE1 3.1Å; S158-E256 PolarHBondContact OG-OE2 2.83Å |
| 159 | K | 92.2 | Very high | 88.3 | Confident | 42 Ų | 42 | 27.6 Ų | 27.6 | 18% | 0.183 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -65.4 | -23.3 | 174.6 | -58.7 | -178.3 | -180 | -170.2 | 0 | 112.6 | C3 S115 H117 C157 L161 | C3-K159 PolarHBondContact SG-O 2.99Å; C3-K159 VanDerWaalsContact SG-O 3.37Å; S115-K159 WeakPolarHBondContact CB-O 3.46Å; H117-K159 HydrophobicContact CB-CB 4.31Å; H117-K159 HydrophobicContact CB-CG 3.64Å; H117-K159 WeakPolarHBondContact NE2-CE 3.46Å; C157-K159 PolarHBondContact O-N 2.97Å; K159-L161 VanDerWaalsContact C-N 3.34Å |
| 160 | H | 94.7 | Very high | 87.2 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -91.3 | 5 | -178.2 | -58.9 | 145 | 0 | 0 | 0 | 113.6 | H153 G155 L156 C157 S158 L180 C181 G182 W211 | H153-H160 AromaticContact CE1-ND1 3.62Å; G155-H160 PolarHBondContact O-CE1 2.93Å; G155-H160 PolarHBondContact O-ND1 3.11Å; L156-H160 HydrophobicContact CD1-CB 4.46Å; C157-H160 WeakPolarHBondContact O-CB 3.45Å; C157-H160 PolarHBondContact O-N 3.15Å; C157-H160 PolarHBondContact SG-ND1 3.3Å; C157-H160 VanDerWaalsContact SG-ND1 3.41Å; S158-H160 PolarHBondContact O-N 3.33Å; H160-L180 CarbonylContact O-C 3.53Å; H160-L180 WeakPolarHBondContact O-CA 3.4Å; H160-C181 VanDerWaalsContact CA-SG 3.54Å; H160-C181 PolarHBondContact O-N 2.81Å; H160-G182 WeakPolarHBondContact CD2-CA 3.37Å; H160-W211 AromaticContact NE2-CZ2 3.95Å |
| 161 | L | 96.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 95.3 | -179.4 | -53.2 | -171.1 | 0 | 0 | 0 | 109.5 | S115 V116 I135 V139 L156 S158 K159 V178 L180 I253 | S115-L161 CarbonylContact C-O 3.58Å; S115-L161 WeakPolarHBondContact CA-O 3.39Å; V116-L161 HydrophobicContact CB-CB 4.01Å; V116-L161 HydrophobicContact CB-CD1 4.37Å; V116-L161 HydrophobicContact CG2-CB 3.53Å; V116-L161 HydrophobicContact CG2-CD1 4Å; V116-L161 HydrophobicContact CG2-CG 4.39Å; V116-L161 PolarHBondContact N-O 3.46Å; I135-L161 HydrophobicContact CG2-CD1 4.25Å; V139-L161 HydrophobicContact CG1-CD2 4.17Å; V139-L161 HydrophobicContact CG2-CD1 3.75Å; V139-L161 HydrophobicContact CG2-CD2 3.66Å; V139-L161 HydrophobicContact CG2-CG 4.28Å; L156-L161 HydrophobicContact CD1-CD2 4.15Å; S158-L161 PolarHBondContact O-N 2.99Å; K159-L161 VanDerWaalsContact C-N 3.34Å; L161-V178 HydrophobicContact CB-CG1 4.09Å; L161-L180 HydrophobicContact CD2-CD2 3.32Å; L161-I253 HydrophobicContact CD1-CD1 4.29Å; L161-I253 HydrophobicContact CD1-CG2 3.5Å |
| 162 | L | 94.9 | Very high | 84.4 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 137.4 | -178.2 | -64.8 | 179.2 | 0 | 0 | 0 | 111.7 | I2 V178 V179 C181 | I2-L162 HydrophobicContact CD1-CD1 4.45Å; I2-L162 HydrophobicContact CG1-CD1 4.03Å; I2-L162 HydrophobicContact CG2-CD1 4.48Å; L162-V178 CarbonylContact O-C 3.48Å; L162-V178 VanDerWaalsContact O-CA 3.32Å; L162-V178 WeakPolarHBondContact O-CA 3.41Å; L162-V179 HydrophobicContact CB-CG2 3.88Å; L162-V179 PolarHBondContact N-O 3.28Å; L162-V179 PolarHBondContact O-N 3.14Å; L162-C181 HydrophobicContact CD1-CB 3.61Å; L162-C181 HydrophobicContact CG-CB 4.03Å |
| 163 | F | 93.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 132 | 170.4 | -69 | -68.1 | 0 | 0 | 0 | 110.8 | S111 Y113 G114 V116 I119 I135 V176 S177 V178 L337 | S111-F163 WeakPolarHBondContact CB-O 3.15Å; S111-F163 PolarHBondContact OG-O 2.91Å; Y113-F163 HydrophobicContact CD2-CB 4.35Å; G114-F163 PolarHBondContact O-N 3.2Å; V116-F163 HydrophobicContact CB-CE2 4.43Å; V116-F163 HydrophobicContact CG2-CE1 4.41Å; V116-F163 HydrophobicContact CG2-CE2 3.82Å; V116-F163 HydrophobicContact CG2-CZ 3.64Å; I119-F163 HydrophobicContact CB-CE2 4.39Å; I119-F163 HydrophobicContact CG1-CD2 4.06Å; I119-F163 HydrophobicContact CG1-CE2 3.57Å; I135-F163 HydrophobicContact CD1-CE1 3.98Å; I135-F163 HydrophobicContact CD1-CZ 3.77Å; I135-F163 HydrophobicContact CG1-CE1 4.07Å; I135-F163 HydrophobicContact CG1-CZ 4.36Å; F163-V176 HydrophobicContact CB-CG1 3.84Å; F163-V176 HydrophobicContact CD1-CG1 3.82Å; F163-V176 HydrophobicContact CG-CG1 4.25Å; F163-S177 WeakPolarHBondContact CA-O 3.39Å; F163-V178 HydrophobicContact CD1-CG2 3.96Å; F163-V178 HydrophobicContact CE1-CG2 3.93Å; F163-L337 HydrophobicContact CB-CD1 4.21Å; F163-L337 HydrophobicContact CD1-CD1 3.73Å; F163-L337 HydrophobicContact CD2-CD1 4.31Å; F163-L337 HydrophobicContact CE1-CD1 4.12Å; F163-L337 HydrophobicContact CE1-CD2 4.19Å; F163-L337 HydrophobicContact CG-CD1 3.83Å; F163-L337 HydrophobicContact CZ-CD2 4.15Å |
| 164 | K | 89.2 | Confident | 82.4 | Confident | 62 Ų | 62 | 51 Ų | 51 | 27% | 0.27 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.9 | 178.6 | -171.4 | -176.8 | -175.6 | -170.7 | 0 | 109.4 | D87 T166 S177 V179 | D87-K164 IonicContact OD1-NZ 2.75Å; D87-K164 WeakPolarHBondContact OD2-CE 2.96Å; D87-K164 IonicContact OD2-NZ 3.67Å; D87-K164 PolarHBondContact OD2-NZ 3.34Å; K164-T166 PolarHBondContact O-N 2.81Å; K164-S177 PolarHBondContact N-O 2.78Å; K164-S177 PolarHBondContact O-N 3.44Å; K164-V179 HydrophobicContact CD-CG1 4.49Å |
| 165 | K | 87.9 | Confident | 82 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 131 | 171.2 | -74.1 | 179 | -174.3 | 170.5 | 0 | 108.8 | D112 Y113 T334 | D112-K165 HydrophobicContact CB-CB 4.44Å; D112-K165 HydrophobicContact CB-CD 3.87Å; D112-K165 HydrophobicContact CB-CG 3.76Å; D112-K165 VanDerWaalsContact CG-CG 3.49Å; D112-K165 WeakPolarHBondContact OD1-CD 3.14Å; D112-K165 VanDerWaalsContact OD2-CB 3.31Å; D112-K165 WeakPolarHBondContact OD2-CB 3.47Å; D112-K165 PolarHBondContact OD2-N 3.16Å; Y113-K165 HydrophobicContact CD2-CG 4.34Å; Y113-K165 HydrophobicContact CE2-CD 4.06Å; Y113-K165 HydrophobicContact CE2-CG 3.72Å; Y113-K165 WeakPolarHBondContact OH-CE 3.44Å; K165-T334 HydrophobicContact CD-CG2 4.3Å; K165-T334 HydrophobicContact CG-CG2 4.18Å |
| 166 | T | 81.3 | Confident | 82 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 20% | 0.202 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.7 | 175.2 | 55.7 | 0 | 0 | 0 | 0 | 109.2 | K164 D168 K175 | K164-T166 PolarHBondContact O-N 2.81Å; T166-D168 PolarHBondContact O-N 3.13Å; T166-K175 PolarHBondContact N-O 2.96Å; T166-K175 PolarHBondContact O-N 2.62Å; T166-K175 PolarHBondContact OG1-O 3.49Å |
| 167 | L | 72.5 | Confident | 81.8 | Confident | 146 Ų | 146 | 55.2 Ų | 55.2 | 76% | 0.764 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126.7 | 170.9 | -90.7 | 126.4 | 0 | 0 | 0 | 108.6 | P169 | L167-P169 WeakPolarHBondContact O-CD 3.28Å |
| 168 | D | 67 | Low | 81.8 | Confident | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | trans | -78.3 | 114.5 | 168.6 | -170.4 | 7.8 | 0 | 0 | 0 | 108.4 | T166 N170 S171 S173 K175 | T166-D168 PolarHBondContact O-N 3.13Å; D168-N170 PolarHBondContact O-N 2.92Å; D168-N170 VanDerWaalsContact O-N 3.15Å; D168-N170 PolarHBondContact OD1-N 3.13Å; D168-S171 PolarHBondContact O-N 3.45Å; D168-S171 WeakPolarHBondContact OD2-CB 3.42Å; D168-S173 VanDerWaalsContact CB-O 3.31Å; D168-S173 WeakPolarHBondContact CB-O 3.43Å; D168-K175 HydrophobicContact CB-CD 3.87Å; D168-K175 HydrophobicContact CB-CG 4.04Å; D168-K175 IonicContact OD1-NZ 3.19Å; D168-K175 PolarHBondContact OD1-NZ 3.49Å; D168-K175 WeakPolarHBondContact OD2-CE 3.49Å; D168-K175 IonicContact OD2-NZ 3.72Å; D168-K175 PolarHBondContact OD2-NZ 3.12Å | ||
| 169 | P | 62.5 | Low | 81.8 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 58% | 0.584 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.5 | 179.2 | 23.4 | -32.3 | 0 | 0 | 0 | 112.1 | L167 | L167-P169 WeakPolarHBondContact O-CD 3.28Š|
| 170 | N | 66 | Low | 81.9 | Confident | 152 Ų | 152 | 53.3 Ų | 53.3 | 81% | 0.813 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -6.5 | -175.7 | -65.5 | -27.2 | 0 | 0 | 0 | 114.1 | D168 | D168-N170 PolarHBondContact O-N 2.92Å; D168-N170 VanDerWaalsContact O-N 3.15Å; D168-N170 PolarHBondContact OD1-N 3.13Å |
| 171 | S | 62.4 | Low | 81.8 | Confident | 53 Ų | 53 | 53.4 Ų | 53.4 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | trans | -144.7 | 147.6 | -176.5 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | D168 S173 | D168-S171 PolarHBondContact O-N 3.45Å; D168-S171 WeakPolarHBondContact OD2-CB 3.42Å; S171-S173 WeakPolarHBondContact CB-OG 3.38Å; S171-S173 PolarHBondContact O-N 2.87Å; S171-S173 PolarHBondContact OG-N 3.47Å; S171-S173 VanDerWaalsContact OG-N 3.17Å; S171-S173 PolarHBondContact OG-OG 2.92Å | ||
| 172 | K | 62 | Low | 81.5 | Confident | 215 Ų | 215 | 54.4 Ų | 54.4 | 94% | 0.935 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -70 | -5.1 | 169.9 | -70.2 | -174.7 | 177.7 | -179.5 | 0 | 113.2 | ||
| 173 | S | 68 | Low | 81.3 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 42% | 0.42 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -81.2 | 136.7 | 176.4 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | D168 S171 | D168-S173 VanDerWaalsContact CB-O 3.31Å; D168-S173 WeakPolarHBondContact CB-O 3.43Å; S171-S173 WeakPolarHBondContact CB-OG 3.38Å; S171-S173 PolarHBondContact O-N 2.87Å; S171-S173 PolarHBondContact OG-N 3.47Å; S171-S173 VanDerWaalsContact OG-N 3.17Å; S171-S173 PolarHBondContact OG-OG 2.92Å |
| 174 | H | 74.9 | Confident | 81 | Confident | 90 Ų | 90 | 55.7 Ų | 55.7 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.5 | 171.1 | -68.9 | 66.7 | 0 | 0 | 0 | 109.6 | T334 | H174-T334 HydrophobicContact CB-CG2 3.68Å; H174-T334 PolarHBondContact O-OG1 2.76Å |
| 175 | K | 84.1 | Confident | 80.9 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 159.9 | 168.8 | -74.6 | 176.5 | 171.3 | 158 | 0 | 109 | T166 D168 V331 | T166-K175 PolarHBondContact N-O 2.96Å; T166-K175 PolarHBondContact O-N 2.62Å; T166-K175 PolarHBondContact OG1-O 3.49Å; D168-K175 HydrophobicContact CB-CD 3.87Å; D168-K175 HydrophobicContact CB-CG 4.04Å; D168-K175 IonicContact OD1-NZ 3.19Å; D168-K175 PolarHBondContact OD1-NZ 3.49Å; D168-K175 WeakPolarHBondContact OD2-CE 3.49Å; D168-K175 IonicContact OD2-NZ 3.72Å; D168-K175 PolarHBondContact OD2-NZ 3.12Å; K175-V331 HydrophobicContact CD-CG1 4.12Å; K175-V331 HydrophobicContact CG-CG1 3.75Å |
| 176 | V | 89.2 | Confident | 81.1 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.5 | 170.9 | -171.5 | 0 | 0 | 0 | 0 | 109 | Y113 F163 I332 T334 L337 | Y113-V176 HydrophobicContact CD2-CG1 4.38Å; Y113-V176 HydrophobicContact CD2-CG2 4.37Å; Y113-V176 HydrophobicContact CE2-CG2 3.89Å; F163-V176 HydrophobicContact CB-CG1 3.84Å; F163-V176 HydrophobicContact CD1-CG1 3.82Å; F163-V176 HydrophobicContact CG-CG1 4.25Å; V176-I332 HydrophobicContact CB-CB 4.26Å; V176-I332 HydrophobicContact CB-CG2 4.01Å; V176-I332 PolarHBondContact N-O 3.18Å; V176-T334 HydrophobicContact CG2-CG2 3.77Å; V176-L337 HydrophobicContact CB-CD1 4.04Å; V176-L337 HydrophobicContact CG1-CD1 3.61Å; V176-L337 HydrophobicContact CG2-CD1 3.93Å |
| 177 | S | 90.2 | Very high | 81.5 | Confident | 34 Ų | 34 | 48 Ų | 48 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 168.7 | 171.3 | -163.2 | 0 | 0 | 0 | 0 | 110.5 | F163 K164 | F163-S177 WeakPolarHBondContact CA-O 3.39Å; K164-S177 PolarHBondContact N-O 2.78Å; K164-S177 PolarHBondContact O-N 3.44Å |
| 178 | V | 94 | Very high | 82.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.7 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | I135 R138 V139 L161 L162 F163 I332 | I135-V178 HydrophobicContact CG1-CG2 4.22Å; I135-V178 HydrophobicContact CG2-CG1 4.46Å; I135-V178 HydrophobicContact CG2-CG2 4.23Å; R138-V178 HydrophobicContact CB-CB 3.82Å; R138-V178 HydrophobicContact CB-CG2 4.36Å; R138-V178 HydrophobicContact CG-CB 4.41Å; V139-V178 HydrophobicContact CG2-CG1 4.17Å; L161-V178 HydrophobicContact CB-CG1 4.09Å; L162-V178 CarbonylContact O-C 3.48Å; L162-V178 VanDerWaalsContact O-CA 3.32Å; L162-V178 WeakPolarHBondContact O-CA 3.41Å; F163-V178 HydrophobicContact CD1-CG2 3.96Å; F163-V178 HydrophobicContact CE1-CG2 3.93Å; V178-I332 HydrophobicContact CG2-CD1 4.1Å |
| 179 | V | 94.1 | Very high | 83.1 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 151.8 | 178.3 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | T89 Y90 L162 K164 | T89-V179 WeakPolarHBondContact O-CG1 3.46Å; Y90-V179 CarbonylContact O-C 3.58Å; Y90-V179 WeakPolarHBondContact O-CA 3.24Å; L162-V179 HydrophobicContact CB-CG2 3.88Å; L162-V179 PolarHBondContact N-O 3.28Å; L162-V179 PolarHBondContact O-N 3.14Å; K164-V179 HydrophobicContact CD-CG1 4.49Å |
| 180 | L | 95 | Very high | 83.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.8 | 177.7 | -59.8 | -177.9 | 0 | 0 | 0 | 111.7 | Y90 L91 S92 V139 C142 L143 L156 H160 L161 | Y90-L180 PolarHBondContact O-N 3.43Å; L91-L180 CarbonylContact C-O 3.42Å; L91-L180 WeakPolarHBondContact CA-O 3.3Å; L91-L180 HydrophobicContact CD2-CB 3.83Å; L91-L180 HydrophobicContact CD2-CD1 4.33Å; L91-L180 HydrophobicContact CD2-CG 4.47Å; S92-L180 PolarHBondContact N-O 3.08Å; V139-L180 HydrophobicContact CG1-CD2 4.23Å; C142-L180 HydrophobicContact CB-CD1 3.49Å; C142-L180 VanDerWaalsContact CB-CD1 3.49Å; C142-L180 HydrophobicContact CB-CD2 4.35Å; C142-L180 HydrophobicContact CB-CG 3.49Å; C142-L180 VanDerWaalsContact CB-CG 3.49Å; L143-L180 HydrophobicContact CD2-CD1 3.9Å; L143-L180 HydrophobicContact CG-CD1 4.27Å; L156-L180 HydrophobicContact CD1-CD1 4.37Å; L156-L180 HydrophobicContact CD1-CD2 3.66Å; H160-L180 CarbonylContact O-C 3.53Å; H160-L180 WeakPolarHBondContact O-CA 3.4Å; L161-L180 HydrophobicContact CD2-CD2 3.32Å |
| 181 | C | 93.2 | Very high | 83.6 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | trans | -113.1 | -159.9 | 165.5 | 73.4 | 0 | 0 | 0 | 0 | 110 | H153 H160 L162 L183 | H153-C181 PolarHBondContact NE2-O 2.75Å; H160-C181 VanDerWaalsContact CA-SG 3.54Å; H160-C181 PolarHBondContact O-N 2.81Å; L162-C181 HydrophobicContact CD1-CB 3.61Å; L162-C181 HydrophobicContact CG-CB 4.03Å; C181-L183 VanDerWaalsContact C-N 3.34Å; C181-L183 PolarHBondContact O-N 3.2Å | ||
| 182 | G | 89.4 | Confident | 83.6 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | trans | 73.2 | 21.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | H160 G184 | H160-G182 WeakPolarHBondContact CD2-CA 3.37Å; G182-G184 PolarHBondContact O-N 2.97Å | ||
| 183 | L | 90.9 | Very high | 83.6 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -69.3 | 1.7 | -169.7 | -57.6 | -176.9 | 0 | 0 | 0 | 115.3 | F63 L91 L93 C181 S185 M186 | F63-L183 HydrophobicContact CE2-CB 4Å; F63-L183 WeakPolarHBondContact CE2-O 3.37Å; L91-L183 HydrophobicContact CD2-CD2 4.46Å; L93-L183 HydrophobicContact CD2-CD1 3.55Å; C181-L183 VanDerWaalsContact C-N 3.34Å; C181-L183 PolarHBondContact O-N 3.2Å; L183-S185 PolarHBondContact O-N 3.41Å; L183-S185 VanDerWaalsContact O-N 3.14Å; L183-M186 HydrophobicContact CB-CE 3.75Å; L183-M186 HydrophobicContact CB-CG 4.07Å; L183-M186 HydrophobicContact CB-SD 3.78Å; L183-M186 HydrophobicContact CD1-CE 4.32Å; L183-M186 HydrophobicContact CD1-SD 4.18Å; L183-M186 HydrophobicContact CD2-CG 4.29Å; L183-M186 HydrophobicContact CD2-SD 3.81Å; L183-M186 HydrophobicContact CG-CE 4.5Å; L183-M186 HydrophobicContact CG-SD 4.12Å; L183-M186 WeakPolarHBondContact O-CB 3.37Å; L183-M186 VanDerWaalsContact O-CG 3.25Å; L183-M186 WeakPolarHBondContact O-CG 3.32Å; L183-M186 PolarHBondContact O-N 2.7Å; L183-M186 VanDerWaalsContact O-N 3.07Å |
| 184 | G | 88.2 | Confident | 83.6 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -69.3 | -10.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G182 | G182-G184 PolarHBondContact O-N 2.97Š|
| 185 | S | 87.1 | Confident | 83.2 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -95.6 | -2.3 | 172.7 | -94 | 0 | 0 | 0 | 0 | 113.5 | R154 L183 R209 | R154-S185 VanDerWaalsContact CZ-O 3.25Å; R154-S185 PolarHBondContact NE-O 2.88Å; R154-S185 PolarHBondContact NH2-O 3.24Å; L183-S185 PolarHBondContact O-N 3.41Å; L183-S185 VanDerWaalsContact O-N 3.14Å; S185-R209 PolarHBondContact OG-NH1 2.89Å; S185-R209 PolarHBondContact OG-NH2 3.37Å |
| 186 | M | 91.1 | Very high | 82.6 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | trans | -54.3 | 149.1 | -170.8 | -74.7 | -175.6 | -48.1 | 0 | 0 | 112.8 | F63 M66 L70 L146 L151 L152 R154 L183 | F63-M186 HydrophobicContact CD2-CE 4.48Å; M66-M186 HydrophobicContact CB-CE 3.98Å; M66-M186 HydrophobicContact CE-CB 4Å; M66-M186 HydrophobicContact CE-CE 4.42Å; M66-M186 HydrophobicContact SD-CB 4.12Å; L70-M186 HydrophobicContact CD1-CE 3.98Å; L70-M186 HydrophobicContact CD1-SD 4.02Å; L146-M186 HydrophobicContact CD1-SD 4.01Å; L151-M186 HydrophobicContact CD1-CE 4.44Å; L151-M186 HydrophobicContact CD1-SD 4.16Å; L152-M186 WeakPolarHBondContact O-CA 3.46Å; R154-M186 PolarHBondContact NH2-O 3.43Å; L183-M186 HydrophobicContact CB-CE 3.75Å; L183-M186 HydrophobicContact CB-CG 4.07Å; L183-M186 HydrophobicContact CB-SD 3.78Å; L183-M186 HydrophobicContact CD1-CE 4.32Å; L183-M186 HydrophobicContact CD1-SD 4.18Å; L183-M186 HydrophobicContact CD2-CG 4.29Å; L183-M186 HydrophobicContact CD2-SD 3.81Å; L183-M186 HydrophobicContact CG-CE 4.5Å; L183-M186 HydrophobicContact CG-SD 4.12Å; L183-M186 WeakPolarHBondContact O-CB 3.37Å; L183-M186 VanDerWaalsContact O-CG 3.25Å; L183-M186 WeakPolarHBondContact O-CG 3.32Å; L183-M186 PolarHBondContact O-N 2.7Å; L183-M186 VanDerWaalsContact O-N 3.07Å | ||
| 187 | A | 90.3 | Very high | 82.2 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 139 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L152 R154 | L152-A187 PolarHBondContact N-O 2.92Å; L152-A187 PolarHBondContact O-N 2.81Å; L152-A187 VanDerWaalsContact O-N 3.1Å; R154-A187 VanDerWaalsContact CZ-CB 3.5Å |
| 188 | Q | 88.8 | Confident | 81.9 | Confident | 130 Ų | 130 | 48.8 Ų | 48.8 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.6 | 168.9 | -167.8 | 172.5 | 3.1 | 0 | 0 | 109.7 | G150 L151 R198 | G150-Q188 WeakPolarHBondContact O-CA 3.4Å; L151-Q188 HydrophobicContact CD2-CB 4.07Å; L151-Q188 HydrophobicContact CD2-CG 4.4Å; Q188-R198 PolarHBondContact O-NH1 3.36Å |
| 189 | L | 84.2 | Confident | 81.4 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 152.7 | 165.4 | -80.5 | 165.4 | 0 | 0 | 0 | 109 | G150 L152 R198 W243 | G150-L189 PolarHBondContact O-N 3.46Å; L152-L189 HydrophobicContact CB-CD1 4.18Å; L152-L189 HydrophobicContact CD1-CD1 4.3Å; L189-R198 HydrophobicContact CD2-CG 3.69Å; L189-W243 HydrophobicContact CB-CH2 3.54Å; L189-W243 HydrophobicContact CB-CZ2 3.47Å; L189-W243 VanDerWaalsContact CB-CZ2 3.47Å; L189-W243 HydrophobicContact CB-CZ3 4.27Å; L189-W243 HydrophobicContact CD1-CD2 3.55Å; L189-W243 HydrophobicContact CD1-CE3 3.59Å; L189-W243 HydrophobicContact CD1-CG 4.22Å; L189-W243 HydrophobicContact CD1-CH2 3.73Å; L189-W243 HydrophobicContact CD1-CZ2 3.69Å; L189-W243 HydrophobicContact CD1-CZ3 3.67Å; L189-W243 HydrophobicContact CG-CH2 4.19Å; L189-W243 HydrophobicContact CG-CZ2 4.21Å; L189-W243 HydrophobicContact CG-CZ3 4.48Å |
| 190 | P | 71.8 | Confident | 80.8 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 159.9 | 170.9 | -25.5 | 37.7 | 0 | 0 | 0 | 111.4 | V196 | P190-V196 HydrophobicContact CG-CB 4.09Å; P190-V196 HydrophobicContact CG-CG1 4.2Å |
| 191 | P | 65.8 | Low | 79.9 | Confident | 74 Ų | 74 | 57.6 Ų | 57.6 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 155.4 | -177.9 | -25.6 | 33.4 | 0 | 0 | 0 | 113.1 | W193 S194 | P191-W193 HydrophobicContact CB-CZ2 4.49Å; P191-W193 HydrophobicContact CG-CZ2 4.34Å; P191-W193 PolarHBondContact O-N 3.16Å; P191-S194 WeakPolarHBondContact O-CB 3.41Å; P191-S194 PolarHBondContact O-N 3.18Å |
| 192 | S | 63.5 | Low | 78.8 | Confident | 115 Ų | 115 | 57.3 Ų | 57.3 | 80% | 0.804 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -20.3 | -170.4 | 63.3 | 0 | 0 | 0 | 0 | 116.7 | S194 | S192-S194 VanDerWaalsContact C-N 3.29Š|
| 193 | W | 62.7 | Low | 77.9 | Confident | 210 Ų | 210 | 59.9 Ų | 59.9 | 80% | 0.795 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -12.3 | 175 | 56.2 | -100.4 | 0 | 0 | 0 | 113.2 | P191 | P191-W193 HydrophobicContact CB-CZ2 4.49Å; P191-W193 HydrophobicContact CG-CZ2 4.34Å; P191-W193 PolarHBondContact O-N 3.16Å |
| 194 | S | 66.9 | Low | 76.7 | Confident | 26 Ų | 26 | 61.7 Ų | 61.7 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | trans | -86.3 | 133.9 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | P191 S192 V196 | P191-S194 WeakPolarHBondContact O-CB 3.41Å; P191-S194 PolarHBondContact O-N 3.18Å; S192-S194 VanDerWaalsContact C-N 3.29Å; S194-V196 VanDerWaalsContact C-N 3.29Å; S194-V196 WeakPolarHBondContact OG-CB 3.48Å; S194-V196 VanDerWaalsContact OG-CG2 3.26Å; S194-V196 WeakPolarHBondContact OG-CG2 3.47Å; S194-V196 PolarHBondContact OG-N 3.2Å | ||
| 195 | T | 65.7 | Low | 75.5 | Confident | 145 Ų | 145 | 67.9 Ų | 67.9 | 89% | 0.89 | 35% | 0.354 | S | S | * | . | trans | -91.7 | 7.3 | 171.6 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | A197 | T195-A197 PolarHBondContact O-N 2.95Š| ||
| 196 | V | 71.7 | Confident | 74.7 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | trans | -70.5 | 118.1 | -176 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | P190 S194 | P190-V196 HydrophobicContact CG-CB 4.09Å; P190-V196 HydrophobicContact CG-CG1 4.2Å; S194-V196 VanDerWaalsContact C-N 3.29Å; S194-V196 WeakPolarHBondContact OG-CB 3.48Å; S194-V196 VanDerWaalsContact OG-CG2 3.26Å; S194-V196 WeakPolarHBondContact OG-CG2 3.47Å; S194-V196 PolarHBondContact OG-N 3.2Å | ||
| 197 | A | 82.5 | Confident | 73.9 | Confident | 30 Ų | 30 | 70 Ų | 70 | 25% | 0.248 | 37% | 0.371 | C | S | . | . | trans | -84 | 169.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T195 T239 Y241 | T195-A197 PolarHBondContact O-N 2.95Å; A197-T239 WeakPolarHBondContact CB-O 2.84Å; A197-Y241 WeakPolarHBondContact CA-O 3.37Å | ||
| 198 | R | 84 | Confident | 73.5 | Confident | 80 Ų | 80 | 70 Ų | 70 | 30% | 0.302 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -107.9 | 147.1 | 174.8 | -72.7 | -172 | 74.2 | 102.7 | 7.4 | 111.4 | Q188 L189 D200 G240 Y241 | Q188-R198 PolarHBondContact O-NH1 3.36Å; L189-R198 HydrophobicContact CD2-CG 3.69Å; R198-D200 WeakPolarHBondContact CB-OD1 3.45Å; R198-D200 IonicContact CZ-OD1 3.38Å; R198-D200 IonicContact CZ-OD2 3.72Å; R198-D200 IonicContact NE-OD1 2.8Å; R198-D200 PolarHBondContact NE-OD1 3.37Å; R198-D200 IonicContact NE-OD2 3.63Å; R198-D200 VanDerWaalsContact NH2-CG 3.3Å; R198-D200 IonicContact NH2-OD1 3.11Å; R198-D200 PolarHBondContact NH2-OD1 2.79Å; R198-D200 VanDerWaalsContact NH2-OD1 3.11Å; R198-D200 IonicContact NH2-OD2 2.93Å; R198-D200 PolarHBondContact NH2-OD2 3.44Å; R198-G240 CarbonylContact O-C 3.57Å; R198-G240 WeakPolarHBondContact O-CA 3.4Å; R198-Y241 HydrophobicContact CB-CD1 4.32Å; R198-Y241 HydrophobicContact CB-CD2 4.3Å; R198-Y241 HydrophobicContact CB-CE1 3.77Å; R198-Y241 HydrophobicContact CB-CE2 3.78Å; R198-Y241 VanDerWaalsContact CB-CZ 3.5Å; R198-Y241 PolarHBondContact N-O 2.85Å; R198-Y241 WeakPolarHBondContact O-CD1 3.41Å; R198-Y241 VanDerWaalsContact O-CE1 3.25Å; R198-Y241 WeakPolarHBondContact O-CE1 3.5Å; R198-Y241 PolarHBondContact O-N 3.15Å |
| 199 | N | 81.9 | Confident | 73 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | trans | -126.2 | 31 | -178.3 | -55.9 | 2.6 | 0 | 0 | 0 | 111.6 | Q236 D237 G240 | N199-Q236 PolarHBondContact O-OE1 2.79Å; N199-D237 VanDerWaalsContact CG-O 3.23Å; N199-D237 PolarHBondContact ND2-O 3.15Å; N199-D237 VanDerWaalsContact ND2-O 3.13Å; N199-G240 WeakPolarHBondContact OD1-CA 3.3Å; N199-G240 PolarHBondContact OD1-N 3.45Å | ||
| 200 | D | 83.2 | Confident | 72.3 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 21% | 0.214 | 35% | 0.35 | C | S | . | . | trans | -113.3 | 132.7 | 175.8 | 60.3 | -55.9 | 0 | 0 | 0 | 112.2 | R154 R198 Y241 | R154-D200 IonicContact NH1-OD2 2.66Å; R154-D200 PolarHBondContact NH1-OD2 3.31Å; R198-D200 WeakPolarHBondContact CB-OD1 3.45Å; R198-D200 IonicContact CZ-OD1 3.38Å; R198-D200 IonicContact CZ-OD2 3.72Å; R198-D200 IonicContact NE-OD1 2.8Å; R198-D200 PolarHBondContact NE-OD1 3.37Å; R198-D200 IonicContact NE-OD2 3.63Å; R198-D200 VanDerWaalsContact NH2-CG 3.3Å; R198-D200 IonicContact NH2-OD1 3.11Å; R198-D200 PolarHBondContact NH2-OD1 2.79Å; R198-D200 VanDerWaalsContact NH2-OD1 3.11Å; R198-D200 IonicContact NH2-OD2 2.93Å; R198-D200 PolarHBondContact NH2-OD2 3.44Å; D200-Y241 WeakPolarHBondContact O-CE1 3.23Å; D200-Y241 PolarHBondContact O-OH 2.77Å; D200-Y241 PolarHBondContact OD1-OH 3.06Å | ||
| 201 | L | 74.4 | Confident | 71.9 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 42% | 0.419 | 35% | 0.35 | S | S | . | . | trans | -65.6 | 148.3 | 176.7 | -78.4 | 171.6 | 0 | 0 | 0 | 110.5 | F203 L233 Q236 | L201-F203 PolarHBondContact O-N 3.14Å; L201-L233 VanDerWaalsContact CD2-O 3.29Å; L201-L233 WeakPolarHBondContact CD2-O 3.35Å; L201-Q236 HydrophobicContact CD1-CG 4.21Å; L201-Q236 HydrophobicContact CD2-CG 3.5Å; L201-Q236 VanDerWaalsContact CD2-CG 3.5Å; L201-Q236 VanDerWaalsContact CG-CD 3.42Å; L201-Q236 HydrophobicContact CG-CG 3.5Å | ||
| 202 | P | 71.6 | Confident | 71.5 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.019 | 35% | 0.35 | C | S | . | . | trans | -56.9 | 136.2 | 165.6 | -15.8 | 30.2 | 0 | 0 | 0 | 108.5 | R154 L204 Y229 L233 | R154-P202 HydrophobicContact CG-CB 4.26Å; R154-P202 HydrophobicContact CG-CG 3.74Å; P202-L204 VanDerWaalsContact C-N 3.3Å; P202-L204 PolarHBondContact O-N 3.02Å; P202-Y229 HydrophobicContact CB-CE2 4.2Å; P202-Y229 HydrophobicContact CG-CD2 4.37Å; P202-Y229 HydrophobicContact CG-CE2 3.64Å; P202-L233 HydrophobicContact CG-CD1 3.98Å; P202-L233 HydrophobicContact CG-CD2 3.8Å; P202-L233 HydrophobicContact CG-CG 4.26Å | ||
| 203 | F | 70 | Confident | 70.7 | Confident | 75 Ų | 75 | 66.3 Ų | 66.3 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | trans | -66.3 | 93.2 | 175.7 | -53.6 | -55.3 | 0 | 0 | 0 | 109.6 | F55 T59 L201 Y205 V206 R209 | F55-F203 HydrophobicContact CE1-CD1 4.1Å; F55-F203 HydrophobicContact CE1-CE1 4.37Å; F55-F203 HydrophobicContact CE1-CG 4.48Å; F55-F203 HydrophobicContact CE2-CE1 4.19Å; F55-F203 HydrophobicContact CE2-CZ 4.34Å; F55-F203 AromaticContact CZ-CD1 3.6Å; F55-F203 HydrophobicContact CZ-CD1 3.6Å; F55-F203 AromaticContact CZ-CE1 3.42Å; F55-F203 HydrophobicContact CZ-CE1 3.42Å; F55-F203 VanDerWaalsContact CZ-CE1 3.42Å; F55-F203 HydrophobicContact CZ-CE2 4.44Å; F55-F203 HydrophobicContact CZ-CG 4.22Å; F55-F203 AromaticContact CZ-CZ 3.86Å; F55-F203 HydrophobicContact CZ-CZ 3.86Å; T59-F203 HydrophobicContact CG2-CD2 3.79Å; T59-F203 HydrophobicContact CG2-CE2 3.63Å; T59-F203 HydrophobicContact CG2-CZ 4.27Å; L201-F203 PolarHBondContact O-N 3.14Å; F203-Y205 VanDerWaalsContact C-N 3.3Å; F203-V206 HydrophobicContact CB-CG1 3.76Å; F203-V206 HydrophobicContact CB-CG2 3.94Å; F203-V206 HydrophobicContact CG-CG1 4.3Å; F203-R209 PolarHBondContact O-NH1 2.91Å | ||
| 204 | L | 64.5 | Low | 70 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -67.5 | -36.3 | 176.6 | -69.7 | 176.5 | 0 | 0 | 0 | 110.4 | P202 V226 Y229 | P202-L204 VanDerWaalsContact C-N 3.3Å; P202-L204 PolarHBondContact O-N 3.02Å; L204-V226 HydrophobicContact CD1-CG2 4.18Å; L204-Y229 HydrophobicContact CD2-CE2 3.84Å; L204-Y229 WeakPolarHBondContact CD2-OH 3.31Å |
| 205 | Y | 64.7 | Low | 69 | Low | 149 Ų | 149 | 64.8 Ų | 64.8 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | trans | -116.8 | 91.4 | -179.3 | -56.7 | -76.2 | 0 | 0 | 0 | 110.7 | F203 L213 | F203-Y205 VanDerWaalsContact C-N 3.3Å; Y205-L213 HydrophobicContact CE1-CB 4.16Å; Y205-L213 VanDerWaalsContact OH-CD2 3.3Å; Y205-L213 WeakPolarHBondContact OH-CD2 3.49Å | ||
| 206 | V | 69.3 | Low | 68 | Low | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | trans | -133.8 | 127.5 | 165.4 | -84.6 | 0 | 0 | 0 | 0 | 107.6 | F55 F203 W208 R209 | F55-V206 HydrophobicContact CD1-CG1 4.17Å; F55-V206 HydrophobicContact CE1-CG1 3.74Å; F203-V206 HydrophobicContact CB-CG1 3.76Å; F203-V206 HydrophobicContact CB-CG2 3.94Å; F203-V206 HydrophobicContact CG-CG1 4.3Å; V206-W208 PolarHBondContact O-N 2.58Å; V206-W208 VanDerWaalsContact O-N 3.14Å; V206-R209 HydrophobicContact CG2-CB 4.05Å; V206-R209 HydrophobicContact CG2-CG 3.45Å; V206-R209 VanDerWaalsContact CG2-CG 3.45Å; V206-R209 PolarHBondContact O-N 2.9Å | ||
| 207 | A | 75.2 | Confident | 66.9 | Low | 42 Ų | 42 | 61.2 Ų | 61.2 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -54.2 | -43.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112 | A31 V32 S56 R209 G210 | A31-A207 HydrophobicContact CB-CB 3.73Å; V32-A207 WeakPolarHBondContact CG2-O 3.49Å; S56-A207 PolarHBondContact OG-N 3.08Å; A207-R209 PolarHBondContact O-N 2.86Å; A207-R209 VanDerWaalsContact O-N 3.15Å; A207-G210 PolarHBondContact O-N 3.11Å |
| 208 | W | 81.3 | Confident | 65.3 | Low | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -64.9 | -16.9 | -179 | 76.7 | -97 | 0 | 0 | 0 | 114.6 | V32 K45 I47 T59 L60 F63 V206 | V32-W208 VanDerWaalsContact CG2-C 3.46Å; V32-W208 WeakPolarHBondContact CG2-O 3.41Å; K45-W208 WeakPolarHBondContact CE-O 3.48Å; K45-W208 PolarHBondContact NZ-O 3.24Å; I47-W208 HydrophobicContact CD1-CB 4.18Å; I47-W208 HydrophobicContact CD1-CE3 4.1Å; I47-W208 HydrophobicContact CG1-CB 4.4Å; I47-W208 HydrophobicContact CG2-CB 3.64Å; T59-W208 PolarHBondContact OG1-NE1 2.72Å; T59-W208 VanDerWaalsContact OG1-NE1 3.08Å; L60-W208 HydrophobicContact CB-CD2 4.25Å; L60-W208 HydrophobicContact CB-CG 4.03Å; L60-W208 HydrophobicContact CD1-CB 4.48Å; L60-W208 HydrophobicContact CD1-CD2 3.79Å; L60-W208 HydrophobicContact CD1-CE3 3.73Å; L60-W208 HydrophobicContact CD1-CG 4.12Å; L60-W208 HydrophobicContact CD1-CZ3 4.21Å; L60-W208 HydrophobicContact CD2-CB 4.3Å; L60-W208 HydrophobicContact CG-CG 4.46Å; F63-W208 HydrophobicContact CB-CH2 3.86Å; F63-W208 HydrophobicContact CB-CZ2 3.96Å; F63-W208 AromaticContact CD1-CH2 3.46Å; F63-W208 HydrophobicContact CD1-CH2 3.46Å; F63-W208 VanDerWaalsContact CD1-CH2 3.46Å; F63-W208 HydrophobicContact CD1-CZ2 4.29Å; F63-W208 AromaticContact CD1-CZ3 3.67Å; F63-W208 HydrophobicContact CD1-CZ3 3.67Å; F63-W208 AromaticContact CD2-CH2 3.78Å; F63-W208 HydrophobicContact CD2-CH2 3.78Å; F63-W208 AromaticContact CE1-CH2 3.78Å; F63-W208 HydrophobicContact CE1-CH2 3.78Å; F63-W208 AromaticContact CE1-CZ3 3.63Å; F63-W208 HydrophobicContact CE1-CZ3 3.63Å; F63-W208 HydrophobicContact CE2-CH2 4.08Å; F63-W208 AromaticContact CG-CH2 3.42Å; F63-W208 HydrophobicContact CG-CH2 3.42Å; F63-W208 VanDerWaalsContact CG-CH2 3.42Å; F63-W208 HydrophobicContact CG-CZ2 4.04Å; F63-W208 HydrophobicContact CG-CZ3 4.12Å; F63-W208 HydrophobicContact CZ-CH2 4.04Å; F63-W208 HydrophobicContact CZ-CZ3 4.05Å; V206-W208 PolarHBondContact O-N 2.58Å; V206-W208 VanDerWaalsContact O-N 3.14Å |
| 209 | R | 78.2 | Confident | 64 | Low | 10 Ų | 10 | 62.8 Ų | 62.8 | 4% | 0.038 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -77.8 | -23.1 | 178.3 | -71.1 | -175.3 | 74.3 | -171.9 | 10.3 | 112.8 | K45 S185 F203 V206 A207 W211 | K45-R209 VanDerWaalsContact NZ-C 3.27Å; K45-R209 VanDerWaalsContact NZ-CA 3.32Å; K45-R209 PolarHBondContact NZ-O 3.37Å; S185-R209 PolarHBondContact OG-NH1 2.89Å; S185-R209 PolarHBondContact OG-NH2 3.37Å; F203-R209 PolarHBondContact O-NH1 2.91Å; V206-R209 HydrophobicContact CG2-CB 4.05Å; V206-R209 HydrophobicContact CG2-CG 3.45Å; V206-R209 VanDerWaalsContact CG2-CG 3.45Å; V206-R209 PolarHBondContact O-N 2.9Å; A207-R209 PolarHBondContact O-N 2.86Å; A207-R209 VanDerWaalsContact O-N 3.15Å; R209-W211 VanDerWaalsContact C-N 3.26Å; R209-W211 VanDerWaalsContact CB-CD1 3.47Å; R209-W211 PolarHBondContact O-N 2.86Å |
| 210 | G | 69.9 | Low | 63 | Low | 17 Ų | 17 | 67.6 Ų | 67.6 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | trans | 78.2 | 4.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A207 R212 | A207-G210 PolarHBondContact O-N 3.11Å; G210-R212 PolarHBondContact O-N 2.96Å | ||
| 211 | W | 63.2 | Low | 62.3 | Low | 78 Ų | 78 | 67.1 Ų | 67.1 | 30% | 0.295 | 36% | 0.36 | S | S | . | . | trans | -66 | 110.8 | 175 | -66.1 | 89.9 | 0 | 0 | 0 | 109.7 | H160 R209 P225 | H160-W211 AromaticContact NE2-CZ2 3.95Å; R209-W211 VanDerWaalsContact C-N 3.26Å; R209-W211 VanDerWaalsContact CB-CD1 3.47Å; R209-W211 PolarHBondContact O-N 2.86Å; W211-P225 HydrophobicContact CE3-CG 4.07Å; W211-P225 HydrophobicContact CH2-CG 4.18Å; W211-P225 HydrophobicContact CZ3-CG 3.57Å | ||
| 212 | R | 56.9 | Low | 62.1 | Low | 130 Ų | 130 | 66 Ų | 66 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | trans | -94.2 | 117.2 | 164.6 | -70.2 | 177.7 | 171.7 | 179.9 | -11.9 | 107.6 | S30 G210 H214 | S30-R212 VanDerWaalsContact CB-NH2 3.33Å; G210-R212 PolarHBondContact O-N 2.96Å; R212-H214 PolarHBondContact O-N 3.18Å | ||
| 213 | L | 47.1 | Very low | 62.5 | Low | 58 Ų | 58 | 66.1 Ų | 66.1 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | trans | -62.6 | 118.6 | 173.1 | -172.8 | 75.8 | 0 | 0 | 0 | 108.4 | Y205 E215 H224 | Y205-L213 HydrophobicContact CE1-CB 4.16Å; Y205-L213 VanDerWaalsContact OH-CD2 3.3Å; Y205-L213 WeakPolarHBondContact OH-CD2 3.49Å; L213-E215 HydrophobicContact CD2-CG 3.51Å; L213-E215 WeakPolarHBondContact CD2-OE1 3.37Å; L213-E215 HydrophobicContact CG-CG 3.94Å; L213-H224 VanDerWaalsContact CD1-CD2 3.47Å; L213-H224 WeakPolarHBondContact CD1-CD2 3.46Å; L213-H224 WeakPolarHBondContact CD1-NE2 3.44Å | ||
| 214 | H | 48.3 | Very low | 63.1 | Low | 49 Ų | 49 | 63.3 Ų | 63.3 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | trans | -93.6 | 115.4 | 159.4 | -108.5 | -134.6 | 0 | 0 | 0 | 107.8 | I8 R212 S217 | I8-H214 HydrophobicContact CG2-CB 4.18Å; I8-H214 WeakPolarHBondContact CG2-CD2 2.85Å; I8-H214 VanDerWaalsContact CG2-CG 3.41Å; I8-H214 WeakPolarHBondContact CG2-NE2 3.48Å; R212-H214 PolarHBondContact O-N 3.18Å; H214-S217 VanDerWaalsContact ND1-CB 3.3Å; H214-S217 WeakPolarHBondContact ND1-CB 3.35Å; H214-S217 PolarHBondContact ND1-OG 3.44Å | ||
| 215 | E | 45.4 | Very low | 64.1 | Low | 155 Ų | 155 | 62 Ų | 62 | 72% | 0.724 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -87.2 | -17.5 | 172.1 | -81 | -173 | 161.5 | 0 | 0 | 113 | L213 | L213-E215 HydrophobicContact CD2-CG 3.51Å; L213-E215 WeakPolarHBondContact CD2-OE1 3.37Å; L213-E215 HydrophobicContact CG-CG 3.94Å |
| 216 | S | 45.4 | Very low | 65.2 | Low | 111 Ų | 111 | 55.3 Ų | 55.3 | 78% | 0.776 | 31% | 0.308 | S | S | * | . | trans | -163.1 | 26.9 | -165.6 | -50.5 | 0 | 0 | 0 | 0 | 117.8 | G218 | S216-G218 PolarHBondContact O-N 2.98Š| ||
| 217 | S | 48.7 | Very low | 66.3 | Low | 44 Ų | 44 | 54.9 Ų | 54.9 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | trans | -68.1 | 129.1 | 162.9 | 50.2 | 0 | 0 | 0 | 0 | 107.4 | H214 D219 | H214-S217 VanDerWaalsContact ND1-CB 3.3Å; H214-S217 WeakPolarHBondContact ND1-CB 3.35Å; H214-S217 PolarHBondContact ND1-OG 3.44Å; S217-D219 PolarHBondContact O-N 3.41Å | ||
| 218 | G | 49 | Very low | 67.3 | Low | 81 Ų | 81 | 53.1 Ų | 53.1 | 84% | 0.835 | 29% | 0.29 | S | S | * | . | trans | -64.5 | 30.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S216 E220 | S216-G218 PolarHBondContact O-N 2.98Å; G218-E220 PolarHBondContact O-N 3.39Å; G218-E220 VanDerWaalsContact O-N 3.09Å | ||
| 219 | D | 56.5 | Low | 67.9 | Low | 62 Ų | 62 | 53.2 Ų | 53.2 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | trans | -73.1 | 94.3 | 167.9 | -169.1 | -12.6 | 0 | 0 | 0 | 108.2 | R121 S217 S221 Y222 | R121-D219 IonicContact CZ-OD1 2.86Å; R121-D219 IonicContact CZ-OD2 2.63Å; R121-D219 VanDerWaalsContact CZ-OD2 3.3Å; R121-D219 IonicContact NH1-OD1 2.82Å; R121-D219 PolarHBondContact NH1-OD1 2.86Å; R121-D219 IonicContact NH1-OD2 3.28Å; R121-D219 PolarHBondContact NH1-OD2 3.47Å; R121-D219 IonicContact NH2-OD1 3.94Å; R121-D219 IonicContact NH2-OD2 3.3Å; R121-D219 PolarHBondContact NH2-OD2 3.42Å; S217-D219 PolarHBondContact O-N 3.41Å; D219-S221 PolarHBondContact O-N 2.84Å; D219-S221 WeakPolarHBondContact OD1-CA 3.48Å; D219-S221 WeakPolarHBondContact OD1-CB 3.31Å; D219-S221 PolarHBondContact OD1-N 3.19Å; D219-Y222 PolarHBondContact O-N 2.8Å | ||
| 220 | E | 59.3 | Low | 68.8 | Low | 174 Ų | 174 | 52.8 Ų | 52.8 | 81% | 0.813 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -6.5 | 172.6 | -67.9 | -173.2 | 164 | 0 | 0 | 113.1 | G218 T265 | G218-E220 PolarHBondContact O-N 3.39Å; G218-E220 VanDerWaalsContact O-N 3.09Å; E220-T265 WeakPolarHBondContact O-CG2 3.39Å |
| 221 | S | 68.4 | Low | 70 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 7.7 | 175.2 | 163.5 | 0 | 0 | 0 | 0 | 113 | R121 D219 P262 | R121-S221 PolarHBondContact NH1-OG 3.39Å; D219-S221 PolarHBondContact O-N 2.84Å; D219-S221 WeakPolarHBondContact OD1-CA 3.48Å; D219-S221 WeakPolarHBondContact OD1-CB 3.31Å; D219-S221 PolarHBondContact OD1-N 3.19Å; S221-P262 WeakPolarHBondContact O-CG 3.5Å |
| 222 | Y | 71.5 | Confident | 71.4 | Confident | 55 Ų | 55 | 49 Ų | 49 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | trans | -83.8 | 140.4 | 173.3 | 179.5 | -103.2 | 0 | 0 | 0 | 112.3 | D219 H224 G266 | D219-Y222 PolarHBondContact O-N 2.8Å; Y222-H224 HydrophobicContact CE1-CB 4.42Å; Y222-G266 PolarHBondContact O-N 3.48Å | ||
| 223 | S | 79.8 | Confident | 73.1 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | trans | -134 | 136.2 | 166.8 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | A227 P263 | S223-A227 WeakPolarHBondContact OG-CB 3.25Å; S223-P263 VanDerWaalsContact CB-O 3.3Å; S223-P263 WeakPolarHBondContact CB-O 3.43Å; S223-P263 PolarHBondContact OG-O 3.36Å | ||
| 224 | H | 83.5 | Confident | 75.2 | Confident | 16 Ų | 16 | 41 Ų | 41 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | trans | -66.6 | 144.8 | -179.9 | -171.5 | -92.5 | 0 | 0 | 0 | 110.7 | L213 Y222 V226 A227 P269 I272 | L213-H224 VanDerWaalsContact CD1-CD2 3.47Å; L213-H224 WeakPolarHBondContact CD1-CD2 3.46Å; L213-H224 WeakPolarHBondContact CD1-NE2 3.44Å; Y222-H224 HydrophobicContact CE1-CB 4.42Å; H224-V226 WeakPolarHBondContact ND1-CB 3.38Å; H224-V226 VanDerWaalsContact ND1-CG2 3.3Å; H224-V226 WeakPolarHBondContact ND1-CG2 3.13Å; H224-V226 PolarHBondContact ND1-N 3.19Å; H224-V226 PolarHBondContact O-N 3.17Å; H224-A227 WeakPolarHBondContact O-CB 3.32Å; H224-A227 PolarHBondContact O-N 3.08Å; H224-P269 HydrophobicContact CB-CG 4Å; H224-I272 HydrophobicContact CB-CD1 4.35Å | ||
| 225 | P | 83.7 | Confident | 77.2 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 13% | 0.13 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -51 | -28.9 | -178.9 | -31.2 | 36.5 | 0 | 0 | 0 | 115.7 | W211 A227 W228 Y229 | W211-P225 HydrophobicContact CE3-CG 4.07Å; W211-P225 HydrophobicContact CH2-CG 4.18Å; W211-P225 HydrophobicContact CZ3-CG 3.57Å; P225-A227 PolarHBondContact O-N 2.8Å; P225-A227 VanDerWaalsContact O-N 3.11Å; P225-W228 PolarHBondContact O-N 3.44Å; P225-W228 VanDerWaalsContact O-N 3.16Å; P225-Y229 WeakPolarHBondContact O-CD1 3.32Å |
| 226 | V | 88.5 | Confident | 78.8 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -56 | -22.8 | 173.1 | 165.9 | 0 | 0 | 0 | 0 | 113.1 | L204 H224 W228 Y229 L234 I272 | L204-V226 HydrophobicContact CD1-CG2 4.18Å; H224-V226 WeakPolarHBondContact ND1-CB 3.38Å; H224-V226 VanDerWaalsContact ND1-CG2 3.3Å; H224-V226 WeakPolarHBondContact ND1-CG2 3.13Å; H224-V226 PolarHBondContact ND1-N 3.19Å; H224-V226 PolarHBondContact O-N 3.17Å; V226-W228 VanDerWaalsContact C-N 3.28Å; V226-W228 PolarHBondContact O-N 2.62Å; V226-Y229 HydrophobicContact CG2-CD2 4.23Å; V226-Y229 HydrophobicContact CG2-CE2 4.4Å; V226-Y229 WeakPolarHBondContact O-CB 3.48Å; V226-Y229 PolarHBondContact O-N 2.86Å; V226-Y229 VanDerWaalsContact O-N 3.14Å; V226-L234 HydrophobicContact CG1-CD1 3.94Å; V226-L234 HydrophobicContact CG1-CD2 3.8Å; V226-L234 HydrophobicContact CG2-CD2 4.45Å; V226-I272 HydrophobicContact CG1-CB 4.4Å; V226-I272 HydrophobicContact CG1-CG2 3.98Å |
| 227 | A | 93.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -59.1 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S223 H224 P225 L252 P263 Y264 I272 K276 | S223-A227 WeakPolarHBondContact OG-CB 3.25Å; H224-A227 WeakPolarHBondContact O-CB 3.32Å; H224-A227 PolarHBondContact O-N 3.08Å; P225-A227 PolarHBondContact O-N 2.8Å; P225-A227 VanDerWaalsContact O-N 3.11Å; A227-L252 WeakPolarHBondContact O-CD1 3.29Å; A227-P263 HydrophobicContact CB-CB 4.44Å; A227-P263 HydrophobicContact CB-CG 3.92Å; A227-P263 WeakPolarHBondContact CB-O 3.04Å; A227-Y264 HydrophobicContact CB-CD2 4.09Å; A227-I272 HydrophobicContact CB-CD1 4.11Å; A227-K276 VanDerWaalsContact O-CE 3.23Å; A227-K276 WeakPolarHBondContact O-CE 3.3Å; A227-K276 PolarHBondContact O-NZ 3.45Å |
| 228 | W | 95.6 | Very high | 82.3 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.3 | 177.6 | -65.6 | -95.9 | 0 | 0 | 0 | 113.1 | L156 C157 P225 V226 S249 E256 P262 P263 | L156-W228 WeakPolarHBondContact O-CB 3.4Å; C157-W228 HydrophobicContact CB-CB 4.29Å; C157-W228 HydrophobicContact CB-CD2 3.55Å; C157-W228 HydrophobicContact CB-CE3 3.97Å; C157-W228 HydrophobicContact CB-CG 3.69Å; C157-W228 HydrophobicContact CB-CZ2 4.38Å; P225-W228 PolarHBondContact O-N 3.44Å; P225-W228 VanDerWaalsContact O-N 3.16Å; V226-W228 VanDerWaalsContact C-N 3.28Å; V226-W228 PolarHBondContact O-N 2.62Å; W228-S249 WeakPolarHBondContact O-CA 3.34Å; W228-S249 PolarHBondContact O-OG 2.76Å; W228-S249 VanDerWaalsContact O-OG 3.13Å; W228-E256 WeakPolarHBondContact CZ2-OE2 3.16Å; W228-E256 PolarHBondContact NE1-OE2 2.82Å; W228-P262 HydrophobicContact CH2-CB 4.17Å; W228-P262 HydrophobicContact CZ2-CB 4.23Å; W228-P263 HydrophobicContact CD2-CG 4.02Å; W228-P263 HydrophobicContact CG-CG 4.31Å; W228-P263 HydrophobicContact CZ2-CG 4.07Å |
| 229 | Y | 94.4 | Very high | 83.9 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -66.1 | 142.8 | -178 | -72.4 | 9.2 | 0 | 0 | 0 | 111.5 | P202 L204 P225 V226 L233 L234 Y248 K276 | P202-Y229 HydrophobicContact CB-CE2 4.2Å; P202-Y229 HydrophobicContact CG-CD2 4.37Å; P202-Y229 HydrophobicContact CG-CE2 3.64Å; L204-Y229 HydrophobicContact CD2-CE2 3.84Å; L204-Y229 WeakPolarHBondContact CD2-OH 3.31Å; P225-Y229 WeakPolarHBondContact O-CD1 3.32Å; V226-Y229 HydrophobicContact CG2-CD2 4.23Å; V226-Y229 HydrophobicContact CG2-CE2 4.4Å; V226-Y229 WeakPolarHBondContact O-CB 3.48Å; V226-Y229 PolarHBondContact O-N 2.86Å; V226-Y229 VanDerWaalsContact O-N 3.14Å; Y229-L233 HydrophobicContact CD1-CD2 4.34Å; Y229-L233 HydrophobicContact CD2-CD2 3.22Å; Y229-L233 HydrophobicContact CE2-CD2 3.89Å; Y229-L233 HydrophobicContact CG-CD2 3.48Å; Y229-L233 VanDerWaalsContact CG-CD2 3.48Å; Y229-L234 HydrophobicContact CD2-CD2 3.76Å; Y229-L234 HydrophobicContact CG-CD2 4.33Å; Y229-Y248 WeakPolarHBondContact O-CE1 3.12Å; Y229-K276 WeakPolarHBondContact O-CE 3.47Å; Y229-K276 PolarHBondContact O-NZ 3.32Å |
| 230 | S | 95.7 | Very high | 85.4 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | trans | -74.2 | 154.9 | 178 | 69 | 0 | 0 | 0 | 0 | 112.2 | E232 L233 L234 S245 Y248 | S230-E232 WeakPolarHBondContact CB-OE1 3.33Å; S230-E232 WeakPolarHBondContact CB-OE2 3.41Å; S230-E232 PolarHBondContact O-N 3.21Å; S230-E232 PolarHBondContact OG-OE1 3.18Å; S230-E232 PolarHBondContact OG-OE2 3.06Å; S230-L233 PolarHBondContact O-N 3.13Å; S230-L233 VanDerWaalsContact OG-CB 3.29Å; S230-L233 WeakPolarHBondContact OG-CB 3.08Å; S230-L233 PolarHBondContact OG-N 2.76Å; S230-L234 WeakPolarHBondContact O-CG 3.32Å; S230-L234 PolarHBondContact O-N 3.01Å; S230-L234 VanDerWaalsContact O-N 3.08Å; S230-S245 VanDerWaalsContact OG-CB 3.25Å; S230-S245 WeakPolarHBondContact OG-CB 3.34Å; S230-S245 PolarHBondContact OG-OG 3.1Å; S230-Y248 VanDerWaalsContact CA-CD1 3.45Å | ||
| 231 | P | 95.6 | Very high | 86.9 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.1 | -46.5 | 179.3 | -25.4 | 35 | 0 | 0 | 0 | 112.9 | L233 L234 A235 Y248 M277 Y307 | P231-L233 VanDerWaalsContact C-N 3.28Å; P231-L233 PolarHBondContact O-N 3.46Å; P231-L234 CarbonylContact O-C 3.29Å; P231-L234 PolarHBondContact O-N 3.2Å; P231-A235 WeakPolarHBondContact O-CB 3.34Å; P231-A235 PolarHBondContact O-N 2.64Å; P231-Y248 HydrophobicContact CG-CE2 4.15Å; P231-M277 HydrophobicContact CB-CE 3.72Å; P231-M277 VanDerWaalsContact O-CE 3.25Å; P231-M277 WeakPolarHBondContact O-CE 3.04Å; P231-Y307 HydrophobicContact CB-CD2 4.14Å; P231-Y307 HydrophobicContact CB-CE2 3.64Å; P231-Y307 HydrophobicContact CG-CD2 3.87Å; P231-Y307 HydrophobicContact CG-CE2 3.84Å |
| 232 | E | 94 | Very high | 88.1 | Confident | 11 Ų | 11 | 30.9 Ų | 30.9 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.4 | -30.4 | -178.5 | 70.8 | -73.3 | 170 | 0 | 0 | 112.9 | S230 Q236 S245 P309 R312 | S230-E232 WeakPolarHBondContact CB-OE1 3.33Å; S230-E232 WeakPolarHBondContact CB-OE2 3.41Å; S230-E232 PolarHBondContact O-N 3.21Å; S230-E232 PolarHBondContact OG-OE1 3.18Å; S230-E232 PolarHBondContact OG-OE2 3.06Å; E232-Q236 PolarHBondContact O-N 3.46Å; E232-S245 PolarHBondContact OE1-OG 3.38Å; E232-P309 HydrophobicContact CB-CG 4.43Å; E232-P309 HydrophobicContact CG-CB 4.27Å; E232-P309 HydrophobicContact CG-CG 4.11Å; E232-R312 VanDerWaalsContact CD-NH1 3.3Å; E232-R312 IonicContact OE1-CZ 2.9Å; E232-R312 IonicContact OE1-NH1 2.87Å; E232-R312 PolarHBondContact OE1-NH1 2.68Å; E232-R312 IonicContact OE1-NH2 3.7Å; E232-R312 IonicContact OE2-CZ 3.87Å; E232-R312 IonicContact OE2-NH1 2.82Å; E232-R312 PolarHBondContact OE2-NH1 3.48Å; E232-R312 IonicContact OE2-NH2 3.01Å; E232-R312 PolarHBondContact OE2-NH2 2.87Å |
| 233 | L | 91.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.4 | -35.6 | 172.5 | 179.7 | 131.6 | 0 | 0 | 0 | 111.4 | R154 L201 P202 Y229 S230 P231 Q236 Y241 | R154-L233 HydrophobicContact CG-CD1 3.65Å; L201-L233 VanDerWaalsContact CD2-O 3.29Å; L201-L233 WeakPolarHBondContact CD2-O 3.35Å; P202-L233 HydrophobicContact CG-CD1 3.98Å; P202-L233 HydrophobicContact CG-CD2 3.8Å; P202-L233 HydrophobicContact CG-CG 4.26Å; Y229-L233 HydrophobicContact CD1-CD2 4.34Å; Y229-L233 HydrophobicContact CD2-CD2 3.22Å; Y229-L233 HydrophobicContact CE2-CD2 3.89Å; Y229-L233 HydrophobicContact CG-CD2 3.48Å; Y229-L233 VanDerWaalsContact CG-CD2 3.48Å; S230-L233 PolarHBondContact O-N 3.13Å; S230-L233 VanDerWaalsContact OG-CB 3.29Å; S230-L233 WeakPolarHBondContact OG-CB 3.08Å; S230-L233 PolarHBondContact OG-N 2.76Å; P231-L233 VanDerWaalsContact C-N 3.28Å; P231-L233 PolarHBondContact O-N 3.46Å; L233-Q236 PolarHBondContact O-NE2 3.35Å; L233-Y241 HydrophobicContact CB-CD1 4.23Å; L233-Y241 HydrophobicContact CB-CG 4.07Å; L233-Y241 HydrophobicContact CD1-CD1 4.08Å; L233-Y241 HydrophobicContact CD1-CD2 3.73Å; L233-Y241 HydrophobicContact CD1-CE1 4.27Å; L233-Y241 HydrophobicContact CD1-CE2 3.92Å; L233-Y241 HydrophobicContact CD1-CG 3.81Å; L233-Y241 HydrophobicContact CG-CD1 4.16Å; L233-Y241 HydrophobicContact CG-CG 4.21Å |
| 234 | L | 91.6 | Very high | 90 | Very high | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -78.2 | -35.6 | 176.9 | -67.9 | 175.6 | 0 | 0 | 0 | 113.3 | V226 Y229 S230 P231 Q236 F273 K276 M277 | V226-L234 HydrophobicContact CG1-CD1 3.94Å; V226-L234 HydrophobicContact CG1-CD2 3.8Å; V226-L234 HydrophobicContact CG2-CD2 4.45Å; Y229-L234 HydrophobicContact CD2-CD2 3.76Å; Y229-L234 HydrophobicContact CG-CD2 4.33Å; S230-L234 WeakPolarHBondContact O-CG 3.32Å; S230-L234 PolarHBondContact O-N 3.01Å; S230-L234 VanDerWaalsContact O-N 3.08Å; P231-L234 CarbonylContact O-C 3.29Å; P231-L234 PolarHBondContact O-N 3.2Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 3.48Å; L234-F273 HydrophobicContact CB-CD2 4.07Å; L234-F273 HydrophobicContact CB-CE2 4.3Å; L234-K276 HydrophobicContact CD1-CD 3.4Å; L234-K276 VanDerWaalsContact CD1-CD 3.4Å; L234-M277 HydrophobicContact CB-CE 4.36Å |
| 235 | A | 88.8 | Confident | 90.5 | Very high | 36 Ų | 36 | 31.3 Ų | 31.3 | 30% | 0.298 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.1 | -34.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P231 D237 M277 | P231-A235 WeakPolarHBondContact O-CB 3.34Å; P231-A235 PolarHBondContact O-N 2.64Å; A235-D237 PolarHBondContact O-N 2.68Å; A235-D237 VanDerWaalsContact O-N 3.15Å; A235-M277 HydrophobicContact CB-CE 4.12Å; A235-M277 HydrophobicContact CB-SD 3.78Å |
| 236 | Q | 80.7 | Confident | 91.2 | Very high | 54 Ų | 54 | 30.4 Ų | 30.4 | 25% | 0.252 | 16% | 0.16 | S | C | . | . | trans | 52.7 | 35.1 | 178.6 | -63.2 | -76.6 | -65.1 | 0 | 0 | 113.2 | N199 L201 E232 L233 L234 | N199-Q236 PolarHBondContact O-OE1 2.79Å; L201-Q236 HydrophobicContact CD1-CG 4.21Å; L201-Q236 HydrophobicContact CD2-CG 3.5Å; L201-Q236 VanDerWaalsContact CD2-CG 3.5Å; L201-Q236 VanDerWaalsContact CG-CD 3.42Å; L201-Q236 HydrophobicContact CG-CG 3.5Å; E232-Q236 PolarHBondContact O-N 3.46Å; L233-Q236 PolarHBondContact O-NE2 3.35Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 3.48Å | ||
| 237 | D | 83.6 | Confident | 91.7 | Very high | 71 Ų | 71 | 30 Ų | 30 | 38% | 0.38 | 16% | 0.158 | S | C | . | . | trans | -83.2 | -177.1 | 176.3 | 70.5 | 18.7 | 0 | 0 | 0 | 111.4 | N199 A235 T239 G240 | N199-D237 VanDerWaalsContact CG-O 3.23Å; N199-D237 PolarHBondContact ND2-O 3.15Å; N199-D237 VanDerWaalsContact ND2-O 3.13Å; A235-D237 PolarHBondContact O-N 2.68Å; A235-D237 VanDerWaalsContact O-N 3.15Å; D237-T239 PolarHBondContact O-N 2.82Å; D237-T239 WeakPolarHBondContact OD1-CA 3.45Å; D237-T239 VanDerWaalsContact OD1-CB 3.26Å; D237-T239 WeakPolarHBondContact OD1-CB 3.04Å; D237-T239 PolarHBondContact OD1-N 2.57Å; D237-T239 PolarHBondContact OD1-OG1 2.77Å; D237-G240 PolarHBondContact O-N 2.9Å; D237-G240 PolarHBondContact OD1-N 3.37Å | ||
| 238 | F | 82.5 | Confident | 92 | Very high | 204 Ų | 204 | 30.2 Ų | 30.2 | 90% | 0.895 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13.1 | -179.8 | -67.6 | -72 | 0 | 0 | 0 | 114.3 | ||
| 239 | T | 84 | Confident | 92.1 | Very high | 92 Ų | 92 | 30.1 Ų | 30.1 | 56% | 0.564 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -34.3 | 178.6 | 73.5 | 0 | 0 | 0 | 0 | 112 | A197 D237 | A197-T239 WeakPolarHBondContact CB-O 2.84Å; D237-T239 PolarHBondContact O-N 2.82Å; D237-T239 WeakPolarHBondContact OD1-CA 3.45Å; D237-T239 VanDerWaalsContact OD1-CB 3.26Å; D237-T239 WeakPolarHBondContact OD1-CB 3.04Å; D237-T239 PolarHBondContact OD1-N 2.57Å; D237-T239 PolarHBondContact OD1-OG1 2.77Å |
| 240 | G | 87.3 | Confident | 92.3 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | trans | 69.8 | -175.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R198 N199 D237 | R198-G240 CarbonylContact O-C 3.57Å; R198-G240 WeakPolarHBondContact O-CA 3.4Å; N199-G240 WeakPolarHBondContact OD1-CA 3.3Å; N199-G240 PolarHBondContact OD1-N 3.45Å; D237-G240 PolarHBondContact O-N 2.9Å; D237-G240 PolarHBondContact OD1-N 3.37Å | ||
| 241 | Y | 91.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -120.7 | 159.7 | 179.7 | 67.8 | -94.6 | 0 | 0 | 0 | 111.9 | L152 R154 A197 R198 D200 L233 S245 | L152-Y241 HydrophobicContact CD2-CD2 3.62Å; L152-Y241 HydrophobicContact CD2-CE2 3.65Å; R154-Y241 VanDerWaalsContact CD-OH 3.26Å; R154-Y241 WeakPolarHBondContact CD-OH 2.94Å; R154-Y241 HydrophobicContact CG-CE2 4.18Å; R154-Y241 PolarHBondContact NH1-OH 3.43Å; A197-Y241 WeakPolarHBondContact CA-O 3.37Å; R198-Y241 HydrophobicContact CB-CD1 4.32Å; R198-Y241 HydrophobicContact CB-CD2 4.3Å; R198-Y241 HydrophobicContact CB-CE1 3.77Å; R198-Y241 HydrophobicContact CB-CE2 3.78Å; R198-Y241 VanDerWaalsContact CB-CZ 3.5Å; R198-Y241 PolarHBondContact N-O 2.85Å; R198-Y241 WeakPolarHBondContact O-CD1 3.41Å; R198-Y241 VanDerWaalsContact O-CE1 3.25Å; R198-Y241 WeakPolarHBondContact O-CE1 3.5Å; R198-Y241 PolarHBondContact O-N 3.15Å; D200-Y241 WeakPolarHBondContact O-CE1 3.23Å; D200-Y241 PolarHBondContact O-OH 2.77Å; D200-Y241 PolarHBondContact OD1-OH 3.06Å; L233-Y241 HydrophobicContact CB-CD1 4.23Å; L233-Y241 HydrophobicContact CB-CG 4.07Å; L233-Y241 HydrophobicContact CD1-CD1 4.08Å; L233-Y241 HydrophobicContact CD1-CD2 3.73Å; L233-Y241 HydrophobicContact CD1-CE1 4.27Å; L233-Y241 HydrophobicContact CD1-CE2 3.92Å; L233-Y241 HydrophobicContact CD1-CG 3.81Å; L233-Y241 HydrophobicContact CG-CD1 4.16Å; L233-Y241 HydrophobicContact CG-CG 4.21Å; Y241-S245 WeakPolarHBondContact CB-OG 3.48Å |
| 242 | S | 92.7 | Very high | 92.6 | Very high | 28 Ų | 28 | 29.7 Ų | 29.7 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | trans | -154.6 | -158 | -175.5 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | L152 S244 S245 | L152-S242 VanDerWaalsContact CD1-O 3.28Å; L152-S242 WeakPolarHBondContact CD1-O 3.49Å; S242-S244 PolarHBondContact O-N 2.71Å; S242-S244 VanDerWaalsContact O-N 3.1Å; S242-S245 WeakPolarHBondContact O-CB 3.32Å; S242-S245 PolarHBondContact O-N 2.66Å; S242-S245 PolarHBondContact O-OG 2.85Å | ||
| 243 | W | 94.7 | Very high | 92.8 | Very high | 61 Ų | 61 | 29.1 Ų | 29.1 | 23% | 0.231 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -38.3 | 178.6 | -48.5 | 116.9 | 0 | 0 | 0 | 113.8 | H147 G150 L151 L152 L189 S245 D246 | H147-W243 HydrophobicContact CB-CD2 4.3Å; H147-W243 HydrophobicContact CB-CE3 3.69Å; H147-W243 HydrophobicContact CB-CZ3 3.93Å; H147-W243 AromaticContact CD2-CE3 3.48Å; H147-W243 VanDerWaalsContact CD2-CE3 3.48Å; H147-W243 AromaticContact CD2-CZ3 3.88Å; H147-W243 PolarHBondContact CE1-O 3.45Å; H147-W243 AromaticContact CG-CE3 3.42Å; H147-W243 VanDerWaalsContact CG-CE3 3.42Å; H147-W243 AromaticContact CG-CZ3 3.99Å; H147-W243 AromaticContact ND1-CE3 3.92Å; H147-W243 AromaticContact NE2-CE3 3.99Å; G150-W243 VanDerWaalsContact C-CH2 3.47Å; L151-W243 WeakPolarHBondContact O-CZ3 3.1Å; L152-W243 HydrophobicContact CD1-CE3 4.1Å; L189-W243 HydrophobicContact CB-CH2 3.54Å; L189-W243 HydrophobicContact CB-CZ2 3.47Å; L189-W243 VanDerWaalsContact CB-CZ2 3.47Å; L189-W243 HydrophobicContact CB-CZ3 4.27Å; L189-W243 HydrophobicContact CD1-CD2 3.55Å; L189-W243 HydrophobicContact CD1-CE3 3.59Å; L189-W243 HydrophobicContact CD1-CG 4.22Å; L189-W243 HydrophobicContact CD1-CH2 3.73Å; L189-W243 HydrophobicContact CD1-CZ2 3.69Å; L189-W243 HydrophobicContact CD1-CZ3 3.67Å; L189-W243 HydrophobicContact CG-CH2 4.19Å; L189-W243 HydrophobicContact CG-CZ2 4.21Å; L189-W243 HydrophobicContact CG-CZ3 4.48Å; W243-S245 PolarHBondContact O-N 2.56Å; W243-S245 VanDerWaalsContact O-N 3.13Å; W243-D246 PolarHBondContact O-N 2.99Å |
| 244 | S | 95.7 | Very high | 93.1 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 16% | 0.161 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -14.4 | -178.9 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | S242 I247 Y248 P309 R312 | S242-S244 PolarHBondContact O-N 2.71Å; S242-S244 VanDerWaalsContact O-N 3.1Å; S244-I247 PolarHBondContact O-N 2.83Å; S244-Y248 PolarHBondContact O-N 3.04Å; S244-Y248 VanDerWaalsContact O-N 3.12Å; S244-P309 WeakPolarHBondContact CB-O 3.48Å; S244-P309 VanDerWaalsContact OG-CB 3.32Å; S244-P309 WeakPolarHBondContact OG-CB 3.45Å; S244-R312 WeakPolarHBondContact O-CD 3.38Å; S244-R312 PolarHBondContact O-NH1 3.38Å |
| 245 | S | 95.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -76.3 | -34.7 | 176.4 | -51.7 | 0 | 0 | 0 | 0 | 112.4 | S230 E232 Y241 S242 W243 I247 Y248 S249 | S230-S245 VanDerWaalsContact OG-CB 3.25Å; S230-S245 WeakPolarHBondContact OG-CB 3.34Å; S230-S245 PolarHBondContact OG-OG 3.1Å; E232-S245 PolarHBondContact OE1-OG 3.38Å; Y241-S245 WeakPolarHBondContact CB-OG 3.48Å; S242-S245 WeakPolarHBondContact O-CB 3.32Å; S242-S245 PolarHBondContact O-N 2.66Å; S242-S245 PolarHBondContact O-OG 2.85Å; W243-S245 PolarHBondContact O-N 2.56Å; W243-S245 VanDerWaalsContact O-N 3.13Å; S245-I247 VanDerWaalsContact C-N 3.29Å; S245-Y248 PolarHBondContact O-N 3.14Å; S245-S249 PolarHBondContact O-N 3.1Å; S245-S249 VanDerWaalsContact O-N 3.13Å; S245-S249 PolarHBondContact O-OG 3.18Å |
| 246 | D | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.9 | -34.9 | 170.5 | -75.7 | -13.4 | 0 | 0 | 0 | 110.8 | L143 H147 L152 H153 R154 W243 S249 L250 | L143-D246 HydrophobicContact CD1-CB 4.33Å; L143-D246 HydrophobicContact CD2-CB 4.01Å; H147-D246 IonicContact CD2-OD2 2.85Å; H147-D246 IonicContact CE1-OD2 3.41Å; H147-D246 IonicContact NE2-OD2 3.68Å; H147-D246 PolarHBondContact NE2-OD2 3.13Å; L152-D246 HydrophobicContact CD1-CB 4.25Å; L152-D246 VanDerWaalsContact CD1-CG 3.49Å; L152-D246 VanDerWaalsContact CD1-OD2 3.24Å; L152-D246 WeakPolarHBondContact CD1-OD2 3.3Å; H153-D246 WeakPolarHBondContact CB-OD2 3.31Å; H153-D246 PolarHBondContact N-OD2 3.33Å; R154-D246 PolarHBondContact N-OD1 3.38Å; W243-D246 PolarHBondContact O-N 2.99Å; D246-S249 WeakPolarHBondContact O-CB 3.35Å; D246-S249 PolarHBondContact O-N 2.73Å; D246-L250 PolarHBondContact O-N 3.06Å |
| 247 | I | 98.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 177 | -54.9 | -57.4 | 0 | 0 | 0 | 111.5 | S244 S245 S249 L250 G251 C304 R312 P313 T315 L318 | S244-I247 PolarHBondContact O-N 2.83Å; S245-I247 VanDerWaalsContact C-N 3.29Å; I247-S249 VanDerWaalsContact C-N 3.33Å; I247-S249 PolarHBondContact O-N 3.28Å; I247-L250 WeakPolarHBondContact O-CB 3.25Å; I247-L250 PolarHBondContact O-N 2.84Å; I247-G251 PolarHBondContact O-N 3.35Å; I247-C304 HydrophobicContact CG2-CB 4.06Å; I247-R312 HydrophobicContact CG2-CB 4.24Å; I247-P313 WeakPolarHBondContact CG1-O 3.33Å; I247-P313 HydrophobicContact CG2-CG 4.3Å; I247-T315 HydrophobicContact CD1-CG2 3.86Å; I247-L318 HydrophobicContact CD1-CD1 3.97Å; I247-L318 HydrophobicContact CG2-CD1 4.28Å |
| 248 | Y | 98.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 172.8 | -178.1 | -81.7 | 0 | 0 | 0 | 111.9 | Y229 S230 P231 S244 S245 L250 G251 L252 K276 F282 C304 | Y229-Y248 WeakPolarHBondContact O-CE1 3.12Å; S230-Y248 VanDerWaalsContact CA-CD1 3.45Å; P231-Y248 HydrophobicContact CG-CE2 4.15Å; S244-Y248 PolarHBondContact O-N 3.04Å; S244-Y248 VanDerWaalsContact O-N 3.12Å; S245-Y248 PolarHBondContact O-N 3.14Å; Y248-L250 VanDerWaalsContact C-N 3.32Å; Y248-L250 PolarHBondContact O-N 3.45Å; Y248-G251 PolarHBondContact O-N 2.95Å; Y248-G251 VanDerWaalsContact O-N 3.15Å; Y248-L252 HydrophobicContact CD1-CD1 4.16Å; Y248-L252 HydrophobicContact CD1-CG 4.47Å; Y248-L252 HydrophobicContact CE1-CD1 3.43Å; Y248-L252 VanDerWaalsContact CE1-CD1 3.43Å; Y248-L252 HydrophobicContact CE1-CG 4.02Å; Y248-L252 PolarHBondContact O-N 3.03Å; Y248-L252 VanDerWaalsContact O-N 3.15Å; Y248-K276 PolarHBondContact OH-NZ 3.37Å; Y248-K276 VanDerWaalsContact OH-NZ 3.15Å; Y248-F282 HydrophobicContact CE2-CE2 4.39Å; Y248-F282 WeakPolarHBondContact OH-CE2 3.3Å; Y248-C304 VanDerWaalsContact CA-O 3.29Å; Y248-C304 WeakPolarHBondContact CA-O 3.33Å |
| 249 | S | 98.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | W228 S245 D246 I247 G251 L252 I253 | W228-S249 WeakPolarHBondContact O-CA 3.34Å; W228-S249 PolarHBondContact O-OG 2.76Å; W228-S249 VanDerWaalsContact O-OG 3.13Å; S245-S249 PolarHBondContact O-N 3.1Å; S245-S249 VanDerWaalsContact O-N 3.13Å; S245-S249 PolarHBondContact O-OG 3.18Å; D246-S249 WeakPolarHBondContact O-CB 3.35Å; D246-S249 PolarHBondContact O-N 2.73Å; I247-S249 VanDerWaalsContact C-N 3.33Å; I247-S249 PolarHBondContact O-N 3.28Å; S249-G251 VanDerWaalsContact C-N 3.33Å; S249-G251 PolarHBondContact O-N 2.88Å; S249-L252 PolarHBondContact O-N 3.23Å; S249-I253 WeakPolarHBondContact O-CG1 3.33Å; S249-I253 PolarHBondContact O-N 3.34Å |
| 250 | L | 98.8 | Very high | 96 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.3 | -42 | 174.1 | 177 | 62.6 | 0 | 0 | 0 | 112.3 | V136 V139 V140 L143 L156 D246 I247 Y248 L252 I253 L254 L318 | V136-L250 HydrophobicContact CG1-CD1 4.16Å; V136-L250 HydrophobicContact CG1-CD2 4.3Å; V136-L250 HydrophobicContact CG1-CG 4.45Å; V136-L250 HydrophobicContact CG2-CD1 4.35Å; V139-L250 HydrophobicContact CB-CD1 3.99Å; V139-L250 HydrophobicContact CG1-CD1 3.59Å; V140-L250 HydrophobicContact CG2-CD2 3.57Å; L143-L250 HydrophobicContact CD1-CB 4.45Å; L143-L250 HydrophobicContact CD1-CD2 4.35Å; L156-L250 HydrophobicContact CD2-CB 4.49Å; D246-L250 PolarHBondContact O-N 3.06Å; I247-L250 WeakPolarHBondContact O-CB 3.25Å; I247-L250 PolarHBondContact O-N 2.84Å; Y248-L250 VanDerWaalsContact C-N 3.32Å; Y248-L250 PolarHBondContact O-N 3.45Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 2.95Å; L250-I253 WeakPolarHBondContact O-CB 3.36Å; L250-I253 PolarHBondContact O-N 3.47Å; L250-L254 PolarHBondContact O-N 2.99Å; L250-L318 HydrophobicContact CD2-CD1 4.1Å |
| 251 | G | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I247 Y248 S249 L254 Y255 Y301 | I247-G251 PolarHBondContact O-N 3.35Å; Y248-G251 PolarHBondContact O-N 2.95Å; Y248-G251 VanDerWaalsContact O-N 3.15Å; S249-G251 VanDerWaalsContact C-N 3.33Å; S249-G251 PolarHBondContact O-N 2.88Å; G251-L254 WeakPolarHBondContact O-CB 3.28Å; G251-L254 PolarHBondContact O-N 2.97Å; G251-Y255 PolarHBondContact O-N 2.77Å; G251-Y301 VanDerWaalsContact O-CD2 3.25Å; G251-Y301 WeakPolarHBondContact O-CD2 3.47Å; G251-Y301 WeakPolarHBondContact O-CE2 3.29Å |
| 252 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -71 | -28.6 | 176.2 | -68.3 | -174.6 | 0 | 0 | 0 | 113.8 | A227 Y248 S249 L250 Y255 E256 P263 F282 P283 T305 | A227-L252 WeakPolarHBondContact O-CD1 3.29Å; Y248-L252 HydrophobicContact CD1-CD1 4.16Å; Y248-L252 HydrophobicContact CD1-CG 4.47Å; Y248-L252 HydrophobicContact CE1-CD1 3.43Å; Y248-L252 VanDerWaalsContact CE1-CD1 3.43Å; Y248-L252 HydrophobicContact CE1-CG 4.02Å; Y248-L252 PolarHBondContact O-N 3.03Å; Y248-L252 VanDerWaalsContact O-N 3.15Å; S249-L252 PolarHBondContact O-N 3.23Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 2.95Å; L252-Y255 WeakPolarHBondContact O-CB 3.42Å; L252-Y255 PolarHBondContact O-N 2.91Å; L252-E256 PolarHBondContact O-N 3.46Å; L252-P263 HydrophobicContact CB-CG 4.31Å; L252-P263 HydrophobicContact CD1-CB 4.37Å; L252-P263 HydrophobicContact CD1-CG 4.47Å; L252-P263 HydrophobicContact CD2-CB 4.32Å; L252-F282 HydrophobicContact CD2-CE2 4.11Å; L252-F282 HydrophobicContact CD2-CZ 4.04Å; L252-P283 HydrophobicContact CD2-CG 4.35Å; L252-T305 HydrophobicContact CD2-CG2 4.3Å; L252-T305 HydrophobicContact CG-CG2 4.48Å |
| 253 | I | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 169.1 | -63.8 | 166 | 0 | 0 | 0 | 110.2 | L156 L161 S249 L250 Y255 E256 M257 | L156-I253 HydrophobicContact CD2-CD1 3.74Å; L156-I253 HydrophobicContact CG-CD1 3.64Å; L161-I253 HydrophobicContact CD1-CD1 4.29Å; L161-I253 HydrophobicContact CD1-CG2 3.5Å; S249-I253 WeakPolarHBondContact O-CG1 3.33Å; S249-I253 PolarHBondContact O-N 3.34Å; L250-I253 WeakPolarHBondContact O-CB 3.36Å; L250-I253 PolarHBondContact O-N 3.47Å; I253-Y255 VanDerWaalsContact C-N 3.33Å; I253-Y255 PolarHBondContact O-N 3.35Å; I253-E256 PolarHBondContact O-N 2.88Å; I253-M257 HydrophobicContact CG2-CE 3.83Å; I253-M257 HydrophobicContact CG2-CG 4.29Å; I253-M257 HydrophobicContact CG2-SD 4.27Å; I253-M257 WeakPolarHBondContact O-CB 3.4Å; I253-M257 WeakPolarHBondContact O-CG 3.49Å; I253-M257 PolarHBondContact O-N 3.49Å |
| 254 | L | 98.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 175.4 | 177.6 | 57.2 | 0 | 0 | 0 | 111.5 | A132 V136 L250 G251 E256 M257 F258 M297 I300 W323 | A132-L254 HydrophobicContact CB-CD1 4.1Å; V136-L254 HydrophobicContact CG2-CB 4.31Å; V136-L254 HydrophobicContact CG2-CD1 3.97Å; L250-L254 PolarHBondContact O-N 2.99Å; G251-L254 WeakPolarHBondContact O-CB 3.28Å; G251-L254 PolarHBondContact O-N 2.97Å; L254-E256 PolarHBondContact O-N 2.87Å; L254-M257 PolarHBondContact O-N 3.35Å; L254-F258 WeakPolarHBondContact O-CB 3.49Å; L254-F258 PolarHBondContact O-N 2.78Å; L254-M297 HydrophobicContact CD1-CE 3.3Å; L254-M297 HydrophobicContact CD1-CG 4.37Å; L254-M297 HydrophobicContact CD1-SD 4.49Å; L254-M297 HydrophobicContact CD2-CE 4.35Å; L254-M297 HydrophobicContact CD2-CG 4.22Å; L254-M297 HydrophobicContact CG-CE 3.76Å; L254-I300 HydrophobicContact CD2-CB 4.47Å; L254-I300 HydrophobicContact CD2-CG2 4Å; L254-W323 HydrophobicContact CD1-CH2 3.73Å; L254-W323 HydrophobicContact CD1-CZ2 4.37Å; L254-W323 HydrophobicContact CD2-CH2 4.22Å |
| 255 | Y | 97.2 | Very high | 95.9 | Very high | 27 Ų | 27 | 10.8 Ų | 10.8 | 11% | 0.106 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -55.3 | -50.6 | 171.6 | 165 | -92 | 0 | 0 | 0 | 111.7 | G251 L252 I253 M257 F258 T259 Q261 P263 P283 Q284 | G251-Y255 PolarHBondContact O-N 2.77Å; L252-Y255 WeakPolarHBondContact O-CB 3.42Å; L252-Y255 PolarHBondContact O-N 2.91Å; I253-Y255 VanDerWaalsContact C-N 3.33Å; I253-Y255 PolarHBondContact O-N 3.35Å; Y255-M257 PolarHBondContact O-N 2.8Å; Y255-F258 PolarHBondContact O-N 2.7Å; Y255-T259 HydrophobicContact CD2-CG2 3.91Å; Y255-T259 HydrophobicContact CE2-CG2 3.68Å; Y255-T259 WeakPolarHBondContact O-CB 3.04Å; Y255-T259 WeakPolarHBondContact O-CG2 3.08Å; Y255-T259 PolarHBondContact O-N 2.65Å; Y255-T259 PolarHBondContact O-OG1 2.95Å; Y255-Q261 VanDerWaalsContact CE1-O 3.24Å; Y255-Q261 WeakPolarHBondContact CE1-O 3.45Å; Y255-P263 HydrophobicContact CD1-CB 4.24Å; Y255-P263 HydrophobicContact CE1-CB 4.29Å; Y255-P283 HydrophobicContact CD1-CB 4.12Å; Y255-P283 HydrophobicContact CD2-CB 3.82Å; Y255-P283 HydrophobicContact CE1-CB 3.93Å; Y255-P283 HydrophobicContact CE2-CB 3.62Å; Y255-P283 HydrophobicContact CG-CB 4.07Å; Y255-Q284 VanDerWaalsContact CE2-O 3.29Å; Y255-Q284 WeakPolarHBondContact CE2-O 3.26Å |
| 256 | E | 95.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | -178.4 | -176.8 | -174.4 | -179 | 0 | 0 | 112 | H117 L120 S158 W228 L252 I253 L254 F258 G260 Q261 | H117-E256 IonicContact ND1-OE1 2.83Å; L120-E256 HydrophobicContact CD1-CG 3.82Å; S158-E256 VanDerWaalsContact CB-CD 3.48Å; S158-E256 WeakPolarHBondContact CB-OE1 3.31Å; S158-E256 WeakPolarHBondContact CB-OE2 3.46Å; S158-E256 PolarHBondContact OG-OE1 3.1Å; S158-E256 PolarHBondContact OG-OE2 2.83Å; W228-E256 WeakPolarHBondContact CZ2-OE2 3.16Å; W228-E256 PolarHBondContact NE1-OE2 2.82Å; L252-E256 PolarHBondContact O-N 3.46Å; I253-E256 PolarHBondContact O-N 2.88Å; L254-E256 PolarHBondContact O-N 2.87Å; E256-F258 VanDerWaalsContact C-N 3.3Å; E256-F258 PolarHBondContact O-N 2.88Å; E256-G260 VanDerWaalsContact O-CA 3.27Å; E256-G260 WeakPolarHBondContact O-CA 2.92Å; E256-G260 PolarHBondContact O-N 2.92Å; E256-Q261 WeakPolarHBondContact CA-O 3.37Å |
| 257 | M | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.6 | -35.3 | 177.3 | -74.9 | -169.9 | -62.7 | 0 | 0 | 112.7 | V116 G126 L127 A132 I135 V136 I253 L254 Y255 | V116-M257 HydrophobicContact CG1-CG 3.64Å; V116-M257 HydrophobicContact CG1-SD 3.84Å; G126-M257 CarbonylContact C-O 3.32Å; G126-M257 VanDerWaalsContact CA-O 3.31Å; G126-M257 WeakPolarHBondContact CA-O 3.47Å; L127-M257 HydrophobicContact CD1-CB 4.25Å; L127-M257 HydrophobicContact CD1-CG 4.01Å; L127-M257 HydrophobicContact CD1-SD 4.18Å; L127-M257 PolarHBondContact N-O 3.13Å; A132-M257 HydrophobicContact CB-CB 4.05Å; A132-M257 HydrophobicContact CB-CE 4.37Å; I135-M257 HydrophobicContact CB-CE 4.4Å; I135-M257 HydrophobicContact CB-SD 3.9Å; I135-M257 HydrophobicContact CD1-SD 3.91Å; I135-M257 HydrophobicContact CG2-CE 4.1Å; I135-M257 HydrophobicContact CG2-SD 3.55Å; I135-M257 VanDerWaalsContact CG2-SD 3.55Å; V136-M257 HydrophobicContact CG2-CE 3.41Å; V136-M257 VanDerWaalsContact CG2-CE 3.41Å; I253-M257 HydrophobicContact CG2-CE 3.83Å; I253-M257 HydrophobicContact CG2-CG 4.29Å; I253-M257 HydrophobicContact CG2-SD 4.27Å; I253-M257 WeakPolarHBondContact O-CB 3.4Å; I253-M257 WeakPolarHBondContact O-CG 3.49Å; I253-M257 PolarHBondContact O-N 3.49Å; L254-M257 PolarHBondContact O-N 3.35Å; Y255-M257 PolarHBondContact O-N 2.8Å |
| 258 | F | 95.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 17.8 Ų | 17.8 | 10% | 0.096 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -80.9 | -41.5 | -178.3 | -171.9 | -111.6 | 0 | 0 | 0 | 113.1 | G126 E129 L254 Y255 E256 L285 N291 P293 M297 | G126-F258 WeakPolarHBondContact CA-O 3.41Å; E129-F258 HydrophobicContact CB-CE2 4.19Å; L254-F258 WeakPolarHBondContact O-CB 3.49Å; L254-F258 PolarHBondContact O-N 2.78Å; Y255-F258 PolarHBondContact O-N 2.7Å; E256-F258 VanDerWaalsContact C-N 3.3Å; E256-F258 PolarHBondContact O-N 2.88Å; F258-L285 HydrophobicContact CB-CD1 3.91Å; F258-L285 HydrophobicContact CD1-CD1 3.79Å; F258-L285 HydrophobicContact CD1-CG 3.76Å; F258-L285 HydrophobicContact CE1-CG 4.23Å; F258-L285 HydrophobicContact CG-CD1 4.13Å; F258-L285 HydrophobicContact CG-CG 4.43Å; F258-N291 WeakPolarHBondContact CZ-O 3.33Å; F258-P293 HydrophobicContact CE1-CB 3.87Å; F258-P293 HydrophobicContact CE1-CG 4.19Å; F258-P293 HydrophobicContact CE2-CB 4.41Å; F258-P293 HydrophobicContact CZ-CB 3.77Å; F258-P293 HydrophobicContact CZ-CG 4.43Å; F258-M297 HydrophobicContact CB-CE 3.34Å; F258-M297 HydrophobicContact CD1-CE 4.13Å; F258-M297 HydrophobicContact CD2-CE 3.36Å; F258-M297 HydrophobicContact CD2-SD 3.69Å; F258-M297 HydrophobicContact CE2-CE 4.17Å; F258-M297 HydrophobicContact CE2-SD 3.93Å; F258-M297 HydrophobicContact CG-CE 3.33Å; F258-M297 HydrophobicContact CG-SD 4.17Å |
| 259 | T | 93.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 19.7 Ų | 19.7 | 9% | 0.086 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -86.9 | -24.5 | -176.3 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | Y255 Q261 H287 | Y255-T259 HydrophobicContact CD2-CG2 3.91Å; Y255-T259 HydrophobicContact CE2-CG2 3.68Å; Y255-T259 WeakPolarHBondContact O-CB 3.04Å; Y255-T259 WeakPolarHBondContact O-CG2 3.08Å; Y255-T259 PolarHBondContact O-N 2.65Å; Y255-T259 PolarHBondContact O-OG1 2.95Å; T259-Q261 PolarHBondContact OG1-N 2.87Å; T259-Q261 VanDerWaalsContact OG1-N 3.16Å; T259-Q261 PolarHBondContact OG1-O 3.36Å; T259-H287 HydrophobicContact CG2-CB 3.9Å |
| 260 | G | 92.3 | Very high | 93.4 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 79.9 | -0.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G125 E256 | G125-G260 VanDerWaalsContact C-CA 3.45Å; E256-G260 VanDerWaalsContact O-CA 3.27Å; E256-G260 WeakPolarHBondContact O-CA 2.92Å; E256-G260 PolarHBondContact O-N 2.92Å |
| 261 | Q | 91.3 | Very high | 93 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 33% | 0.327 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -115.1 | 129 | -170.8 | -64.1 | -60 | -33.6 | 0 | 0 | 110.5 | Y255 E256 T259 | Y255-Q261 VanDerWaalsContact CE1-O 3.24Å; Y255-Q261 WeakPolarHBondContact CE1-O 3.45Å; E256-Q261 WeakPolarHBondContact CA-O 3.37Å; T259-Q261 PolarHBondContact OG1-N 2.87Å; T259-Q261 VanDerWaalsContact OG1-N 3.16Å; T259-Q261 PolarHBondContact OG1-O 3.36Å |
| 262 | P | 92.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | trans | -59.3 | 145.8 | 172.1 | -26.8 | 38 | 0 | 0 | 0 | 111.7 | S221 W228 T265 | S221-P262 WeakPolarHBondContact O-CG 3.5Å; W228-P262 HydrophobicContact CH2-CB 4.17Å; W228-P262 HydrophobicContact CZ2-CB 4.23Å; P262-T265 PolarHBondContact O-N 2.82Å; P262-T265 PolarHBondContact O-OG1 3.13Å | ||
| 263 | P | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 141.5 | 175.9 | 27.4 | -34.6 | 0 | 0 | 0 | 110.2 | S223 A227 W228 L252 Y255 T265 P283 | S223-P263 VanDerWaalsContact CB-O 3.3Å; S223-P263 WeakPolarHBondContact CB-O 3.43Å; S223-P263 PolarHBondContact OG-O 3.36Å; A227-P263 HydrophobicContact CB-CB 4.44Å; A227-P263 HydrophobicContact CB-CG 3.92Å; A227-P263 WeakPolarHBondContact CB-O 3.04Å; W228-P263 HydrophobicContact CD2-CG 4.02Å; W228-P263 HydrophobicContact CG-CG 4.31Å; W228-P263 HydrophobicContact CZ2-CG 4.07Å; L252-P263 HydrophobicContact CB-CG 4.31Å; L252-P263 HydrophobicContact CD1-CB 4.37Å; L252-P263 HydrophobicContact CD1-CG 4.47Å; L252-P263 HydrophobicContact CD2-CB 4.32Å; Y255-P263 HydrophobicContact CD1-CB 4.24Å; Y255-P263 HydrophobicContact CE1-CB 4.29Å; P263-T265 PolarHBondContact O-N 3.43Å; P263-P283 HydrophobicContact CB-CG 4.09Å |
| 264 | Y | 93 | Very high | 92.2 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 35.1 | 178.8 | -52 | -81.7 | 0 | 0 | 0 | 114.6 | A227 G266 C267 I272 K275 K276 P283 | A227-Y264 HydrophobicContact CB-CD2 4.09Å; Y264-G266 PolarHBondContact O-N 3.19Å; Y264-C267 VanDerWaalsContact O-CB 3.24Å; Y264-C267 WeakPolarHBondContact O-CB 3.41Å; Y264-C267 PolarHBondContact O-N 3.39Å; Y264-I272 HydrophobicContact CD2-CG2 4.06Å; Y264-I272 HydrophobicContact CE2-CG2 4.47Å; Y264-I272 HydrophobicContact CG-CG1 4.24Å; Y264-I272 HydrophobicContact CG-CG2 4.19Å; Y264-K275 HydrophobicContact CD1-CD 3.97Å; Y264-K275 HydrophobicContact CE1-CB 3.98Å; Y264-K275 HydrophobicContact CE1-CD 4.09Å; Y264-K276 HydrophobicContact CE2-CG 4.36Å; Y264-P283 HydrophobicContact CD2-CG 4.31Å; Y264-P283 HydrophobicContact CE1-CG 4.41Å; Y264-P283 HydrophobicContact CE2-CG 3.95Å; Y264-P283 WeakPolarHBondContact OH-CD 3.38Å |
| 265 | T | 89.4 | Confident | 92.1 | Very high | 44 Ų | 44 | 36.4 Ų | 36.4 | 27% | 0.27 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 135 | 175.7 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | E220 P262 P263 C267 | E220-T265 WeakPolarHBondContact O-CG2 3.39Å; P262-T265 PolarHBondContact O-N 2.82Å; P262-T265 PolarHBondContact O-OG1 3.13Å; P263-T265 PolarHBondContact O-N 3.43Å; T265-C267 PolarHBondContact O-N 3.26Å |
| 266 | G | 85.7 | Confident | 92 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 65% | 0.649 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 0.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y222 Y264 | Y222-G266 PolarHBondContact O-N 3.48Å; Y264-G266 PolarHBondContact O-N 3.19Å |
| 267 | C | 88.7 | Confident | 92 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | trans | -88.2 | 131.3 | 177.4 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | Y264 T265 L271 I272 | Y264-C267 VanDerWaalsContact O-CB 3.24Å; Y264-C267 WeakPolarHBondContact O-CB 3.41Å; Y264-C267 PolarHBondContact O-N 3.39Å; T265-C267 PolarHBondContact O-N 3.26Å; C267-L271 HydrophobicContact CB-CD2 4.32Å; C267-I272 HydrophobicContact CB-CD1 4.22Å; C267-I272 HydrophobicContact CB-CG1 3.6Å; C267-I272 WeakPolarHBondContact O-CD1 3.43Å | ||
| 268 | P | 86.7 | Confident | 92 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | trans | -67 | 156.1 | 170.8 | 28.5 | -34.5 | 0 | 0 | 0 | 111 | S270 L271 I272 | P268-S270 VanDerWaalsContact C-N 3.26Å; P268-S270 PolarHBondContact O-N 2.61Å; P268-S270 VanDerWaalsContact O-N 3.13Å; P268-L271 HydrophobicContact CG-CB 3.89Å; P268-L271 PolarHBondContact O-N 3.46Å; P268-I272 WeakPolarHBondContact O-CG1 3.26Å; P268-I272 PolarHBondContact O-N 3.16Å | ||
| 269 | P | 86.4 | Confident | 91.9 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 29% | 0.286 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.2 | -36.8 | -174.4 | -25.8 | 33.7 | 0 | 0 | 0 | 114.5 | H224 I272 F273 | H224-P269 HydrophobicContact CB-CG 4Å; P269-I272 PolarHBondContact O-N 2.84Å; P269-F273 WeakPolarHBondContact O-CB 3.44Å; P269-F273 PolarHBondContact O-N 2.75Å |
| 270 | S | 89 | Confident | 91.9 | Very high | 81 Ų | 81 | 50.8 Ų | 50.8 | 57% | 0.566 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65 | -38.5 | 177.4 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | P268 F273 L274 | P268-S270 VanDerWaalsContact C-N 3.26Å; P268-S270 PolarHBondContact O-N 2.61Å; P268-S270 VanDerWaalsContact O-N 3.13Å; S270-F273 WeakPolarHBondContact O-CB 3.24Å; S270-F273 PolarHBondContact O-N 2.85Å; S270-L274 WeakPolarHBondContact O-CG 3.26Å; S270-L274 PolarHBondContact O-N 2.77Å; S270-L274 VanDerWaalsContact O-N 3.09Å |
| 271 | L | 91.4 | Very high | 91.8 | Very high | 69 Ų | 69 | 55.8 Ų | 55.8 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.9 | -39.3 | 176 | -177.8 | 59 | 0 | 0 | 0 | 111.2 | C267 P268 F273 L274 K275 | C267-L271 HydrophobicContact CB-CD2 4.32Å; P268-L271 HydrophobicContact CG-CB 3.89Å; P268-L271 PolarHBondContact O-N 3.46Å; L271-F273 VanDerWaalsContact C-N 3.29Å; L271-F273 PolarHBondContact O-N 2.79Å; L271-L274 PolarHBondContact O-N 3.49Å; L271-K275 HydrophobicContact CD1-CG 4.32Å; L271-K275 HydrophobicContact CG-CD 4.32Å; L271-K275 HydrophobicContact CG-CG 4.46Å; L271-K275 WeakPolarHBondContact O-CB 2.97Å; L271-K275 WeakPolarHBondContact O-CG 3.25Å; L271-K275 PolarHBondContact O-N 3.4Å |
| 272 | I | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58 | -46 | 173.7 | -61.8 | 175.1 | 0 | 0 | 0 | 110.1 | H224 V226 A227 Y264 C267 P268 P269 K275 K276 | H224-I272 HydrophobicContact CB-CD1 4.35Å; V226-I272 HydrophobicContact CG1-CB 4.4Å; V226-I272 HydrophobicContact CG1-CG2 3.98Å; A227-I272 HydrophobicContact CB-CD1 4.11Å; Y264-I272 HydrophobicContact CD2-CG2 4.06Å; Y264-I272 HydrophobicContact CE2-CG2 4.47Å; Y264-I272 HydrophobicContact CG-CG1 4.24Å; Y264-I272 HydrophobicContact CG-CG2 4.19Å; C267-I272 HydrophobicContact CB-CD1 4.22Å; C267-I272 HydrophobicContact CB-CG1 3.6Å; C267-I272 WeakPolarHBondContact O-CD1 3.43Å; P268-I272 WeakPolarHBondContact O-CG1 3.26Å; P268-I272 PolarHBondContact O-N 3.16Å; P269-I272 PolarHBondContact O-N 2.84Å; I272-K275 PolarHBondContact O-N 3.19Å; I272-K276 HydrophobicContact CG2-CD 4.03Å; I272-K276 WeakPolarHBondContact O-CG 3.2Å; I272-K276 PolarHBondContact O-N 2.89Å |
| 273 | F | 91.6 | Very high | 92 | Very high | 81 Ų | 81 | 55 Ų | 55 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.1 | -53.2 | 175.6 | 173.6 | -93.9 | 0 | 0 | 0 | 111.5 | L234 P269 S270 L271 K275 K276 M277 | L234-F273 HydrophobicContact CB-CD2 4.07Å; L234-F273 HydrophobicContact CB-CE2 4.3Å; P269-F273 WeakPolarHBondContact O-CB 3.44Å; P269-F273 PolarHBondContact O-N 2.75Å; S270-F273 WeakPolarHBondContact O-CB 3.24Å; S270-F273 PolarHBondContact O-N 2.85Å; L271-F273 VanDerWaalsContact C-N 3.29Å; L271-F273 PolarHBondContact O-N 2.79Å; F273-K275 PolarHBondContact O-N 3.42Å; F273-K276 PolarHBondContact O-N 2.83Å; F273-M277 HydrophobicContact CD1-CG 4.24Å; F273-M277 HydrophobicContact CD2-CG 4.25Å; F273-M277 HydrophobicContact CE1-CG 3.84Å; F273-M277 HydrophobicContact CE2-CG 3.86Å; F273-M277 HydrophobicContact CE2-SD 4.18Å; F273-M277 HydrophobicContact CG-CG 4.42Å; F273-M277 HydrophobicContact CZ-CG 3.64Å; F273-M277 HydrophobicContact CZ-SD 4.23Å; F273-M277 WeakPolarHBondContact O-CG 2.92Å; F273-M277 PolarHBondContact O-N 2.71Å |
| 274 | L | 95.3 | Very high | 91.8 | Very high | 91 Ų | 91 | 60.2 Ų | 60.2 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 179.5 | -72.4 | 173.8 | 0 | 0 | 0 | 112.4 | S270 L271 K276 M277 L278 | S270-L274 WeakPolarHBondContact O-CG 3.26Å; S270-L274 PolarHBondContact O-N 2.77Å; S270-L274 VanDerWaalsContact O-N 3.09Å; L271-L274 PolarHBondContact O-N 3.49Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.71Å; L274-M277 PolarHBondContact O-N 3.01Å; L274-L278 WeakPolarHBondContact O-CB 3.4Å; L274-L278 WeakPolarHBondContact O-CG 3.29Å; L274-L278 PolarHBondContact O-N 2.74Å |
| 275 | K | 96.9 | Very high | 91.6 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 16% | 0.161 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 177.5 | -78.1 | -176.1 | 170.9 | -158.6 | 0 | 111.9 | Y264 L271 I272 F273 Q279 L280 D281 | Y264-K275 HydrophobicContact CD1-CD 3.97Å; Y264-K275 HydrophobicContact CE1-CB 3.98Å; Y264-K275 HydrophobicContact CE1-CD 4.09Å; L271-K275 HydrophobicContact CD1-CG 4.32Å; L271-K275 HydrophobicContact CG-CD 4.32Å; L271-K275 HydrophobicContact CG-CG 4.46Å; L271-K275 WeakPolarHBondContact O-CB 2.97Å; L271-K275 WeakPolarHBondContact O-CG 3.25Å; L271-K275 PolarHBondContact O-N 3.4Å; I272-K275 PolarHBondContact O-N 3.19Å; F273-K275 PolarHBondContact O-N 3.42Å; K275-Q279 CarbonylContact O-C 3.43Å; K275-Q279 WeakPolarHBondContact O-CA 3.08Å; K275-Q279 PolarHBondContact O-N 3.01Å; K275-L280 WeakPolarHBondContact CB-O 3.34Å; K275-L280 PolarHBondContact O-N 2.94Å; K275-D281 HydrophobicContact CD-CB 4.12Å; K275-D281 WeakPolarHBondContact CE-OD2 3.32Å; K275-D281 IonicContact NZ-OD2 3.88Å; K275-D281 PolarHBondContact NZ-OD2 2.89Å |
| 276 | K | 95.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.2 | -46.9 | 177.4 | -73.4 | 172.9 | -179.2 | -85.6 | 0 | 112.1 | A227 Y229 L234 Y248 Y264 I272 F273 L274 L278 Q279 Y307 | A227-K276 VanDerWaalsContact O-CE 3.23Å; A227-K276 WeakPolarHBondContact O-CE 3.3Å; A227-K276 PolarHBondContact O-NZ 3.45Å; Y229-K276 WeakPolarHBondContact O-CE 3.47Å; Y229-K276 PolarHBondContact O-NZ 3.32Å; L234-K276 HydrophobicContact CD1-CD 3.4Å; L234-K276 VanDerWaalsContact CD1-CD 3.4Å; Y248-K276 PolarHBondContact OH-NZ 3.37Å; Y248-K276 VanDerWaalsContact OH-NZ 3.15Å; Y264-K276 HydrophobicContact CE2-CG 4.36Å; I272-K276 HydrophobicContact CG2-CD 4.03Å; I272-K276 WeakPolarHBondContact O-CG 3.2Å; I272-K276 PolarHBondContact O-N 2.89Å; F273-K276 PolarHBondContact O-N 2.83Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.71Å; K276-L278 VanDerWaalsContact C-N 3.28Å; K276-L278 PolarHBondContact O-N 2.82Å; K276-Q279 PolarHBondContact O-N 3.42Å; K276-Y307 WeakPolarHBondContact O-CE2 2.98Å |
| 277 | M | 94.7 | Very high | 90 | Very high | 43 Ų | 43 | 65.4 Ų | 65.4 | 21% | 0.212 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.1 | -33.4 | -179.1 | -67.2 | -59.4 | 95.7 | 0 | 0 | 112.9 | P231 L234 A235 F273 L274 | P231-M277 HydrophobicContact CB-CE 3.72Å; P231-M277 VanDerWaalsContact O-CE 3.25Å; P231-M277 WeakPolarHBondContact O-CE 3.04Å; L234-M277 HydrophobicContact CB-CE 4.36Å; A235-M277 HydrophobicContact CB-CE 4.12Å; A235-M277 HydrophobicContact CB-SD 3.78Å; F273-M277 HydrophobicContact CD1-CG 4.24Å; F273-M277 HydrophobicContact CD2-CG 4.25Å; F273-M277 HydrophobicContact CE1-CG 3.84Å; F273-M277 HydrophobicContact CE2-CG 3.86Å; F273-M277 HydrophobicContact CE2-SD 4.18Å; F273-M277 HydrophobicContact CG-CG 4.42Å; F273-M277 HydrophobicContact CZ-CG 3.64Å; F273-M277 HydrophobicContact CZ-SD 4.23Å; F273-M277 WeakPolarHBondContact O-CG 2.92Å; F273-M277 PolarHBondContact O-N 2.71Å; L274-M277 PolarHBondContact O-N 3.01Å |
| 278 | L | 96.3 | Very high | 88.9 | Confident | 111 Ų | 111 | 68.4 Ų | 68.4 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 2.9 | -179.3 | -59 | 178.3 | 0 | 0 | 0 | 113.5 | L274 K276 L280 | L274-L278 WeakPolarHBondContact O-CB 3.4Å; L274-L278 WeakPolarHBondContact O-CG 3.29Å; L274-L278 PolarHBondContact O-N 2.74Å; K276-L278 VanDerWaalsContact C-N 3.28Å; K276-L278 PolarHBondContact O-N 2.82Å; L278-L280 HydrophobicContact CB-CD1 3.81Å; L278-L280 HydrophobicContact CB-CG 3.74Å; L278-L280 HydrophobicContact CD1-CD1 4.03Å; L278-L280 PolarHBondContact O-N 3.22Å |
| 279 | Q | 94.9 | Very high | 87.9 | Confident | 120 Ų | 120 | 74.6 Ų | 74.6 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 34.7 | -175.8 | -57.5 | 175.7 | 8.2 | 0 | 0 | 113.8 | K275 K276 Y307 | K275-Q279 CarbonylContact O-C 3.43Å; K275-Q279 WeakPolarHBondContact O-CA 3.08Å; K275-Q279 PolarHBondContact O-N 3.01Å; K276-Q279 PolarHBondContact O-N 3.42Å; Q279-Y307 HydrophobicContact CG-CD2 3.57Å; Q279-Y307 HydrophobicContact CG-CE2 3.72Å; Q279-Y307 HydrophobicContact CG-CG 4.11Å |
| 280 | L | 93.1 | Very high | 87.3 | Confident | 90 Ų | 90 | 78.2 Ų | 78.2 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | trans | -94.2 | 144.1 | -179.6 | -59.4 | 176.6 | 0 | 0 | 0 | 111.2 | K275 L278 F282 | K275-L280 WeakPolarHBondContact CB-O 3.34Å; K275-L280 PolarHBondContact O-N 2.94Å; L278-L280 HydrophobicContact CB-CD1 3.81Å; L278-L280 HydrophobicContact CB-CG 3.74Å; L278-L280 HydrophobicContact CD1-CD1 4.03Å; L278-L280 PolarHBondContact O-N 3.22Å; L280-F282 PolarHBondContact O-N 2.61Å; L280-F282 VanDerWaalsContact O-N 3.1Å | ||
| 281 | D | 89.1 | Confident | 86.9 | Confident | 115 Ų | 115 | 78.9 Ų | 78.9 | 62% | 0.615 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 46.4 | 41.3 | 175.8 | -54.6 | -23.9 | 0 | 0 | 0 | 113.5 | K275 | K275-D281 HydrophobicContact CD-CB 4.12Å; K275-D281 WeakPolarHBondContact CE-OD2 3.32Å; K275-D281 IonicContact NZ-OD2 3.88Å; K275-D281 PolarHBondContact NZ-OD2 2.89Å |
| 282 | F | 93.8 | Very high | 86.8 | Confident | 49 Ų | 49 | 79.2 Ų | 79.2 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | trans | -62.3 | 130.6 | 178.3 | -179.2 | -99.4 | 0 | 0 | 0 | 109.7 | Y248 L252 L280 Q284 Y301 T305 | Y248-F282 HydrophobicContact CE2-CE2 4.39Å; Y248-F282 WeakPolarHBondContact OH-CE2 3.3Å; L252-F282 HydrophobicContact CD2-CE2 4.11Å; L252-F282 HydrophobicContact CD2-CZ 4.04Å; L280-F282 PolarHBondContact O-N 2.61Å; L280-F282 VanDerWaalsContact O-N 3.1Å; F282-Q284 PolarHBondContact O-N 3.27Å; F282-Q284 PolarHBondContact O-NE2 2.68Å; F282-Y301 AromaticContact CE1-CE1 3.92Å; F282-Y301 HydrophobicContact CE1-CE1 3.92Å; F282-Y301 AromaticContact CE1-CZ 3.74Å; F282-Y301 WeakPolarHBondContact CE1-OH 3.45Å; F282-Y301 AromaticContact CZ-CZ 3.96Å; F282-Y301 WeakPolarHBondContact CZ-OH 3.46Å; F282-T305 VanDerWaalsContact CZ-CB 3.4Å; F282-T305 HydrophobicContact CZ-CG2 3.87Å; F282-T305 WeakPolarHBondContact CZ-OG1 3.42Å | ||
| 283 | P | 93.6 | Very high | 86.9 | Confident | 10 Ų | 10 | 79.8 Ų | 79.8 | 7% | 0.065 | 41% | 0.405 | C | S | . | . | trans | -49.5 | 131.9 | -179.7 | -28.8 | 34.7 | 0 | 0 | 0 | 111.8 | L252 Y255 P263 Y264 Y301 | L252-P283 HydrophobicContact CD2-CG 4.35Å; Y255-P283 HydrophobicContact CD1-CB 4.12Å; Y255-P283 HydrophobicContact CD2-CB 3.82Å; Y255-P283 HydrophobicContact CE1-CB 3.93Å; Y255-P283 HydrophobicContact CE2-CB 3.62Å; Y255-P283 HydrophobicContact CG-CB 4.07Å; P263-P283 HydrophobicContact CB-CG 4.09Å; Y264-P283 HydrophobicContact CD2-CG 4.31Å; Y264-P283 HydrophobicContact CE1-CG 4.41Å; Y264-P283 HydrophobicContact CE2-CG 3.95Å; Y264-P283 WeakPolarHBondContact OH-CD 3.38Å; P283-Y301 PolarHBondContact O-OH 3.27Å | ||
| 284 | Q | 91.1 | Very high | 87.1 | Confident | 109 Ų | 109 | 77.6 Ų | 77.6 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | trans | -110.5 | 133.7 | 179.7 | -63 | -60.4 | -42.8 | 0 | 0 | 109.5 | Y255 F282 H286 | Y255-Q284 VanDerWaalsContact CE2-O 3.29Å; Y255-Q284 WeakPolarHBondContact CE2-O 3.26Å; F282-Q284 PolarHBondContact O-N 3.27Å; F282-Q284 PolarHBondContact O-NE2 2.68Å; Q284-H286 PolarHBondContact O-N 3.15Å | ||
| 285 | L | 88.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -63.8 | -26.7 | -178.2 | -159.5 | 65.9 | 0 | 0 | 0 | 112.8 | F258 H287 P293 M297 Y301 | F258-L285 HydrophobicContact CB-CD1 3.91Å; F258-L285 HydrophobicContact CD1-CD1 3.79Å; F258-L285 HydrophobicContact CD1-CG 3.76Å; F258-L285 HydrophobicContact CE1-CG 4.23Å; F258-L285 HydrophobicContact CG-CD1 4.13Å; F258-L285 HydrophobicContact CG-CG 4.43Å; L285-H287 PolarHBondContact O-N 3.14Å; L285-P293 HydrophobicContact CB-CG 4.39Å; L285-P293 HydrophobicContact CD2-CB 3.53Å; L285-P293 HydrophobicContact CD2-CG 3.76Å; L285-P293 HydrophobicContact CG-CB 4.1Å; L285-P293 HydrophobicContact CG-CG 4.04Å; L285-M297 HydrophobicContact CD1-CE 3.98Å; L285-M297 HydrophobicContact CD2-CE 3.88Å; L285-M297 HydrophobicContact CD2-CG 3.98Å; L285-M297 HydrophobicContact CD2-SD 4.27Å; L285-M297 HydrophobicContact CG-CE 4.34Å; L285-Y301 HydrophobicContact CB-CD1 3.97Å; L285-Y301 HydrophobicContact CB-CE1 4.21Å; L285-Y301 HydrophobicContact CD1-CG 4.43Å; L285-Y301 HydrophobicContact CD2-CD1 4.49Å; L285-Y301 HydrophobicContact CD2-CG 4.35Å |
| 286 | H | 75.9 | Confident | 87.2 | Confident | 101 Ų | 101 | 80 Ų | 80 | 47% | 0.468 | 42% | 0.422 | S | S | . | . | trans | -73.7 | 84.3 | 176.5 | -63.4 | 109 | 0 | 0 | 0 | 111.5 | Q284 E298 | Q284-H286 PolarHBondContact O-N 3.15Å; H286-E298 IonicContact CE1-OE1 3.15Å; H286-E298 PolarHBondContact CE1-OE1 3.47Å; H286-E298 IonicContact CE1-OE2 3.52Å; H286-E298 IonicContact ND1-OE1 3.89Å; H286-E298 IonicContact NE2-OE2 3.83Å | ||
| 287 | H | 65.3 | Low | 87.3 | Confident | 129 Ų | 129 | 79.8 Ų | 79.8 | 60% | 0.597 | 42% | 0.422 | S | S | * | . | trans | -99.4 | -29.7 | 173.5 | -172.5 | -84.4 | 0 | 0 | 0 | 113.1 | T259 L285 | T259-H287 HydrophobicContact CG2-CB 3.9Å; L285-H287 PolarHBondContact O-N 3.14Å | ||
| 288 | N | 65.6 | Low | 87.3 | Confident | 85 Ų | 85 | 79.7 Ų | 79.7 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | trans | -133.1 | 121.8 | -174.2 | -171.7 | -4 | 0 | 0 | 0 | 111.8 | T290 N291 | N288-T290 VanDerWaalsContact CG-OG1 3.26Å; N288-T290 PolarHBondContact ND2-OG1 3.1Å; N288-T290 PolarHBondContact O-N 2.84Å; N288-T290 PolarHBondContact OD1-N 2.93Å; N288-T290 PolarHBondContact OD1-OG1 3.14Å; N288-N291 PolarHBondContact O-N 2.93Å | ||
| 289 | E | 67.2 | Low | 87.4 | Confident | 196 Ų | 196 | 77 Ų | 77 | 92% | 0.916 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.8 | 177.1 | -64.7 | -173.5 | 170.3 | 0 | 0 | 112.9 | N291 | E289-N291 PolarHBondContact O-N 3.07Š|
| 290 | T | 73.8 | Confident | 87.6 | Confident | 119 Ų | 119 | 71.8 Ų | 71.8 | 73% | 0.73 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -18.8 | -176 | 66.7 | 0 | 0 | 0 | 0 | 113.8 | N288 | N288-T290 VanDerWaalsContact CG-OG1 3.26Å; N288-T290 PolarHBondContact ND2-OG1 3.1Å; N288-T290 PolarHBondContact O-N 2.84Å; N288-T290 PolarHBondContact OD1-N 2.93Å; N288-T290 PolarHBondContact OD1-OG1 3.14Å |
| 291 | N | 80.4 | Confident | 87.8 | Confident | 95 Ų | 95 | 67.7 Ų | 67.7 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -145.3 | 73.7 | 179.6 | -169.3 | 33.7 | 0 | 0 | 0 | 110.1 | F258 N288 E289 | F258-N291 WeakPolarHBondContact CZ-O 3.33Å; N288-N291 PolarHBondContact O-N 2.93Å; E289-N291 PolarHBondContact O-N 3.07Å |
| 292 | P | 89.6 | Confident | 88.3 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 150.1 | 179.2 | 29.2 | -34.8 | 0 | 0 | 0 | 110.8 | ||
| 293 | P | 94 | Very high | 88.5 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 8% | 0.078 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 150.7 | 173.8 | 29.8 | -34.2 | 0 | 0 | 0 | 110.4 | F258 L285 M297 | F258-P293 HydrophobicContact CE1-CB 3.87Å; F258-P293 HydrophobicContact CE1-CG 4.19Å; F258-P293 HydrophobicContact CE2-CB 4.41Å; F258-P293 HydrophobicContact CZ-CB 3.77Å; F258-P293 HydrophobicContact CZ-CG 4.43Å; L285-P293 HydrophobicContact CB-CG 4.39Å; L285-P293 HydrophobicContact CD2-CB 3.53Å; L285-P293 HydrophobicContact CD2-CG 3.76Å; L285-P293 HydrophobicContact CG-CB 4.1Å; L285-P293 HydrophobicContact CG-CG 4.04Å; P293-M297 HydrophobicContact CB-CB 4.42Å; P293-M297 HydrophobicContact CB-CG 4.4Å; P293-M297 HydrophobicContact CB-SD 4Å |
| 294 | S | 95.6 | Very high | 88.7 | Confident | 35 Ų | 35 | 66.2 Ų | 66.2 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 154.8 | 168.6 | 78.7 | 0 | 0 | 0 | 0 | 111.4 | E129 E296 M297 E298 | E129-S294 WeakPolarHBondContact OE1-CB 3.47Å; E129-S294 PolarHBondContact OE1-OG 3.45Å; E129-S294 WeakPolarHBondContact OE2-CB 3.09Å; E129-S294 PolarHBondContact OE2-N 3.44Å; E129-S294 PolarHBondContact OE2-OG 3.27Å; S294-E296 PolarHBondContact O-N 2.95Å; S294-E296 PolarHBondContact OG-N 3.13Å; S294-M297 PolarHBondContact O-N 2.85Å; S294-M297 WeakPolarHBondContact OG-CB 3.37Å; S294-M297 PolarHBondContact OG-N 3.34Å; S294-E298 PolarHBondContact O-N 2.9Å |
| 295 | A | 95.5 | Very high | 89.1 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 66% | 0.661 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.2 | -31.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A299 | A295-A299 VanDerWaalsContact O-CB 3.27Å; A295-A299 WeakPolarHBondContact O-CB 3.08Å; A295-A299 PolarHBondContact O-N 3.21Å |
| 296 | E | 97.4 | Very high | 89.5 | Confident | 98 Ų | 98 | 65.5 Ų | 65.5 | 46% | 0.458 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.7 | -46.8 | 176.7 | -63.8 | -173.1 | 111.5 | 0 | 0 | 111.4 | S294 E298 A299 I300 W323 | S294-E296 PolarHBondContact O-N 2.95Å; S294-E296 PolarHBondContact OG-N 3.13Å; E296-E298 VanDerWaalsContact C-N 3.33Å; E296-E298 PolarHBondContact O-N 3Å; E296-A299 WeakPolarHBondContact O-CB 3.48Å; E296-A299 PolarHBondContact O-N 2.93Å; E296-I300 WeakPolarHBondContact O-CG1 3.19Å; E296-I300 PolarHBondContact O-N 2.8Å; E296-W323 HydrophobicContact CB-CB 4.06Å; E296-W323 HydrophobicContact CB-CG 4.13Å |
| 297 | M | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 176.5 | -178.1 | 179.9 | 174.1 | 0 | 0 | 111.6 | E129 L254 F258 L285 P293 S294 A299 I300 Y301 W323 | E129-M297 HydrophobicContact CB-SD 4.03Å; E129-M297 HydrophobicContact CG-CB 4.46Å; E129-M297 HydrophobicContact CG-SD 3.62Å; E129-M297 WeakPolarHBondContact OE1-CB 3.38Å; L254-M297 HydrophobicContact CD1-CE 3.3Å; L254-M297 HydrophobicContact CD1-CG 4.37Å; L254-M297 HydrophobicContact CD1-SD 4.49Å; L254-M297 HydrophobicContact CD2-CE 4.35Å; L254-M297 HydrophobicContact CD2-CG 4.22Å; L254-M297 HydrophobicContact CG-CE 3.76Å; F258-M297 HydrophobicContact CB-CE 3.34Å; F258-M297 HydrophobicContact CD1-CE 4.13Å; F258-M297 HydrophobicContact CD2-CE 3.36Å; F258-M297 HydrophobicContact CD2-SD 3.69Å; F258-M297 HydrophobicContact CE2-CE 4.17Å; F258-M297 HydrophobicContact CE2-SD 3.93Å; F258-M297 HydrophobicContact CG-CE 3.33Å; F258-M297 HydrophobicContact CG-SD 4.17Å; L285-M297 HydrophobicContact CD1-CE 3.98Å; L285-M297 HydrophobicContact CD2-CE 3.88Å; L285-M297 HydrophobicContact CD2-CG 3.98Å; L285-M297 HydrophobicContact CD2-SD 4.27Å; L285-M297 HydrophobicContact CG-CE 4.34Å; P293-M297 HydrophobicContact CB-CB 4.42Å; P293-M297 HydrophobicContact CB-CG 4.4Å; P293-M297 HydrophobicContact CB-SD 4Å; S294-M297 PolarHBondContact O-N 2.85Å; S294-M297 WeakPolarHBondContact OG-CB 3.37Å; S294-M297 PolarHBondContact OG-N 3.34Å; M297-A299 VanDerWaalsContact C-N 3.32Å; M297-A299 PolarHBondContact O-N 3.11Å; M297-I300 PolarHBondContact O-N 3.2Å; M297-Y301 WeakPolarHBondContact O-CB 3.46Å; M297-Y301 PolarHBondContact O-N 2.79Å; M297-W323 HydrophobicContact CB-CZ2 4Å; M297-W323 HydrophobicContact CG-CH2 4.43Å; M297-W323 HydrophobicContact CG-CZ2 3.74Å; M297-W323 HydrophobicContact SD-CZ2 4.25Å |
| 298 | E | 96.4 | Very high | 92 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 176.7 | -166 | -174.1 | 174.5 | 0 | 0 | 111.6 | H286 S294 E296 Y301 K302 | H286-E298 IonicContact CE1-OE1 3.15Å; H286-E298 PolarHBondContact CE1-OE1 3.47Å; H286-E298 IonicContact CE1-OE2 3.52Å; H286-E298 IonicContact ND1-OE1 3.89Å; H286-E298 IonicContact NE2-OE2 3.83Å; S294-E298 PolarHBondContact O-N 2.9Å; E296-E298 VanDerWaalsContact C-N 3.33Å; E296-E298 PolarHBondContact O-N 3Å; E298-Y301 PolarHBondContact O-N 2.91Å; E298-K302 HydrophobicContact CG-CD 4.31Å; E298-K302 WeakPolarHBondContact O-CB 3.25Å; E298-K302 WeakPolarHBondContact O-CG 3.46Å; E298-K302 PolarHBondContact O-N 3.15Å; E298-K302 WeakPolarHBondContact OE1-CE 3.44Å; E298-K302 IonicContact OE1-NZ 3.71Å; E298-K302 PolarHBondContact OE1-NZ 2.88Å |
| 299 | A | 97.6 | Very high | 93.4 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A295 E296 M297 K302 A303 | A295-A299 VanDerWaalsContact O-CB 3.27Å; A295-A299 WeakPolarHBondContact O-CB 3.08Å; A295-A299 PolarHBondContact O-N 3.21Å; E296-A299 WeakPolarHBondContact O-CB 3.48Å; E296-A299 PolarHBondContact O-N 2.93Å; M297-A299 VanDerWaalsContact C-N 3.32Å; M297-A299 PolarHBondContact O-N 3.11Å; A299-K302 PolarHBondContact O-N 3.01Å; A299-A303 VanDerWaalsContact O-CB 3.25Å; A299-A303 WeakPolarHBondContact O-CB 3.33Å; A299-A303 PolarHBondContact O-N 2.94Å |
| 300 | I | 98.5 | Very high | 94.7 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.046 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 173.7 | -65 | -63.5 | 0 | 0 | 0 | 110.4 | L254 E296 M297 K302 A303 C304 L318 M321 W323 I324 | L254-I300 HydrophobicContact CD2-CB 4.47Å; L254-I300 HydrophobicContact CD2-CG2 4Å; E296-I300 WeakPolarHBondContact O-CG1 3.19Å; E296-I300 PolarHBondContact O-N 2.8Å; M297-I300 PolarHBondContact O-N 3.2Å; I300-K302 PolarHBondContact O-N 2.6Å; I300-A303 PolarHBondContact O-N 2.86Å; I300-C304 WeakPolarHBondContact O-CB 3.26Å; I300-C304 PolarHBondContact O-N 3.14Å; I300-C304 PolarHBondContact O-SG 3.24Å; I300-C304 VanDerWaalsContact O-SG 3.36Å; I300-L318 HydrophobicContact CD1-CD2 4.3Å; I300-M321 HydrophobicContact CD1-CB 4.05Å; I300-M321 HydrophobicContact CD1-CG 4.28Å; I300-M321 HydrophobicContact CD1-SD 3.21Å; I300-M321 WeakPolarHBondContact CD1-SD 2.94Å; I300-W323 HydrophobicContact CG1-CB 4.17Å; I300-W323 HydrophobicContact CG1-CD2 4.22Å; I300-W323 HydrophobicContact CG1-CE3 3.93Å; I300-W323 HydrophobicContact CG1-CG 4.36Å; I300-W323 HydrophobicContact CG2-CE3 4.43Å; I300-W323 HydrophobicContact CG2-CZ3 4.41Å; I300-I324 HydrophobicContact CD1-CG1 4.17Å |
| 301 | Y | 98.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.4 | -53.9 | 179.1 | 178.3 | -116 | 0 | 0 | 0 | 111.4 | G251 F282 P283 L285 M297 E298 A303 C304 T305 | G251-Y301 VanDerWaalsContact O-CD2 3.25Å; G251-Y301 WeakPolarHBondContact O-CD2 3.47Å; G251-Y301 WeakPolarHBondContact O-CE2 3.29Å; F282-Y301 AromaticContact CE1-CE1 3.92Å; F282-Y301 HydrophobicContact CE1-CE1 3.92Å; F282-Y301 AromaticContact CE1-CZ 3.74Å; F282-Y301 WeakPolarHBondContact CE1-OH 3.45Å; F282-Y301 AromaticContact CZ-CZ 3.96Å; F282-Y301 WeakPolarHBondContact CZ-OH 3.46Å; P283-Y301 PolarHBondContact O-OH 3.27Å; L285-Y301 HydrophobicContact CB-CD1 3.97Å; L285-Y301 HydrophobicContact CB-CE1 4.21Å; L285-Y301 HydrophobicContact CD1-CG 4.43Å; L285-Y301 HydrophobicContact CD2-CD1 4.49Å; L285-Y301 HydrophobicContact CD2-CG 4.35Å; M297-Y301 WeakPolarHBondContact O-CB 3.46Å; M297-Y301 PolarHBondContact O-N 2.79Å; E298-Y301 PolarHBondContact O-N 2.91Å; Y301-A303 PolarHBondContact O-N 3.45Å; Y301-C304 PolarHBondContact O-N 3.43Å; Y301-T305 HydrophobicContact CD2-CG2 3.97Å; Y301-T305 HydrophobicContact CE2-CG2 3.6Å; Y301-T305 WeakPolarHBondContact O-CG2 3.43Å; Y301-T305 PolarHBondContact O-N 3.15Å; Y301-T305 PolarHBondContact O-OG1 3.09Å |
| 302 | K | 98 | Very high | 96.7 | Very high | 113 Ų | 113 | 55 Ų | 55 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 179.5 | -72.9 | 175.9 | -178.9 | 168.2 | 0 | 112.9 | E298 A299 I300 H306 | E298-K302 HydrophobicContact CG-CD 4.31Å; E298-K302 WeakPolarHBondContact O-CB 3.25Å; E298-K302 WeakPolarHBondContact O-CG 3.46Å; E298-K302 PolarHBondContact O-N 3.15Å; E298-K302 WeakPolarHBondContact OE1-CE 3.44Å; E298-K302 IonicContact OE1-NZ 3.71Å; E298-K302 PolarHBondContact OE1-NZ 2.88Å; A299-K302 PolarHBondContact O-N 3.01Å; I300-K302 PolarHBondContact O-N 2.6Å; K302-H306 PolarHBondContact O-N 3.43Å; K302-H306 VanDerWaalsContact O-N 3.15Å |
| 303 | A | 98.6 | Very high | 97.1 | Very high | 30 Ų | 30 | 52 Ų | 52 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A299 I300 Y301 P313 | A299-A303 VanDerWaalsContact O-CB 3.25Å; A299-A303 WeakPolarHBondContact O-CB 3.33Å; A299-A303 PolarHBondContact O-N 2.94Å; I300-A303 PolarHBondContact O-N 2.86Å; Y301-A303 PolarHBondContact O-N 3.45Å; A303-P313 HydrophobicContact CB-CG 4.3Å; A303-P313 WeakPolarHBondContact O-CD 3.46Å |
| 304 | C | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 178.5 | -72.7 | 0 | 0 | 0 | 0 | 112.5 | I247 Y248 I300 Y301 R312 | I247-C304 HydrophobicContact CG2-CB 4.06Å; Y248-C304 VanDerWaalsContact CA-O 3.29Å; Y248-C304 WeakPolarHBondContact CA-O 3.33Å; I300-C304 WeakPolarHBondContact O-CB 3.26Å; I300-C304 PolarHBondContact O-N 3.14Å; I300-C304 PolarHBondContact O-SG 3.24Å; I300-C304 VanDerWaalsContact O-SG 3.36Å; Y301-C304 PolarHBondContact O-N 3.43Å; C304-R312 VanDerWaalsContact O-CD 3.25Å; C304-R312 WeakPolarHBondContact O-CD 3.19Å |
| 305 | T | 98.3 | Very high | 97.3 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 17.5 | -175.7 | 67.8 | 0 | 0 | 0 | 0 | 114.4 | L252 F282 Y301 Y307 | L252-T305 HydrophobicContact CD2-CG2 4.3Å; L252-T305 HydrophobicContact CG-CG2 4.48Å; F282-T305 VanDerWaalsContact CZ-CB 3.4Å; F282-T305 HydrophobicContact CZ-CG2 3.87Å; F282-T305 WeakPolarHBondContact CZ-OG1 3.42Å; Y301-T305 HydrophobicContact CD2-CG2 3.97Å; Y301-T305 HydrophobicContact CE2-CG2 3.6Å; Y301-T305 WeakPolarHBondContact O-CG2 3.43Å; Y301-T305 PolarHBondContact O-N 3.15Å; Y301-T305 PolarHBondContact O-OG1 3.09Å; T305-Y307 PolarHBondContact O-N 2.87Å |
| 306 | H | 98.2 | Very high | 97.3 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 38% | 0.384 | 27% | 0.271 | S | S | . | . | trans | -57.5 | 138.7 | 176.5 | -166.6 | -78.7 | 0 | 0 | 0 | 110.9 | K302 D308 Q311 R312 | K302-H306 PolarHBondContact O-N 3.43Å; K302-H306 VanDerWaalsContact O-N 3.15Å; H306-D308 PolarHBondContact ND1-N 3.28Å; H306-D308 PolarHBondContact ND1-O 2.76Å; H306-Q311 HydrophobicContact CB-CB 4.29Å; H306-Q311 WeakPolarHBondContact ND1-CB 3.33Å; H306-R312 HydrophobicContact CB-CG 4.07Å; H306-R312 PolarHBondContact O-NE 2.99Å; H306-R312 PolarHBondContact O-NH2 3.48Å; H306-R312 VanDerWaalsContact O-NH2 3.14Å | ||
| 307 | Y | 96.6 | Very high | 97.4 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 37% | 0.369 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -63 | -51.7 | -177 | -174.6 | -97.8 | 0 | 0 | 0 | 111.8 | P231 K276 Q279 T305 P309 R312 | P231-Y307 HydrophobicContact CB-CD2 4.14Å; P231-Y307 HydrophobicContact CB-CE2 3.64Å; P231-Y307 HydrophobicContact CG-CD2 3.87Å; P231-Y307 HydrophobicContact CG-CE2 3.84Å; K276-Y307 WeakPolarHBondContact O-CE2 2.98Å; Q279-Y307 HydrophobicContact CG-CD2 3.57Å; Q279-Y307 HydrophobicContact CG-CE2 3.72Å; Q279-Y307 HydrophobicContact CG-CG 4.11Å; T305-Y307 PolarHBondContact O-N 2.87Å; Y307-P309 VanDerWaalsContact O-CD 3.3Å; Y307-P309 WeakPolarHBondContact O-CD 3.47Å; Y307-R312 PolarHBondContact O-NH2 3.22Å |
| 308 | D | 95.7 | Very high | 97.5 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -67.1 | 115.6 | 172.6 | -180 | 1.2 | 0 | 0 | 0 | 110.1 | H306 K310 Q311 | H306-D308 PolarHBondContact ND1-N 3.28Å; H306-D308 PolarHBondContact ND1-O 2.76Å; D308-K310 PolarHBondContact O-N 2.84Å; D308-K310 WeakPolarHBondContact OD1-CB 3.43Å; D308-K310 PolarHBondContact OD1-N 2.78Å; D308-Q311 HydrophobicContact CB-CG 3.98Å; D308-Q311 PolarHBondContact O-N 3.07Å; D308-Q311 VanDerWaalsContact O-N 3.16Å |
| 309 | P | 95.5 | Very high | 97.5 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -60.6 | -23.2 | 179.7 | 23.7 | -33.8 | 0 | 0 | 0 | 113.8 | E232 S244 Y307 Q311 R312 | E232-P309 HydrophobicContact CB-CG 4.43Å; E232-P309 HydrophobicContact CG-CB 4.27Å; E232-P309 HydrophobicContact CG-CG 4.11Å; S244-P309 WeakPolarHBondContact CB-O 3.48Å; S244-P309 VanDerWaalsContact OG-CB 3.32Å; S244-P309 WeakPolarHBondContact OG-CB 3.45Å; Y307-P309 VanDerWaalsContact O-CD 3.3Å; Y307-P309 WeakPolarHBondContact O-CD 3.47Å; P309-Q311 VanDerWaalsContact C-N 3.27Å; P309-Q311 PolarHBondContact O-N 3.4Å; P309-R312 PolarHBondContact O-N 3.49Å |
| 310 | K | 94.5 | Very high | 97.5 | Very high | 185 Ų | 185 | 56.6 Ų | 56.6 | 80% | 0.804 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -74.1 | -18.9 | 179.7 | -62.8 | 176.5 | -178.1 | 173.8 | 0 | 113.4 | D308 | D308-K310 PolarHBondContact O-N 2.84Å; D308-K310 WeakPolarHBondContact OD1-CB 3.43Å; D308-K310 PolarHBondContact OD1-N 2.78Å |
| 311 | Q | 98 | Very high | 97.5 | Very high | 122 Ų | 122 | 58.9 Ų | 58.9 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -91.5 | -5 | 177.2 | -57.5 | -63.9 | -12.4 | 0 | 0 | 112.3 | H306 D308 P309 | H306-Q311 HydrophobicContact CB-CB 4.29Å; H306-Q311 WeakPolarHBondContact ND1-CB 3.33Å; D308-Q311 HydrophobicContact CB-CG 3.98Å; D308-Q311 PolarHBondContact O-N 3.07Å; D308-Q311 VanDerWaalsContact O-N 3.16Å; P309-Q311 VanDerWaalsContact C-N 3.27Å; P309-Q311 PolarHBondContact O-N 3.4Å |
| 312 | R | 98.2 | Very high | 97.5 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 6% | 0.057 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -79.7 | 140.3 | 176.1 | -60.2 | 178.8 | -161.2 | 144.3 | 12.1 | 109.4 | E232 S244 I247 C304 H306 Y307 P309 | E232-R312 VanDerWaalsContact CD-NH1 3.3Å; E232-R312 IonicContact OE1-CZ 2.9Å; E232-R312 IonicContact OE1-NH1 2.87Å; E232-R312 PolarHBondContact OE1-NH1 2.68Å; E232-R312 IonicContact OE1-NH2 3.7Å; E232-R312 IonicContact OE2-CZ 3.87Å; E232-R312 IonicContact OE2-NH1 2.82Å; E232-R312 PolarHBondContact OE2-NH1 3.48Å; E232-R312 IonicContact OE2-NH2 3.01Å; E232-R312 PolarHBondContact OE2-NH2 2.87Å; S244-R312 WeakPolarHBondContact O-CD 3.38Å; S244-R312 PolarHBondContact O-NH1 3.38Å; I247-R312 HydrophobicContact CG2-CB 4.24Å; C304-R312 VanDerWaalsContact O-CD 3.25Å; C304-R312 WeakPolarHBondContact O-CD 3.19Å; H306-R312 HydrophobicContact CB-CG 4.07Å; H306-R312 PolarHBondContact O-NE 2.99Å; H306-R312 PolarHBondContact O-NH2 3.48Å; H306-R312 VanDerWaalsContact O-NH2 3.14Å; Y307-R312 PolarHBondContact O-NH2 3.22Å; P309-R312 PolarHBondContact O-N 3.49Å |
| 313 | P | 98.3 | Very high | 97.6 | Very high | 14 Ų | 14 | 58 Ų | 58 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 150.1 | 177.6 | 29.3 | -34.8 | 0 | 0 | 0 | 110.7 | I247 A303 D317 L318 M321 | I247-P313 WeakPolarHBondContact CG1-O 3.33Å; I247-P313 HydrophobicContact CG2-CG 4.3Å; A303-P313 HydrophobicContact CB-CG 4.3Å; A303-P313 WeakPolarHBondContact O-CD 3.46Å; P313-D317 HydrophobicContact CB-CB 3.8Å; P313-L318 HydrophobicContact CB-CD2 4.11Å; P313-L318 HydrophobicContact CB-CG 3.99Å; P313-L318 HydrophobicContact CG-CD1 4.32Å; P313-L318 HydrophobicContact CG-CD2 3.52Å; P313-L318 HydrophobicContact CG-CG 3.74Å; P313-M321 HydrophobicContact CB-CE 4.07Å; P313-M321 HydrophobicContact CG-CE 4.46Å |
| 314 | S | 97 | Very high | 97.6 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 168 | 164.4 | 69.9 | 0 | 0 | 0 | 0 | 111 | K316 D317 L318 | S314-K316 PolarHBondContact O-N 2.97Å; S314-K316 PolarHBondContact OG-N 3.26Å; S314-D317 VanDerWaalsContact CB-OD2 3.31Å; S314-D317 WeakPolarHBondContact CB-OD2 2.98Å; S314-D317 PolarHBondContact N-OD2 3.14Å; S314-D317 PolarHBondContact O-N 3.41Å; S314-D317 VanDerWaalsContact O-N 3.15Å; S314-D317 PolarHBondContact OG-N 3.45Å; S314-D317 VanDerWaalsContact OG-N 3.15Å; S314-D317 PolarHBondContact OG-OD2 3.13Å; S314-L318 WeakPolarHBondContact O-CG 3.38Å; S314-L318 PolarHBondContact O-N 3.43Å |
| 315 | T | 97 | Very high | 97.5 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -38.1 | 170.5 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | L143 D144 I247 L318 L319 | L143-T315 HydrophobicContact CB-CG2 3.8Å; D144-T315 HydrophobicContact CB-CG2 4.33Å; D144-T315 VanDerWaalsContact OD1-CB 3.32Å; D144-T315 WeakPolarHBondContact OD1-CB 3.45Å; D144-T315 PolarHBondContact OD1-OG1 3.09Å; I247-T315 HydrophobicContact CD1-CG2 3.86Å; T315-L318 PolarHBondContact O-N 3.32Å; T315-L319 WeakPolarHBondContact O-CB 3.5Å; T315-L319 VanDerWaalsContact O-CG 3.24Å; T315-L319 WeakPolarHBondContact O-CG 3.27Å; T315-L319 PolarHBondContact O-N 2.93Å |
| 316 | K | 96.2 | Very high | 97.5 | Very high | 121 Ų | 121 | 64 Ų | 64 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.8 | -64.4 | -179.9 | -178.2 | 174.7 | 0 | 112.2 | S314 N320 | S314-K316 PolarHBondContact O-N 2.97Å; S314-K316 PolarHBondContact OG-N 3.26Å; K316-N320 PolarHBondContact O-N 2.92Å; K316-N320 PolarHBondContact O-ND2 2.94Å |
| 317 | D | 98.3 | Very high | 97.4 | Very high | 83 Ų | 83 | 60 Ų | 60 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 176.1 | -57.7 | -47.2 | 0 | 0 | 0 | 110.5 | P313 S314 L319 N320 M321 | P313-D317 HydrophobicContact CB-CB 3.8Å; S314-D317 VanDerWaalsContact CB-OD2 3.31Å; S314-D317 WeakPolarHBondContact CB-OD2 2.98Å; S314-D317 PolarHBondContact N-OD2 3.14Å; S314-D317 PolarHBondContact O-N 3.41Å; S314-D317 VanDerWaalsContact O-N 3.15Å; S314-D317 PolarHBondContact OG-N 3.45Å; S314-D317 VanDerWaalsContact OG-N 3.15Å; S314-D317 PolarHBondContact OG-OD2 3.13Å; D317-L319 VanDerWaalsContact C-N 3.34Å; D317-L319 PolarHBondContact O-N 3.32Å; D317-N320 PolarHBondContact O-N 3.45Å; D317-M321 WeakPolarHBondContact O-CG 3.45Å |
| 318 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 176.6 | -73.4 | 175.4 | 0 | 0 | 0 | 112 | V140 I247 L250 I300 P313 S314 T315 N320 M321 I324 | V140-L318 HydrophobicContact CG1-CB 3.85Å; V140-L318 HydrophobicContact CG1-CD1 4.5Å; V140-L318 HydrophobicContact CG2-CB 4.29Å; V140-L318 HydrophobicContact CG2-CD1 4.02Å; I247-L318 HydrophobicContact CD1-CD1 3.97Å; I247-L318 HydrophobicContact CG2-CD1 4.28Å; L250-L318 HydrophobicContact CD2-CD1 4.1Å; I300-L318 HydrophobicContact CD1-CD2 4.3Å; P313-L318 HydrophobicContact CB-CD2 4.11Å; P313-L318 HydrophobicContact CB-CG 3.99Å; P313-L318 HydrophobicContact CG-CD1 4.32Å; P313-L318 HydrophobicContact CG-CD2 3.52Å; P313-L318 HydrophobicContact CG-CG 3.74Å; S314-L318 WeakPolarHBondContact O-CG 3.38Å; S314-L318 PolarHBondContact O-N 3.43Å; T315-L318 PolarHBondContact O-N 3.32Å; L318-N320 PolarHBondContact O-N 2.79Å; L318-N320 VanDerWaalsContact O-N 3.15Å; L318-M321 HydrophobicContact CD2-CE 4.42Å; L318-M321 HydrophobicContact CD2-SD 3.86Å; L318-M321 WeakPolarHBondContact O-CB 3.21Å; L318-M321 PolarHBondContact O-N 3.28Å; L318-I324 HydrophobicContact CB-CG1 4.46Å; L318-I324 WeakPolarHBondContact O-CB 3.05Å; L318-I324 VanDerWaalsContact O-CG1 3.27Å; L318-I324 WeakPolarHBondContact O-CG1 3.44Å; L318-I324 WeakPolarHBondContact O-CG2 3.4Å |
| 319 | L | 98.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 60.3 Ų | 60.3 | 14% | 0.141 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -25 | 176.9 | -73.4 | 170.5 | 0 | 0 | 0 | 112.2 | V140 L141 D144 T315 D317 Q325 L328 | V140-L319 HydrophobicContact CB-CD2 4.42Å; V140-L319 HydrophobicContact CG1-CD2 3.69Å; V140-L319 HydrophobicContact CG1-CG 3.67Å; L141-L319 HydrophobicContact CD2-CD1 4.39Å; L141-L319 HydrophobicContact CD2-CD2 3.68Å; L141-L319 HydrophobicContact CG-CD2 4.11Å; D144-L319 HydrophobicContact CB-CD1 4.02Å; T315-L319 WeakPolarHBondContact O-CB 3.5Å; T315-L319 VanDerWaalsContact O-CG 3.24Å; T315-L319 WeakPolarHBondContact O-CG 3.27Å; T315-L319 PolarHBondContact O-N 2.93Å; D317-L319 VanDerWaalsContact C-N 3.34Å; D317-L319 PolarHBondContact O-N 3.32Å; L319-Q325 WeakPolarHBondContact O-CG 3.43Å; L319-Q325 PolarHBondContact O-NE2 3.31Å; L319-L328 HydrophobicContact CD2-CD1 4.01Å |
| 320 | N | 98 | Very high | 97.2 | Very high | 130 Ų | 130 | 59.7 Ų | 59.7 | 70% | 0.695 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.2 | 176.7 | -67.5 | -44.1 | 0 | 0 | 0 | 113.8 | K316 D317 L318 | K316-N320 PolarHBondContact O-N 2.92Å; K316-N320 PolarHBondContact O-ND2 2.94Å; D317-N320 PolarHBondContact O-N 3.45Å; L318-N320 PolarHBondContact O-N 2.79Å; L318-N320 VanDerWaalsContact O-N 3.15Å |
| 321 | M | 98.3 | Very high | 97 | Very high | 56 Ų | 56 | 54 Ų | 54 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -81.7 | 136.2 | -176.9 | -65 | -175 | 177.6 | 0 | 0 | 112 | I300 P313 D317 L318 W323 I324 Q325 | I300-M321 HydrophobicContact CD1-CB 4.05Å; I300-M321 HydrophobicContact CD1-CG 4.28Å; I300-M321 HydrophobicContact CD1-SD 3.21Å; I300-M321 WeakPolarHBondContact CD1-SD 2.94Å; P313-M321 HydrophobicContact CB-CE 4.07Å; P313-M321 HydrophobicContact CG-CE 4.46Å; D317-M321 WeakPolarHBondContact O-CG 3.45Å; L318-M321 HydrophobicContact CD2-CE 4.42Å; L318-M321 HydrophobicContact CD2-SD 3.86Å; L318-M321 WeakPolarHBondContact O-CB 3.21Å; L318-M321 PolarHBondContact O-N 3.28Å; M321-W323 VanDerWaalsContact C-N 3.32Å; M321-W323 PolarHBondContact O-N 2.98Å; M321-I324 HydrophobicContact CB-CB 4.49Å; M321-I324 HydrophobicContact CB-CG1 4.21Å; M321-I324 PolarHBondContact O-N 3.43Å; M321-I324 VanDerWaalsContact O-N 3.09Å; M321-Q325 PolarHBondContact O-N 2.99Å |
| 322 | P | 98.3 | Very high | 96.7 | Very high | 93 Ų | 93 | 48.2 Ų | 48.2 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -54.6 | -42.2 | -177.3 | -28.7 | 35.3 | 0 | 0 | 0 | 114.4 | I324 Q325 N326 | P322-I324 PolarHBondContact O-N 3.41Å; P322-Q325 PolarHBondContact O-N 3.23Å; P322-N326 WeakPolarHBondContact O-CB 3.48Å; P322-N326 PolarHBondContact O-N 3.29Å |
| 323 | W | 98.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 179 | -168.4 | 89 | 0 | 0 | 0 | 112.1 | E129 C133 V136 L254 E296 M297 I300 M321 N326 G327 | E129-W323 HydrophobicContact CG-CZ2 4.25Å; E129-W323 PolarHBondContact OE1-NE1 2.98Å; C133-W323 HydrophobicContact CB-CD2 4.41Å; C133-W323 HydrophobicContact CB-CH2 3.8Å; C133-W323 HydrophobicContact CB-CZ2 3.47Å; C133-W323 VanDerWaalsContact CB-CZ2 3.47Å; C133-W323 HydrophobicContact CB-CZ3 4.36Å; C133-W323 PolarHBondContact SG-O 2.9Å; V136-W323 HydrophobicContact CB-CH2 4.31Å; V136-W323 HydrophobicContact CB-CZ3 3.95Å; V136-W323 HydrophobicContact CG1-CZ3 3.92Å; V136-W323 HydrophobicContact CG2-CH2 4.35Å; V136-W323 HydrophobicContact CG2-CZ3 4.36Å; L254-W323 HydrophobicContact CD1-CH2 3.73Å; L254-W323 HydrophobicContact CD1-CZ2 4.37Å; L254-W323 HydrophobicContact CD2-CH2 4.22Å; E296-W323 HydrophobicContact CB-CB 4.06Å; E296-W323 HydrophobicContact CB-CG 4.13Å; M297-W323 HydrophobicContact CB-CZ2 4Å; M297-W323 HydrophobicContact CG-CH2 4.43Å; M297-W323 HydrophobicContact CG-CZ2 3.74Å; M297-W323 HydrophobicContact SD-CZ2 4.25Å; I300-W323 HydrophobicContact CG1-CB 4.17Å; I300-W323 HydrophobicContact CG1-CD2 4.22Å; I300-W323 HydrophobicContact CG1-CE3 3.93Å; I300-W323 HydrophobicContact CG1-CG 4.36Å; I300-W323 HydrophobicContact CG2-CE3 4.43Å; I300-W323 HydrophobicContact CG2-CZ3 4.41Å; M321-W323 VanDerWaalsContact C-N 3.32Å; M321-W323 PolarHBondContact O-N 2.98Å; W323-N326 PolarHBondContact O-N 3.04Å; W323-G327 PolarHBondContact O-N 3.08Å |
| 324 | I | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 176.3 | -60.8 | -66.8 | 0 | 0 | 0 | 110.6 | V136 V140 I300 L318 M321 P322 G327 L328 | V136-I324 HydrophobicContact CG1-CD1 3.57Å; V140-I324 HydrophobicContact CG2-CD1 4.19Å; I300-I324 HydrophobicContact CD1-CG1 4.17Å; L318-I324 HydrophobicContact CB-CG1 4.46Å; L318-I324 WeakPolarHBondContact O-CB 3.05Å; L318-I324 VanDerWaalsContact O-CG1 3.27Å; L318-I324 WeakPolarHBondContact O-CG1 3.44Å; L318-I324 WeakPolarHBondContact O-CG2 3.4Å; M321-I324 HydrophobicContact CB-CB 4.49Å; M321-I324 HydrophobicContact CB-CG1 4.21Å; M321-I324 PolarHBondContact O-N 3.43Å; M321-I324 VanDerWaalsContact O-N 3.09Å; P322-I324 PolarHBondContact O-N 3.41Å; I324-G327 WeakPolarHBondContact O-CA 3.48Å; I324-G327 PolarHBondContact O-N 2.94Å; I324-G327 VanDerWaalsContact O-N 3.16Å; I324-L328 HydrophobicContact CG2-CD1 4.46Å; I324-L328 WeakPolarHBondContact O-CG 3.35Å; I324-L328 PolarHBondContact O-N 3.41Å |
| 325 | Q | 98.2 | Very high | 95.4 | Very high | 78 Ų | 78 | 51.9 Ų | 51.9 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.4 | -75.1 | -64.8 | -39.4 | 0 | 0 | 112.5 | L319 M321 P322 G327 L328 N329 | L319-Q325 WeakPolarHBondContact O-CG 3.43Å; L319-Q325 PolarHBondContact O-NE2 3.31Å; M321-Q325 PolarHBondContact O-N 2.99Å; P322-Q325 PolarHBondContact O-N 3.23Å; Q325-G327 VanDerWaalsContact C-N 3.3Å; Q325-G327 PolarHBondContact O-N 3.42Å; Q325-L328 PolarHBondContact O-N 2.92Å; Q325-N329 PolarHBondContact O-N 3.39Å; Q325-N329 PolarHBondContact O-ND2 3.44Å |
| 326 | N | 98.1 | Very high | 95 | Very high | 91 Ų | 91 | 53.8 Ų | 53.8 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 172.7 | -173.8 | 22.7 | 0 | 0 | 0 | 111.1 | P322 W323 N329 T330 | P322-N326 WeakPolarHBondContact O-CB 3.48Å; P322-N326 PolarHBondContact O-N 3.29Å; W323-N326 PolarHBondContact O-N 3.04Å; N326-N329 PolarHBondContact O-N 3.3Å; N326-T330 WeakPolarHBondContact O-CB 3.4Å; N326-T330 PolarHBondContact O-N 2.63Å; N326-T330 PolarHBondContact O-OG1 3.01Å |
| 327 | G | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54 | -56.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C133 R138 W323 I324 Q325 N329 T330 | C133-G327 VanDerWaalsContact O-CA 3.31Å; C133-G327 WeakPolarHBondContact O-CA 3.47Å; C133-G327 WeakPolarHBondContact SG-CA 3.29Å; C133-G327 PolarHBondContact SG-N 3.43Å; R138-G327 PolarHBondContact NH1-O 2.87Å; W323-G327 PolarHBondContact O-N 3.08Å; I324-G327 WeakPolarHBondContact O-CA 3.48Å; I324-G327 PolarHBondContact O-N 2.94Å; I324-G327 VanDerWaalsContact O-N 3.16Å; Q325-G327 VanDerWaalsContact C-N 3.3Å; Q325-G327 PolarHBondContact O-N 3.42Å; G327-N329 VanDerWaalsContact C-N 3.26Å; G327-N329 PolarHBondContact O-N 3.01Å; G327-T330 WeakPolarHBondContact O-CA 3.47Å; G327-T330 WeakPolarHBondContact O-CB 3.4Å; G327-T330 PolarHBondContact O-N 2.77Å |
| 328 | L | 94.2 | Very high | 94.1 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.1 | -38.6 | 178.6 | -70 | 176.1 | 0 | 0 | 0 | 113.4 | G137 R138 L141 L319 I324 Q325 T330 | G137-L328 VanDerWaalsContact C-CD2 3.43Å; G137-L328 VanDerWaalsContact O-CD2 3.28Å; G137-L328 WeakPolarHBondContact O-CD2 3.34Å; R138-L328 PolarHBondContact NH2-O 3.48Å; L141-L328 HydrophobicContact CD1-CD2 3.39Å; L141-L328 HydrophobicContact CG-CD2 3.83Å; L319-L328 HydrophobicContact CD2-CD1 4.01Å; I324-L328 HydrophobicContact CG2-CD1 4.46Å; I324-L328 WeakPolarHBondContact O-CG 3.35Å; I324-L328 PolarHBondContact O-N 3.41Å; Q325-L328 PolarHBondContact O-N 2.92Å; L328-T330 VanDerWaalsContact C-N 3.33Å |
| 329 | N | 94.1 | Very high | 93.5 | Very high | 124 Ų | 124 | 52.8 Ų | 52.8 | 66% | 0.663 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -79 | -14.5 | 177.3 | -67.5 | -43.2 | 0 | 0 | 0 | 113.8 | Q325 N326 G327 | Q325-N329 PolarHBondContact O-N 3.39Å; Q325-N329 PolarHBondContact O-ND2 3.44Å; N326-N329 PolarHBondContact O-N 3.3Å; G327-N329 VanDerWaalsContact C-N 3.26Å; G327-N329 PolarHBondContact O-N 3.01Å |
| 330 | T | 93.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -81.7 | 121.6 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 110 | K130 A134 R138 N326 G327 L328 | K130-T330 HydrophobicContact CG-CG2 4.12Å; A134-T330 HydrophobicContact CB-CG2 3.87Å; R138-T330 VanDerWaalsContact CZ-O 3.29Å; R138-T330 PolarHBondContact NH1-O 3.16Å; R138-T330 VanDerWaalsContact NH1-O 3.08Å; R138-T330 PolarHBondContact NH2-O 3.49Å; N326-T330 WeakPolarHBondContact O-CB 3.4Å; N326-T330 PolarHBondContact O-N 2.63Å; N326-T330 PolarHBondContact O-OG1 3.01Å; G327-T330 WeakPolarHBondContact O-CA 3.47Å; G327-T330 WeakPolarHBondContact O-CB 3.4Å; G327-T330 PolarHBondContact O-N 2.77Å; L328-T330 VanDerWaalsContact C-N 3.33Å |
| 331 | V | 91.2 | Very high | 91.1 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 127.5 | 177.8 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | K175 T333 | K175-V331 HydrophobicContact CD-CG1 4.12Å; K175-V331 HydrophobicContact CG-CG1 3.75Å; V331-T333 HydrophobicContact CG1-CG2 4.25Å |
| 332 | I | 91.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.5 | 169.1 | -51.7 | 173.3 | 0 | 0 | 0 | 107.5 | L131 A134 I135 V176 V178 L337 | L131-I332 HydrophobicContact CD1-CD1 4.26Å; L131-I332 HydrophobicContact CD1-CG1 4.04Å; L131-I332 HydrophobicContact CD1-CG2 3.85Å; A134-I332 HydrophobicContact CB-CD1 4.05Å; A134-I332 HydrophobicContact CB-CG1 3.67Å; I135-I332 HydrophobicContact CG1-CD1 3.8Å; V176-I332 HydrophobicContact CB-CB 4.26Å; V176-I332 HydrophobicContact CB-CG2 4.01Å; V176-I332 PolarHBondContact N-O 3.18Å; V178-I332 HydrophobicContact CG2-CD1 4.1Å; I332-L337 HydrophobicContact CG2-CD1 4.28Å; I332-L337 HydrophobicContact CG2-CD2 4.17Å; I332-L337 HydrophobicContact CG2-CG 4.05Å |
| 333 | T | 89.8 | Confident | 90.4 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 151 | -176.9 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | V331 S335 E336 L337 | V331-T333 HydrophobicContact CG1-CG2 4.25Å; T333-S335 VanDerWaalsContact C-N 3.31Å; T333-S335 PolarHBondContact O-N 2.75Å; T333-S335 PolarHBondContact OG1-OG 3.32Å; T333-S335 VanDerWaalsContact OG1-OG 3.08Å; T333-E336 PolarHBondContact O-N 3Å; T333-E336 WeakPolarHBondContact OG1-CB 3.33Å; T333-E336 PolarHBondContact OG1-N 3.23Å; T333-E336 VanDerWaalsContact OG1-N 3.12Å; T333-L337 PolarHBondContact O-N 2.96Å |
| 334 | T | 87.7 | Confident | 89.9 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 18% | 0.184 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -44 | 171.4 | 41.2 | 0 | 0 | 0 | 0 | 111.5 | Y113 K165 H174 V176 E336 L337 D338 | Y113-T334 HydrophobicContact CE2-CG2 4.17Å; Y113-T334 WeakPolarHBondContact OH-CB 3.33Å; Y113-T334 WeakPolarHBondContact OH-CG2 3.2Å; K165-T334 HydrophobicContact CD-CG2 4.3Å; K165-T334 HydrophobicContact CG-CG2 4.18Å; H174-T334 HydrophobicContact CB-CG2 3.68Å; H174-T334 PolarHBondContact O-OG1 2.76Å; V176-T334 HydrophobicContact CG2-CG2 3.77Å; T334-E336 VanDerWaalsContact C-N 3.29Å; T334-E336 PolarHBondContact O-N 2.82Å; T334-L337 PolarHBondContact O-N 3.47Å; T334-L337 VanDerWaalsContact O-N 3.13Å; T334-D338 WeakPolarHBondContact O-CB 3.45Å; T334-D338 PolarHBondContact O-N 3.23Å |
| 335 | S | 87.5 | Confident | 89.4 | Confident | 78 Ų | 78 | 54.5 Ų | 54.5 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.7 | -36.2 | 175.8 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | T333 S339 | T333-S335 VanDerWaalsContact C-N 3.31Å; T333-S335 PolarHBondContact O-N 2.75Å; T333-S335 PolarHBondContact OG1-OG 3.32Å; T333-S335 VanDerWaalsContact OG1-OG 3.08Å; S335-S339 WeakPolarHBondContact O-CB 3.5Å; S335-S339 PolarHBondContact O-N 3.39Å; S335-S339 VanDerWaalsContact O-N 3.08Å |
| 336 | E | 88.8 | Confident | 88.9 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.1 | -46.8 | 175.7 | -177.7 | 172.3 | -146.7 | 0 | 0 | 110.3 | L131 T333 T334 S339 L340 | L131-E336 HydrophobicContact CD2-CG 4.48Å; T333-E336 PolarHBondContact O-N 3Å; T333-E336 WeakPolarHBondContact OG1-CB 3.33Å; T333-E336 PolarHBondContact OG1-N 3.23Å; T333-E336 VanDerWaalsContact OG1-N 3.12Å; T334-E336 VanDerWaalsContact C-N 3.29Å; T334-E336 PolarHBondContact O-N 2.82Å; E336-S339 PolarHBondContact O-N 3.25Å; E336-S339 PolarHBondContact O-OG 3.17Å; E336-L340 WeakPolarHBondContact O-CG 3.46Å |
| 337 | L | 88.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.9 | -39 | 176.6 | -65.4 | -170.5 | 0 | 0 | 0 | 113.4 | Y113 L131 F163 V176 I332 T333 T334 S339 L340 H341 | Y113-L337 HydrophobicContact CD1-CB 4.13Å; Y113-L337 HydrophobicContact CD1-CD1 4.47Å; Y113-L337 HydrophobicContact CD2-CD1 3.69Å; Y113-L337 HydrophobicContact CE1-CB 4.07Å; Y113-L337 HydrophobicContact CE2-CB 4.47Å; Y113-L337 HydrophobicContact CE2-CD1 4.11Å; Y113-L337 HydrophobicContact CG-CB 4.35Å; Y113-L337 HydrophobicContact CG-CD1 3.88Å; L131-L337 HydrophobicContact CD2-CD2 4.36Å; F163-L337 HydrophobicContact CB-CD1 4.21Å; F163-L337 HydrophobicContact CD1-CD1 3.73Å; F163-L337 HydrophobicContact CD2-CD1 4.31Å; F163-L337 HydrophobicContact CE1-CD1 4.12Å; F163-L337 HydrophobicContact CE1-CD2 4.19Å; F163-L337 HydrophobicContact CG-CD1 3.83Å; F163-L337 HydrophobicContact CZ-CD2 4.15Å; V176-L337 HydrophobicContact CB-CD1 4.04Å; V176-L337 HydrophobicContact CG1-CD1 3.61Å; V176-L337 HydrophobicContact CG2-CD1 3.93Å; I332-L337 HydrophobicContact CG2-CD1 4.28Å; I332-L337 HydrophobicContact CG2-CD2 4.17Å; I332-L337 HydrophobicContact CG2-CG 4.05Å; T333-L337 PolarHBondContact O-N 2.96Å; T334-L337 PolarHBondContact O-N 3.47Å; T334-L337 VanDerWaalsContact O-N 3.13Å; L337-S339 PolarHBondContact O-N 3.18Å; L337-L340 HydrophobicContact CD2-CD1 4.26Å; L337-L340 WeakPolarHBondContact O-CB 3.45Å; L337-L340 PolarHBondContact O-N 3.01Å; L337-H341 WeakPolarHBondContact O-CB 3.47Å; L337-H341 PolarHBondContact O-N 2.86Å |
| 338 | D | 88 | Confident | 87.6 | Confident | 88 Ų | 88 | 54.1 Ų | 54.1 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -34.2 | 176.1 | -64.5 | -26.1 | 0 | 0 | 0 | 110.7 | Y113 T334 L340 H341 | Y113-D338 WeakPolarHBondContact CE1-OD1 3.32Å; Y113-D338 PolarHBondContact OH-OD1 3Å; T334-D338 WeakPolarHBondContact O-CB 3.45Å; T334-D338 PolarHBondContact O-N 3.23Å; D338-L340 PolarHBondContact O-N 3.37Å; D338-H341 WeakPolarHBondContact O-CB 3.47Å; D338-H341 PolarHBondContact O-N 2.97Å |
| 339 | S | 86.4 | Confident | 87.1 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 66% | 0.664 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -15.9 | 176.6 | 77.8 | 0 | 0 | 0 | 0 | 114.4 | S335 E336 L337 | S335-S339 WeakPolarHBondContact O-CB 3.5Å; S335-S339 PolarHBondContact O-N 3.39Å; S335-S339 VanDerWaalsContact O-N 3.08Å; E336-S339 PolarHBondContact O-N 3.25Å; E336-S339 PolarHBondContact O-OG 3.17Å; L337-S339 PolarHBondContact O-N 3.18Å |
| 340 | L | 82.4 | Confident | 86.6 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -4.6 | 176.9 | -61.2 | 178.5 | 0 | 0 | 0 | 112.6 | I119 K123 L127 L131 E336 L337 D338 | I119-L340 HydrophobicContact CG2-CB 3.96Å; I119-L340 HydrophobicContact CG2-CD1 3.88Å; K123-L340 HydrophobicContact CD-CD2 3.87Å; K123-L340 HydrophobicContact CG-CD2 4.47Å; L127-L340 HydrophobicContact CD2-CD1 4.26Å; L131-L340 HydrophobicContact CD2-CD1 3.52Å; E336-L340 WeakPolarHBondContact O-CG 3.46Å; L337-L340 HydrophobicContact CD2-CD1 4.26Å; L337-L340 WeakPolarHBondContact O-CB 3.45Å; L337-L340 PolarHBondContact O-N 3.01Å; D338-L340 PolarHBondContact O-N 3.37Å |
| 341 | H | 63.2 | Low | 85.9 | Confident | 108 Ų | 108 | 52.9 Ų | 52.9 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | trans | -104.3 | 0 | -159.2 | -129.1 | -68.6 | 0 | 0 | 0 | 115.8 | Y113 I119 K122 L337 D338 | Y113-H341 AromaticContact CD1-CD2 3.6Å; Y113-H341 AromaticContact CD1-NE2 3.65Å; I119-H341 WeakPolarHBondContact CD1-CD2 3.46Å; I119-H341 WeakPolarHBondContact CD1-NE2 3.02Å; K122-H341 PolarHBondContact NZ-CE1 2.97Å; L337-H341 WeakPolarHBondContact O-CB 3.47Å; L337-H341 PolarHBondContact O-N 2.86Å; D338-H341 WeakPolarHBondContact O-CB 3.47Å; D338-H341 PolarHBondContact O-N 2.97Å |
Retrieved 341 of 341 residues in 73.9 ms
(Link to these results)