| 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 | 41.1 | Very low | 41.2 | Very low | 249 Ų | 249 | 144.4 Ų | 144.4 | 100% | 1.227 | 87% | 0.867 | S | S | * | * | 0 | 107.1 | 0 | -76.6 | 175.8 | 174.1 | 0 | 0 | 107.2 | |||||
| 2 | A | 43 | Very low | 41 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 84% | 0.835 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -85 | 125.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 3 | C | 37 | Very low | 40.8 | Very low | 121 Ų | 121 | 154 Ų | 154 | 82% | 0.818 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 117.7 | 166.6 | -78.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 4 | S | 42 | Very low | 40.8 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 85% | 0.846 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -94 | 120.9 | 173.5 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 5 | F | 44.9 | Very low | 41 | Very low | 205 Ų | 205 | 151.5 Ų | 151.5 | 90% | 0.899 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 141.9 | 177.6 | -93.3 | -98.8 | 0 | 0 | 0 | 112.1 | ||
| 6 | G | 41.6 | Very low | 41.4 | Very low | 80 Ų | 80 | 149.4 Ų | 149.4 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 141.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 7 | G | 41.3 | Very low | 41.5 | Very low | 84 Ų | 84 | 154.1 Ų | 154.1 | 87% | 0.866 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 128.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 8 | F | 37.9 | Very low | 41.5 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 85% | 0.851 | 85% | 0.852 | S | S | * | * | trans | -102.4 | 115.7 | 169.9 | -158.2 | -98.2 | 0 | 0 | 0 | 108 | L10 | F8-L10 PolarHBondContact O-N 3.29Š| ||
| 9 | L | 39.5 | Very low | 41.3 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 84% | 0.838 | 85% | 0.851 | S | S | * | * | trans | -79.2 | 114.8 | 178.9 | -130.7 | 94.8 | 0 | 0 | 0 | 109.3 | V11 | L9-V11 HydrophobicContact CD2-CG2 4.46Š| ||
| 10 | L | 41.2 | Very low | 41.2 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 78% | 0.775 | 84% | 0.84 | S | S | * | * | trans | -102.1 | 105.1 | 170.2 | -123.4 | 160.9 | 0 | 0 | 0 | 107.6 | F8 R12 | F8-L10 PolarHBondContact O-N 3.29Å; L10-R12 PolarHBondContact O-N 3.29Å | ||
| 11 | V | 43.9 | Very low | 41.3 | Very low | 125 Ų | 125 | 154 Ų | 154 | 76% | 0.758 | 83% | 0.83 | S | S | * | * | trans | -76.1 | 108.3 | 172.5 | 175.5 | 0 | 0 | 0 | 0 | 107.9 | L9 | L9-V11 HydrophobicContact CD2-CG2 4.46Š| ||
| 12 | R | 38.7 | Very low | 41.6 | Very low | 233 Ų | 233 | 153.8 Ų | 153.8 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -80.7 | 124.7 | 170.6 | -101.1 | -177.3 | 169.3 | 172.4 | -2.3 | 109.6 | L10 S14 | L10-R12 PolarHBondContact O-N 3.29Å; R12-S14 PolarHBondContact O-N 2.66Å | ||
| 13 | E | 37.9 | Very low | 41.9 | Very low | 181 Ų | 181 | 153.2 Ų | 153.2 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -66.2 | 124 | 168.9 | -157.2 | 159.6 | -162.7 | 0 | 0 | 110 | ||||
| 14 | S | 41.1 | Very low | 42.2 | Very low | 111 Ų | 111 | 155.8 Ų | 155.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -90.8 | 115.2 | -176.3 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | R12 | R12-S14 PolarHBondContact O-N 2.66Š| ||
| 15 | Q | 44.4 | Very low | 42.5 | Very low | 159 Ų | 159 | 161.5 Ų | 161.5 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 128.3 | 168.8 | -68 | -74 | -31.9 | 0 | 0 | 109.3 | ||
| 16 | P | 46.8 | Very low | 43 | Very low | 118 Ų | 118 | 163 Ų | 163 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 136.5 | 177.8 | 28.5 | -30.3 | 0 | 0 | 0 | 111.9 | ||
| 17 | R | 43.4 | Very low | 43.4 | Very low | 230 Ų | 230 | 166.7 Ų | 166.7 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 130.7 | -176.3 | -68.2 | 179 | 176.6 | -166 | -1.3 | 112.4 | F19 | R17-F19 PolarHBondContact O-N 3.3Š|
| 18 | Q | 41.1 | Very low | 43.7 | Very low | 198 Ų | 198 | 167.9 Ų | 167.9 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -67 | 106.9 | 163.7 | -68.6 | -95 | -19.4 | 0 | 0 | 109.6 | ||||
| 19 | F | 37.5 | Very low | 44 | Very low | 189 Ų | 189 | 163.7 Ų | 163.7 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -91.9 | 115.5 | 175.2 | -138.1 | -93.3 | 0 | 0 | 0 | 110.4 | R17 | R17-F19 PolarHBondContact O-N 3.3Š| ||
| 20 | G | 39.4 | Very low | 44.9 | Very low | 61 Ų | 61 | 164.3 Ų | 164.3 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | -76.7 | 131.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R22 | G20-R22 PolarHBondContact O-N 3.09Š| ||
| 21 | W | 43.5 | Very low | 45.5 | Very low | 166 Ų | 166 | 162.4 Ų | 162.4 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 12.6 | -179.1 | -85.4 | 59.2 | 0 | 0 | 0 | 116.3 | A23 H40 W44 | W21-A23 PolarHBondContact O-N 3Å; W21-H40 AromaticContact CH2-CD2 3.71Å; W21-H40 AromaticContact CH2-CE1 3.84Å; W21-H40 AromaticContact CH2-NE2 2.82Å; W21-H40 WeakPolarHBondContact CH2-NE2 3.26Å; W21-H40 AromaticContact CZ2-NE2 3.8Å; W21-H40 AromaticContact CZ3-CD2 3.95Å; W21-H40 AromaticContact CZ3-CE1 3.9Å; W21-H40 AromaticContact CZ3-NE2 3.1Å; W21-H40 WeakPolarHBondContact CZ3-NE2 3.1Å; W21-W44 AromaticContact CE2-CZ2 3.87Å; W21-W44 HydrophobicContact CH2-CZ2 4.24Å; W21-W44 AromaticContact CH2-NE1 3.77Å; W21-W44 AromaticContact CZ2-CE2 3.88Å; W21-W44 AromaticContact CZ2-CZ2 3.39Å; W21-W44 HydrophobicContact CZ2-CZ2 3.39Å; W21-W44 AromaticContact CZ2-NE1 3.76Å |
| 22 | R | 48 | Very low | 46.1 | Very low | 244 Ų | 244 | 161.2 Ų | 161.2 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -12.9 | -170.2 | -71.9 | -172 | 176.4 | -161 | -0.1 | 115.1 | G20 | G20-R22 PolarHBondContact O-N 3.09Š|
| 23 | A | 49.1 | Very low | 46.8 | Very low | 90 Ų | 90 | 160.6 Ų | 160.6 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -87.9 | -22.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | W21 R25 | W21-A23 PolarHBondContact O-N 3Å; A23-R25 VanDerWaalsContact C-N 3.32Å; A23-R25 PolarHBondContact O-N 3.24Å |
| 24 | F | 42.4 | Very low | 47.8 | Very low | 175 Ų | 175 | 155 Ų | 155 | 77% | 0.768 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -82.1 | -4.2 | -168.2 | -127.2 | -93.6 | 0 | 0 | 0 | 115.1 | R26 | F24-R26 VanDerWaalsContact C-N 3.34Å; F24-R26 PolarHBondContact O-N 3.36Å |
| 25 | R | 49.9 | Very low | 48.4 | Very low | 241 Ų | 241 | 151.6 Ų | 151.6 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -80.9 | 1.1 | -173.3 | -100 | -173.7 | -177.6 | -160.4 | 2 | 116.1 | A23 | A23-R25 VanDerWaalsContact C-N 3.32Å; A23-R25 PolarHBondContact O-N 3.24Å |
| 26 | R | 54.6 | Low | 48.9 | Very low | 237 Ų | 237 | 147.5 Ų | 147.5 | 89% | 0.894 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -104 | 1.8 | -171 | -73.2 | -168.5 | -168.9 | -166.5 | 3.7 | 116.8 | F24 | F24-R26 VanDerWaalsContact C-N 3.34Å; F24-R26 PolarHBondContact O-N 3.36Å |
| 27 | L | 50.4 | Low | 49 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -126.2 | 16.5 | -165.6 | -98 | 159.4 | 0 | 0 | 0 | 117.6 | ||
| 28 | L | 46.7 | Very low | 49.5 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 57% | 0.571 | 70% | 0.702 | S | S | * | * | trans | -132.9 | 97.6 | 179.7 | -80 | 156.5 | 0 | 0 | 0 | 112.3 | L31 I36 | L28-L31 HydrophobicContact CD2-CD1 3.78Å; L28-I36 HydrophobicContact CD1-CD1 4.39Å | ||
| 29 | P | 45.8 | Very low | 50.1 | Low | 106 Ų | 106 | 141 Ų | 141 | 69% | 0.688 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -87.5 | 152 | 148 | 35 | -25.3 | 0 | 0 | 0 | 109 | ||
| 30 | L | 56.8 | Low | 50.4 | Low | 173 Ų | 173 | 136 Ų | 136 | 91% | 0.906 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 69.4 | 48.2 | 170.3 | -53.8 | 168.8 | 0 | 0 | 0 | 116.7 | ||
| 31 | L | 54.5 | Low | 50.8 | Low | 109 Ų | 109 | 135.2 Ų | 135.2 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | trans | -141.7 | 129.5 | 158.8 | -96.5 | 151.8 | 0 | 0 | 0 | 109.8 | L28 R33 I36 | L28-L31 HydrophobicContact CD2-CD1 3.78Å; L31-R33 PolarHBondContact O-N 3.33Å; L31-I36 HydrophobicContact CB-CD1 3.87Å; L31-I36 HydrophobicContact CB-CG1 4.36Å | ||
| 32 | D | 56 | Low | 50.9 | Low | 100 Ų | 100 | 134.7 Ų | 134.7 | 54% | 0.535 | 66% | 0.664 | S | S | . | * | trans | -48.5 | 121.1 | 178 | 178.1 | 9.8 | 0 | 0 | 0 | 110.6 | S34 A35 I36 | D32-S34 VanDerWaalsContact CG-OG 3.25Å; D32-S34 PolarHBondContact O-N 3.34Å; D32-S34 VanDerWaalsContact O-N 3.09Å; D32-S34 WeakPolarHBondContact OD1-CB 3.46Å; D32-S34 PolarHBondContact OD1-N 2.83Å; D32-S34 PolarHBondContact OD1-OG 2.82Å; D32-S34 PolarHBondContact OD2-OG 3.04Å; D32-A35 HydrophobicContact CB-CB 4.45Å; D32-A35 PolarHBondContact O-N 3.05Å; D32-I36 PolarHBondContact O-N 3.34Å | ||
| 33 | R | 54.1 | Low | 50.8 | Low | 219 Ų | 219 | 129 Ų | 129 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -58.4 | -23.4 | -179.9 | -73.6 | -176.7 | 171.4 | -175.3 | -0.5 | 111.9 | L31 | L31-R33 PolarHBondContact O-N 3.33Å |
| 34 | S | 57.7 | Low | 50.3 | Low | 64 Ų | 64 | 131.4 Ų | 131.4 | 45% | 0.448 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.7 | -34.3 | 178.1 | 90.6 | 0 | 0 | 0 | 0 | 112.8 | D32 K38 | D32-S34 VanDerWaalsContact CG-OG 3.25Å; D32-S34 PolarHBondContact O-N 3.34Å; D32-S34 VanDerWaalsContact O-N 3.09Å; D32-S34 WeakPolarHBondContact OD1-CB 3.46Å; D32-S34 PolarHBondContact OD1-N 2.83Å; D32-S34 PolarHBondContact OD1-OG 2.82Å; D32-S34 PolarHBondContact OD2-OG 3.04Å; S34-K38 PolarHBondContact O-N 3.49Å |
| 35 | A | 55.4 | Low | 50.4 | Low | 40 Ų | 40 | 126.4 Ų | 126.4 | 33% | 0.331 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -77.6 | -36.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D32 M37 K38 V39 | D32-A35 HydrophobicContact CB-CB 4.45Å; D32-A35 PolarHBondContact O-N 3.05Å; A35-M37 VanDerWaalsContact C-N 3.31Å; A35-M37 PolarHBondContact O-N 3.49Å; A35-K38 PolarHBondContact O-N 3.07Å; A35-K38 VanDerWaalsContact O-N 3.16Å; A35-V39 PolarHBondContact O-N 3.45Å |
| 36 | I | 53.5 | Low | 50.3 | Low | 72 Ų | 72 | 119.5 Ų | 119.5 | 37% | 0.369 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.8 | -34.7 | 177.4 | -62.7 | 172.2 | 0 | 0 | 0 | 111 | L28 L31 D32 K38 V39 H40 | L28-I36 HydrophobicContact CD1-CD1 4.39Å; L31-I36 HydrophobicContact CB-CD1 3.87Å; L31-I36 HydrophobicContact CB-CG1 4.36Å; D32-I36 PolarHBondContact O-N 3.34Å; I36-K38 VanDerWaalsContact C-N 3.34Å; I36-K38 PolarHBondContact O-N 2.89Å; I36-V39 PolarHBondContact O-N 3.42Å; I36-H40 WeakPolarHBondContact O-CB 3.26Å; I36-H40 PolarHBondContact O-N 3.16Å |
| 37 | M | 49.9 | Very low | 49.9 | Very low | 153 Ų | 153 | 113.1 Ų | 113.1 | 75% | 0.754 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.4 | -31.5 | 174.4 | -75.6 | -129.7 | -123.2 | 0 | 0 | 113 | A35 G41 | A35-M37 VanDerWaalsContact C-N 3.31Å; A35-M37 PolarHBondContact O-N 3.49Å; M37-G41 PolarHBondContact O-N 2.94Å |
| 38 | K | 53 | Low | 49.8 | Very low | 158 Ų | 158 | 108.9 Ų | 108.9 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.4 | -38.6 | 175.3 | -74 | 179.1 | 178.6 | 177 | 0 | 112.3 | S34 A35 I36 G41 M42 | S34-K38 PolarHBondContact O-N 3.49Å; A35-K38 PolarHBondContact O-N 3.07Å; A35-K38 VanDerWaalsContact O-N 3.16Å; I36-K38 VanDerWaalsContact C-N 3.34Å; I36-K38 PolarHBondContact O-N 2.89Å; K38-G41 PolarHBondContact O-N 3.29Å; K38-M42 WeakPolarHBondContact O-CB 3.18Å; K38-M42 PolarHBondContact O-N 3.47Å |
| 39 | V | 54.9 | Low | 50 | Low | 98 Ų | 98 | 111 Ų | 111 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.6 | -33.4 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | A35 I36 M42 L43 | A35-V39 PolarHBondContact O-N 3.45Å; I36-V39 PolarHBondContact O-N 3.42Å; V39-M42 PolarHBondContact O-N 2.84Å; V39-L43 WeakPolarHBondContact O-CB 3.49Å; V39-L43 PolarHBondContact O-N 2.99Å |
| 40 | H | 43.6 | Very low | 50.4 | Low | 84 Ų | 84 | 113.6 Ų | 113.6 | 39% | 0.389 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.8 | -34.6 | 173.1 | -164.6 | -102 | 0 | 0 | 0 | 112.5 | W21 I36 W44 | W21-H40 AromaticContact CH2-CD2 3.71Å; W21-H40 AromaticContact CH2-CE1 3.84Å; W21-H40 AromaticContact CH2-NE2 2.82Å; W21-H40 WeakPolarHBondContact CH2-NE2 3.26Å; W21-H40 AromaticContact CZ2-NE2 3.8Å; W21-H40 AromaticContact CZ3-CD2 3.95Å; W21-H40 AromaticContact CZ3-CE1 3.9Å; W21-H40 AromaticContact CZ3-NE2 3.1Å; W21-H40 WeakPolarHBondContact CZ3-NE2 3.1Å; I36-H40 WeakPolarHBondContact O-CB 3.26Å; I36-H40 PolarHBondContact O-N 3.16Å; H40-W44 AromaticContact CD2-CD1 3.77Å; H40-W44 AromaticContact CD2-NE1 3.68Å; H40-W44 AromaticContact CE1-CD1 3.52Å; H40-W44 AromaticContact CE1-NE1 3.29Å; H40-W44 PolarHBondContact CE1-NE1 2.93Å; H40-W44 VanDerWaalsContact CE1-NE1 3.29Å; H40-W44 AromaticContact ND1-CD1 3.92Å; H40-W44 AromaticContact NE2-CD1 3.41Å; H40-W44 AromaticContact NE2-NE1 2.94Å; H40-W44 PolarHBondContact NE2-NE1 3.42Å; H40-W44 WeakPolarHBondContact O-CB 3.25Å; H40-W44 VanDerWaalsContact O-CD1 3.22Å; H40-W44 PolarHBondContact O-N 2.87Å |
| 41 | G | 47.1 | Very low | 50.1 | Low | 46 Ų | 46 | 110.7 Ų | 110.7 | 47% | 0.474 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68 | -34.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M37 K38 A45 | M37-G41 PolarHBondContact O-N 2.94Å; K38-G41 PolarHBondContact O-N 3.29Å; G41-A45 WeakPolarHBondContact O-CB 2.82Å; G41-A45 PolarHBondContact O-N 3.36Å |
| 42 | M | 44.8 | Very low | 49.8 | Very low | 154 Ų | 154 | 112.8 Ų | 112.8 | 76% | 0.759 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.6 | -30.4 | -179.5 | -101 | 166.1 | 158 | 0 | 0 | 114.3 | K38 V39 | K38-M42 WeakPolarHBondContact O-CB 3.18Å; K38-M42 PolarHBondContact O-N 3.47Å; V39-M42 PolarHBondContact O-N 2.84Å |
| 43 | L | 45.9 | Very low | 49.5 | Very low | 124 Ų | 124 | 112.7 Ų | 112.7 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -80 | -25.4 | 177 | -145.5 | 84.6 | 0 | 0 | 0 | 112.6 | V39 | V39-L43 WeakPolarHBondContact O-CB 3.49Å; V39-L43 PolarHBondContact O-N 2.99Å |
| 44 | W | 39.7 | Very low | 49.5 | Very low | 141 Ų | 141 | 111.4 Ų | 111.4 | 53% | 0.534 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -85.2 | -15.9 | 173.4 | -80 | 85.6 | 0 | 0 | 0 | 113.7 | W21 H40 S46 S48 | W21-W44 AromaticContact CE2-CZ2 3.87Å; W21-W44 HydrophobicContact CH2-CZ2 4.24Å; W21-W44 AromaticContact CH2-NE1 3.77Å; W21-W44 AromaticContact CZ2-CE2 3.88Å; W21-W44 AromaticContact CZ2-CZ2 3.39Å; W21-W44 HydrophobicContact CZ2-CZ2 3.39Å; W21-W44 AromaticContact CZ2-NE1 3.76Å; H40-W44 AromaticContact CD2-CD1 3.77Å; H40-W44 AromaticContact CD2-NE1 3.68Å; H40-W44 AromaticContact CE1-CD1 3.52Å; H40-W44 AromaticContact CE1-NE1 3.29Å; H40-W44 PolarHBondContact CE1-NE1 2.93Å; H40-W44 VanDerWaalsContact CE1-NE1 3.29Å; H40-W44 AromaticContact ND1-CD1 3.92Å; H40-W44 AromaticContact NE2-CD1 3.41Å; H40-W44 AromaticContact NE2-NE1 2.94Å; H40-W44 PolarHBondContact NE2-NE1 3.42Å; H40-W44 WeakPolarHBondContact O-CB 3.25Å; H40-W44 VanDerWaalsContact O-CD1 3.22Å; H40-W44 PolarHBondContact O-N 2.87Å; W44-S46 VanDerWaalsContact C-N 3.3Å; W44-S48 PolarHBondContact O-N 2.94Å |
| 45 | A | 43.8 | Very low | 49.3 | Very low | 71 Ų | 71 | 113.5 Ų | 113.5 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | G41 S48 | G41-A45 WeakPolarHBondContact O-CB 2.82Å; G41-A45 PolarHBondContact O-N 3.36Å; A45-S48 PolarHBondContact O-OG 3.04Å |
| 46 | S | 47.6 | Very low | 49.2 | Very low | 95 Ų | 95 | 115 Ų | 115 | 66% | 0.664 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 3.3 | 174.8 | 89.7 | 0 | 0 | 0 | 0 | 113.7 | W44 | W44-S46 VanDerWaalsContact C-N 3.3Š|
| 47 | T | 47.1 | Very low | 49 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 63% | 0.632 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -134 | 13.3 | 175.8 | -7.3 | 0 | 0 | 0 | 0 | 113 | N49 | T47-N49 VanDerWaalsContact C-N 3.32Å; T47-N49 PolarHBondContact O-N 3.36Å |
| 48 | S | 47.8 | Very low | 49.3 | Very low | 67 Ų | 67 | 115 Ų | 115 | 47% | 0.469 | 63% | 0.633 | S | S | . | * | trans | -67.3 | 99.9 | 154.8 | 45.4 | 0 | 0 | 0 | 0 | 106.7 | W44 A45 E50 | W44-S48 PolarHBondContact O-N 2.94Å; A45-S48 PolarHBondContact O-OG 3.04Å; S48-E50 PolarHBondContact O-N 2.89Å | ||
| 49 | N | 51.5 | Low | 49.4 | Very low | 155 Ų | 155 | 115 Ų | 115 | 83% | 0.829 | 64% | 0.641 | S | S | * | * | trans | -56.8 | 73.1 | 143.8 | -67.4 | -32.8 | 0 | 0 | 0 | 106.2 | T47 P51 | T47-N49 VanDerWaalsContact C-N 3.32Å; T47-N49 PolarHBondContact O-N 3.36Å; N49-P51 VanDerWaalsContact O-CD 3.29Å; N49-P51 WeakPolarHBondContact O-CD 3.5Å; N49-P51 VanDerWaalsContact O-N 3.11Å | ||
| 50 | E | 53 | Low | 49.4 | Very low | 159 Ų | 159 | 117.7 Ų | 117.7 | 74% | 0.743 | 65% | 0.651 | S | S | * | * | trans | -53.6 | 116.2 | 149.4 | -74.2 | -166.2 | 153.3 | 0 | 0 | 102.5 | S48 L52 | S48-E50 PolarHBondContact O-N 2.89Å; E50-L52 PolarHBondContact O-N 2.83Å | ||
| 51 | P | 50.8 | Low | 50.3 | Low | 113 Ų | 113 | 120.1 Ų | 120.1 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | trans | -52.9 | 121.5 | 164.3 | 25.2 | -29.4 | 0 | 0 | 0 | 102.4 | N49 S53 | N49-P51 VanDerWaalsContact O-CD 3.29Å; N49-P51 WeakPolarHBondContact O-CD 3.5Å; N49-P51 VanDerWaalsContact O-N 3.11Å; P51-S53 PolarHBondContact O-N 3.25Å | ||
| 52 | L | 48.1 | Very low | 50.8 | Low | 152 Ų | 152 | 123 Ų | 123 | 80% | 0.796 | 67% | 0.673 | S | S | * | * | trans | -42.8 | 105.5 | 160.1 | -78.6 | 168.5 | 0 | 0 | 0 | 102.6 | E50 Y54 | E50-L52 PolarHBondContact O-N 2.83Å; L52-Y54 PolarHBondContact O-N 2.86Å | ||
| 53 | S | 49.6 | Very low | 51.6 | Low | 98 Ų | 98 | 125.5 Ų | 125.5 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | trans | -62.7 | 91 | 161.5 | 55.4 | 0 | 0 | 0 | 0 | 99.4 | P51 V55 | P51-S53 PolarHBondContact O-N 3.25Å; S53-V55 PolarHBondContact O-N 3.31Å | ||
| 54 | Y | 55 | Low | 52.3 | Low | 192 Ų | 192 | 124.8 Ų | 124.8 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | trans | -52.6 | 94.7 | 151.4 | -121.1 | -92.3 | 0 | 0 | 0 | 100.2 | L52 V56 | L52-Y54 PolarHBondContact O-N 2.86Å; Y54-V56 WeakPolarHBondContact O-CG2 3.22Å; Y54-V56 PolarHBondContact O-N 3.3Å | ||
| 55 | V | 53.8 | Low | 53.9 | Low | 109 Ų | 109 | 124.5 Ų | 124.5 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | trans | -56.9 | 94.3 | 153.5 | 179.4 | 0 | 0 | 0 | 0 | 99.6 | S53 S57 | S53-V55 PolarHBondContact O-N 3.31Å; V55-S57 PolarHBondContact O-N 2.87Å; V55-S57 PolarHBondContact O-OG 3.35Å | ||
| 56 | V | 53.9 | Low | 55.5 | Low | 71 Ų | 71 | 132.5 Ų | 132.5 | 43% | 0.43 | 71% | 0.709 | S | S | . | * | trans | -62.8 | 98.5 | 174.6 | 178.9 | 0 | 0 | 0 | 0 | 101.4 | Y54 E58 | Y54-V56 WeakPolarHBondContact O-CG2 3.22Å; Y54-V56 PolarHBondContact O-N 3.3Å; V56-E58 HydrophobicContact CG1-CB 3.61Å; V56-E58 HydrophobicContact CG1-CG 3.26Å; V56-E58 WeakPolarHBondContact CG1-OE1 3.49Å; V56-E58 WeakPolarHBondContact CG1-OE2 3.47Å; V56-E58 PolarHBondContact O-N 2.81Å | ||
| 57 | S | 49.2 | Very low | 57.1 | Low | 80 Ų | 80 | 133.1 Ų | 133.1 | 56% | 0.559 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -65.9 | 28.7 | 175.3 | -46.4 | 0 | 0 | 0 | 0 | 111 | V55 D59 L60 | V55-S57 PolarHBondContact O-N 2.87Å; V55-S57 PolarHBondContact O-OG 3.35Å; S57-D59 PolarHBondContact O-N 2.72Å; S57-L60 PolarHBondContact O-N 2.86Å |
| 58 | E | 55.1 | Low | 58.9 | Low | 144 Ų | 144 | 136.5 Ų | 136.5 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -64.2 | -23 | 173 | -83.6 | 167.2 | -169.2 | 0 | 0 | 110.6 | V56 L60 Q61 | V56-E58 HydrophobicContact CG1-CB 3.61Å; V56-E58 HydrophobicContact CG1-CG 3.26Å; V56-E58 WeakPolarHBondContact CG1-OE1 3.49Å; V56-E58 WeakPolarHBondContact CG1-OE2 3.47Å; V56-E58 PolarHBondContact O-N 2.81Å; E58-L60 PolarHBondContact O-N 2.54Å; E58-Q61 PolarHBondContact O-N 2.83Å |
| 59 | D | 55.5 | Low | 60.8 | Low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -74 | -7.3 | 175.4 | -67.3 | -20 | 0 | 0 | 0 | 113.9 | S57 | S57-D59 PolarHBondContact O-N 2.72Š|
| 60 | L | 55.6 | Low | 62.5 | Low | 154 Ų | 154 | 138.2 Ų | 138.2 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -114.4 | 6 | 178.2 | -83.8 | 164.5 | 0 | 0 | 0 | 114.1 | S57 E58 | S57-L60 PolarHBondContact O-N 2.86Å; E58-L60 PolarHBondContact O-N 2.54Å |
| 61 | Q | 61.1 | Low | 64.3 | Low | 136 Ų | 136 | 137.1 Ų | 137.1 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -67.2 | 133.7 | 162.2 | -61.8 | -133.4 | -10.1 | 0 | 0 | 107.7 | E58 K63 | E58-Q61 PolarHBondContact O-N 2.83Å; Q61-K63 PolarHBondContact O-N 2.8Å |
| 62 | P | 58.9 | Low | 66.1 | Low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | trans | -50.3 | 137.5 | 171.3 | 23.9 | -32.5 | 0 | 0 | 0 | 106.9 | T64 | P62-T64 PolarHBondContact O-N 2.88Å; P62-T64 PolarHBondContact O-OG1 2.73Å | ||
| 63 | K | 60 | Low | 68.1 | Low | 207 Ų | 207 | 133.7 Ų | 133.7 | 90% | 0.9 | 73% | 0.728 | S | S | * | * | trans | -55.6 | 86.5 | 174 | -81.3 | 177.7 | 178.1 | 173.5 | 0 | 107.8 | Q61 V65 | Q61-K63 PolarHBondContact O-N 2.8Å; K63-V65 PolarHBondContact O-N 3.37Å | ||
| 64 | T | 61.9 | Low | 70.2 | Confident | 108 Ų | 108 | 136.6 Ų | 136.6 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | trans | -59.9 | 118.5 | 173.3 | -59.1 | 0 | 0 | 0 | 0 | 104 | P62 R66 | P62-T64 PolarHBondContact O-N 2.88Å; P62-T64 PolarHBondContact O-OG1 2.73Å; T64-R66 PolarHBondContact O-N 3.44Å | ||
| 65 | V | 73.4 | Confident | 71.9 | Confident | 136 Ų | 136 | 131.8 Ų | 131.8 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -54.1 | 111.3 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | K63 S67 | K63-V65 PolarHBondContact O-N 3.37Å; V65-S67 PolarHBondContact O-N 3Å; V65-S67 VanDerWaalsContact O-N 3.14Å | ||
| 66 | R | 75.9 | Confident | 73.9 | Confident | 238 Ų | 238 | 132.7 Ų | 132.7 | 90% | 0.898 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 121.2 | 176.4 | -69.8 | -176.9 | 174.4 | 176.2 | -2.1 | 106.3 | T64 | T64-R66 PolarHBondContact O-N 3.44Š|
| 67 | S | 82.1 | Confident | 75.8 | Confident | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59 | 141.3 | 170.8 | 53.3 | 0 | 0 | 0 | 0 | 109 | V65 | V65-S67 PolarHBondContact O-N 3Å; V65-S67 VanDerWaalsContact O-N 3.14Å |
| 68 | E | 85.3 | Confident | 78 | Confident | 175 Ų | 175 | 136.9 Ų | 136.9 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 132.6 | 174.9 | -64.3 | -175 | 169 | 0 | 0 | 109.6 | V70 | E68-V70 PolarHBondContact O-N 3.04Š|
| 69 | P | 86.8 | Confident | 79.9 | Confident | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 125.3 | 179.4 | 26.4 | -32.5 | 0 | 0 | 0 | 110 | V71 | P69-V71 PolarHBondContact O-N 3.35Š|
| 70 | V | 88.3 | Confident | 81.8 | Confident | 141 Ų | 141 | 131 Ų | 131 | 86% | 0.855 | 68% | 0.68 | S | S | * | * | trans | -81.4 | 113.3 | 171.8 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | E68 S72 | E68-V70 PolarHBondContact O-N 3.04Å; V70-S72 PolarHBondContact O-N 3.39Å | ||
| 71 | V | 89.5 | Confident | 83.7 | Confident | 135 Ų | 135 | 131.8 Ų | 131.8 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -87.6 | 107.8 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | P69 | P69-V71 PolarHBondContact O-N 3.35Š| ||
| 72 | S | 89 | Confident | 85.3 | Confident | 72 Ų | 72 | 132.2 Ų | 132.2 | 50% | 0.503 | 68% | 0.679 | S | S | . | * | trans | -99.9 | 138.7 | 172.1 | 65.6 | 0 | 0 | 0 | 0 | 111.1 | V70 | V70-S72 PolarHBondContact O-N 3.39Š| ||
| 73 | T | 91.1 | Very high | 87.1 | Confident | 121 Ų | 121 | 132.1 Ų | 132.1 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -96.2 | -23.8 | 178.1 | -24.2 | 0 | 0 | 0 | 0 | 112.2 | D75 Y76 | T73-D75 VanDerWaalsContact C-N 3.33Å; T73-D75 PolarHBondContact O-N 2.89Å; T73-Y76 VanDerWaalsContact O-CB 3.31Å; T73-Y76 WeakPolarHBondContact O-CB 3.23Å; T73-Y76 PolarHBondContact O-N 3.13Å |
| 74 | E | 92 | Very high | 88.9 | Confident | 160 Ų | 160 | 127.8 Ų | 127.8 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -33.9 | -171.6 | -61.8 | -175.6 | -177.3 | 0 | 0 | 113.8 | Y76 K77 | E74-Y76 VanDerWaalsContact C-N 3.3Å; E74-K77 WeakPolarHBondContact O-CD 3.29Å; E74-K77 WeakPolarHBondContact O-CG 3.35Å |
| 75 | D | 92.5 | Very high | 90.4 | Very high | 91 Ų | 91 | 130.9 Ų | 130.9 | 49% | 0.487 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -9.3 | -178.5 | -67.1 | -40.4 | 0 | 0 | 0 | 113 | T73 K77 W78 | T73-D75 VanDerWaalsContact C-N 3.33Å; T73-D75 PolarHBondContact O-N 2.89Å; D75-K77 PolarHBondContact O-N 3.31Å; D75-W78 WeakPolarHBondContact O-CB 3.37Å; D75-W78 VanDerWaalsContact O-CD1 3.25Å; D75-W78 PolarHBondContact O-N 3.02Å |
| 76 | Y | 94.3 | Very high | 91.4 | Very high | 128 Ų | 128 | 130.2 Ų | 130.2 | 50% | 0.502 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -63.6 | -24.3 | 179.6 | -161.5 | -97.6 | 0 | 0 | 0 | 112.6 | T73 E74 W78 V79 E80 | T73-Y76 VanDerWaalsContact O-CB 3.31Å; T73-Y76 WeakPolarHBondContact O-CB 3.23Å; T73-Y76 PolarHBondContact O-N 3.13Å; E74-Y76 VanDerWaalsContact C-N 3.3Å; Y76-W78 PolarHBondContact O-N 3.05Å; Y76-V79 HydrophobicContact CD2-CB 4.2Å; Y76-V79 HydrophobicContact CD2-CG2 4.19Å; Y76-V79 HydrophobicContact CE2-CB 4.19Å; Y76-V79 HydrophobicContact CE2-CG1 4.11Å; Y76-V79 HydrophobicContact CE2-CG2 4.42Å; Y76-V79 HydrophobicContact CG-CB 4.47Å; Y76-V79 WeakPolarHBondContact O-CA 3.27Å; Y76-V79 VanDerWaalsContact O-CB 3.31Å; Y76-V79 WeakPolarHBondContact O-CB 2.95Å; Y76-V79 PolarHBondContact O-N 3.35Å; Y76-E80 HydrophobicContact CD1-CG 3.93Å; Y76-E80 HydrophobicContact CE1-CG 4.05Å; Y76-E80 PolarHBondContact O-N 2.8Å |
| 77 | K | 94.6 | Very high | 92.3 | Very high | 98 Ų | 98 | 125.7 Ų | 125.7 | 43% | 0.426 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -54.3 | -27 | 171.8 | 72.3 | -169.1 | 173.7 | -161.1 | 0 | 113.6 | E74 D75 R81 | E74-K77 WeakPolarHBondContact O-CD 3.29Å; E74-K77 WeakPolarHBondContact O-CG 3.35Å; D75-K77 PolarHBondContact O-N 3.31Å; K77-R81 WeakPolarHBondContact O-CG 3.34Å |
| 78 | W | 94.9 | Very high | 93 | Very high | 140 Ų | 140 | 123.3 Ų | 123.3 | 53% | 0.53 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -78 | -31.3 | 176.6 | -58.8 | 112.7 | 0 | 0 | 0 | 111.6 | D75 Y76 | D75-W78 WeakPolarHBondContact O-CB 3.37Å; D75-W78 VanDerWaalsContact O-CD1 3.25Å; D75-W78 PolarHBondContact O-N 3.02Å; Y76-W78 PolarHBondContact O-N 3.05Å |
| 79 | V | 94.9 | Very high | 93.4 | Very high | 63 Ų | 63 | 119 Ų | 119 | 38% | 0.382 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.4 | -41.3 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | Y76 R81 L82 L83 | Y76-V79 HydrophobicContact CD2-CB 4.2Å; Y76-V79 HydrophobicContact CD2-CG2 4.19Å; Y76-V79 HydrophobicContact CE2-CB 4.19Å; Y76-V79 HydrophobicContact CE2-CG1 4.11Å; Y76-V79 HydrophobicContact CE2-CG2 4.42Å; Y76-V79 HydrophobicContact CG-CB 4.47Å; Y76-V79 WeakPolarHBondContact O-CA 3.27Å; Y76-V79 VanDerWaalsContact O-CB 3.31Å; Y76-V79 WeakPolarHBondContact O-CB 2.95Å; Y76-V79 PolarHBondContact O-N 3.35Å; V79-R81 VanDerWaalsContact C-N 3.26Å; V79-R81 PolarHBondContact O-N 2.88Å; V79-L82 WeakPolarHBondContact O-CB 3.48Å; V79-L82 PolarHBondContact O-N 2.83Å; V79-L83 PolarHBondContact O-N 2.76Å |
| 80 | E | 95.3 | Very high | 93.8 | Very high | 117 Ų | 117 | 120.3 Ų | 120.3 | 55% | 0.547 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -56.6 | -37.7 | 178.9 | -70.6 | 180 | 176.4 | 0 | 0 | 113.1 | Y76 L82 L83 | Y76-E80 HydrophobicContact CD1-CG 3.93Å; Y76-E80 HydrophobicContact CE1-CG 4.05Å; Y76-E80 PolarHBondContact O-N 2.8Å; E80-L82 PolarHBondContact O-N 2.87Å; E80-L83 WeakPolarHBondContact O-CB 3.48Å; E80-L83 PolarHBondContact O-N 2.8Å |
| 81 | R | 95 | Very high | 94 | Very high | 170 Ų | 170 | 116 Ų | 116 | 64% | 0.642 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -21.6 | 178.2 | -66.1 | 173.2 | -171.5 | -171.2 | 2.5 | 113.5 | K77 V79 | K77-R81 WeakPolarHBondContact O-CG 3.34Å; V79-R81 VanDerWaalsContact C-N 3.26Å; V79-R81 PolarHBondContact O-N 2.88Å |
| 82 | L | 96.5 | Very high | 94.2 | Very high | 146 Ų | 146 | 113.5 Ų | 113.5 | 76% | 0.764 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -15.2 | 178.6 | -59.3 | 174.6 | 0 | 0 | 0 | 112.1 | V79 E80 | V79-L82 WeakPolarHBondContact O-CB 3.48Å; V79-L82 PolarHBondContact O-N 2.83Å; E80-L82 PolarHBondContact O-N 2.87Å |
| 83 | L | 96.1 | Very high | 94.3 | Very high | 103 Ų | 103 | 118.5 Ų | 118.5 | 54% | 0.539 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -67.5 | 135.7 | 178 | -61.8 | 177.6 | 0 | 0 | 0 | 110.3 | V79 E80 | V79-L83 PolarHBondContact O-N 2.76Å; E80-L83 WeakPolarHBondContact O-CB 3.48Å; E80-L83 PolarHBondContact O-N 2.8Å |
| 84 | P | 96.7 | Very high | 94.4 | Very high | 117 Ų | 117 | 116.8 Ų | 116.8 | 76% | 0.76 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 142.4 | 178.4 | 28.9 | -34.4 | 0 | 0 | 0 | 110.8 | ||
| 85 | K | 94.5 | Very high | 94.5 | Very high | 172 Ų | 172 | 116.2 Ų | 116.2 | 75% | 0.748 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 127.4 | 172.3 | -64.2 | -177.7 | -178.8 | -179 | 0 | 109.4 | L87 | K85-L87 VanDerWaalsContact C-N 3.33Š|
| 86 | P | 94.3 | Very high | 94.6 | Very high | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -73 | -28.7 | -178.6 | 28.1 | -34.3 | 0 | 0 | 0 | 112.5 | ||
| 87 | L | 95.3 | Very high | 94.6 | Very high | 143 Ų | 143 | 120.6 Ų | 120.6 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -108.4 | 147.6 | -179 | -60 | 178.3 | 0 | 0 | 0 | 110.4 | K85 | K85-L87 VanDerWaalsContact C-N 3.33Š|
| 88 | I | 95.2 | Very high | 94.6 | Very high | 57 Ų | 57 | 119.8 Ų | 119.8 | 29% | 0.292 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 131.4 | 172.1 | -54.8 | 163.6 | 0 | 0 | 0 | 107 | R121 F122 | I88-R121 HydrophobicContact CD1-CB 3.58Å; I88-R121 HydrophobicContact CD1-CG 3.78Å; I88-R121 WeakPolarHBondContact CD1-O 3.42Å; I88-F122 HydrophobicContact CD1-CD1 4.48Å; I88-F122 HydrophobicContact CD1-CE1 4.42Å |
| 89 | P | 95.2 | Very high | 94.6 | Very high | 84 Ų | 84 | 113.8 Ų | 113.8 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 146.8 | 177.9 | 29.2 | -35.4 | 0 | 0 | 0 | 110.7 | ||
| 90 | D | 93.8 | Very high | 94.6 | Very high | 145 Ų | 145 | 117.9 Ų | 117.9 | 78% | 0.775 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 156 | 168.9 | -63.8 | -42.8 | 0 | 0 | 0 | 111 | ||
| 91 | V | 93.3 | Very high | 94.5 | Very high | 50 Ų | 50 | 117.3 Ų | 117.3 | 30% | 0.303 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 128 | -179.4 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | W103 H123 | V91-W103 HydrophobicContact CB-CH2 4.22Å; V91-W103 HydrophobicContact CG1-CE3 4.39Å; V91-W103 HydrophobicContact CG1-CH2 3.53Å; V91-W103 HydrophobicContact CG1-CZ2 4.14Å; V91-W103 HydrophobicContact CG1-CZ3 3.67Å; V91-W103 HydrophobicContact CG2-CH2 4.13Å; V91-W103 HydrophobicContact CG2-CZ2 4.1Å; V91-H123 HydrophobicContact CG2-CB 3.86Å; V91-H123 WeakPolarHBondContact CG2-CD2 3.29Å |
| 92 | P | 93.3 | Very high | 94.5 | Very high | 84 Ų | 84 | 111.5 Ų | 111.5 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 142.7 | 174.7 | 26.7 | -34.3 | 0 | 0 | 0 | 111.2 | H94 | P92-H94 PolarHBondContact O-N 2.92Š|
| 93 | L | 92.4 | Very high | 94.4 | Very high | 176 Ų | 176 | 106.6 Ų | 106.6 | 92% | 0.921 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 127.8 | 175.7 | -61 | 176.4 | 0 | 0 | 0 | 109.8 | ||
| 94 | H | 93.3 | Very high | 94.4 | Very high | 86 Ų | 86 | 104.8 Ų | 104.8 | 40% | 0.398 | 59% | 0.585 | S | S | . | * | trans | -116.2 | 144.3 | 177 | -63.4 | -56 | 0 | 0 | 0 | 110.6 | P92 F97 T99 | P92-H94 PolarHBondContact O-N 2.92Å; H94-F97 HydrophobicContact CB-CE1 3.84Å; H94-F97 HydrophobicContact CB-CZ 4.02Å; H94-T99 VanDerWaalsContact CD2-CG2 3.41Å; H94-T99 WeakPolarHBondContact CD2-CG2 3.5Å | ||
| 95 | T | 93.9 | Very high | 94.2 | Very high | 147 Ų | 147 | 101.1 Ų | 101.1 | 90% | 0.902 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -75.7 | -25.5 | 179.8 | -43.5 | 0 | 0 | 0 | 0 | 113 | ||
| 96 | R | 94.6 | Very high | 94.2 | Very high | 214 Ų | 214 | 95.2 Ų | 95.2 | 81% | 0.808 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -132.9 | 139.7 | -176.8 | -63.5 | -177 | -176.8 | 175.3 | 1 | 110.2 | ||
| 97 | F | 92.7 | Very high | 94.1 | Very high | 97 Ų | 97 | 95.8 Ų | 95.8 | 43% | 0.425 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -124.8 | 149.1 | 173.6 | -60.9 | -70.2 | 0 | 0 | 0 | 109.4 | H94 T99 W103 P105 | H94-F97 HydrophobicContact CB-CE1 3.84Å; H94-F97 HydrophobicContact CB-CZ 4.02Å; F97-T99 HydrophobicContact CD1-CG2 4.38Å; F97-W103 HydrophobicContact CE1-CE3 4.4Å; F97-W103 AromaticContact CE1-CZ3 3.99Å; F97-W103 HydrophobicContact CE1-CZ3 3.99Å; F97-P105 HydrophobicContact CD1-CG 4.03Å; F97-P105 HydrophobicContact CD2-CG 4.1Å; F97-P105 VanDerWaalsContact CE1-CD 3.47Å; F97-P105 HydrophobicContact CE1-CG 3.81Å; F97-P105 HydrophobicContact CE2-CG 3.89Å; F97-P105 HydrophobicContact CG-CG 4.16Å; F97-P105 HydrophobicContact CZ-CG 3.73Å |
| 98 | P | 94.9 | Very high | 93.8 | Very high | 81 Ų | 81 | 96.8 Ų | 96.8 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | S | Bend | cis | -65 | 157.6 | -5.6 | 28.7 | -35.5 | 0 | 0 | 0 | 113 | W103 I104 | P98-W103 WeakPolarHBondContact CA-O 3.49Å; P98-I104 HydrophobicContact CB-CD1 4.09Å; P98-I104 HydrophobicContact CB-CG1 3.72Å |
| 99 | T | 94.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 102.4 Ų | 102.4 | 9% | 0.086 | 55% | 0.554 | C | S | . | * | trans | -65.8 | 166 | 168.9 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | H94 F97 S101 G102 W103 | H94-T99 VanDerWaalsContact CD2-CG2 3.41Å; H94-T99 WeakPolarHBondContact CD2-CG2 3.5Å; F97-T99 HydrophobicContact CD1-CG2 4.38Å; T99-S101 PolarHBondContact O-N 3.43Å; T99-S101 PolarHBondContact OG1-OG 2.84Å; T99-G102 WeakPolarHBondContact O-CA 3.35Å; T99-G102 PolarHBondContact O-N 3.48Å; T99-W103 HydrophobicContact CG2-CE3 4.21Å; T99-W103 PolarHBondContact N-O 3.03Å; T99-W103 WeakPolarHBondContact OG1-CB 3.32Å; T99-W103 PolarHBondContact OG1-N 2.72Å; T99-W103 PolarHBondContact OG1-O 3.42Å | ||
| 100 | P | 96 | Very high | 92.7 | Very high | 150 Ų | 150 | 101.3 Ų | 101.3 | 97% | 0.974 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24.7 | 173.9 | -27.3 | 35.9 | 0 | 0 | 0 | 114.2 | G102 | P100-G102 VanDerWaalsContact C-N 3.27Š|
| 101 | S | 93.5 | Very high | 92.2 | Very high | 105 Ų | 105 | 98.8 Ų | 98.8 | 73% | 0.734 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -2 | 172.9 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | T99 W103 | T99-S101 PolarHBondContact O-N 3.43Å; T99-S101 PolarHBondContact OG1-OG 2.84Å; S101-W103 VanDerWaalsContact C-N 3.34Å |
| 102 | G | 93.3 | Very high | 91.9 | Very high | 48 Ų | 48 | 105.1 Ų | 105.1 | 50% | 0.495 | 57% | 0.573 | S | S | . | * | trans | 82.1 | 6.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T99 P100 | T99-G102 WeakPolarHBondContact O-CA 3.35Å; T99-G102 PolarHBondContact O-N 3.48Å; P100-G102 VanDerWaalsContact C-N 3.27Å | ||
| 103 | W | 95.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 104.1 Ų | 104.1 | 16% | 0.159 | 57% | 0.567 | C | S | . | * | trans | -76.9 | 138.3 | -177.9 | -175.2 | 88.1 | 0 | 0 | 0 | 111.6 | V91 F97 P98 T99 S101 P105 H123 | V91-W103 HydrophobicContact CB-CH2 4.22Å; V91-W103 HydrophobicContact CG1-CE3 4.39Å; V91-W103 HydrophobicContact CG1-CH2 3.53Å; V91-W103 HydrophobicContact CG1-CZ2 4.14Å; V91-W103 HydrophobicContact CG1-CZ3 3.67Å; V91-W103 HydrophobicContact CG2-CH2 4.13Å; V91-W103 HydrophobicContact CG2-CZ2 4.1Å; F97-W103 HydrophobicContact CE1-CE3 4.4Å; F97-W103 AromaticContact CE1-CZ3 3.99Å; F97-W103 HydrophobicContact CE1-CZ3 3.99Å; P98-W103 WeakPolarHBondContact CA-O 3.49Å; T99-W103 HydrophobicContact CG2-CE3 4.21Å; T99-W103 PolarHBondContact N-O 3.03Å; T99-W103 WeakPolarHBondContact OG1-CB 3.32Å; T99-W103 PolarHBondContact OG1-N 2.72Å; T99-W103 PolarHBondContact OG1-O 3.42Å; S101-W103 VanDerWaalsContact C-N 3.34Å; W103-P105 HydrophobicContact CH2-CB 3.53Å; W103-P105 HydrophobicContact CH2-CG 4.41Å; W103-P105 HydrophobicContact CZ2-CB 4.37Å; W103-P105 HydrophobicContact CZ3-CB 3.83Å; W103-P105 HydrophobicContact CZ3-CG 4.22Å; W103-H123 HydrophobicContact CZ2-CB 4.06Å; W103-H123 PolarHBondContact NE1-O 3Å | ||
| 104 | I | 95.1 | Very high | 91.8 | Very high | 65 Ų | 65 | 99.5 Ų | 99.5 | 33% | 0.333 | 55% | 0.548 | S | S | . | . | trans | -129.5 | 131.3 | 178 | -61.6 | 171.2 | 0 | 0 | 0 | 108.1 | P98 R119 L203 | P98-I104 HydrophobicContact CB-CD1 4.09Å; P98-I104 HydrophobicContact CB-CG1 3.72Å; I104-R119 PolarHBondContact O-NH1 3.39Å; I104-R119 PolarHBondContact O-NH2 2.96Å; I104-L203 HydrophobicContact CB-CD2 4.37Å; I104-L203 HydrophobicContact CD1-CD2 4.09Å | ||
| 105 | P | 94.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 96.1 Ų | 96.1 | 26% | 0.26 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -65 | 149.3 | 175.8 | 27.7 | -34.9 | 0 | 0 | 0 | 110.9 | F97 W103 | F97-P105 HydrophobicContact CD1-CG 4.03Å; F97-P105 HydrophobicContact CD2-CG 4.1Å; F97-P105 VanDerWaalsContact CE1-CD 3.47Å; F97-P105 HydrophobicContact CE1-CG 3.81Å; F97-P105 HydrophobicContact CE2-CG 3.89Å; F97-P105 HydrophobicContact CG-CG 4.16Å; F97-P105 HydrophobicContact CZ-CG 3.73Å; W103-P105 HydrophobicContact CH2-CB 3.53Å; W103-P105 HydrophobicContact CH2-CG 4.41Å; W103-P105 HydrophobicContact CZ2-CB 4.37Å; W103-P105 HydrophobicContact CZ3-CB 3.83Å; W103-P105 HydrophobicContact CZ3-CG 4.22Å |
| 106 | P | 94.2 | Very high | 92 | Very high | 49 Ų | 49 | 91.4 Ų | 91.4 | 32% | 0.318 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 147.7 | 170.6 | 29.3 | -35.4 | 0 | 0 | 0 | 110.2 | F207 | P106-F207 WeakPolarHBondContact CB-OXT 3.45Š|
| 107 | K | 92.1 | Very high | 92.1 | Very high | 135 Ų | 135 | 81.2 Ų | 81.2 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 161.2 | 168.3 | -64.7 | 178.5 | -172.3 | 161.3 | 0 | 109.6 | R109 G206 | K107-R109 PolarHBondContact O-N 3.07Å; K107-G206 WeakPolarHBondContact CB-O 3.41Å; K107-G206 PolarHBondContact N-O 3.19Å |
| 108 | D | 88.2 | Confident | 92.2 | Very high | 164 Ų | 164 | 82.2 Ų | 82.2 | 88% | 0.877 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 138.3 | 174.3 | -67.9 | -40.4 | 0 | 0 | 0 | 110.8 | C110 | D108-C110 PolarHBondContact O-N 2.91Š|
| 109 | R | 85.2 | Confident | 92.2 | Very high | 174 Ų | 174 | 79.3 Ų | 79.3 | 66% | 0.657 | 44% | 0.439 | S | S | * | . | trans | -61.2 | 113.7 | -176.8 | -175.9 | -178.4 | 178.3 | -174.9 | 2.6 | 109.7 | K107 A111 Y116 | K107-R109 PolarHBondContact O-N 3.07Å; R109-A111 PolarHBondContact O-N 3.36Å; R109-Y116 HydrophobicContact CG-CD2 4.23Å; R109-Y116 HydrophobicContact CG-CE2 4.34Å | ||
| 110 | C | 81.9 | Confident | 92.3 | Very high | 61 Ų | 61 | 79.7 Ų | 79.7 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | trans | -64.2 | 114.6 | 170.4 | 165.4 | 0 | 0 | 0 | 0 | 110.2 | D108 H112 C113 | D108-C110 PolarHBondContact O-N 2.91Å; C110-H112 PolarHBondContact O-N 3.22Å; C110-C113 HydrophobicContact CB-CB 3.78Å; C110-C113 WeakPolarHBondContact CB-SG 3.32Å; C110-C113 PolarHBondContact O-N 3.07Å; C110-C113 WeakPolarHBondContact SG-CB 3.33Å; C110-C113 PolarHBondContact SG-N 3.02Å; C110-C113 CovalentContact SG-SG 2.06Å; C110-C113 PolarHBondContact SG-SG 3.11Å | ||
| 111 | A | 83.4 | Confident | 92.2 | Very high | 93 Ų | 93 | 80.3 Ų | 80.3 | 77% | 0.769 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R109 | R109-A111 PolarHBondContact O-N 3.36Š|
| 112 | H | 88.2 | Confident | 92.3 | Very high | 182 Ų | 182 | 81.3 Ų | 81.3 | 84% | 0.843 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 2.6 | -174.6 | -59.8 | 89.3 | 0 | 0 | 0 | 113.6 | C110 | C110-H112 PolarHBondContact O-N 3.22Š|
| 113 | C | 88.7 | Confident | 92.4 | Very high | 64 Ų | 64 | 82 Ų | 82 | 43% | 0.432 | 41% | 0.405 | S | S | . | . | trans | -80.5 | 133.5 | -176.8 | -71.5 | 0 | 0 | 0 | 0 | 109.9 | C110 Y115 | C110-C113 HydrophobicContact CB-CB 3.78Å; C110-C113 WeakPolarHBondContact CB-SG 3.32Å; C110-C113 PolarHBondContact O-N 3.07Å; C110-C113 WeakPolarHBondContact SG-CB 3.33Å; C110-C113 PolarHBondContact SG-N 3.02Å; C110-C113 CovalentContact SG-SG 2.06Å; C110-C113 PolarHBondContact SG-SG 3.11Å; C113-Y115 PolarHBondContact O-N 3.44Å | ||
| 114 | P | 94.4 | Very high | 92.4 | Very high | 78 Ų | 78 | 84.2 Ų | 84.2 | 51% | 0.506 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -65.4 | -25.8 | -170.7 | 22.8 | -32.1 | 0 | 0 | 0 | 113.4 | D157 A160 | P114-D157 HydrophobicContact CB-CB 4.41Å; P114-D157 PolarHBondContact O-N 2.64Å; P114-A160 HydrophobicContact CB-CB 4.32Å; P114-A160 HydrophobicContact CG-CB 4.36Å |
| 115 | Y | 95.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 82.1 Ų | 82.1 | 6% | 0.063 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 162.9 | 178.2 | 60.6 | -93.1 | 0 | 0 | 0 | 111.2 | C113 E155 D157 A160 C161 D164 F207 | C113-Y115 PolarHBondContact O-N 3.44Å; Y115-E155 CarbonylContact C-O 3.57Å; Y115-E155 WeakPolarHBondContact CA-O 3.33Å; Y115-E155 WeakPolarHBondContact CB-O 3.41Å; Y115-D157 WeakPolarHBondContact CB-O 3.44Å; Y115-A160 HydrophobicContact CD1-CB 3.88Å; Y115-A160 HydrophobicContact CE1-CB 4.2Å; Y115-C161 HydrophobicContact CD1-CB 3.79Å; Y115-C161 HydrophobicContact CD2-CB 3.57Å; Y115-C161 VanDerWaalsContact CE1-CA 3.5Å; Y115-C161 HydrophobicContact CE1-CB 4.05Å; Y115-C161 HydrophobicContact CE2-CB 3.82Å; Y115-C161 HydrophobicContact CG-CB 3.57Å; Y115-D164 WeakPolarHBondContact CE1-OD2 3.44Å; Y115-D164 WeakPolarHBondContact OH-CB 3.4Å; Y115-D164 PolarHBondContact OH-OD2 2.96Å; Y115-D164 VanDerWaalsContact OH-OD2 3.09Å; Y115-F207 AromaticContact CD2-CZ 3.92Å; Y115-F207 HydrophobicContact CD2-CZ 3.92Å; Y115-F207 AromaticContact CE2-CE2 3.8Å; Y115-F207 HydrophobicContact CE2-CE2 3.8Å; Y115-F207 AromaticContact CE2-CZ 3.48Å; Y115-F207 HydrophobicContact CE2-CZ 3.48Å; Y115-F207 VanDerWaalsContact CE2-CZ 3.48Å |
| 116 | Y | 95.7 | Very high | 92.6 | Very high | 47 Ų | 47 | 80.2 Ų | 80.2 | 18% | 0.184 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 135.6 | 177.5 | 179.2 | -108.1 | 0 | 0 | 0 | 110.3 | R109 R118 E155 F207 | R109-Y116 HydrophobicContact CG-CD2 4.23Å; R109-Y116 HydrophobicContact CG-CE2 4.34Å; Y116-R118 HydrophobicContact CD1-CB 4.45Å; Y116-R118 HydrophobicContact CE1-CB 4.05Å; Y116-R118 HydrophobicContact CE1-CG 4.33Å; Y116-E155 PolarHBondContact N-O 3.27Å; Y116-E155 PolarHBondContact O-N 3.48Å; Y116-F207 AromaticContact CD2-CD1 3.92Å; Y116-F207 HydrophobicContact CD2-CD1 3.92Å; Y116-F207 HydrophobicContact CD2-CE1 4.13Å; Y116-F207 HydrophobicContact CE2-CD1 4.2Å |
| 117 | V | 96.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 112 | 177 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | P126 L151 V154 L202 F207 | V117-P126 HydrophobicContact CG1-CG 3.64Å; V117-L151 HydrophobicContact CG1-CD2 4.07Å; V117-L151 HydrophobicContact CG2-CD2 4.25Å; V117-V154 HydrophobicContact CG2-CG2 4.41Å; V117-L202 HydrophobicContact CB-CD2 3.93Å; V117-L202 HydrophobicContact CG1-CD1 4.38Å; V117-L202 HydrophobicContact CG1-CD2 3.92Å; V117-L202 HydrophobicContact CG2-CD2 3.84Å; V117-F207 HydrophobicContact CB-CB 4.18Å; V117-F207 HydrophobicContact CB-CD1 4.39Å; V117-F207 HydrophobicContact CB-CD2 4.41Å; V117-F207 HydrophobicContact CB-CG 4.09Å; V117-F207 HydrophobicContact CG2-CD2 4.34Å; V117-F207 HydrophobicContact CG2-CG 4.46Å |
| 118 | R | 95.2 | Very high | 93 | Very high | 118 Ų | 118 | 76 Ų | 76 | 45% | 0.445 | 37% | 0.37 | S | S | . | . | trans | -81.2 | 133.1 | -176 | -167.9 | 174.6 | 71.5 | 99.1 | -9.8 | 112.1 | Y116 P126 K153 E155 | Y116-R118 HydrophobicContact CD1-CB 4.45Å; Y116-R118 HydrophobicContact CE1-CB 4.05Å; Y116-R118 HydrophobicContact CE1-CG 4.33Å; R118-P126 WeakPolarHBondContact O-CG 3.41Å; R118-K153 HydrophobicContact CB-CB 4.29Å; R118-K153 HydrophobicContact CB-CD 4.49Å; R118-K153 PolarHBondContact N-O 2.63Å; R118-K153 VanDerWaalsContact N-O 3.1Å; R118-E155 WeakPolarHBondContact CD-OE1 3.43Å; R118-E155 IonicContact NE-OE1 2.73Å | ||
| 119 | R | 95.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 71.4 Ų | 71.4 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | trans | -57.9 | 156.9 | 170.4 | -63.2 | -65.4 | -173.2 | 110.7 | -1.7 | 112.5 | I104 H123 L124 F125 K153 F207 | I104-R119 PolarHBondContact O-NH1 3.39Å; I104-R119 PolarHBondContact O-NH2 2.96Å; R119-H123 PolarHBondContact NH1-O 3.31Å; R119-L124 WeakPolarHBondContact CA-O 3.33Å; R119-F125 VanDerWaalsContact NE-CE1 3.26Å; R119-F125 VanDerWaalsContact NH2-CZ 3.26Å; R119-K153 PolarHBondContact O-NZ 2.88Å; R119-F207 PolarHBondContact NE-O 3.44Å; R119-F207 VanDerWaalsContact NE-O 3.15Å; R119-F207 PolarHBondContact NE-OXT 3.31Å; R119-F207 PolarHBondContact NH2-O 3.5Å | ||
| 120 | N | 95.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 65.7 Ų | 65.7 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | trans | -76.1 | 176.1 | 174.7 | 77.8 | 12.7 | 0 | 0 | 0 | 111.6 | F122 H123 L124 | N120-F122 PolarHBondContact O-N 3.38Å; N120-F122 VanDerWaalsContact O-N 3.13Å; N120-F122 VanDerWaalsContact OD1-CA 3.26Å; N120-F122 WeakPolarHBondContact OD1-CA 3.36Å; N120-F122 WeakPolarHBondContact OD1-CB 3.45Å; N120-F122 PolarHBondContact OD1-N 3.46Å; N120-H123 PolarHBondContact O-N 3.08Å; N120-H123 PolarHBondContact OD1-N 3.35Å; N120-L124 PolarHBondContact N-O 3.42Å; N120-L124 PolarHBondContact OD1-N 3.07Å; N120-L124 PolarHBondContact OD1-O 2.95Å | ||
| 121 | R | 94.9 | Very high | 94.6 | Very high | 162 Ų | 162 | 68.5 Ų | 68.5 | 61% | 0.611 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.9 | 179.4 | 68.7 | 179.9 | -74.7 | 173 | 4 | 113.5 | I88 | I88-R121 HydrophobicContact CD1-CB 3.58Å; I88-R121 HydrophobicContact CD1-CG 3.78Å; I88-R121 WeakPolarHBondContact CD1-O 3.42Å |
| 122 | F | 94.7 | Very high | 95.1 | Very high | 127 Ų | 127 | 69.1 Ų | 69.1 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 16.3 | 177 | -52.6 | -65.9 | 0 | 0 | 0 | 111.9 | I88 N120 L124 | I88-F122 HydrophobicContact CD1-CD1 4.48Å; I88-F122 HydrophobicContact CD1-CE1 4.42Å; N120-F122 PolarHBondContact O-N 3.38Å; N120-F122 VanDerWaalsContact O-N 3.13Å; N120-F122 VanDerWaalsContact OD1-CA 3.26Å; N120-F122 WeakPolarHBondContact OD1-CA 3.36Å; N120-F122 WeakPolarHBondContact OD1-CB 3.45Å; N120-F122 PolarHBondContact OD1-N 3.46Å; F122-L124 HydrophobicContact CB-CG 4.48Å; F122-L124 PolarHBondContact O-N 3.26Å |
| 123 | H | 94.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 68.4 Ų | 68.4 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 62.1 | 19.4 | 179.9 | -44.6 | -79.1 | 0 | 0 | 0 | 115.4 | V91 W103 R119 N120 | V91-H123 HydrophobicContact CG2-CB 3.86Å; V91-H123 WeakPolarHBondContact CG2-CD2 3.29Å; W103-H123 HydrophobicContact CZ2-CB 4.06Å; W103-H123 PolarHBondContact NE1-O 3Å; R119-H123 PolarHBondContact NH1-O 3.31Å; N120-H123 PolarHBondContact O-N 3.08Å; N120-H123 PolarHBondContact OD1-N 3.35Å |
| 124 | L | 95.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -98.6 | 166.4 | 175.3 | -52 | 174.7 | 0 | 0 | 0 | 111.7 | R119 N120 F122 | R119-L124 WeakPolarHBondContact CA-O 3.33Å; N120-L124 PolarHBondContact N-O 3.42Å; N120-L124 PolarHBondContact OD1-N 3.07Å; N120-L124 PolarHBondContact OD1-O 2.95Å; F122-L124 HydrophobicContact CB-CG 4.48Å; F122-L124 PolarHBondContact O-N 3.26Å |
| 125 | F | 96.5 | Very high | 95.5 | Very high | 21 Ų | 21 | 69 Ų | 69 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | trans | -64.5 | 141.5 | 174.4 | -66 | -60.3 | 0 | 0 | 0 | 112 | R119 V127 E199 L202 L203 F207 | R119-F125 VanDerWaalsContact NE-CE1 3.26Å; R119-F125 VanDerWaalsContact NH2-CZ 3.26Å; F125-V127 HydrophobicContact CB-CG2 3.98Å; F125-V127 PolarHBondContact O-N 3Å; F125-E199 HydrophobicContact CB-CG 4.48Å; F125-E199 HydrophobicContact CD2-CB 4.35Å; F125-E199 HydrophobicContact CD2-CG 4.16Å; F125-L202 HydrophobicContact CB-CD1 3.91Å; F125-L202 HydrophobicContact CD1-CB 3.71Å; F125-L202 HydrophobicContact CD1-CD1 3.57Å; F125-L202 HydrophobicContact CD1-CG 4.25Å; F125-L202 HydrophobicContact CE1-CB 3.48Å; F125-L202 VanDerWaalsContact CE1-CB 3.48Å; F125-L202 HydrophobicContact CE1-CD1 4.25Å; F125-L202 HydrophobicContact CE1-CG 4.45Å; F125-L202 HydrophobicContact CE2-CB 4.49Å; F125-L202 HydrophobicContact CG-CB 4.3Å; F125-L202 HydrophobicContact CG-CD1 3.85Å; F125-L202 HydrophobicContact CZ-CB 3.91Å; F125-L203 HydrophobicContact CE2-CD1 4.39Å; F125-L203 HydrophobicContact CE2-CD2 3.67Å; F125-L203 HydrophobicContact CE2-CG 3.64Å; F125-L203 HydrophobicContact CZ-CD2 3.67Å; F125-L203 HydrophobicContact CZ-CG 3.8Å; F125-F207 VanDerWaalsContact CE1-O 3.29Å; F125-F207 WeakPolarHBondContact CE1-O 3.4Å | ||
| 126 | P | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -79.5 | 45.1 | 177.5 | 37 | -39.5 | 0 | 0 | 0 | 112 | V117 R118 Y128 K152 K153 | V117-P126 HydrophobicContact CG1-CG 3.64Å; R118-P126 WeakPolarHBondContact O-CG 3.41Å; P126-Y128 HydrophobicContact CB-CE2 4.48Å; P126-Y128 WeakPolarHBondContact O-CD2 3.13Å; P126-Y128 WeakPolarHBondContact O-CE2 3.47Å; P126-K152 HydrophobicContact CB-CB 4.31Å; P126-K152 WeakPolarHBondContact CB-O 3.32Å; P126-K152 WeakPolarHBondContact CG-O 3.41Å; P126-K152 PolarHBondContact O-N 3.02Å; P126-K153 HydrophobicContact CB-CB 4.24Å; P126-K153 HydrophobicContact CB-CD 4.1Å; P126-K153 HydrophobicContact CB-CG 4.12Å; P126-K153 HydrophobicContact CG-CB 4.27Å | ||
| 127 | V | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.3 | -177.9 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | F125 I150 K195 L198 E199 L202 | F125-V127 HydrophobicContact CB-CG2 3.98Å; F125-V127 PolarHBondContact O-N 3Å; V127-I150 CarbonylContact C-O 3.51Å; V127-I150 WeakPolarHBondContact CA-O 3.43Å; V127-K195 HydrophobicContact CB-CG 4.42Å; V127-K195 HydrophobicContact CG1-CB 4.34Å; V127-K195 HydrophobicContact CG1-CG 3.75Å; V127-K195 WeakPolarHBondContact O-CE 3.41Å; V127-L198 HydrophobicContact CG1-CB 3.72Å; V127-L198 HydrophobicContact CG1-CD1 3.75Å; V127-L198 HydrophobicContact CG1-CG 4.31Å; V127-L198 HydrophobicContact CG2-CB 4.17Å; V127-E199 HydrophobicContact CB-CG 4.24Å; V127-E199 HydrophobicContact CG2-CG 4.25Å; V127-L202 HydrophobicContact CG2-CD1 3.54Å |
| 128 | Y | 97.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 84 Ų | 84 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 150.3 | -176.8 | -53.2 | -83 | 0 | 0 | 0 | 110.2 | P126 I150 K152 | P126-Y128 HydrophobicContact CB-CE2 4.48Å; P126-Y128 WeakPolarHBondContact O-CD2 3.13Å; P126-Y128 WeakPolarHBondContact O-CE2 3.47Å; Y128-I150 PolarHBondContact N-O 3.28Å; Y128-I150 PolarHBondContact O-N 3.23Å; Y128-K152 HydrophobicContact CD2-CD 3.85Å; Y128-K152 HydrophobicContact CD2-CG 4.05Å; Y128-K152 HydrophobicContact CE2-CB 4.34Å; Y128-K152 HydrophobicContact CE2-CD 3.68Å; Y128-K152 HydrophobicContact CE2-CG 4.07Å |
| 129 | S | 97 | Very high | 95.1 | Very high | 69 Ų | 69 | 87.7 Ų | 87.7 | 48% | 0.483 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142.2 | 164.6 | 50.2 | 0 | 0 | 0 | 0 | 109.7 | L148 | S129-L148 CarbonylContact C-O 3.49Å; S129-L148 WeakPolarHBondContact CA-O 3.47Å |
| 130 | E | 96.2 | Very high | 95 | Very high | 53 Ų | 53 | 90.7 Ų | 90.7 | 25% | 0.248 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 125.5 | 175.2 | -176.1 | 177.1 | -175.3 | 0 | 0 | 108.1 | R132 L148 I150 R189 | E130-R132 HydrophobicContact CG-CG 4.06Å; E130-R132 IonicContact OE1-CZ 3.12Å; E130-R132 IonicContact OE1-NE 3.54Å; E130-R132 PolarHBondContact OE1-NE 2.94Å; E130-R132 IonicContact OE1-NH2 2.72Å; E130-R132 PolarHBondContact OE1-NH2 3.37Å; E130-R132 IonicContact OE2-CZ 3.84Å; E130-R132 IonicContact OE2-NE 2.88Å; E130-R132 IonicContact OE2-NH2 3.65Å; E130-L148 PolarHBondContact N-O 3.16Å; E130-L148 PolarHBondContact O-N 2.87Å; E130-I150 HydrophobicContact CB-CD1 3.45Å; E130-I150 VanDerWaalsContact CB-CD1 3.45Å; E130-I150 HydrophobicContact CB-CG1 4.26Å; E130-I150 HydrophobicContact CG-CD1 4.22Å; E130-I150 WeakPolarHBondContact OE2-CD1 3.35Å; E130-R189 IonicContact OE1-NH2 3.82Å; E130-R189 IonicContact OE2-CZ 3.65Å; E130-R189 IonicContact OE2-NE 3.72Å; E130-R189 IonicContact OE2-NH2 2.83Å; E130-R189 PolarHBondContact OE2-NH2 2.75Å |
| 131 | I | 95.7 | Very high | 94.9 | Very high | 121 Ų | 121 | 95.7 Ų | 95.7 | 62% | 0.621 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.4 | 173.1 | -57.4 | 172.3 | 0 | 0 | 0 | 107.8 | Y145 V146 | I131-Y145 HydrophobicContact CG2-CD1 3.82Å; I131-Y145 HydrophobicContact CG2-CG 4.18Å; I131-V146 WeakPolarHBondContact CA-O 2.98Å |
| 132 | R | 94.7 | Very high | 94.8 | Very high | 105 Ų | 105 | 94 Ų | 94 | 40% | 0.396 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.3 | 178 | -69.3 | -152.1 | 162.3 | -167.1 | -13.7 | 112.2 | E130 Y145 V146 L148 R189 | E130-R132 HydrophobicContact CG-CG 4.06Å; E130-R132 IonicContact OE1-CZ 3.12Å; E130-R132 IonicContact OE1-NE 3.54Å; E130-R132 PolarHBondContact OE1-NE 2.94Å; E130-R132 IonicContact OE1-NH2 2.72Å; E130-R132 PolarHBondContact OE1-NH2 3.37Å; E130-R132 IonicContact OE2-CZ 3.84Å; E130-R132 IonicContact OE2-NE 2.88Å; E130-R132 IonicContact OE2-NH2 3.65Å; R132-Y145 CarbonylContact O-C 3.58Å; R132-Y145 VanDerWaalsContact O-CA 3.29Å; R132-Y145 WeakPolarHBondContact O-CA 3.34Å; R132-V146 PolarHBondContact N-O 2.81Å; R132-V146 PolarHBondContact O-N 3.47Å; R132-L148 HydrophobicContact CB-CD1 4.42Å; R132-L148 HydrophobicContact CG-CD1 4.01Å; R132-R189 VanDerWaalsContact CZ-NH2 3.25Å |
| 133 | R | 94.5 | Very high | 94.7 | Very high | 167 Ų | 167 | 92 Ų | 92 | 63% | 0.63 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 131.3 | 166.7 | -66 | 179 | -177 | 169.3 | 2.6 | 108.5 | F143 Y145 | R133-F143 HydrophobicContact CB-CB 4.38Å; R133-F143 HydrophobicContact CB-CD1 4.33Å; R133-F143 HydrophobicContact CB-CG 4.45Å; R133-F143 HydrophobicContact CG-CB 4.19Å; R133-F143 HydrophobicContact CG-CG 4.33Å; R133-Y145 HydrophobicContact CG-CD1 4.04Å; R133-Y145 HydrophobicContact CG-CE1 3.47Å; R133-Y145 VanDerWaalsContact CG-CE1 3.47Å |
| 134 | D | 91.8 | Very high | 94.7 | Very high | 75 Ų | 75 | 91 Ų | 91 | 40% | 0.401 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -96 | 178.3 | -167.4 | 13.6 | 0 | 0 | 0 | 109.3 | S144 V146 R191 | D134-S144 PolarHBondContact N-O 3.43Å; D134-V146 HydrophobicContact CB-CB 4.46Å; D134-V146 HydrophobicContact CB-CG2 3.6Å; D134-V146 WeakPolarHBondContact OD2-CG2 3.33Å; D134-R191 IonicContact OD2-CZ 3.69Å; D134-R191 IonicContact OD2-NH1 3.8Å; D134-R191 IonicContact OD2-NH2 2.89Å; D134-R191 PolarHBondContact OD2-NH2 3.02Å |
| 135 | T | 93.5 | Very high | 94.6 | Very high | 81 Ų | 81 | 93.3 Ų | 93.3 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.1 | -174.9 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | S144 | T135-S144 PolarHBondContact N-OG 2.94Å; T135-S144 PolarHBondContact O-N 3.29Å; T135-S144 PolarHBondContact O-OG 2.83Å |
| 136 | L | 94.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 93.5 Ų | 93.5 | 38% | 0.377 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.5 | 171.3 | 179.9 | 69.8 | 0 | 0 | 0 | 109.8 | R138 F143 | L136-R138 PolarHBondContact O-N 2.88Å; L136-F143 HydrophobicContact CB-CD1 3.96Å; L136-F143 HydrophobicContact CB-CE1 3.75Å; L136-F143 HydrophobicContact CB-CZ 4.43Å; L136-F143 HydrophobicContact CD1-CD1 4.04Å; L136-F143 HydrophobicContact CD1-CD2 4.1Å; L136-F143 HydrophobicContact CD1-CE1 3.88Å; L136-F143 HydrophobicContact CD1-CE2 3.93Å; L136-F143 HydrophobicContact CD1-CG 4.16Å; L136-F143 HydrophobicContact CD1-CZ 3.82Å; L136-F143 HydrophobicContact CG-CE1 4.31Å |
| 137 | D | 93.3 | Very high | 94.4 | Very high | 78 Ų | 78 | 98.3 Ų | 98.3 | 42% | 0.417 | 47% | 0.467 | S | S | . | . | trans | -74.5 | 113.4 | 170.5 | -64.9 | -28.5 | 0 | 0 | 0 | 108.4 | E139 T140 L141 E142 | D137-E139 PolarHBondContact O-N 3.19Å; D137-T140 VanDerWaalsContact CB-OG1 3.26Å; D137-T140 WeakPolarHBondContact CB-OG1 3.34Å; D137-L141 WeakPolarHBondContact O-CA 3.38Å; D137-L141 PolarHBondContact O-N 3.09Å; D137-E142 WeakPolarHBondContact CB-O 3.26Å; D137-E142 PolarHBondContact N-O 3.48Å | ||
| 138 | R | 93.3 | Very high | 94.4 | Very high | 229 Ų | 229 | 99.4 Ų | 99.4 | 86% | 0.864 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24.9 | -171.7 | -66 | -176.7 | 179.8 | -178.3 | 0.2 | 113.6 | L136 | L136-R138 PolarHBondContact O-N 2.88Š|
| 139 | E | 93.9 | Very high | 94.4 | Very high | 194 Ų | 194 | 95 Ų | 95 | 91% | 0.907 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -48 | -176.7 | -61.8 | -177 | 174.3 | 0 | 0 | 111.7 | D137 | D137-E139 PolarHBondContact O-N 3.19Š|
| 140 | T | 92.9 | Very high | 94.4 | Very high | 83 Ų | 83 | 92 Ų | 92 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -17.3 | 179.6 | 47.3 | 0 | 0 | 0 | 0 | 113 | D137 E142 | D137-T140 VanDerWaalsContact CB-OG1 3.26Å; D137-T140 WeakPolarHBondContact CB-OG1 3.34Å; T140-E142 PolarHBondContact O-N 3.43Å |
| 141 | L | 92 | Very high | 94.5 | Very high | 127 Ų | 127 | 89.4 Ų | 89.4 | 67% | 0.665 | 42% | 0.422 | S | S | * | . | trans | 59.5 | 24.8 | -169.8 | -57.1 | 172.5 | 0 | 0 | 0 | 113 | D137 | D137-L141 WeakPolarHBondContact O-CA 3.38Å; D137-L141 PolarHBondContact O-N 3.09Å | ||
| 142 | E | 93 | Very high | 94.6 | Very high | 128 Ų | 128 | 87.6 Ų | 87.6 | 60% | 0.598 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -98.7 | 146.9 | 177.7 | -66.7 | -175.8 | 170.8 | 0 | 0 | 111.1 | D137 T140 | D137-E142 WeakPolarHBondContact CB-O 3.26Å; D137-E142 PolarHBondContact N-O 3.48Å; T140-E142 PolarHBondContact O-N 3.43Å |
| 143 | F | 93.9 | Very high | 94.7 | Very high | 84 Ų | 84 | 85.4 Ų | 85.4 | 37% | 0.368 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.6 | 174.8 | -71.9 | -82.1 | 0 | 0 | 0 | 110.2 | R133 L136 Y145 | R133-F143 HydrophobicContact CB-CB 4.38Å; R133-F143 HydrophobicContact CB-CD1 4.33Å; R133-F143 HydrophobicContact CB-CG 4.45Å; R133-F143 HydrophobicContact CG-CB 4.19Å; R133-F143 HydrophobicContact CG-CG 4.33Å; L136-F143 HydrophobicContact CB-CD1 3.96Å; L136-F143 HydrophobicContact CB-CE1 3.75Å; L136-F143 HydrophobicContact CB-CZ 4.43Å; L136-F143 HydrophobicContact CD1-CD1 4.04Å; L136-F143 HydrophobicContact CD1-CD2 4.1Å; L136-F143 HydrophobicContact CD1-CE1 3.88Å; L136-F143 HydrophobicContact CD1-CE2 3.93Å; L136-F143 HydrophobicContact CD1-CG 4.16Å; L136-F143 HydrophobicContact CD1-CZ 3.82Å; L136-F143 HydrophobicContact CG-CE1 4.31Å; F143-Y145 HydrophobicContact CB-CE2 4.42Å; F143-Y145 VanDerWaalsContact O-CD2 3.26Å; F143-Y145 WeakPolarHBondContact O-CD2 3.42Å; F143-Y145 VanDerWaalsContact O-CE2 3.25Å; F143-Y145 WeakPolarHBondContact O-CE2 3.21Å |
| 144 | S | 93.5 | Very high | 94.8 | Very high | 41 Ų | 41 | 77.9 Ų | 77.9 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 146.3 | 161.3 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | D134 T135 | D134-S144 PolarHBondContact N-O 3.43Å; T135-S144 PolarHBondContact N-OG 2.94Å; T135-S144 PolarHBondContact O-N 3.29Å; T135-S144 PolarHBondContact O-OG 2.83Å |
| 145 | Y | 94.6 | Very high | 95 | Very high | 138 Ų | 138 | 78 Ų | 78 | 54% | 0.541 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.9 | 179.1 | -68.8 | -88.9 | 0 | 0 | 0 | 110.4 | I131 R132 R133 F143 | I131-Y145 HydrophobicContact CG2-CD1 3.82Å; I131-Y145 HydrophobicContact CG2-CG 4.18Å; R132-Y145 CarbonylContact O-C 3.58Å; R132-Y145 VanDerWaalsContact O-CA 3.29Å; R132-Y145 WeakPolarHBondContact O-CA 3.34Å; R133-Y145 HydrophobicContact CG-CD1 4.04Å; R133-Y145 HydrophobicContact CG-CE1 3.47Å; R133-Y145 VanDerWaalsContact CG-CE1 3.47Å; F143-Y145 HydrophobicContact CB-CE2 4.42Å; F143-Y145 VanDerWaalsContact O-CD2 3.26Å; F143-Y145 WeakPolarHBondContact O-CD2 3.42Å; F143-Y145 VanDerWaalsContact O-CE2 3.25Å; F143-Y145 WeakPolarHBondContact O-CE2 3.21Å |
| 146 | V | 94.4 | Very high | 95 | Very high | 24 Ų | 24 | 77 Ų | 77 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.7 | 177.6 | 175.6 | 0 | 0 | 0 | 0 | 109 | I131 R132 D134 L148 R191 | I131-V146 WeakPolarHBondContact CA-O 2.98Å; R132-V146 PolarHBondContact N-O 2.81Å; R132-V146 PolarHBondContact O-N 3.47Å; D134-V146 HydrophobicContact CB-CB 4.46Å; D134-V146 HydrophobicContact CB-CG2 3.6Å; D134-V146 WeakPolarHBondContact OD2-CG2 3.33Å; V146-L148 HydrophobicContact CG1-CD2 3.94Å; V146-R191 HydrophobicContact CG1-CG 3.87Å |
| 147 | E | 95 | Very high | 95.1 | Very high | 102 Ų | 102 | 77.1 Ų | 77.1 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128.7 | 169.4 | -170.5 | 175.1 | -173 | 0 | 0 | 109.9 | ||
| 148 | L | 97 | Very high | 95.3 | Very high | 24 Ų | 24 | 73.8 Ų | 73.8 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.5 | 175.3 | -58.9 | 177 | 0 | 0 | 0 | 108.8 | S129 E130 R132 V146 V190 R191 | S129-L148 CarbonylContact C-O 3.49Å; S129-L148 WeakPolarHBondContact CA-O 3.47Å; E130-L148 PolarHBondContact N-O 3.16Å; E130-L148 PolarHBondContact O-N 2.87Å; R132-L148 HydrophobicContact CB-CD1 4.42Å; R132-L148 HydrophobicContact CG-CD1 4.01Å; V146-L148 HydrophobicContact CG1-CD2 3.94Å; L148-V190 WeakPolarHBondContact CA-O 3.43Å; L148-R191 HydrophobicContact CD2-CB 3.75Å; L148-R191 HydrophobicContact CD2-CG 4.12Å |
| 149 | A | 97.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 136.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V190 A193 L198 | A149-V190 PolarHBondContact N-O 3.33Å; A149-V190 PolarHBondContact O-N 2.77Å; A149-A193 WeakPolarHBondContact CB-O 3.45Å; A149-L198 HydrophobicContact CB-CD1 3.45Å; A149-L198 VanDerWaalsContact CB-CD1 3.45Å; A149-L198 HydrophobicContact CB-CG 4.03Å |
| 150 | I | 97.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120.5 | -170.9 | -57.7 | -170.9 | 0 | 0 | 0 | 109.4 | V127 Y128 E130 K152 K187 I188 R189 | V127-I150 CarbonylContact C-O 3.51Å; V127-I150 WeakPolarHBondContact CA-O 3.43Å; Y128-I150 PolarHBondContact N-O 3.28Å; Y128-I150 PolarHBondContact O-N 3.23Å; E130-I150 HydrophobicContact CB-CD1 3.45Å; E130-I150 VanDerWaalsContact CB-CD1 3.45Å; E130-I150 HydrophobicContact CB-CG1 4.26Å; E130-I150 HydrophobicContact CG-CD1 4.22Å; E130-I150 WeakPolarHBondContact OE2-CD1 3.35Å; I150-K152 HydrophobicContact CG2-CG 3.93Å; I150-K187 HydrophobicContact CG2-CD 4.2Å; I150-K187 HydrophobicContact CG2-CG 3.98Å; I150-I188 WeakPolarHBondContact CA-O 3.34Å; I150-R189 HydrophobicContact CD1-CG 4.43Å; I150-R189 HydrophobicContact CG1-CG 4.22Å |
| 151 | L | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.6 | 170.9 | -162 | 159.9 | 0 | 0 | 0 | 108.4 | V117 V154 L165 K187 I188 L198 L202 | V117-L151 HydrophobicContact CG1-CD2 4.07Å; V117-L151 HydrophobicContact CG2-CD2 4.25Å; L151-V154 HydrophobicContact CD2-CG2 3.13Å; L151-L165 HydrophobicContact CD1-CD2 4.24Å; L151-K187 CarbonylContact O-C 3.58Å; L151-K187 VanDerWaalsContact O-CA 3.32Å; L151-K187 WeakPolarHBondContact O-CA 3.45Å; L151-I188 HydrophobicContact CB-CB 4.41Å; L151-I188 PolarHBondContact N-O 3.34Å; L151-I188 PolarHBondContact O-N 2.95Å; L151-L198 HydrophobicContact CB-CD1 4.35Å; L151-L202 HydrophobicContact CD1-CD1 4.43Å; L151-L202 HydrophobicContact CD1-CD2 4.24Å |
| 152 | K | 97.7 | Very high | 96.1 | Very high | 83 Ų | 83 | 50.6 Ų | 50.6 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | trans | -115.2 | 170.4 | 176.7 | -60.4 | -172.6 | -175 | 171.5 | 0 | 110.8 | P126 Y128 I150 V154 G186 K187 | P126-K152 HydrophobicContact CB-CB 4.31Å; P126-K152 WeakPolarHBondContact CB-O 3.32Å; P126-K152 WeakPolarHBondContact CG-O 3.41Å; P126-K152 PolarHBondContact O-N 3.02Å; Y128-K152 HydrophobicContact CD2-CD 3.85Å; Y128-K152 HydrophobicContact CD2-CG 4.05Å; Y128-K152 HydrophobicContact CE2-CB 4.34Å; Y128-K152 HydrophobicContact CE2-CD 3.68Å; Y128-K152 HydrophobicContact CE2-CG 4.07Å; I150-K152 HydrophobicContact CG2-CG 3.93Å; K152-V154 VanDerWaalsContact C-N 3.31Å; K152-V154 PolarHBondContact O-N 2.88Å; K152-G186 CarbonylContact C-O 3.54Å; K152-K187 HydrophobicContact CG-CG 4.32Å | ||
| 153 | K | 96.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 50.6 Ų | 50.6 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | trans | 60.6 | 38 | 174.4 | -52.5 | -173.8 | 174.2 | -161.6 | 0 | 113.4 | R118 R119 P126 G186 | R118-K153 HydrophobicContact CB-CB 4.29Å; R118-K153 HydrophobicContact CB-CD 4.49Å; R118-K153 PolarHBondContact N-O 2.63Å; R118-K153 VanDerWaalsContact N-O 3.1Å; R119-K153 PolarHBondContact O-NZ 2.88Å; P126-K153 HydrophobicContact CB-CB 4.24Å; P126-K153 HydrophobicContact CB-CD 4.1Å; P126-K153 HydrophobicContact CB-CG 4.12Å; P126-K153 HydrophobicContact CG-CB 4.27Å; K153-G186 PolarHBondContact N-O 2.82Å; K153-G186 VanDerWaalsContact N-O 3.11Å | ||
| 154 | V | 97.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 124.6 | 164.7 | -170.2 | 0 | 0 | 0 | 0 | 107.8 | V117 L151 K152 V158 C161 G186 I188 | V117-V154 HydrophobicContact CG2-CG2 4.41Å; L151-V154 HydrophobicContact CD2-CG2 3.13Å; K152-V154 VanDerWaalsContact C-N 3.31Å; K152-V154 PolarHBondContact O-N 2.88Å; V154-V158 HydrophobicContact CB-CG1 4.29Å; V154-V158 HydrophobicContact CB-CG2 4.35Å; V154-V158 HydrophobicContact CG1-CB 4.36Å; V154-V158 HydrophobicContact CG1-CG1 4.2Å; V154-V158 HydrophobicContact CG1-CG2 4.14Å; V154-C161 HydrophobicContact CG1-CB 3.89Å; V154-G186 PolarHBondContact N-O 3.19Å; V154-G186 WeakPolarHBondContact O-CA 3.48Å; V154-I188 HydrophobicContact CG2-CD1 4.14Å; V154-I188 HydrophobicContact CG2-CG1 4.45Å |
| 155 | E | 94.8 | Very high | 96.7 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 36% | 0.36 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 147.8 | 175.6 | -62.2 | 176 | -173.9 | 0 | 0 | 108.6 | Y115 Y116 R118 | Y115-E155 CarbonylContact C-O 3.57Å; Y115-E155 WeakPolarHBondContact CA-O 3.33Å; Y115-E155 WeakPolarHBondContact CB-O 3.41Å; Y116-E155 PolarHBondContact N-O 3.27Å; Y116-E155 PolarHBondContact O-N 3.48Å; R118-E155 WeakPolarHBondContact CD-OE1 3.43Å; R118-E155 IonicContact NE-OE1 2.73Å |
| 156 | G | 94.7 | Very high | 96.8 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 63% | 0.629 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 85.6 | -146 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | V158 | G156-V158 PolarHBondContact O-N 2.89Å |
| 157 | D | 95.9 | Very high | 96.9 | Very high | 75 Ų | 75 | 44.9 Ų | 44.9 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | trans | -74.8 | 95.6 | -179 | -174.9 | -5.5 | 0 | 0 | 0 | 111.6 | P114 Y115 F159 A160 C161 | P114-D157 HydrophobicContact CB-CB 4.41Å; P114-D157 PolarHBondContact O-N 2.64Å; Y115-D157 WeakPolarHBondContact CB-O 3.44Å; D157-F159 PolarHBondContact O-N 2.84Å; D157-F159 WeakPolarHBondContact OD1-CB 3.41Å; D157-F159 PolarHBondContact OD1-N 3.22Å; D157-A160 HydrophobicContact CB-CB 3.96Å; D157-A160 PolarHBondContact O-N 3.09Å; D157-A160 PolarHBondContact OD1-N 3.31Å; D157-A160 WeakPolarHBondContact OD2-CB 3.47Å; D157-C161 PolarHBondContact O-N 2.66Å | ||
| 158 | V | 97.2 | Very high | 97 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -29.5 | -179.5 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | V154 G156 C161 E162 V181 I188 | V154-V158 HydrophobicContact CB-CG1 4.29Å; V154-V158 HydrophobicContact CB-CG2 4.35Å; V154-V158 HydrophobicContact CG1-CB 4.36Å; V154-V158 HydrophobicContact CG1-CG1 4.2Å; V154-V158 HydrophobicContact CG1-CG2 4.14Å; G156-V158 PolarHBondContact O-N 2.89Å; V158-C161 WeakPolarHBondContact O-CB 3.45Å; V158-C161 PolarHBondContact O-N 3.09Å; V158-E162 WeakPolarHBondContact O-CB 3.14Å; V158-E162 PolarHBondContact O-N 3.14Å; V158-V181 HydrophobicContact CB-CG1 4.24Å; V158-V181 HydrophobicContact CG1-CG1 3.59Å; V158-I188 HydrophobicContact CG1-CD1 4.07Å; V158-I188 HydrophobicContact CG1-CG1 3.87Å |
| 159 | F | 97.6 | Very high | 97 | Very high | 96 Ų | 96 | 40.6 Ų | 40.6 | 42% | 0.421 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -75.2 | -36.6 | 179.7 | -62.6 | -75.8 | 0 | 0 | 0 | 111.6 | D157 C161 E162 K163 V181 E183 | D157-F159 PolarHBondContact O-N 2.84Å; D157-F159 WeakPolarHBondContact OD1-CB 3.41Å; D157-F159 PolarHBondContact OD1-N 3.22Å; F159-C161 VanDerWaalsContact C-N 3.32Å; F159-E162 PolarHBondContact O-N 2.8Å; F159-K163 WeakPolarHBondContact O-CG 3.19Å; F159-K163 PolarHBondContact O-N 3.1Å; F159-V181 HydrophobicContact CD1-CB 4.47Å; F159-V181 HydrophobicContact CD1-CG1 4.26Å; F159-V181 HydrophobicContact CD1-CG2 4.38Å; F159-V181 HydrophobicContact CE1-CB 4.16Å; F159-V181 HydrophobicContact CE1-CG1 3.99Å; F159-V181 HydrophobicContact CZ-CG1 4.44Å; F159-E183 HydrophobicContact CE2-CB 4.49Å; F159-E183 HydrophobicContact CE2-CG 4.39Å; F159-E183 HydrophobicContact CZ-CB 4.49Å |
| 160 | A | 96.9 | Very high | 97 | Very high | 17 Ų | 17 | 44 Ų | 44 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P114 Y115 D157 E162 K163 D164 | P114-A160 HydrophobicContact CB-CB 4.32Å; P114-A160 HydrophobicContact CG-CB 4.36Å; Y115-A160 HydrophobicContact CD1-CB 3.88Å; Y115-A160 HydrophobicContact CE1-CB 4.2Å; D157-A160 HydrophobicContact CB-CB 3.96Å; D157-A160 PolarHBondContact O-N 3.09Å; D157-A160 PolarHBondContact OD1-N 3.31Å; D157-A160 WeakPolarHBondContact OD2-CB 3.47Å; A160-E162 VanDerWaalsContact C-N 3.31Å; A160-E162 PolarHBondContact O-N 3.36Å; A160-K163 PolarHBondContact O-N 3.29Å; A160-D164 PolarHBondContact O-N 3.48Å; A160-D164 VanDerWaalsContact O-N 3.07Å |
| 161 | C | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 112.5 | Y115 V154 D157 V158 F159 L165 I188 | Y115-C161 HydrophobicContact CD1-CB 3.79Å; Y115-C161 HydrophobicContact CD2-CB 3.57Å; Y115-C161 VanDerWaalsContact CE1-CA 3.5Å; Y115-C161 HydrophobicContact CE1-CB 4.05Å; Y115-C161 HydrophobicContact CE2-CB 3.82Å; Y115-C161 HydrophobicContact CG-CB 3.57Å; V154-C161 HydrophobicContact CG1-CB 3.89Å; D157-C161 PolarHBondContact O-N 2.66Å; V158-C161 WeakPolarHBondContact O-CB 3.45Å; V158-C161 PolarHBondContact O-N 3.09Å; F159-C161 VanDerWaalsContact C-N 3.32Å; C161-L165 WeakPolarHBondContact O-CB 3.38Å; C161-L165 PolarHBondContact O-N 2.93Å; C161-I188 HydrophobicContact CB-CD1 4.17Å |
| 162 | E | 97.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 58 Ų | 58 | 16% | 0.159 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -42.5 | 179.6 | 177.7 | -92.4 | 171.1 | 0 | 0 | 112.2 | V158 F159 A160 L165 A166 T179 V181 I188 | V158-E162 WeakPolarHBondContact O-CB 3.14Å; V158-E162 PolarHBondContact O-N 3.14Å; F159-E162 PolarHBondContact O-N 2.8Å; A160-E162 VanDerWaalsContact C-N 3.31Å; A160-E162 PolarHBondContact O-N 3.36Å; E162-L165 PolarHBondContact O-N 3.05Å; E162-A166 VanDerWaalsContact O-CB 3.32Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 3.42Å; E162-T179 HydrophobicContact CG-CG2 4.28Å; E162-T179 WeakPolarHBondContact OE1-CB 3.26Å; E162-T179 PolarHBondContact OE1-OG1 3.19Å; E162-V181 HydrophobicContact CB-CG2 3.67Å; E162-V181 HydrophobicContact CG-CG2 3.51Å; E162-I188 HydrophobicContact CB-CD1 3.99Å; E162-I188 HydrophobicContact CG-CG2 4.36Å |
| 163 | K | 97.3 | Very high | 96.7 | Very high | 128 Ų | 128 | 56.6 Ų | 56.6 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.3 | -48.3 | 175.8 | -70.9 | 171.4 | -176.4 | 175.3 | 0 | 111.9 | F159 A160 L165 A166 N167 | F159-K163 WeakPolarHBondContact O-CG 3.19Å; F159-K163 PolarHBondContact O-N 3.1Å; A160-K163 PolarHBondContact O-N 3.29Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 3.39Å; K163-A166 PolarHBondContact O-N 3.12Å; K163-N167 WeakPolarHBondContact O-CB 3.07Å; K163-N167 PolarHBondContact O-N 3.48Å; K163-N167 PolarHBondContact O-ND2 3.41Å; K163-N167 VanDerWaalsContact O-ND2 3.08Å |
| 164 | D | 97.2 | Very high | 96.6 | Very high | 73 Ų | 73 | 57.1 Ų | 57.1 | 39% | 0.39 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 179.6 | -72 | -18.9 | 0 | 0 | 0 | 111.3 | Y115 A160 F168 F201 | Y115-D164 WeakPolarHBondContact CE1-OD2 3.44Å; Y115-D164 WeakPolarHBondContact OH-CB 3.4Å; Y115-D164 PolarHBondContact OH-OD2 2.96Å; Y115-D164 VanDerWaalsContact OH-OD2 3.09Å; A160-D164 PolarHBondContact O-N 3.48Å; A160-D164 VanDerWaalsContact O-N 3.07Å; D164-F168 WeakPolarHBondContact O-CB 3.35Å; D164-F168 PolarHBondContact O-N 3.44Å; D164-F201 HydrophobicContact CB-CE2 4.42Å; D164-F201 HydrophobicContact CB-CZ 4.29Å |
| 165 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 175.3 | 179.9 | 66.8 | 0 | 0 | 0 | 112.2 | L151 C161 E162 K163 F168 L169 I188 V190 L198 F201 | L151-L165 HydrophobicContact CD1-CD2 4.24Å; C161-L165 WeakPolarHBondContact O-CB 3.38Å; C161-L165 PolarHBondContact O-N 2.93Å; E162-L165 PolarHBondContact O-N 3.05Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 3.39Å; L165-F168 PolarHBondContact O-N 2.75Å; L165-L169 HydrophobicContact CD1-CD1 4.08Å; L165-L169 HydrophobicContact CD1-CG 4.21Å; L165-L169 HydrophobicContact CG-CD1 3.95Å; L165-L169 HydrophobicContact CG-CG 4.43Å; L165-L169 VanDerWaalsContact O-CG 3.26Å; L165-L169 WeakPolarHBondContact O-CG 3.48Å; L165-L169 PolarHBondContact O-N 3.34Å; L165-I188 HydrophobicContact CD2-CG2 4.2Å; L165-V190 HydrophobicContact CD2-CG2 4.01Å; L165-L198 HydrophobicContact CD1-CD2 3.57Å; L165-L198 HydrophobicContact CD2-CD2 3.84Å; L165-L198 HydrophobicContact CG-CD2 4.13Å; L165-F201 HydrophobicContact CB-CE1 4.17Å; L165-F201 HydrophobicContact CB-CE2 4.4Å; L165-F201 HydrophobicContact CB-CZ 4.03Å; L165-F201 HydrophobicContact CD1-CB 3.95Å; L165-F201 HydrophobicContact CD1-CD1 3.45Å; L165-F201 VanDerWaalsContact CD1-CD1 3.45Å; L165-F201 HydrophobicContact CD1-CD2 4.04Å; L165-F201 HydrophobicContact CD1-CE1 3.84Å; L165-F201 HydrophobicContact CD1-CE2 4.37Å; L165-F201 HydrophobicContact CD1-CG 3.54Å; L165-F201 HydrophobicContact CD1-CZ 4.26Å |
| 166 | A | 97 | Very high | 96.3 | Very high | 13 Ų | 13 | 61.9 Ų | 61.9 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E162 K163 F168 L169 E170 T179 | E162-A166 VanDerWaalsContact O-CB 3.32Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 3.42Å; K163-A166 PolarHBondContact O-N 3.12Å; A166-F168 VanDerWaalsContact C-N 3.3Å; A166-F168 PolarHBondContact O-N 2.7Å; A166-L169 PolarHBondContact O-N 2.95Å; A166-L169 VanDerWaalsContact O-N 3.16Å; A166-E170 WeakPolarHBondContact O-CG 3.17Å; A166-E170 PolarHBondContact O-N 3.37Å; A166-T179 HydrophobicContact CB-CG2 4.34Å |
| 167 | N | 97 | Very high | 96.3 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.8 | -40.5 | 176.6 | -72.1 | -30.2 | 0 | 0 | 0 | 112.8 | K163 K171 | K163-N167 WeakPolarHBondContact O-CB 3.07Å; K163-N167 PolarHBondContact O-N 3.48Å; K163-N167 PolarHBondContact O-ND2 3.41Å; K163-N167 VanDerWaalsContact O-ND2 3.08Å; N167-K171 WeakPolarHBondContact O-CD 3.44Å; N167-K171 WeakPolarHBondContact O-CG 3.36Å; N167-K171 PolarHBondContact O-N 3.48Å |
| 168 | F | 97.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 176.4 | 174.9 | -98.1 | 0 | 0 | 0 | 111.9 | D164 L165 A166 K171 R172 A200 F201 E204 | D164-F168 WeakPolarHBondContact O-CB 3.35Å; D164-F168 PolarHBondContact O-N 3.44Å; L165-F168 PolarHBondContact O-N 2.75Å; A166-F168 VanDerWaalsContact C-N 3.3Å; A166-F168 PolarHBondContact O-N 2.7Å; F168-K171 PolarHBondContact O-N 3.29Å; F168-R172 WeakPolarHBondContact O-CB 2.88Å; F168-R172 PolarHBondContact O-N 2.69Å; F168-R172 VanDerWaalsContact O-N 3.09Å; F168-A200 HydrophobicContact CZ-CB 4.48Å; F168-F201 HydrophobicContact CB-CD2 3.63Å; F168-F201 HydrophobicContact CB-CE2 4.03Å; F168-F201 HydrophobicContact CD1-CB 3.57Å; F168-F201 AromaticContact CD1-CD2 3.74Å; F168-F201 HydrophobicContact CD1-CD2 3.74Å; F168-F201 HydrophobicContact CD1-CG 4.09Å; F168-F201 HydrophobicContact CD2-CD2 4.19Å; F168-F201 HydrophobicContact CE1-CB 3.59Å; F168-F201 HydrophobicContact CE1-CD2 4.44Å; F168-F201 HydrophobicContact CG-CB 4.26Å; F168-F201 AromaticContact CG-CD2 3.57Å; F168-F201 HydrophobicContact CG-CD2 3.57Å; F168-F201 HydrophobicContact CG-CE2 4.42Å; F168-F201 HydrophobicContact CG-CG 4.37Å; F168-F201 HydrophobicContact CZ-CB 4.31Å; F168-E204 VanDerWaalsContact CE2-CD 3.45Å; F168-E204 WeakPolarHBondContact CE2-OE1 3.48Å; F168-E204 WeakPolarHBondContact CE2-OE2 3.48Å; F168-E204 WeakPolarHBondContact CZ-OE1 3.47Å |
| 169 | L | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.7 | -41.2 | -177.7 | -66.9 | 173.2 | 0 | 0 | 0 | 112.1 | L165 A166 K171 R172 L173 V177 V190 A193 D197 L198 | L165-L169 HydrophobicContact CD1-CD1 4.08Å; L165-L169 HydrophobicContact CD1-CG 4.21Å; L165-L169 HydrophobicContact CG-CD1 3.95Å; L165-L169 HydrophobicContact CG-CG 4.43Å; L165-L169 VanDerWaalsContact O-CG 3.26Å; L165-L169 WeakPolarHBondContact O-CG 3.48Å; L165-L169 PolarHBondContact O-N 3.34Å; A166-L169 PolarHBondContact O-N 2.95Å; A166-L169 VanDerWaalsContact O-N 3.16Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 2.94Å; L169-R172 PolarHBondContact O-N 3.15Å; L169-L173 HydrophobicContact CB-CD1 4.46Å; L169-L173 WeakPolarHBondContact O-CB 2.93Å; L169-L173 WeakPolarHBondContact O-CG 3.17Å; L169-L173 PolarHBondContact O-N 3.3Å; L169-V177 HydrophobicContact CB-CG2 3.94Å; L169-V177 HydrophobicContact CD1-CG1 4.16Å; L169-V190 HydrophobicContact CD1-CG1 3.77Å; L169-A193 HydrophobicContact CD1-CB 3.97Å; L169-A193 HydrophobicContact CD2-CB 4.14Å; L169-D197 HydrophobicContact CD2-CB 3.69Å; L169-L198 HydrophobicContact CD1-CD2 3.98Å; L169-L198 HydrophobicContact CD2-CD2 4.43Å |
| 170 | E | 96.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 62.8 Ų | 62.8 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.7 | -69.6 | -169.9 | 157 | 0 | 0 | 111.5 | A166 R172 G174 S176 V177 | A166-E170 WeakPolarHBondContact O-CG 3.17Å; A166-E170 PolarHBondContact O-N 3.37Å; E170-R172 VanDerWaalsContact C-N 3.35Å; E170-R172 PolarHBondContact O-N 3.07Å; E170-G174 WeakPolarHBondContact O-CA 3.48Å; E170-G174 PolarHBondContact O-N 3.45Å; E170-S176 WeakPolarHBondContact OE1-CA 3.45Å; E170-S176 WeakPolarHBondContact OE1-CB 3.29Å; E170-S176 PolarHBondContact OE1-OG 2.06Å; E170-V177 HydrophobicContact CG-CG2 4.33Å |
| 171 | K | 96.5 | Very high | 96.3 | Very high | 182 Ų | 182 | 63.6 Ų | 63.6 | 79% | 0.791 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.9 | -38.1 | 174.4 | -73.9 | 172.2 | -174.8 | 176.6 | 0 | 112.9 | N167 F168 L169 | N167-K171 WeakPolarHBondContact O-CD 3.44Å; N167-K171 WeakPolarHBondContact O-CG 3.36Å; N167-K171 PolarHBondContact O-N 3.48Å; F168-K171 PolarHBondContact O-N 3.29Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 2.94Å |
| 172 | R | 95.7 | Very high | 96.4 | Very high | 116 Ų | 116 | 65.7 Ų | 65.7 | 44% | 0.438 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -80.2 | -40.2 | -176.4 | 179.7 | 174.9 | 165.1 | 132.8 | -7.3 | 113 | F168 L169 E170 D197 | F168-R172 WeakPolarHBondContact O-CB 2.88Å; F168-R172 PolarHBondContact O-N 2.69Å; F168-R172 VanDerWaalsContact O-N 3.09Å; L169-R172 PolarHBondContact O-N 3.15Å; E170-R172 VanDerWaalsContact C-N 3.35Å; E170-R172 PolarHBondContact O-N 3.07Å; R172-D197 IonicContact CZ-OD1 2.88Å; R172-D197 VanDerWaalsContact CZ-OD1 3.25Å; R172-D197 IonicContact NE-OD1 3.48Å; R172-D197 PolarHBondContact NE-OD1 3.3Å; R172-D197 IonicContact NH2-OD1 3.61Å; R172-D197 PolarHBondContact NH2-OD1 2.79Å |
| 173 | L | 95.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 70 Ų | 70 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -93.3 | -24.3 | -174.2 | -61.7 | 174.9 | 0 | 0 | 0 | 113.1 | L169 H175 V177 A193 | L169-L173 HydrophobicContact CB-CD1 4.46Å; L169-L173 WeakPolarHBondContact O-CB 2.93Å; L169-L173 WeakPolarHBondContact O-CG 3.17Å; L169-L173 PolarHBondContact O-N 3.3Å; L173-H175 VanDerWaalsContact C-N 3.28Å; L173-H175 PolarHBondContact O-N 2.94Å; L173-V177 HydrophobicContact CD1-CG2 4.11Å; L173-A193 HydrophobicContact CD1-CB 4.15Å |
| 174 | G | 94.4 | Very high | 96.3 | Very high | 71 Ų | 71 | 69.7 Ų | 69.7 | 73% | 0.732 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 75.7 | 11.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E170 | E170-G174 WeakPolarHBondContact O-CA 3.48Å; E170-G174 PolarHBondContact O-N 3.45Å |
| 175 | H | 93.4 | Very high | 96.2 | Very high | 91 Ų | 91 | 72.3 Ų | 72.3 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -134.3 | 158.3 | 172.2 | 64.2 | 73.7 | 0 | 0 | 0 | 110.5 | L173 G192 | L173-H175 VanDerWaalsContact C-N 3.28Å; L173-H175 PolarHBondContact O-N 2.94Å; H175-G192 PolarHBondContact CE1-O 3.43Å |
| 176 | S | 93.4 | Very high | 96.2 | Very high | 93 Ų | 93 | 72.7 Ų | 72.7 | 65% | 0.65 | 39% | 0.392 | S | S | * | . | trans | -68.3 | 145.6 | 176.5 | -171 | 0 | 0 | 0 | 0 | 111.2 | E170 | E170-S176 WeakPolarHBondContact OE1-CA 3.45Å; E170-S176 WeakPolarHBondContact OE1-CB 3.29Å; E170-S176 PolarHBondContact OE1-OG 2.06Å | ||
| 177 | V | 95.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 73.2 Ų | 73.2 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | trans | -116.7 | 132.4 | -174.1 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | L169 E170 L173 T179 V190 | L169-V177 HydrophobicContact CB-CG2 3.94Å; L169-V177 HydrophobicContact CD1-CG1 4.16Å; E170-V177 HydrophobicContact CG-CG2 4.33Å; L173-V177 HydrophobicContact CD1-CG2 4.11Å; V177-T179 HydrophobicContact CG1-CG2 4.39Å; V177-V190 HydrophobicContact CG1-CG1 3.18Å | ||
| 178 | V | 95.6 | Very high | 96.3 | Very high | 99 Ų | 99 | 69.4 Ų | 69.4 | 60% | 0.6 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.4 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | R191 | V178-R191 HydrophobicContact CB-CB 4.27Å; V178-R191 PolarHBondContact O-N 3.23Å |
| 179 | T | 97.4 | Very high | 96.3 | Very high | 37 Ų | 37 | 70.3 Ų | 70.3 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.1 | -179.3 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | E162 A166 V177 R189 V190 | E162-T179 HydrophobicContact CG-CG2 4.28Å; E162-T179 WeakPolarHBondContact OE1-CB 3.26Å; E162-T179 PolarHBondContact OE1-OG1 3.19Å; A166-T179 HydrophobicContact CB-CG2 4.34Å; V177-T179 HydrophobicContact CG1-CG2 4.39Å; T179-R189 CarbonylContact C-O 3.49Å; T179-R189 WeakPolarHBondContact CA-O 3.14Å; T179-V190 HydrophobicContact CG2-CG2 4.36Å |
| 180 | H | 97.1 | Very high | 96.3 | Very high | 114 Ų | 114 | 70.3 Ų | 70.3 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 118.9 | 171.2 | 174.3 | -72.8 | 0 | 0 | 0 | 109.5 | R189 | H180-R189 HydrophobicContact CB-CB 4.32Å; H180-R189 PolarHBondContact N-O 3.41Å; H180-R189 PolarHBondContact O-N 3.19Å |
| 181 | V | 98 | Very high | 96.2 | Very high | 33 Ų | 33 | 72.5 Ų | 72.5 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | V158 F159 E162 | V158-V181 HydrophobicContact CB-CG1 4.24Å; V158-V181 HydrophobicContact CG1-CG1 3.59Å; F159-V181 HydrophobicContact CD1-CB 4.47Å; F159-V181 HydrophobicContact CD1-CG1 4.26Å; F159-V181 HydrophobicContact CD1-CG2 4.38Å; F159-V181 HydrophobicContact CE1-CB 4.16Å; F159-V181 HydrophobicContact CE1-CG1 3.99Å; F159-V181 HydrophobicContact CZ-CG1 4.44Å; E162-V181 HydrophobicContact CB-CG2 3.67Å; E162-V181 HydrophobicContact CG-CG2 3.51Å |
| 182 | N | 97.5 | Very high | 96 | Very high | 45 Ų | 45 | 66 Ų | 66 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 91.6 | 165.7 | -175.4 | -28 | 0 | 0 | 0 | 107.8 | P184 Q185 G186 K187 | N182-P184 VanDerWaalsContact OD1-CD 3.23Å; N182-P184 WeakPolarHBondContact OD1-CD 3.3Å; N182-P184 VanDerWaalsContact OD1-CG 3.27Å; N182-P184 WeakPolarHBondContact OD1-CG 3.42Å; N182-Q185 HydrophobicContact CB-CB 4.49Å; N182-Q185 PolarHBondContact ND2-OE1 3.07Å; N182-Q185 PolarHBondContact O-N 2.85Å; N182-Q185 PolarHBondContact OD1-N 3Å; N182-G186 PolarHBondContact O-N 3.47Å; N182-G186 VanDerWaalsContact O-N 3.13Å; N182-K187 HydrophobicContact CB-CB 4.37Å; N182-K187 PolarHBondContact N-O 3.49Å; N182-K187 PolarHBondContact O-N 2.97Å |
| 183 | E | 96.5 | Very high | 96 | Very high | 123 Ų | 123 | 60.7 Ų | 60.7 | 58% | 0.575 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -56.1 | -52.5 | -178.1 | -175.4 | -165.6 | 171.6 | 0 | 0 | 113.2 | F159 Q185 G186 | F159-E183 HydrophobicContact CE2-CB 4.49Å; F159-E183 HydrophobicContact CE2-CG 4.39Å; F159-E183 HydrophobicContact CZ-CB 4.49Å; E183-Q185 PolarHBondContact O-N 3.13Å; E183-G186 PolarHBondContact O-N 2.88Å |
| 184 | P | 95.9 | Very high | 96 | Very high | 123 Ų | 123 | 61.2 Ų | 61.2 | 80% | 0.799 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -64.6 | -20.3 | -175.7 | 23.8 | -33.9 | 0 | 0 | 0 | 113.2 | N182 | N182-P184 VanDerWaalsContact OD1-CD 3.23Å; N182-P184 WeakPolarHBondContact OD1-CD 3.3Å; N182-P184 VanDerWaalsContact OD1-CG 3.27Å; N182-P184 WeakPolarHBondContact OD1-CG 3.42Å |
| 185 | Q | 96 | Very high | 96.1 | Very high | 128 Ų | 128 | 61.8 Ų | 61.8 | 60% | 0.598 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -95.8 | -6.1 | 174.5 | -64.3 | -173 | -8.6 | 0 | 0 | 113.9 | N182 E183 K187 | N182-Q185 HydrophobicContact CB-CB 4.49Å; N182-Q185 PolarHBondContact ND2-OE1 3.07Å; N182-Q185 PolarHBondContact O-N 2.85Å; N182-Q185 PolarHBondContact OD1-N 3Å; E183-Q185 PolarHBondContact O-N 3.13Å; Q185-K187 VanDerWaalsContact C-N 3.26Å; Q185-K187 HydrophobicContact CB-CB 4.03Å; Q185-K187 PolarHBondContact O-N 3.22Å |
| 186 | G | 97 | Very high | 96.2 | Very high | 7 Ų | 7 | 60 Ų | 60 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 43.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K152 K153 V154 N182 E183 | K152-G186 CarbonylContact C-O 3.54Å; K153-G186 PolarHBondContact N-O 2.82Å; K153-G186 VanDerWaalsContact N-O 3.11Å; V154-G186 PolarHBondContact N-O 3.19Å; V154-G186 WeakPolarHBondContact O-CA 3.48Å; N182-G186 PolarHBondContact O-N 3.47Å; N182-G186 VanDerWaalsContact O-N 3.13Å; E183-G186 PolarHBondContact O-N 2.88Å |
| 187 | K | 97.7 | Very high | 96.4 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 11% | 0.109 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.9 | -170.2 | -178.7 | -175.9 | -176.7 | -177 | 0 | 111.2 | I150 L151 K152 N182 Q185 R189 | I150-K187 HydrophobicContact CG2-CD 4.2Å; I150-K187 HydrophobicContact CG2-CG 3.98Å; L151-K187 CarbonylContact O-C 3.58Å; L151-K187 VanDerWaalsContact O-CA 3.32Å; L151-K187 WeakPolarHBondContact O-CA 3.45Å; K152-K187 HydrophobicContact CG-CG 4.32Å; N182-K187 HydrophobicContact CB-CB 4.37Å; N182-K187 PolarHBondContact N-O 3.49Å; N182-K187 PolarHBondContact O-N 2.97Å; Q185-K187 VanDerWaalsContact C-N 3.26Å; Q185-K187 HydrophobicContact CB-CB 4.03Å; Q185-K187 PolarHBondContact O-N 3.22Å; K187-R189 VanDerWaalsContact NZ-NH2 3.1Å |
| 188 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.2 | 174.4 | -55.3 | 169.6 | 0 | 0 | 0 | 108.1 | I150 L151 V154 V158 C161 E162 L165 V190 | I150-I188 WeakPolarHBondContact CA-O 3.34Å; L151-I188 HydrophobicContact CB-CB 4.41Å; L151-I188 PolarHBondContact N-O 3.34Å; L151-I188 PolarHBondContact O-N 2.95Å; V154-I188 HydrophobicContact CG2-CD1 4.14Å; V154-I188 HydrophobicContact CG2-CG1 4.45Å; V158-I188 HydrophobicContact CG1-CD1 4.07Å; V158-I188 HydrophobicContact CG1-CG1 3.87Å; C161-I188 HydrophobicContact CB-CD1 4.17Å; E162-I188 HydrophobicContact CB-CD1 3.99Å; E162-I188 HydrophobicContact CG-CG2 4.36Å; L165-I188 HydrophobicContact CD2-CG2 4.2Å; I188-V190 HydrophobicContact CG2-CG2 4.09Å |
| 189 | R | 97.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 21% | 0.208 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138 | 172 | -70.9 | -177.1 | 154.4 | 153.8 | -3.6 | 109.2 | E130 R132 I150 T179 H180 K187 | E130-R189 IonicContact OE1-NH2 3.82Å; E130-R189 IonicContact OE2-CZ 3.65Å; E130-R189 IonicContact OE2-NE 3.72Å; E130-R189 IonicContact OE2-NH2 2.83Å; E130-R189 PolarHBondContact OE2-NH2 2.75Å; R132-R189 VanDerWaalsContact CZ-NH2 3.25Å; I150-R189 HydrophobicContact CD1-CG 4.43Å; I150-R189 HydrophobicContact CG1-CG 4.22Å; T179-R189 CarbonylContact C-O 3.49Å; T179-R189 WeakPolarHBondContact CA-O 3.14Å; H180-R189 HydrophobicContact CB-CB 4.32Å; H180-R189 PolarHBondContact N-O 3.41Å; H180-R189 PolarHBondContact O-N 3.19Å; K187-R189 VanDerWaalsContact NZ-NH2 3.1Å |
| 190 | V | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.6 | -176.6 | -172 | 0 | 0 | 0 | 0 | 108.6 | L148 A149 L165 L169 V177 T179 I188 A193 L198 | L148-V190 WeakPolarHBondContact CA-O 3.43Å; A149-V190 PolarHBondContact N-O 3.33Å; A149-V190 PolarHBondContact O-N 2.77Å; L165-V190 HydrophobicContact CD2-CG2 4.01Å; L169-V190 HydrophobicContact CD1-CG1 3.77Å; V177-V190 HydrophobicContact CG1-CG1 3.18Å; T179-V190 HydrophobicContact CG2-CG2 4.36Å; I188-V190 HydrophobicContact CG2-CG2 4.09Å; V190-A193 HydrophobicContact CG1-CB 3.68Å; V190-L198 HydrophobicContact CG2-CD2 4.22Å |
| 191 | R | 95.3 | Very high | 96.5 | Very high | 117 Ų | 117 | 47.8 Ų | 47.8 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.5 | 172.3 | -178.6 | -175.6 | -176.8 | 163.2 | 11.8 | 108.9 | D134 V146 L148 V178 | D134-R191 IonicContact OD2-CZ 3.69Å; D134-R191 IonicContact OD2-NH1 3.8Å; D134-R191 IonicContact OD2-NH2 2.89Å; D134-R191 PolarHBondContact OD2-NH2 3.02Å; V146-R191 HydrophobicContact CG1-CG 3.87Å; L148-R191 HydrophobicContact CD2-CB 3.75Å; L148-R191 HydrophobicContact CD2-CG 4.12Å; V178-R191 HydrophobicContact CB-CB 4.27Å; V178-R191 PolarHBondContact O-N 3.23Å |
| 192 | G | 91.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 46% | 0.464 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 86.9 | 8.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H175 | H175-G192 PolarHBondContact CE1-O 3.43Š|
| 193 | A | 95.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 5% | 0.05 | 26% | 0.258 | C | S | . | . | trans | -120.2 | 150.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | A149 L169 L173 V190 | A149-A193 WeakPolarHBondContact CB-O 3.45Å; L169-A193 HydrophobicContact CD1-CB 3.97Å; L169-A193 HydrophobicContact CD2-CB 4.14Å; L173-A193 HydrophobicContact CD1-CB 4.15Å; V190-A193 HydrophobicContact CG1-CB 3.68Å | ||
| 194 | T | 95.5 | Very high | 96.2 | Very high | 65 Ų | 65 | 47.5 Ų | 47.5 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | trans | -89.9 | 164.4 | 175.9 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | A196 D197 L198 | T194-A196 PolarHBondContact O-N 2.98Å; T194-A196 PolarHBondContact OG1-N 3.28Å; T194-D197 WeakPolarHBondContact CB-OD2 3.37Å; T194-D197 PolarHBondContact N-OD2 2.92Å; T194-D197 PolarHBondContact O-N 2.87Å; T194-D197 VanDerWaalsContact OG1-CG 3.32Å; T194-D197 PolarHBondContact OG1-N 3.18Å; T194-D197 PolarHBondContact OG1-OD2 3.41Å; T194-L198 PolarHBondContact O-N 3.37Å | ||
| 195 | K | 96.1 | Very high | 96.1 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 36% | 0.361 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -53.9 | -39.5 | 171.4 | 170 | 173.7 | 176.1 | -165.4 | 0 | 112.1 | V127 D197 L198 E199 | V127-K195 HydrophobicContact CB-CG 4.42Å; V127-K195 HydrophobicContact CG1-CB 4.34Å; V127-K195 HydrophobicContact CG1-CG 3.75Å; V127-K195 WeakPolarHBondContact O-CE 3.41Å; K195-D197 VanDerWaalsContact C-N 3.31Å; K195-D197 PolarHBondContact O-N 3.01Å; K195-L198 PolarHBondContact O-N 3.01Å; K195-E199 WeakPolarHBondContact CE-OE1 3.35Å; K195-E199 HydrophobicContact CG-CG 4.47Å; K195-E199 IonicContact NZ-OE1 3.25Å; K195-E199 PolarHBondContact NZ-OE1 3.48Å; K195-E199 WeakPolarHBondContact O-CG 3.45Å; K195-E199 PolarHBondContact O-N 2.79Å |
| 196 | A | 96.2 | Very high | 95.9 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 44% | 0.438 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.5 | -32.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T194 E199 A200 | T194-A196 PolarHBondContact O-N 2.98Å; T194-A196 PolarHBondContact OG1-N 3.28Å; A196-E199 PolarHBondContact O-N 3.47Å; A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 2.98Å |
| 197 | D | 96.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.3 | -38.8 | 178.3 | -57.1 | -51.5 | 0 | 0 | 0 | 111.5 | L169 R172 T194 K195 A200 F201 | L169-D197 HydrophobicContact CD2-CB 3.69Å; R172-D197 IonicContact CZ-OD1 2.88Å; R172-D197 VanDerWaalsContact CZ-OD1 3.25Å; R172-D197 IonicContact NE-OD1 3.48Å; R172-D197 PolarHBondContact NE-OD1 3.3Å; R172-D197 IonicContact NH2-OD1 3.61Å; R172-D197 PolarHBondContact NH2-OD1 2.79Å; T194-D197 WeakPolarHBondContact CB-OD2 3.37Å; T194-D197 PolarHBondContact N-OD2 2.92Å; T194-D197 PolarHBondContact O-N 2.87Å; T194-D197 VanDerWaalsContact OG1-CG 3.32Å; T194-D197 PolarHBondContact OG1-N 3.18Å; T194-D197 PolarHBondContact OG1-OD2 3.41Å; K195-D197 VanDerWaalsContact C-N 3.31Å; K195-D197 PolarHBondContact O-N 3.01Å; D197-A200 PolarHBondContact O-N 3.2Å; D197-F201 PolarHBondContact O-N 3.23Å; D197-F201 VanDerWaalsContact O-N 3.12Å |
| 198 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 172.6 | -62.7 | -171.6 | 0 | 0 | 0 | 112 | V127 A149 L151 L165 L169 V190 T194 K195 A200 F201 L202 | V127-L198 HydrophobicContact CG1-CB 3.72Å; V127-L198 HydrophobicContact CG1-CD1 3.75Å; V127-L198 HydrophobicContact CG1-CG 4.31Å; V127-L198 HydrophobicContact CG2-CB 4.17Å; A149-L198 HydrophobicContact CB-CD1 3.45Å; A149-L198 VanDerWaalsContact CB-CD1 3.45Å; A149-L198 HydrophobicContact CB-CG 4.03Å; L151-L198 HydrophobicContact CB-CD1 4.35Å; L165-L198 HydrophobicContact CD1-CD2 3.57Å; L165-L198 HydrophobicContact CD2-CD2 3.84Å; L165-L198 HydrophobicContact CG-CD2 4.13Å; L169-L198 HydrophobicContact CD1-CD2 3.98Å; L169-L198 HydrophobicContact CD2-CD2 4.43Å; V190-L198 HydrophobicContact CG2-CD2 4.22Å; T194-L198 PolarHBondContact O-N 3.37Å; K195-L198 PolarHBondContact O-N 3.01Å; L198-A200 VanDerWaalsContact C-N 3.31Å; L198-A200 PolarHBondContact O-N 3Å; L198-F201 WeakPolarHBondContact O-CB 3.41Å; L198-F201 PolarHBondContact O-N 3.06Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.25Å; L198-L202 VanDerWaalsContact O-N 3.14Å |
| 199 | E | 97 | Very high | 95.4 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 175.9 | -72.7 | 178.7 | 156.8 | 0 | 0 | 111.5 | F125 V127 K195 A196 L202 L203 | F125-E199 HydrophobicContact CB-CG 4.48Å; F125-E199 HydrophobicContact CD2-CB 4.35Å; F125-E199 HydrophobicContact CD2-CG 4.16Å; V127-E199 HydrophobicContact CB-CG 4.24Å; V127-E199 HydrophobicContact CG2-CG 4.25Å; K195-E199 WeakPolarHBondContact CE-OE1 3.35Å; K195-E199 HydrophobicContact CG-CG 4.47Å; K195-E199 IonicContact NZ-OE1 3.25Å; K195-E199 PolarHBondContact NZ-OE1 3.48Å; K195-E199 WeakPolarHBondContact O-CG 3.45Å; K195-E199 PolarHBondContact O-N 2.79Å; A196-E199 PolarHBondContact O-N 3.47Å; E199-L202 PolarHBondContact O-N 2.59Å; E199-L203 WeakPolarHBondContact O-CB 3.38Å; E199-L203 VanDerWaalsContact O-CG 3.3Å; E199-L203 WeakPolarHBondContact O-CG 3.31Å; E199-L203 PolarHBondContact O-N 3.46Å |
| 200 | A | 96.3 | Very high | 95.3 | Very high | 16 Ų | 16 | 42.8 Ų | 42.8 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F168 A196 D197 L198 L202 L203 E204 | F168-A200 HydrophobicContact CZ-CB 4.48Å; A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 2.98Å; D197-A200 PolarHBondContact O-N 3.2Å; L198-A200 VanDerWaalsContact C-N 3.31Å; L198-A200 PolarHBondContact O-N 3Å; A200-L202 VanDerWaalsContact C-N 3.28Å; A200-L202 PolarHBondContact O-N 3.36Å; A200-L203 PolarHBondContact O-N 3Å; A200-E204 WeakPolarHBondContact O-CG 3.43Å; A200-E204 PolarHBondContact O-N 2.88Å |
| 201 | F | 97 | Very high | 95.2 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.1 | -45 | 173.2 | 171.6 | -104.9 | 0 | 0 | 0 | 112.2 | D164 L165 F168 D197 L198 E204 N205 | D164-F201 HydrophobicContact CB-CE2 4.42Å; D164-F201 HydrophobicContact CB-CZ 4.29Å; L165-F201 HydrophobicContact CB-CE1 4.17Å; L165-F201 HydrophobicContact CB-CE2 4.4Å; L165-F201 HydrophobicContact CB-CZ 4.03Å; L165-F201 HydrophobicContact CD1-CB 3.95Å; L165-F201 HydrophobicContact CD1-CD1 3.45Å; L165-F201 VanDerWaalsContact CD1-CD1 3.45Å; L165-F201 HydrophobicContact CD1-CD2 4.04Å; L165-F201 HydrophobicContact CD1-CE1 3.84Å; L165-F201 HydrophobicContact CD1-CE2 4.37Å; L165-F201 HydrophobicContact CD1-CG 3.54Å; L165-F201 HydrophobicContact CD1-CZ 4.26Å; F168-F201 HydrophobicContact CB-CD2 3.63Å; F168-F201 HydrophobicContact CB-CE2 4.03Å; F168-F201 HydrophobicContact CD1-CB 3.57Å; F168-F201 AromaticContact CD1-CD2 3.74Å; F168-F201 HydrophobicContact CD1-CD2 3.74Å; F168-F201 HydrophobicContact CD1-CG 4.09Å; F168-F201 HydrophobicContact CD2-CD2 4.19Å; F168-F201 HydrophobicContact CE1-CB 3.59Å; F168-F201 HydrophobicContact CE1-CD2 4.44Å; F168-F201 HydrophobicContact CG-CB 4.26Å; F168-F201 AromaticContact CG-CD2 3.57Å; F168-F201 HydrophobicContact CG-CD2 3.57Å; F168-F201 HydrophobicContact CG-CE2 4.42Å; F168-F201 HydrophobicContact CG-CG 4.37Å; F168-F201 HydrophobicContact CZ-CB 4.31Å; D197-F201 PolarHBondContact O-N 3.23Å; D197-F201 VanDerWaalsContact O-N 3.12Å; L198-F201 WeakPolarHBondContact O-CB 3.41Å; L198-F201 PolarHBondContact O-N 3.06Å; F201-E204 PolarHBondContact O-N 2.9Å; F201-N205 WeakPolarHBondContact CD2-ND2 3.4Å; F201-N205 WeakPolarHBondContact CE2-ND2 3.31Å; F201-N205 WeakPolarHBondContact CZ-ND2 3.47Å; F201-N205 PolarHBondContact O-N 3.07Å; F201-N205 PolarHBondContact O-ND2 3.04Å; F201-N205 VanDerWaalsContact O-ND2 3.09Å |
| 202 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.8 | -36.9 | -179.1 | -66.5 | 174.6 | 0 | 0 | 0 | 112.1 | V117 F125 V127 L151 L198 E199 A200 G206 F207 | V117-L202 HydrophobicContact CB-CD2 3.93Å; V117-L202 HydrophobicContact CG1-CD1 4.38Å; V117-L202 HydrophobicContact CG1-CD2 3.92Å; V117-L202 HydrophobicContact CG2-CD2 3.84Å; F125-L202 HydrophobicContact CB-CD1 3.91Å; F125-L202 HydrophobicContact CD1-CB 3.71Å; F125-L202 HydrophobicContact CD1-CD1 3.57Å; F125-L202 HydrophobicContact CD1-CG 4.25Å; F125-L202 HydrophobicContact CE1-CB 3.48Å; F125-L202 VanDerWaalsContact CE1-CB 3.48Å; F125-L202 HydrophobicContact CE1-CD1 4.25Å; F125-L202 HydrophobicContact CE1-CG 4.45Å; F125-L202 HydrophobicContact CE2-CB 4.49Å; F125-L202 HydrophobicContact CG-CB 4.3Å; F125-L202 HydrophobicContact CG-CD1 3.85Å; F125-L202 HydrophobicContact CZ-CB 3.91Å; V127-L202 HydrophobicContact CG2-CD1 3.54Å; L151-L202 HydrophobicContact CD1-CD1 4.43Å; L151-L202 HydrophobicContact CD1-CD2 4.24Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.25Å; L198-L202 VanDerWaalsContact O-N 3.14Å; E199-L202 PolarHBondContact O-N 2.59Å; A200-L202 VanDerWaalsContact C-N 3.28Å; A200-L202 PolarHBondContact O-N 3.36Å; L202-G206 PolarHBondContact O-N 3.14Å; L202-F207 HydrophobicContact CD2-CB 4.23Å; L202-F207 HydrophobicContact CD2-CD2 3.71Å; L202-F207 HydrophobicContact CD2-CG 4.34Å; L202-F207 PolarHBondContact O-N 3.34Å; L202-F207 VanDerWaalsContact O-N 3.07Å |
| 203 | L | 94.8 | Very high | 95.4 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 39% | 0.393 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.6 | -44 | 175.3 | -76.5 | 168.5 | 0 | 0 | 0 | 112.3 | I104 F125 E199 A200 G206 | I104-L203 HydrophobicContact CB-CD2 4.37Å; I104-L203 HydrophobicContact CD1-CD2 4.09Å; F125-L203 HydrophobicContact CE2-CD1 4.39Å; F125-L203 HydrophobicContact CE2-CD2 3.67Å; F125-L203 HydrophobicContact CE2-CG 3.64Å; F125-L203 HydrophobicContact CZ-CD2 3.67Å; F125-L203 HydrophobicContact CZ-CG 3.8Å; E199-L203 WeakPolarHBondContact O-CB 3.38Å; E199-L203 VanDerWaalsContact O-CG 3.3Å; E199-L203 WeakPolarHBondContact O-CG 3.31Å; E199-L203 PolarHBondContact O-N 3.46Å; A200-L203 PolarHBondContact O-N 3Å; L203-G206 PolarHBondContact O-N 3.07Å |
| 204 | E | 94.3 | Very high | 95.4 | Very high | 121 Ų | 121 | 43 Ų | 43 | 57% | 0.565 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.8 | -44.9 | 179.6 | -73.8 | -177 | -150.4 | 0 | 0 | 111.8 | F168 A200 F201 G206 | F168-E204 VanDerWaalsContact CE2-CD 3.45Å; F168-E204 WeakPolarHBondContact CE2-OE1 3.48Å; F168-E204 WeakPolarHBondContact CE2-OE2 3.48Å; F168-E204 WeakPolarHBondContact CZ-OE1 3.47Å; A200-E204 WeakPolarHBondContact O-CG 3.43Å; A200-E204 PolarHBondContact O-N 2.88Å; F201-E204 PolarHBondContact O-N 2.9Å; E204-G206 VanDerWaalsContact C-N 3.26Å; E204-G206 PolarHBondContact O-N 3.18Å |
| 205 | N | 93.2 | Very high | 95.4 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.8 | -24.4 | 175.4 | -70.5 | -42.9 | 0 | 0 | 0 | 112.8 | F201 F207 | F201-N205 WeakPolarHBondContact CD2-ND2 3.4Å; F201-N205 WeakPolarHBondContact CE2-ND2 3.31Å; F201-N205 WeakPolarHBondContact CZ-ND2 3.47Å; F201-N205 PolarHBondContact O-N 3.07Å; F201-N205 PolarHBondContact O-ND2 3.04Å; F201-N205 VanDerWaalsContact O-ND2 3.09Å; N205-F207 HydrophobicContact CB-CD2 3.55Å; N205-F207 HydrophobicContact CB-CE2 3.36Å; N205-F207 HydrophobicContact CB-CZ 4.22Å |
| 206 | G | 92.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 33.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K107 L202 L203 E204 | K107-G206 WeakPolarHBondContact CB-O 3.41Å; K107-G206 PolarHBondContact N-O 3.19Å; L202-G206 PolarHBondContact O-N 3.14Å; L203-G206 PolarHBondContact O-N 3.07Å; E204-G206 VanDerWaalsContact C-N 3.26Å; E204-G206 PolarHBondContact O-N 3.18Å |
| 207 | F | 92.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | trans | -76.6 | 0 | 172.1 | -63.8 | -64.3 | 0 | 0 | 0 | 112.9 | P106 Y115 Y116 V117 R119 F125 L202 N205 | P106-F207 WeakPolarHBondContact CB-OXT 3.45Å; Y115-F207 AromaticContact CD2-CZ 3.92Å; Y115-F207 HydrophobicContact CD2-CZ 3.92Å; Y115-F207 AromaticContact CE2-CE2 3.8Å; Y115-F207 HydrophobicContact CE2-CE2 3.8Å; Y115-F207 AromaticContact CE2-CZ 3.48Å; Y115-F207 HydrophobicContact CE2-CZ 3.48Å; Y115-F207 VanDerWaalsContact CE2-CZ 3.48Å; Y116-F207 AromaticContact CD2-CD1 3.92Å; Y116-F207 HydrophobicContact CD2-CD1 3.92Å; Y116-F207 HydrophobicContact CD2-CE1 4.13Å; Y116-F207 HydrophobicContact CE2-CD1 4.2Å; V117-F207 HydrophobicContact CB-CB 4.18Å; V117-F207 HydrophobicContact CB-CD1 4.39Å; V117-F207 HydrophobicContact CB-CD2 4.41Å; V117-F207 HydrophobicContact CB-CG 4.09Å; V117-F207 HydrophobicContact CG2-CD2 4.34Å; V117-F207 HydrophobicContact CG2-CG 4.46Å; R119-F207 PolarHBondContact NE-O 3.44Å; R119-F207 VanDerWaalsContact NE-O 3.15Å; R119-F207 PolarHBondContact NE-OXT 3.31Å; R119-F207 PolarHBondContact NH2-O 3.5Å; F125-F207 VanDerWaalsContact CE1-O 3.29Å; F125-F207 WeakPolarHBondContact CE1-O 3.4Å; L202-F207 HydrophobicContact CD2-CB 4.23Å; L202-F207 HydrophobicContact CD2-CD2 3.71Å; L202-F207 HydrophobicContact CD2-CG 4.34Å; L202-F207 PolarHBondContact O-N 3.34Å; L202-F207 VanDerWaalsContact O-N 3.07Å; N205-F207 HydrophobicContact CB-CD2 3.55Å; N205-F207 HydrophobicContact CB-CE2 3.36Å; N205-F207 HydrophobicContact CB-CZ 4.22Å |
Retrieved 207 of 207 residues in 661.3 ms
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