| 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 | 41.4 | Very low | 50.4 | Low | 250 Ų | 250 | 191.4 Ų | 191.4 | 100% | 1.232 | 90% | 0.902 | S | S | * | * | 0 | 60.2 | 0 | -82.4 | -103.8 | -104.2 | 0 | 0 | 110.3 | |||||
| 2 | E | 43.1 | Very low | 50.8 | Low | 185 Ų | 185 | 195.8 Ų | 195.8 | 86% | 0.864 | 90% | 0.904 | S | S | * | * | trans | -134.9 | 108.1 | 167.7 | -92.1 | -175.2 | 151.5 | 0 | 0 | 107.7 | R4 | E2-R4 PolarHBondContact O-N 3.14Š| ||
| 3 | K | 44.7 | Very low | 51 | Low | 216 Ų | 216 | 186 Ų | 186 | 94% | 0.939 | 89% | 0.888 | S | S | * | * | trans | -82.5 | 90.9 | 178.4 | -71.2 | 178.9 | 179 | 175 | 0 | 109.1 | A5 | K3-A5 PolarHBondContact O-N 3.03Å; K3-A5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | R | 48.8 | Very low | 51.1 | Low | 237 Ų | 237 | 182.9 Ų | 182.9 | 89% | 0.894 | 88% | 0.879 | S | S | * | * | trans | -71.5 | 99.8 | 165.8 | -86.3 | -178 | 158.5 | -172.4 | -5.6 | 110 | E2 K6 | E2-R4 PolarHBondContact O-N 3.14Å; R4-K6 PolarHBondContact O-N 2.98Å | ||
| 5 | A | 50 | Low | 51.5 | Low | 93 Ų | 93 | 178.3 Ų | 178.3 | 77% | 0.769 | 88% | 0.884 | S | S | * | * | trans | -67.4 | 119.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.9 | K3 L7 | K3-A5 PolarHBondContact O-N 3.03Å; K3-A5 VanDerWaalsContact O-N 3.13Å; A5-L7 PolarHBondContact O-N 3.48Å | ||
| 6 | K | 56.3 | Low | 52 | Low | 204 Ų | 204 | 172.8 Ų | 172.8 | 89% | 0.887 | 88% | 0.875 | S | S | * | * | trans | -74.2 | 111.9 | 173.8 | -69.2 | 178.4 | 179.1 | 176.1 | 0 | 109 | R4 K8 | R4-K6 PolarHBondContact O-N 2.98Å; K6-K8 PolarHBondContact O-N 2.95Å | ||
| 7 | L | 52.6 | Low | 52.4 | Low | 169 Ų | 169 | 170.2 Ų | 170.2 | 89% | 0.885 | 87% | 0.869 | S | S | * | * | trans | -54.2 | 120.5 | 163.9 | -105.9 | 78.2 | 0 | 0 | 0 | 109.1 | A5 K9 | A5-L7 PolarHBondContact O-N 3.48Å; L7-K9 PolarHBondContact O-N 2.86Å | ||
| 8 | K | 53.1 | Low | 52.6 | Low | 199 Ų | 199 | 164.6 Ų | 164.6 | 87% | 0.865 | 86% | 0.861 | S | S | * | * | trans | -70.2 | 118 | 166 | -70.8 | 179.7 | 178.9 | 178 | 0 | 107.2 | K6 E10 | K6-K8 PolarHBondContact O-N 2.95Å; K8-E10 PolarHBondContact O-N 2.99Å | ||
| 9 | K | 56.8 | Low | 52.7 | Low | 199 Ų | 199 | 165 Ų | 165 | 87% | 0.865 | 86% | 0.862 | S | S | * | * | trans | -63.3 | 114.1 | 167.8 | -82.4 | 179.2 | 173.9 | -179.2 | 0 | 108.1 | L7 I11 | L7-K9 PolarHBondContact O-N 2.86Å; K9-I11 PolarHBondContact O-N 3.27Å | ||
| 10 | E | 53.2 | Low | 53.2 | Low | 193 Ų | 193 | 159.5 Ų | 159.5 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -63.9 | 121.6 | 165.4 | -68.7 | -170.9 | 156.3 | 0 | 0 | 108.7 | K8 R12 | K8-E10 PolarHBondContact O-N 2.99Å; E10-R12 PolarHBondContact O-N 3.04Å | ||
| 11 | I | 55 | Low | 53.9 | Low | 160 Ų | 160 | 160.4 Ų | 160.4 | 82% | 0.821 | 84% | 0.838 | S | S | * | * | trans | -80.6 | 114.4 | 171.6 | -62.7 | 166.9 | 0 | 0 | 0 | 105.9 | K9 G13 | K9-I11 PolarHBondContact O-N 3.27Å; I11-G13 PolarHBondContact O-N 3.18Å | ||
| 12 | R | 54.7 | Low | 55.3 | Low | 245 Ų | 245 | 156 Ų | 156 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -58.5 | 106.7 | 166.9 | -96.8 | 178.8 | 168.8 | 144.3 | -3.5 | 108.5 | E10 | E10-R12 PolarHBondContact O-N 3.04Š| ||
| 13 | G | 53 | Low | 55.9 | Low | 68 Ų | 68 | 158.4 Ų | 158.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -79.5 | 127.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I11 A15 | I11-G13 PolarHBondContact O-N 3.18Å; G13-A15 PolarHBondContact O-N 2.91Å | ||
| 14 | N | 52.9 | Low | 56.8 | Low | 143 Ų | 143 | 154 Ų | 154 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -61.7 | 129.9 | 170 | -75.5 | -33.4 | 0 | 0 | 0 | 110.2 | A16 | N14-A16 PolarHBondContact O-N 3Š| ||
| 15 | A | 57.3 | Low | 57.2 | Low | 114 Ų | 114 | 148.8 Ų | 148.8 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 10.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G13 | G13-A15 PolarHBondContact O-N 2.91Š|
| 16 | A | 60.1 | Low | 57.6 | Low | 90 Ų | 90 | 155.2 Ų | 155.2 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -0.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N14 G18 | N14-A16 PolarHBondContact O-N 3Å; A16-G18 PolarHBondContact O-N 2.89Å; A16-G18 VanDerWaalsContact O-N 3.16Å |
| 17 | V | 57.5 | Low | 58 | Low | 128 Ų | 128 | 148.7 Ų | 148.7 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 68.7 | -173.8 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 18 | G | 56.4 | Low | 58.6 | Low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.5 | -7.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | A16 | A16-G18 PolarHBondContact O-N 2.89Å; A16-G18 VanDerWaalsContact O-N 3.16Å |
| 19 | I | 54.3 | Low | 59.3 | Low | 172 Ų | 172 | 145.8 Ų | 145.8 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -114 | 92.3 | -173.8 | -51.4 | 165.1 | 0 | 0 | 0 | 108.4 | ||||
| 20 | S | 63.7 | Low | 59.6 | Low | 54 Ų | 54 | 139.9 Ų | 139.9 | 38% | 0.378 | 77% | 0.765 | S | S | . | * | trans | -101.1 | 127.7 | 164.5 | 170.2 | 0 | 0 | 0 | 0 | 108 | F22 R23 | S20-F22 PolarHBondContact O-N 3.27Å; S20-F22 PolarHBondContact OG-N 3.04Å; S20-R23 PolarHBondContact O-N 3.16Å | ||
| 21 | E | 67.3 | Low | 60.4 | Low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.3 | -24.9 | 177 | -40.3 | 175.9 | -145 | 0 | 0 | 112.8 | ||
| 22 | F | 70 | Confident | 61 | Low | 156 Ų | 156 | 135.1 Ų | 135.1 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 12.1 | -175 | -62.1 | -76 | 0 | 0 | 0 | 114.4 | S20 L24 | S20-F22 PolarHBondContact O-N 3.27Å; S20-F22 PolarHBondContact OG-N 3.04Å; F22-L24 HydrophobicContact CB-CD1 3.77Å; F22-L24 HydrophobicContact CB-CG 4.35Å; F22-L24 PolarHBondContact O-N 3.34Å |
| 23 | R | 56.7 | Low | 62.1 | Low | 237 Ų | 237 | 130 Ų | 130 | 89% | 0.894 | 74% | 0.736 | S | S | * | * | trans | 49.9 | 25.9 | -176.4 | -60.5 | -170.1 | -171.8 | -178.5 | 3.7 | 114.5 | S20 C25 | S20-R23 PolarHBondContact O-N 3.16Å; R23-C25 PolarHBondContact O-N 3.42Å; R23-C25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | L | 64.2 | Low | 63.4 | Low | 124 Ų | 124 | 132 Ų | 132 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | trans | -82 | 92.6 | 176.9 | -80.2 | 153.1 | 0 | 0 | 0 | 109.1 | F22 R26 | F22-L24 HydrophobicContact CB-CD1 3.77Å; F22-L24 HydrophobicContact CB-CG 4.35Å; F22-L24 PolarHBondContact O-N 3.34Å; L24-R26 PolarHBondContact O-N 2.96Å | ||
| 25 | C | 55.8 | Low | 64.8 | Low | 126 Ų | 126 | 128 Ų | 128 | 85% | 0.851 | 71% | 0.707 | S | S | * | * | trans | -62 | 107 | 168.9 | -69.1 | 0 | 0 | 0 | 0 | 109.4 | R23 S27 | R23-C25 PolarHBondContact O-N 3.42Å; R23-C25 VanDerWaalsContact O-N 3.14Å; C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 3.44Å | ||
| 26 | R | 59.7 | Low | 66.1 | Low | 229 Ų | 229 | 126.1 Ų | 126.1 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | -69.5 | 86.7 | 173.1 | -69.5 | -176.1 | 177.1 | 178.7 | 0.1 | 109.5 | L24 | L24-R26 PolarHBondContact O-N 2.96Š| ||
| 27 | S | 64.4 | Low | 67.2 | Low | 67 Ų | 67 | 126.1 Ų | 126.1 | 47% | 0.469 | 67% | 0.668 | S | S | . | * | trans | -62.2 | 132.7 | 165.4 | 165.8 | 0 | 0 | 0 | 0 | 109.2 | C25 K29 A30 | C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 3.44Å; S27-K29 PolarHBondContact O-N 3.45Å; S27-K29 PolarHBondContact OG-N 3.01Å; S27-A30 WeakPolarHBondContact O-CB 3.27Å; S27-A30 PolarHBondContact O-N 2.88Å | ||
| 28 | S | 65.6 | Low | 68.4 | Low | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -16.1 | 176.2 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 29 | K | 67.8 | Low | 69.6 | Low | 191 Ų | 191 | 124.1 Ų | 124.1 | 83% | 0.83 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -8.5 | 176.1 | -60.9 | -178.6 | -178.8 | 176.6 | 0 | 113.6 | S27 Q31 | S27-K29 PolarHBondContact O-N 3.45Å; S27-K29 PolarHBondContact OG-N 3.01Å; K29-Q31 VanDerWaalsContact C-N 3.33Å; K29-Q31 PolarHBondContact O-N 3.45Å |
| 30 | A | 63.2 | Low | 71 | Confident | 75 Ų | 75 | 120 Ų | 120 | 62% | 0.62 | 62% | 0.618 | S | S | * | * | trans | -90.9 | 54.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S27 A32 | S27-A30 WeakPolarHBondContact O-CB 3.27Å; S27-A30 PolarHBondContact O-N 2.88Å; A30-A32 PolarHBondContact O-N 3.49Å | ||
| 31 | Q | 68.7 | Low | 71.9 | Confident | 179 Ų | 179 | 119.1 Ų | 119.1 | 84% | 0.836 | 61% | 0.614 | S | S | * | * | trans | -86.1 | 103.4 | 169.3 | -67.6 | -167.6 | -44.1 | 0 | 0 | 109.5 | K29 K33 | K29-Q31 VanDerWaalsContact C-N 3.33Å; K29-Q31 PolarHBondContact O-N 3.45Å; Q31-K33 PolarHBondContact O-N 2.97Å | ||
| 32 | A | 68.8 | Low | 72.3 | Confident | 73 Ų | 73 | 119.1 Ų | 119.1 | 60% | 0.603 | 61% | 0.611 | S | S | * | * | trans | -69.2 | 118 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | A30 L37 | A30-A32 PolarHBondContact O-N 3.49Å; A32-L37 HydrophobicContact CB-CD1 4.1Å; A32-L37 HydrophobicContact CB-CG 4.24Å | ||
| 33 | K | 77.2 | Confident | 72.6 | Confident | 138 Ų | 138 | 123.6 Ų | 123.6 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | trans | -67.3 | 138.3 | 172.3 | -64.3 | 176.8 | -179.3 | 174.6 | 0 | 108.3 | Q31 E35 D36 L37 | Q31-K33 PolarHBondContact O-N 2.97Å; K33-E35 PolarHBondContact O-N 3.34Å; K33-D36 PolarHBondContact O-N 3.09Å; K33-L37 PolarHBondContact O-N 3.19Å | ||
| 34 | L | 80.8 | Confident | 73.6 | Confident | 110 Ų | 110 | 114.4 Ų | 114.4 | 58% | 0.576 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -53.2 | -32.6 | 176.6 | -176.9 | 63.3 | 0 | 0 | 0 | 111.7 | D36 L37 V38 L54 | L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D36 PolarHBondContact O-N 2.92Å; L34-L37 PolarHBondContact O-N 3.34Å; L34-V38 HydrophobicContact CG-CG2 4.5Å; L34-V38 VanDerWaalsContact O-CG2 3.31Å; L34-V38 WeakPolarHBondContact O-CG2 3.44Å; L34-V38 PolarHBondContact O-N 3.32Å; L34-L54 HydrophobicContact CB-CD1 4.29Å; L34-L54 HydrophobicContact CD2-CD1 3.68Å; L34-L54 HydrophobicContact CG-CD1 3.81Å |
| 35 | E | 81.5 | Confident | 74.4 | Confident | 59 Ų | 59 | 118.9 Ų | 118.9 | 28% | 0.276 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.7 | -38.4 | 176.7 | -42.8 | -173.7 | 157.1 | 0 | 0 | 112.6 | K33 K39 L54 R58 | K33-E35 PolarHBondContact O-N 3.34Å; E35-K39 WeakPolarHBondContact O-CB 3.44Å; E35-K39 WeakPolarHBondContact O-CG 3Å; E35-K39 PolarHBondContact O-N 3.46Å; E35-L54 HydrophobicContact CB-CD2 4.37Å; E35-L54 HydrophobicContact CG-CD1 4.38Å; E35-L54 HydrophobicContact CG-CD2 4.26Å; E35-R58 IonicContact OE1-CZ 3.85Å; E35-R58 IonicContact OE1-NE 2.66Å; E35-R58 PolarHBondContact OE1-NE 3.04Å; E35-R58 IonicContact OE1-NH2 2.72Å; E35-R58 PolarHBondContact OE1-NH2 2.78Å; E35-R58 IonicContact OE2-CZ 2.79Å; E35-R58 IonicContact OE2-NH2 2.75Å; E35-R58 PolarHBondContact OE2-NH2 3.41Å |
| 36 | D | 83.9 | Confident | 75.6 | Confident | 75 Ų | 75 | 120.4 Ų | 120.4 | 40% | 0.401 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -77.2 | -31.3 | -179 | -61.3 | -28.1 | 0 | 0 | 0 | 110.7 | K33 L34 K39 S40 | K33-D36 PolarHBondContact O-N 3.09Å; L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D36 PolarHBondContact O-N 2.92Å; D36-K39 PolarHBondContact O-N 3.47Å; D36-K39 IonicContact OD1-NZ 3.42Å; D36-K39 PolarHBondContact OD1-NZ 2.75Å; D36-S40 WeakPolarHBondContact O-CB 3.16Å; D36-S40 PolarHBondContact O-N 2.72Å; D36-S40 PolarHBondContact O-OG 2.83Å |
| 37 | L | 83.2 | Confident | 76.7 | Confident | 90 Ų | 90 | 112 Ų | 112 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.4 | -44.2 | 169.8 | -72.9 | 157.7 | 0 | 0 | 0 | 112 | A32 K33 L34 K39 S40 A41 | A32-L37 HydrophobicContact CB-CD1 4.1Å; A32-L37 HydrophobicContact CB-CG 4.24Å; K33-L37 PolarHBondContact O-N 3.19Å; L34-L37 PolarHBondContact O-N 3.34Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.02Å; L37-S40 PolarHBondContact O-N 3.29Å; L37-S40 PolarHBondContact O-OG 3.32Å; L37-A41 WeakPolarHBondContact O-CB 3.19Å; L37-A41 PolarHBondContact O-N 3.06Å; L37-A41 VanDerWaalsContact O-N 3.09Å |
| 38 | V | 83.8 | Confident | 77.6 | Confident | 23 Ų | 23 | 110.9 Ų | 110.9 | 14% | 0.139 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -66.7 | -33.5 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 111 | L34 L50 | L34-V38 HydrophobicContact CG-CG2 4.5Å; L34-V38 VanDerWaalsContact O-CG2 3.31Å; L34-V38 WeakPolarHBondContact O-CG2 3.44Å; L34-V38 PolarHBondContact O-N 3.32Å; V38-L50 HydrophobicContact CG1-CB 4.44Å |
| 39 | K | 81.5 | Confident | 78.7 | Confident | 132 Ų | 132 | 107.9 Ų | 107.9 | 57% | 0.574 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.7 | -36.7 | 174.1 | -74.3 | 169 | -168.2 | 166.5 | 0 | 113.4 | E35 D36 L37 | E35-K39 WeakPolarHBondContact O-CB 3.44Å; E35-K39 WeakPolarHBondContact O-CG 3Å; E35-K39 PolarHBondContact O-N 3.46Å; D36-K39 PolarHBondContact O-N 3.47Å; D36-K39 IonicContact OD1-NZ 3.42Å; D36-K39 PolarHBondContact OD1-NZ 2.75Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.02Å |
| 40 | S | 83.5 | Confident | 79.5 | Confident | 86 Ų | 86 | 102.1 Ų | 102.1 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76.8 | -24.5 | -179.9 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | D36 L37 K42 | D36-S40 WeakPolarHBondContact O-CB 3.16Å; D36-S40 PolarHBondContact O-N 2.72Å; D36-S40 PolarHBondContact O-OG 2.83Å; L37-S40 PolarHBondContact O-N 3.29Å; L37-S40 PolarHBondContact O-OG 3.32Å; S40-K42 PolarHBondContact O-N 2.79Å |
| 41 | A | 81.7 | Confident | 80.6 | Confident | 36 Ų | 36 | 105.2 Ų | 105.2 | 30% | 0.298 | 54% | 0.535 | S | S | . | . | trans | -73.7 | 39.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | L37 R43 A44 I47 | L37-A41 WeakPolarHBondContact O-CB 3.19Å; L37-A41 PolarHBondContact O-N 3.06Å; L37-A41 VanDerWaalsContact O-N 3.09Å; A41-R43 PolarHBondContact O-N 3.03Å; A41-A44 HydrophobicContact CB-CB 4.34Å; A41-A44 PolarHBondContact O-N 3.03Å; A41-I47 WeakPolarHBondContact O-CD1 3.35Å; A41-I47 WeakPolarHBondContact O-CG1 3.17Å | ||
| 42 | K | 75.8 | Confident | 81.5 | Confident | 180 Ų | 180 | 101.5 Ų | 101.5 | 78% | 0.783 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.7 | -175.3 | -66.9 | -173.9 | -178.6 | 178.5 | 0 | 115.6 | S40 I47 | S40-K42 PolarHBondContact O-N 2.79Å; K42-I47 VanDerWaalsContact C-CD1 3.41Å; K42-I47 VanDerWaalsContact O-CD1 3.27Å; K42-I47 WeakPolarHBondContact O-CD1 3.45Å |
| 43 | R | 76.5 | Confident | 82.4 | Confident | 250 Ų | 250 | 104.2 Ų | 104.2 | 94% | 0.943 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -3.7 | 179.3 | -72.8 | -178.2 | 172.8 | 171.7 | -2.3 | 114.5 | A41 K45 | A41-R43 PolarHBondContact O-N 3.03Å; R43-K45 PolarHBondContact O-N 2.89Å |
| 44 | A | 78.7 | Confident | 82.8 | Confident | 43 Ų | 43 | 98.8 Ų | 98.8 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | trans | -75.1 | 127.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A41 K46 I47 | A41-A44 HydrophobicContact CB-CB 4.34Å; A41-A44 PolarHBondContact O-N 3.03Å; A44-K46 PolarHBondContact O-N 3.36Å; A44-I47 HydrophobicContact CB-CD1 4.43Å; A44-I47 HydrophobicContact CB-CG1 3.94Å; A44-I47 WeakPolarHBondContact O-CD1 3.31Å; A44-I47 WeakPolarHBondContact O-CG1 3.18Å; A44-I47 PolarHBondContact O-N 3.47Å | ||
| 45 | K | 79.6 | Confident | 83 | Confident | 218 Ų | 218 | 95.7 Ų | 95.7 | 95% | 0.948 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20 | -179.4 | -68.4 | -178.8 | 178.2 | -179.5 | 0 | 114.3 | R43 | R43-K45 PolarHBondContact O-N 2.89Š|
| 46 | K | 82.1 | Confident | 83.3 | Confident | 159 Ų | 159 | 95.3 Ų | 95.3 | 69% | 0.691 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 26.4 | -173.5 | -62.6 | -174.1 | 178.6 | -179.1 | 0 | 114.4 | A44 G48 A49 L50 | A44-K46 PolarHBondContact O-N 3.36Å; K46-G48 VanDerWaalsContact C-N 3.27Å; K46-G48 PolarHBondContact O-N 3.33Å; K46-A49 PolarHBondContact O-N 3.07Å; K46-L50 WeakPolarHBondContact O-CG 3.31Å; K46-L50 PolarHBondContact O-N 3.39Å |
| 47 | I | 83.6 | Confident | 83.3 | Confident | 51 Ų | 51 | 93.7 Ų | 93.7 | 26% | 0.262 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.8 | -39.4 | 179.8 | -67.8 | 151.6 | 0 | 0 | 0 | 112.4 | A41 K42 A44 L50 K51 | A41-I47 WeakPolarHBondContact O-CD1 3.35Å; A41-I47 WeakPolarHBondContact O-CG1 3.17Å; K42-I47 VanDerWaalsContact C-CD1 3.41Å; K42-I47 VanDerWaalsContact O-CD1 3.27Å; K42-I47 WeakPolarHBondContact O-CD1 3.45Å; A44-I47 HydrophobicContact CB-CD1 4.43Å; A44-I47 HydrophobicContact CB-CG1 3.94Å; A44-I47 WeakPolarHBondContact O-CD1 3.31Å; A44-I47 WeakPolarHBondContact O-CG1 3.18Å; A44-I47 PolarHBondContact O-N 3.47Å; I47-L50 PolarHBondContact O-N 3.09Å; I47-K51 VanDerWaalsContact O-CB 3.31Å; I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 PolarHBondContact O-N 3.33Å |
| 48 | G | 83.2 | Confident | 83.1 | Confident | 45 Ų | 45 | 95.6 Ų | 95.6 | 46% | 0.464 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.9 | -54.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | K46 L50 K51 D52 | K46-G48 VanDerWaalsContact C-N 3.27Å; K46-G48 PolarHBondContact O-N 3.33Å; G48-L50 VanDerWaalsContact C-N 3.31Å; G48-L50 PolarHBondContact O-N 2.86Å; G48-K51 WeakPolarHBondContact O-CB 3.41Å; G48-K51 PolarHBondContact O-N 3.46Å; G48-K51 VanDerWaalsContact O-N 3.09Å; G48-D52 PolarHBondContact O-N 3.41Å |
| 49 | A | 87.1 | Confident | 83 | Confident | 53 Ų | 53 | 102.9 Ų | 102.9 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | K46 D52 Q53 | K46-A49 PolarHBondContact O-N 3.07Å; A49-D52 PolarHBondContact O-N 3.42Å; A49-Q53 WeakPolarHBondContact O-CB 3.42Å; A49-Q53 VanDerWaalsContact O-CG 3.31Å; A49-Q53 WeakPolarHBondContact O-CG 3.47Å; A49-Q53 PolarHBondContact O-N 2.84Å |
| 50 | L | 85.9 | Confident | 82.9 | Confident | 70 Ų | 70 | 106 Ų | 106 | 37% | 0.366 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 175.2 | -74.1 | 170.7 | 0 | 0 | 0 | 112.1 | V38 K46 I47 G48 L54 | V38-L50 HydrophobicContact CG1-CB 4.44Å; K46-L50 WeakPolarHBondContact O-CG 3.31Å; K46-L50 PolarHBondContact O-N 3.39Å; I47-L50 PolarHBondContact O-N 3.09Å; G48-L50 VanDerWaalsContact C-N 3.31Å; G48-L50 PolarHBondContact O-N 2.86Å; L50-L54 VanDerWaalsContact O-CB 3.22Å; L50-L54 WeakPolarHBondContact O-CB 3.22Å; L50-L54 PolarHBondContact O-N 2.86Å |
| 51 | K | 85.6 | Confident | 82.1 | Confident | 140 Ų | 140 | 106.8 Ų | 106.8 | 61% | 0.609 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.9 | -38.8 | 175.2 | -170.2 | -179.6 | 178.9 | -174 | 0 | 110.9 | I47 G48 L54 S55 | I47-K51 VanDerWaalsContact O-CB 3.31Å; I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 PolarHBondContact O-N 3.33Å; G48-K51 WeakPolarHBondContact O-CB 3.41Å; G48-K51 PolarHBondContact O-N 3.46Å; G48-K51 VanDerWaalsContact O-N 3.09Å; K51-L54 PolarHBondContact O-N 2.84Å; K51-S55 WeakPolarHBondContact O-CB 3.31Å; K51-S55 PolarHBondContact O-N 3.37Å |
| 52 | D | 87.6 | Confident | 81.7 | Confident | 101 Ų | 101 | 109 Ų | 109 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68 | -45.9 | 175.8 | -66.1 | -22.5 | 0 | 0 | 0 | 111.2 | G48 A49 L54 S55 V56 | G48-D52 PolarHBondContact O-N 3.41Å; A49-D52 PolarHBondContact O-N 3.42Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.34Å; D52-S55 CarbonylContact O-C 3.57Å; D52-S55 WeakPolarHBondContact O-CA 3.31Å; D52-S55 WeakPolarHBondContact O-CB 3.4Å; D52-S55 PolarHBondContact O-N 3.18Å; D52-S55 PolarHBondContact O-OG 2.96Å; D52-V56 WeakPolarHBondContact O-CG2 3.41Å; D52-V56 PolarHBondContact O-N 3.38Å |
| 53 | Q | 87.6 | Confident | 81.8 | Confident | 130 Ų | 130 | 108 Ų | 108 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 172.8 | -75.8 | 179.9 | -8.1 | 0 | 0 | 111.7 | A49 S55 V56 A57 | A49-Q53 WeakPolarHBondContact O-CB 3.42Å; A49-Q53 VanDerWaalsContact O-CG 3.31Å; A49-Q53 WeakPolarHBondContact O-CG 3.47Å; A49-Q53 PolarHBondContact O-N 2.84Å; Q53-S55 VanDerWaalsContact C-N 3.31Å; Q53-S55 PolarHBondContact O-N 2.82Å; Q53-V56 PolarHBondContact O-N 3.14Å; Q53-A57 WeakPolarHBondContact O-CB 3.5Å; Q53-A57 PolarHBondContact O-N 2.98Å |
| 54 | L | 86.1 | Confident | 82.2 | Confident | 24 Ų | 24 | 103.9 Ų | 103.9 | 13% | 0.126 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 173.8 | -172.9 | 81.5 | 0 | 0 | 0 | 111.1 | L34 E35 L50 K51 D52 R58 | L34-L54 HydrophobicContact CB-CD1 4.29Å; L34-L54 HydrophobicContact CD2-CD1 3.68Å; L34-L54 HydrophobicContact CG-CD1 3.81Å; E35-L54 HydrophobicContact CB-CD2 4.37Å; E35-L54 HydrophobicContact CG-CD1 4.38Å; E35-L54 HydrophobicContact CG-CD2 4.26Å; L50-L54 VanDerWaalsContact O-CB 3.22Å; L50-L54 WeakPolarHBondContact O-CB 3.22Å; L50-L54 PolarHBondContact O-N 2.86Å; K51-L54 PolarHBondContact O-N 2.84Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.34Å; L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.27Å; L54-R58 VanDerWaalsContact O-CG 3.27Å; L54-R58 WeakPolarHBondContact O-CG 3.33Å; L54-R58 PolarHBondContact O-N 3.25Å |
| 55 | S | 84.8 | Confident | 82.6 | Confident | 45 Ų | 45 | 106.8 Ų | 106.8 | 32% | 0.315 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.7 | -41.5 | 177.6 | 83.6 | 0 | 0 | 0 | 0 | 112.2 | K51 D52 Q53 R58 K59 | K51-S55 WeakPolarHBondContact O-CB 3.31Å; K51-S55 PolarHBondContact O-N 3.37Å; D52-S55 CarbonylContact O-C 3.57Å; D52-S55 WeakPolarHBondContact O-CA 3.31Å; D52-S55 WeakPolarHBondContact O-CB 3.4Å; D52-S55 PolarHBondContact O-N 3.18Å; D52-S55 PolarHBondContact O-OG 2.96Å; Q53-S55 VanDerWaalsContact C-N 3.31Å; Q53-S55 PolarHBondContact O-N 2.82Å; S55-R58 WeakPolarHBondContact O-CB 3.41Å; S55-R58 PolarHBondContact O-N 3.39Å; S55-K59 WeakPolarHBondContact O-CG 3.16Å; S55-K59 PolarHBondContact O-N 2.69Å |
| 56 | V | 86.8 | Confident | 83.1 | Confident | 51 Ų | 51 | 101.2 Ų | 101.2 | 31% | 0.309 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | D52 Q53 K59 R60 | D52-V56 WeakPolarHBondContact O-CG2 3.41Å; D52-V56 PolarHBondContact O-N 3.38Å; Q53-V56 PolarHBondContact O-N 3.14Å; V56-K59 PolarHBondContact O-N 3.13Å; V56-R60 HydrophobicContact CG1-CG 4.27Å; V56-R60 WeakPolarHBondContact O-CB 3.35Å; V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 3.21Å |
| 57 | A | 83.7 | Confident | 83.6 | Confident | 41 Ų | 41 | 99.6 Ų | 99.6 | 34% | 0.339 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.6 | -52.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q53 K59 R60 N61 | Q53-A57 WeakPolarHBondContact O-CB 3.5Å; Q53-A57 PolarHBondContact O-N 2.98Å; A57-K59 PolarHBondContact O-N 3.24Å; A57-K59 VanDerWaalsContact O-N 3.14Å; A57-R60 CarbonylContact O-C 3.59Å; A57-R60 PolarHBondContact O-N 2.77Å; A57-N61 WeakPolarHBondContact O-CB 3.42Å; A57-N61 PolarHBondContact O-N 2.78Å; A57-N61 PolarHBondContact O-ND2 3.44Å; A57-N61 PolarHBondContact O-OD1 2.76Å |
| 58 | R | 80.9 | Confident | 84.1 | Confident | 129 Ų | 129 | 102.1 Ų | 102.1 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -51.3 | -39.1 | 173.8 | -80 | 174.7 | 168 | -174.2 | -7.6 | 113.5 | E35 L54 S55 N61 | E35-R58 IonicContact OE1-CZ 3.85Å; E35-R58 IonicContact OE1-NE 2.66Å; E35-R58 PolarHBondContact OE1-NE 3.04Å; E35-R58 IonicContact OE1-NH2 2.72Å; E35-R58 PolarHBondContact OE1-NH2 2.78Å; E35-R58 IonicContact OE2-CZ 2.79Å; E35-R58 IonicContact OE2-NH2 2.75Å; E35-R58 PolarHBondContact OE2-NH2 3.41Å; L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.27Å; L54-R58 VanDerWaalsContact O-CG 3.27Å; L54-R58 WeakPolarHBondContact O-CG 3.33Å; L54-R58 PolarHBondContact O-N 3.25Å; S55-R58 WeakPolarHBondContact O-CB 3.41Å; S55-R58 PolarHBondContact O-N 3.39Å; R58-N61 WeakPolarHBondContact CA-ND2 3.38Å |
| 59 | K | 81 | Confident | 84.7 | Confident | 177 Ų | 177 | 106 Ų | 106 | 77% | 0.77 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.9 | -37.7 | 175.2 | -71.6 | 177.5 | -179.6 | -179.4 | 0 | 113.4 | S55 V56 A57 N61 | S55-K59 WeakPolarHBondContact O-CG 3.16Å; S55-K59 PolarHBondContact O-N 2.69Å; V56-K59 PolarHBondContact O-N 3.13Å; A57-K59 PolarHBondContact O-N 3.24Å; A57-K59 VanDerWaalsContact O-N 3.14Å; K59-N61 VanDerWaalsContact C-N 3.31Å |
| 60 | R | 78.7 | Confident | 85.2 | Confident | 196 Ų | 196 | 113.1 Ų | 113.1 | 74% | 0.74 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -84.7 | -1.5 | 178.5 | -69.3 | -176 | -179.6 | 141.7 | 2.8 | 113.4 | V56 A57 A62 | V56-R60 HydrophobicContact CG1-CG 4.27Å; V56-R60 WeakPolarHBondContact O-CB 3.35Å; V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 3.21Å; A57-R60 CarbonylContact O-C 3.59Å; A57-R60 PolarHBondContact O-N 2.77Å; R60-A62 PolarHBondContact O-N 2.89Å |
| 61 | N | 67.8 | Low | 85.7 | Confident | 103 Ų | 103 | 115.5 Ų | 115.5 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | trans | -69.9 | 33.4 | 176.3 | -73.3 | -12.8 | 0 | 0 | 0 | 112.9 | A57 R58 K59 I63 | A57-N61 WeakPolarHBondContact O-CB 3.42Å; A57-N61 PolarHBondContact O-N 2.78Å; A57-N61 PolarHBondContact O-ND2 3.44Å; A57-N61 PolarHBondContact O-OD1 2.76Å; R58-N61 WeakPolarHBondContact CA-ND2 3.38Å; K59-N61 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 2.79Å | ||
| 62 | A | 71.9 | Confident | 86.3 | Confident | 84 Ų | 84 | 110.6 Ų | 110.6 | 69% | 0.694 | 58% | 0.579 | S | S | * | * | trans | -70 | 81.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 107 | R60 L64 | R60-A62 PolarHBondContact O-N 2.89Å; A62-L64 PolarHBondContact O-N 3.01Å | ||
| 63 | I | 78.6 | Confident | 86.7 | Confident | 157 Ų | 157 | 106.9 Ų | 106.9 | 81% | 0.805 | 56% | 0.562 | S | S | * | * | trans | -54.7 | 113.4 | 174.4 | -61.1 | 168.6 | 0 | 0 | 0 | 106.6 | N61 S65 | N61-I63 PolarHBondContact O-N 2.79Å; I63-S65 PolarHBondContact O-N 3.47Å; I63-S65 VanDerWaalsContact O-N 3.15Å | ||
| 64 | L | 84.6 | Confident | 87.2 | Confident | 164 Ų | 164 | 102.7 Ų | 102.7 | 86% | 0.859 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 123.3 | 173.2 | -66 | 175.9 | 0 | 0 | 0 | 107.6 | A62 S66 | A62-L64 PolarHBondContact O-N 3.01Å; L64-S66 PolarHBondContact O-N 3.15Å |
| 65 | S | 87.3 | Confident | 87.7 | Confident | 104 Ų | 104 | 109.3 Ų | 109.3 | 73% | 0.727 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.4 | 174.8 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | I63 | I63-S65 PolarHBondContact O-N 3.47Å; I63-S65 VanDerWaalsContact O-N 3.15Å |
| 66 | S | 90.4 | Very high | 88.3 | Confident | 102 Ų | 102 | 111.2 Ų | 111.2 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 135.5 | 171.8 | 56.8 | 0 | 0 | 0 | 0 | 109.9 | L64 L68 | L64-S66 PolarHBondContact O-N 3.15Å; S66-L68 PolarHBondContact O-N 3.37Å |
| 67 | P | 93.4 | Very high | 88.9 | Confident | 124 Ų | 124 | 117.7 Ų | 117.7 | 81% | 0.805 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 135.7 | -176.4 | 23.5 | -33.9 | 0 | 0 | 0 | 110.7 | ||
| 68 | L | 93.2 | Very high | 89.5 | Confident | 105 Ų | 105 | 123.8 Ų | 123.8 | 55% | 0.55 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 154.3 | 177 | -66.8 | 170.8 | 0 | 0 | 0 | 110.7 | S66 A72 A73 I76 | S66-L68 PolarHBondContact O-N 3.37Å; L68-A72 HydrophobicContact CB-CB 4.22Å; L68-A73 HydrophobicContact CB-CB 4.43Å; L68-I76 HydrophobicContact CD1-CD1 3.41Å; L68-I76 VanDerWaalsContact CD1-CD1 3.41Å |
| 69 | H | 96.6 | Very high | 90.4 | Very high | 127 Ų | 127 | 120.4 Ų | 120.4 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 143.7 | 171.1 | 178.9 | 66.2 | 0 | 0 | 0 | 110.8 | Q71 A72 A73 | H69-Q71 PolarHBondContact O-N 3.42Å; H69-A72 WeakPolarHBondContact O-CA 3.46Å; H69-A72 WeakPolarHBondContact O-CB 3.49Å; H69-A72 PolarHBondContact O-N 2.99Å; H69-A73 PolarHBondContact O-N 2.9Å |
| 70 | R | 96.4 | Very high | 91.2 | Very high | 201 Ų | 201 | 114.5 Ų | 114.5 | 76% | 0.758 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -45.6 | -46.6 | -174 | -170.4 | -179.5 | 101.5 | 110.1 | -2.2 | 113 | A73 S74 | R70-A73 PolarHBondContact O-N 2.96Å; R70-S74 WeakPolarHBondContact O-CB 3.43Å; R70-S74 PolarHBondContact O-N 3.29Å; R70-S74 PolarHBondContact O-OG 3.07Å; R70-S74 VanDerWaalsContact O-OG 3.13Å |
| 71 | Q | 97.1 | Very high | 92.1 | Very high | 120 Ų | 120 | 106.3 Ų | 106.3 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.3 | -40.3 | -178.9 | -59.2 | 179 | 8.2 | 0 | 0 | 113 | H69 R75 | H69-Q71 PolarHBondContact O-N 3.42Å; Q71-R75 VanDerWaalsContact O-CG 3.31Å; Q71-R75 WeakPolarHBondContact O-CG 3.4Å; Q71-R75 PolarHBondContact O-N 3.46Å |
| 72 | A | 96.9 | Very high | 93.6 | Very high | 38 Ų | 38 | 109.4 Ų | 109.4 | 31% | 0.314 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | L68 H69 S74 R75 I76 | L68-A72 HydrophobicContact CB-CB 4.22Å; H69-A72 WeakPolarHBondContact O-CA 3.46Å; H69-A72 WeakPolarHBondContact O-CB 3.49Å; H69-A72 PolarHBondContact O-N 2.99Å; A72-S74 PolarHBondContact O-N 3.06Å; A72-R75 PolarHBondContact O-N 3.24Å; A72-I76 WeakPolarHBondContact O-CG1 3.31Å; A72-I76 PolarHBondContact O-N 3.45Å; A72-I76 VanDerWaalsContact O-N 3.07Å |
| 73 | A | 97.2 | Very high | 94.8 | Very high | 22 Ų | 22 | 112.3 Ų | 112.3 | 18% | 0.182 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -59 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L68 H69 R70 R75 I76 R77 | L68-A73 HydrophobicContact CB-CB 4.43Å; H69-A73 PolarHBondContact O-N 2.9Å; R70-A73 PolarHBondContact O-N 2.96Å; A73-R75 PolarHBondContact O-N 2.98Å; A73-I76 PolarHBondContact O-N 3.13Å; A73-R77 WeakPolarHBondContact O-CG 3.42Å; A73-R77 PolarHBondContact O-N 2.9Å |
| 74 | S | 97.3 | Very high | 95.8 | Very high | 42 Ų | 42 | 109.8 Ų | 109.8 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.5 | -33.7 | 177.1 | -65.9 | 0 | 0 | 0 | 0 | 113.4 | R70 A72 R78 | R70-S74 WeakPolarHBondContact O-CB 3.43Å; R70-S74 PolarHBondContact O-N 3.29Å; R70-S74 PolarHBondContact O-OG 3.07Å; R70-S74 VanDerWaalsContact O-OG 3.13Å; A72-S74 PolarHBondContact O-N 3.06Å; S74-R78 WeakPolarHBondContact O-CB 3.46Å; S74-R78 WeakPolarHBondContact O-CG 3.26Å; S74-R78 PolarHBondContact O-N 3.48Å |
| 75 | R | 97.9 | Very high | 96.4 | Very high | 163 Ų | 163 | 107.8 Ų | 107.8 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -45.5 | 173 | -77.8 | 175.3 | -176.7 | -164.9 | 0.8 | 111.2 | Q71 A72 A73 R78 S79 | Q71-R75 VanDerWaalsContact O-CG 3.31Å; Q71-R75 WeakPolarHBondContact O-CG 3.4Å; Q71-R75 PolarHBondContact O-N 3.46Å; A72-R75 PolarHBondContact O-N 3.24Å; A73-R75 PolarHBondContact O-N 2.98Å; R75-R78 PolarHBondContact O-N 3.01Å; R75-S79 PolarHBondContact O-N 3.3Å |
| 76 | I | 97.4 | Very high | 96.8 | Very high | 86 Ų | 86 | 104.7 Ų | 104.7 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 177.9 | -65.3 | 167.3 | 0 | 0 | 0 | 110.3 | L68 A72 A73 R78 S79 V80 | L68-I76 HydrophobicContact CD1-CD1 3.41Å; L68-I76 VanDerWaalsContact CD1-CD1 3.41Å; A72-I76 WeakPolarHBondContact O-CG1 3.31Å; A72-I76 PolarHBondContact O-N 3.45Å; A72-I76 VanDerWaalsContact O-N 3.07Å; A73-I76 PolarHBondContact O-N 3.13Å; I76-R78 VanDerWaalsContact C-N 3.31Å; I76-R78 PolarHBondContact O-N 2.89Å; I76-S79 WeakPolarHBondContact CA-OG 3.36Å; I76-S79 PolarHBondContact O-N 2.96Å; I76-S79 PolarHBondContact O-OG 2.66Å; I76-V80 HydrophobicContact CG2-CG2 4.47Å; I76-V80 WeakPolarHBondContact O-CG2 3.47Å; I76-V80 PolarHBondContact O-N 3.19Å |
| 77 | R | 97.9 | Very high | 97 | Very high | 186 Ų | 186 | 104.8 Ų | 104.8 | 70% | 0.702 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.5 | -43.9 | 177.2 | -70.8 | 178.9 | -168 | 168.4 | 1.9 | 112.5 | A73 V80 G81 | A73-R77 WeakPolarHBondContact O-CG 3.42Å; A73-R77 PolarHBondContact O-N 2.9Å; R77-V80 PolarHBondContact O-N 3.05Å; R77-G81 PolarHBondContact O-N 3.36Å |
| 78 | R | 97.8 | Very high | 97 | Very high | 169 Ų | 169 | 103 Ų | 103 | 64% | 0.638 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.5 | -39.6 | 174.8 | -75.9 | -173.4 | -64.9 | 149.8 | -3.9 | 112.7 | S74 R75 I76 V80 G81 Y82 | S74-R78 WeakPolarHBondContact O-CB 3.46Å; S74-R78 WeakPolarHBondContact O-CG 3.26Å; S74-R78 PolarHBondContact O-N 3.48Å; R75-R78 PolarHBondContact O-N 3.01Å; I76-R78 VanDerWaalsContact C-N 3.31Å; I76-R78 PolarHBondContact O-N 2.89Å; R78-V80 VanDerWaalsContact C-N 3.33Å; R78-G81 PolarHBondContact O-N 3.04Å; R78-Y82 VanDerWaalsContact O-CB 3.26Å; R78-Y82 WeakPolarHBondContact O-CB 3.47Å; R78-Y82 PolarHBondContact O-N 3.01Å |
| 79 | S | 98.4 | Very high | 97 | Very high | 59 Ų | 59 | 103.4 Ų | 103.4 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | 177.8 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | R75 I76 R83 | R75-S79 PolarHBondContact O-N 3.3Å; I76-S79 WeakPolarHBondContact CA-OG 3.36Å; I76-S79 PolarHBondContact O-N 2.96Å; I76-S79 PolarHBondContact O-OG 2.66Å; S79-R83 PolarHBondContact O-N 3.36Å |
| 80 | V | 98.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 103.1 Ų | 103.1 | 32% | 0.321 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70 | -50.2 | 174.6 | 174.9 | 0 | 0 | 0 | 0 | 110 | I76 R77 R78 Y82 R83 E84 | I76-V80 HydrophobicContact CG2-CG2 4.47Å; I76-V80 WeakPolarHBondContact O-CG2 3.47Å; I76-V80 PolarHBondContact O-N 3.19Å; R77-V80 PolarHBondContact O-N 3.05Å; R78-V80 VanDerWaalsContact C-N 3.33Å; V80-Y82 VanDerWaalsContact C-N 3.28Å; V80-Y82 PolarHBondContact O-N 2.94Å; V80-R83 WeakPolarHBondContact O-CB 3.38Å; V80-R83 PolarHBondContact O-N 2.83Å; V80-E84 PolarHBondContact O-N 3.33Å |
| 81 | G | 98.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 98.7 Ų | 98.7 | 25% | 0.247 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.6 | -34 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R77 R78 K85 | R77-G81 PolarHBondContact O-N 3.36Å; R78-G81 PolarHBondContact O-N 3.04Å; G81-K85 WeakPolarHBondContact O-CB 3.47Å; G81-K85 VanDerWaalsContact O-CG 3.23Å; G81-K85 WeakPolarHBondContact O-CG 3.49Å; G81-K85 PolarHBondContact O-N 2.99Å |
| 82 | Y | 98.3 | Very high | 96.4 | Very high | 167 Ų | 167 | 95.5 Ų | 95.5 | 66% | 0.655 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 171.5 | 173.9 | -102.9 | 0 | 0 | 0 | 111.5 | R78 V80 K85 C86 | R78-Y82 VanDerWaalsContact O-CB 3.26Å; R78-Y82 WeakPolarHBondContact O-CB 3.47Å; R78-Y82 PolarHBondContact O-N 3.01Å; V80-Y82 VanDerWaalsContact C-N 3.28Å; V80-Y82 PolarHBondContact O-N 2.94Å; Y82-K85 PolarHBondContact O-N 3.31Å; Y82-C86 VanDerWaalsContact CE2-SG 3.55Å; Y82-C86 WeakPolarHBondContact O-CB 3.37Å; Y82-C86 PolarHBondContact O-N 3.08Å; Y82-C86 PolarHBondContact O-SG 3.27Å |
| 83 | R | 98.3 | Very high | 96.3 | Very high | 145 Ų | 145 | 98 Ų | 98 | 55% | 0.547 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 178.1 | -172.3 | -174.4 | -59.9 | 140.2 | 2.3 | 111.6 | S79 V80 K85 C86 E87 | S79-R83 PolarHBondContact O-N 3.36Å; V80-R83 WeakPolarHBondContact O-CB 3.38Å; V80-R83 PolarHBondContact O-N 2.83Å; R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 2.97Å; R83-C86 WeakPolarHBondContact O-CB 3.23Å; R83-C86 PolarHBondContact O-N 3.23Å; R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 3.44Å |
| 84 | E | 97.8 | Very high | 96 | Very high | 104 Ų | 104 | 102.4 Ų | 102.4 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 177 | -68.3 | 168.6 | 177 | 0 | 0 | 111.1 | V80 C86 E87 E88 | V80-E84 PolarHBondContact O-N 3.33Å; E84-C86 PolarHBondContact O-N 3.34Å; E84-E87 WeakPolarHBondContact O-CB 3.47Å; E84-E87 PolarHBondContact O-N 3.36Å; E84-E87 VanDerWaalsContact O-N 3.16Å; E84-E88 PolarHBondContact O-N 3.43Å |
| 85 | K | 97.5 | Very high | 95.7 | Very high | 122 Ų | 122 | 102.1 Ų | 102.1 | 53% | 0.53 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68 | -34.4 | 177.4 | -69.3 | -68.5 | 164.8 | -145.6 | 0 | 113.5 | G81 Y82 R83 E87 E88 L89 | G81-K85 WeakPolarHBondContact O-CB 3.47Å; G81-K85 VanDerWaalsContact O-CG 3.23Å; G81-K85 WeakPolarHBondContact O-CG 3.49Å; G81-K85 PolarHBondContact O-N 2.99Å; Y82-K85 PolarHBondContact O-N 3.31Å; R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 2.97Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E88 IonicContact NZ-OE1 2.72Å; K85-E88 PolarHBondContact NZ-OE1 2.86Å; K85-E88 IonicContact NZ-OE2 3.85Å; K85-E88 PolarHBondContact NZ-OE2 3.01Å; K85-E88 PolarHBondContact O-N 3.49Å; K85-L89 WeakPolarHBondContact O-CB 3.41Å; K85-L89 PolarHBondContact O-N 3.45Å |
| 86 | C | 97.2 | Very high | 95.6 | Very high | 39 Ų | 39 | 97 Ų | 97 | 26% | 0.264 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 171.1 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | Y82 R83 E84 L89 K90 | Y82-C86 VanDerWaalsContact CE2-SG 3.55Å; Y82-C86 WeakPolarHBondContact O-CB 3.37Å; Y82-C86 PolarHBondContact O-N 3.08Å; Y82-C86 PolarHBondContact O-SG 3.27Å; R83-C86 WeakPolarHBondContact O-CB 3.23Å; R83-C86 PolarHBondContact O-N 3.23Å; E84-C86 PolarHBondContact O-N 3.34Å; C86-L89 PolarHBondContact O-N 3.48Å; C86-K90 WeakPolarHBondContact O-CG 3.44Å; C86-K90 PolarHBondContact O-N 2.99Å |
| 87 | E | 94.5 | Very high | 95.4 | Very high | 105 Ų | 105 | 98.5 Ų | 98.5 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 174.6 | -72.3 | 169.1 | -172.9 | 0 | 0 | 111.5 | R83 E84 K85 L89 K90 | R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 3.44Å; E84-E87 WeakPolarHBondContact O-CB 3.47Å; E84-E87 PolarHBondContact O-N 3.36Å; E84-E87 VanDerWaalsContact O-N 3.16Å; K85-E87 VanDerWaalsContact C-N 3.31Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3.16Å; E87-K90 WeakPolarHBondContact O-CB 3.48Å; E87-K90 PolarHBondContact O-N 3.21Å |
| 88 | E | 92.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 94 Ų | 94 | 41% | 0.407 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.6 | -33.1 | 173.1 | -69 | 175.3 | -156.8 | 0 | 0 | 113.1 | E84 K85 | E84-E88 PolarHBondContact O-N 3.43Å; K85-E88 IonicContact NZ-OE1 2.72Å; K85-E88 PolarHBondContact NZ-OE1 2.86Å; K85-E88 IonicContact NZ-OE2 3.85Å; K85-E88 PolarHBondContact NZ-OE2 3.01Å; K85-E88 PolarHBondContact O-N 3.49Å |
| 89 | L | 93.4 | Very high | 94.9 | Very high | 112 Ų | 112 | 87.5 Ų | 87.5 | 59% | 0.586 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -73.2 | -30 | 179.4 | -173.8 | 62.6 | 0 | 0 | 0 | 112.4 | K85 C86 E87 D91 W92 | K85-L89 WeakPolarHBondContact O-CB 3.41Å; K85-L89 PolarHBondContact O-N 3.45Å; C86-L89 PolarHBondContact O-N 3.48Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3.16Å; L89-D91 PolarHBondContact O-N 3.29Å; L89-W92 WeakPolarHBondContact O-CB 3.44Å; L89-W92 PolarHBondContact O-N 2.78Å |
| 90 | K | 93.6 | Very high | 94.7 | Very high | 122 Ų | 122 | 94.5 Ų | 94.5 | 53% | 0.53 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.7 | -27.7 | 179.2 | -76.9 | 171.1 | -174.5 | 175.3 | 0 | 113.1 | C86 E87 W92 D93 | C86-K90 WeakPolarHBondContact O-CG 3.44Å; C86-K90 PolarHBondContact O-N 2.99Å; E87-K90 WeakPolarHBondContact O-CB 3.48Å; E87-K90 PolarHBondContact O-N 3.21Å; K90-W92 PolarHBondContact O-N 2.69Å; K90-D93 WeakPolarHBondContact O-CB 3.42Å; K90-D93 PolarHBondContact O-N 3.01Å |
| 91 | D | 90.6 | Very high | 94.6 | Very high | 108 Ų | 108 | 96.4 Ų | 96.4 | 58% | 0.578 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.4 | 175.4 | -64 | -16.6 | 0 | 0 | 0 | 112.2 | L89 L488 | L89-D91 PolarHBondContact O-N 3.29Å; D91-L488 HydrophobicContact CB-CD1 4.34Å; D91-L488 WeakPolarHBondContact O-CD2 3.45Å |
| 92 | W | 93.2 | Very high | 94.4 | Very high | 52 Ų | 52 | 97.3 Ų | 97.3 | 20% | 0.197 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -10.8 | 178.7 | -68.7 | 89.6 | 0 | 0 | 0 | 114.6 | L89 K90 D94 F95 V96 A483 D484 R485 L488 | L89-W92 WeakPolarHBondContact O-CB 3.44Å; L89-W92 PolarHBondContact O-N 2.78Å; K90-W92 PolarHBondContact O-N 2.69Å; W92-D94 VanDerWaalsContact C-N 3.3Å; W92-D94 PolarHBondContact O-N 3.01Å; W92-F95 HydrophobicContact CE3-CB 4.35Å; W92-F95 AromaticContact CE3-CD1 3.76Å; W92-F95 HydrophobicContact CE3-CD1 3.76Å; W92-F95 HydrophobicContact CE3-CE1 4.41Å; W92-F95 HydrophobicContact CE3-CG 4.22Å; W92-F95 AromaticContact CZ3-CD1 3.94Å; W92-F95 HydrophobicContact CZ3-CD1 3.94Å; W92-F95 HydrophobicContact CZ3-CE1 4.21Å; W92-F95 HydrophobicContact CZ3-CG 4.39Å; W92-F95 PolarHBondContact O-N 3.38Å; W92-V96 WeakPolarHBondContact O-CG2 3.22Å; W92-V96 PolarHBondContact O-N 3.18Å; W92-A483 HydrophobicContact CH2-CB 4.04Å; W92-A483 WeakPolarHBondContact CH2-O 3.38Å; W92-A483 HydrophobicContact CZ3-CB 3.74Å; W92-D484 WeakPolarHBondContact CH2-O 3.25Å; W92-R485 HydrophobicContact CZ2-CG 4.08Å; W92-L488 HydrophobicContact CD2-CD1 4.14Å; W92-L488 HydrophobicContact CD2-CD2 3.86Å; W92-L488 HydrophobicContact CD2-CG 4.35Å; W92-L488 HydrophobicContact CE3-CD2 3.63Å; W92-L488 HydrophobicContact CE3-CG 4.29Å; W92-L488 HydrophobicContact CG-CD2 4.39Å; W92-L488 HydrophobicContact CH2-CD1 4.47Å; W92-L488 HydrophobicContact CH2-CD2 4.45Å; W92-L488 HydrophobicContact CH2-CG 4.26Å; W92-L488 HydrophobicContact CZ2-CD1 4.01Å; W92-L488 HydrophobicContact CZ2-CG 4.3Å; W92-L488 HydrophobicContact CZ3-CD2 3.94Å; W92-L488 HydrophobicContact CZ3-CG 4.23Å |
| 93 | D | 94.2 | Very high | 94.2 | Very high | 92 Ų | 92 | 96.2 Ų | 96.2 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | -174.3 | -77 | -21.8 | 0 | 0 | 0 | 111.2 | K90 V96 H97 | K90-D93 WeakPolarHBondContact O-CB 3.42Å; K90-D93 PolarHBondContact O-N 3.01Å; D93-V96 PolarHBondContact O-N 3.07Å; D93-H97 VanDerWaalsContact O-CB 3.25Å; D93-H97 WeakPolarHBondContact O-CB 3.49Å; D93-H97 PolarHBondContact O-N 3Å |
| 94 | D | 91.8 | Very high | 94 | Very high | 113 Ų | 113 | 93.4 Ų | 93.4 | 60% | 0.604 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 178.2 | -72.9 | -13.8 | 0 | 0 | 0 | 111.6 | W92 H97 L98 | W92-D94 VanDerWaalsContact C-N 3.3Å; W92-D94 PolarHBondContact O-N 3.01Å; D94-H97 PolarHBondContact O-N 3.19Å; D94-L98 WeakPolarHBondContact O-CB 3.44Å; D94-L98 VanDerWaalsContact O-CG 3.22Å; D94-L98 WeakPolarHBondContact O-CG 3.45Å; D94-L98 PolarHBondContact O-N 3.45Å |
| 95 | F | 91.7 | Very high | 93.8 | Very high | 37 Ų | 37 | 90.1 Ų | 90.1 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 177.4 | 174.5 | -96.4 | 0 | 0 | 0 | 111 | W92 H97 L98 S99 L109 A483 L487 L488 | W92-F95 HydrophobicContact CE3-CB 4.35Å; W92-F95 AromaticContact CE3-CD1 3.76Å; W92-F95 HydrophobicContact CE3-CD1 3.76Å; W92-F95 HydrophobicContact CE3-CE1 4.41Å; W92-F95 HydrophobicContact CE3-CG 4.22Å; W92-F95 AromaticContact CZ3-CD1 3.94Å; W92-F95 HydrophobicContact CZ3-CD1 3.94Å; W92-F95 HydrophobicContact CZ3-CE1 4.21Å; W92-F95 HydrophobicContact CZ3-CG 4.39Å; W92-F95 PolarHBondContact O-N 3.38Å; F95-H97 VanDerWaalsContact C-N 3.31Å; F95-H97 PolarHBondContact O-N 3.04Å; F95-L98 PolarHBondContact O-N 3.01Å; F95-S99 PolarHBondContact O-N 2.86Å; F95-S99 PolarHBondContact O-OG 2.69Å; F95-S99 VanDerWaalsContact O-OG 3.06Å; F95-L109 HydrophobicContact CZ-CD1 4.26Å; F95-A483 HydrophobicContact CE1-CB 3.96Å; F95-A483 HydrophobicContact CZ-CB 4.11Å; F95-L487 HydrophobicContact CD2-CB 4.42Å; F95-L487 HydrophobicContact CE2-CB 3.98Å; F95-L487 HydrophobicContact CE2-CD1 4.21Å; F95-L487 HydrophobicContact CZ-CD1 4.1Å; F95-L488 HydrophobicContact CB-CD2 3.84Å; F95-L488 HydrophobicContact CG-CD2 4.42Å |
| 96 | V | 94.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 89.2 Ų | 89.2 | 33% | 0.333 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 178.1 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | W92 D93 R100 | W92-V96 WeakPolarHBondContact O-CG2 3.22Å; W92-V96 PolarHBondContact O-N 3.18Å; D93-V96 PolarHBondContact O-N 3.07Å; V96-R100 HydrophobicContact CG1-CG 4.49Å; V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 VanDerWaalsContact O-CG 3.25Å; V96-R100 WeakPolarHBondContact O-CG 3.33Å; V96-R100 PolarHBondContact O-N 2.66Å |
| 97 | H | 94.8 | Very high | 93.5 | Very high | 118 Ų | 118 | 89.6 Ų | 89.6 | 55% | 0.546 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 176.1 | -178.8 | -83.5 | 0 | 0 | 0 | 111.4 | D93 D94 F95 S99 R100 V101 | D93-H97 VanDerWaalsContact O-CB 3.25Å; D93-H97 WeakPolarHBondContact O-CB 3.49Å; D93-H97 PolarHBondContact O-N 3Å; D94-H97 PolarHBondContact O-N 3.19Å; F95-H97 VanDerWaalsContact C-N 3.31Å; F95-H97 PolarHBondContact O-N 3.04Å; H97-S99 VanDerWaalsContact C-N 3.34Å; H97-S99 PolarHBondContact O-N 2.85Å; H97-R100 PolarHBondContact O-N 2.85Å; H97-V101 WeakPolarHBondContact O-CG2 3.31Å; H97-V101 PolarHBondContact O-N 3.34Å |
| 98 | L | 92.8 | Very high | 93.3 | Very high | 90 Ų | 90 | 86 Ų | 86 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -43 | 177.3 | -71.5 | 170.6 | 0 | 0 | 0 | 111.5 | D94 F95 R100 V101 A102 | D94-L98 WeakPolarHBondContact O-CB 3.44Å; D94-L98 VanDerWaalsContact O-CG 3.22Å; D94-L98 WeakPolarHBondContact O-CG 3.45Å; D94-L98 PolarHBondContact O-N 3.45Å; F95-L98 PolarHBondContact O-N 3.01Å; L98-R100 PolarHBondContact O-N 3.35Å; L98-V101 PolarHBondContact O-N 2.85Å; L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 2.72Å |
| 99 | S | 92.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 84.8 Ų | 84.8 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | F95 H97 I105 | F95-S99 PolarHBondContact O-N 2.86Å; F95-S99 PolarHBondContact O-OG 2.69Å; F95-S99 VanDerWaalsContact O-OG 3.06Å; H97-S99 VanDerWaalsContact C-N 3.34Å; H97-S99 PolarHBondContact O-N 2.85Å; S99-I105 WeakPolarHBondContact O-CD1 3.47Å |
| 100 | R | 94.3 | Very high | 92.4 | Very high | 206 Ų | 206 | 81.8 Ų | 81.8 | 78% | 0.777 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -71.2 | -32.7 | 177.8 | -75.9 | 175.3 | -176.4 | -176.4 | 4.4 | 113.5 | V96 H97 L98 | V96-R100 HydrophobicContact CG1-CG 4.49Å; V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 VanDerWaalsContact O-CG 3.25Å; V96-R100 WeakPolarHBondContact O-CG 3.33Å; V96-R100 PolarHBondContact O-N 2.66Å; H97-R100 PolarHBondContact O-N 2.85Å; L98-R100 PolarHBondContact O-N 3.35Å |
| 101 | V | 95.1 | Very high | 91.1 | Very high | 94 Ų | 94 | 83.3 Ų | 83.3 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -87.4 | -21.2 | -179.1 | 176 | 0 | 0 | 0 | 0 | 111.7 | H97 L98 D103 | H97-V101 WeakPolarHBondContact O-CG2 3.31Å; H97-V101 PolarHBondContact O-N 3.34Å; L98-V101 PolarHBondContact O-N 2.85Å; V101-D103 PolarHBondContact O-N 3.44Å |
| 102 | A | 94.7 | Very high | 89.7 | Confident | 43 Ų | 43 | 80.3 Ų | 80.3 | 36% | 0.355 | 41% | 0.41 | S | S | . | . | trans | -59.2 | 131.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L98 R104 | L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 2.72Å; A102-R104 PolarHBondContact O-N 3.41Å | ||
| 103 | D | 94.2 | Very high | 88 | Confident | 144 Ų | 144 | 82.2 Ų | 82.2 | 77% | 0.77 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -61.5 | -36.3 | 176.9 | -64.4 | -22.3 | 0 | 0 | 0 | 111.3 | V101 S471 | V101-D103 PolarHBondContact O-N 3.44Å; D103-S471 PolarHBondContact O-OG 2.99Å; D103-S471 VanDerWaalsContact O-OG 3.06Å |
| 104 | R | 93.8 | Very high | 86.2 | Confident | 85 Ų | 85 | 86.3 Ų | 86.3 | 32% | 0.321 | 45% | 0.446 | S | S | . | . | trans | -137.6 | 138.8 | -175.7 | -58 | 179.5 | -169.5 | 153.6 | 8.5 | 111.9 | A102 L466 E469 S471 | A102-R104 PolarHBondContact O-N 3.41Å; R104-L466 PolarHBondContact NH2-O 3.16Å; R104-E469 IonicContact CZ-OE2 3.54Å; R104-E469 IonicContact NE-OE2 2.77Å; R104-E469 VanDerWaalsContact NH1-CD 3.3Å; R104-E469 IonicContact NH1-OE1 3.72Å; R104-E469 IonicContact NH1-OE2 2.8Å; R104-E469 PolarHBondContact NH1-OE2 3.25Å; R104-S471 CarbonylContact C-O 3.59Å; R104-S471 VanDerWaalsContact CA-O 3.31Å; R104-S471 WeakPolarHBondContact CA-O 3.44Å | ||
| 105 | I | 94.2 | Very high | 84.4 | Confident | 35 Ų | 35 | 88 Ų | 88 | 18% | 0.179 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 119 | 174 | -52.6 | 177 | 0 | 0 | 0 | 108.3 | S99 F107 L109 S471 V472 S473 | S99-I105 WeakPolarHBondContact O-CD1 3.47Å; I105-F107 HydrophobicContact CB-CE2 4.48Å; I105-F107 HydrophobicContact CG2-CD2 4.21Å; I105-F107 HydrophobicContact CG2-CE2 3.61Å; I105-F107 HydrophobicContact CG2-CZ 3.78Å; I105-L109 HydrophobicContact CG2-CD2 4.06Å; I105-S471 PolarHBondContact N-O 3.01Å; I105-V472 WeakPolarHBondContact O-CA 3.25Å; I105-S473 PolarHBondContact O-N 3.21Å |
| 106 | H | 93.6 | Very high | 82.7 | Confident | 104 Ų | 104 | 93.9 Ų | 93.9 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131.3 | 176.2 | -55.8 | -74 | 0 | 0 | 0 | 109.3 | S473 | H106-S473 CarbonylContact C-O 3.27Å; H106-S473 WeakPolarHBondContact CA-O 3.46Å; H106-S473 PolarHBondContact ND1-OG 3.49Å |
| 107 | F | 93.7 | Very high | 80.8 | Confident | 47 Ų | 47 | 100.3 Ų | 100.3 | 21% | 0.206 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 136.7 | 172.5 | -69.3 | -80.3 | 0 | 0 | 0 | 109.9 | I105 L109 V472 S473 T474 E475 I480 | I105-F107 HydrophobicContact CB-CE2 4.48Å; I105-F107 HydrophobicContact CG2-CD2 4.21Å; I105-F107 HydrophobicContact CG2-CE2 3.61Å; I105-F107 HydrophobicContact CG2-CZ 3.78Å; F107-L109 HydrophobicContact CD1-CD1 4.22Å; F107-L109 HydrophobicContact CD1-CD2 4.41Å; F107-L109 HydrophobicContact CD1-CG 3.71Å; F107-L109 HydrophobicContact CE1-CD1 3.61Å; F107-L109 HydrophobicContact CE1-CD2 4.15Å; F107-L109 HydrophobicContact CE1-CG 3.55Å; F107-L109 HydrophobicContact CZ-CD1 4.49Å; F107-L109 HydrophobicContact CZ-CG 4.49Å; F107-V472 HydrophobicContact CD2-CG1 4.06Å; F107-V472 HydrophobicContact CE2-CG1 3.97Å; F107-S473 PolarHBondContact N-O 2.9Å; F107-T474 HydrophobicContact CB-CG2 4.21Å; F107-T474 HydrophobicContact CD2-CG2 4.29Å; F107-E475 PolarHBondContact O-N 3.29Å; F107-I480 HydrophobicContact CB-CD1 4.18Å; F107-I480 HydrophobicContact CB-CG1 4.16Å; F107-I480 HydrophobicContact CB-CG2 4.27Å; F107-I480 HydrophobicContact CD1-CG2 3.5Å; F107-I480 HydrophobicContact CE1-CG2 4Å; F107-I480 HydrophobicContact CG-CD1 4.44Å; F107-I480 HydrophobicContact CG-CG2 3.99Å |
| 108 | P | 91.8 | Very high | 78.7 | Confident | 29 Ų | 29 | 99.7 Ų | 99.7 | 19% | 0.188 | 51% | 0.51 | C | S | . | . | cis | -74.2 | 142.6 | 10.1 | 32.9 | -40 | 0 | 0 | 0 | 114.5 | Q110 E478 | P108-Q110 VanDerWaalsContact C-N 3.3Å; P108-E478 HydrophobicContact CG-CG 4.31Å | ||
| 109 | L | 87.9 | Confident | 76.8 | Confident | 62 Ų | 62 | 101.5 Ų | 101.5 | 33% | 0.325 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -69.9 | -30.6 | 177.9 | -71.9 | 169.1 | 0 | 0 | 0 | 112.7 | F95 I105 F107 A483 L487 | F95-L109 HydrophobicContact CZ-CD1 4.26Å; I105-L109 HydrophobicContact CG2-CD2 4.06Å; F107-L109 HydrophobicContact CD1-CD1 4.22Å; F107-L109 HydrophobicContact CD1-CD2 4.41Å; F107-L109 HydrophobicContact CD1-CG 3.71Å; F107-L109 HydrophobicContact CE1-CD1 3.61Å; F107-L109 HydrophobicContact CE1-CD2 4.15Å; F107-L109 HydrophobicContact CE1-CG 3.55Å; F107-L109 HydrophobicContact CZ-CD1 4.49Å; F107-L109 HydrophobicContact CZ-CG 4.49Å; L109-A483 HydrophobicContact CD1-CB 4.45Å; L109-L487 HydrophobicContact CB-CD1 3.94Å; L109-L487 HydrophobicContact CD1-CD1 4.07Å |
| 110 | Q | 77.3 | Confident | 74.8 | Confident | 48 Ų | 48 | 109.2 Ų | 109.2 | 22% | 0.224 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -101.3 | 116.1 | 176 | -68 | 173.1 | -5.2 | 0 | 0 | 106.5 | P108 G112 S486 L487 | P108-Q110 VanDerWaalsContact C-N 3.3Å; Q110-G112 PolarHBondContact O-N 3.41Å; Q110-S486 PolarHBondContact NE2-OG 2.79Å; Q110-L487 HydrophobicContact CG-CD1 4.33Å; Q110-L487 HydrophobicContact CG-CD2 3.88Å; Q110-L487 HydrophobicContact CG-CG 4.2Å |
| 111 | E | 65.9 | Low | 73 | Confident | 155 Ų | 155 | 102.6 Ų | 102.6 | 72% | 0.724 | 55% | 0.553 | S | S | * | * | trans | -65.6 | 92.9 | 154.9 | -64.9 | 179.6 | -167.1 | 0 | 0 | 105 | A113 | E111-A113 PolarHBondContact O-N 3.41Å; E111-A113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | G | 62.2 | Low | 70.9 | Confident | 44 Ų | 44 | 101 Ų | 101 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | trans | -47.4 | 127.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 106 | Q110 R114 | Q110-G112 PolarHBondContact O-N 3.41Å; G112-R114 VanDerWaalsContact C-N 3.26Å; G112-R114 PolarHBondContact O-N 3.1Å | ||
| 113 | A | 57 | Low | 69 | Low | 93 Ų | 93 | 104.1 Ų | 104.1 | 77% | 0.769 | 56% | 0.564 | S | S | * | * | trans | -44.3 | 99.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | E111 D115 | E111-A113 PolarHBondContact O-N 3.41Å; E111-A113 VanDerWaalsContact O-N 3.12Å; A113-D115 VanDerWaalsContact C-N 3.3Å; A113-D115 PolarHBondContact O-N 2.77Å | ||
| 114 | R | 56.7 | Low | 67.3 | Low | 178 Ų | 178 | 104.2 Ų | 104.2 | 67% | 0.672 | 57% | 0.565 | S | S | * | * | trans | -62.1 | 111.4 | 179.1 | -71.8 | 179.6 | 177.3 | 167.9 | 0.5 | 100.6 | G112 L116 | G112-R114 VanDerWaalsContact C-N 3.26Å; G112-R114 PolarHBondContact O-N 3.1Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 WeakPolarHBondContact O-CA 3.49Å; R114-L116 PolarHBondContact O-N 3.4Å | ||
| 115 | D | 54.5 | Low | 65.9 | Low | 147 Ų | 147 | 106.1 Ų | 106.1 | 79% | 0.786 | 59% | 0.585 | S | S | * | * | trans | -39.8 | 110.3 | 172.6 | -68.2 | -34.3 | 0 | 0 | 0 | 103.9 | A113 K117 | A113-D115 VanDerWaalsContact C-N 3.3Å; A113-D115 PolarHBondContact O-N 2.77Å; D115-K117 PolarHBondContact O-N 2.99Å | ||
| 116 | L | 55.1 | Low | 64.6 | Low | 162 Ų | 162 | 109.5 Ų | 109.5 | 85% | 0.848 | 61% | 0.61 | S | S | * | * | trans | -57.8 | 97.2 | -170.3 | -72 | 167.9 | 0 | 0 | 0 | 103.5 | R114 I118 | R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 WeakPolarHBondContact O-CA 3.49Å; R114-L116 PolarHBondContact O-N 3.4Å; L116-I118 VanDerWaalsContact C-N 3.27Å; L116-I118 PolarHBondContact O-N 3.39Å | ||
| 117 | K | 55.6 | Low | 64.1 | Low | 190 Ų | 190 | 113 Ų | 113 | 83% | 0.826 | 62% | 0.623 | S | S | * | * | trans | -60.7 | 108.6 | -177.8 | -85.7 | -176.1 | 178.7 | 177.4 | 0 | 102.1 | D115 V119 | D115-K117 PolarHBondContact O-N 2.99Å; K117-V119 PolarHBondContact O-N 2.98Å | ||
| 118 | I | 49.4 | Very low | 63.8 | Low | 104 Ų | 104 | 114 Ų | 114 | 53% | 0.533 | 64% | 0.635 | S | S | . | * | trans | -43.5 | 104.9 | -172.2 | -71.7 | 154 | 0 | 0 | 0 | 107.2 | L116 E120 A122 | L116-I118 VanDerWaalsContact C-N 3.27Å; L116-I118 PolarHBondContact O-N 3.39Å; I118-E120 PolarHBondContact O-N 3.47Å; I118-A122 HydrophobicContact CB-CB 4.37Å; I118-A122 HydrophobicContact CD1-CB 4.43Å; I118-A122 WeakPolarHBondContact CD1-O 3.42Å; I118-A122 HydrophobicContact CG1-CB 3.99Å; I118-A122 VanDerWaalsContact CG2-C 3.47Å; I118-A122 HydrophobicContact CG2-CB 3.58Å; I118-A122 VanDerWaalsContact CG2-N 3.32Å; I118-A122 WeakPolarHBondContact CG2-O 3.45Å | ||
| 119 | V | 53.9 | Low | 63.6 | Low | 128 Ų | 128 | 119 Ų | 119 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | trans | -73 | 110.8 | 171.6 | 176.6 | 0 | 0 | 0 | 0 | 103.8 | K117 G121 | K117-V119 PolarHBondContact O-N 2.98Å; V119-G121 PolarHBondContact O-N 3.17Å; V119-G121 VanDerWaalsContact O-N 3.08Å | ||
| 120 | E | 50.9 | Low | 63.8 | Low | 195 Ų | 195 | 120.7 Ų | 120.7 | 91% | 0.911 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 25.7 | 74.6 | 162.5 | -63.9 | -178.6 | 158.5 | 0 | 0 | 114.5 | I118 | I118-E120 PolarHBondContact O-N 3.47Š|
| 121 | G | 55.2 | Low | 64.6 | Low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 160.3 | -21.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | V119 | V119-G121 PolarHBondContact O-N 3.17Å; V119-G121 VanDerWaalsContact O-N 3.08Å |
| 122 | A | 51.5 | Low | 65.8 | Low | 59 Ų | 59 | 125 Ų | 125 | 49% | 0.488 | 69% | 0.692 | S | S | . | * | trans | -104.4 | 50.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | I118 D124 | I118-A122 HydrophobicContact CB-CB 4.37Å; I118-A122 HydrophobicContact CD1-CB 4.43Å; I118-A122 WeakPolarHBondContact CD1-O 3.42Å; I118-A122 HydrophobicContact CG1-CB 3.99Å; I118-A122 VanDerWaalsContact CG2-C 3.47Å; I118-A122 HydrophobicContact CG2-CB 3.58Å; I118-A122 VanDerWaalsContact CG2-N 3.32Å; I118-A122 WeakPolarHBondContact CG2-O 3.45Å; A122-D124 PolarHBondContact O-N 2.97Å | ||
| 123 | V | 54.1 | Low | 67.2 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | trans | -64.9 | 119.8 | 167.9 | -178.2 | 0 | 0 | 0 | 0 | 106 | V125 | V123-V125 PolarHBondContact O-N 3.44Å; V123-V125 VanDerWaalsContact O-N 3.16Å | ||
| 124 | D | 59.9 | Low | 68.9 | Low | 146 Ų | 146 | 124.6 Ų | 124.6 | 78% | 0.781 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -45.5 | 125 | 162.8 | -75.7 | -34.5 | 0 | 0 | 0 | 107.2 | A122 | A122-D124 PolarHBondContact O-N 2.97Š|
| 125 | V | 64 | Low | 70.6 | Confident | 124 Ų | 124 | 122 Ų | 122 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -14.3 | 114.1 | -174.4 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | V123 K127 | V123-V125 PolarHBondContact O-N 3.44Å; V123-V125 VanDerWaalsContact O-N 3.16Å; V125-K127 PolarHBondContact O-N 2.87Å |
| 126 | P | 67.3 | Low | 72.3 | Confident | 107 Ų | 107 | 117.8 Ų | 117.8 | 70% | 0.695 | 64% | 0.644 | S | S | * | * | trans | -57.1 | 115.4 | -169.7 | 23.9 | -33.6 | 0 | 0 | 0 | 109.8 | ||||
| 127 | K | 81.7 | Confident | 73.9 | Confident | 176 Ų | 176 | 111.4 Ų | 111.4 | 77% | 0.765 | 62% | 0.615 | S | S | * | * | trans | -77.9 | 129.2 | 173.9 | -62.7 | 176.7 | -175.4 | 173.3 | 0 | 107.2 | V125 V129 | V125-K127 PolarHBondContact O-N 2.87Å; K127-V129 PolarHBondContact O-N 2.9Å | ||
| 128 | P | 87.4 | Confident | 75.5 | Confident | 68 Ų | 68 | 107 Ų | 107 | 44% | 0.442 | 60% | 0.597 | S | S | . | * | trans | -60.4 | 126.3 | 178.7 | 25 | -32.8 | 0 | 0 | 0 | 109.3 | E133 A134 | P128-E133 HydrophobicContact CB-CB 3.97Å; P128-A134 HydrophobicContact CB-CB 4.29Å | ||
| 129 | V | 87.8 | Confident | 77.4 | Confident | 136 Ų | 136 | 104.4 Ų | 104.4 | 82% | 0.824 | 59% | 0.591 | S | S | * | * | trans | -97.5 | -36.3 | 179.8 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | K127 E133 | K127-V129 PolarHBondContact O-N 2.9Å; V129-E133 PolarHBondContact N-OE2 3.28Å | ||
| 130 | N | 91.8 | Very high | 78.8 | Confident | 97 Ų | 97 | 102.9 Ų | 102.9 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -102.7 | 156.3 | -177.7 | -164 | 9.6 | 0 | 0 | 0 | 112.6 | F132 E133 A134 | N130-F132 VanDerWaalsContact C-N 3.34Å; N130-F132 PolarHBondContact O-N 3.29Å; N130-E133 HydrophobicContact CB-CB 4.33Å; N130-E133 HydrophobicContact CB-CG 4.03Å; N130-E133 PolarHBondContact N-OE2 2.98Å; N130-E133 WeakPolarHBondContact O-CB 3.32Å; N130-E133 PolarHBondContact O-N 3.06Å; N130-A134 PolarHBondContact O-N 3.04Å |
| 131 | E | 94.8 | Very high | 80.3 | Confident | 158 Ų | 158 | 101.9 Ų | 101.9 | 74% | 0.738 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.3 | -45.9 | 175.7 | -67.2 | 179.6 | 173.4 | 0 | 0 | 111.2 | E133 A134 E135 | E131-E133 VanDerWaalsContact C-N 3.28Å; E131-E133 PolarHBondContact O-N 3.14Å; E131-A134 WeakPolarHBondContact O-CA 3.19Å; E131-A134 WeakPolarHBondContact O-CB 3.43Å; E131-A134 PolarHBondContact O-N 2.98Å; E131-E135 PolarHBondContact O-N 3.28Å |
| 132 | F | 91.9 | Very high | 81.7 | Confident | 135 Ų | 135 | 105.4 Ų | 105.4 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.3 | -39.1 | 173.8 | 176.5 | -103.5 | 0 | 0 | 0 | 112.6 | N130 A134 E135 V136 | N130-F132 VanDerWaalsContact C-N 3.34Å; N130-F132 PolarHBondContact O-N 3.29Å; F132-A134 VanDerWaalsContact C-N 3.31Å; F132-E135 PolarHBondContact O-N 2.87Å; F132-V136 HydrophobicContact CD1-CG2 4.25Å; F132-V136 HydrophobicContact CD2-CG2 4.33Å; F132-V136 HydrophobicContact CE1-CG2 3.82Å; F132-V136 HydrophobicContact CE2-CG2 3.91Å; F132-V136 HydrophobicContact CZ-CG2 3.63Å; F132-V136 WeakPolarHBondContact O-CB 3.36Å; F132-V136 VanDerWaalsContact O-CG2 3.22Å; F132-V136 WeakPolarHBondContact O-CG2 3.38Å; F132-V136 PolarHBondContact O-N 3.13Å |
| 133 | E | 91.8 | Very high | 83.3 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.5 | -32.4 | 176.4 | -67.6 | 175 | 173.6 | 0 | 0 | 111.5 | P128 V129 N130 E131 A137 | P128-E133 HydrophobicContact CB-CB 3.97Å; V129-E133 PolarHBondContact N-OE2 3.28Å; N130-E133 HydrophobicContact CB-CB 4.33Å; N130-E133 HydrophobicContact CB-CG 4.03Å; N130-E133 PolarHBondContact N-OE2 2.98Å; N130-E133 WeakPolarHBondContact O-CB 3.32Å; N130-E133 PolarHBondContact O-N 3.06Å; E131-E133 VanDerWaalsContact C-N 3.28Å; E131-E133 PolarHBondContact O-N 3.14Å; E133-A137 WeakPolarHBondContact O-CB 3.24Å; E133-A137 PolarHBondContact O-N 3.13Å |
| 134 | A | 92.3 | Very high | 84.6 | Confident | 39 Ų | 39 | 104 Ų | 104 | 32% | 0.322 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P128 N130 E131 F132 A137 E138 | P128-A134 HydrophobicContact CB-CB 4.29Å; N130-A134 PolarHBondContact O-N 3.04Å; E131-A134 WeakPolarHBondContact O-CA 3.19Å; E131-A134 WeakPolarHBondContact O-CB 3.43Å; E131-A134 PolarHBondContact O-N 2.98Å; F132-A134 VanDerWaalsContact C-N 3.31Å; A134-A137 PolarHBondContact O-N 2.77Å; A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 PolarHBondContact O-N 3.27Å |
| 135 | E | 92.9 | Very high | 85.4 | Confident | 124 Ų | 124 | 99 Ų | 99 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 174.2 | -71 | 176.9 | -176.4 | 0 | 0 | 111.4 | E131 F132 A137 E138 A139 | E131-E135 PolarHBondContact O-N 3.28Å; F132-E135 PolarHBondContact O-N 2.87Å; E135-A137 VanDerWaalsContact C-N 3.35Å; E135-A137 PolarHBondContact O-N 3.04Å; E135-E138 PolarHBondContact O-N 2.71Å; E135-A139 WeakPolarHBondContact O-CB 3.3Å; E135-A139 PolarHBondContact O-N 2.65Å |
| 136 | V | 89.9 | Confident | 85.9 | Confident | 58 Ų | 58 | 95.2 Ų | 95.2 | 35% | 0.352 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.4 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | F132 E138 A139 L140 | F132-V136 HydrophobicContact CD1-CG2 4.25Å; F132-V136 HydrophobicContact CD2-CG2 4.33Å; F132-V136 HydrophobicContact CE1-CG2 3.82Å; F132-V136 HydrophobicContact CE2-CG2 3.91Å; F132-V136 HydrophobicContact CZ-CG2 3.63Å; F132-V136 WeakPolarHBondContact O-CB 3.36Å; F132-V136 VanDerWaalsContact O-CG2 3.22Å; F132-V136 WeakPolarHBondContact O-CG2 3.38Å; F132-V136 PolarHBondContact O-N 3.13Å; V136-E138 VanDerWaalsContact C-N 3.29Å; V136-E138 PolarHBondContact O-N 2.99Å; V136-A139 PolarHBondContact O-N 3.19Å; V136-L140 HydrophobicContact CG1-CD1 3.91Å; V136-L140 HydrophobicContact CG1-CG 4.41Å; V136-L140 WeakPolarHBondContact O-CB 3.28Å; V136-L140 VanDerWaalsContact O-CG 3.23Å; V136-L140 WeakPolarHBondContact O-CG 3.31Å; V136-L140 PolarHBondContact O-N 2.98Å |
| 137 | A | 87.5 | Confident | 86.1 | Confident | 27 Ų | 27 | 94.1 Ų | 94.1 | 22% | 0.223 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -67.5 | -29.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E133 A134 E135 R141 | E133-A137 WeakPolarHBondContact O-CB 3.24Å; E133-A137 PolarHBondContact O-N 3.13Å; A134-A137 PolarHBondContact O-N 2.77Å; E135-A137 VanDerWaalsContact C-N 3.35Å; E135-A137 PolarHBondContact O-N 3.04Å; A137-R141 WeakPolarHBondContact O-CB 3.28Å; A137-R141 VanDerWaalsContact O-CG 3.31Å; A137-R141 WeakPolarHBondContact O-CG 3.22Å; A137-R141 PolarHBondContact O-N 3.2Å; A137-R141 PolarHBondContact O-NE 3.23Å |
| 138 | E | 89.8 | Confident | 85.5 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.7 | -50 | 173.4 | -176.1 | 165.6 | -151.3 | 0 | 0 | 110.8 | A134 E135 V136 L140 R141 E142 | A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 PolarHBondContact O-N 3.27Å; E135-E138 PolarHBondContact O-N 2.71Å; V136-E138 VanDerWaalsContact C-N 3.29Å; V136-E138 PolarHBondContact O-N 2.99Å; E138-L140 VanDerWaalsContact C-N 3.27Å; E138-L140 PolarHBondContact O-N 3.13Å; E138-R141 CarbonylContact O-C 3.58Å; E138-R141 WeakPolarHBondContact O-CA 3.33Å; E138-R141 WeakPolarHBondContact O-CB 3.31Å; E138-R141 PolarHBondContact O-N 3.35Å; E138-E142 WeakPolarHBondContact O-CG 3.47Å; E138-E142 PolarHBondContact O-N 3.43Å |
| 139 | A | 88.2 | Confident | 84.6 | Confident | 48 Ų | 48 | 96.3 Ų | 96.3 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.4 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E135 V136 R141 E142 T143 | E135-A139 WeakPolarHBondContact O-CB 3.3Å; E135-A139 PolarHBondContact O-N 2.65Å; V136-A139 PolarHBondContact O-N 3.19Å; A139-R141 VanDerWaalsContact C-N 3.35Å; A139-E142 PolarHBondContact O-N 2.83Å; A139-T143 WeakPolarHBondContact O-CB 3.17Å; A139-T143 PolarHBondContact O-N 2.73Å; A139-T143 VanDerWaalsContact O-N 3.1Å; A139-T143 PolarHBondContact O-OG1 3.34Å |
| 140 | L | 83.8 | Confident | 83.7 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -31.7 | 174.4 | -74 | 171.2 | 0 | 0 | 0 | 112.8 | V136 E138 N146 | V136-L140 HydrophobicContact CG1-CD1 3.91Å; V136-L140 HydrophobicContact CG1-CG 4.41Å; V136-L140 WeakPolarHBondContact O-CB 3.28Å; V136-L140 VanDerWaalsContact O-CG 3.23Å; V136-L140 WeakPolarHBondContact O-CG 3.31Å; V136-L140 PolarHBondContact O-N 2.98Å; E138-L140 VanDerWaalsContact C-N 3.27Å; E138-L140 PolarHBondContact O-N 3.13Å; L140-N146 WeakPolarHBondContact CA-ND2 3.23Å; L140-N146 WeakPolarHBondContact CD2-ND2 3.31Å; L140-N146 PolarHBondContact O-ND2 3.3Å |
| 141 | R | 82.7 | Confident | 82.6 | Confident | 174 Ų | 174 | 96.1 Ų | 96.1 | 66% | 0.657 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -73.9 | -34.9 | 174.4 | -84.2 | 178.8 | -86 | 134.1 | -6.7 | 112.5 | A137 E138 A139 | A137-R141 WeakPolarHBondContact O-CB 3.28Å; A137-R141 VanDerWaalsContact O-CG 3.31Å; A137-R141 WeakPolarHBondContact O-CG 3.22Å; A137-R141 PolarHBondContact O-N 3.2Å; A137-R141 PolarHBondContact O-NE 3.23Å; E138-R141 CarbonylContact O-C 3.58Å; E138-R141 WeakPolarHBondContact O-CA 3.33Å; E138-R141 WeakPolarHBondContact O-CB 3.31Å; E138-R141 PolarHBondContact O-N 3.35Å; A139-R141 VanDerWaalsContact C-N 3.35Å |
| 142 | E | 84.9 | Confident | 81.4 | Confident | 142 Ų | 142 | 93 Ų | 93 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.8 | -30.1 | 178.1 | -70 | -179 | 170.4 | 0 | 0 | 112.7 | E138 A139 K144 | E138-E142 WeakPolarHBondContact O-CG 3.47Å; E138-E142 PolarHBondContact O-N 3.43Å; A139-E142 PolarHBondContact O-N 2.83Å; E142-K144 PolarHBondContact O-N 2.8Å; E142-K144 VanDerWaalsContact O-N 3.15Å |
| 143 | T | 84.4 | Confident | 81 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 36% | 0.362 | 45% | 0.454 | S | S | . | . | trans | -78.1 | 102.9 | -176.3 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | A139 S145 N146 | A139-T143 WeakPolarHBondContact O-CB 3.17Å; A139-T143 PolarHBondContact O-N 2.73Å; A139-T143 VanDerWaalsContact O-N 3.1Å; A139-T143 PolarHBondContact O-OG1 3.34Å; T143-S145 PolarHBondContact O-N 3.04Å; T143-S145 VanDerWaalsContact O-N 3.11Å; T143-N146 WeakPolarHBondContact CB-ND2 3.35Å; T143-N146 PolarHBondContact O-N 3.29Å; T143-N146 PolarHBondContact O-ND2 3.4Å | ||
| 144 | K | 81.4 | Confident | 80.7 | Confident | 81 Ų | 81 | 83.2 Ų | 83.2 | 35% | 0.352 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.3 | 177.3 | -65.8 | -175 | -178.9 | -170.8 | 0 | 114.9 | E142 N146 T154 E155 E156 E159 | E142-K144 PolarHBondContact O-N 2.8Å; E142-K144 VanDerWaalsContact O-N 3.15Å; K144-N146 VanDerWaalsContact C-N 3.35Å; K144-T154 WeakPolarHBondContact O-CB 3.31Å; K144-E155 HydrophobicContact CB-CB 3.97Å; K144-E155 HydrophobicContact CG-CB 4.32Å; K144-E155 PolarHBondContact O-N 3.4Å; K144-E156 HydrophobicContact CB-CG 3.62Å; K144-E156 WeakPolarHBondContact CB-OE1 3.42Å; K144-E156 HydrophobicContact CD-CG 4.3Å; K144-E156 PolarHBondContact O-N 2.86Å; K144-E159 IonicContact NZ-OE1 3.83Å; K144-E159 PolarHBondContact NZ-OE1 3.39Å; K144-E159 IonicContact NZ-OE2 2.88Å; K144-E159 PolarHBondContact NZ-OE2 2.81Å |
| 145 | S | 78.1 | Confident | 80.3 | Confident | 42 Ų | 42 | 86.5 Ų | 86.5 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.7 | 178.6 | -180 | 0 | 0 | 0 | 0 | 114.1 | T143 T154 E156 | T143-S145 PolarHBondContact O-N 3.04Å; T143-S145 VanDerWaalsContact O-N 3.11Å; S145-T154 WeakPolarHBondContact O-CG2 3.47Å; S145-E156 PolarHBondContact N-OE1 3.17Å |
| 146 | N | 74.1 | Confident | 79.9 | Confident | 44 Ų | 44 | 84.6 Ų | 84.6 | 24% | 0.235 | 44% | 0.435 | C | S | . | . | trans | -76.5 | 137.6 | -177.7 | -71.5 | -29.7 | 0 | 0 | 0 | 112.6 | L140 T143 K144 | L140-N146 WeakPolarHBondContact CA-ND2 3.23Å; L140-N146 WeakPolarHBondContact CD2-ND2 3.31Å; L140-N146 PolarHBondContact O-ND2 3.3Å; T143-N146 WeakPolarHBondContact CB-ND2 3.35Å; T143-N146 PolarHBondContact O-N 3.29Å; T143-N146 PolarHBondContact O-ND2 3.4Å; K144-N146 VanDerWaalsContact C-N 3.35Å | ||
| 147 | L | 71.5 | Confident | 79.8 | Confident | 84 Ų | 84 | 83.3 Ų | 83.3 | 44% | 0.44 | 43% | 0.425 | S | S | . | . | trans | -109.2 | 102.9 | 179.5 | -167.9 | 75.3 | 0 | 0 | 0 | 109.8 | C151 T154 | L147-C151 WeakPolarHBondContact CD1-O 3.49Å; L147-T154 HydrophobicContact CB-CG2 4.31Å; L147-T154 HydrophobicContact CD1-CG2 4.12Å | ||
| 148 | D | 68.8 | Low | 79.7 | Confident | 107 Ų | 107 | 86 Ų | 86 | 57% | 0.572 | 43% | 0.432 | S | S | * | . | trans | -77.4 | 159.5 | 171.7 | -62.7 | -32.9 | 0 | 0 | 0 | 111.5 | E150 C151 | D148-E150 PolarHBondContact O-N 3.28Å; D148-C151 HydrophobicContact CB-CB 4.39Å; D148-C151 PolarHBondContact O-N 2.82Å; D148-C151 VanDerWaalsContact O-N 3.11Å | ||
| 149 | N | 69.3 | Low | 79.7 | Confident | 183 Ų | 183 | 86 Ų | 86 | 98% | 0.979 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -58.8 | -22.5 | 177.4 | -68.3 | -37.2 | 0 | 0 | 0 | 113.5 | ||
| 150 | E | 68 | Low | 79.6 | Confident | 184 Ų | 184 | 89 Ų | 89 | 86% | 0.86 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -90.1 | -31.6 | 178.6 | -59.4 | -174.4 | 175.3 | 0 | 0 | 112.8 | D148 | D148-E150 PolarHBondContact O-N 3.28Š|
| 151 | C | 67.7 | Low | 79.8 | Confident | 44 Ų | 44 | 85.5 Ų | 85.5 | 30% | 0.297 | 42% | 0.423 | S | S | . | . | trans | -87.7 | 114.9 | -175.6 | -76.6 | 0 | 0 | 0 | 0 | 110 | L147 D148 V153 | L147-C151 WeakPolarHBondContact CD1-O 3.49Å; D148-C151 HydrophobicContact CB-CB 4.39Å; D148-C151 PolarHBondContact O-N 2.82Å; D148-C151 VanDerWaalsContact O-N 3.11Å; C151-V153 PolarHBondContact O-N 2.76Å | ||
| 152 | I | 71.7 | Confident | 80.1 | Confident | 94 Ų | 94 | 85 Ų | 85 | 48% | 0.482 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -73.7 | -21.8 | 177.3 | -53.1 | 167.7 | 0 | 0 | 0 | 111.7 | R177 R180 | I152-R177 HydrophobicContact CG2-CG 3.94Å; I152-R180 PolarHBondContact O-NH1 3.44Å |
| 153 | V | 81.5 | Confident | 80.4 | Confident | 13 Ų | 13 | 82.6 Ų | 82.6 | 8% | 0.079 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -140 | 134.4 | -170 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | C151 E157 K158 L161 L173 | C151-V153 PolarHBondContact O-N 2.76Å; V153-E157 WeakPolarHBondContact CA-OE2 3.38Å; V153-E157 HydrophobicContact CG1-CB 3.28Å; V153-E157 HydrophobicContact CG1-CG 4.38Å; V153-E157 WeakPolarHBondContact CG1-OE2 3.28Å; V153-K158 HydrophobicContact CB-CG 4.2Å; V153-K158 HydrophobicContact CG1-CG 3.87Å; V153-K158 VanDerWaalsContact O-CE 3.26Å; V153-K158 WeakPolarHBondContact O-CE 3.33Å; V153-L161 HydrophobicContact CG1-CD1 3.89Å; V153-L173 HydrophobicContact CG2-CD1 4.14Å; V153-L173 HydrophobicContact CG2-CG 4.38Å |
| 154 | T | 86.2 | Confident | 80.5 | Confident | 6 Ų | 6 | 83.7 Ų | 83.7 | 4% | 0.037 | 43% | 0.434 | C | S | . | . | trans | -68.5 | 163.4 | 177.5 | 64.3 | 0 | 0 | 0 | 0 | 110.6 | K144 S145 L147 E157 K158 | K144-T154 WeakPolarHBondContact O-CB 3.31Å; S145-T154 WeakPolarHBondContact O-CG2 3.47Å; L147-T154 HydrophobicContact CB-CG2 4.31Å; L147-T154 HydrophobicContact CD1-CG2 4.12Å; T154-E157 PolarHBondContact N-OE2 2.68Å; T154-E157 PolarHBondContact O-N 2.86Å; T154-E157 WeakPolarHBondContact OG1-CB 3.49Å; T154-E157 WeakPolarHBondContact OG1-CG 3.46Å; T154-E157 PolarHBondContact OG1-N 3.09Å; T154-E157 PolarHBondContact OG1-OE2 2.99Å; T154-K158 WeakPolarHBondContact O-CG 3.08Å; T154-K158 PolarHBondContact O-N 3.03Å | ||
| 155 | E | 84.4 | Confident | 81 | Confident | 107 Ų | 107 | 85.9 Ų | 85.9 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | -179 | -63.1 | -173.4 | 160.7 | 0 | 0 | 111.9 | K144 E157 K158 E159 | K144-E155 HydrophobicContact CB-CB 3.97Å; K144-E155 HydrophobicContact CG-CB 4.32Å; K144-E155 PolarHBondContact O-N 3.4Å; E155-E157 VanDerWaalsContact C-N 3.35Å; E155-E157 PolarHBondContact O-N 3.21Å; E155-K158 WeakPolarHBondContact O-CB 3.45Å; E155-K158 PolarHBondContact O-N 3.48Å; E155-K158 VanDerWaalsContact O-N 3.15Å; E155-E159 WeakPolarHBondContact O-CG 3.45Å; E155-E159 PolarHBondContact O-N 3.41Å |
| 156 | E | 85 | Confident | 81.5 | Confident | 85 Ų | 85 | 89.4 Ų | 89.4 | 40% | 0.397 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 171.2 | -81.4 | 164.6 | -148.9 | 0 | 0 | 112.2 | K144 S145 K158 E159 L160 | K144-E156 HydrophobicContact CB-CG 3.62Å; K144-E156 WeakPolarHBondContact CB-OE1 3.42Å; K144-E156 HydrophobicContact CD-CG 4.3Å; K144-E156 PolarHBondContact O-N 2.86Å; S145-E156 PolarHBondContact N-OE1 3.17Å; E156-K158 VanDerWaalsContact C-N 3.31Å; E156-K158 PolarHBondContact O-N 3.38Å; E156-E159 PolarHBondContact O-N 3.06Å; E156-L160 WeakPolarHBondContact O-CG 3.1Å; E156-L160 PolarHBondContact O-N 3.05Å |
| 157 | E | 86.6 | Confident | 82.2 | Confident | 30 Ų | 30 | 93.4 Ų | 93.4 | 14% | 0.14 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 176.7 | -74.1 | 168 | 170.9 | 0 | 0 | 111.5 | V153 T154 E155 L160 L161 L176 R180 | V153-E157 WeakPolarHBondContact CA-OE2 3.38Å; V153-E157 HydrophobicContact CG1-CB 3.28Å; V153-E157 HydrophobicContact CG1-CG 4.38Å; V153-E157 WeakPolarHBondContact CG1-OE2 3.28Å; T154-E157 PolarHBondContact N-OE2 2.68Å; T154-E157 PolarHBondContact O-N 2.86Å; T154-E157 WeakPolarHBondContact OG1-CB 3.49Å; T154-E157 WeakPolarHBondContact OG1-CG 3.46Å; T154-E157 PolarHBondContact OG1-N 3.09Å; T154-E157 PolarHBondContact OG1-OE2 2.99Å; E155-E157 VanDerWaalsContact C-N 3.35Å; E155-E157 PolarHBondContact O-N 3.21Å; E157-L160 PolarHBondContact O-N 2.86Å; E157-L161 WeakPolarHBondContact O-CB 3.19Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 3.35Å; E157-L176 HydrophobicContact CG-CD1 4.28Å; E157-R180 IonicContact OE1-CZ 3.06Å; E157-R180 IonicContact OE1-NH1 3.69Å; E157-R180 IonicContact OE1-NH2 3.52Å; E157-R180 PolarHBondContact OE1-NH2 3.4Å; E157-R180 IonicContact OE2-CZ 3.32Å; E157-R180 VanDerWaalsContact OE2-CZ 3.3Å; E157-R180 IonicContact OE2-NH1 3.19Å; E157-R180 PolarHBondContact OE2-NH1 2.75Å; E157-R180 IonicContact OE2-NH2 2.59Å; E157-R180 PolarHBondContact OE2-NH2 2.91Å |
| 158 | K | 86.4 | Confident | 83.2 | Confident | 84 Ų | 84 | 94.7 Ų | 94.7 | 37% | 0.365 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 174.1 | -71.7 | 169.9 | -170 | 161.4 | 0 | 111 | V153 T154 E155 E156 L161 Q162 | V153-K158 HydrophobicContact CB-CG 4.2Å; V153-K158 HydrophobicContact CG1-CG 3.87Å; V153-K158 VanDerWaalsContact O-CE 3.26Å; V153-K158 WeakPolarHBondContact O-CE 3.33Å; T154-K158 WeakPolarHBondContact O-CG 3.08Å; T154-K158 PolarHBondContact O-N 3.03Å; E155-K158 WeakPolarHBondContact O-CB 3.45Å; E155-K158 PolarHBondContact O-N 3.48Å; E155-K158 VanDerWaalsContact O-N 3.15Å; E156-K158 VanDerWaalsContact C-N 3.31Å; E156-K158 PolarHBondContact O-N 3.38Å; K158-L161 PolarHBondContact O-N 3.22Å; K158-Q162 WeakPolarHBondContact O-CG 3.34Å; K158-Q162 PolarHBondContact O-N 3.45Å |
| 159 | E | 88.5 | Confident | 84.2 | Confident | 99 Ų | 99 | 90.4 Ų | 90.4 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 176.4 | -72.1 | 176.6 | -177.9 | 0 | 0 | 111 | K144 E155 E156 Q162 A163 | K144-E159 IonicContact NZ-OE1 3.83Å; K144-E159 PolarHBondContact NZ-OE1 3.39Å; K144-E159 IonicContact NZ-OE2 2.88Å; K144-E159 PolarHBondContact NZ-OE2 2.81Å; E155-E159 WeakPolarHBondContact O-CG 3.45Å; E155-E159 PolarHBondContact O-N 3.41Å; E156-E159 PolarHBondContact O-N 3.06Å; E159-Q162 PolarHBondContact O-N 3.38Å; E159-A163 PolarHBondContact O-N 2.93Å |
| 160 | L | 87.4 | Confident | 85.1 | Confident | 110 Ų | 110 | 88 Ų | 88 | 58% | 0.576 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 175.3 | -70.5 | 171.7 | 0 | 0 | 0 | 112.5 | E156 E157 Q162 A163 M164 | E156-L160 WeakPolarHBondContact O-CG 3.1Å; E156-L160 PolarHBondContact O-N 3.05Å; E157-L160 PolarHBondContact O-N 2.86Å; L160-Q162 VanDerWaalsContact C-N 3.31Å; L160-Q162 PolarHBondContact O-N 2.81Å; L160-A163 PolarHBondContact O-N 3.2Å; L160-M164 WeakPolarHBondContact O-CG 3.14Å; L160-M164 PolarHBondContact O-N 3.47Å |
| 161 | L | 87.9 | Confident | 86.2 | Confident | 24 Ų | 24 | 81.1 Ų | 81.1 | 13% | 0.126 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.2 | -31.8 | 177.9 | -72.2 | 172.8 | 0 | 0 | 0 | 112.6 | V153 E157 K158 A163 M164 A169 V172 L173 | V153-L161 HydrophobicContact CG1-CD1 3.89Å; E157-L161 WeakPolarHBondContact O-CB 3.19Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 3.35Å; K158-L161 PolarHBondContact O-N 3.22Å; L161-A163 VanDerWaalsContact C-N 3.35Å; L161-M164 PolarHBondContact O-N 3.03Å; L161-A169 HydrophobicContact CB-CB 4.48Å; L161-A169 HydrophobicContact CD2-CB 4.05Å; L161-A169 WeakPolarHBondContact CD2-O 3.14Å; L161-V172 HydrophobicContact CD2-CB 3.87Å; L161-V172 HydrophobicContact CD2-CG1 3.8Å; L161-L173 HydrophobicContact CD1-CB 4.33Å; L161-L173 HydrophobicContact CD1-CD1 4.21Å; L161-L173 HydrophobicContact CD2-CB 4.49Å |
| 162 | Q | 89.1 | Confident | 87 | Confident | 163 Ų | 163 | 80.7 Ų | 80.7 | 76% | 0.762 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.5 | -31.7 | 176 | -76.2 | 177.8 | 10.9 | 0 | 0 | 112.7 | K158 E159 L160 M164 | K158-Q162 WeakPolarHBondContact O-CG 3.34Å; K158-Q162 PolarHBondContact O-N 3.45Å; E159-Q162 PolarHBondContact O-N 3.38Å; L160-Q162 VanDerWaalsContact C-N 3.31Å; L160-Q162 PolarHBondContact O-N 2.81Å; Q162-M164 VanDerWaalsContact C-N 3.29Å; Q162-M164 PolarHBondContact O-N 2.7Å |
| 163 | A | 91.6 | Very high | 87.8 | Confident | 91 Ų | 91 | 78.1 Ų | 78.1 | 75% | 0.752 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -74.2 | -18.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E159 L160 L161 | E159-A163 PolarHBondContact O-N 2.93Å; L160-A163 PolarHBondContact O-N 3.2Å; L161-A163 VanDerWaalsContact C-N 3.35Å |
| 164 | M | 85.7 | Confident | 88.1 | Confident | 82 Ų | 82 | 82.2 Ų | 82.2 | 40% | 0.404 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -89.1 | 162.8 | -177 | -67.9 | 178.2 | -178.6 | 0 | 0 | 113.2 | L160 L161 Q162 A169 V172 | L160-M164 WeakPolarHBondContact O-CG 3.14Å; L160-M164 PolarHBondContact O-N 3.47Å; L161-M164 PolarHBondContact O-N 3.03Å; Q162-M164 VanDerWaalsContact C-N 3.29Å; Q162-M164 PolarHBondContact O-N 2.7Å; M164-A169 HydrophobicContact CB-CB 4.34Å; M164-V172 HydrophobicContact SD-CG2 3.96Å |
| 165 | K | 91.6 | Very high | 88.1 | Confident | 127 Ų | 127 | 90.6 Ų | 90.6 | 55% | 0.552 | 45% | 0.45 | S | S | * | . | trans | -65.9 | 146.6 | 170.4 | -169 | -175.1 | 178.9 | -151.9 | 0 | 110.1 | E167 E168 A169 | K165-E167 VanDerWaalsContact C-N 3.28Å; K165-E167 IonicContact NZ-OE2 3.92Å; K165-E167 PolarHBondContact NZ-OE2 3.3Å; K165-E167 PolarHBondContact O-N 3.45Å; K165-E167 VanDerWaalsContact O-N 3.12Å; K165-E168 HydrophobicContact CB-CG 4.39Å; K165-E168 PolarHBondContact O-N 2.98Å; K165-A169 WeakPolarHBondContact O-CB 3.24Å; K165-A169 PolarHBondContact O-N 3.32Å | ||
| 166 | L | 87.7 | Confident | 88.2 | Confident | 117 Ų | 117 | 86.8 Ų | 86.8 | 61% | 0.613 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -51.8 | -39.4 | -176.5 | -177.7 | 150.7 | 0 | 0 | 0 | 114.6 | K170 | L166-K170 HydrophobicContact CD2-CD 4.01Å; L166-K170 WeakPolarHBondContact O-CG 3.39Å; L166-K170 PolarHBondContact O-N 3.38Å; L166-K170 VanDerWaalsContact O-N 3.15Å |
| 167 | E | 90.5 | Very high | 88.1 | Confident | 127 Ų | 127 | 88.3 Ų | 88.3 | 59% | 0.593 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.7 | -44 | 178.8 | -67.3 | 172.4 | 156.5 | 0 | 0 | 111.9 | K165 K170 A171 | K165-E167 VanDerWaalsContact C-N 3.28Å; K165-E167 IonicContact NZ-OE2 3.92Å; K165-E167 PolarHBondContact NZ-OE2 3.3Å; K165-E167 PolarHBondContact O-N 3.45Å; K165-E167 VanDerWaalsContact O-N 3.12Å; E167-K170 PolarHBondContact O-N 3.36Å; E167-A171 PolarHBondContact O-N 2.93Å; E167-A171 VanDerWaalsContact O-N 3.09Å |
| 168 | E | 90.9 | Very high | 88 | Confident | 112 Ų | 112 | 92.5 Ų | 92.5 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 178.1 | -65.6 | 173.7 | 171.8 | 0 | 0 | 110.6 | K165 K170 A171 V172 | K165-E168 HydrophobicContact CB-CG 4.39Å; K165-E168 PolarHBondContact O-N 2.98Å; E168-K170 VanDerWaalsContact C-N 3.32Å; E168-K170 PolarHBondContact O-N 2.66Å; E168-A171 WeakPolarHBondContact O-CB 3.11Å; E168-A171 PolarHBondContact O-N 3.06Å; E168-A171 VanDerWaalsContact O-N 3.08Å; E168-V172 WeakPolarHBondContact O-CG2 3.29Å; E168-V172 PolarHBondContact O-N 2.73Å |
| 169 | A | 90.2 | Very high | 87.9 | Confident | 17 Ų | 17 | 92.8 Ų | 92.8 | 14% | 0.14 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L161 M164 K165 L173 | L161-A169 HydrophobicContact CB-CB 4.48Å; L161-A169 HydrophobicContact CD2-CB 4.05Å; L161-A169 WeakPolarHBondContact CD2-O 3.14Å; M164-A169 HydrophobicContact CB-CB 4.34Å; K165-A169 WeakPolarHBondContact O-CB 3.24Å; K165-A169 PolarHBondContact O-N 3.32Å; A169-L173 VanDerWaalsContact O-CB 3.28Å; A169-L173 WeakPolarHBondContact O-CB 3.43Å; A169-L173 PolarHBondContact O-N 3Å |
| 170 | K | 88.8 | Confident | 87.6 | Confident | 131 Ų | 131 | 91 Ų | 91 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 174 | -76.6 | 177.3 | 179.1 | 178.7 | 0 | 112.2 | L166 E167 E168 N174 | L166-K170 HydrophobicContact CD2-CD 4.01Å; L166-K170 WeakPolarHBondContact O-CG 3.39Å; L166-K170 PolarHBondContact O-N 3.38Å; L166-K170 VanDerWaalsContact O-N 3.15Å; E167-K170 PolarHBondContact O-N 3.36Å; E168-K170 VanDerWaalsContact C-N 3.32Å; E168-K170 PolarHBondContact O-N 2.66Å; K170-N174 WeakPolarHBondContact O-CB 3.35Å; K170-N174 VanDerWaalsContact O-CG 3.29Å; K170-N174 PolarHBondContact O-N 3.06Å; K170-N174 PolarHBondContact O-ND2 3.08Å |
| 171 | A | 90.5 | Very high | 87.4 | Confident | 40 Ų | 40 | 87.8 Ų | 87.8 | 33% | 0.331 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E167 E168 N174 R175 | E167-A171 PolarHBondContact O-N 2.93Å; E167-A171 VanDerWaalsContact O-N 3.09Å; E168-A171 WeakPolarHBondContact O-CB 3.11Å; E168-A171 PolarHBondContact O-N 3.06Å; E168-A171 VanDerWaalsContact O-N 3.08Å; A171-N174 PolarHBondContact O-N 3.41Å; A171-R175 VanDerWaalsContact O-CG 3.31Å; A171-R175 WeakPolarHBondContact O-CG 3.46Å; A171-R175 PolarHBondContact O-N 3.03Å |
| 172 | V | 86 | Confident | 87.2 | Confident | 35 Ų | 35 | 90.1 Ų | 90.1 | 21% | 0.212 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L161 M164 E168 N174 R175 L176 | L161-V172 HydrophobicContact CD2-CB 3.87Å; L161-V172 HydrophobicContact CD2-CG1 3.8Å; M164-V172 HydrophobicContact SD-CG2 3.96Å; E168-V172 WeakPolarHBondContact O-CG2 3.29Å; E168-V172 PolarHBondContact O-N 2.73Å; V172-N174 VanDerWaalsContact C-N 3.34Å; V172-N174 PolarHBondContact O-N 3.09Å; V172-R175 WeakPolarHBondContact O-CB 3.4Å; V172-R175 PolarHBondContact O-N 3.12Å; V172-R175 VanDerWaalsContact O-N 3.14Å; V172-L176 HydrophobicContact CG1-CD1 3.99Å; V172-L176 HydrophobicContact CG1-CG 4.3Å; V172-L176 WeakPolarHBondContact O-CG 3.31Å; V172-L176 PolarHBondContact O-N 3.39Å |
| 173 | L | 87.9 | Confident | 87 | Confident | 41 Ų | 41 | 84 Ų | 84 | 22% | 0.215 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 177.9 | -177.5 | 155.6 | 0 | 0 | 0 | 112.3 | V153 L161 A169 L176 R177 | V153-L173 HydrophobicContact CG2-CD1 4.14Å; V153-L173 HydrophobicContact CG2-CG 4.38Å; L161-L173 HydrophobicContact CD1-CB 4.33Å; L161-L173 HydrophobicContact CD1-CD1 4.21Å; L161-L173 HydrophobicContact CD2-CB 4.49Å; A169-L173 VanDerWaalsContact O-CB 3.28Å; A169-L173 WeakPolarHBondContact O-CB 3.43Å; A169-L173 PolarHBondContact O-N 3Å; L173-L176 PolarHBondContact O-N 2.78Å; L173-R177 HydrophobicContact CD2-CG 4.3Å; L173-R177 VanDerWaalsContact CD2-NE 3.31Å; L173-R177 WeakPolarHBondContact O-CG 3.28Å; L173-R177 PolarHBondContact O-N 2.85Å |
| 174 | N | 87.2 | Confident | 86.4 | Confident | 99 Ų | 99 | 83.3 Ų | 83.3 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.3 | -75.1 | -19.6 | 0 | 0 | 0 | 111.9 | K170 A171 V172 H178 | K170-N174 WeakPolarHBondContact O-CB 3.35Å; K170-N174 VanDerWaalsContact O-CG 3.29Å; K170-N174 PolarHBondContact O-N 3.06Å; K170-N174 PolarHBondContact O-ND2 3.08Å; A171-N174 PolarHBondContact O-N 3.41Å; V172-N174 VanDerWaalsContact C-N 3.34Å; V172-N174 PolarHBondContact O-N 3.09Å; N174-H178 WeakPolarHBondContact O-CB 3.4Å; N174-H178 PolarHBondContact O-N 3.04Å |
| 175 | R | 86.1 | Confident | 86.2 | Confident | 181 Ų | 181 | 87.6 Ų | 87.6 | 68% | 0.683 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | 175.1 | -70.9 | 172.9 | -172.9 | 174.6 | 2.9 | 111.7 | A171 V172 H178 F179 | A171-R175 VanDerWaalsContact O-CG 3.31Å; A171-R175 WeakPolarHBondContact O-CG 3.46Å; A171-R175 PolarHBondContact O-N 3.03Å; V172-R175 WeakPolarHBondContact O-CB 3.4Å; V172-R175 PolarHBondContact O-N 3.12Å; V172-R175 VanDerWaalsContact O-N 3.14Å; R175-H178 PolarHBondContact O-N 3.12Å; R175-F179 WeakPolarHBondContact O-CB 3.31Å; R175-F179 PolarHBondContact O-N 2.85Å |
| 176 | L | 86.5 | Confident | 86 | Confident | 27 Ų | 27 | 87.1 Ų | 87.1 | 14% | 0.141 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 177.7 | -74 | 172.6 | 0 | 0 | 0 | 111.9 | E157 V172 L173 H178 F179 R180 L324 | E157-L176 HydrophobicContact CG-CD1 4.28Å; V172-L176 HydrophobicContact CG1-CD1 3.99Å; V172-L176 HydrophobicContact CG1-CG 4.3Å; V172-L176 WeakPolarHBondContact O-CG 3.31Å; V172-L176 PolarHBondContact O-N 3.39Å; L173-L176 PolarHBondContact O-N 2.78Å; L176-H178 VanDerWaalsContact C-N 3.34Å; L176-H178 PolarHBondContact O-N 3.15Å; L176-F179 PolarHBondContact O-N 3.22Å; L176-R180 WeakPolarHBondContact O-CB 3.37Å; L176-R180 WeakPolarHBondContact O-CG 3.43Å; L176-R180 PolarHBondContact O-N 3.2Å; L176-L324 HydrophobicContact CD2-CD1 4.44Å |
| 177 | R | 83.3 | Confident | 85.8 | Confident | 117 Ų | 117 | 85.1 Ų | 85.1 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 175.6 | -76.8 | -179.6 | 179.6 | 174.5 | -2.2 | 111.8 | I152 L173 A181 | I152-R177 HydrophobicContact CG2-CG 3.94Å; L173-R177 HydrophobicContact CD2-CG 4.3Å; L173-R177 VanDerWaalsContact CD2-NE 3.31Å; L173-R177 WeakPolarHBondContact O-CG 3.28Å; L173-R177 PolarHBondContact O-N 2.85Å; R177-A181 WeakPolarHBondContact O-CB 3.33Å; R177-A181 PolarHBondContact O-N 2.85Å |
| 178 | H | 83.6 | Confident | 85.7 | Confident | 119 Ų | 119 | 81.8 Ų | 81.8 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.5 | -46.9 | 178.9 | -175 | 67.2 | 0 | 0 | 0 | 111.4 | N174 R175 L176 A181 L182 | N174-H178 WeakPolarHBondContact O-CB 3.4Å; N174-H178 PolarHBondContact O-N 3.04Å; R175-H178 PolarHBondContact O-N 3.12Å; L176-H178 VanDerWaalsContact C-N 3.34Å; L176-H178 PolarHBondContact O-N 3.15Å; H178-A181 PolarHBondContact O-N 3.49Å; H178-L182 WeakPolarHBondContact NE2-CD1 3.4Å; H178-L182 WeakPolarHBondContact O-CG 3.15Å; H178-L182 PolarHBondContact O-N 3.04Å |
| 179 | F | 84.6 | Confident | 85.6 | Confident | 89 Ų | 89 | 82.5 Ų | 82.5 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 178.8 | -174.8 | -89.9 | 0 | 0 | 0 | 112.4 | R175 L176 A181 L182 A183 L324 | R175-F179 WeakPolarHBondContact O-CB 3.31Å; R175-F179 PolarHBondContact O-N 2.85Å; L176-F179 PolarHBondContact O-N 3.22Å; F179-A181 PolarHBondContact O-N 3.26Å; F179-L182 PolarHBondContact O-N 2.83Å; F179-A183 WeakPolarHBondContact O-CB 3.42Å; F179-A183 PolarHBondContact O-N 2.84Å; F179-L324 HydrophobicContact CD1-CD1 3.83Å; F179-L324 HydrophobicContact CD1-CD2 4.17Å; F179-L324 HydrophobicContact CE1-CD1 3.82Å; F179-L324 HydrophobicContact CE1-CD2 3.37Å; F179-L324 HydrophobicContact CE1-CG 4.24Å; F179-L324 HydrophobicContact CZ-CD2 3.56Å |
| 180 | R | 83.8 | Confident | 85.4 | Confident | 63 Ų | 63 | 85.9 Ų | 85.9 | 24% | 0.238 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 176.8 | -77.6 | -177.2 | 166.2 | 135.3 | 10 | 112.5 | I152 E157 L176 S184 | I152-R180 PolarHBondContact O-NH1 3.44Å; E157-R180 IonicContact OE1-CZ 3.06Å; E157-R180 IonicContact OE1-NH1 3.69Å; E157-R180 IonicContact OE1-NH2 3.52Å; E157-R180 PolarHBondContact OE1-NH2 3.4Å; E157-R180 IonicContact OE2-CZ 3.32Å; E157-R180 VanDerWaalsContact OE2-CZ 3.3Å; E157-R180 IonicContact OE2-NH1 3.19Å; E157-R180 PolarHBondContact OE2-NH1 2.75Å; E157-R180 IonicContact OE2-NH2 2.59Å; E157-R180 PolarHBondContact OE2-NH2 2.91Å; L176-R180 WeakPolarHBondContact O-CB 3.37Å; L176-R180 WeakPolarHBondContact O-CG 3.43Å; L176-R180 PolarHBondContact O-N 3.2Å; R180-S184 WeakPolarHBondContact O-CB 3.35Å; R180-S184 PolarHBondContact O-N 3.07Å |
| 181 | A | 82 | Confident | 85.3 | Confident | 42 Ų | 42 | 86.1 Ų | 86.1 | 35% | 0.347 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R177 H178 F179 A183 S184 Y185 | R177-A181 WeakPolarHBondContact O-CB 3.33Å; R177-A181 PolarHBondContact O-N 2.85Å; H178-A181 PolarHBondContact O-N 3.49Å; F179-A181 PolarHBondContact O-N 3.26Å; A181-A183 PolarHBondContact O-N 3.09Å; A181-S184 PolarHBondContact O-N 3.4Å; A181-Y185 HydrophobicContact CB-CD2 4.45Å; A181-Y185 HydrophobicContact CB-CE2 4.17Å; A181-Y185 WeakPolarHBondContact O-CD2 3.37Å; A181-Y185 PolarHBondContact O-N 3.01Å |
| 182 | L | 84.6 | Confident | 85.2 | Confident | 73 Ų | 73 | 92.7 Ų | 92.7 | 38% | 0.382 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 177.7 | -75.2 | 178.2 | 0 | 0 | 0 | 112.6 | H178 F179 S184 Y185 Q186 | H178-L182 WeakPolarHBondContact NE2-CD1 3.4Å; H178-L182 WeakPolarHBondContact O-CG 3.15Å; H178-L182 PolarHBondContact O-N 3.04Å; F179-L182 PolarHBondContact O-N 2.83Å; L182-S184 PolarHBondContact O-N 3.33Å; L182-Y185 PolarHBondContact O-N 3.12Å; L182-Q186 WeakPolarHBondContact O-CB 3.33Å; L182-Q186 VanDerWaalsContact O-CG 3.29Å; L182-Q186 WeakPolarHBondContact O-CG 3.26Å; L182-Q186 PolarHBondContact O-N 2.76Å |
| 183 | A | 84.9 | Confident | 85.1 | Confident | 34 Ų | 34 | 94.1 Ų | 94.1 | 28% | 0.281 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F179 A181 Y185 Q186 D187 | F179-A183 WeakPolarHBondContact O-CB 3.42Å; F179-A183 PolarHBondContact O-N 2.84Å; A181-A183 PolarHBondContact O-N 3.09Å; A183-Y185 PolarHBondContact O-N 2.77Å; A183-Q186 PolarHBondContact O-N 3.47Å; A183-D187 WeakPolarHBondContact O-CB 3.42Å; A183-D187 PolarHBondContact O-N 3.06Å |
| 184 | S | 78.1 | Confident | 84.8 | Confident | 76 Ų | 76 | 95.7 Ų | 95.7 | 53% | 0.531 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 112.8 | R180 A181 L182 D187 A188 | R180-S184 WeakPolarHBondContact O-CB 3.35Å; R180-S184 PolarHBondContact O-N 3.07Å; A181-S184 PolarHBondContact O-N 3.4Å; L182-S184 PolarHBondContact O-N 3.33Å; S184-D187 PolarHBondContact O-N 3.48Å; S184-A188 WeakPolarHBondContact O-CB 3.46Å; S184-A188 PolarHBondContact O-N 2.79Å |
| 185 | Y | 82.6 | Confident | 85 | Confident | 173 Ų | 173 | 98.8 Ų | 98.8 | 68% | 0.678 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64 | -42 | 175.9 | -73.2 | -57.7 | 0 | 0 | 0 | 112.3 | A181 L182 A183 A188 K189 | A181-Y185 HydrophobicContact CB-CD2 4.45Å; A181-Y185 HydrophobicContact CB-CE2 4.17Å; A181-Y185 WeakPolarHBondContact O-CD2 3.37Å; A181-Y185 PolarHBondContact O-N 3.01Å; L182-Y185 PolarHBondContact O-N 3.12Å; A183-Y185 PolarHBondContact O-N 2.77Å; Y185-A188 PolarHBondContact O-N 3.37Å; Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 2.75Å |
| 186 | Q | 86.7 | Confident | 85.1 | Confident | 116 Ų | 116 | 92 Ų | 92 | 54% | 0.542 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 176 | -73.4 | 178.6 | 14.7 | 0 | 0 | 111.2 | L182 A183 K189 N190 | L182-Q186 WeakPolarHBondContact O-CB 3.33Å; L182-Q186 VanDerWaalsContact O-CG 3.29Å; L182-Q186 WeakPolarHBondContact O-CG 3.26Å; L182-Q186 PolarHBondContact O-N 2.76Å; A183-Q186 PolarHBondContact O-N 3.47Å; Q186-K189 PolarHBondContact O-N 3.38Å; Q186-N190 WeakPolarHBondContact O-CB 3.33Å; Q186-N190 PolarHBondContact O-N 2.86Å; Q186-N190 PolarHBondContact O-ND2 3.18Å |
| 187 | D | 83.3 | Confident | 85.3 | Confident | 76 Ų | 76 | 98.5 Ų | 98.5 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 176.6 | -77 | -12.9 | 0 | 0 | 0 | 112.1 | A183 S184 K189 N190 K191 | A183-D187 WeakPolarHBondContact O-CB 3.42Å; A183-D187 PolarHBondContact O-N 3.06Å; S184-D187 PolarHBondContact O-N 3.48Å; D187-K189 VanDerWaalsContact C-N 3.34Å; D187-K189 PolarHBondContact O-N 3.49Å; D187-N190 PolarHBondContact O-N 2.99Å; D187-K191 WeakPolarHBondContact O-CB 3.47Å; D187-K191 VanDerWaalsContact O-CG 3.25Å; D187-K191 WeakPolarHBondContact O-CG 3.27Å; D187-K191 PolarHBondContact O-N 2.97Å |
| 188 | A | 87.8 | Confident | 85.7 | Confident | 57 Ų | 57 | 95.8 Ų | 95.8 | 47% | 0.471 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S184 Y185 R192 | S184-A188 WeakPolarHBondContact O-CB 3.46Å; S184-A188 PolarHBondContact O-N 2.79Å; Y185-A188 PolarHBondContact O-N 3.37Å; A188-R192 WeakPolarHBondContact O-CB 3.5Å; A188-R192 PolarHBondContact O-N 3.43Å |
| 189 | K | 88.5 | Confident | 86 | Confident | 126 Ų | 126 | 98.1 Ų | 98.1 | 55% | 0.548 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 176 | -175.9 | 177.8 | 179.7 | 179.4 | 0 | 111 | Y185 Q186 D187 R192 Q193 | Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 2.75Å; Q186-K189 PolarHBondContact O-N 3.38Å; D187-K189 VanDerWaalsContact C-N 3.34Å; D187-K189 PolarHBondContact O-N 3.49Å; K189-R192 PolarHBondContact O-N 2.88Å; K189-Q193 HydrophobicContact CG-CG 4.44Å; K189-Q193 WeakPolarHBondContact O-CB 3.32Å; K189-Q193 VanDerWaalsContact O-CG 3.27Å; K189-Q193 WeakPolarHBondContact O-CG 3.34Å; K189-Q193 PolarHBondContact O-N 3.41Å |
| 190 | N | 86.3 | Confident | 86.4 | Confident | 89 Ų | 89 | 103.2 Ų | 103.2 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 178.5 | -70.9 | -17.3 | 0 | 0 | 0 | 111.5 | Q186 D187 R192 Q193 S194 | Q186-N190 WeakPolarHBondContact O-CB 3.33Å; Q186-N190 PolarHBondContact O-N 2.86Å; Q186-N190 PolarHBondContact O-ND2 3.18Å; D187-N190 PolarHBondContact O-N 2.99Å; N190-R192 VanDerWaalsContact C-N 3.34Å; N190-R192 PolarHBondContact O-N 3.49Å; N190-Q193 PolarHBondContact O-N 3.3Å; N190-S194 WeakPolarHBondContact O-CB 3.48Å; N190-S194 PolarHBondContact O-N 3.39Å; N190-S194 PolarHBondContact O-OG 3.23Å |
| 191 | K | 88.3 | Confident | 86.8 | Confident | 135 Ų | 135 | 102.7 Ų | 102.7 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.8 | -41.4 | 173.6 | -74.6 | 172 | -177.9 | 172 | 0 | 111.9 | D187 S194 K195 | D187-K191 WeakPolarHBondContact O-CB 3.47Å; D187-K191 VanDerWaalsContact O-CG 3.25Å; D187-K191 WeakPolarHBondContact O-CG 3.27Å; D187-K191 PolarHBondContact O-N 2.97Å; K191-S194 PolarHBondContact O-OG 3.25Å; K191-S194 VanDerWaalsContact O-OG 3.05Å; K191-K195 WeakPolarHBondContact O-CB 3.38Å; K191-K195 VanDerWaalsContact O-CG 3.24Å; K191-K195 WeakPolarHBondContact O-CG 3.41Å; K191-K195 PolarHBondContact O-N 3.49Å |
| 192 | R | 86.4 | Confident | 87.1 | Confident | 179 Ų | 179 | 104.1 Ų | 104.1 | 68% | 0.675 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.8 | -48.2 | 175.1 | -178.3 | 175.5 | 176.1 | -99.7 | 2.9 | 111.1 | A188 K189 N190 S194 K195 I196 | A188-R192 WeakPolarHBondContact O-CB 3.5Å; A188-R192 PolarHBondContact O-N 3.43Å; K189-R192 PolarHBondContact O-N 2.88Å; N190-R192 VanDerWaalsContact C-N 3.34Å; N190-R192 PolarHBondContact O-N 3.49Å; R192-S194 PolarHBondContact O-N 3.29Å; R192-K195 PolarHBondContact O-N 3.15Å; R192-I196 WeakPolarHBondContact O-CG1 2.96Å; R192-I196 PolarHBondContact O-N 3.05Å; R192-I196 VanDerWaalsContact O-N 3.07Å |
| 193 | Q | 84.3 | Confident | 87.4 | Confident | 65 Ų | 65 | 109.2 Ų | 109.2 | 30% | 0.304 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | -179 | -71.4 | -174 | -4.6 | 0 | 0 | 112.7 | K189 N190 K195 I196 Y201 | K189-Q193 HydrophobicContact CG-CG 4.44Å; K189-Q193 WeakPolarHBondContact O-CB 3.32Å; K189-Q193 VanDerWaalsContact O-CG 3.27Å; K189-Q193 WeakPolarHBondContact O-CG 3.34Å; K189-Q193 PolarHBondContact O-N 3.41Å; N190-Q193 PolarHBondContact O-N 3.3Å; Q193-K195 VanDerWaalsContact C-N 3.32Å; Q193-K195 PolarHBondContact O-N 2.72Å; Q193-I196 PolarHBondContact O-N 3Å; Q193-Y201 VanDerWaalsContact CG-OH 3.23Å; Q193-Y201 WeakPolarHBondContact CG-OH 3.43Å |
| 194 | S | 82.6 | Confident | 87.7 | Confident | 73 Ų | 73 | 110.7 Ų | 110.7 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.9 | -29.8 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 113 | N190 K191 R192 K197 | N190-S194 WeakPolarHBondContact O-CB 3.48Å; N190-S194 PolarHBondContact O-N 3.39Å; N190-S194 PolarHBondContact O-OG 3.23Å; K191-S194 PolarHBondContact O-OG 3.25Å; K191-S194 VanDerWaalsContact O-OG 3.05Å; R192-S194 PolarHBondContact O-N 3.29Å; S194-K197 WeakPolarHBondContact O-CE 3.4Å; S194-K197 PolarHBondContact O-NZ 2.82Å |
| 195 | K | 90.6 | Very high | 88.4 | Confident | 164 Ų | 164 | 109.3 Ų | 109.3 | 71% | 0.713 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76.4 | -23.1 | 173.8 | -73.1 | 176.7 | -177.8 | -175.3 | 0 | 113.3 | K191 R192 Q193 K197 | K191-K195 WeakPolarHBondContact O-CB 3.38Å; K191-K195 VanDerWaalsContact O-CG 3.24Å; K191-K195 WeakPolarHBondContact O-CG 3.41Å; K191-K195 PolarHBondContact O-N 3.49Å; R192-K195 PolarHBondContact O-N 3.15Å; Q193-K195 VanDerWaalsContact C-N 3.32Å; Q193-K195 PolarHBondContact O-N 2.72Å; K195-K197 PolarHBondContact O-N 3.36Å; K195-K197 VanDerWaalsContact O-N 3.08Å |
| 196 | I | 89.2 | Confident | 88.7 | Confident | 38 Ų | 38 | 107.1 Ų | 107.1 | 20% | 0.195 | 49% | 0.494 | C | S | . | . | trans | -68.6 | 109.8 | 174.5 | -62.3 | 166.1 | 0 | 0 | 0 | 108.5 | R192 Q193 Y201 H202 | R192-I196 WeakPolarHBondContact O-CG1 2.96Å; R192-I196 PolarHBondContact O-N 3.05Å; R192-I196 VanDerWaalsContact O-N 3.07Å; Q193-I196 PolarHBondContact O-N 3Å; I196-Y201 HydrophobicContact CB-CD1 3.87Å; I196-Y201 HydrophobicContact CB-CE1 4.09Å; I196-Y201 HydrophobicContact CB-CG 4.25Å; I196-Y201 HydrophobicContact CD1-CD1 4.48Å; I196-Y201 HydrophobicContact CD1-CD2 4.1Å; I196-Y201 HydrophobicContact CD1-CE1 4.26Å; I196-Y201 HydrophobicContact CD1-CE2 3.87Å; I196-Y201 HydrophobicContact CD1-CG 4.41Å; I196-Y201 HydrophobicContact CG2-CD1 3.39Å; I196-Y201 HydrophobicContact CG2-CD2 4.09Å; I196-Y201 HydrophobicContact CG2-CE1 4.1Å; I196-Y201 HydrophobicContact CG2-CG 3.39Å; I196-H202 PolarHBondContact O-CE1 2.69Å; I196-H202 PolarHBondContact O-NE2 3.37Å | ||
| 197 | K | 90.4 | Very high | 88.9 | Confident | 164 Ų | 164 | 105.7 Ų | 105.7 | 71% | 0.713 | 49% | 0.488 | S | S | * | . | trans | -101.4 | 5.7 | 177.6 | -55.5 | -51.9 | -173.4 | -170 | 0 | 113.8 | S194 K195 K199 | S194-K197 WeakPolarHBondContact O-CE 3.4Å; S194-K197 PolarHBondContact O-NZ 2.82Å; K195-K197 PolarHBondContact O-N 3.36Å; K195-K197 VanDerWaalsContact O-N 3.08Å; K197-K199 PolarHBondContact O-N 3.36Å | ||
| 198 | S | 90.8 | Very high | 89.3 | Confident | 60 Ų | 60 | 106.5 Ų | 106.5 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | trans | -70.8 | 131.3 | -174.4 | 80.3 | 0 | 0 | 0 | 0 | 111 | R200 Y201 H202 | S198-R200 PolarHBondContact O-N 2.69Å; S198-Y201 PolarHBondContact O-N 2.98Å; S198-Y201 WeakPolarHBondContact OG-CB 3.38Å; S198-Y201 PolarHBondContact OG-N 3.02Å; S198-H202 PolarHBondContact O-CD2 3.06Å; S198-H202 VanDerWaalsContact O-CD2 3.29Å; S198-H202 PolarHBondContact O-N 3.29Å | ||
| 199 | K | 89.9 | Confident | 89.3 | Confident | 169 Ų | 169 | 108.7 Ų | 108.7 | 74% | 0.735 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.1 | -37.6 | 178.1 | -69.3 | -178.4 | -179.8 | 175.8 | 0 | 111.6 | K197 H202 R203 | K197-K199 PolarHBondContact O-N 3.36Å; K199-H202 PolarHBondContact O-N 2.59Å; K199-R203 VanDerWaalsContact O-CG 3.29Å; K199-R203 WeakPolarHBondContact O-CG 3.46Å; K199-R203 PolarHBondContact O-N 2.83Å |
| 200 | R | 93.2 | Very high | 89 | Confident | 196 Ų | 196 | 109.8 Ų | 109.8 | 74% | 0.74 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.8 | -46.8 | 178 | -173.5 | 179.3 | 177.9 | -154.3 | 0.3 | 111.4 | S198 H202 R203 I204 | S198-R200 PolarHBondContact O-N 2.69Å; R200-H202 PolarHBondContact O-N 3.34Å; R200-R203 PolarHBondContact O-N 3.14Å; R200-I204 HydrophobicContact CG-CD1 3.87Å; R200-I204 WeakPolarHBondContact O-CG1 3.46Å; R200-I204 PolarHBondContact O-N 3.4Å |
| 201 | Y | 92.5 | Very high | 89.2 | Confident | 51 Ų | 51 | 113.6 Ų | 113.6 | 20% | 0.2 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -58 | -49.8 | 176.8 | 173.1 | -101.6 | 0 | 0 | 0 | 111.6 | Q193 I196 S198 R203 I204 L205 | Q193-Y201 VanDerWaalsContact CG-OH 3.23Å; Q193-Y201 WeakPolarHBondContact CG-OH 3.43Å; I196-Y201 HydrophobicContact CB-CD1 3.87Å; I196-Y201 HydrophobicContact CB-CE1 4.09Å; I196-Y201 HydrophobicContact CB-CG 4.25Å; I196-Y201 HydrophobicContact CD1-CD1 4.48Å; I196-Y201 HydrophobicContact CD1-CD2 4.1Å; I196-Y201 HydrophobicContact CD1-CE1 4.26Å; I196-Y201 HydrophobicContact CD1-CE2 3.87Å; I196-Y201 HydrophobicContact CD1-CG 4.41Å; I196-Y201 HydrophobicContact CG2-CD1 3.39Å; I196-Y201 HydrophobicContact CG2-CD2 4.09Å; I196-Y201 HydrophobicContact CG2-CE1 4.1Å; I196-Y201 HydrophobicContact CG2-CG 3.39Å; S198-Y201 PolarHBondContact O-N 2.98Å; S198-Y201 WeakPolarHBondContact OG-CB 3.38Å; S198-Y201 PolarHBondContact OG-N 3.02Å; Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 3.45Å; Y201-I204 PolarHBondContact O-N 3.37Å; Y201-L205 HydrophobicContact CE1-CD2 4.04Å; Y201-L205 WeakPolarHBondContact O-CB 3.47Å; Y201-L205 PolarHBondContact O-N 2.97Å |
| 202 | H | 88.5 | Confident | 89.3 | Confident | 73 Ų | 73 | 115.3 Ų | 115.3 | 34% | 0.338 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.1 | -30.4 | 179.9 | -66.1 | -60.6 | 0 | 0 | 0 | 113.6 | I196 S198 K199 R200 K206 | I196-H202 PolarHBondContact O-CE1 2.69Å; I196-H202 PolarHBondContact O-NE2 3.37Å; S198-H202 PolarHBondContact O-CD2 3.06Å; S198-H202 VanDerWaalsContact O-CD2 3.29Å; S198-H202 PolarHBondContact O-N 3.29Å; K199-H202 PolarHBondContact O-N 2.59Å; R200-H202 PolarHBondContact O-N 3.34Å; H202-K206 WeakPolarHBondContact O-CB 3.32Å; H202-K206 VanDerWaalsContact O-CG 3.23Å; H202-K206 WeakPolarHBondContact O-CG 3.03Å; H202-K206 PolarHBondContact O-N 3.41Å |
| 203 | R | 91.6 | Very high | 89.3 | Confident | 180 Ų | 180 | 112.2 Ų | 112.2 | 68% | 0.679 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -48.1 | 171.8 | -75.4 | 176.2 | -173.1 | 179.9 | 1.2 | 111.1 | K199 R200 Y201 K206 Q207 | K199-R203 VanDerWaalsContact O-CG 3.29Å; K199-R203 WeakPolarHBondContact O-CG 3.46Å; K199-R203 PolarHBondContact O-N 2.83Å; R200-R203 PolarHBondContact O-N 3.14Å; Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 3.45Å; R203-K206 PolarHBondContact O-N 2.91Å; R203-Q207 WeakPolarHBondContact O-CB 3.37Å; R203-Q207 PolarHBondContact O-N 2.76Å |
| 204 | I | 90.8 | Very high | 89.4 | Confident | 65 Ų | 65 | 117 Ų | 117 | 33% | 0.333 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 178.1 | -66.1 | 168.5 | 0 | 0 | 0 | 110.4 | R200 Y201 K206 Q207 Q208 | R200-I204 HydrophobicContact CG-CD1 3.87Å; R200-I204 WeakPolarHBondContact O-CG1 3.46Å; R200-I204 PolarHBondContact O-N 3.4Å; Y201-I204 PolarHBondContact O-N 3.37Å; I204-K206 PolarHBondContact O-N 2.97Å; I204-Q207 CarbonylContact O-C 3.42Å; I204-Q207 WeakPolarHBondContact O-CA 3.44Å; I204-Q207 WeakPolarHBondContact O-CB 3.35Å; I204-Q207 PolarHBondContact O-N 2.83Å; I204-Q207 VanDerWaalsContact O-N 3.07Å; I204-Q208 HydrophobicContact CG2-CG 4.3Å; I204-Q208 WeakPolarHBondContact O-CG 3.38Å; I204-Q208 PolarHBondContact O-N 3.49Å |
| 205 | L | 92 | Very high | 89.8 | Confident | 47 Ų | 47 | 120 Ų | 120 | 25% | 0.246 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 177.5 | -177.3 | 67.3 | 0 | 0 | 0 | 111.6 | Y201 Q207 Q208 Q209 | Y201-L205 HydrophobicContact CE1-CD2 4.04Å; Y201-L205 WeakPolarHBondContact O-CB 3.47Å; Y201-L205 PolarHBondContact O-N 2.97Å; L205-Q207 VanDerWaalsContact C-N 3.32Å; L205-Q207 PolarHBondContact O-N 2.83Å; L205-Q208 PolarHBondContact O-N 3.43Å; L205-Q209 WeakPolarHBondContact O-CB 3.45Å; L205-Q209 WeakPolarHBondContact O-CG 3.08Å; L205-Q209 PolarHBondContact O-N 3.29Å |
| 206 | K | 88.8 | Confident | 89.7 | Confident | 126 Ų | 126 | 117.8 Ų | 117.8 | 55% | 0.548 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 174.9 | -75.1 | 178.7 | -177.6 | -168.9 | 0 | 112.2 | H202 R203 I204 R210 | H202-K206 WeakPolarHBondContact O-CB 3.32Å; H202-K206 VanDerWaalsContact O-CG 3.23Å; H202-K206 WeakPolarHBondContact O-CG 3.03Å; H202-K206 PolarHBondContact O-N 3.41Å; R203-K206 PolarHBondContact O-N 2.91Å; I204-K206 PolarHBondContact O-N 2.97Å; K206-R210 WeakPolarHBondContact O-CG 3.41Å; K206-R210 PolarHBondContact O-N 3.28Å |
| 207 | Q | 91.5 | Very high | 89.6 | Confident | 86 Ų | 86 | 118.2 Ų | 118.2 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 176.3 | -172.6 | 175.1 | 7.7 | 0 | 0 | 111.6 | R203 I204 L205 R210 R211 | R203-Q207 WeakPolarHBondContact O-CB 3.37Å; R203-Q207 PolarHBondContact O-N 2.76Å; I204-Q207 CarbonylContact O-C 3.42Å; I204-Q207 WeakPolarHBondContact O-CA 3.44Å; I204-Q207 WeakPolarHBondContact O-CB 3.35Å; I204-Q207 PolarHBondContact O-N 2.83Å; I204-Q207 VanDerWaalsContact O-N 3.07Å; L205-Q207 VanDerWaalsContact C-N 3.32Å; L205-Q207 PolarHBondContact O-N 2.83Å; Q207-R210 PolarHBondContact O-N 2.62Å; Q207-R211 WeakPolarHBondContact O-CG 3.47Å; Q207-R211 PolarHBondContact O-N 2.96Å |
| 208 | Q | 90.9 | Very high | 89.5 | Confident | 94 Ų | 94 | 115.7 Ų | 115.7 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 174 | -73.2 | 176.6 | -12.5 | 0 | 0 | 111.6 | I204 L205 R210 R211 R212 | I204-Q208 HydrophobicContact CG2-CG 4.3Å; I204-Q208 WeakPolarHBondContact O-CG 3.38Å; I204-Q208 PolarHBondContact O-N 3.49Å; L205-Q208 PolarHBondContact O-N 3.43Å; Q208-R210 PolarHBondContact O-N 3.49Å; Q208-R211 PolarHBondContact O-N 3.31Å; Q208-R212 WeakPolarHBondContact O-CG 3.29Å; Q208-R212 PolarHBondContact O-N 2.89Å |
| 209 | Q | 88 | Confident | 89.5 | Confident | 103 Ų | 103 | 115 Ų | 115 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 173.5 | -75.4 | 173.8 | -23.7 | 0 | 0 | 111.5 | L205 R211 R212 L213 | L205-Q209 WeakPolarHBondContact O-CB 3.45Å; L205-Q209 WeakPolarHBondContact O-CG 3.08Å; L205-Q209 PolarHBondContact O-N 3.29Å; Q209-R211 PolarHBondContact O-N 3.44Å; Q209-R212 PolarHBondContact O-N 3.03Å; Q209-L213 WeakPolarHBondContact O-CG 3.34Å; Q209-L213 PolarHBondContact O-N 2.74Å |
| 210 | R | 83.5 | Confident | 89.4 | Confident | 149 Ų | 149 | 107.5 Ų | 107.5 | 56% | 0.562 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 174.4 | -74.9 | -169.8 | -59.1 | -93.6 | 2 | 112.8 | K206 Q207 Q208 W214 | K206-R210 WeakPolarHBondContact O-CG 3.41Å; K206-R210 PolarHBondContact O-N 3.28Å; Q207-R210 PolarHBondContact O-N 2.62Å; Q208-R210 PolarHBondContact O-N 3.49Å; R210-W214 WeakPolarHBondContact O-CB 3.2Å; R210-W214 PolarHBondContact O-N 3.38Å |
| 211 | R | 90.2 | Very high | 89.2 | Confident | 169 Ų | 169 | 101.4 Ų | 101.4 | 64% | 0.638 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 177.5 | -76.9 | -180 | 177.6 | -175.6 | -1 | 112 | Q207 Q208 Q209 W214 K215 | Q207-R211 WeakPolarHBondContact O-CG 3.47Å; Q207-R211 PolarHBondContact O-N 2.96Å; Q208-R211 PolarHBondContact O-N 3.31Å; Q209-R211 PolarHBondContact O-N 3.44Å; R211-W214 PolarHBondContact O-N 3.3Å; R211-K215 PolarHBondContact O-N 2.88Å |
| 212 | R | 90.6 | Very high | 89 | Confident | 171 Ų | 171 | 106.6 Ų | 106.6 | 65% | 0.645 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.3 | -51.1 | 175.7 | -73.5 | 179.3 | -176 | -178.5 | -2.5 | 111.5 | Q208 Q209 W214 K215 E216 | Q208-R212 WeakPolarHBondContact O-CG 3.29Å; Q208-R212 PolarHBondContact O-N 2.89Å; Q209-R212 PolarHBondContact O-N 3.03Å; R212-W214 VanDerWaalsContact C-N 3.26Å; R212-W214 PolarHBondContact O-N 2.92Å; R212-K215 PolarHBondContact O-N 2.9Å; R212-K215 VanDerWaalsContact O-N 3.13Å; R212-E216 WeakPolarHBondContact O-CG 3.37Å; R212-E216 PolarHBondContact O-N 3.48Å |
| 213 | L | 86.2 | Confident | 88.9 | Confident | 113 Ų | 113 | 111.2 Ų | 111.2 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59 | -37.7 | 176.2 | -69.6 | 171.3 | 0 | 0 | 0 | 112.2 | Q209 F217 | Q209-L213 WeakPolarHBondContact O-CG 3.34Å; Q209-L213 PolarHBondContact O-N 2.74Å; L213-F217 VanDerWaalsContact O-CB 3.3Å; L213-F217 WeakPolarHBondContact O-CB 3.44Å; L213-F217 PolarHBondContact O-N 2.9Å |
| 214 | W | 85.7 | Confident | 88.8 | Confident | 167 Ų | 167 | 106.6 Ų | 106.6 | 63% | 0.633 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 175.3 | -177.3 | -95.6 | 0 | 0 | 0 | 112.5 | R210 R211 R212 F217 Q218 | R210-W214 WeakPolarHBondContact O-CB 3.2Å; R210-W214 PolarHBondContact O-N 3.38Å; R211-W214 PolarHBondContact O-N 3.3Å; R212-W214 VanDerWaalsContact C-N 3.26Å; R212-W214 PolarHBondContact O-N 2.92Å; W214-F217 WeakPolarHBondContact O-CB 3.36Å; W214-F217 PolarHBondContact O-N 3.34Å; W214-Q218 WeakPolarHBondContact O-CB 3.35Å; W214-Q218 PolarHBondContact O-N 3.43Å |
| 215 | K | 90.9 | Very high | 88.8 | Confident | 134 Ų | 134 | 107.6 Ų | 107.6 | 58% | 0.583 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64 | -45 | 176.3 | -172.7 | 176.3 | -180 | 178 | 0 | 111.3 | R211 R212 F217 Q218 D219 | R211-K215 PolarHBondContact O-N 2.88Å; R212-K215 PolarHBondContact O-N 2.9Å; R212-K215 VanDerWaalsContact O-N 3.13Å; K215-F217 VanDerWaalsContact C-N 3.26Å; K215-F217 PolarHBondContact O-N 3.28Å; K215-Q218 PolarHBondContact O-N 3.09Å; K215-D219 WeakPolarHBondContact O-CB 3.21Å; K215-D219 VanDerWaalsContact O-CG 3.31Å; K215-D219 PolarHBondContact O-N 3.01Å |
| 216 | E | 88 | Confident | 88.6 | Confident | 119 Ų | 119 | 115.1 Ų | 115.1 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58 | -40.4 | 173.8 | -72.7 | 167 | -165.1 | 0 | 0 | 111.6 | R212 L220 | R212-E216 WeakPolarHBondContact O-CG 3.37Å; R212-E216 PolarHBondContact O-N 3.48Å; E216-L220 VanDerWaalsContact O-CB 3.3Å; E216-L220 WeakPolarHBondContact O-CB 3.48Å; E216-L220 PolarHBondContact O-N 3.05Å |
| 217 | F | 88.6 | Confident | 88.5 | Confident | 46 Ų | 46 | 112.3 Ų | 112.3 | 20% | 0.202 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 174.6 | -175 | -97.6 | 0 | 0 | 0 | 112.6 | L213 W214 K215 L220 V221 A228 L232 | L213-F217 VanDerWaalsContact O-CB 3.3Å; L213-F217 WeakPolarHBondContact O-CB 3.44Å; L213-F217 PolarHBondContact O-N 2.9Å; W214-F217 WeakPolarHBondContact O-CB 3.36Å; W214-F217 PolarHBondContact O-N 3.34Å; K215-F217 VanDerWaalsContact C-N 3.26Å; K215-F217 PolarHBondContact O-N 3.28Å; F217-L220 WeakPolarHBondContact O-CB 3.47Å; F217-L220 PolarHBondContact O-N 2.77Å; F217-V221 HydrophobicContact CD1-CG2 4.11Å; F217-V221 HydrophobicContact CE1-CG2 3.72Å; F217-V221 HydrophobicContact CZ-CG2 4.05Å; F217-V221 WeakPolarHBondContact O-CG2 3.31Å; F217-V221 PolarHBondContact O-N 3.41Å; F217-A228 HydrophobicContact CE2-CB 4.45Å; F217-L232 HydrophobicContact CE2-CB 4.07Å; F217-L232 HydrophobicContact CE2-CD1 4.43Å; F217-L232 HydrophobicContact CZ-CB 4.13Å; F217-L232 HydrophobicContact CZ-CD1 3.75Å; F217-L232 HydrophobicContact CZ-CG 4.45Å |
| 218 | Q | 88.1 | Confident | 88.4 | Confident | 111 Ų | 111 | 108.4 Ų | 108.4 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 177.4 | -176 | 177.1 | -13.1 | 0 | 0 | 111.8 | W214 K215 L220 V221 Q222 | W214-Q218 WeakPolarHBondContact O-CB 3.35Å; W214-Q218 PolarHBondContact O-N 3.43Å; K215-Q218 PolarHBondContact O-N 3.09Å; Q218-L220 PolarHBondContact O-N 2.81Å; Q218-V221 WeakPolarHBondContact O-CB 3.19Å; Q218-V221 PolarHBondContact O-N 3.09Å; Q218-Q222 PolarHBondContact O-N 3.44Å |
| 219 | D | 89.6 | Confident | 88.2 | Confident | 47 Ų | 47 | 107.7 Ų | 107.7 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 174.5 | -70.3 | -5 | 0 | 0 | 0 | 110.8 | K215 Q222 R223 | K215-D219 WeakPolarHBondContact O-CB 3.21Å; K215-D219 VanDerWaalsContact O-CG 3.31Å; K215-D219 PolarHBondContact O-N 3.01Å; D219-Q222 PolarHBondContact O-N 3.15Å; D219-R223 VanDerWaalsContact CB-NH1 3.33Å; D219-R223 WeakPolarHBondContact O-CB 3.5Å; D219-R223 VanDerWaalsContact O-CG 3.29Å; D219-R223 WeakPolarHBondContact O-CG 3.45Å; D219-R223 PolarHBondContact O-N 3.2Å; D219-R223 IonicContact OD2-NH1 3.87Å; D219-R223 IonicContact OD2-NH2 3.3Å |
| 220 | L | 87.9 | Confident | 88.2 | Confident | 11 Ų | 11 | 108.1 Ų | 108.1 | 6% | 0.058 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -68.2 | -44.1 | 176.1 | -170.4 | 68.5 | 0 | 0 | 0 | 112.6 | E216 F217 Q218 Q222 R223 N224 E227 A228 K231 | E216-L220 VanDerWaalsContact O-CB 3.3Å; E216-L220 WeakPolarHBondContact O-CB 3.48Å; E216-L220 PolarHBondContact O-N 3.05Å; F217-L220 WeakPolarHBondContact O-CB 3.47Å; F217-L220 PolarHBondContact O-N 2.77Å; Q218-L220 PolarHBondContact O-N 2.81Å; L220-Q222 PolarHBondContact O-N 3.36Å; L220-R223 PolarHBondContact O-N 2.94Å; L220-N224 CarbonylContact O-C 3.49Å; L220-N224 VanDerWaalsContact O-C 3.27Å; L220-N224 PolarHBondContact O-N 3.4Å; L220-E227 HydrophobicContact CD1-CB 4.08Å; L220-E227 VanDerWaalsContact CD1-CD 3.41Å; L220-E227 HydrophobicContact CD1-CG 3.94Å; L220-E227 WeakPolarHBondContact CD1-OE1 3.45Å; L220-E227 WeakPolarHBondContact CD1-OE2 3.49Å; L220-E227 HydrophobicContact CD2-CG 4.39Å; L220-E227 HydrophobicContact CG-CB 4.34Å; L220-E227 HydrophobicContact CG-CG 4.46Å; L220-A228 HydrophobicContact CB-CB 4.47Å; L220-A228 HydrophobicContact CD2-CB 4.22Å; L220-A228 HydrophobicContact CG-CB 4.09Å; L220-K231 HydrophobicContact CD2-CB 4.07Å; L220-K231 HydrophobicContact CD2-CD 3.27Å; L220-K231 VanDerWaalsContact CD2-CE 3.43Å; L220-K231 HydrophobicContact CD2-CG 3.83Å |
| 221 | V | 88.9 | Confident | 88.2 | Confident | 68 Ų | 68 | 105 Ų | 105 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55.9 | -40.2 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | F217 Q218 A228 | F217-V221 HydrophobicContact CD1-CG2 4.11Å; F217-V221 HydrophobicContact CE1-CG2 3.72Å; F217-V221 HydrophobicContact CZ-CG2 4.05Å; F217-V221 WeakPolarHBondContact O-CG2 3.31Å; F217-V221 PolarHBondContact O-N 3.41Å; Q218-V221 WeakPolarHBondContact O-CB 3.19Å; Q218-V221 PolarHBondContact O-N 3.09Å; V221-A228 HydrophobicContact CB-CB 4.07Å; V221-A228 HydrophobicContact CG2-CB 3.44Å; V221-A228 VanDerWaalsContact CG2-CB 3.44Å |
| 222 | Q | 88.5 | Confident | 87.9 | Confident | 160 Ų | 160 | 101.5 Ų | 101.5 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -74.5 | -41.9 | -179.7 | -169.3 | 172.8 | 9.9 | 0 | 0 | 113.3 | Q218 D219 L220 | Q218-Q222 PolarHBondContact O-N 3.44Å; D219-Q222 PolarHBondContact O-N 3.15Å; L220-Q222 PolarHBondContact O-N 3.36Å |
| 223 | R | 87.3 | Confident | 87.7 | Confident | 169 Ų | 169 | 98.2 Ų | 98.2 | 64% | 0.638 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.8 | -55 | 177.6 | -73.5 | 178.7 | -172.9 | 113.2 | 8.9 | 110.9 | D219 L220 | D219-R223 VanDerWaalsContact CB-NH1 3.33Å; D219-R223 WeakPolarHBondContact O-CB 3.5Å; D219-R223 VanDerWaalsContact O-CG 3.29Å; D219-R223 WeakPolarHBondContact O-CG 3.45Å; D219-R223 PolarHBondContact O-N 3.2Å; D219-R223 IonicContact OD2-NH1 3.87Å; D219-R223 IonicContact OD2-NH2 3.3Å; L220-R223 PolarHBondContact O-N 2.94Å |
| 224 | N | 88.6 | Confident | 87.7 | Confident | 83 Ų | 83 | 96.8 Ų | 96.8 | 44% | 0.444 | 45% | 0.453 | S | S | . | . | trans | -143.2 | 95.3 | -171.3 | -69.9 | -30.3 | 0 | 0 | 0 | 109.8 | L220 R226 E227 A228 | L220-N224 CarbonylContact O-C 3.49Å; L220-N224 VanDerWaalsContact O-C 3.27Å; L220-N224 PolarHBondContact O-N 3.4Å; N224-R226 PolarHBondContact O-N 2.92Å; N224-R226 VanDerWaalsContact O-N 3.13Å; N224-E227 HydrophobicContact CB-CB 3.69Å; N224-E227 PolarHBondContact ND2-OE2 2.96Å; N224-E227 VanDerWaalsContact ND2-OE2 3.08Å; N224-E227 PolarHBondContact O-N 3.25Å; N224-E227 VanDerWaalsContact O-N 3.1Å; N224-A228 PolarHBondContact O-N 2.96Å; N224-A228 VanDerWaalsContact O-N 3.08Å | ||
| 225 | P | 90.8 | Very high | 87.5 | Confident | 87 Ų | 87 | 94 Ų | 94 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.9 | -29.6 | -179.3 | 22.2 | -33.2 | 0 | 0 | 0 | 112.8 | A228 T229 | P225-A228 PolarHBondContact O-N 3.32Å; P225-T229 PolarHBondContact O-N 3.48Å; P225-T229 VanDerWaalsContact O-N 3.08Å; P225-T229 PolarHBondContact O-OG1 2.87Å |
| 226 | R | 88.4 | Confident | 87.1 | Confident | 204 Ų | 204 | 91.2 Ų | 91.2 | 77% | 0.77 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -67.3 | -45.4 | 175.4 | -66.1 | -176 | 179.9 | 177.4 | -0.2 | 112.7 | N224 A228 T229 E230 | N224-R226 PolarHBondContact O-N 2.92Å; N224-R226 VanDerWaalsContact O-N 3.13Å; R226-A228 PolarHBondContact O-N 3.36Å; R226-T229 WeakPolarHBondContact CA-OG1 3.43Å; R226-T229 PolarHBondContact O-N 2.81Å; R226-T229 PolarHBondContact O-OG1 2.95Å; R226-E230 WeakPolarHBondContact O-CG 3.42Å; R226-E230 PolarHBondContact O-N 3.45Å |
| 227 | E | 87.2 | Confident | 86.7 | Confident | 67 Ų | 67 | 88.1 Ų | 88.1 | 31% | 0.313 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 178.7 | -162.1 | -172.5 | 150.7 | 0 | 0 | 110.5 | L220 N224 E230 K231 | L220-E227 HydrophobicContact CD1-CB 4.08Å; L220-E227 VanDerWaalsContact CD1-CD 3.41Å; L220-E227 HydrophobicContact CD1-CG 3.94Å; L220-E227 WeakPolarHBondContact CD1-OE1 3.45Å; L220-E227 WeakPolarHBondContact CD1-OE2 3.49Å; L220-E227 HydrophobicContact CD2-CG 4.39Å; L220-E227 HydrophobicContact CG-CB 4.34Å; L220-E227 HydrophobicContact CG-CG 4.46Å; N224-E227 HydrophobicContact CB-CB 3.69Å; N224-E227 PolarHBondContact ND2-OE2 2.96Å; N224-E227 VanDerWaalsContact ND2-OE2 3.08Å; N224-E227 PolarHBondContact O-N 3.25Å; N224-E227 VanDerWaalsContact O-N 3.1Å; E227-E230 PolarHBondContact O-N 3.34Å; E227-K231 WeakPolarHBondContact O-CB 3.47Å; E227-K231 WeakPolarHBondContact O-CG 3.41Å; E227-K231 PolarHBondContact O-N 3.42Å; E227-K231 WeakPolarHBondContact OE1-CE 3.43Å; E227-K231 IonicContact OE1-NZ 3.48Å; E227-K231 PolarHBondContact OE1-NZ 3.24Å |
| 228 | A | 87.8 | Confident | 86.2 | Confident | 4 Ų | 4 | 90.7 Ų | 90.7 | 3% | 0.033 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F217 L220 V221 N224 P225 R226 E230 K231 L232 | F217-A228 HydrophobicContact CE2-CB 4.45Å; L220-A228 HydrophobicContact CB-CB 4.47Å; L220-A228 HydrophobicContact CD2-CB 4.22Å; L220-A228 HydrophobicContact CG-CB 4.09Å; V221-A228 HydrophobicContact CB-CB 4.07Å; V221-A228 HydrophobicContact CG2-CB 3.44Å; V221-A228 VanDerWaalsContact CG2-CB 3.44Å; N224-A228 PolarHBondContact O-N 2.96Å; N224-A228 VanDerWaalsContact O-N 3.08Å; P225-A228 PolarHBondContact O-N 3.32Å; R226-A228 PolarHBondContact O-N 3.36Å; A228-E230 VanDerWaalsContact C-N 3.35Å; A228-K231 PolarHBondContact O-N 3.35Å; A228-L232 WeakPolarHBondContact O-CB 3.38Å; A228-L232 PolarHBondContact O-N 2.82Å |
| 229 | T | 86.9 | Confident | 85.8 | Confident | 79 Ų | 79 | 91.4 Ų | 91.4 | 49% | 0.485 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 173 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | P225 R226 L232 E233 | P225-T229 PolarHBondContact O-N 3.48Å; P225-T229 VanDerWaalsContact O-N 3.08Å; P225-T229 PolarHBondContact O-OG1 2.87Å; R226-T229 WeakPolarHBondContact CA-OG1 3.43Å; R226-T229 PolarHBondContact O-N 2.81Å; R226-T229 PolarHBondContact O-OG1 2.95Å; T229-L232 PolarHBondContact O-N 2.88Å; T229-E233 WeakPolarHBondContact O-CG 3.47Å; T229-E233 PolarHBondContact O-N 2.66Å |
| 230 | E | 87.7 | Confident | 85.3 | Confident | 113 Ų | 113 | 92.1 Ų | 92.1 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.7 | -73.2 | 170.5 | -172.8 | 0 | 0 | 111.8 | R226 E227 A228 L232 E233 L234 | R226-E230 WeakPolarHBondContact O-CG 3.42Å; R226-E230 PolarHBondContact O-N 3.45Å; E227-E230 PolarHBondContact O-N 3.34Å; A228-E230 VanDerWaalsContact C-N 3.35Å; E230-L232 PolarHBondContact O-N 2.77Å; E230-E233 WeakPolarHBondContact O-CB 3.41Å; E230-E233 PolarHBondContact O-N 2.99Å; E230-L234 WeakPolarHBondContact O-CB 3.29Å; E230-L234 VanDerWaalsContact O-CG 3.32Å; E230-L234 WeakPolarHBondContact O-CG 3.23Å; E230-L234 PolarHBondContact O-N 2.93Å |
| 231 | K | 83.9 | Confident | 84.7 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 36% | 0.357 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 175.2 | -72.1 | -163.6 | -156 | 151.2 | 0 | 112.5 | L220 E227 A228 L234 L235 | L220-K231 HydrophobicContact CD2-CB 4.07Å; L220-K231 HydrophobicContact CD2-CD 3.27Å; L220-K231 VanDerWaalsContact CD2-CE 3.43Å; L220-K231 HydrophobicContact CD2-CG 3.83Å; E227-K231 WeakPolarHBondContact O-CB 3.47Å; E227-K231 WeakPolarHBondContact O-CG 3.41Å; E227-K231 PolarHBondContact O-N 3.42Å; E227-K231 WeakPolarHBondContact OE1-CE 3.43Å; E227-K231 IonicContact OE1-NZ 3.48Å; E227-K231 PolarHBondContact OE1-NZ 3.24Å; A228-K231 PolarHBondContact O-N 3.35Å; K231-L234 PolarHBondContact O-N 3.11Å; K231-L235 WeakPolarHBondContact O-CB 3.3Å; K231-L235 VanDerWaalsContact O-CG 3.27Å; K231-L235 WeakPolarHBondContact O-CG 3.45Å; K231-L235 PolarHBondContact O-N 3.06Å |
| 232 | L | 85.2 | Confident | 83.9 | Confident | 96 Ų | 96 | 94.9 Ų | 94.9 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 174.7 | -167.7 | 150.7 | 0 | 0 | 0 | 110.9 | F217 A228 T229 E230 L235 E236 | F217-L232 HydrophobicContact CE2-CB 4.07Å; F217-L232 HydrophobicContact CE2-CD1 4.43Å; F217-L232 HydrophobicContact CZ-CB 4.13Å; F217-L232 HydrophobicContact CZ-CD1 3.75Å; F217-L232 HydrophobicContact CZ-CG 4.45Å; A228-L232 WeakPolarHBondContact O-CB 3.38Å; A228-L232 PolarHBondContact O-N 2.82Å; T229-L232 PolarHBondContact O-N 2.88Å; E230-L232 PolarHBondContact O-N 2.77Å; L232-L235 PolarHBondContact O-N 2.59Å; L232-E236 WeakPolarHBondContact O-CB 3.39Å; L232-E236 PolarHBondContact O-N 3.42Å |
| 233 | E | 86.3 | Confident | 83.4 | Confident | 102 Ų | 102 | 95.4 Ų | 95.4 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 172.8 | -75.1 | -178.7 | -167.7 | 0 | 0 | 111.7 | T229 E230 E236 K237 | T229-E233 WeakPolarHBondContact O-CG 3.47Å; T229-E233 PolarHBondContact O-N 2.66Å; E230-E233 WeakPolarHBondContact O-CB 3.41Å; E230-E233 PolarHBondContact O-N 2.99Å; E233-E236 PolarHBondContact O-N 3.46Å; E233-K237 WeakPolarHBondContact O-CB 3.36Å; E233-K237 WeakPolarHBondContact O-CG 3.5Å; E233-K237 PolarHBondContact O-N 3.29Å; E233-K237 IonicContact OE2-NZ 3.54Å |
| 234 | L | 86.1 | Confident | 82.7 | Confident | 83 Ų | 83 | 88.9 Ų | 88.9 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.4 | -74.5 | 168.5 | 0 | 0 | 0 | 111.8 | E230 K231 E236 K237 D238 | E230-L234 WeakPolarHBondContact O-CB 3.29Å; E230-L234 VanDerWaalsContact O-CG 3.32Å; E230-L234 WeakPolarHBondContact O-CG 3.23Å; E230-L234 PolarHBondContact O-N 2.93Å; K231-L234 PolarHBondContact O-N 3.11Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 PolarHBondContact O-N 3.29Å; L234-K237 WeakPolarHBondContact O-CB 3.33Å; L234-K237 PolarHBondContact O-N 3.45Å; L234-D238 WeakPolarHBondContact O-CB 3.1Å; L234-D238 PolarHBondContact O-N 3.15Å |
| 235 | L | 81.1 | Confident | 82.1 | Confident | 109 Ų | 109 | 85.7 Ų | 85.7 | 57% | 0.571 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64 | -38.4 | 176.9 | -72 | 174.2 | 0 | 0 | 0 | 112.4 | K231 L232 R239 | K231-L235 WeakPolarHBondContact O-CB 3.3Å; K231-L235 VanDerWaalsContact O-CG 3.27Å; K231-L235 WeakPolarHBondContact O-CG 3.45Å; K231-L235 PolarHBondContact O-N 3.06Å; L232-L235 PolarHBondContact O-N 2.59Å; L235-R239 VanDerWaalsContact O-CB 3.23Å; L235-R239 WeakPolarHBondContact O-CB 3.27Å; L235-R239 PolarHBondContact O-N 2.91Å |
| 236 | E | 82.4 | Confident | 81.4 | Confident | 76 Ų | 76 | 87.1 Ų | 87.1 | 36% | 0.355 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.1 | -37.1 | 175.8 | -169.1 | 59.7 | -149.7 | 0 | 0 | 111 | L232 E233 L234 R239 I240 | L232-E236 WeakPolarHBondContact O-CB 3.39Å; L232-E236 PolarHBondContact O-N 3.42Å; E233-E236 PolarHBondContact O-N 3.46Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 PolarHBondContact O-N 3.29Å; E236-R239 PolarHBondContact O-N 2.98Å; E236-R239 IonicContact OE1-NH1 2.88Å; E236-R239 IonicContact OE2-CZ 2.82Å; E236-R239 IonicContact OE2-NH1 3.71Å; E236-R239 PolarHBondContact OE2-NH1 3.36Å; E236-I240 HydrophobicContact CG-CD1 4.01Å; E236-I240 HydrophobicContact CG-CG1 4.45Å; E236-I240 WeakPolarHBondContact O-CB 3.48Å; E236-I240 WeakPolarHBondContact O-CD1 3.49Å; E236-I240 WeakPolarHBondContact O-CG1 3.33Å; E236-I240 PolarHBondContact O-N 2.72Å |
| 237 | K | 80.3 | Confident | 80.5 | Confident | 54 Ų | 54 | 87.6 Ų | 87.6 | 24% | 0.235 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.3 | -50.3 | 171.4 | -72.6 | 169.2 | -175.1 | 167.6 | 0 | 111 | E233 L234 R239 I240 I241 Y288 | E233-K237 WeakPolarHBondContact O-CB 3.36Å; E233-K237 WeakPolarHBondContact O-CG 3.5Å; E233-K237 PolarHBondContact O-N 3.29Å; E233-K237 IonicContact OE2-NZ 3.54Å; L234-K237 WeakPolarHBondContact O-CB 3.33Å; L234-K237 PolarHBondContact O-N 3.45Å; K237-R239 VanDerWaalsContact C-N 3.32Å; K237-R239 PolarHBondContact O-N 2.85Å; K237-I240 PolarHBondContact O-N 3.41Å; K237-I240 VanDerWaalsContact O-N 3.16Å; K237-I241 WeakPolarHBondContact O-CB 3.24Å; K237-I241 VanDerWaalsContact O-CG1 3.24Å; K237-I241 WeakPolarHBondContact O-CG1 3.49Å; K237-I241 PolarHBondContact O-N 3.36Å; K237-Y288 HydrophobicContact CB-CE2 4.34Å; K237-Y288 HydrophobicContact CD-CD1 4.33Å; K237-Y288 HydrophobicContact CD-CE1 3.5Å; K237-Y288 HydrophobicContact CD-CE2 4.47Å; K237-Y288 VanDerWaalsContact CE-OH 3.3Å; K237-Y288 WeakPolarHBondContact CE-OH 3.22Å; K237-Y288 HydrophobicContact CG-CE1 3.92Å; K237-Y288 HydrophobicContact CG-CE2 3.97Å; K237-Y288 VanDerWaalsContact CG-CZ 3.47Å; K237-Y288 WeakPolarHBondContact CG-OH 3.37Å |
| 238 | D | 76.4 | Confident | 79.8 | Confident | 99 Ų | 99 | 86.9 Ų | 86.9 | 53% | 0.529 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.5 | -76.5 | -17 | 0 | 0 | 0 | 111.6 | L234 I241 E242 | L234-D238 WeakPolarHBondContact O-CB 3.1Å; L234-D238 PolarHBondContact O-N 3.15Å; D238-I241 PolarHBondContact O-N 3.1Å; D238-E242 WeakPolarHBondContact O-CB 3.25Å; D238-E242 PolarHBondContact O-N 3.27Å |
| 239 | R | 79.5 | Confident | 79 | Confident | 126 Ų | 126 | 94.6 Ų | 94.6 | 48% | 0.475 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 175.9 | -177.9 | -175.9 | 168.3 | -152 | -4 | 112 | L235 E236 K237 E242 R243 | L235-R239 VanDerWaalsContact O-CB 3.23Å; L235-R239 WeakPolarHBondContact O-CB 3.27Å; L235-R239 PolarHBondContact O-N 2.91Å; E236-R239 PolarHBondContact O-N 2.98Å; E236-R239 IonicContact OE1-NH1 2.88Å; E236-R239 IonicContact OE2-CZ 2.82Å; E236-R239 IonicContact OE2-NH1 3.71Å; E236-R239 PolarHBondContact OE2-NH1 3.36Å; K237-R239 VanDerWaalsContact C-N 3.32Å; K237-R239 PolarHBondContact O-N 2.85Å; R239-E242 PolarHBondContact O-N 2.89Å; R239-R243 VanDerWaalsContact O-CB 3.31Å; R239-R243 WeakPolarHBondContact O-CB 3.44Å; R239-R243 VanDerWaalsContact O-CG 3.22Å; R239-R243 WeakPolarHBondContact O-CG 3.47Å; R239-R243 PolarHBondContact O-N 3.31Å |
| 240 | I | 80.6 | Confident | 78.4 | Confident | 63 Ų | 63 | 91.6 Ų | 91.6 | 32% | 0.323 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.3 | -71 | 162.8 | 0 | 0 | 0 | 109.7 | E236 K237 R243 S244 L286 | E236-I240 HydrophobicContact CG-CD1 4.01Å; E236-I240 HydrophobicContact CG-CG1 4.45Å; E236-I240 WeakPolarHBondContact O-CB 3.48Å; E236-I240 WeakPolarHBondContact O-CD1 3.49Å; E236-I240 WeakPolarHBondContact O-CG1 3.33Å; E236-I240 PolarHBondContact O-N 2.72Å; K237-I240 PolarHBondContact O-N 3.41Å; K237-I240 VanDerWaalsContact O-N 3.16Å; I240-R243 PolarHBondContact O-N 3.23Å; I240-S244 VanDerWaalsContact O-CB 3.28Å; I240-S244 WeakPolarHBondContact O-CB 3.23Å; I240-S244 PolarHBondContact O-N 3.47Å; I240-S244 PolarHBondContact O-OG 3.5Å; I240-S244 VanDerWaalsContact O-OG 3.09Å; I240-L286 HydrophobicContact CG2-CD1 3.93Å; I240-L286 HydrophobicContact CG2-CD2 3.49Å; I240-L286 VanDerWaalsContact CG2-CD2 3.49Å; I240-L286 HydrophobicContact CG2-CG 4.34Å |
| 241 | I | 75.8 | Confident | 77.8 | Confident | 25 Ų | 25 | 90.2 Ų | 90.2 | 13% | 0.128 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 175.8 | -66.5 | 164.2 | 0 | 0 | 0 | 110.4 | K237 D238 R243 S244 T245 I283 Y288 | K237-I241 WeakPolarHBondContact O-CB 3.24Å; K237-I241 VanDerWaalsContact O-CG1 3.24Å; K237-I241 WeakPolarHBondContact O-CG1 3.49Å; K237-I241 PolarHBondContact O-N 3.36Å; D238-I241 PolarHBondContact O-N 3.1Å; I241-R243 PolarHBondContact O-N 3.33Å; I241-S244 PolarHBondContact O-N 2.91Å; I241-S244 PolarHBondContact O-OG 2.85Å; I241-T245 HydrophobicContact CG2-CG2 4.21Å; I241-T245 VanDerWaalsContact O-CB 3.27Å; I241-T245 WeakPolarHBondContact O-CB 3.5Å; I241-T245 VanDerWaalsContact O-CG2 3.24Å; I241-T245 WeakPolarHBondContact O-CG2 3.45Å; I241-T245 PolarHBondContact O-N 3.35Å; I241-T245 PolarHBondContact O-OG1 2.8Å; I241-I283 HydrophobicContact CG2-CG1 4.37Å; I241-Y288 HydrophobicContact CD1-CD2 4.14Å; I241-Y288 HydrophobicContact CD1-CG 4.5Å; I241-Y288 HydrophobicContact CG1-CD2 4.42Å |
| 242 | E | 70.8 | Confident | 77.4 | Confident | 111 Ų | 111 | 88.3 Ų | 88.3 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 178.2 | -170.4 | -179.6 | -159.9 | 0 | 0 | 110.8 | D238 R239 L246 | D238-E242 WeakPolarHBondContact O-CB 3.25Å; D238-E242 PolarHBondContact O-N 3.27Å; R239-E242 PolarHBondContact O-N 2.89Å; E242-L246 WeakPolarHBondContact O-CA 3.42Å; E242-L246 VanDerWaalsContact O-CB 3.23Å; E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 2.89Å |
| 243 | R | 79.1 | Confident | 77.2 | Confident | 172 Ų | 172 | 94.8 Ų | 94.8 | 65% | 0.649 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.3 | -40.9 | 178.6 | -73.7 | -176.5 | 93.9 | 89.5 | -2.2 | 113 | R239 I240 I241 | R239-R243 VanDerWaalsContact O-CB 3.31Å; R239-R243 WeakPolarHBondContact O-CB 3.44Å; R239-R243 VanDerWaalsContact O-CG 3.22Å; R239-R243 WeakPolarHBondContact O-CG 3.47Å; R239-R243 PolarHBondContact O-N 3.31Å; I240-R243 PolarHBondContact O-N 3.23Å; I241-R243 PolarHBondContact O-N 3.33Å |
| 244 | S | 72.8 | Confident | 76.9 | Confident | 31 Ų | 31 | 96 Ų | 96 | 22% | 0.217 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -70.3 | -41.4 | 179.2 | 68.8 | 0 | 0 | 0 | 0 | 111.3 | I240 I241 L286 | I240-S244 VanDerWaalsContact O-CB 3.28Å; I240-S244 WeakPolarHBondContact O-CB 3.23Å; I240-S244 PolarHBondContact O-N 3.47Å; I240-S244 PolarHBondContact O-OG 3.5Å; I240-S244 VanDerWaalsContact O-OG 3.09Å; I241-S244 PolarHBondContact O-N 2.91Å; I241-S244 PolarHBondContact O-OG 2.85Å; S244-L286 WeakPolarHBondContact OG-CD1 3.42Å |
| 245 | T | 75.2 | Confident | 76.7 | Confident | 16 Ų | 16 | 92.1 Ų | 92.1 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -84.4 | -9.1 | -179.9 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | I241 R247 H248 R249 I283 | I241-T245 HydrophobicContact CG2-CG2 4.21Å; I241-T245 VanDerWaalsContact O-CB 3.27Å; I241-T245 WeakPolarHBondContact O-CB 3.5Å; I241-T245 VanDerWaalsContact O-CG2 3.24Å; I241-T245 WeakPolarHBondContact O-CG2 3.45Å; I241-T245 PolarHBondContact O-N 3.35Å; I241-T245 PolarHBondContact O-OG1 2.8Å; T245-R247 PolarHBondContact O-N 3.43Å; T245-H248 CarbonylContact O-C 3.6Å; T245-H248 WeakPolarHBondContact O-CA 3.33Å; T245-H248 PolarHBondContact O-N 3.4Å; T245-R249 PolarHBondContact O-N 3.22Å; T245-I283 HydrophobicContact CG2-CD1 3.96Å; T245-I283 HydrophobicContact CG2-CG1 3.58Å |
| 246 | L | 75.5 | Confident | 76.7 | Confident | 117 Ų | 117 | 93.6 Ų | 93.6 | 61% | 0.613 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -37.5 | -175.7 | -167.8 | 61.7 | 0 | 0 | 0 | 112.6 | E242 | E242-L246 WeakPolarHBondContact O-CA 3.42Å; E242-L246 VanDerWaalsContact O-CB 3.23Å; E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 2.89Å |
| 247 | R | 69.4 | Low | 76.8 | Confident | 214 Ų | 214 | 96 Ų | 96 | 81% | 0.808 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -19.4 | 177.6 | -68.8 | -170.2 | 172 | -138.1 | 0.5 | 113.8 | T245 Q275 | T245-R247 PolarHBondContact O-N 3.43Å; R247-Q275 PolarHBondContact O-NE2 3.36Å |
| 248 | H | 73.8 | Confident | 77.1 | Confident | 52 Ų | 52 | 95.3 Ų | 95.3 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 4.4 | -170.7 | -55.7 | -77 | 0 | 0 | 0 | 114.5 | T245 G250 Q275 S279 L282 | T245-H248 CarbonylContact O-C 3.6Å; T245-H248 WeakPolarHBondContact O-CA 3.33Å; T245-H248 PolarHBondContact O-N 3.4Å; H248-G250 PolarHBondContact O-N 3.33Å; H248-G250 VanDerWaalsContact O-N 3.09Å; H248-Q275 HydrophobicContact CB-CG 4.19Å; H248-S279 WeakPolarHBondContact O-CB 3.38Å; H248-L282 WeakPolarHBondContact CD2-CD1 3.49Å |
| 249 | R | 69.6 | Low | 77.4 | Confident | 166 Ų | 166 | 95.9 Ų | 95.9 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -68.4 | -2.9 | -179.1 | -156.6 | -175.5 | 171.5 | -173.5 | 0.8 | 115.2 | T245 T251 | T245-R249 PolarHBondContact O-N 3.22Å; R249-T251 HydrophobicContact CG-CG2 4.49Å; R249-T251 PolarHBondContact O-N 3.49Å |
| 250 | G | 74.4 | Confident | 77.5 | Confident | 17 Ų | 17 | 96.8 Ų | 96.8 | 18% | 0.175 | 44% | 0.444 | C | S | . | . | S | Bend | trans | 67.7 | 3.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | H248 S255 | H248-G250 PolarHBondContact O-N 3.33Å; H248-G250 VanDerWaalsContact O-N 3.09Å; G250-S255 VanDerWaalsContact C-CB 3.5Å; G250-S255 VanDerWaalsContact CA-OG 3.27Å; G250-S255 WeakPolarHBondContact CA-OG 3.33Å; G250-S255 WeakPolarHBondContact O-CB 3.44Å; G250-S255 PolarHBondContact O-OG 3.4Å |
| 251 | T | 75 | Confident | 77.7 | Confident | 83 Ų | 83 | 98.8 Ų | 98.8 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | trans | -92.8 | -10.5 | -178.5 | 49.8 | 0 | 0 | 0 | 0 | 114.1 | R249 K256 | R249-T251 HydrophobicContact CG-CG2 4.49Å; R249-T251 PolarHBondContact O-N 3.49Å; T251-K256 WeakPolarHBondContact O-CE 3.34Å | ||
| 252 | G | 76.8 | Confident | 78.2 | Confident | 42 Ų | 42 | 98.7 Ų | 98.7 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -66 | 161.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W254 S255 K256 | G252-W254 PolarHBondContact O-N 3.04Å; G252-S255 PolarHBondContact O-N 2.89Å; G252-S255 VanDerWaalsContact O-N 3.12Å; G252-K256 PolarHBondContact O-N 2.88Å |
| 253 | R | 80.2 | Confident | 78.6 | Confident | 232 Ų | 232 | 102.9 Ų | 102.9 | 88% | 0.875 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -56 | -36.4 | 179.6 | -65.5 | -174.8 | 81.5 | -157.1 | 6.6 | 112.8 | K257 | R253-K257 WeakPolarHBondContact O-CB 3.45Å; R253-K257 PolarHBondContact O-N 3.08Å |
| 254 | W | 80 | Confident | 78.7 | Confident | 127 Ų | 127 | 104.1 Ų | 104.1 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -50.7 | 176.1 | -178.9 | 83.5 | 0 | 0 | 0 | 111.4 | G252 K257 M258 A271 Q275 | G252-W254 PolarHBondContact O-N 3.04Å; W254-K257 PolarHBondContact O-N 3.25Å; W254-M258 HydrophobicContact CD2-CG 3.83Å; W254-M258 HydrophobicContact CE3-CG 4.22Å; W254-M258 HydrophobicContact CG-CG 4.32Å; W254-M258 HydrophobicContact CH2-CG 4.19Å; W254-M258 HydrophobicContact CZ2-CG 3.78Å; W254-M258 HydrophobicContact CZ2-SD 4.39Å; W254-M258 HydrophobicContact CZ3-CG 4.37Å; W254-M258 WeakPolarHBondContact O-CB 3.48Å; W254-M258 VanDerWaalsContact O-CG 3.3Å; W254-M258 WeakPolarHBondContact O-CG 3.36Å; W254-M258 PolarHBondContact O-N 2.8Å; W254-A271 HydrophobicContact CH2-CB 4.11Å; W254-Q275 HydrophobicContact CZ3-CB 4.46Å |
| 255 | S | 82.5 | Confident | 79.3 | Confident | 2 Ų | 2 | 106.7 Ų | 106.7 | 1% | 0.014 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | -178.5 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | G250 G252 K257 M258 M259 | G250-S255 VanDerWaalsContact C-CB 3.5Å; G250-S255 VanDerWaalsContact CA-OG 3.27Å; G250-S255 WeakPolarHBondContact CA-OG 3.33Å; G250-S255 WeakPolarHBondContact O-CB 3.44Å; G250-S255 PolarHBondContact O-OG 3.4Å; G252-S255 PolarHBondContact O-N 2.89Å; G252-S255 VanDerWaalsContact O-N 3.12Å; S255-K257 VanDerWaalsContact C-N 3.32Å; S255-K257 PolarHBondContact O-N 2.91Å; S255-M258 PolarHBondContact O-N 3.14Å; S255-M259 WeakPolarHBondContact O-CB 3.13Å; S255-M259 WeakPolarHBondContact O-CG 3.33Å; S255-M259 PolarHBondContact O-N 2.87Å |
| 256 | K | 81.1 | Confident | 80 | Confident | 140 Ų | 140 | 113.7 Ų | 113.7 | 61% | 0.609 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.6 | -43.5 | 170.9 | -71.8 | -176 | 179.8 | -177.4 | 0 | 112.5 | T251 G252 M260 | T251-K256 WeakPolarHBondContact O-CE 3.34Å; G252-K256 PolarHBondContact O-N 2.88Å; K256-M260 WeakPolarHBondContact O-CG 3.3Å; K256-M260 PolarHBondContact O-N 2.94Å |
| 257 | K | 84.3 | Confident | 80.6 | Confident | 128 Ų | 128 | 114.6 Ų | 114.6 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.3 | -43 | 178.2 | -174.8 | 169.1 | -175.3 | -176.8 | 0 | 111 | R253 W254 S255 M260 Y261 | R253-K257 WeakPolarHBondContact O-CB 3.45Å; R253-K257 PolarHBondContact O-N 3.08Å; W254-K257 PolarHBondContact O-N 3.25Å; S255-K257 VanDerWaalsContact C-N 3.32Å; S255-K257 PolarHBondContact O-N 2.91Å; K257-M260 WeakPolarHBondContact O-CB 3.37Å; K257-M260 PolarHBondContact O-N 3.43Å; K257-Y261 HydrophobicContact CD-CE2 4.39Å; K257-Y261 HydrophobicContact CG-CD2 4.28Å; K257-Y261 HydrophobicContact CG-CE2 3.64Å; K257-Y261 WeakPolarHBondContact O-CD2 3.37Å; K257-Y261 WeakPolarHBondContact O-CE2 3.35Å |
| 258 | M | 85.6 | Confident | 81.5 | Confident | 39 Ų | 39 | 105.4 Ų | 105.4 | 19% | 0.192 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 177.1 | -71 | -60 | 128.8 | 0 | 0 | 112 | W254 S255 M260 Y261 A262 V268 I272 | W254-M258 HydrophobicContact CD2-CG 3.83Å; W254-M258 HydrophobicContact CE3-CG 4.22Å; W254-M258 HydrophobicContact CG-CG 4.32Å; W254-M258 HydrophobicContact CH2-CG 4.19Å; W254-M258 HydrophobicContact CZ2-CG 3.78Å; W254-M258 HydrophobicContact CZ2-SD 4.39Å; W254-M258 HydrophobicContact CZ3-CG 4.37Å; W254-M258 WeakPolarHBondContact O-CB 3.48Å; W254-M258 VanDerWaalsContact O-CG 3.3Å; W254-M258 WeakPolarHBondContact O-CG 3.36Å; W254-M258 PolarHBondContact O-N 2.8Å; S255-M258 PolarHBondContact O-N 3.14Å; M258-M260 PolarHBondContact O-N 3.44Å; M258-Y261 CarbonylContact O-C 3.58Å; M258-Y261 PolarHBondContact O-N 3.25Å; M258-A262 WeakPolarHBondContact O-CB 3.48Å; M258-A262 PolarHBondContact O-N 3.15Å; M258-V268 HydrophobicContact CB-CG1 3.72Å; M258-V268 HydrophobicContact CG-CG1 4.21Å; M258-V268 WeakPolarHBondContact O-CG1 3.43Å; M258-V268 HydrophobicContact SD-CB 4.47Å; M258-V268 HydrophobicContact SD-CG1 3.62Å; M258-V268 HydrophobicContact SD-CG2 4.11Å; M258-I272 HydrophobicContact CB-CD1 3.92Å; M258-I272 HydrophobicContact CB-CG1 3.98Å |
| 259 | M | 83 | Confident | 82.1 | Confident | 111 Ų | 111 | 110.3 Ų | 110.3 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.6 | -36 | 175.6 | -82.8 | -178.2 | 162.8 | 0 | 0 | 112.6 | S255 Y261 A262 I272 | S255-M259 WeakPolarHBondContact O-CB 3.13Å; S255-M259 WeakPolarHBondContact O-CG 3.33Å; S255-M259 PolarHBondContact O-N 2.87Å; M259-Y261 VanDerWaalsContact C-N 3.29Å; M259-Y261 PolarHBondContact O-N 3.11Å; M259-A262 PolarHBondContact O-N 3.29Å; M259-I272 HydrophobicContact CG-CD1 4.09Å |
| 260 | M | 82 | Confident | 83 | Confident | 145 Ų | 145 | 106.9 Ų | 106.9 | 71% | 0.714 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.9 | -32.8 | 175.4 | -64.4 | -71.5 | -86.5 | 0 | 0 | 112.7 | K256 K257 M258 | K256-M260 WeakPolarHBondContact O-CG 3.3Å; K256-M260 PolarHBondContact O-N 2.94Å; K257-M260 WeakPolarHBondContact O-CB 3.37Å; K257-M260 PolarHBondContact O-N 3.43Å; M258-M260 PolarHBondContact O-N 3.44Å |
| 261 | Y | 85 | Confident | 83.7 | Confident | 105 Ų | 105 | 107.5 Ų | 107.5 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -91.8 | -19.4 | 178.7 | -59.3 | -68 | 0 | 0 | 0 | 113.3 | K257 M258 M259 K263 R264 D265 | K257-Y261 HydrophobicContact CD-CE2 4.39Å; K257-Y261 HydrophobicContact CG-CD2 4.28Å; K257-Y261 HydrophobicContact CG-CE2 3.64Å; K257-Y261 WeakPolarHBondContact O-CD2 3.37Å; K257-Y261 WeakPolarHBondContact O-CE2 3.35Å; M258-Y261 CarbonylContact O-C 3.58Å; M258-Y261 PolarHBondContact O-N 3.25Å; M259-Y261 VanDerWaalsContact C-N 3.29Å; M259-Y261 PolarHBondContact O-N 3.11Å; Y261-K263 PolarHBondContact O-N 3.42Å; Y261-R264 PolarHBondContact O-N 3.16Å; Y261-D265 PolarHBondContact O-N 2.98Å |
| 262 | A | 85.1 | Confident | 84.2 | Confident | 22 Ų | 22 | 104.2 Ų | 104.2 | 18% | 0.182 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M258 M259 R264 V268 I272 | M258-A262 WeakPolarHBondContact O-CB 3.48Å; M258-A262 PolarHBondContact O-N 3.15Å; M259-A262 PolarHBondContact O-N 3.29Å; A262-R264 VanDerWaalsContact C-N 3.27Å; A262-R264 PolarHBondContact O-N 3.47Å; A262-V268 HydrophobicContact CB-CG1 4.26Å; A262-I272 HydrophobicContact CB-CD1 3.55Å |
| 263 | K | 79.8 | Confident | 84.7 | Confident | 200 Ų | 200 | 107.4 Ų | 107.4 | 87% | 0.87 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -23.6 | 175.4 | -146.9 | 178.8 | -172.1 | -178.9 | 0 | 112.7 | Y261 | Y261-K263 PolarHBondContact O-N 3.42Š|
| 264 | R | 82.6 | Confident | 85.1 | Confident | 198 Ų | 198 | 101.2 Ų | 101.2 | 75% | 0.747 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -45.7 | -174.4 | -65.9 | 178.2 | 175.8 | 84.9 | -0.3 | 112.4 | Y261 A262 | Y261-R264 PolarHBondContact O-N 3.16Å; A262-R264 VanDerWaalsContact C-N 3.27Å; A262-R264 PolarHBondContact O-N 3.47Å |
| 265 | D | 85 | Confident | 85.3 | Confident | 84 Ų | 84 | 96.5 Ų | 96.5 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | trans | -102.1 | 116.6 | -172.6 | -70.3 | -31.3 | 0 | 0 | 0 | 111.5 | Y261 K267 V268 R269 | Y261-D265 PolarHBondContact O-N 2.98Å; D265-K267 VanDerWaalsContact C-N 3.28Å; D265-K267 PolarHBondContact O-N 3.33Å; D265-V268 HydrophobicContact CB-CB 3.9Å; D265-V268 HydrophobicContact CB-CG2 3.55Å; D265-V268 PolarHBondContact O-N 2.88Å; D265-V268 VanDerWaalsContact O-N 3.11Å; D265-R269 PolarHBondContact O-N 3.4Å; D265-R269 VanDerWaalsContact O-N 3.12Å | ||
| 266 | Y | 89.6 | Confident | 85.4 | Confident | 164 Ų | 164 | 99.9 Ų | 99.9 | 64% | 0.643 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.1 | -40.4 | 177.5 | 85.4 | -90.2 | 0 | 0 | 0 | 111.8 | V268 R269 E270 | Y266-V268 VanDerWaalsContact C-N 3.27Å; Y266-V268 PolarHBondContact O-N 3.31Å; Y266-R269 WeakPolarHBondContact O-CB 3.23Å; Y266-R269 PolarHBondContact O-N 3.03Å; Y266-R269 VanDerWaalsContact O-N 3.17Å; Y266-E270 WeakPolarHBondContact O-CB 3.29Å; Y266-E270 PolarHBondContact O-N 2.92Å |
| 267 | K | 88.8 | Confident | 85.6 | Confident | 135 Ų | 135 | 101.1 Ų | 101.1 | 59% | 0.587 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.5 | -35.1 | 177.3 | -63.3 | -174.3 | 178.3 | 178.8 | 0 | 112.3 | D265 A271 | D265-K267 VanDerWaalsContact C-N 3.28Å; D265-K267 PolarHBondContact O-N 3.33Å; K267-A271 WeakPolarHBondContact O-CB 3.49Å; K267-A271 PolarHBondContact O-N 2.84Å |
| 268 | V | 87.1 | Confident | 85.6 | Confident | 21 Ų | 21 | 100.1 Ų | 100.1 | 13% | 0.127 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -71.8 | -40.3 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | M258 A262 D265 Y266 A271 I272 | M258-V268 HydrophobicContact CB-CG1 3.72Å; M258-V268 HydrophobicContact CG-CG1 4.21Å; M258-V268 WeakPolarHBondContact O-CG1 3.43Å; M258-V268 HydrophobicContact SD-CB 4.47Å; M258-V268 HydrophobicContact SD-CG1 3.62Å; M258-V268 HydrophobicContact SD-CG2 4.11Å; A262-V268 HydrophobicContact CB-CG1 4.26Å; D265-V268 HydrophobicContact CB-CB 3.9Å; D265-V268 HydrophobicContact CB-CG2 3.55Å; D265-V268 PolarHBondContact O-N 2.88Å; D265-V268 VanDerWaalsContact O-N 3.11Å; Y266-V268 VanDerWaalsContact C-N 3.27Å; Y266-V268 PolarHBondContact O-N 3.31Å; V268-A271 PolarHBondContact O-N 2.84Å; V268-I272 HydrophobicContact CG1-CD1 4.21Å; V268-I272 WeakPolarHBondContact O-CG1 3.22Å; V268-I272 PolarHBondContact O-N 3.33Å |
| 269 | R | 87.3 | Confident | 85.2 | Confident | 155 Ų | 155 | 99.1 Ų | 99.1 | 59% | 0.585 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 174.1 | -173.5 | 174.9 | -178.8 | 162 | 0.4 | 111.5 | D265 Y266 I272 Q273 | D265-R269 PolarHBondContact O-N 3.4Å; D265-R269 VanDerWaalsContact O-N 3.12Å; Y266-R269 WeakPolarHBondContact O-CB 3.23Å; Y266-R269 PolarHBondContact O-N 3.03Å; Y266-R269 VanDerWaalsContact O-N 3.17Å; R269-I272 PolarHBondContact O-N 3.18Å; R269-Q273 WeakPolarHBondContact O-CG 3.41Å; R269-Q273 PolarHBondContact O-N 2.95Å |
| 270 | E | 88.7 | Confident | 85 | Confident | 95 Ų | 95 | 100.6 Ų | 100.6 | 44% | 0.444 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 175.1 | -171.1 | 175 | -163.8 | 0 | 0 | 111.1 | Y266 I272 Q273 E274 | Y266-E270 WeakPolarHBondContact O-CB 3.29Å; Y266-E270 PolarHBondContact O-N 2.92Å; E270-I272 VanDerWaalsContact C-N 3.32Å; E270-I272 PolarHBondContact O-N 2.82Å; E270-Q273 CarbonylContact O-C 3.51Å; E270-Q273 WeakPolarHBondContact O-CB 3.18Å; E270-Q273 PolarHBondContact O-N 3.23Å; E270-Q273 VanDerWaalsContact O-N 3.1Å; E270-E274 WeakPolarHBondContact O-CG 3.42Å; E270-E274 PolarHBondContact O-N 3.27Å |
| 271 | A | 87.6 | Confident | 85.1 | Confident | 29 Ų | 29 | 96.7 Ų | 96.7 | 24% | 0.24 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.9 | -35 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | W254 K267 V268 Q275 | W254-A271 HydrophobicContact CH2-CB 4.11Å; K267-A271 WeakPolarHBondContact O-CB 3.49Å; K267-A271 PolarHBondContact O-N 2.84Å; V268-A271 PolarHBondContact O-N 2.84Å; A271-Q275 PolarHBondContact O-N 3.08Å |
| 272 | I | 85.5 | Confident | 84.7 | Confident | 15 Ų | 15 | 94.1 Ų | 94.1 | 8% | 0.077 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.9 | -44 | 173.3 | -68.7 | 166.6 | 0 | 0 | 0 | 110.5 | M258 M259 A262 V268 R269 E270 E274 Q275 I276 | M258-I272 HydrophobicContact CB-CD1 3.92Å; M258-I272 HydrophobicContact CB-CG1 3.98Å; M259-I272 HydrophobicContact CG-CD1 4.09Å; A262-I272 HydrophobicContact CB-CD1 3.55Å; V268-I272 HydrophobicContact CG1-CD1 4.21Å; V268-I272 WeakPolarHBondContact O-CG1 3.22Å; V268-I272 PolarHBondContact O-N 3.33Å; R269-I272 PolarHBondContact O-N 3.18Å; E270-I272 VanDerWaalsContact C-N 3.32Å; E270-I272 PolarHBondContact O-N 2.82Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 PolarHBondContact O-N 3.13Å; I272-Q275 PolarHBondContact O-N 3.04Å; I272-I276 HydrophobicContact CG2-CD1 3.82Å; I272-I276 HydrophobicContact CG2-CG1 4.46Å; I272-I276 VanDerWaalsContact O-CG1 3.32Å; I272-I276 WeakPolarHBondContact O-CG1 3.34Å; I272-I276 PolarHBondContact O-N 2.89Å |
| 273 | Q | 87.8 | Confident | 84.2 | Confident | 109 Ų | 109 | 95.2 Ų | 95.2 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.3 | -75.4 | 175.1 | -24.6 | 0 | 0 | 111.2 | R269 E270 I276 R277 | R269-Q273 WeakPolarHBondContact O-CG 3.41Å; R269-Q273 PolarHBondContact O-N 2.95Å; E270-Q273 CarbonylContact O-C 3.51Å; E270-Q273 WeakPolarHBondContact O-CB 3.18Å; E270-Q273 PolarHBondContact O-N 3.23Å; E270-Q273 VanDerWaalsContact O-N 3.1Å; Q273-I276 PolarHBondContact O-N 3.02Å; Q273-R277 WeakPolarHBondContact O-CB 3.44Å; Q273-R277 PolarHBondContact O-N 2.9Å |
| 274 | E | 88.5 | Confident | 84.2 | Confident | 102 Ų | 102 | 88.2 Ų | 88.2 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 171.9 | -74.8 | -171.5 | 158 | 0 | 0 | 111.5 | E270 I272 I276 R277 F278 | E270-E274 WeakPolarHBondContact O-CG 3.42Å; E270-E274 PolarHBondContact O-N 3.27Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 PolarHBondContact O-N 3.13Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 3.31Å; E274-R277 CarbonylContact O-C 3.56Å; E274-R277 WeakPolarHBondContact O-CB 3.43Å; E274-R277 PolarHBondContact O-N 3.35Å; E274-R277 VanDerWaalsContact O-N 3.16Å; E274-F278 WeakPolarHBondContact O-CB 3.44Å; E274-F278 WeakPolarHBondContact O-CD2 3.39Å; E274-F278 PolarHBondContact O-N 3.38Å |
| 275 | Q | 85 | Confident | 83.9 | Confident | 28 Ų | 28 | 87 Ų | 87 | 13% | 0.131 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.1 | -171.2 | 174.1 | 29.2 | 0 | 0 | 112.1 | R247 H248 W254 A271 I272 F278 S279 | R247-Q275 PolarHBondContact O-NE2 3.36Å; H248-Q275 HydrophobicContact CB-CG 4.19Å; W254-Q275 HydrophobicContact CZ3-CB 4.46Å; A271-Q275 PolarHBondContact O-N 3.08Å; I272-Q275 PolarHBondContact O-N 3.04Å; Q275-F278 PolarHBondContact O-N 3.22Å; Q275-S279 PolarHBondContact O-N 3.48Å |
| 276 | I | 84.4 | Confident | 83 | Confident | 73 Ų | 73 | 85.6 Ų | 85.6 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 174.8 | -66.1 | 166.7 | 0 | 0 | 0 | 110.5 | I272 Q273 E274 S279 K280 | I272-I276 HydrophobicContact CG2-CD1 3.82Å; I272-I276 HydrophobicContact CG2-CG1 4.46Å; I272-I276 VanDerWaalsContact O-CG1 3.32Å; I272-I276 WeakPolarHBondContact O-CG1 3.34Å; I272-I276 PolarHBondContact O-N 2.89Å; Q273-I276 PolarHBondContact O-N 3.02Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 3.31Å; I276-S279 PolarHBondContact O-N 2.89Å; I276-S279 PolarHBondContact O-OG 2.87Å; I276-K280 HydrophobicContact CG2-CD 4.42Å; I276-K280 WeakPolarHBondContact O-CG 3.37Å; I276-K280 PolarHBondContact O-N 3.31Å |
| 277 | R | 86 | Confident | 81.6 | Confident | 165 Ų | 165 | 80.8 Ų | 80.8 | 62% | 0.623 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64 | -46 | 175.8 | -176.4 | -177.7 | 172.1 | 167.7 | 5.8 | 110.7 | Q273 E274 S279 K280 E281 | Q273-R277 WeakPolarHBondContact O-CB 3.44Å; Q273-R277 PolarHBondContact O-N 2.9Å; E274-R277 CarbonylContact O-C 3.56Å; E274-R277 WeakPolarHBondContact O-CB 3.43Å; E274-R277 PolarHBondContact O-N 3.35Å; E274-R277 VanDerWaalsContact O-N 3.16Å; R277-S279 VanDerWaalsContact C-N 3.3Å; R277-S279 PolarHBondContact O-N 3.48Å; R277-K280 PolarHBondContact O-N 2.8Å; R277-E281 HydrophobicContact CG-CG 4.37Å; R277-E281 WeakPolarHBondContact CG-OE1 3.27Å; R277-E281 IonicContact CZ-OE1 3.67Å; R277-E281 IonicContact NE-OE1 2.86Å; R277-E281 PolarHBondContact NE-OE1 3.07Å; R277-E281 IonicContact NH2-OE1 3.66Å; R277-E281 WeakPolarHBondContact O-CB 3.38Å; R277-E281 WeakPolarHBondContact O-CG 3.48Å; R277-E281 PolarHBondContact O-N 3.37Å |
| 278 | F | 82.9 | Confident | 80.1 | Confident | 108 Ų | 108 | 78.5 Ų | 78.5 | 47% | 0.474 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 173.9 | -85.1 | -64.6 | 0 | 0 | 0 | 112.1 | E274 Q275 E281 L282 | E274-F278 WeakPolarHBondContact O-CB 3.44Å; E274-F278 WeakPolarHBondContact O-CD2 3.39Å; E274-F278 PolarHBondContact O-N 3.38Å; Q275-F278 PolarHBondContact O-N 3.22Å; F278-E281 PolarHBondContact O-N 2.8Å; F278-L282 VanDerWaalsContact O-CB 3.3Å; F278-L282 WeakPolarHBondContact O-CB 3.45Å; F278-L282 WeakPolarHBondContact O-CD1 3.47Å; F278-L282 VanDerWaalsContact O-CG 3.26Å; F278-L282 WeakPolarHBondContact O-CG 3.33Å; F278-L282 PolarHBondContact O-N 3.41Å |
| 279 | S | 77.9 | Confident | 78.3 | Confident | 18 Ų | 18 | 80.5 Ų | 80.5 | 13% | 0.126 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 175.7 | 77.1 | 0 | 0 | 0 | 0 | 111.4 | H248 Q275 I276 R277 L282 I283 | H248-S279 WeakPolarHBondContact O-CB 3.38Å; Q275-S279 PolarHBondContact O-N 3.48Å; I276-S279 PolarHBondContact O-N 2.89Å; I276-S279 PolarHBondContact O-OG 2.87Å; R277-S279 VanDerWaalsContact C-N 3.3Å; R277-S279 PolarHBondContact O-N 3.48Å; S279-L282 PolarHBondContact O-N 3.24Å; S279-I283 WeakPolarHBondContact O-CD1 3.49Å; S279-I283 WeakPolarHBondContact O-CG1 3.32Å; S279-I283 PolarHBondContact O-N 3.38Å |
| 280 | K | 78.1 | Confident | 76.5 | Confident | 142 Ų | 142 | 81.8 Ų | 81.8 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.3 | -43.7 | 174.3 | -70.5 | -178.5 | 178.1 | -168.5 | 0 | 112.1 | I276 R277 I283 A284 | I276-K280 HydrophobicContact CG2-CD 4.42Å; I276-K280 WeakPolarHBondContact O-CG 3.37Å; I276-K280 PolarHBondContact O-N 3.31Å; R277-K280 PolarHBondContact O-N 2.8Å; K280-I283 PolarHBondContact O-N 3.22Å; K280-A284 WeakPolarHBondContact O-CB 3.41Å; K280-A284 PolarHBondContact O-N 3.24Å |
| 281 | E | 84.1 | Confident | 74.8 | Confident | 63 Ų | 63 | 85.4 Ų | 85.4 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 177.7 | -76.1 | 179.5 | -168.1 | 0 | 0 | 112.3 | R277 F278 A284 K285 | R277-E281 HydrophobicContact CG-CG 4.37Å; R277-E281 WeakPolarHBondContact CG-OE1 3.27Å; R277-E281 IonicContact CZ-OE1 3.67Å; R277-E281 IonicContact NE-OE1 2.86Å; R277-E281 PolarHBondContact NE-OE1 3.07Å; R277-E281 IonicContact NH2-OE1 3.66Å; R277-E281 WeakPolarHBondContact O-CB 3.38Å; R277-E281 WeakPolarHBondContact O-CG 3.48Å; R277-E281 PolarHBondContact O-N 3.37Å; F278-E281 PolarHBondContact O-N 2.8Å; E281-A284 PolarHBondContact O-N 3.47Å; E281-K285 WeakPolarHBondContact O-CB 3.45Å; E281-K285 VanDerWaalsContact O-CG 3.3Å; E281-K285 WeakPolarHBondContact O-CG 3.09Å; E281-K285 PolarHBondContact O-N 3.26Å |
| 282 | L | 77.8 | Confident | 73.1 | Confident | 51 Ų | 51 | 90.6 Ų | 90.6 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 174.3 | -80.2 | 164.3 | 0 | 0 | 0 | 111.5 | H248 F278 S279 A284 K285 L286 | H248-L282 WeakPolarHBondContact CD2-CD1 3.49Å; F278-L282 VanDerWaalsContact O-CB 3.3Å; F278-L282 WeakPolarHBondContact O-CB 3.45Å; F278-L282 WeakPolarHBondContact O-CD1 3.47Å; F278-L282 VanDerWaalsContact O-CG 3.26Å; F278-L282 WeakPolarHBondContact O-CG 3.33Å; F278-L282 PolarHBondContact O-N 3.41Å; S279-L282 PolarHBondContact O-N 3.24Å; L282-A284 VanDerWaalsContact C-N 3.31Å; L282-K285 PolarHBondContact O-N 2.98Å; L282-L286 WeakPolarHBondContact O-CG 3.23Å; L282-L286 PolarHBondContact O-N 3.07Å; L282-L286 VanDerWaalsContact O-N 3.11Å |
| 283 | I | 73.7 | Confident | 71 | Confident | 44 Ų | 44 | 94.8 Ų | 94.8 | 23% | 0.226 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 173.4 | -67 | 163.5 | 0 | 0 | 0 | 109.8 | I241 T245 S279 K280 L286 | I241-I283 HydrophobicContact CG2-CG1 4.37Å; T245-I283 HydrophobicContact CG2-CD1 3.96Å; T245-I283 HydrophobicContact CG2-CG1 3.58Å; S279-I283 WeakPolarHBondContact O-CD1 3.49Å; S279-I283 WeakPolarHBondContact O-CG1 3.32Å; S279-I283 PolarHBondContact O-N 3.38Å; K280-I283 PolarHBondContact O-N 3.22Å; I283-L286 PolarHBondContact O-N 3.29Å |
| 284 | A | 80 | Confident | 68.7 | Low | 53 Ų | 53 | 98.7 Ų | 98.7 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K280 E281 L282 L286 G287 | K280-A284 WeakPolarHBondContact O-CB 3.41Å; K280-A284 PolarHBondContact O-N 3.24Å; E281-A284 PolarHBondContact O-N 3.47Å; L282-A284 VanDerWaalsContact C-N 3.31Å; A284-L286 VanDerWaalsContact C-N 3.26Å; A284-L286 PolarHBondContact O-N 3.28Å; A284-G287 PolarHBondContact O-N 2.82Å; A284-G287 VanDerWaalsContact O-N 3.09Å |
| 285 | K | 76.1 | Confident | 66.1 | Low | 172 Ų | 172 | 101.4 Ų | 101.4 | 75% | 0.748 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -28.8 | 178.9 | -79 | 179 | -176.8 | 176.3 | 0 | 113.4 | E281 L282 G287 | E281-K285 WeakPolarHBondContact O-CB 3.45Å; E281-K285 VanDerWaalsContact O-CG 3.3Å; E281-K285 WeakPolarHBondContact O-CG 3.09Å; E281-K285 PolarHBondContact O-N 3.26Å; L282-K285 PolarHBondContact O-N 2.98Å; K285-G287 PolarHBondContact O-N 3.18Å |
| 286 | L | 66.8 | Low | 63.8 | Low | 56 Ų | 56 | 104.6 Ų | 104.6 | 29% | 0.293 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -1.7 | 175.8 | -78.8 | 166.5 | 0 | 0 | 0 | 113.4 | I240 S244 L282 I283 A284 Y288 | I240-L286 HydrophobicContact CG2-CD1 3.93Å; I240-L286 HydrophobicContact CG2-CD2 3.49Å; I240-L286 VanDerWaalsContact CG2-CD2 3.49Å; I240-L286 HydrophobicContact CG2-CG 4.34Å; S244-L286 WeakPolarHBondContact OG-CD1 3.42Å; L282-L286 WeakPolarHBondContact O-CG 3.23Å; L282-L286 PolarHBondContact O-N 3.07Å; L282-L286 VanDerWaalsContact O-N 3.11Å; I283-L286 PolarHBondContact O-N 3.29Å; A284-L286 VanDerWaalsContact C-N 3.26Å; A284-L286 PolarHBondContact O-N 3.28Å; L286-Y288 HydrophobicContact CB-CD2 4.14Å; L286-Y288 HydrophobicContact CB-CE2 4.47Å; L286-Y288 VanDerWaalsContact O-CD2 3.23Å; L286-Y288 WeakPolarHBondContact O-CD2 3.33Å; L286-Y288 WeakPolarHBondContact O-CE2 3.13Å |
| 287 | G | 60.7 | Low | 61.6 | Low | 62 Ų | 62 | 112.2 Ų | 112.2 | 64% | 0.639 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.7 | 10.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A284 K285 | A284-G287 PolarHBondContact O-N 2.82Å; A284-G287 VanDerWaalsContact O-N 3.09Å; K285-G287 PolarHBondContact O-N 3.18Å |
| 288 | Y | 57 | Low | 59 | Low | 87 Ų | 87 | 112.7 Ų | 112.7 | 34% | 0.341 | 57% | 0.568 | S | S | . | * | trans | -111.5 | 40.6 | -176.6 | -56.9 | -66 | 0 | 0 | 0 | 112.9 | K237 I241 L286 H290 | K237-Y288 HydrophobicContact CB-CE2 4.34Å; K237-Y288 HydrophobicContact CD-CD1 4.33Å; K237-Y288 HydrophobicContact CD-CE1 3.5Å; K237-Y288 HydrophobicContact CD-CE2 4.47Å; K237-Y288 VanDerWaalsContact CE-OH 3.3Å; K237-Y288 WeakPolarHBondContact CE-OH 3.22Å; K237-Y288 HydrophobicContact CG-CE1 3.92Å; K237-Y288 HydrophobicContact CG-CE2 3.97Å; K237-Y288 VanDerWaalsContact CG-CZ 3.47Å; K237-Y288 WeakPolarHBondContact CG-OH 3.37Å; I241-Y288 HydrophobicContact CD1-CD2 4.14Å; I241-Y288 HydrophobicContact CD1-CG 4.5Å; I241-Y288 HydrophobicContact CG1-CD2 4.42Å; L286-Y288 HydrophobicContact CB-CD2 4.14Å; L286-Y288 HydrophobicContact CB-CE2 4.47Å; L286-Y288 VanDerWaalsContact O-CD2 3.23Å; L286-Y288 WeakPolarHBondContact O-CD2 3.33Å; L286-Y288 WeakPolarHBondContact O-CE2 3.13Å; Y288-H290 PolarHBondContact O-N 3.43Å | ||
| 289 | A | 49 | Very low | 56.8 | Low | 63 Ų | 63 | 114.5 Ų | 114.5 | 52% | 0.521 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -4.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 290 | H | 49.8 | Very low | 54.7 | Low | 183 Ų | 183 | 116.5 Ų | 116.5 | 85% | 0.847 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -8.6 | -165.4 | -158.3 | 44.8 | 0 | 0 | 0 | 116.5 | Y288 | Y288-H290 PolarHBondContact O-N 3.43Š|
| 291 | E | 51.2 | Low | 52.8 | Low | 170 Ų | 170 | 117.7 Ų | 117.7 | 79% | 0.794 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -121.4 | -1.8 | -173.7 | -72.8 | -177.9 | 167.7 | 0 | 0 | 115.7 | ||
| 292 | L | 52.2 | Low | 50.4 | Low | 138 Ų | 138 | 124 Ų | 124 | 72% | 0.723 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -125.4 | 7.8 | -177 | -77.8 | 166.4 | 0 | 0 | 0 | 114.7 | ||
| 293 | V | 42.2 | Very low | 48.2 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 62% | 0.624 | 68% | 0.675 | S | S | * | * | trans | -101.7 | 88.6 | 171.9 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | E295 | V293-E295 VanDerWaalsContact C-N 3.32Å; V293-E295 PolarHBondContact O-N 2.88Å | ||
| 294 | E | 39.7 | Very low | 46.4 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 90% | 0.897 | 71% | 0.705 | S | S | * | * | trans | -57.5 | 105.1 | 153.8 | -79.9 | 179.5 | 153.8 | 0 | 0 | 106.6 | ||||
| 295 | E | 33.8 | Very low | 44.3 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | -46.9 | 123.6 | 169.4 | -79.8 | -87.3 | 140.1 | 0 | 0 | 108.8 | V293 R297 | V293-E295 VanDerWaalsContact C-N 3.32Å; V293-E295 PolarHBondContact O-N 2.88Å; E295-R297 PolarHBondContact O-N 3.37Å | ||
| 296 | P | 36.2 | Very low | 42.3 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 62% | 0.623 | 72% | 0.718 | S | S | * | * | trans | -63.7 | 109.7 | 176.3 | 26.2 | -31.4 | 0 | 0 | 0 | 108.1 | Q298 | P296-Q298 PolarHBondContact O-N 3.44Š| ||
| 297 | R | 37.6 | Very low | 40.8 | Very low | 233 Ų | 233 | 139.5 Ų | 139.5 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | trans | -58.5 | 105 | 166.9 | -74.9 | -171.4 | -175.1 | -166.9 | 2.3 | 108 | E295 D299 | E295-R297 PolarHBondContact O-N 3.37Å; R297-D299 PolarHBondContact O-N 2.91Å | ||
| 298 | Q | 33.1 | Very low | 39.7 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -74.2 | 94.5 | 166.4 | -68.2 | 173.9 | 2.1 | 0 | 0 | 107.3 | P296 | P296-Q298 PolarHBondContact O-N 3.44Š| ||
| 299 | D | 36 | Very low | 38.7 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -115 | 95.8 | 153.4 | -68.7 | -42.4 | 0 | 0 | 0 | 105.6 | R297 | R297-D299 PolarHBondContact O-N 2.91Š| ||
| 300 | G | 34.4 | Very low | 38.2 | Very low | 60 Ų | 60 | 146.5 Ų | 146.5 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | trans | -69.4 | 135.4 | 159 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 301 | D | 36.4 | Very low | 37.8 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | -176.1 | 142.8 | 114.4 | -85.4 | -27.5 | 0 | 0 | 0 | 110.8 | |||||
| 302 | E | 35.2 | Very low | 37.1 | Very low | 195 Ų | 195 | 144.4 Ų | 144.4 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | 73 | 108.3 | 161 | -88 | 172.6 | 162.2 | 0 | 0 | 122.3 | ||||
| 303 | F | 31.4 | Very low | 36.4 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -81.7 | 120.6 | 164.5 | 176.3 | -87.5 | 0 | 0 | 0 | 109.6 | ||||
| 304 | E | 36.6 | Very low | 36.2 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -163.5 | 102.6 | 139.8 | -118.3 | 167.3 | -178.4 | 0 | 0 | 113.2 | ||||
| 305 | A | 34.9 | Very low | 35.8 | Very low | 72 Ų | 72 | 149 Ų | 149 | 60% | 0.595 | 79% | 0.794 | S | S | * | * | trans | 30.8 | 116.2 | 134 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 306 | L | 34.1 | Very low | 35.8 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | 171.6 | 127.8 | 103.4 | -119.5 | 81.4 | 0 | 0 | 0 | 111.6 | |||||
| 307 | A | 36 | Very low | 35.9 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 50.4 | 124.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 308 | D | 36.9 | Very low | 35.8 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 101.4 | 131.9 | 145.7 | -131.3 | 11.2 | 0 | 0 | 0 | 118.9 | ||||
| 309 | D | 36.7 | Very low | 36 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | 75 | 131 | 162.4 | -59.5 | -44.5 | 0 | 0 | 0 | 123.1 | ||||
| 310 | G | 38.5 | Very low | 36.1 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 98.6 | 96.5 | 140.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 311 | H | 39.9 | Very low | 36.6 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -37.7 | 134.9 | 156 | -97.2 | -87 | 0 | 0 | 0 | 112.4 | L313 | H311-L313 VanDerWaalsContact C-N 3.31Å; H311-L313 PolarHBondContact O-N 3.37Å | ||
| 312 | P | 37.4 | Very low | 36.8 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | trans | -72.2 | 92.2 | 171.7 | 19.6 | -15.3 | 0 | 0 | 0 | 108.7 | Q314 | P312-Q314 PolarHBondContact O-N 3.22Š| ||
| 313 | L | 37.8 | Very low | 37 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | -68.3 | 106.7 | 159.6 | -76 | 174.6 | 0 | 0 | 0 | 106.3 | H311 E315 | H311-L313 VanDerWaalsContact C-N 3.31Å; H311-L313 PolarHBondContact O-N 3.37Å; L313-E315 PolarHBondContact O-N 3.27Å | ||
| 314 | Q | 37.4 | Very low | 37.6 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -42.2 | 111.8 | 166 | -170.7 | 164.7 | 9.3 | 0 | 0 | 109.1 | P312 M316 | P312-Q314 PolarHBondContact O-N 3.22Å; Q314-M316 PolarHBondContact O-N 3.05Å | ||
| 315 | E | 31.9 | Very low | 38 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -59.7 | 101.2 | -175.2 | -67.2 | 178.4 | 177 | 0 | 0 | 109.4 | L313 | L313-E315 PolarHBondContact O-N 3.27Š| ||
| 316 | M | 33.7 | Very low | 38.6 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | trans | -66.5 | 129.6 | 155.5 | -67.5 | -70.3 | -63.3 | 0 | 0 | 105.7 | Q314 S318 | Q314-M316 PolarHBondContact O-N 3.05Å; M316-S318 PolarHBondContact O-N 2.92Å | ||
| 317 | P | 37.9 | Very low | 39 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | trans | -58.1 | 110.8 | 176.3 | 22.6 | -31.4 | 0 | 0 | 0 | 108.1 | S319 | P317-S319 PolarHBondContact O-N 2.92Š| ||
| 318 | S | 34.8 | Very low | 39.7 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -61.7 | 111.1 | 178.2 | -168.6 | 0 | 0 | 0 | 0 | 107.2 | M316 T320 | M316-S318 PolarHBondContact O-N 2.92Å; S318-T320 PolarHBondContact O-N 2.84Å | ||
| 319 | S | 38.8 | Very low | 40.3 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -71.5 | 68.4 | -178.6 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | P317 | P317-S319 PolarHBondContact O-N 2.92Š|
| 320 | T | 36.9 | Very low | 40.8 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -159.9 | 116.2 | 163.4 | 47 | 0 | 0 | 0 | 0 | 104.6 | S318 | S318-T320 PolarHBondContact O-N 2.84Š|
| 321 | N | 45 | Very low | 40.7 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | trans | 88 | 41 | -176 | -40.6 | -27.3 | 0 | 0 | 0 | 115.7 | R323 | N321-R323 PolarHBondContact O-N 2.74Š| ||
| 322 | A | 41.7 | Very low | 40.9 | Very low | 89 Ų | 89 | 124 Ų | 124 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | -66.3 | 91 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | L324 | A322-L324 PolarHBondContact O-N 2.72Š| ||
| 323 | R | 38.8 | Very low | 41.4 | Very low | 222 Ų | 222 | 123.8 Ų | 123.8 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | trans | -47.4 | 104.8 | 168.2 | -163.3 | 177.8 | 176.1 | 109 | -1.1 | 107.2 | N321 D325 | N321-R323 PolarHBondContact O-N 2.74Å; R323-D325 VanDerWaalsContact C-N 3.28Å; R323-D325 PolarHBondContact O-N 3.1Å | ||
| 324 | L | 45 | Very low | 41.4 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 40% | 0.403 | 70% | 0.7 | S | S | . | * | trans | -71.8 | 92.3 | 175.4 | -67 | 173.8 | 0 | 0 | 0 | 106.4 | L176 F179 A322 V326 | L176-L324 HydrophobicContact CD2-CD1 4.44Å; F179-L324 HydrophobicContact CD1-CD1 3.83Å; F179-L324 HydrophobicContact CD1-CD2 4.17Å; F179-L324 HydrophobicContact CE1-CD1 3.82Å; F179-L324 HydrophobicContact CE1-CD2 3.37Å; F179-L324 HydrophobicContact CE1-CG 4.24Å; F179-L324 HydrophobicContact CZ-CD2 3.56Å; A322-L324 PolarHBondContact O-N 2.72Å; L324-V326 WeakPolarHBondContact O-CG2 3.3Å; L324-V326 PolarHBondContact O-N 3.42Å | ||
| 325 | D | 44.6 | Very low | 41.5 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 58% | 0.583 | 70% | 0.695 | S | S | * | * | trans | -62.7 | 102.4 | 167.4 | -108.4 | -6.2 | 0 | 0 | 0 | 107.4 | R323 N327 | R323-D325 VanDerWaalsContact C-N 3.28Å; R323-D325 PolarHBondContact O-N 3.1Å; D325-N327 PolarHBondContact O-N 2.89Å | ||
| 326 | V | 46.7 | Very low | 41.7 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 67% | 0.667 | 68% | 0.683 | S | S | * | * | trans | -79 | 45.7 | -178.3 | -153.5 | 0 | 0 | 0 | 0 | 110.1 | L324 A328 | L324-V326 WeakPolarHBondContact O-CG2 3.3Å; L324-V326 PolarHBondContact O-N 3.42Å; V326-A328 PolarHBondContact O-N 2.97Å | ||
| 327 | N | 43 | Very low | 42 | Very low | 94 Ų | 94 | 116.7 Ų | 116.7 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | trans | -83.5 | 107.8 | 169.7 | -80.8 | -34.5 | 0 | 0 | 0 | 108.2 | D325 A329 I330 | D325-N327 PolarHBondContact O-N 2.89Å; N327-A329 PolarHBondContact O-N 2.94Å; N327-I330 HydrophobicContact CB-CD1 4.26Å; N327-I330 PolarHBondContact O-N 3.17Å; N327-I330 VanDerWaalsContact O-N 3.14Å | ||
| 328 | A | 50.1 | Low | 42.1 | Very low | 90 Ų | 90 | 118.3 Ų | 118.3 | 74% | 0.744 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -12.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V326 | V326-A328 PolarHBondContact O-N 2.97Š|
| 329 | A | 50.5 | Low | 42.3 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 81% | 0.81 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -11.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N327 | N327-A329 PolarHBondContact O-N 2.94Š|
| 330 | I | 45.5 | Very low | 42.4 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 65% | 0.651 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -96.2 | -5.8 | -176.7 | -59 | 172.4 | 0 | 0 | 0 | 111.9 | N327 P332 | N327-I330 HydrophobicContact CB-CD1 4.26Å; N327-I330 PolarHBondContact O-N 3.17Å; N327-I330 VanDerWaalsContact O-N 3.14Å; I330-P332 WeakPolarHBondContact O-CD 3.32Å |
| 331 | F | 37.9 | Very low | 42.7 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 54% | 0.539 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -75.3 | 120.5 | 176.8 | -67.7 | -79 | 0 | 0 | 0 | 110.3 | ||
| 332 | P | 43.9 | Very low | 43 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 66% | 0.662 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 143.3 | 165.6 | 25.4 | -31.8 | 0 | 0 | 0 | 108.2 | I330 V334 | I330-P332 WeakPolarHBondContact O-CD 3.32Å; P332-V334 PolarHBondContact O-N 3.28Å |
| 333 | P | 47.4 | Very low | 43.7 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 83% | 0.825 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 121.2 | 175.5 | 23.2 | -32.3 | 0 | 0 | 0 | 107.7 | L335 | P333-L335 VanDerWaalsContact C-N 3.29Å; P333-L335 PolarHBondContact O-N 2.9Å |
| 334 | V | 39.1 | Very low | 44.3 | Very low | 124 Ų | 124 | 112.2 Ų | 112.2 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | trans | -57.1 | 97.4 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 106.5 | P332 E336 | P332-V334 PolarHBondContact O-N 3.28Å; V334-E336 HydrophobicContact CG1-CG 4.12Å; V334-E336 PolarHBondContact O-N 3.44Å | ||
| 335 | L | 39.3 | Very low | 45.2 | Very low | 148 Ų | 148 | 115.1 Ų | 115.1 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | trans | -65.5 | 102.3 | 154 | -170.4 | 69.3 | 0 | 0 | 0 | 103.2 | P333 D337 | P333-L335 VanDerWaalsContact C-N 3.29Å; P333-L335 PolarHBondContact O-N 2.9Å; L335-D337 PolarHBondContact O-N 3.26Å | ||
| 336 | E | 36 | Very low | 46.2 | Very low | 132 Ų | 132 | 115.8 Ų | 115.8 | 62% | 0.617 | 64% | 0.643 | S | S | * | * | trans | -57.7 | 84.8 | 169.6 | -72.6 | -175.6 | 141.3 | 0 | 0 | 107.2 | V334 R338 | V334-E336 HydrophobicContact CG1-CG 4.12Å; V334-E336 PolarHBondContact O-N 3.44Å; E336-R338 PolarHBondContact O-N 3.21Å; E336-R338 IonicContact OE1-NH1 2.65Å; E336-R338 PolarHBondContact OE1-NH1 3.13Å; E336-R338 IonicContact OE2-NH1 3.47Å; E336-R338 PolarHBondContact OE2-NH1 2.83Å | ||
| 337 | D | 39.3 | Very low | 47 | Very low | 137 Ų | 137 | 116 Ų | 116 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | trans | -69.1 | 62.6 | 150.3 | -84.4 | 0.3 | 0 | 0 | 0 | 106 | L335 V339 | L335-D337 PolarHBondContact O-N 3.26Å; D337-V339 PolarHBondContact O-N 3.33Å | ||
| 338 | R | 39.3 | Very low | 47.9 | Very low | 153 Ų | 153 | 115.9 Ų | 115.9 | 58% | 0.577 | 64% | 0.639 | S | S | * | * | trans | -57.1 | 99.5 | 136.9 | -84 | -175.4 | 163.5 | 97.7 | 2.2 | 103 | E336 D340 | E336-R338 PolarHBondContact O-N 3.21Å; E336-R338 IonicContact OE1-NH1 2.65Å; E336-R338 PolarHBondContact OE1-NH1 3.13Å; E336-R338 IonicContact OE2-NH1 3.47Å; E336-R338 PolarHBondContact OE2-NH1 2.83Å; R338-D340 PolarHBondContact O-N 3.08Å | ||
| 339 | V | 40.5 | Very low | 48.8 | Very low | 121 Ų | 121 | 117.8 Ų | 117.8 | 73% | 0.733 | 63% | 0.633 | S | S | * | * | trans | -60.4 | 79.4 | 148.3 | -83.1 | 0 | 0 | 0 | 0 | 105.3 | D337 L341 | D337-V339 PolarHBondContact O-N 3.33Å; V339-L341 PolarHBondContact O-N 3.1Å | ||
| 340 | D | 39.3 | Very low | 49.7 | Very low | 85 Ų | 85 | 119.5 Ų | 119.5 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | trans | -54.3 | 123.1 | 162.6 | -75.1 | -32.5 | 0 | 0 | 0 | 104 | R338 G342 D343 | R338-D340 PolarHBondContact O-N 3.08Å; D340-G342 PolarHBondContact O-N 3.49Å; D340-D343 PolarHBondContact O-N 3.37Å | ||
| 341 | L | 43.6 | Very low | 50.7 | Low | 149 Ų | 149 | 116.7 Ų | 116.7 | 78% | 0.78 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -53.6 | -19.8 | 175.3 | -78 | 125.3 | 0 | 0 | 0 | 111.3 | V339 E345 | V339-L341 PolarHBondContact O-N 3.1Å; L341-E345 PolarHBondContact O-N 2.9Å |
| 342 | G | 51.8 | Low | 51.9 | Low | 38 Ų | 38 | 116.3 Ų | 116.3 | 39% | 0.392 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.4 | -32.3 | 170 | 0 | 0 | 0 | 0 | 0 | 115.3 | D340 Q344 E345 M346 | D340-G342 PolarHBondContact O-N 3.49Å; G342-Q344 VanDerWaalsContact C-N 3.35Å; G342-E345 PolarHBondContact O-N 3.08Å; G342-M346 PolarHBondContact O-N 3.21Å |
| 343 | D | 57 | Low | 52.7 | Low | 81 Ų | 81 | 118.5 Ų | 118.5 | 43% | 0.433 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73.2 | -30.4 | 178.5 | -80.2 | -5.8 | 0 | 0 | 0 | 111.7 | D340 L347 | D340-D343 PolarHBondContact O-N 3.37Å; D343-L347 VanDerWaalsContact O-CB 3.31Å; D343-L347 WeakPolarHBondContact O-CB 3.24Å; D343-L347 PolarHBondContact O-N 2.94Å |
| 344 | Q | 51 | Low | 53.2 | Low | 131 Ų | 131 | 121.5 Ų | 121.5 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.6 | -33.2 | 174.6 | -148.2 | -177.4 | -45.6 | 0 | 0 | 111.6 | G342 L348 | G342-Q344 VanDerWaalsContact C-N 3.35Å; Q344-L348 HydrophobicContact CG-CD1 4.4Å; Q344-L348 WeakPolarHBondContact O-CB 3.5Å; Q344-L348 VanDerWaalsContact O-CD1 3.29Å; Q344-L348 WeakPolarHBondContact O-CD1 3.36Å; Q344-L348 PolarHBondContact O-N 2.98Å |
| 345 | E | 62.7 | Low | 54 | Low | 139 Ų | 139 | 120 Ų | 120 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.9 | -45.8 | 170.4 | -74.3 | -179.3 | 168.6 | 0 | 0 | 110.8 | L341 G342 L347 L348 E349 | L341-E345 PolarHBondContact O-N 2.9Å; G342-E345 PolarHBondContact O-N 3.08Å; E345-L347 PolarHBondContact O-N 2.99Å; E345-L348 PolarHBondContact O-N 3.45Å; E345-E349 VanDerWaalsContact O-CB 3.23Å; E345-E349 WeakPolarHBondContact O-CB 3.23Å; E345-E349 PolarHBondContact O-N 3.43Å |
| 346 | M | 66.1 | Low | 55.3 | Low | 122 Ų | 122 | 118 Ų | 118 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.1 | -39.1 | 175.4 | -102.3 | -178.5 | 51.1 | 0 | 0 | 113.2 | G342 E349 E350 | G342-M346 PolarHBondContact O-N 3.21Å; M346-E349 PolarHBondContact O-N 3.05Å; M346-E350 VanDerWaalsContact O-CB 3.24Å; M346-E350 WeakPolarHBondContact O-CB 3.06Å; M346-E350 PolarHBondContact O-N 2.97Å |
| 347 | L | 64 | Low | 56.7 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.8 | -31.2 | 175.1 | -97.9 | 142 | 0 | 0 | 0 | 112.9 | D343 E345 A351 | D343-L347 VanDerWaalsContact O-CB 3.31Å; D343-L347 WeakPolarHBondContact O-CB 3.24Å; D343-L347 PolarHBondContact O-N 2.94Å; E345-L347 PolarHBondContact O-N 2.99Å; L347-A351 WeakPolarHBondContact O-CB 3.31Å; L347-A351 PolarHBondContact O-N 3.45Å |
| 348 | L | 62.5 | Low | 58.1 | Low | 90 Ų | 90 | 113.1 Ų | 113.1 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70 | -45.5 | 169.4 | -104.3 | 89.2 | 0 | 0 | 0 | 110.1 | Q344 E345 E350 A351 F352 | Q344-L348 HydrophobicContact CG-CD1 4.4Å; Q344-L348 WeakPolarHBondContact O-CB 3.5Å; Q344-L348 VanDerWaalsContact O-CD1 3.29Å; Q344-L348 WeakPolarHBondContact O-CD1 3.36Å; Q344-L348 PolarHBondContact O-N 2.98Å; E345-L348 PolarHBondContact O-N 3.45Å; L348-E350 PolarHBondContact O-N 3.28Å; L348-A351 CarbonylContact O-C 3.59Å; L348-A351 PolarHBondContact O-N 3.43Å; L348-F352 HydrophobicContact CB-CD2 4.33Å; L348-F352 HydrophobicContact CD2-CD2 4.33Å; L348-F352 HydrophobicContact CD2-CE2 3.96Å; L348-F352 HydrophobicContact CG-CD2 4.26Å; L348-F352 HydrophobicContact CG-CE2 4.05Å; L348-F352 WeakPolarHBondContact O-CB 3.39Å; L348-F352 WeakPolarHBondContact O-CD2 3.09Å; L348-F352 PolarHBondContact O-N 2.77Å |
| 349 | E | 68.2 | Low | 59.8 | Low | 131 Ų | 131 | 107.9 Ų | 107.9 | 61% | 0.612 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.8 | -41.1 | -178.6 | -158.8 | 154.8 | -152.9 | 0 | 0 | 110.6 | E345 M346 F352 M353 | E345-E349 VanDerWaalsContact O-CB 3.23Å; E345-E349 WeakPolarHBondContact O-CB 3.23Å; E345-E349 PolarHBondContact O-N 3.43Å; M346-E349 PolarHBondContact O-N 3.05Å; E349-F352 CarbonylContact O-C 3.6Å; E349-F352 PolarHBondContact O-N 3.01Å; E349-M353 HydrophobicContact CG-CG 4.48Å; E349-M353 WeakPolarHBondContact O-CA 3.28Å; E349-M353 WeakPolarHBondContact O-CB 3.24Å; E349-M353 WeakPolarHBondContact O-CG 3.27Å; E349-M353 PolarHBondContact O-N 3.29Å |
| 350 | E | 69.6 | Low | 61.4 | Low | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.621 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.7 | -38 | 171.7 | -168.5 | 177.2 | -170.2 | 0 | 0 | 112.5 | M346 L348 F352 | M346-E350 VanDerWaalsContact O-CB 3.24Å; M346-E350 WeakPolarHBondContact O-CB 3.06Å; M346-E350 PolarHBondContact O-N 2.97Å; L348-E350 PolarHBondContact O-N 3.28Å; E350-F352 VanDerWaalsContact C-N 3.32Å; E350-F352 PolarHBondContact O-N 3.37Å |
| 351 | A | 67 | Low | 63 | Low | 69 Ų | 69 | 109.5 Ų | 109.5 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.5 | -20.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L347 L348 | L347-A351 WeakPolarHBondContact O-CB 3.31Å; L347-A351 PolarHBondContact O-N 3.45Å; L348-A351 CarbonylContact O-C 3.59Å; L348-A351 PolarHBondContact O-N 3.43Å |
| 352 | F | 62.5 | Low | 64.6 | Low | 114 Ų | 114 | 107.4 Ų | 107.4 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -108.4 | -8.4 | 177.8 | -73.5 | -73.4 | 0 | 0 | 0 | 113.4 | L348 E349 E350 E354 D355 V357 | L348-F352 HydrophobicContact CB-CD2 4.33Å; L348-F352 HydrophobicContact CD2-CD2 4.33Å; L348-F352 HydrophobicContact CD2-CE2 3.96Å; L348-F352 HydrophobicContact CG-CD2 4.26Å; L348-F352 HydrophobicContact CG-CE2 4.05Å; L348-F352 WeakPolarHBondContact O-CB 3.39Å; L348-F352 WeakPolarHBondContact O-CD2 3.09Å; L348-F352 PolarHBondContact O-N 2.77Å; E349-F352 CarbonylContact O-C 3.6Å; E349-F352 PolarHBondContact O-N 3.01Å; E350-F352 VanDerWaalsContact C-N 3.32Å; E350-F352 PolarHBondContact O-N 3.37Å; F352-E354 VanDerWaalsContact C-N 3.26Å; F352-E354 PolarHBondContact O-N 3.23Å; F352-D355 CarbonylContact O-C 3.57Å; F352-D355 PolarHBondContact O-N 2.8Å; F352-D355 VanDerWaalsContact O-O 3.11Å; F352-V357 HydrophobicContact CD1-CG2 3.76Å; F352-V357 HydrophobicContact CE1-CG2 4.14Å |
| 353 | M | 61.5 | Low | 65.8 | Low | 148 Ų | 148 | 108.2 Ų | 108.2 | 73% | 0.729 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -68.6 | -23 | 176.9 | -95.8 | -156.3 | -49.9 | 0 | 0 | 113.4 | E349 | E349-M353 HydrophobicContact CG-CG 4.48Å; E349-M353 WeakPolarHBondContact O-CA 3.28Å; E349-M353 WeakPolarHBondContact O-CB 3.24Å; E349-M353 WeakPolarHBondContact O-CG 3.27Å; E349-M353 PolarHBondContact O-N 3.29Å |
| 354 | E | 57.1 | Low | 66.4 | Low | 191 Ų | 191 | 110.9 Ų | 110.9 | 89% | 0.893 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -96 | -10.3 | 175.8 | -76.4 | -177.8 | 159.6 | 0 | 0 | 113.7 | F352 | F352-E354 VanDerWaalsContact C-N 3.26Å; F352-E354 PolarHBondContact O-N 3.23Å |
| 355 | D | 56.4 | Low | 67.5 | Low | 91 Ų | 91 | 108 Ų | 108 | 49% | 0.487 | 56% | 0.564 | S | S | . | * | trans | -121.7 | 87.9 | -176.3 | -147.5 | 17.5 | 0 | 0 | 0 | 107.5 | F352 V357 | F352-D355 CarbonylContact O-C 3.57Å; F352-D355 PolarHBondContact O-N 2.8Å; F352-D355 VanDerWaalsContact O-O 3.11Å; D355-V357 WeakPolarHBondContact O-CG2 3.23Å; D355-V357 PolarHBondContact O-N 3.08Å | ||
| 356 | D | 66 | Low | 67.7 | Low | 106 Ų | 106 | 108 Ų | 108 | 57% | 0.567 | 56% | 0.564 | S | S | * | * | trans | -72.9 | 73.1 | 178.9 | -162.8 | -10.2 | 0 | 0 | 0 | 109.7 | V358 A359 D360 | D356-V358 PolarHBondContact O-N 2.84Å; D356-A359 HydrophobicContact CB-CB 4.07Å; D356-A359 PolarHBondContact O-N 3.47Å; D356-A359 PolarHBondContact OD1-N 3.48Å; D356-D360 PolarHBondContact O-N 2.9Å | ||
| 357 | V | 65.7 | Low | 67.4 | Low | 77 Ų | 77 | 106.7 Ų | 106.7 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.7 | -23 | -175 | -134 | 0 | 0 | 0 | 0 | 112 | F352 D355 F361 | F352-V357 HydrophobicContact CD1-CG2 3.76Å; F352-V357 HydrophobicContact CE1-CG2 4.14Å; D355-V357 WeakPolarHBondContact O-CG2 3.23Å; D355-V357 PolarHBondContact O-N 3.08Å; V357-F361 WeakPolarHBondContact O-CB 3.34Å; V357-F361 PolarHBondContact O-N 3.01Å; V357-F361 VanDerWaalsContact O-N 3.12Å |
| 358 | V | 69.1 | Low | 67.2 | Low | 90 Ų | 90 | 105.8 Ų | 105.8 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -80.3 | -43.9 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | D356 F361 E362 | D356-V358 PolarHBondContact O-N 2.84Å; V358-F361 PolarHBondContact O-N 3.47Å; V358-E362 HydrophobicContact CG1-CG 4.38Å; V358-E362 VanDerWaalsContact O-CB 3.31Å; V358-E362 WeakPolarHBondContact O-CB 3.36Å; V358-E362 VanDerWaalsContact O-CG 3.31Å; V358-E362 WeakPolarHBondContact O-CG 3.44Å; V358-E362 PolarHBondContact O-N 2.84Å |
| 359 | A | 73.9 | Confident | 66.7 | Low | 44 Ų | 44 | 109.7 Ų | 109.7 | 36% | 0.364 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.4 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | D356 E362 A363 | D356-A359 HydrophobicContact CB-CB 4.07Å; D356-A359 PolarHBondContact O-N 3.47Å; D356-A359 PolarHBondContact OD1-N 3.48Å; A359-E362 PolarHBondContact O-N 3.33Å; A359-A363 VanDerWaalsContact O-CB 3.3Å; A359-A363 WeakPolarHBondContact O-CB 3.21Å; A359-A363 PolarHBondContact O-N 2.86Å |
| 360 | D | 74.2 | Confident | 65.9 | Low | 103 Ų | 103 | 111.9 Ų | 111.9 | 55% | 0.551 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.7 | -39.4 | 176.4 | -83.2 | -4.1 | 0 | 0 | 0 | 111.6 | D356 A363 E364 | D356-D360 PolarHBondContact O-N 2.9Å; D360-A363 PolarHBondContact O-N 3.02Å; D360-E364 WeakPolarHBondContact O-CB 3.29Å; D360-E364 PolarHBondContact O-N 2.92Å |
| 361 | F | 74.1 | Confident | 65.3 | Low | 136 Ų | 136 | 113.6 Ų | 113.6 | 60% | 0.596 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.5 | -37.1 | 174.8 | -174.7 | -101.1 | 0 | 0 | 0 | 112.4 | V357 V358 T365 | V357-F361 WeakPolarHBondContact O-CB 3.34Å; V357-F361 PolarHBondContact O-N 3.01Å; V357-F361 VanDerWaalsContact O-N 3.12Å; V358-F361 PolarHBondContact O-N 3.47Å; F361-T365 HydrophobicContact CD1-CG2 4.06Å; F361-T365 HydrophobicContact CD2-CG2 4.36Å; F361-T365 HydrophobicContact CE1-CG2 3.69Å; F361-T365 HydrophobicContact CE2-CG2 4.02Å; F361-T365 HydrophobicContact CG-CG2 4.39Å; F361-T365 HydrophobicContact CZ-CG2 3.67Å; F361-T365 VanDerWaalsContact O-CB 3.28Å; F361-T365 WeakPolarHBondContact O-CB 3.34Å; F361-T365 VanDerWaalsContact O-CG2 3.22Å; F361-T365 WeakPolarHBondContact O-CG2 3.46Å; F361-T365 PolarHBondContact O-N 3.23Å; F361-T365 PolarHBondContact O-OG1 2.85Å |
| 362 | E | 77.2 | Confident | 64.4 | Low | 106 Ų | 106 | 116.2 Ų | 116.2 | 50% | 0.495 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.2 | -36.5 | 174 | -75.2 | -176.6 | 180 | 0 | 0 | 111.6 | V358 A359 T365 Q366 | V358-E362 HydrophobicContact CG1-CG 4.38Å; V358-E362 VanDerWaalsContact O-CB 3.31Å; V358-E362 WeakPolarHBondContact O-CB 3.36Å; V358-E362 VanDerWaalsContact O-CG 3.31Å; V358-E362 WeakPolarHBondContact O-CG 3.44Å; V358-E362 PolarHBondContact O-N 2.84Å; A359-E362 PolarHBondContact O-N 3.33Å; E362-T365 WeakPolarHBondContact CA-OG1 3.47Å; E362-T365 PolarHBondContact O-OG1 3.44Å; E362-Q366 VanDerWaalsContact O-CB 3.24Å; E362-Q366 WeakPolarHBondContact O-CB 3.3Å; E362-Q366 VanDerWaalsContact O-CG 3.28Å; E362-Q366 WeakPolarHBondContact O-CG 3.46Å; E362-Q366 PolarHBondContact O-N 2.88Å |
| 363 | A | 75.3 | Confident | 63.9 | Low | 54 Ų | 54 | 116.7 Ų | 116.7 | 45% | 0.446 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.6 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | A359 D360 S367 | A359-A363 VanDerWaalsContact O-CB 3.3Å; A359-A363 WeakPolarHBondContact O-CB 3.21Å; A359-A363 PolarHBondContact O-N 2.86Å; D360-A363 PolarHBondContact O-N 3.02Å; A363-S367 VanDerWaalsContact O-CB 3.28Å; A363-S367 WeakPolarHBondContact O-CB 3.38Å; A363-S367 PolarHBondContact O-N 3.45Å; A363-S367 PolarHBondContact O-OG 2.86Å |
| 364 | E | 70.9 | Confident | 63.5 | Low | 138 Ų | 138 | 117.6 Ų | 117.6 | 65% | 0.645 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.3 | -33.9 | 176 | -142.1 | 176.1 | -160.6 | 0 | 0 | 111 | D360 S367 V368 | D360-E364 WeakPolarHBondContact O-CB 3.29Å; D360-E364 PolarHBondContact O-N 2.92Å; E364-S367 PolarHBondContact O-OG 3.25Å; E364-V368 WeakPolarHBondContact O-CB 3.26Å; E364-V368 WeakPolarHBondContact O-CG2 3.32Å; E364-V368 PolarHBondContact O-N 3.23Å |
| 365 | T | 73 | Confident | 63.6 | Low | 70 Ų | 70 | 116.8 Ų | 116.8 | 43% | 0.429 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77.7 | -30.2 | 174.9 | 53 | 0 | 0 | 0 | 0 | 113.7 | F361 E362 | F361-T365 HydrophobicContact CD1-CG2 4.06Å; F361-T365 HydrophobicContact CD2-CG2 4.36Å; F361-T365 HydrophobicContact CE1-CG2 3.69Å; F361-T365 HydrophobicContact CE2-CG2 4.02Å; F361-T365 HydrophobicContact CG-CG2 4.39Å; F361-T365 HydrophobicContact CZ-CG2 3.67Å; F361-T365 VanDerWaalsContact O-CB 3.28Å; F361-T365 WeakPolarHBondContact O-CB 3.34Å; F361-T365 VanDerWaalsContact O-CG2 3.22Å; F361-T365 WeakPolarHBondContact O-CG2 3.46Å; F361-T365 PolarHBondContact O-N 3.23Å; F361-T365 PolarHBondContact O-OG1 2.85Å; E362-T365 WeakPolarHBondContact CA-OG1 3.47Å; E362-T365 PolarHBondContact O-OG1 3.44Å |
| 366 | Q | 66.7 | Low | 64 | Low | 138 Ų | 138 | 117.3 Ų | 117.3 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -78.4 | -33.7 | 172.5 | -76.6 | 178.6 | 13.5 | 0 | 0 | 112.9 | E362 V368 E369 | E362-Q366 VanDerWaalsContact O-CB 3.24Å; E362-Q366 WeakPolarHBondContact O-CB 3.3Å; E362-Q366 VanDerWaalsContact O-CG 3.28Å; E362-Q366 WeakPolarHBondContact O-CG 3.46Å; E362-Q366 PolarHBondContact O-N 2.88Å; Q366-V368 VanDerWaalsContact C-N 3.31Å; Q366-E369 WeakPolarHBondContact O-CB 3.45Å; Q366-E369 PolarHBondContact O-N 3.07Å |
| 367 | S | 61 | Low | 64.1 | Low | 95 Ų | 95 | 120.1 Ų | 120.1 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.2 | -18.8 | 176.2 | 59 | 0 | 0 | 0 | 0 | 113.4 | A363 E364 E369 | A363-S367 VanDerWaalsContact O-CB 3.28Å; A363-S367 WeakPolarHBondContact O-CB 3.38Å; A363-S367 PolarHBondContact O-N 3.45Å; A363-S367 PolarHBondContact O-OG 2.86Å; E364-S367 PolarHBondContact O-OG 3.25Å; S367-E369 PolarHBondContact O-N 2.71Å |
| 368 | V | 60.2 | Low | 64.1 | Low | 98 Ų | 98 | 121.1 Ų | 121.1 | 59% | 0.594 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 16.9 | 170.2 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | E364 Q366 E370 | E364-V368 WeakPolarHBondContact O-CB 3.26Å; E364-V368 WeakPolarHBondContact O-CG2 3.32Å; E364-V368 PolarHBondContact O-N 3.23Å; Q366-V368 VanDerWaalsContact C-N 3.31Å; V368-E370 WeakPolarHBondContact O-CA 3.27Å; V368-E370 PolarHBondContact O-N 2.93Å |
| 369 | E | 51.3 | Low | 64 | Low | 171 Ų | 171 | 119.4 Ų | 119.4 | 80% | 0.799 | 66% | 0.656 | S | S | * | * | trans | -45.5 | 108.1 | 175.8 | -130.2 | 177.7 | -179.6 | 0 | 0 | 110.4 | Q366 S367 Q371 | Q366-E369 WeakPolarHBondContact O-CB 3.45Å; Q366-E369 PolarHBondContact O-N 3.07Å; S367-E369 PolarHBondContact O-N 2.71Å; E369-Q371 PolarHBondContact O-N 3.45Å; E369-Q371 VanDerWaalsContact O-N 3.09Å | ||
| 370 | E | 52.4 | Low | 63.8 | Low | 178 Ų | 178 | 129.5 Ų | 129.5 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | trans | -64.1 | 111.9 | -165.6 | -63 | 175 | 148.1 | 0 | 0 | 107.9 | V368 | V368-E370 WeakPolarHBondContact O-CA 3.27Å; V368-E370 PolarHBondContact O-N 2.93Å | ||
| 371 | Q | 55.4 | Low | 63.3 | Low | 168 Ų | 168 | 131.3 Ų | 131.3 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | -51.2 | 137.7 | 162.6 | -67.5 | -149.7 | -0.9 | 0 | 0 | 108.2 | E369 V373 | E369-Q371 PolarHBondContact O-N 3.45Å; E369-Q371 VanDerWaalsContact O-N 3.09Å; Q371-V373 PolarHBondContact O-N 2.94Å | ||
| 372 | P | 49.8 | Very low | 62.8 | Low | 125 Ų | 125 | 128.6 Ų | 128.6 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | trans | -60.7 | 98.3 | -177.2 | 25.2 | -33.8 | 0 | 0 | 0 | 109.3 | E374 | P372-E374 PolarHBondContact O-N 2.86Å; P372-E374 VanDerWaalsContact O-N 3.09Å | ||
| 373 | V | 51.7 | Low | 62.2 | Low | 123 Ų | 123 | 135.6 Ų | 135.6 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | trans | -68.9 | 107.3 | 170.3 | -179.7 | 0 | 0 | 0 | 0 | 106.3 | Q371 L375 | Q371-V373 PolarHBondContact O-N 2.94Å; V373-L375 PolarHBondContact O-N 3.45Å | ||
| 374 | E | 51.6 | Low | 61.9 | Low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -53.9 | 107.8 | 168.8 | -91.1 | 177.6 | 158.7 | 0 | 0 | 109.2 | P372 T376 | P372-E374 PolarHBondContact O-N 2.86Å; P372-E374 VanDerWaalsContact O-N 3.09Å; E374-T376 PolarHBondContact O-N 2.9Å | ||
| 375 | L | 60.7 | Low | 61.4 | Low | 173 Ų | 173 | 133.7 Ų | 133.7 | 91% | 0.906 | 72% | 0.716 | S | S | * | * | trans | -73.8 | 18.3 | 177.7 | -76.7 | 163.3 | 0 | 0 | 0 | 113.2 | V373 L377 | V373-L375 PolarHBondContact O-N 3.45Å; L375-L377 PolarHBondContact O-N 3.49Å | ||
| 376 | T | 63.3 | Low | 60.9 | Low | 103 Ų | 103 | 137.6 Ų | 137.6 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | trans | -90.5 | 97.3 | 168.4 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | E374 P378 | E374-T376 PolarHBondContact O-N 2.9Å; T376-P378 WeakPolarHBondContact O-CD 3.11Å; T376-P378 VanDerWaalsContact O-N 3.15Å | ||
| 377 | L | 68.5 | Low | 60.9 | Low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 122.2 | 165.7 | -77.3 | 162 | 0 | 0 | 0 | 108.1 | L375 G379 | L375-L377 PolarHBondContact O-N 3.49Å; L377-G379 PolarHBondContact O-N 3.38Å |
| 378 | P | 65.5 | Low | 60.8 | Low | 98 Ų | 98 | 132.8 Ų | 132.8 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 118.5 | 177.1 | -4.7 | 11.1 | 0 | 0 | 0 | 107.9 | T376 S382 | T376-P378 WeakPolarHBondContact O-CD 3.11Å; T376-P378 VanDerWaalsContact O-N 3.15Å; P378-S382 VanDerWaalsContact CB-CB 3.43Å |
| 379 | G | 68.6 | Low | 60.6 | Low | 53 Ų | 53 | 135.8 Ų | 135.8 | 55% | 0.546 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 164 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L377 N381 S382 | L377-G379 PolarHBondContact O-N 3.38Å; G379-N381 PolarHBondContact O-N 2.85Å; G379-S382 WeakPolarHBondContact O-CB 3.41Å; G379-S382 PolarHBondContact O-N 3.32Å |
| 380 | W | 68.7 | Low | 61.1 | Low | 256 Ų | 256 | 133.9 Ų | 133.9 | 97% | 0.97 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | -14.6 | -179.1 | -159.1 | -82.2 | 0 | 0 | 0 | 114.7 | ||
| 381 | N | 62.8 | Low | 61.5 | Low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -8.3 | -176.9 | -50.1 | 16.3 | 0 | 0 | 0 | 113.1 | G379 | G379-N381 PolarHBondContact O-N 2.85Š|
| 382 | S | 63.7 | Low | 61.5 | Low | 78 Ų | 78 | 133.3 Ų | 133.3 | 55% | 0.545 | 75% | 0.748 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | 4.7 | -174 | -162 | 0 | 0 | 0 | 0 | 114.9 | P378 G379 | P378-S382 VanDerWaalsContact CB-CB 3.43Å; G379-S382 WeakPolarHBondContact O-CB 3.41Å; G379-S382 PolarHBondContact O-N 3.32Å |
| 383 | W | 65.8 | Low | 61.8 | Low | 254 Ų | 254 | 136.3 Ų | 136.3 | 96% | 0.962 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -5.2 | 175.7 | -96.5 | 17.7 | 0 | 0 | 0 | 114.4 | G385 | W383-G385 PolarHBondContact O-N 3.3Š|
| 384 | V | 69.1 | Low | 61.8 | Low | 104 Ų | 104 | 136.2 Ų | 136.2 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -86.2 | 110 | 179.1 | -163.5 | 0 | 0 | 0 | 0 | 108.5 | A388 | V384-A388 HydrophobicContact CB-CB 4.06Å; V384-A388 HydrophobicContact CG1-CB 3.13Å |
| 385 | G | 58.9 | Low | 61.5 | Low | 48 Ų | 48 | 136.2 Ų | 136.2 | 50% | 0.495 | 75% | 0.749 | S | S | . | * | trans | -55.1 | 165.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | W383 G387 A388 | W383-G385 PolarHBondContact O-N 3.3Å; G385-G387 PolarHBondContact O-N 3.38Å; G385-A388 PolarHBondContact O-N 2.91Å | ||
| 386 | P | 63.8 | Low | 60.6 | Low | 152 Ų | 152 | 135.3 Ų | 135.3 | 99% | 0.987 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 101.8 | -177.8 | 24 | -32.8 | 0 | 0 | 0 | 110.1 | ||
| 387 | G | 66.1 | Low | 59.8 | Low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.1 | -13.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | G385 | G385-G387 PolarHBondContact O-N 3.38Š|
| 388 | A | 59.4 | Low | 58.3 | Low | 53 Ų | 53 | 135.8 Ų | 135.8 | 44% | 0.438 | 75% | 0.745 | S | S | . | * | trans | -87.8 | 125.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V384 G385 V390 | V384-A388 HydrophobicContact CB-CB 4.06Å; V384-A388 HydrophobicContact CG1-CB 3.13Å; G385-A388 PolarHBondContact O-N 2.91Å; A388-V390 PolarHBondContact O-N 2.88Å | ||
| 389 | I | 56.6 | Low | 57 | Low | 161 Ų | 161 | 136.9 Ų | 136.9 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -69.9 | 96.9 | 174 | -57.1 | 162.7 | 0 | 0 | 0 | 107.9 | R391 | I389-R391 PolarHBondContact O-N 2.83Š| ||
| 390 | V | 60 | Low | 55.8 | Low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -69.5 | 113.1 | 164.9 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | A388 | A388-V390 PolarHBondContact O-N 2.88Š| ||
| 391 | R | 61.5 | Low | 54.4 | Low | 217 Ų | 217 | 136.1 Ų | 136.1 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.6 | 171.1 | -70.3 | -178.5 | -167.4 | -126.7 | 0.5 | 107.8 | I389 E393 | I389-R391 PolarHBondContact O-N 2.83Å; R391-E393 PolarHBondContact O-N 3.44Å |
| 392 | P | 56.5 | Low | 53.6 | Low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 124.1 | 175.8 | 9.8 | -6.9 | 0 | 0 | 0 | 109 | V394 | P392-V394 PolarHBondContact O-N 3.29Š|
| 393 | E | 55.8 | Low | 52.4 | Low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60 | 116.9 | 166.6 | -74.4 | -175 | 165.3 | 0 | 0 | 108 | R391 K395 | R391-E393 PolarHBondContact O-N 3.44Å; E393-K395 PolarHBondContact O-N 2.82Å; E393-K395 VanDerWaalsContact O-N 3.13Å |
| 394 | V | 51.4 | Low | 51.4 | Low | 122 Ų | 122 | 132.7 Ų | 132.7 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | -66.4 | 110.6 | 173.3 | 178.1 | 0 | 0 | 0 | 0 | 106.9 | P392 D396 | P392-V394 PolarHBondContact O-N 3.29Å; V394-D396 PolarHBondContact O-N 2.79Å; V394-D396 VanDerWaalsContact O-N 3.13Å | ||
| 395 | K | 44.3 | Very low | 49.9 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | -65.9 | 105.2 | 165 | -72.7 | 178.2 | 175.3 | 179.7 | 0 | 107.6 | E393 E397 | E393-K395 PolarHBondContact O-N 2.82Å; E393-K395 VanDerWaalsContact O-N 3.13Å; K395-E397 HydrophobicContact CB-CG 4.17Å; K395-E397 PolarHBondContact O-N 3.25Å | ||
| 396 | D | 43.1 | Very low | 49.4 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -70.8 | 79.7 | 165.2 | -76.9 | -27.3 | 0 | 0 | 0 | 108.7 | V394 T398 | V394-D396 PolarHBondContact O-N 2.79Å; V394-D396 VanDerWaalsContact O-N 3.13Å; D396-T398 PolarHBondContact O-N 2.92Å | ||
| 397 | E | 46.1 | Very low | 48.4 | Very low | 141 Ų | 141 | 138 Ų | 138 | 66% | 0.659 | 79% | 0.788 | S | S | * | * | trans | -79 | 111.6 | 165.2 | -61.5 | -152.3 | 179.7 | 0 | 0 | 109.1 | K395 S399 | K395-E397 HydrophobicContact CB-CG 4.17Å; K395-E397 PolarHBondContact O-N 3.25Å; E397-S399 PolarHBondContact O-N 2.91Å; E397-S399 PolarHBondContact O-OG 2.99Å | ||
| 398 | T | 36 | Very low | 47.6 | Very low | 137 Ų | 137 | 140 Ų | 140 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -17 | 99.9 | 157.7 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | D396 | D396-T398 PolarHBondContact O-N 2.92Š| ||
| 399 | S | 39.8 | Very low | 47.5 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -116 | 104.8 | 167.1 | -67.1 | 0 | 0 | 0 | 0 | 108.8 | E397 | E397-S399 PolarHBondContact O-N 2.91Å; E397-S399 PolarHBondContact O-OG 2.99Å | ||
| 400 | S | 41.7 | Very low | 47.7 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -75.1 | 149.5 | 179 | 19 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 401 | K | 39.4 | Very low | 47.5 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | 59.2 | 103.6 | 158.2 | -64.9 | 170.6 | -179.4 | 171.4 | 0 | 115.7 | ||||
| 402 | N | 47.3 | Very low | 47.4 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | -153 | 125.4 | 126.1 | -87.4 | -36.1 | 0 | 0 | 0 | 111 | |||||
| 403 | V | 37.3 | Very low | 47.8 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -78.1 | 121.6 | 175.4 | 167.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 404 | A | 45.7 | Very low | 48.4 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -148.9 | 113.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T406 | A404-T406 PolarHBondContact O-N 2.79Š| ||
| 405 | K | 38 | Very low | 49.3 | Very low | 206 Ų | 206 | 146 Ų | 146 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -66 | 117.5 | 171.8 | -77.5 | 164.1 | 168.8 | 167.2 | 0 | 109.5 | ||||
| 406 | T | 47.3 | Very low | 50.7 | Low | 120 Ų | 120 | 145.8 Ų | 145.8 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -147.2 | 120.4 | 154.4 | 43.9 | 0 | 0 | 0 | 0 | 108.4 | A404 V408 | A404-T406 PolarHBondContact O-N 2.79Å; T406-V408 PolarHBondContact O-N 3.33Å | ||
| 407 | G | 42.1 | Very low | 52.5 | Low | 88 Ų | 88 | 146.7 Ų | 146.7 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | -62.1 | 125.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 408 | V | 50.1 | Low | 54.4 | Low | 120 Ų | 120 | 144.2 Ų | 144.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -112.5 | 118.1 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | T406 | T406-V408 PolarHBondContact O-N 3.33Š| ||
| 409 | S | 58.5 | Low | 56.7 | Low | 100 Ų | 100 | 145.7 Ų | 145.7 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -49.4 | 147.1 | 176 | -46.6 | 0 | 0 | 0 | 0 | 112.5 | K411 | S409-K411 PolarHBondContact O-N 2.84Š| ||
| 410 | P | 59.1 | Low | 58.9 | Low | 128 Ų | 128 | 148.7 Ų | 148.7 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 112.5 | -173.6 | 25.3 | -32.7 | 0 | 0 | 0 | 111 | K412 | P410-K412 PolarHBondContact O-N 3.16Š| ||
| 411 | K | 57.3 | Low | 61 | Low | 193 Ų | 193 | 148.7 Ų | 148.7 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 121.1 | 168.7 | -72.9 | -178.4 | 176.8 | 179.9 | 0 | 108.3 | S409 | S409-K411 PolarHBondContact O-N 2.84Š|
| 412 | K | 58.5 | Low | 63.2 | Low | 192 Ų | 192 | 145.6 Ų | 145.6 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 140.1 | 173.7 | -75.4 | 175 | 177 | 174.6 | 0 | 109.8 | P410 E414 | P410-K412 PolarHBondContact O-N 3.16Å; K412-E414 PolarHBondContact O-N 3.4Å |
| 413 | P | 65 | Low | 65.3 | Low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128 | 178.9 | 26.1 | -33.3 | 0 | 0 | 0 | 109.8 | K415 | P413-K415 PolarHBondContact O-N 2.76Š|
| 414 | E | 68.2 | Low | 67.6 | Low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 130.5 | 173.4 | -70 | 176.6 | 174.1 | 0 | 0 | 109.6 | K412 K416 | K412-E414 PolarHBondContact O-N 3.4Å; E414-K416 PolarHBondContact O-N 3.49Å |
| 415 | K | 71 | Confident | 69.7 | Low | 197 Ų | 197 | 144.3 Ų | 144.3 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -65.9 | 104.4 | 176.3 | -64.7 | 178.6 | -179 | 179.3 | 0 | 108.2 | P413 L417 | P413-K415 PolarHBondContact O-N 2.76Å; K415-L417 PolarHBondContact O-N 2.89Å | ||
| 416 | K | 72.6 | Confident | 72.2 | Confident | 163 Ų | 163 | 142.9 Ų | 142.9 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | trans | -63.4 | 126.5 | 172.6 | -65.5 | -175.6 | -179.8 | -177.1 | 0 | 108.8 | E414 V418 | E414-K416 PolarHBondContact O-N 3.49Å; K416-V418 PolarHBondContact O-N 3.36Å | ||
| 417 | L | 82.4 | Confident | 74.2 | Confident | 173 Ų | 173 | 141.6 Ų | 141.6 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -66.2 | -24.6 | -178.9 | -98.5 | 78.2 | 0 | 0 | 0 | 113.6 | K415 | K415-L417 PolarHBondContact O-N 2.89Š|
| 418 | V | 85.5 | Confident | 76.5 | Confident | 88 Ų | 88 | 141.2 Ų | 141.2 | 53% | 0.533 | 75% | 0.751 | S | S | . | * | trans | -131.2 | 127.7 | -175.7 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | K416 F420 | K416-V418 PolarHBondContact O-N 3.36Å; V418-F420 HydrophobicContact CB-CE2 4.41Å; V418-F420 HydrophobicContact CG1-CD1 4.35Å; V418-F420 HydrophobicContact CG1-CD2 4.27Å; V418-F420 HydrophobicContact CG1-CE1 3.94Å; V418-F420 HydrophobicContact CG1-CE2 3.85Å; V418-F420 HydrophobicContact CG1-CZ 3.67Å | ||
| 419 | H | 83 | Confident | 78.4 | Confident | 168 Ų | 168 | 143.1 Ų | 143.1 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | trans | -106.9 | 108.6 | 171.3 | -66.3 | -82.3 | 0 | 0 | 0 | 109 | ||||
| 420 | F | 86.6 | Confident | 80 | Confident | 185 Ų | 185 | 142.9 Ų | 142.9 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -79.7 | 134.8 | 169.9 | -60.8 | -77.8 | 0 | 0 | 0 | 109.5 | V418 | V418-F420 HydrophobicContact CB-CE2 4.41Å; V418-F420 HydrophobicContact CG1-CD1 4.35Å; V418-F420 HydrophobicContact CG1-CD2 4.27Å; V418-F420 HydrophobicContact CG1-CE1 3.94Å; V418-F420 HydrophobicContact CG1-CE2 3.85Å; V418-F420 HydrophobicContact CG1-CZ 3.67Å | ||
| 421 | S | 86.9 | Confident | 81.5 | Confident | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -74 | 127.4 | 171.4 | 59.2 | 0 | 0 | 0 | 0 | 109.5 | K423 | S421-K423 VanDerWaalsContact C-N 3.27Å; S421-K423 PolarHBondContact O-N 3.2Å | ||
| 422 | S | 85.9 | Confident | 83.1 | Confident | 125 Ų | 125 | 142.6 Ų | 142.6 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -88.1 | 9.2 | 177.2 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 423 | K | 90.1 | Very high | 84.6 | Confident | 176 Ų | 176 | 138.6 Ų | 138.6 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | trans | -81.9 | 133.7 | -176.6 | -64.6 | -176 | -179.5 | -178.8 | 0 | 109.8 | S421 | S421-K423 VanDerWaalsContact C-N 3.27Å; S421-K423 PolarHBondContact O-N 3.2Å | ||
| 424 | A | 86.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 137.1 Ų | 137.1 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | trans | -69 | 137.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E426 | A424-E426 PolarHBondContact O-N 2.82Š| ||
| 425 | N | 89.3 | Confident | 87.2 | Confident | 104 Ų | 104 | 132.1 Ų | 132.1 | 56% | 0.556 | 73% | 0.725 | S | S | * | * | trans | -84.4 | 112.4 | 175.8 | -73.5 | -46.5 | 0 | 0 | 0 | 110.3 | S427 L428 K429 | N425-S427 VanDerWaalsContact C-N 3.26Å; N425-S427 PolarHBondContact O-N 3.03Å; N425-L428 HydrophobicContact CB-CB 4.24Å; N425-L428 HydrophobicContact CB-CD1 3.92Å; N425-L428 HydrophobicContact CB-CG 3.96Å; N425-L428 PolarHBondContact O-N 3.09Å; N425-L428 VanDerWaalsContact O-N 3.15Å; N425-K429 PolarHBondContact O-N 3.46Å | ||
| 426 | E | 90.3 | Very high | 88.3 | Confident | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -61.8 | -32.5 | -179.1 | -65.6 | -179.7 | 172.1 | 0 | 0 | 112.9 | A424 L428 K429 | A424-E426 PolarHBondContact O-N 2.82Å; E426-L428 VanDerWaalsContact C-N 3.31Å; E426-L428 PolarHBondContact O-N 3.46Å; E426-K429 WeakPolarHBondContact O-CB 3.43Å; E426-K429 PolarHBondContact O-N 3.42Å |
| 427 | S | 90.2 | Very high | 89.4 | Confident | 93 Ų | 93 | 120 Ų | 120 | 65% | 0.65 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.9 | -28.4 | 177.1 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | N425 | N425-S427 VanDerWaalsContact C-N 3.26Å; N425-S427 PolarHBondContact O-N 3.03Å |
| 428 | L | 89.7 | Confident | 90 | Very high | 79 Ų | 79 | 121.2 Ų | 121.2 | 41% | 0.414 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -80.5 | -24 | 177.6 | -66.9 | -178.8 | 0 | 0 | 0 | 112.2 | N425 E426 A430 K431 Q432 | N425-L428 HydrophobicContact CB-CB 4.24Å; N425-L428 HydrophobicContact CB-CD1 3.92Å; N425-L428 HydrophobicContact CB-CG 3.96Å; N425-L428 PolarHBondContact O-N 3.09Å; N425-L428 VanDerWaalsContact O-N 3.15Å; E426-L428 VanDerWaalsContact C-N 3.31Å; E426-L428 PolarHBondContact O-N 3.46Å; L428-A430 PolarHBondContact O-N 2.86Å; L428-K431 PolarHBondContact O-N 2.66Å; L428-Q432 PolarHBondContact O-N 2.91Å |
| 429 | K | 90.5 | Very high | 90.5 | Very high | 160 Ų | 160 | 121.6 Ų | 121.6 | 70% | 0.696 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -58.6 | -35.5 | -179.2 | -168.7 | 178.2 | -179.7 | -178.9 | 0 | 112.3 | N425 E426 K431 Q432 | N425-K429 PolarHBondContact O-N 3.46Å; E426-K429 WeakPolarHBondContact O-CB 3.43Å; E426-K429 PolarHBondContact O-N 3.42Å; K429-K431 PolarHBondContact O-N 2.86Å; K429-Q432 PolarHBondContact O-N 3.22Å |
| 430 | A | 91.1 | Very high | 91.1 | Very high | 95 Ų | 95 | 117 Ų | 117 | 79% | 0.785 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -21.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L428 | L428-A430 PolarHBondContact O-N 2.86Š|
| 431 | K | 91.1 | Very high | 91.5 | Very high | 180 Ų | 180 | 113.5 Ų | 113.5 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -13.3 | 179 | -60.1 | -177.5 | 180 | -178 | 0 | 112.9 | L428 K429 | L428-K431 PolarHBondContact O-N 2.66Å; K429-K431 PolarHBondContact O-N 2.86Å |
| 432 | Q | 90.9 | Very high | 92 | Very high | 135 Ų | 135 | 111.4 Ų | 111.4 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -89 | 153.9 | 176.8 | -69.9 | 177.3 | -20.5 | 0 | 0 | 110.2 | L428 K429 | L428-Q432 PolarHBondContact O-N 2.91Å; K429-Q432 PolarHBondContact O-N 3.22Å |
| 433 | L | 90.6 | Very high | 92.4 | Very high | 109 Ų | 109 | 111 Ų | 111 | 57% | 0.571 | 64% | 0.638 | S | S | * | * | trans | -74.2 | 141.8 | 175 | -63.7 | 174.5 | 0 | 0 | 0 | 110.4 | P437 F446 | L433-P437 HydrophobicContact CD1-CG 3.88Å; L433-F446 HydrophobicContact CD1-CD1 4.16Å; L433-F446 HydrophobicContact CD1-CE1 3.28Å; L433-F446 HydrophobicContact CD1-CE2 4.17Å; L433-F446 HydrophobicContact CD1-CZ 3.29Å | ||
| 434 | G | 92.3 | Very high | 92.7 | Very high | 90 Ų | 90 | 106.1 Ų | 106.1 | 93% | 0.928 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -73.5 | -26.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 435 | A | 93.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 103.4 Ų | 103.4 | 65% | 0.653 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -154.7 | 163.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P437 | A435-P437 WeakPolarHBondContact O-CD 3.32Š|
| 436 | V | 95.2 | Very high | 93.5 | Very high | 63 Ų | 63 | 100.7 Ų | 100.7 | 38% | 0.382 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 124.9 | 175.7 | -178 | 0 | 0 | 0 | 0 | 109.6 | F440 Q443 F446 | V436-F440 HydrophobicContact CG1-CB 3.75Å; V436-F440 WeakPolarHBondContact CG1-O 3.48Å; V436-Q443 HydrophobicContact CG2-CB 3.91Å; V436-F446 HydrophobicContact CG1-CB 4.3Å |
| 437 | P | 95.9 | Very high | 93.7 | Very high | 44 Ų | 44 | 97 Ų | 97 | 29% | 0.286 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 145.1 | 178.4 | -21 | 33.6 | 0 | 0 | 0 | 113.1 | L433 A435 F440 F446 | L433-P437 HydrophobicContact CD1-CG 3.88Å; A435-P437 WeakPolarHBondContact O-CD 3.32Å; P437-F440 PolarHBondContact O-N 2.87Å; P437-F446 HydrophobicContact CG-CD2 4.13Å; P437-F446 HydrophobicContact CG-CE2 3.96Å; P437-F446 HydrophobicContact CG-CZ 4.43Å |
| 438 | F | 95.4 | Very high | 94 | Very high | 198 Ų | 198 | 100 Ų | 100 | 87% | 0.868 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 136 | 162.5 | 176.8 | -93.8 | 0 | 0 | 0 | 109 | ||
| 439 | P | 94.4 | Very high | 94.2 | Very high | 95 Ų | 95 | 99.3 Ų | 99.3 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -98 | 12.9 | 14.8 | 38.3 | -36.5 | 0 | 0 | 0 | 115.5 | ||
| 440 | F | 96.8 | Very high | 94.3 | Very high | 73 Ų | 73 | 94.7 Ų | 94.7 | 32% | 0.32 | 55% | 0.554 | S | S | . | * | trans | -79.9 | 135.6 | -175 | -57.7 | -79.8 | 0 | 0 | 0 | 112 | V436 P437 A445 F446 S449 | V436-F440 HydrophobicContact CG1-CB 3.75Å; V436-F440 WeakPolarHBondContact CG1-O 3.48Å; P437-F440 PolarHBondContact O-N 2.87Å; F440-A445 HydrophobicContact CD1-CB 4.21Å; F440-F446 HydrophobicContact CB-CB 4.07Å; F440-F446 HydrophobicContact CD1-CB 4.4Å; F440-F446 HydrophobicContact CD2-CB 3.99Å; F440-F446 AromaticContact CD2-CD2 3.72Å; F440-F446 HydrophobicContact CD2-CD2 3.72Å; F440-F446 HydrophobicContact CD2-CG 4.34Å; F440-F446 AromaticContact CE2-CD2 3.77Å; F440-F446 HydrophobicContact CE2-CD2 3.77Å; F440-F446 HydrophobicContact CG-CB 3.89Å; F440-F446 HydrophobicContact CG-CD2 4.47Å; F440-S449 WeakPolarHBondContact CZ-OG 3.3Å | ||
| 441 | A | 95.2 | Very high | 94.5 | Very high | 111 Ų | 111 | 93.8 Ų | 93.8 | 92% | 0.917 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -90.2 | -22.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 442 | S | 96.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 91.2 Ų | 91.2 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -127.7 | 141.8 | -176.4 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | D444 A445 F446 | S442-D444 VanDerWaalsContact C-N 3.29Å; S442-D444 PolarHBondContact O-N 2.98Å; S442-D444 PolarHBondContact OG-N 2.77Å; S442-A445 WeakPolarHBondContact O-CB 3.22Å; S442-A445 PolarHBondContact O-N 3.09Å; S442-F446 PolarHBondContact O-N 3.34Å |
| 443 | Q | 95 | Very high | 94.8 | Very high | 117 Ų | 117 | 87.4 Ų | 87.4 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 174.1 | 177.7 | 178.7 | -6.2 | 0 | 0 | 111.4 | V436 A445 F446 E447 | V436-Q443 HydrophobicContact CG2-CB 3.91Å; Q443-A445 VanDerWaalsContact C-N 3.29Å; Q443-A445 PolarHBondContact O-N 3.11Å; Q443-F446 WeakPolarHBondContact O-CB 3.36Å; Q443-F446 PolarHBondContact O-N 3.44Å; Q443-F446 VanDerWaalsContact O-N 3.13Å; Q443-E447 HydrophobicContact CG-CG 4.24Å; Q443-E447 VanDerWaalsContact CG-OE1 3.32Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.46Å; Q443-E447 PolarHBondContact NE2-OE1 2.99Å; Q443-E447 WeakPolarHBondContact O-CG 3.39Å; Q443-E447 PolarHBondContact O-N 3.06Å |
| 444 | D | 96.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 87.1 Ų | 87.1 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -35.4 | -179.9 | 174.9 | 47 | 0 | 0 | 0 | 112 | S442 R448 | S442-D444 VanDerWaalsContact C-N 3.29Å; S442-D444 PolarHBondContact O-N 2.98Å; S442-D444 PolarHBondContact OG-N 2.77Å; D444-R448 VanDerWaalsContact CG-NH1 3.3Å; D444-R448 WeakPolarHBondContact O-CB 3.46Å; D444-R448 VanDerWaalsContact O-CG 3.31Å; D444-R448 WeakPolarHBondContact O-CG 3.35Å; D444-R448 PolarHBondContact O-N 3.23Å; D444-R448 IonicContact OD1-CZ 2.78Å; D444-R448 IonicContact OD1-NE 2.99Å; D444-R448 IonicContact OD1-NH1 2.71Å; D444-R448 IonicContact OD1-NH2 2.97Å; D444-R448 PolarHBondContact OD1-NH2 3.31Å; D444-R448 IonicContact OD2-CZ 3.12Å; D444-R448 IonicContact OD2-NH1 3.2Å; D444-R448 PolarHBondContact OD2-NH1 3.39Å; D444-R448 IonicContact OD2-NH2 2.69Å; D444-R448 PolarHBondContact OD2-NH2 3Å |
| 445 | A | 96.5 | Very high | 95.3 | Very high | 40 Ų | 40 | 83.6 Ų | 83.6 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F440 S442 Q443 S449 | F440-A445 HydrophobicContact CD1-CB 4.21Å; S442-A445 WeakPolarHBondContact O-CB 3.22Å; S442-A445 PolarHBondContact O-N 3.09Å; Q443-A445 VanDerWaalsContact C-N 3.29Å; Q443-A445 PolarHBondContact O-N 3.11Å; A445-S449 PolarHBondContact O-N 3.41Å |
| 446 | F | 96.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 86.3 Ų | 86.3 | 21% | 0.206 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64 | -49.5 | 174.8 | 167.8 | -100.4 | 0 | 0 | 0 | 111.3 | L433 V436 P437 F440 S442 Q443 R448 S449 A450 | L433-F446 HydrophobicContact CD1-CD1 4.16Å; L433-F446 HydrophobicContact CD1-CE1 3.28Å; L433-F446 HydrophobicContact CD1-CE2 4.17Å; L433-F446 HydrophobicContact CD1-CZ 3.29Å; V436-F446 HydrophobicContact CG1-CB 4.3Å; P437-F446 HydrophobicContact CG-CD2 4.13Å; P437-F446 HydrophobicContact CG-CE2 3.96Å; P437-F446 HydrophobicContact CG-CZ 4.43Å; F440-F446 HydrophobicContact CB-CB 4.07Å; F440-F446 HydrophobicContact CD1-CB 4.4Å; F440-F446 HydrophobicContact CD2-CB 3.99Å; F440-F446 AromaticContact CD2-CD2 3.72Å; F440-F446 HydrophobicContact CD2-CD2 3.72Å; F440-F446 HydrophobicContact CD2-CG 4.34Å; F440-F446 AromaticContact CE2-CD2 3.77Å; F440-F446 HydrophobicContact CE2-CD2 3.77Å; F440-F446 HydrophobicContact CG-CB 3.89Å; F440-F446 HydrophobicContact CG-CD2 4.47Å; S442-F446 PolarHBondContact O-N 3.34Å; Q443-F446 WeakPolarHBondContact O-CB 3.36Å; Q443-F446 PolarHBondContact O-N 3.44Å; Q443-F446 VanDerWaalsContact O-N 3.13Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.37Å; F446-S449 WeakPolarHBondContact O-CB 3.3Å; F446-S449 PolarHBondContact O-N 2.89Å; F446-S449 PolarHBondContact O-OG 3.04Å; F446-A450 HydrophobicContact CE1-CB 4.49Å; F446-A450 HydrophobicContact CE2-CB 4.49Å; F446-A450 HydrophobicContact CZ-CB 4.19Å; F446-A450 PolarHBondContact O-N 2.82Å |
| 447 | E | 95.4 | Very high | 95.5 | Very high | 97 Ų | 97 | 90.6 Ų | 90.6 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | -179.2 | -72.9 | -179.5 | -175.6 | 0 | 0 | 112 | Q443 S449 A450 S451 | Q443-E447 HydrophobicContact CG-CG 4.24Å; Q443-E447 VanDerWaalsContact CG-OE1 3.32Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.46Å; Q443-E447 PolarHBondContact NE2-OE1 2.99Å; Q443-E447 WeakPolarHBondContact O-CG 3.39Å; Q443-E447 PolarHBondContact O-N 3.06Å; E447-S449 PolarHBondContact O-N 3.21Å; E447-A450 CarbonylContact O-C 3.38Å; E447-A450 PolarHBondContact O-N 2.85Å; E447-S451 WeakPolarHBondContact O-CB 3.43Å; E447-S451 PolarHBondContact O-N 3.4Å |
| 448 | R | 95.8 | Very high | 95.6 | Very high | 156 Ų | 156 | 96.7 Ų | 96.7 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 171.5 | -75.9 | -172.1 | -171.5 | 107.4 | 13.8 | 112.4 | D444 F446 A450 S451 | D444-R448 VanDerWaalsContact CG-NH1 3.3Å; D444-R448 WeakPolarHBondContact O-CB 3.46Å; D444-R448 VanDerWaalsContact O-CG 3.31Å; D444-R448 WeakPolarHBondContact O-CG 3.35Å; D444-R448 PolarHBondContact O-N 3.23Å; D444-R448 IonicContact OD1-CZ 2.78Å; D444-R448 IonicContact OD1-NE 2.99Å; D444-R448 IonicContact OD1-NH1 2.71Å; D444-R448 IonicContact OD1-NH2 2.97Å; D444-R448 PolarHBondContact OD1-NH2 3.31Å; D444-R448 IonicContact OD2-CZ 3.12Å; D444-R448 IonicContact OD2-NH1 3.2Å; D444-R448 PolarHBondContact OD2-NH1 3.39Å; D444-R448 IonicContact OD2-NH2 2.69Å; D444-R448 PolarHBondContact OD2-NH2 3Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.37Å; R448-A450 VanDerWaalsContact C-N 3.31Å; R448-A450 PolarHBondContact O-N 2.98Å; R448-S451 PolarHBondContact O-N 3.35Å; R448-S451 PolarHBondContact O-OG 2.85Å |
| 449 | S | 94 | Very high | 95.6 | Very high | 66 Ų | 66 | 89.1 Ų | 89.1 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 178.5 | 76.9 | 0 | 0 | 0 | 0 | 112.8 | F440 A445 F446 E447 | F440-S449 WeakPolarHBondContact CZ-OG 3.3Å; A445-S449 PolarHBondContact O-N 3.41Å; F446-S449 WeakPolarHBondContact O-CB 3.3Å; F446-S449 PolarHBondContact O-N 2.89Å; F446-S449 PolarHBondContact O-OG 3.04Å; E447-S449 PolarHBondContact O-N 3.21Å |
| 450 | A | 93 | Very high | 95.8 | Very high | 62 Ų | 62 | 89.1 Ų | 89.1 | 51% | 0.512 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -89.2 | -5.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F446 E447 R448 N452 | F446-A450 HydrophobicContact CE1-CB 4.49Å; F446-A450 HydrophobicContact CE2-CB 4.49Å; F446-A450 HydrophobicContact CZ-CB 4.19Å; F446-A450 PolarHBondContact O-N 2.82Å; E447-A450 CarbonylContact O-C 3.38Å; E447-A450 PolarHBondContact O-N 2.85Å; R448-A450 VanDerWaalsContact C-N 3.31Å; R448-A450 PolarHBondContact O-N 2.98Å; A450-N452 VanDerWaalsContact C-N 3.31Å; A450-N452 PolarHBondContact O-N 3.22Å |
| 451 | S | 94.6 | Very high | 95.8 | Very high | 77 Ų | 77 | 88.9 Ų | 88.9 | 54% | 0.538 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -68.5 | -27.4 | -173.7 | 65.2 | 0 | 0 | 0 | 0 | 114 | E447 R448 | E447-S451 WeakPolarHBondContact O-CB 3.43Å; E447-S451 PolarHBondContact O-N 3.4Å; R448-S451 PolarHBondContact O-N 3.35Å; R448-S451 PolarHBondContact O-OG 2.85Å |
| 452 | N | 93.6 | Very high | 95.9 | Very high | 125 Ų | 125 | 90.6 Ų | 90.6 | 67% | 0.668 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -94.2 | 120.5 | -177.1 | -68.8 | -28.3 | 0 | 0 | 0 | 110.9 | A450 | A450-N452 VanDerWaalsContact C-N 3.31Å; A450-N452 PolarHBondContact O-N 3.22Å |
| 453 | P | 96.1 | Very high | 95.9 | Very high | 56 Ų | 56 | 89.4 Ų | 89.4 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | trans | -69.3 | 136.7 | 175.1 | 29.2 | -34.2 | 0 | 0 | 0 | 110.5 | W458 N459 | P453-W458 HydrophobicContact CB-CB 4.15Å; P453-W458 HydrophobicContact CB-CD2 3.69Å; P453-W458 HydrophobicContact CB-CE3 3.8Å; P453-W458 HydrophobicContact CB-CG 3.87Å; P453-W458 HydrophobicContact CB-CZ3 4.46Å; P453-W458 HydrophobicContact CG-CB 3.56Å; P453-W458 HydrophobicContact CG-CD2 3.86Å; P453-W458 HydrophobicContact CG-CE3 4.41Å; P453-W458 HydrophobicContact CG-CG 3.46Å; P453-W458 VanDerWaalsContact CG-CG 3.46Å; P453-N459 PolarHBondContact O-ND2 3.25Å | ||
| 454 | I | 95.7 | Very high | 96.1 | Very high | 102 Ų | 102 | 85.9 Ų | 85.9 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | trans | -93.2 | -5.4 | -179.7 | 60.3 | 173 | 0 | 0 | 0 | 113.8 | H464 L467 | I454-H464 PolarHBondContact O-CD2 2.98Å; I454-L467 HydrophobicContact CG2-CB 4.46Å; I454-L467 HydrophobicContact CG2-CD1 4.48Å | ||
| 455 | G | 96.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 85.2 Ų | 85.2 | 18% | 0.175 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -69.8 | 161.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E457 W458 N459 H464 | G455-E457 PolarHBondContact O-N 2.81Å; G455-W458 PolarHBondContact O-N 2.95Å; G455-N459 PolarHBondContact O-N 3.03Å; G455-N459 PolarHBondContact O-ND2 2.79Å; G455-H464 VanDerWaalsContact C-CD2 3.46Å |
| 456 | K | 96.8 | Very high | 96.1 | Very high | 136 Ų | 136 | 87.3 Ų | 87.3 | 59% | 0.591 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21.8 | -175.5 | -174 | -179.3 | 176 | -175.7 | 0 | 112.5 | W458 H464 | K456-W458 VanDerWaalsContact C-N 3.33Å; K456-H464 PolarHBondContact N-CD2 3.09Å |
| 457 | E | 97.1 | Very high | 96 | Very high | 152 Ų | 152 | 89.6 Ų | 89.6 | 71% | 0.71 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -26.4 | -179 | -61.4 | 68.4 | -149.1 | 0 | 0 | 112.1 | G455 | G455-E457 PolarHBondContact O-N 2.81Š|
| 458 | W | 96.8 | Very high | 96 | Very high | 172 Ų | 172 | 89.4 Ų | 89.4 | 65% | 0.652 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -20.1 | -177.4 | -59.7 | -83.2 | 0 | 0 | 0 | 113.6 | P453 G455 K456 | P453-W458 HydrophobicContact CB-CB 4.15Å; P453-W458 HydrophobicContact CB-CD2 3.69Å; P453-W458 HydrophobicContact CB-CE3 3.8Å; P453-W458 HydrophobicContact CB-CG 3.87Å; P453-W458 HydrophobicContact CB-CZ3 4.46Å; P453-W458 HydrophobicContact CG-CB 3.56Å; P453-W458 HydrophobicContact CG-CD2 3.86Å; P453-W458 HydrophobicContact CG-CE3 4.41Å; P453-W458 HydrophobicContact CG-CG 3.46Å; P453-W458 VanDerWaalsContact CG-CG 3.46Å; G455-W458 PolarHBondContact O-N 2.95Å; K456-W458 VanDerWaalsContact C-N 3.33Å |
| 459 | N | 96.8 | Very high | 96 | Very high | 40 Ų | 40 | 85.1 Ų | 85.1 | 21% | 0.214 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -120.6 | 144.7 | -176.9 | -63.3 | -51.7 | 0 | 0 | 0 | 111.8 | P453 G455 A463 H464 L467 | P453-N459 PolarHBondContact O-ND2 3.25Å; G455-N459 PolarHBondContact O-N 3.03Å; G455-N459 PolarHBondContact O-ND2 2.79Å; N459-A463 HydrophobicContact CB-CB 4.27Å; N459-H464 HydrophobicContact CB-CB 4.37Å; N459-L467 WeakPolarHBondContact ND2-CD1 3.44Å |
| 460 | P | 98.1 | Very high | 96.1 | Very high | 95 Ų | 95 | 85.7 Ų | 85.7 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | trans | -60.9 | 151.9 | 170.3 | 23.3 | -29.5 | 0 | 0 | 0 | 110.9 | M462 A463 H464 | P460-M462 VanDerWaalsContact C-N 3.26Å; P460-M462 PolarHBondContact O-N 3.37Å; P460-M462 VanDerWaalsContact O-N 3.1Å; P460-A463 HydrophobicContact CG-CB 3.82Å; P460-A463 WeakPolarHBondContact O-CA 3.33Å; P460-A463 WeakPolarHBondContact O-CB 3.47Å; P460-A463 PolarHBondContact O-N 3.17Å; P460-H464 PolarHBondContact O-N 3.46Å | ||
| 461 | A | 96.4 | Very high | 96.3 | Very high | 67 Ų | 67 | 86 Ų | 86 | 55% | 0.554 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -52.9 | -40.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | S465 | A461-S465 WeakPolarHBondContact O-CB 3.01Å; A461-S465 PolarHBondContact O-N 2.77Å |
| 462 | M | 97.1 | Very high | 96.3 | Very high | 148 Ų | 148 | 86.2 Ų | 86.2 | 73% | 0.729 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.2 | -44.1 | 175.9 | -68.7 | -63.4 | -66.8 | 0 | 0 | 112.2 | P460 S465 L466 | P460-M462 VanDerWaalsContact C-N 3.26Å; P460-M462 PolarHBondContact O-N 3.37Å; P460-M462 VanDerWaalsContact O-N 3.1Å; M462-S465 PolarHBondContact O-N 3.12Å; M462-L466 WeakPolarHBondContact O-CG 3.16Å; M462-L466 PolarHBondContact O-N 3.02Å |
| 463 | A | 97.3 | Very high | 96.4 | Very high | 33 Ų | 33 | 82 Ų | 82 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N459 P460 S465 L466 L467 | N459-A463 HydrophobicContact CB-CB 4.27Å; P460-A463 HydrophobicContact CG-CB 3.82Å; P460-A463 WeakPolarHBondContact O-CA 3.33Å; P460-A463 WeakPolarHBondContact O-CB 3.47Å; P460-A463 PolarHBondContact O-N 3.17Å; A463-S465 PolarHBondContact O-N 3.49Å; A463-L466 PolarHBondContact O-N 2.9Å; A463-L467 WeakPolarHBondContact O-CB 3.14Å; A463-L467 VanDerWaalsContact O-CG 3.27Å; A463-L467 WeakPolarHBondContact O-CG 3.46Å; A463-L467 PolarHBondContact O-N 3.24Å |
| 464 | H | 98 | Very high | 96.3 | Very high | 44 Ų | 44 | 83 Ų | 83 | 20% | 0.204 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -56.1 | -50.6 | 172.5 | 175.4 | -90.8 | 0 | 0 | 0 | 110.9 | I454 G455 K456 N459 P460 L466 L467 I468 | I454-H464 PolarHBondContact O-CD2 2.98Å; G455-H464 VanDerWaalsContact C-CD2 3.46Å; K456-H464 PolarHBondContact N-CD2 3.09Å; N459-H464 HydrophobicContact CB-CB 4.37Å; P460-H464 PolarHBondContact O-N 3.46Å; H464-L466 VanDerWaalsContact C-N 3.32Å; H464-L466 PolarHBondContact O-N 2.76Å; H464-L467 PolarHBondContact O-N 2.75Å; H464-L467 VanDerWaalsContact O-N 3.15Å; H464-I468 WeakPolarHBondContact O-CG1 3.47Å; H464-I468 PolarHBondContact O-N 3.35Å; H464-I468 VanDerWaalsContact O-N 3.09Å |
| 465 | S | 97 | Very high | 96.2 | Very high | 57 Ų | 57 | 83.1 Ų | 83.1 | 40% | 0.399 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -53.8 | -48.8 | 177.2 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | A461 M462 A463 L467 I468 E469 | A461-S465 WeakPolarHBondContact O-CB 3.01Å; A461-S465 PolarHBondContact O-N 2.77Å; M462-S465 PolarHBondContact O-N 3.12Å; A463-S465 PolarHBondContact O-N 3.49Å; S465-L467 PolarHBondContact O-N 3.41Å; S465-I468 WeakPolarHBondContact O-CG1 3.47Å; S465-I468 PolarHBondContact O-N 2.93Å; S465-E469 WeakPolarHBondContact O-CG 3.46Å; S465-E469 PolarHBondContact O-N 3.49Å |
| 466 | L | 95.4 | Very high | 96 | Very high | 84 Ų | 84 | 90.9 Ų | 90.9 | 44% | 0.44 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 179 | -68.5 | 169.7 | 0 | 0 | 0 | 112.8 | R104 M462 A463 H464 | R104-L466 PolarHBondContact NH2-O 3.16Å; M462-L466 WeakPolarHBondContact O-CG 3.16Å; M462-L466 PolarHBondContact O-N 3.02Å; A463-L466 PolarHBondContact O-N 2.9Å; H464-L466 VanDerWaalsContact C-N 3.32Å; H464-L466 PolarHBondContact O-N 2.76Å |
| 467 | L | 95 | Very high | 95.6 | Very high | 95 Ų | 95 | 88.7 Ų | 88.7 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.3 | -30.6 | -178.6 | -73.3 | 169.3 | 0 | 0 | 0 | 112.9 | I454 N459 A463 H464 S465 | I454-L467 HydrophobicContact CG2-CB 4.46Å; I454-L467 HydrophobicContact CG2-CD1 4.48Å; N459-L467 WeakPolarHBondContact ND2-CD1 3.44Å; A463-L467 WeakPolarHBondContact O-CB 3.14Å; A463-L467 VanDerWaalsContact O-CG 3.27Å; A463-L467 WeakPolarHBondContact O-CG 3.46Å; A463-L467 PolarHBondContact O-N 3.24Å; H464-L467 PolarHBondContact O-N 2.75Å; H464-L467 VanDerWaalsContact O-N 3.15Å; S465-L467 PolarHBondContact O-N 3.41Å |
| 468 | I | 95.8 | Very high | 95.2 | Very high | 94 Ų | 94 | 85.9 Ų | 85.9 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -92.5 | -4.4 | -179.8 | 69.9 | 165.1 | 0 | 0 | 0 | 113.5 | H464 S465 | H464-I468 WeakPolarHBondContact O-CG1 3.47Å; H464-I468 PolarHBondContact O-N 3.35Å; H464-I468 VanDerWaalsContact O-N 3.09Å; S465-I468 WeakPolarHBondContact O-CG1 3.47Å; S465-I468 PolarHBondContact O-N 2.93Å |
| 469 | E | 95.4 | Very high | 94.9 | Very high | 66 Ų | 66 | 84.1 Ų | 84.1 | 31% | 0.308 | 49% | 0.493 | S | S | . | . | trans | -64 | 130.8 | 180 | -92.8 | 173 | -125.6 | 0 | 0 | 111.1 | R104 S465 | R104-E469 IonicContact CZ-OE2 3.54Å; R104-E469 IonicContact NE-OE2 2.77Å; R104-E469 VanDerWaalsContact NH1-CD 3.3Å; R104-E469 IonicContact NH1-OE1 3.72Å; R104-E469 IonicContact NH1-OE2 2.8Å; R104-E469 PolarHBondContact NH1-OE2 3.25Å; S465-E469 WeakPolarHBondContact O-CG 3.46Å; S465-E469 PolarHBondContact O-N 3.49Å | ||
| 470 | P | 96.5 | Very high | 94.6 | Very high | 77 Ų | 77 | 86.5 Ų | 86.5 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | trans | -71.2 | 151.1 | -178.3 | 30.6 | -35.5 | 0 | 0 | 0 | 111.1 | V472 | P470-V472 PolarHBondContact O-N 3.19Š| ||
| 471 | S | 95.6 | Very high | 94.3 | Very high | 70 Ų | 70 | 90.3 Ų | 90.3 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -65.2 | -27.6 | 175 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | D103 R104 I105 | D103-S471 PolarHBondContact O-OG 2.99Å; D103-S471 VanDerWaalsContact O-OG 3.06Å; R104-S471 CarbonylContact C-O 3.59Å; R104-S471 VanDerWaalsContact CA-O 3.31Å; R104-S471 WeakPolarHBondContact CA-O 3.44Å; I105-S471 PolarHBondContact N-O 3.01Å |
| 472 | V | 96 | Very high | 94.2 | Very high | 81 Ų | 81 | 92.5 Ų | 92.5 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 109 | I105 F107 P470 | I105-V472 WeakPolarHBondContact O-CA 3.25Å; F107-V472 HydrophobicContact CD2-CG1 4.06Å; F107-V472 HydrophobicContact CE2-CG1 3.97Å; P470-V472 PolarHBondContact O-N 3.19Å |
| 473 | S | 95 | Very high | 93.8 | Very high | 37 Ų | 37 | 87.2 Ų | 87.2 | 26% | 0.259 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141.3 | 172.6 | 77.8 | 0 | 0 | 0 | 0 | 111 | I105 H106 F107 | I105-S473 PolarHBondContact O-N 3.21Å; H106-S473 CarbonylContact C-O 3.27Å; H106-S473 WeakPolarHBondContact CA-O 3.46Å; H106-S473 PolarHBondContact ND1-OG 3.49Å; F107-S473 PolarHBondContact N-O 2.9Å |
| 474 | T | 94.7 | Very high | 93.5 | Very high | 75 Ų | 75 | 90.1 Ų | 90.1 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.9 | -178.3 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | F107 I480 | F107-T474 HydrophobicContact CB-CG2 4.21Å; F107-T474 HydrophobicContact CD2-CG2 4.29Å; T474-I480 HydrophobicContact CG2-CD1 3.64Å |
| 475 | E | 92.2 | Very high | 93 | Very high | 106 Ų | 106 | 96.2 Ų | 96.2 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | trans | -72.9 | 134.6 | 170.6 | -66.5 | -168.1 | 170.3 | 0 | 0 | 111.2 | F107 | F107-E475 PolarHBondContact O-N 3.29Š| ||
| 476 | M | 92.5 | Very high | 92.5 | Very high | 179 Ų | 179 | 97 Ų | 97 | 88% | 0.882 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 134.5 | -179.3 | -65.8 | -62.6 | -66.6 | 0 | 0 | 110.5 | E478 | M476-E478 VanDerWaalsContact C-N 3.31Š|
| 477 | G | 89.5 | Confident | 91.9 | Very high | 90 Ų | 90 | 95.4 Ų | 95.4 | 93% | 0.928 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -8.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 478 | E | 88.1 | Confident | 91.4 | Very high | 94 Ų | 94 | 92.1 Ų | 92.1 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -99.8 | 139.9 | 173.9 | -170.2 | 157.1 | 178.2 | 0 | 0 | 111.9 | P108 M476 I480 | P108-E478 HydrophobicContact CG-CG 4.31Å; M476-E478 VanDerWaalsContact C-N 3.31Å; E478-I480 PolarHBondContact O-N 3.04Å |
| 479 | I | 90.6 | Very high | 90.4 | Very high | 135 Ų | 135 | 91.3 Ų | 91.3 | 69% | 0.692 | 51% | 0.508 | S | S | * | . | trans | -77.7 | 124 | 179.8 | -62.5 | 167.9 | 0 | 0 | 0 | 109.2 | R481 | I479-R481 PolarHBondContact O-N 3.32Š| ||
| 480 | I | 91.4 | Very high | 88.9 | Confident | 89 Ų | 89 | 97.2 Ų | 97.2 | 46% | 0.456 | 53% | 0.533 | S | S | . | . | trans | -73.4 | 99.6 | 173.6 | -54.1 | 176.9 | 0 | 0 | 0 | 109.3 | F107 T474 E478 | F107-I480 HydrophobicContact CB-CD1 4.18Å; F107-I480 HydrophobicContact CB-CG1 4.16Å; F107-I480 HydrophobicContact CB-CG2 4.27Å; F107-I480 HydrophobicContact CD1-CG2 3.5Å; F107-I480 HydrophobicContact CE1-CG2 4Å; F107-I480 HydrophobicContact CG-CD1 4.44Å; F107-I480 HydrophobicContact CG-CG2 3.99Å; T474-I480 HydrophobicContact CG2-CD1 3.64Å; E478-I480 PolarHBondContact O-N 3.04Å | ||
| 481 | R | 91.5 | Very high | 86.8 | Confident | 175 Ų | 175 | 97.9 Ų | 97.9 | 66% | 0.66 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 147.9 | 176.5 | -66.9 | -176 | -179.6 | -179.6 | 1.8 | 111.3 | I479 | I479-R481 PolarHBondContact O-N 3.32Š|
| 482 | P | 93 | Very high | 84.1 | Confident | 114 Ų | 114 | 97 Ų | 97 | 74% | 0.74 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 151.6 | 169.8 | 28.1 | -34.2 | 0 | 0 | 0 | 110 | D484 | P482-D484 PolarHBondContact O-N 2.79Š|
| 483 | A | 89.7 | Confident | 81.4 | Confident | 37 Ų | 37 | 102.9 Ų | 102.9 | 31% | 0.306 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 126.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | W92 F95 L109 L487 | W92-A483 HydrophobicContact CH2-CB 4.04Å; W92-A483 WeakPolarHBondContact CH2-O 3.38Å; W92-A483 HydrophobicContact CZ3-CB 3.74Å; F95-A483 HydrophobicContact CE1-CB 3.96Å; F95-A483 HydrophobicContact CZ-CB 4.11Å; L109-A483 HydrophobicContact CD1-CB 4.45Å; A483-L487 HydrophobicContact CB-CD1 3.79Å |
| 484 | D | 89.9 | Confident | 79 | Confident | 93 Ų | 93 | 108 Ų | 108 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -98.2 | 162.2 | 172.8 | -167 | 13.5 | 0 | 0 | 0 | 110.6 | W92 P482 S486 L487 | W92-D484 WeakPolarHBondContact CH2-O 3.25Å; P482-D484 PolarHBondContact O-N 2.79Å; D484-S486 PolarHBondContact O-N 2.91Å; D484-L487 WeakPolarHBondContact O-CB 3.42Å; D484-L487 PolarHBondContact O-N 3.42Å |
| 485 | R | 88.3 | Confident | 76.2 | Confident | 172 Ų | 172 | 112.6 Ų | 112.6 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -57.2 | -17.7 | 178.2 | -68.5 | -176.9 | 173.8 | -169.8 | -4.9 | 113.3 | W92 L487 L488 | W92-R485 HydrophobicContact CZ2-CG 4.08Å; R485-L487 PolarHBondContact O-N 3.23Å; R485-L488 HydrophobicContact CG-CD1 4.47Å; R485-L488 WeakPolarHBondContact O-CB 3.47Å; R485-L488 PolarHBondContact O-N 3.34Å; R485-L488 VanDerWaalsContact O-N 3.14Å |
| 486 | S | 85.5 | Confident | 73.9 | Confident | 75 Ų | 75 | 116.3 Ų | 116.3 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -60.3 | -24.4 | 172.6 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | Q110 D484 | Q110-S486 PolarHBondContact NE2-OG 2.79Å; D484-S486 PolarHBondContact O-N 2.91Å |
| 487 | L | 83.4 | Confident | 71.3 | Confident | 49 Ų | 49 | 111.2 Ų | 111.2 | 26% | 0.257 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -82.2 | -15.2 | 177.3 | -62.2 | 177.2 | 0 | 0 | 0 | 113.2 | F95 L109 Q110 A483 D484 R485 | F95-L487 HydrophobicContact CD2-CB 4.42Å; F95-L487 HydrophobicContact CE2-CB 3.98Å; F95-L487 HydrophobicContact CE2-CD1 4.21Å; F95-L487 HydrophobicContact CZ-CD1 4.1Å; L109-L487 HydrophobicContact CB-CD1 3.94Å; L109-L487 HydrophobicContact CD1-CD1 4.07Å; Q110-L487 HydrophobicContact CG-CD1 4.33Å; Q110-L487 HydrophobicContact CG-CD2 3.88Å; Q110-L487 HydrophobicContact CG-CG 4.2Å; A483-L487 HydrophobicContact CB-CD1 3.79Å; D484-L487 WeakPolarHBondContact O-CB 3.42Å; D484-L487 PolarHBondContact O-N 3.42Å; R485-L487 PolarHBondContact O-N 3.23Å |
| 488 | L | 84.5 | Confident | 69.1 | Low | 27 Ų | 27 | 116.1 Ų | 116.1 | 14% | 0.141 | 60% | 0.599 | C | S | . | * | S | Bend | trans | -75 | 140.3 | 175.9 | -62.6 | 178.6 | 0 | 0 | 0 | 109.7 | D91 W92 F95 R485 K490 | D91-L488 HydrophobicContact CB-CD1 4.34Å; D91-L488 WeakPolarHBondContact O-CD2 3.45Å; W92-L488 HydrophobicContact CD2-CD1 4.14Å; W92-L488 HydrophobicContact CD2-CD2 3.86Å; W92-L488 HydrophobicContact CD2-CG 4.35Å; W92-L488 HydrophobicContact CE3-CD2 3.63Å; W92-L488 HydrophobicContact CE3-CG 4.29Å; W92-L488 HydrophobicContact CG-CD2 4.39Å; W92-L488 HydrophobicContact CH2-CD1 4.47Å; W92-L488 HydrophobicContact CH2-CD2 4.45Å; W92-L488 HydrophobicContact CH2-CG 4.26Å; W92-L488 HydrophobicContact CZ2-CD1 4.01Å; W92-L488 HydrophobicContact CZ2-CG 4.3Å; W92-L488 HydrophobicContact CZ3-CD2 3.94Å; W92-L488 HydrophobicContact CZ3-CG 4.23Å; F95-L488 HydrophobicContact CB-CD2 3.84Å; F95-L488 HydrophobicContact CG-CD2 4.42Å; R485-L488 HydrophobicContact CG-CD1 4.47Å; R485-L488 WeakPolarHBondContact O-CB 3.47Å; R485-L488 PolarHBondContact O-N 3.34Å; R485-L488 VanDerWaalsContact O-N 3.14Å; L488-K490 PolarHBondContact O-N 2.95Å |
| 489 | P | 74.5 | Confident | 66.7 | Low | 76 Ų | 76 | 116.8 Ų | 116.8 | 49% | 0.494 | 61% | 0.606 | S | S | . | * | trans | -59.2 | 115.2 | 174.5 | 23.7 | -31.1 | 0 | 0 | 0 | 109.2 | G491 | P489-G491 PolarHBondContact O-N 3.42Š| ||
| 490 | K | 64.5 | Low | 64.4 | Low | 191 Ų | 191 | 120.3 Ų | 120.3 | 83% | 0.83 | 62% | 0.616 | S | S | * | * | trans | -55 | 129.1 | 173.2 | -65.3 | -178.1 | -178.5 | 177.7 | 0 | 107.5 | L488 G492 | L488-K490 PolarHBondContact O-N 2.95Å; K490-G492 PolarHBondContact O-N 3.04Å | ||
| 491 | G | 51.5 | Low | 62.1 | Low | 90 Ų | 90 | 122 Ų | 122 | 93% | 0.928 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -58.3 | 41.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | P489 | P489-G491 PolarHBondContact O-N 3.42Š|
| 492 | G | 40 | Very low | 59.5 | Low | 53 Ų | 53 | 122.2 Ų | 122.2 | 55% | 0.546 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -77.1 | 130.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | K490 Q494 | K490-G492 PolarHBondContact O-N 3.04Å; G492-Q494 PolarHBondContact O-N 2.86Å |
| 493 | K | 39.2 | Very low | 57.1 | Low | 204 Ų | 204 | 121.9 Ų | 121.9 | 89% | 0.887 | 63% | 0.633 | S | S | * | * | trans | -50.8 | 93.7 | 167.4 | -62.3 | 171.7 | -177.8 | 175.4 | 0 | 107.8 | Q495 | K493-Q495 PolarHBondContact O-N 2.78Š| ||
| 494 | Q | 44.5 | Very low | 54.6 | Low | 144 Ų | 144 | 132.3 Ų | 132.3 | 67% | 0.673 | 66% | 0.664 | S | S | * | * | trans | -67 | 94.5 | 159.4 | -76 | -170.2 | 2.6 | 0 | 0 | 103.5 | G492 Y496 | G492-Q494 PolarHBondContact O-N 2.86Å; Q494-Y496 PolarHBondContact O-N 3.1Å | ||
| 495 | Q | 36.9 | Very low | 52.3 | Low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | trans | -54.2 | 105.5 | 158.6 | -68.9 | -166.7 | -17.4 | 0 | 0 | 104.2 | K493 S497 | K493-Q495 PolarHBondContact O-N 2.78Å; Q495-S497 PolarHBondContact O-N 3.4Å | ||
| 496 | Y | 42.4 | Very low | 50.1 | Low | 184 Ų | 184 | 136.4 Ų | 136.4 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | trans | -57.7 | 87.2 | 152.1 | -95 | -89.4 | 0 | 0 | 0 | 104.9 | Q494 K498 | Q494-Y496 PolarHBondContact O-N 3.1Å; Y496-K498 PolarHBondContact O-N 2.97Å | ||
| 497 | S | 37.6 | Very low | 48.1 | Very low | 72 Ų | 72 | 145.3 Ų | 145.3 | 50% | 0.503 | 71% | 0.706 | S | S | . | * | trans | -60 | 110.7 | 164.4 | 59.8 | 0 | 0 | 0 | 0 | 104.3 | Q495 D499 | Q495-S497 PolarHBondContact O-N 3.4Å; S497-D499 PolarHBondContact O-N 2.88Å | ||
| 498 | K | 44.5 | Very low | 46.4 | Very low | 194 Ų | 194 | 151.6 Ų | 151.6 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 33.8 | 165.8 | -86.9 | 179.8 | 170.6 | 175.6 | 0 | 111.6 | Y496 | Y496-K498 PolarHBondContact O-N 2.97Š|
| 499 | D | 38.4 | Very low | 44.6 | Very low | 107 Ų | 107 | 155.4 Ų | 155.4 | 57% | 0.572 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 5.3 | -169.5 | -68.8 | -32.5 | 0 | 0 | 0 | 113.3 | S497 T501 | S497-D499 PolarHBondContact O-N 2.88Å; D499-T501 PolarHBondContact O-N 3.17Å; D499-T501 VanDerWaalsContact O-N 3.1Å |
| 500 | F | 41.4 | Very low | 43.2 | Very low | 209 Ų | 209 | 162.1 Ų | 162.1 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 37.6 | 169.3 | -120 | -87 | 0 | 0 | 0 | 113.1 | ||
| 501 | T | 42.3 | Very low | 42.2 | Very low | 126 Ų | 126 | 160.5 Ų | 160.5 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.9 | 47.1 | 160.4 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | D499 | D499-T501 PolarHBondContact O-N 3.17Å; D499-T501 VanDerWaalsContact O-N 3.1Å |
| 502 | K | 37.4 | Very low | 41.9 | Very low | 179 Ų | 179 | 167.1 Ų | 167.1 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | trans | -113.1 | 85.2 | 155.6 | -82.9 | -177.8 | -179 | 168.5 | 0 | 108.9 | R504 | K502-R504 PolarHBondContact O-N 3.12Š| ||
| 503 | T | 43.1 | Very low | 42.5 | Very low | 106 Ų | 106 | 170.8 Ų | 170.8 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -47.8 | 128 | 150.9 | 46 | 0 | 0 | 0 | 0 | 107.9 | R505 | T503-R505 VanDerWaalsContact C-N 3.32Å; T503-R505 PolarHBondContact O-N 3.11Å | ||
| 504 | R | 37.7 | Very low | 43 | Very low | 256 Ų | 256 | 169 Ų | 169 | 97% | 0.966 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -38 | 88.7 | 169.5 | -174.2 | 179.7 | 172.6 | -174.3 | -2.5 | 111.1 | K502 | K502-R504 PolarHBondContact O-N 3.12Š|
| 505 | R | 41.7 | Very low | 43.4 | Very low | 207 Ų | 207 | 170.6 Ų | 170.6 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -139.2 | 124.4 | 169.3 | -70.1 | -173.4 | -174.4 | 158.5 | 2 | 108.1 | T503 | T503-R505 VanDerWaalsContact C-N 3.32Å; T503-R505 PolarHBondContact O-N 3.11Å | ||
| 506 | D | 42 | Very low | 43.9 | Very low | 144 Ų | 144 | 174.4 Ų | 174.4 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 69.1 | 79.1 | 162.8 | -51.9 | -34.5 | 0 | 0 | 0 | 118.7 | K508 | D506-K508 VanDerWaalsContact C-N 3.33Š| ||
| 507 | R | 42.6 | Very low | 44.1 | Very low | 262 Ų | 262 | 177 Ų | 177 | 99% | 0.989 | 81% | 0.81 | S | S | * | * | trans | -87.9 | 77.8 | 141.3 | -78.1 | -174.8 | 177.6 | 176.9 | -0.4 | 108.3 | ||||
| 508 | K | 47.6 | Very low | 44.7 | Very low | 181 Ų | 181 | 183.3 Ų | 183.3 | 79% | 0.787 | 83% | 0.828 | S | S | * | * | trans | -107.1 | 105.6 | 163.5 | -114.9 | 177.5 | -179.9 | 174.6 | 0 | 108.6 | D506 | D506-K508 VanDerWaalsContact C-N 3.33Š| ||
| 509 | T | 47.4 | Very low | 44.9 | Very low | 108 Ų | 108 | 187.5 Ų | 187.5 | 66% | 0.663 | 85% | 0.847 | S | S | * | * | trans | 27.8 | 110.3 | 141.7 | 40.9 | 0 | 0 | 0 | 0 | 117.9 | L511 | T509-L511 PolarHBondContact O-N 3.33Š| ||
| 510 | K | 44.6 | Very low | 45.2 | Very low | 217 Ų | 217 | 191.5 Ų | 191.5 | 94% | 0.943 | 86% | 0.86 | S | S | * | * | trans | -68.4 | 92.3 | 155.7 | -73 | -177.9 | 176.9 | 179 | 0 | 108.8 | ||||
| 511 | L | 44.6 | Very low | 45.4 | Very low | 156 Ų | 156 | 190.6 Ų | 190.6 | 82% | 0.817 | 86% | 0.857 | S | S | * | * | trans | -94.4 | 127.7 | 160.4 | -77.3 | 163.3 | 0 | 0 | 0 | 108.9 | T509 | T509-L511 PolarHBondContact O-N 3.33Š| ||
| 512 | R | 44.2 | Very low | 45.6 | Very low | 230 Ų | 230 | 194.2 Ų | 194.2 | 87% | 0.868 | 86% | 0.862 | S | S | * | * | trans | -61.3 | 143.8 | 174.8 | -70.2 | 178.2 | -178 | -136.3 | 2.3 | 109.9 | L514 | R512-L514 PolarHBondContact O-N 3.35Š| ||
| 513 | P | 51.6 | Low | 46 | Very low | 130 Ų | 130 | 195.1 Ų | 195.1 | 84% | 0.844 | 87% | 0.867 | S | S | * | * | trans | -70.8 | 109.3 | 165.6 | -10.3 | 26.1 | 0 | 0 | 0 | 109.2 | ||||
| 514 | L | 50 | Low | 46.2 | Very low | 166 Ų | 166 | 200.6 Ų | 200.6 | 87% | 0.869 | 88% | 0.88 | S | S | * | * | trans | -81.5 | 119.6 | 161.5 | -96.6 | 147.8 | 0 | 0 | 0 | 107.7 | R512 R516 | R512-L514 PolarHBondContact O-N 3.35Å; L514-R516 PolarHBondContact O-N 2.99Å | ||
| 515 | E | 52.8 | Low | 46.8 | Very low | 177 Ų | 177 | 196.9 Ų | 196.9 | 83% | 0.827 | 88% | 0.875 | S | S | * | * | trans | -53.9 | 124.1 | 175.8 | -66.9 | 179.9 | 142 | 0 | 0 | 111.3 | R517 | E515-R517 PolarHBondContact O-N 3.5Å; E515-R517 VanDerWaalsContact O-N 3.08Å | ||
| 516 | R | 48.8 | Very low | 47.2 | Very low | 251 Ų | 251 | 196.2 Ų | 196.2 | 95% | 0.947 | 88% | 0.881 | S | S | * | * | trans | -68.8 | 100.9 | 165.7 | -67.4 | 176.5 | 108 | 178.7 | 4.5 | 108.3 | L514 K518 | L514-R516 PolarHBondContact O-N 2.99Å; R516-K518 PolarHBondContact O-N 2.87Å | ||
| 517 | R | 46.3 | Very low | 47.6 | Very low | 238 Ų | 238 | 200.2 Ų | 200.2 | 90% | 0.898 | 89% | 0.89 | S | S | * | * | trans | -73 | 120.9 | 161.4 | -70.4 | -179.2 | 90.8 | 169.7 | 6 | 108.3 | E515 | E515-R517 PolarHBondContact O-N 3.5Å; E515-R517 VanDerWaalsContact O-N 3.08Å | ||
| 518 | K | 49 | Very low | 48 | Very low | 205 Ų | 205 | 195.1 Ų | 195.1 | 89% | 0.891 | 88% | 0.882 | S | S | * | * | trans | -49.8 | 133.6 | 165.2 | -72.1 | 171 | 166.7 | 177 | 0 | 111 | R516 | R516-K518 PolarHBondContact O-N 2.87Š| ||
| 519 | K | 48.9 | Very low | 48 | Very low | 282 Ų | 282 | 196.4 Ų | 196.4 | 100% | 1.226 | 89% | 0.89 | S | S | * | * | trans | -137.5 | 0 | 136.2 | -105.3 | -172.6 | 178 | -177 | 0 | 107.4 |
Retrieved 519 of 519 residues in 379.7 ms
(Link to these results)