| 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 | 35.4 | Very low | 38 | Very low | 228 Ų | 228 | 157.5 Ų | 157.5 | 100% | 1.123 | 84% | 0.836 | S | S | * | * | 0 | 148.9 | 0 | -100.4 | -170 | 170.7 | 0 | 0 | 108.4 | |||||
| 2 | M | 32.1 | Very low | 38.6 | Very low | 172 Ų | 172 | 164.9 Ų | 164.9 | 85% | 0.847 | 84% | 0.844 | S | S | * | * | trans | 61.7 | 175 | 171 | -52.5 | -44.9 | -178.3 | 0 | 0 | 117.2 | ||||
| 3 | S | 37.5 | Very low | 38.4 | Very low | 106 Ų | 106 | 161.8 Ų | 161.8 | 74% | 0.741 | 84% | 0.841 | S | S | * | * | trans | -146 | 176.7 | -141.1 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 4 | E | 37.3 | Very low | 38.1 | Very low | 201 Ų | 201 | 168.1 Ų | 168.1 | 94% | 0.939 | 85% | 0.848 | S | S | * | * | trans | 76.3 | 159.4 | 160.1 | -57.2 | -167.6 | 116.3 | 0 | 0 | 120.2 | ||||
| 5 | G | 36.3 | Very low | 37.8 | Very low | 78 Ų | 78 | 173.7 Ų | 173.7 | 80% | 0.804 | 86% | 0.855 | S | S | * | * | trans | 108.1 | 99.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 6 | K | 41.7 | Very low | 37.6 | Very low | 205 Ų | 205 | 169.9 Ų | 169.9 | 89% | 0.891 | 85% | 0.852 | S | S | * | * | trans | -96.8 | 151.1 | 165.9 | -77.9 | -176.3 | 178.7 | 176 | 0 | 111.5 | ||||
| 7 | P | 43.8 | Very low | 37.4 | Very low | 124 Ų | 124 | 169.5 Ų | 169.5 | 81% | 0.805 | 85% | 0.851 | S | S | * | * | -130.1 | 172 | 119 | 6.7 | 15.7 | 0 | 0 | 0 | 113.9 | |||||
| 8 | P | 46.1 | Very low | 37.5 | Very low | 113 Ų | 113 | 166.8 Ų | 166.8 | 73% | 0.734 | 85% | 0.851 | S | S | * | * | trans | -106.1 | 163.3 | -154 | 39.4 | -37 | 0 | 0 | 0 | 119.2 | ||||
| 9 | D | 35.2 | Very low | 37.5 | Very low | 116 Ų | 116 | 165.8 Ų | 165.8 | 62% | 0.62 | 85% | 0.847 | S | S | * | * | trans | 19.1 | 119.7 | 155.8 | -66.8 | -73.2 | 0 | 0 | 0 | 123.1 | K11 | D9-K11 IonicContact OD1-NZ 3.51Š| ||
| 10 | K | 37 | Very low | 37.7 | Very low | 212 Ų | 212 | 162.8 Ų | 162.8 | 92% | 0.922 | 84% | 0.841 | S | S | * | * | trans | -133.9 | 99.5 | 144.8 | -69.7 | -176.3 | -178.7 | 176 | 0 | 109.8 | ||||
| 11 | K | 35.9 | Very low | 37.9 | Very low | 177 Ų | 177 | 164 Ų | 164 | 77% | 0.77 | 84% | 0.84 | S | S | * | * | trans | -120.9 | 112.6 | 179.5 | -72.5 | 178.2 | -176.8 | 158.4 | 0 | 112.4 | D9 | D9-K11 IonicContact OD1-NZ 3.51Š| ||
| 12 | R | 45.6 | Very low | 38.2 | Very low | 247 Ų | 247 | 160.4 Ų | 160.4 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | trans | -69.8 | 134 | 166.4 | -71.4 | 173.4 | 168.1 | 165.8 | -5.2 | 110.3 | ||||
| 13 | P | 35.7 | Very low | 39.1 | Very low | 124 Ų | 124 | 162.1 Ų | 162.1 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | trans | -91.2 | 139.5 | 157.3 | 33.2 | -29.1 | 0 | 0 | 0 | 111 | ||||
| 14 | R | 34.3 | Very low | 39.6 | Very low | 250 Ų | 250 | 166.6 Ų | 166.6 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | trans | -147.6 | 83 | 171.8 | -145.9 | -168.8 | -164 | -162.2 | 6.2 | 111.4 | ||||
| 15 | R | 33.9 | Very low | 40.3 | Very low | 252 Ų | 252 | 166.7 Ų | 166.7 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | trans | -173.3 | 157.9 | 162.1 | -108.2 | 171.9 | 171.6 | 174.7 | -3.1 | 107.5 | ||||
| 16 | S | 33.7 | Very low | 41 | Very low | 114 Ų | 114 | 167.1 Ų | 167.1 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | cis | -130.1 | 178.8 | 11.1 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 17 | L | 35.1 | Very low | 41.7 | Very low | 162 Ų | 162 | 162.8 Ų | 162.8 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -99.9 | 140.3 | -175.7 | -66.4 | 159.6 | 0 | 0 | 0 | 111.3 | ||||
| 18 | S | 37.7 | Very low | 42.2 | Very low | 121 Ų | 121 | 163.5 Ų | 163.5 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -161.5 | 115.4 | 138.8 | 47 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 19 | I | 37.9 | Very low | 43.3 | Very low | 149 Ų | 149 | 161.3 Ų | 161.3 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -103.9 | 119.3 | 172.4 | -66.9 | 173.9 | 0 | 0 | 0 | 108.1 | K21 | I19-K21 HydrophobicContact CG2-CG 3.96Š| ||
| 20 | S | 42.3 | Very low | 44.7 | Very low | 104 Ų | 104 | 161.9 Ų | 161.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -125.1 | 106.3 | 160.3 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | N22 | S20-N22 VanDerWaalsContact C-N 3.31Å; S20-N22 PolarHBondContact O-N 3.22Å | ||
| 21 | K | 42.5 | Very low | 45.8 | Very low | 190 Ų | 190 | 157 Ų | 157 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -77.3 | 76.5 | -178.2 | -72.4 | -175.4 | 178.1 | 178.6 | 0 | 111.3 | I19 K23 | I19-K21 HydrophobicContact CG2-CG 3.96Å; K21-K23 PolarHBondContact O-N 2.65Å; K21-K23 VanDerWaalsContact O-N 3.1Å | ||
| 22 | N | 41.6 | Very low | 47 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -68.8 | 106 | 165 | -89 | -17.4 | 0 | 0 | 0 | 109.7 | S20 K24 | S20-N22 VanDerWaalsContact C-N 3.31Å; S20-N22 PolarHBondContact O-N 3.22Å; N22-K24 PolarHBondContact O-N 2.93Å | ||
| 23 | K | 50.8 | Low | 47.7 | Very low | 208 Ų | 208 | 143.6 Ų | 143.6 | 90% | 0.904 | 76% | 0.757 | S | S | * | * | trans | -59.8 | 97.6 | 165.3 | -77.5 | -176.5 | 175 | -179.2 | 0 | 108.4 | K21 K25 | K21-K23 PolarHBondContact O-N 2.65Å; K21-K23 VanDerWaalsContact O-N 3.1Å; K23-K25 PolarHBondContact O-N 3.02Å; K23-K25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | K | 46.6 | Very low | 49 | Very low | 201 Ų | 201 | 145.8 Ų | 145.8 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 117.1 | 160.9 | -74.7 | -174.2 | 175.3 | -177.3 | 0 | 106.9 | N22 A26 | N22-K24 PolarHBondContact O-N 2.93Å; K24-A26 PolarHBondContact O-N 2.83Å |
| 25 | K | 51.9 | Low | 50.2 | Low | 203 Ų | 203 | 139.8 Ų | 139.8 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 127.2 | 159.9 | -75.6 | -175.8 | 174.3 | -176.9 | 0 | 106.1 | K23 S27 | K23-K25 PolarHBondContact O-N 3.02Å; K23-K25 VanDerWaalsContact O-N 3.13Å; K25-S27 PolarHBondContact O-N 3.32Å |
| 26 | A | 51.1 | Low | 51.7 | Low | 87 Ų | 87 | 133.6 Ų | 133.6 | 72% | 0.719 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 126.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | K24 N28 | K24-A26 PolarHBondContact O-N 2.83Å; A26-N28 PolarHBondContact O-N 3.28Å |
| 27 | S | 57.3 | Low | 53.6 | Low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | trans | -69.9 | 111.3 | 166.6 | 47.1 | 0 | 0 | 0 | 0 | 107.1 | K25 S29 | K25-S27 PolarHBondContact O-N 3.32Å; S27-S29 PolarHBondContact O-N 3.32Å | ||
| 28 | N | 54.3 | Low | 55.3 | Low | 139 Ų | 139 | 128.6 Ų | 128.6 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | -54.7 | 117.2 | 172.1 | -68 | -3.7 | 0 | 0 | 0 | 107.8 | A26 | A26-N28 PolarHBondContact O-N 3.28Š| ||
| 29 | S | 69.2 | Low | 57.2 | Low | 66 Ų | 66 | 126.8 Ų | 126.8 | 46% | 0.462 | 69% | 0.693 | S | S | . | * | trans | -63.6 | 144.7 | 176.9 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | S27 I31 S32 | S27-S29 PolarHBondContact O-N 3.32Å; S29-I31 PolarHBondContact O-N 2.75Å; S29-I31 WeakPolarHBondContact OG-CG1 3.21Å; S29-I31 PolarHBondContact OG-N 3.18Å; S29-S32 PolarHBondContact O-N 3.35Å; S29-S32 PolarHBondContact O-OG 2.99Å | ||
| 30 | I | 64.3 | Low | 59.3 | Low | 129 Ų | 129 | 123.6 Ų | 123.6 | 66% | 0.662 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -25.7 | 174.5 | -76 | 167.5 | 0 | 0 | 0 | 111.7 | S32 C33 F34 | I30-S32 PolarHBondContact O-N 2.94Å; I30-C33 VanDerWaalsContact O-CB 3.28Å; I30-C33 WeakPolarHBondContact O-CB 3.4Å; I30-C33 PolarHBondContact O-N 2.86Å; I30-F34 HydrophobicContact CG2-CD2 4.23Å; I30-F34 HydrophobicContact CG2-CE2 3.71Å; I30-F34 WeakPolarHBondContact O-CD2 3.32Å |
| 31 | I | 60.6 | Low | 61.6 | Low | 110 Ų | 110 | 124 Ų | 124 | 56% | 0.564 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -52.4 | -35.5 | 171.8 | -59.5 | 170.4 | 0 | 0 | 0 | 112.5 | S29 C33 F34 N35 | S29-I31 PolarHBondContact O-N 2.75Å; S29-I31 WeakPolarHBondContact OG-CG1 3.21Å; S29-I31 PolarHBondContact OG-N 3.18Å; I31-C33 PolarHBondContact O-N 3.11Å; I31-F34 PolarHBondContact O-N 3.31Å; I31-N35 PolarHBondContact O-N 2.84Å |
| 32 | S | 60.5 | Low | 64 | Low | 58 Ų | 58 | 117.2 Ų | 117.2 | 41% | 0.406 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.1 | -20.7 | 177.6 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | S29 I30 F34 | S29-S32 PolarHBondContact O-N 3.35Å; S29-S32 PolarHBondContact O-OG 2.99Å; I30-S32 PolarHBondContact O-N 2.94Å; S32-F34 VanDerWaalsContact C-N 3.35Å |
| 33 | C | 60.8 | Low | 66.4 | Low | 84 Ų | 84 | 113 Ų | 113 | 57% | 0.568 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.9 | -24.7 | 174.4 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | I30 I31 N36 | I30-C33 VanDerWaalsContact O-CB 3.28Å; I30-C33 WeakPolarHBondContact O-CB 3.4Å; I30-C33 PolarHBondContact O-N 2.86Å; I31-C33 PolarHBondContact O-N 3.11Å; C33-N36 PolarHBondContact O-ND2 3.23Å |
| 34 | F | 61.9 | Low | 68.3 | Low | 169 Ų | 169 | 103.1 Ų | 103.1 | 74% | 0.741 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -88.9 | -16.2 | 178.7 | -69.4 | -76.5 | 0 | 0 | 0 | 113.6 | I30 I31 S32 N36 | I30-F34 HydrophobicContact CG2-CD2 4.23Å; I30-F34 HydrophobicContact CG2-CE2 3.71Å; I30-F34 WeakPolarHBondContact O-CD2 3.32Å; I31-F34 PolarHBondContact O-N 3.31Å; S32-F34 VanDerWaalsContact C-N 3.35Å; F34-N36 PolarHBondContact O-N 3.25Å |
| 35 | N | 61.3 | Low | 70.3 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 66% | 0.663 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 5.6 | 174.2 | -69.5 | -8.7 | 0 | 0 | 0 | 114 | I31 A37 | I31-N35 PolarHBondContact O-N 2.84Å; N35-A37 VanDerWaalsContact C-N 3.33Å; N35-A37 PolarHBondContact O-N 2.82Å |
| 36 | N | 65.4 | Low | 72.1 | Confident | 123 Ų | 123 | 94.1 Ų | 94.1 | 66% | 0.658 | 57% | 0.574 | S | S | * | * | trans | -77.2 | 81.5 | 175.3 | -68.9 | -63.3 | 0 | 0 | 0 | 110.5 | C33 F34 | C33-N36 PolarHBondContact O-ND2 3.23Å; F34-N36 PolarHBondContact O-N 3.25Å | ||
| 37 | A | 72.3 | Confident | 74.1 | Confident | 86 Ų | 86 | 90.6 Ų | 90.6 | 71% | 0.711 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 132.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | N35 | N35-A37 VanDerWaalsContact C-N 3.33Å; N35-A37 PolarHBondContact O-N 2.82Å |
| 38 | P | 71.9 | Confident | 75.5 | Confident | 85 Ų | 85 | 89.9 Ų | 89.9 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 140.5 | -177.1 | 25.1 | -33.9 | 0 | 0 | 0 | 110.2 | A40 | P38-A40 PolarHBondContact O-N 3.45Š|
| 39 | P | 76.1 | Confident | 77.2 | Confident | 82 Ų | 82 | 87.5 Ų | 87.5 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 127.2 | -173.6 | 24.1 | -34.4 | 0 | 0 | 0 | 111 | K41 L42 | P39-K41 PolarHBondContact O-N 3.1Å; P39-K41 VanDerWaalsContact O-N 3.16Å; P39-L42 HydrophobicContact CG-CD2 3.86Å |
| 40 | A | 83 | Confident | 78.3 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -64 | -20.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P38 P52 R53 | P38-A40 PolarHBondContact O-N 3.45Å; A40-P52 WeakPolarHBondContact O-CA 3.41Å; A40-R53 PolarHBondContact O-N 3.25Å |
| 41 | K | 90.6 | Very high | 79.6 | Confident | 112 Ų | 112 | 84.6 Ų | 84.6 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.5 | 171.8 | -60.7 | -172.9 | 177.4 | -169.5 | 0 | 110.3 | P39 M50 V51 | P39-K41 PolarHBondContact O-N 3.1Å; P39-K41 VanDerWaalsContact O-N 3.16Å; K41-M50 HydrophobicContact CB-CB 4.37Å; K41-M50 HydrophobicContact CB-CE 4.03Å; K41-M50 HydrophobicContact CD-CB 4.46Å; K41-V51 CarbonylContact C-O 3.44Å; K41-V51 WeakPolarHBondContact CA-O 3.19Å; K41-V51 WeakPolarHBondContact CB-O 3.26Å |
| 42 | L | 91.6 | Very high | 81.2 | Confident | 49 Ų | 49 | 81.7 Ų | 81.7 | 26% | 0.257 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 147.9 | 176.8 | -64 | 175.8 | 0 | 0 | 0 | 109.3 | P39 M50 V51 R53 L56 | P39-L42 HydrophobicContact CG-CD2 3.86Å; L42-M50 CarbonylContact O-C 3.6Å; L42-M50 WeakPolarHBondContact O-CA 2.74Å; L42-V51 PolarHBondContact N-O 2.74Å; L42-V51 PolarHBondContact O-N 2.56Å; L42-R53 HydrophobicContact CD1-CB 4.39Å; L42-R53 HydrophobicContact CD1-CG 4.05Å; L42-R53 HydrophobicContact CG-CB 4.47Å; L42-L56 HydrophobicContact CB-CD2 4.08Å; L42-L56 HydrophobicContact CD1-CD2 3.85Å |
| 43 | A | 92.9 | Very high | 82.6 | Confident | 61 Ų | 61 | 84.4 Ų | 84.4 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 129.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K49 M50 | A43-K49 CarbonylContact C-O 3.58Å; A43-K49 WeakPolarHBondContact CA-O 3.32Å; A43-M50 HydrophobicContact CB-SD 4Å |
| 44 | C | 91.6 | Very high | 84.1 | Confident | 2 Ų | 2 | 90.1 Ų | 90.1 | 1% | 0.014 | 50% | 0.502 | C | S | . | . | trans | -66.6 | 128.4 | 171.6 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | V46 S48 K49 V51 L56 C64 | C44-V46 PolarHBondContact O-N 3.19Å; C44-V46 PolarHBondContact SG-N 2.99Å; C44-V46 VanDerWaalsContact SG-N 3.41Å; C44-S48 WeakPolarHBondContact O-CA 3.35Å; C44-S48 PolarHBondContact O-N 3.38Å; C44-K49 PolarHBondContact N-O 3.03Å; C44-V51 HydrophobicContact CB-CG2 4.14Å; C44-L56 HydrophobicContact CB-CD1 4.17Å; C44-C64 VanDerWaalsContact SG-SG 3.63Å | ||
| 45 | P | 88.7 | Confident | 85.6 | Confident | 109 Ų | 109 | 84.3 Ų | 84.3 | 71% | 0.708 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15 | 179.8 | 27.8 | -35.5 | 0 | 0 | 0 | 114 | L60 | P45-L60 HydrophobicContact CG-CD2 4.34Š|
| 46 | V | 89.2 | Confident | 87 | Confident | 105 Ų | 105 | 79.6 Ų | 79.6 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -49.7 | -177.9 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | C44 L60 | C44-V46 PolarHBondContact O-N 3.19Å; C44-V46 PolarHBondContact SG-N 2.99Å; C44-V46 VanDerWaalsContact SG-N 3.41Å; V46-L60 HydrophobicContact CB-CD2 4.42Å; V46-L60 HydrophobicContact CG2-CD2 3.72Å |
| 47 | C | 91.8 | Very high | 88.2 | Confident | 13 Ų | 13 | 79.1 Ų | 79.1 | 9% | 0.088 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 4 | -175.9 | 74.1 | 0 | 0 | 0 | 0 | 115 | K49 H59 C64 | C47-K49 HydrophobicContact CB-CG 4.48Å; C47-K49 PolarHBondContact O-N 2.87Å; C47-K49 VanDerWaalsContact SG-CG 3.59Å; C47-H59 PolarHBondContact SG-NE2 3.41Å; C47-C64 HydrophobicContact CB-CB 3.85Å; C47-C64 VanDerWaalsContact SG-SG 3.65Å |
| 48 | S | 88.7 | Confident | 89.2 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 70% | 0.699 | 44% | 0.439 | S | S | * | . | trans | 59.9 | 2.1 | -175.9 | -56.8 | 0 | 0 | 0 | 0 | 116.9 | C44 | C44-S48 WeakPolarHBondContact O-CA 3.35Å; C44-S48 PolarHBondContact O-N 3.38Å | ||
| 49 | K | 88.8 | Confident | 90.2 | Very high | 89 Ų | 89 | 78.1 Ų | 78.1 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | trans | -71.7 | 146.1 | -178.7 | -63.2 | -175.7 | -178.7 | -169.4 | 0 | 111.9 | A43 C44 C47 V51 N66 | A43-K49 CarbonylContact C-O 3.58Å; A43-K49 WeakPolarHBondContact CA-O 3.32Å; C44-K49 PolarHBondContact N-O 3.03Å; C47-K49 HydrophobicContact CB-CG 4.48Å; C47-K49 PolarHBondContact O-N 2.87Å; C47-K49 VanDerWaalsContact SG-CG 3.59Å; K49-V51 PolarHBondContact O-N 3.23Å; K49-N66 PolarHBondContact NZ-O 3.34Å | ||
| 50 | M | 92.7 | Very high | 90.9 | Very high | 121 Ų | 121 | 76.8 Ų | 76.8 | 60% | 0.596 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 93.7 | 179.6 | -73.2 | -69.5 | -78.8 | 0 | 0 | 111.3 | K41 L42 A43 | K41-M50 HydrophobicContact CB-CB 4.37Å; K41-M50 HydrophobicContact CB-CE 4.03Å; K41-M50 HydrophobicContact CD-CB 4.46Å; L42-M50 CarbonylContact O-C 3.6Å; L42-M50 WeakPolarHBondContact O-CA 2.74Å; A43-M50 HydrophobicContact CB-SD 4Å |
| 51 | V | 91.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 79.1 Ų | 79.1 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 142.5 | -176.9 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | K41 L42 C44 K49 D55 L56 H59 | K41-V51 CarbonylContact C-O 3.44Å; K41-V51 WeakPolarHBondContact CA-O 3.19Å; K41-V51 WeakPolarHBondContact CB-O 3.26Å; L42-V51 PolarHBondContact N-O 2.74Å; L42-V51 PolarHBondContact O-N 2.56Å; C44-V51 HydrophobicContact CB-CG2 4.14Å; K49-V51 PolarHBondContact O-N 3.23Å; V51-D55 HydrophobicContact CG1-CB 3.96Å; V51-L56 HydrophobicContact CB-CD1 4.24Å; V51-L56 HydrophobicContact CG2-CD1 4.35Å; V51-H59 HydrophobicContact CG1-CB 3.83Å; V51-H59 HydrophobicContact CG2-CB 4.2Å; V51-H59 VanDerWaalsContact CG2-CD2 3.48Å; V51-H59 WeakPolarHBondContact CG2-CD2 3.36Å |
| 52 | P | 94.2 | Very high | 91.3 | Very high | 48 Ų | 48 | 78.6 Ų | 78.6 | 31% | 0.312 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 141.5 | 171.5 | -23.1 | 33.6 | 0 | 0 | 0 | 112.3 | A40 Y54 D55 L56 | A40-P52 WeakPolarHBondContact O-CA 3.41Å; P52-Y54 PolarHBondContact O-N 3.33Å; P52-Y54 VanDerWaalsContact O-N 3.1Å; P52-D55 HydrophobicContact CB-CB 4.16Å; P52-D55 VanDerWaalsContact CB-OD2 3.32Å; P52-D55 WeakPolarHBondContact CB-OD2 3.32Å; P52-D55 HydrophobicContact CG-CB 4.42Å; P52-D55 WeakPolarHBondContact CG-OD2 3.47Å; P52-D55 PolarHBondContact O-N 3.44Å; P52-L56 PolarHBondContact O-N 3.24Å; P52-L56 VanDerWaalsContact O-N 3.12Å |
| 53 | R | 90.8 | Very high | 90.9 | Very high | 116 Ų | 116 | 83.7 Ų | 83.7 | 44% | 0.438 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37.3 | -172.1 | 176.4 | 178.4 | 171.7 | 91.6 | 4.5 | 113.8 | A40 L42 | A40-R53 PolarHBondContact O-N 3.25Å; L42-R53 HydrophobicContact CD1-CB 4.39Å; L42-R53 HydrophobicContact CD1-CG 4.05Å; L42-R53 HydrophobicContact CG-CB 4.47Å |
| 54 | Y | 92.6 | Very high | 90.6 | Very high | 203 Ų | 203 | 80.9 Ų | 80.9 | 80% | 0.796 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.1 | -179.5 | -57.5 | -75.1 | 0 | 0 | 0 | 113.6 | P52 | P52-Y54 PolarHBondContact O-N 3.33Å; P52-Y54 VanDerWaalsContact O-N 3.1Å |
| 55 | D | 91.7 | Very high | 89.6 | Confident | 48 Ų | 48 | 84.6 Ų | 84.6 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -8.2 | -178.3 | -61.2 | -39.6 | 0 | 0 | 0 | 112.8 | V51 P52 N57 R58 H59 | V51-D55 HydrophobicContact CG1-CB 3.96Å; P52-D55 HydrophobicContact CB-CB 4.16Å; P52-D55 VanDerWaalsContact CB-OD2 3.32Å; P52-D55 WeakPolarHBondContact CB-OD2 3.32Å; P52-D55 HydrophobicContact CG-CB 4.42Å; P52-D55 WeakPolarHBondContact CG-OD2 3.47Å; P52-D55 PolarHBondContact O-N 3.44Å; D55-N57 VanDerWaalsContact C-N 3.32Å; D55-N57 PolarHBondContact O-N 3.08Å; D55-R58 PolarHBondContact O-N 2.84Å; D55-R58 IonicContact OD1-CZ 3.76Å; D55-R58 IonicContact OD1-NH1 2.7Å; D55-R58 PolarHBondContact OD1-NH1 3.49Å; D55-R58 IonicContact OD1-NH2 3.17Å; D55-R58 PolarHBondContact OD1-NH2 3.11Å; D55-R58 IonicContact OD2-NH2 3.99Å; D55-H59 WeakPolarHBondContact O-CB 3.32Å; D55-H59 PolarHBondContact O-N 3.18Å |
| 56 | L | 91.8 | Very high | 88.4 | Confident | 24 Ų | 24 | 86 Ų | 86 | 13% | 0.126 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | -176.3 | 178.5 | 62.1 | 0 | 0 | 0 | 112.8 | L42 C44 V51 P52 H59 L60 | L42-L56 HydrophobicContact CB-CD2 4.08Å; L42-L56 HydrophobicContact CD1-CD2 3.85Å; C44-L56 HydrophobicContact CB-CD1 4.17Å; V51-L56 HydrophobicContact CB-CD1 4.24Å; V51-L56 HydrophobicContact CG2-CD1 4.35Å; P52-L56 PolarHBondContact O-N 3.24Å; P52-L56 VanDerWaalsContact O-N 3.12Å; L56-H59 PolarHBondContact O-N 2.98Å; L56-L60 HydrophobicContact CD1-CD1 4.43Å; L56-L60 HydrophobicContact CG-CD1 4.3Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 2.68Å; L56-L60 VanDerWaalsContact O-N 3.12Å |
| 57 | N | 90.6 | Very high | 86.6 | Confident | 114 Ų | 114 | 84.3 Ų | 84.3 | 61% | 0.61 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.5 | -52.3 | 177.4 | -67.5 | 14.1 | 0 | 0 | 0 | 110.3 | D55 H59 L60 D61 | D55-N57 VanDerWaalsContact C-N 3.32Å; D55-N57 PolarHBondContact O-N 3.08Å; N57-H59 PolarHBondContact O-N 3.48Å; N57-L60 CarbonylContact O-C 3.57Å; N57-L60 WeakPolarHBondContact O-CA 3.43Å; N57-L60 WeakPolarHBondContact O-CB 3.32Å; N57-L60 PolarHBondContact O-N 2.83Å; N57-D61 PolarHBondContact O-N 3.06Å; N57-D61 VanDerWaalsContact O-OD2 3.07Å |
| 58 | R | 92 | Very high | 84.3 | Confident | 122 Ų | 122 | 91 Ų | 91 | 46% | 0.46 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -54.9 | -39.2 | 177.8 | -175.2 | 173.2 | 71.4 | -100.4 | 4.2 | 112.3 | D55 L60 D61 E62 | D55-R58 PolarHBondContact O-N 2.84Å; D55-R58 IonicContact OD1-CZ 3.76Å; D55-R58 IonicContact OD1-NH1 2.7Å; D55-R58 PolarHBondContact OD1-NH1 3.49Å; D55-R58 IonicContact OD1-NH2 3.17Å; D55-R58 PolarHBondContact OD1-NH2 3.11Å; D55-R58 IonicContact OD2-NH2 3.99Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 3.48Å; R58-D61 PolarHBondContact O-N 3.33Å; R58-E62 HydrophobicContact CG-CG 4.41Å; R58-E62 WeakPolarHBondContact CG-OE1 3.4Å; R58-E62 IonicContact NE-OE1 2.77Å; R58-E62 VanDerWaalsContact O-CB 3.29Å; R58-E62 WeakPolarHBondContact O-CB 3.29Å; R58-E62 WeakPolarHBondContact O-CG 3.48Å; R58-E62 PolarHBondContact O-N 2.7Å |
| 59 | H | 93.2 | Very high | 81.9 | Confident | 27 Ų | 27 | 93 Ų | 93 | 13% | 0.125 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.2 | -29.5 | 175.9 | 173.9 | 76.2 | 0 | 0 | 0 | 114.3 | C47 V51 D55 L56 N57 C64 | C47-H59 PolarHBondContact SG-NE2 3.41Å; V51-H59 HydrophobicContact CG1-CB 3.83Å; V51-H59 HydrophobicContact CG2-CB 4.2Å; V51-H59 VanDerWaalsContact CG2-CD2 3.48Å; V51-H59 WeakPolarHBondContact CG2-CD2 3.36Å; D55-H59 WeakPolarHBondContact O-CB 3.32Å; D55-H59 PolarHBondContact O-N 3.18Å; L56-H59 PolarHBondContact O-N 2.98Å; N57-H59 PolarHBondContact O-N 3.48Å; H59-C64 PolarHBondContact NE2-SG 2.87Å; H59-C64 PolarHBondContact O-N 2.89Å; H59-C64 VanDerWaalsContact O-N 3.11Å |
| 60 | L | 90.9 | Very high | 79.4 | Confident | 55 Ų | 55 | 95.2 Ų | 95.2 | 29% | 0.288 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.3 | -40.3 | 171.5 | -69.2 | 165.6 | 0 | 0 | 0 | 110.8 | P45 V46 L56 N57 R58 E62 M63 | P45-L60 HydrophobicContact CG-CD2 4.34Å; V46-L60 HydrophobicContact CB-CD2 4.42Å; V46-L60 HydrophobicContact CG2-CD2 3.72Å; L56-L60 HydrophobicContact CD1-CD1 4.43Å; L56-L60 HydrophobicContact CG-CD1 4.3Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 2.68Å; L56-L60 VanDerWaalsContact O-N 3.12Å; N57-L60 CarbonylContact O-C 3.57Å; N57-L60 WeakPolarHBondContact O-CA 3.43Å; N57-L60 WeakPolarHBondContact O-CB 3.32Å; N57-L60 PolarHBondContact O-N 2.83Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 3.48Å; L60-E62 VanDerWaalsContact C-N 3.3Å; L60-E62 PolarHBondContact O-N 2.81Å; L60-M63 WeakPolarHBondContact O-CA 3.19Å; L60-M63 PolarHBondContact O-N 3.07Å |
| 61 | D | 91.8 | Very high | 76.8 | Confident | 131 Ų | 131 | 97.5 Ų | 97.5 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 174.3 | -55.3 | -41 | 0 | 0 | 0 | 111.2 | N57 R58 M63 | N57-D61 PolarHBondContact O-N 3.06Å; N57-D61 VanDerWaalsContact O-OD2 3.07Å; R58-D61 PolarHBondContact O-N 3.33Å; D61-M63 PolarHBondContact O-N 3.05Å |
| 62 | E | 89.8 | Confident | 74 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 8.5 | 170.6 | -72.1 | 167.5 | -172.6 | 0 | 0 | 113.5 | R58 L60 C64 A65 | R58-E62 HydrophobicContact CG-CG 4.41Å; R58-E62 WeakPolarHBondContact CG-OE1 3.4Å; R58-E62 IonicContact NE-OE1 2.77Å; R58-E62 VanDerWaalsContact O-CB 3.29Å; R58-E62 WeakPolarHBondContact O-CB 3.29Å; R58-E62 WeakPolarHBondContact O-CG 3.48Å; R58-E62 PolarHBondContact O-N 2.7Å; L60-E62 VanDerWaalsContact C-N 3.3Å; L60-E62 PolarHBondContact O-N 2.81Å; E62-C64 PolarHBondContact O-N 2.88Å; E62-A65 WeakPolarHBondContact O-CB 3.35Å; E62-A65 PolarHBondContact O-N 3.04Å |
| 63 | M | 84.3 | Confident | 71 | Confident | 156 Ų | 156 | 106.8 Ų | 106.8 | 77% | 0.768 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 29.6 | 177.9 | -72.2 | -69.2 | -65.4 | 0 | 0 | 114.4 | L60 D61 A65 | L60-M63 WeakPolarHBondContact O-CA 3.19Å; L60-M63 PolarHBondContact O-N 3.07Å; D61-M63 PolarHBondContact O-N 3.05Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 3.24Å |
| 64 | C | 87.5 | Confident | 68.6 | Low | 2 Ų | 2 | 106.9 Ų | 106.9 | 1% | 0.014 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 55.5 | 34.3 | -173.4 | -52.8 | 0 | 0 | 0 | 0 | 114.6 | C44 C47 H59 E62 N66 N67 | C44-C64 VanDerWaalsContact SG-SG 3.63Å; C47-C64 HydrophobicContact CB-CB 3.85Å; C47-C64 VanDerWaalsContact SG-SG 3.65Å; H59-C64 PolarHBondContact NE2-SG 2.87Å; H59-C64 PolarHBondContact O-N 2.89Å; H59-C64 VanDerWaalsContact O-N 3.11Å; E62-C64 PolarHBondContact O-N 2.88Å; C64-N66 CarbonylContact O-C 3.46Å; C64-N66 PolarHBondContact O-N 3.42Å; C64-N67 VanDerWaalsContact O-CG 3.24Å; C64-N67 PolarHBondContact O-ND2 3.07Å; C64-N67 PolarHBondContact O-OD1 2.9Å |
| 65 | A | 69.8 | Low | 65.7 | Low | 80 Ų | 80 | 100.5 Ų | 100.5 | 66% | 0.661 | 55% | 0.551 | S | S | * | * | trans | -44.1 | -27.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | E62 M63 N67 | E62-A65 WeakPolarHBondContact O-CB 3.35Å; E62-A65 PolarHBondContact O-N 3.04Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 3.24Å; A65-N67 PolarHBondContact O-N 3.13Å | ||
| 66 | N | 63.4 | Low | 63 | Low | 137 Ų | 137 | 107.8 Ų | 107.8 | 73% | 0.733 | 58% | 0.584 | S | S | * | * | trans | -85 | 77.3 | 171.9 | -68.9 | -37.5 | 0 | 0 | 0 | 110.8 | K49 C64 | K49-N66 PolarHBondContact NZ-O 3.34Å; C64-N66 CarbonylContact O-C 3.46Å; C64-N66 PolarHBondContact O-N 3.42Å | ||
| 67 | N | 51.2 | Low | 60.2 | Low | 70 Ų | 70 | 113.6 Ų | 113.6 | 37% | 0.374 | 62% | 0.62 | S | S | . | * | trans | -115.6 | 69.7 | -174 | -99 | -14.4 | 0 | 0 | 0 | 113.8 | C64 A65 F69 | C64-N67 VanDerWaalsContact O-CG 3.24Å; C64-N67 PolarHBondContact O-ND2 3.07Å; C64-N67 PolarHBondContact O-OD1 2.9Å; A65-N67 PolarHBondContact O-N 3.13Å; N67-F69 VanDerWaalsContact C-N 3.26Å; N67-F69 HydrophobicContact CB-CD2 4.06Å; N67-F69 HydrophobicContact CB-CE2 4.45Å; N67-F69 PolarHBondContact O-N 2.98Å | ||
| 68 | D | 43.5 | Very low | 57.2 | Low | 155 Ų | 155 | 111.4 Ų | 111.4 | 83% | 0.829 | 63% | 0.625 | S | S | * | * | trans | -65.9 | 82.2 | 162.9 | -65.9 | -51.2 | 0 | 0 | 0 | 111 | ||||
| 69 | F | 38.9 | Very low | 54.2 | Low | 140 Ų | 140 | 114.1 Ų | 114.1 | 61% | 0.614 | 65% | 0.647 | S | S | * | * | trans | -92.6 | 105 | 172.8 | -96.7 | -96.3 | 0 | 0 | 0 | 110.5 | N67 Q71 | N67-F69 VanDerWaalsContact C-N 3.26Å; N67-F69 HydrophobicContact CB-CD2 4.06Å; N67-F69 HydrophobicContact CB-CE2 4.45Å; N67-F69 PolarHBondContact O-N 2.98Å; F69-Q71 VanDerWaalsContact C-N 3.34Å; F69-Q71 PolarHBondContact O-N 3.45Å; F69-Q71 VanDerWaalsContact O-N 3.11Å | ||
| 70 | V | 36.2 | Very low | 51.2 | Low | 136 Ų | 136 | 119.7 Ų | 119.7 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | trans | -78.6 | 88 | 161.8 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | V72 | V70-V72 HydrophobicContact CG1-CG2 4.23Š| ||
| 71 | Q | 38.1 | Very low | 48.4 | Very low | 169 Ų | 169 | 123.8 Ų | 123.8 | 79% | 0.79 | 70% | 0.698 | S | S | * | * | trans | -93.5 | 131 | 170.6 | -175.1 | 171.1 | -15.6 | 0 | 0 | 109.5 | F69 | F69-Q71 VanDerWaalsContact C-N 3.34Å; F69-Q71 PolarHBondContact O-N 3.45Å; F69-Q71 VanDerWaalsContact O-N 3.11Å | ||
| 72 | V | 31.9 | Very low | 45.6 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | trans | -110 | 116.8 | -171.5 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | V70 | V70-V72 HydrophobicContact CG1-CG2 4.23Š| ||
| 73 | D | 31.9 | Very low | 42.8 | Very low | 137 Ų | 137 | 124 Ų | 124 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | trans | 66.1 | 161 | 163.1 | -112.7 | 23.6 | 0 | 0 | 0 | 118.4 | ||||
| 74 | P | 40.8 | Very low | 40.2 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | cis | -123.9 | 135.6 | 5.2 | 37.1 | -20.5 | 0 | 0 | 0 | 118 | ||||
| 75 | G | 31 | Very low | 37.3 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | 73.9 | 92.9 | 132.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 76 | Q | 35.1 | Very low | 35.2 | Very low | 201 Ų | 201 | 132 Ų | 132 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | trans | -141.1 | 151.5 | 137.9 | -126.1 | 177 | 18.5 | 0 | 0 | 112 | ||||
| 77 | V | 32 | Very low | 33.7 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | trans | -87.3 | 124.9 | -170.5 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 78 | G | 27.7 | Very low | 32.4 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -87 | -169.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 79 | L | 29.6 | Very low | 31.8 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | trans | -144.4 | 162.5 | 154.6 | -160 | 57.1 | 0 | 0 | 0 | 110.1 | ||||
| 80 | I | 30.3 | Very low | 31.3 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -117.6 | 136.2 | -163.3 | -55.7 | 164.2 | 0 | 0 | 0 | 110.5 | ||||
| 81 | N | 31.5 | Very low | 31.3 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | 169 | 122.7 | 138.1 | -88.6 | -40.6 | 0 | 0 | 0 | 108.8 | ||||
| 82 | S | 34.3 | Very low | 31 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | 76.8 | 142.5 | 63 | 88.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 83 | N | 30.3 | Very low | 30.8 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | cis | -159.9 | -168.2 | 15.7 | -136.7 | -22.9 | 0 | 0 | 0 | 111.8 | ||||
| 84 | V | 29.3 | Very low | 30.8 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | 81.2 | 123.2 | 170.7 | -169 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 85 | S | 26.5 | Very low | 30.3 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | 108.4 | 111.1 | 2.6 | -163.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 86 | M | 25.6 | Very low | 30.2 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | trans | -162 | 107.2 | 154.6 | -162.3 | 159.3 | -77.6 | 0 | 0 | 106.9 | ||||
| 87 | V | 31.8 | Very low | 30.1 | Very low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 64 | 124.1 | 97.8 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 88 | D | 25.3 | Very low | 30.1 | Very low | 136 Ų | 136 | 128 Ų | 128 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | cis | -151.6 | 168.4 | 14.4 | -138.5 | -15.5 | 0 | 0 | 0 | 116.8 | ||||
| 89 | L | 29.7 | Very low | 31.2 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -12.7 | 134.7 | 155 | -106.6 | 58.5 | 0 | 0 | 0 | 118.1 | ||||
| 90 | T | 29.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | 176.6 | 163.6 | 65.4 | 21.2 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 91 | S | 36 | Very low | 30.9 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | cis | -170.2 | 143.8 | -4.9 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 92 | V | 31.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | 69.5 | 137.1 | 144.3 | 172.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 93 | T | 28.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | cis | -152.4 | 146.1 | 29.6 | -11.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 94 | L | 31.7 | Very low | 31.4 | Very low | 141 Ų | 141 | 131 Ų | 131 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | 29.7 | 150.4 | 140.4 | -54.2 | 175.6 | 0 | 0 | 0 | 122.2 | ||||
| 95 | E | 29.7 | Very low | 32.1 | Very low | 156 Ų | 156 | 130 Ų | 130 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | cis | -152.7 | 136.3 | 3.7 | -121.5 | 159.9 | -146 | 0 | 0 | 108.2 | ||||
| 96 | D | 28.8 | Very low | 32.2 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | 70 | 144.3 | 91.6 | -144.6 | 33.8 | 0 | 0 | 0 | 114 | |||||
| 97 | V | 32.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | -144.5 | 151.6 | 51.2 | 176.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 98 | T | 33.2 | Very low | 32 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | trans | -51.1 | 165.9 | -175.6 | 63.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 99 | P | 49.3 | Very low | 32.1 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -110.9 | -177.5 | -177.8 | 43.4 | -36.5 | 0 | 0 | 0 | 115.3 | ||||
| 100 | K | 27.4 | Very low | 32.1 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -166.6 | 130.8 | 155.6 | -107.7 | 139.8 | -167.9 | 164.9 | 0 | 118.6 | ||||
| 101 | K | 27.4 | Very low | 32.6 | Very low | 203 Ų | 203 | 135 Ų | 135 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | 66.1 | 151.1 | 137.8 | -74.1 | -174.9 | 174.6 | -171.9 | 0 | 123.5 | ||||
| 102 | S | 24.4 | Very low | 32 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -136 | -161.8 | -179.2 | 63.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 103 | P | 40.9 | Very low | 31.9 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | cis | -119.3 | -131.6 | -37 | 32.4 | -9.6 | 0 | 0 | 0 | 107.4 | ||||
| 104 | P | 40.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -124.6 | -113.2 | -24.8 | 29.7 | -2.9 | 0 | 0 | 0 | 113.6 | ||||
| 105 | P | 45.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | trans | -140.4 | -177.9 | -139.4 | 42.4 | -19.5 | 0 | 0 | 0 | 118.6 | ||||
| 106 | K | 27.9 | Very low | 31.9 | Very low | 194 Ų | 194 | 135 Ų | 135 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | 180 | 142.4 | 129.1 | -104.9 | 168.5 | -175.9 | 178.1 | 0 | 117.8 | |||||
| 107 | T | 24.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 75.6 | 141.8 | 144.6 | -51.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 108 | N | 28.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -95.9 | 165.9 | -179.3 | -45.5 | -72.6 | 0 | 0 | 0 | 112.8 | ||||
| 109 | L | 27.1 | Very low | 31.8 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | 179 | 158.2 | 126 | -96.6 | 168.3 | 0 | 0 | 0 | 112.6 | |||||
| 110 | T | 28.9 | Very low | 31 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -138 | 174.2 | 173.1 | 22.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 111 | P | 40 | Very low | 31.5 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | cis | -129.3 | -173.1 | 3.8 | 42.2 | -26.2 | 0 | 0 | 0 | 114.6 | ||||
| 112 | G | 24.2 | Very low | 32 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -163.9 | 143.1 | 166 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 113 | Q | 29.7 | Very low | 32.8 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -87.8 | 170.1 | 171.2 | -63.3 | 170.8 | -47.4 | 0 | 0 | 109 | ||||
| 114 | S | 28.1 | Very low | 32.9 | Very low | 90 Ų | 90 | 149.3 Ų | 149.3 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | cis | -159.8 | 169.6 | 29 | -44.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 115 | D | 28.1 | Very low | 33.5 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 76.4 | 150.6 | 141.4 | -62.9 | -31.5 | 0 | 0 | 0 | 125 | ||||
| 116 | S | 32.1 | Very low | 33.7 | Very low | 123 Ų | 123 | 149 Ų | 149 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 78.1 | 116.5 | 161.1 | -153.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 117 | A | 30.3 | Very low | 34.5 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -101.4 | 152.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 118 | K | 31.4 | Very low | 35.1 | Very low | 207 Ų | 207 | 149 Ų | 149 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | trans | -154.1 | 132.6 | 146.7 | -108.5 | 163.1 | -171.4 | 179.2 | 0 | 110 | ||||
| 119 | R | 32.2 | Very low | 35.9 | Very low | 241 Ų | 241 | 150.3 Ų | 150.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -80.8 | 128.8 | 168.2 | -79.1 | 179.7 | 169.5 | 180 | -4 | 108.6 | ||||
| 120 | E | 31.8 | Very low | 36.9 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -110.8 | 111.8 | 157.3 | -75.7 | -168.9 | 163.3 | 0 | 0 | 109.3 | K122 | E120-K122 PolarHBondContact O-N 2.88Š| ||
| 121 | V | 37.4 | Very low | 37.4 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -81.4 | 101 | 168.9 | 177.9 | 0 | 0 | 0 | 0 | 107.3 | Q123 | V121-Q123 PolarHBondContact O-N 2.94Š| ||
| 122 | K | 39.5 | Very low | 37.2 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | -77.2 | 106.6 | 176.7 | -67.1 | -172.5 | 177.5 | -176.7 | 0 | 109.8 | E120 K124 | E120-K122 PolarHBondContact O-N 2.88Å; K122-K124 PolarHBondContact O-N 3.2Å | ||
| 123 | Q | 41 | Very low | 37.6 | Very low | 177 Ų | 177 | 155 Ų | 155 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -54.8 | 131.7 | 169.8 | -69.8 | 172.2 | -32 | 0 | 0 | 109.8 | V121 | V121-Q123 PolarHBondContact O-N 2.94Š| ||
| 124 | K | 42.9 | Very low | 37.8 | Very low | 206 Ų | 206 | 152.2 Ų | 152.2 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -101.7 | 91.3 | -179.5 | -71.1 | -177.4 | -179.6 | 176.3 | 0 | 110 | K122 | K122-K124 PolarHBondContact O-N 3.2Š| ||
| 125 | I | 52.3 | Low | 38.1 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -77.2 | 138.9 | 171.6 | -58.5 | 175.2 | 0 | 0 | 0 | 109.5 | F129 | I125-F129 HydrophobicContact CG2-CB 4.3Š| ||
| 126 | S | 49.6 | Very low | 38.1 | Very low | 83 Ų | 83 | 152.2 Ų | 152.2 | 58% | 0.58 | 79% | 0.789 | S | S | * | * | trans | -60.8 | 156.7 | 179.9 | -77.3 | 0 | 0 | 0 | 0 | 113.8 | Y128 | S126-Y128 PolarHBondContact O-N 3.2Š| ||
| 127 | P | 45.4 | Very low | 38 | Very low | 106 Ų | 106 | 155.4 Ų | 155.4 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -62.5 | -19.2 | -163.6 | -26 | 36 | 0 | 0 | 0 | 116.7 | F129 | P127-F129 PolarHBondContact O-N 3.08Š|
| 128 | Y | 36 | Very low | 38.1 | Very low | 214 Ų | 214 | 158.5 Ų | 158.5 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -77.1 | -13.3 | -170.3 | -73.7 | -86.6 | 0 | 0 | 0 | 115.3 | S126 | S126-Y128 PolarHBondContact O-N 3.2Š|
| 129 | F | 46.5 | Very low | 38.1 | Very low | 173 Ų | 173 | 157.8 Ų | 157.8 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -113.1 | 23.6 | -173.6 | -72.4 | -75 | 0 | 0 | 0 | 115.2 | I125 P127 S131 | I125-F129 HydrophobicContact CG2-CB 4.3Å; P127-F129 PolarHBondContact O-N 3.08Å; F129-S131 PolarHBondContact O-N 3.43Å; F129-S131 VanDerWaalsContact O-N 3.16Å |
| 130 | K | 47.7 | Very low | 38.3 | Very low | 180 Ų | 180 | 154.1 Ų | 154.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -78.5 | 96.2 | 172.8 | -74.5 | -173.3 | 175.2 | -179.5 | 0 | 112 | ||||
| 131 | S | 40.3 | Very low | 38.2 | Very low | 108 Ų | 108 | 155 Ų | 155 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 147.9 | 157.5 | 47 | 0 | 0 | 0 | 0 | 110.4 | F129 | F129-S131 PolarHBondContact O-N 3.43Å; F129-S131 VanDerWaalsContact O-N 3.16Å |
| 132 | N | 33.9 | Very low | 38.6 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 121.9 | 178.9 | -68.9 | -53.2 | 0 | 0 | 0 | 110.7 | V134 | N132-V134 PolarHBondContact O-N 3.38Š|
| 133 | D | 32.6 | Very low | 38.3 | Very low | 165 Ų | 165 | 159.9 Ų | 159.9 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129 | 173.4 | -88.2 | -47.9 | 0 | 0 | 0 | 111.9 | ||
| 134 | V | 35.3 | Very low | 38.7 | Very low | 133 Ų | 133 | 159.9 Ų | 159.9 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -111.2 | 119.2 | 164.7 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | N132 C136 | N132-V134 PolarHBondContact O-N 3.38Å; V134-C136 PolarHBondContact O-N 2.94Å | ||
| 135 | V | 33.3 | Very low | 38.4 | Very low | 131 Ų | 131 | 161.3 Ų | 161.3 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 116.9 | -171.4 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 136 | C | 28.8 | Very low | 37.8 | Very low | 115 Ų | 115 | 160.3 Ų | 160.3 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 137.3 | 160.8 | -163.2 | 0 | 0 | 0 | 0 | 109.5 | V134 | V134-C136 PolarHBondContact O-N 2.94Š|
| 137 | K | 30.4 | Very low | 37.4 | Very low | 190 Ų | 190 | 162.7 Ų | 162.7 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 128.3 | 173.3 | -73.1 | -175.3 | 175.9 | -177.4 | 0 | 109.4 | ||
| 138 | N | 32 | Very low | 37.4 | Very low | 157 Ų | 157 | 166.4 Ų | 166.4 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 132 | 175.3 | -62.1 | -28.5 | 0 | 0 | 0 | 111.2 | ||
| 139 | Q | 31.9 | Very low | 37.8 | Very low | 191 Ų | 191 | 161.7 Ų | 161.7 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -140.9 | 135.3 | 145.1 | -80.4 | -162.7 | -34.1 | 0 | 0 | 108.5 | ||||
| 140 | D | 35.1 | Very low | 37.6 | Very low | 164 Ų | 164 | 160 Ų | 160 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -68.4 | 136.8 | 165 | -73.7 | -71.6 | 0 | 0 | 0 | 110.4 | ||||
| 141 | E | 31.3 | Very low | 37.3 | Very low | 175 Ų | 175 | 156.8 Ų | 156.8 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -158.3 | 125.3 | 134 | -127.3 | -173.4 | -160.2 | 0 | 0 | 112 | R143 | E141-R143 PolarHBondContact O-N 3.2Š| ||
| 142 | L | 44 | Very low | 37.6 | Very low | 179 Ų | 179 | 159.5 Ų | 159.5 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | trans | -78.7 | 97.5 | 175.4 | -77.4 | 168.8 | 0 | 0 | 0 | 110.9 | ||||
| 143 | R | 33.2 | Very low | 38.1 | Very low | 221 Ų | 221 | 155.1 Ų | 155.1 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -133.3 | 127.8 | 160.1 | -86.1 | -169.6 | 176.1 | -94.1 | -1.6 | 113.1 | E141 R145 | E141-R143 PolarHBondContact O-N 3.2Å; R143-R145 PolarHBondContact O-N 2.94Å; R143-R145 VanDerWaalsContact O-N 3.08Å | ||
| 144 | N | 49.4 | Very low | 39 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -52.1 | 110.8 | 174.6 | -66.8 | -37.9 | 0 | 0 | 0 | 111.4 | ||||
| 145 | R | 36.8 | Very low | 39.6 | Very low | 237 Ų | 237 | 152.5 Ų | 152.5 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -100.6 | 116.8 | 174.9 | -163.4 | 170.3 | -170.7 | 154.6 | 2.1 | 109.2 | R143 V147 | R143-R145 PolarHBondContact O-N 2.94Å; R143-R145 VanDerWaalsContact O-N 3.08Å; R145-V147 PolarHBondContact O-N 3.45Å | ||
| 146 | S | 40.9 | Very low | 40.1 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -62.9 | 126.2 | -174.7 | 41.9 | 0 | 0 | 0 | 0 | 112.2 | K148 | S146-K148 PolarHBondContact O-N 3.39Š| ||
| 147 | V | 39.8 | Very low | 41.1 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 95.4 | 175 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | R145 V149 | R145-V147 PolarHBondContact O-N 3.45Å; V147-V149 HydrophobicContact CG1-CG2 4.17Å; V147-V149 PolarHBondContact O-N 3.45Å | ||
| 148 | K | 45.6 | Very low | 41.8 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -82.7 | 90.9 | 171.1 | -168 | 171.8 | -172.8 | 174.3 | 0 | 109.3 | S146 I150 | S146-K148 PolarHBondContact O-N 3.39Å; K148-I150 PolarHBondContact O-N 3.35Å; K148-I150 VanDerWaalsContact O-N 3.09Å | ||
| 149 | V | 45.4 | Very low | 42.3 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -56.5 | 114.4 | 172.2 | -179.8 | 0 | 0 | 0 | 0 | 109 | V147 C151 | V147-V149 HydrophobicContact CG1-CG2 4.17Å; V147-V149 PolarHBondContact O-N 3.45Å; V149-C151 PolarHBondContact O-N 2.88Å | ||
| 150 | I | 42.6 | Very low | 43.5 | Very low | 138 Ų | 138 | 140 Ų | 140 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | -89.2 | 98.7 | 171.7 | -58.4 | 179.1 | 0 | 0 | 0 | 107 | K148 L152 | K148-I150 PolarHBondContact O-N 3.35Å; K148-I150 VanDerWaalsContact O-N 3.09Å; I150-L152 PolarHBondContact O-N 2.86Å | ||
| 151 | C | 41.4 | Very low | 44 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | trans | -61.3 | 110.5 | 169.1 | -60.6 | 0 | 0 | 0 | 0 | 108.9 | V149 G153 | V149-C151 PolarHBondContact O-N 2.88Å; C151-G153 VanDerWaalsContact C-N 3.3Å; C151-G153 PolarHBondContact O-N 2.64Å | ||
| 152 | L | 44.8 | Very low | 44.8 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -67.6 | 90.9 | 171.4 | -66.6 | 178 | 0 | 0 | 0 | 108.5 | I150 S154 | I150-L152 PolarHBondContact O-N 2.86Å; L152-S154 PolarHBondContact O-N 3.07Å | ||
| 153 | G | 46 | Very low | 45.1 | Very low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -55.5 | 128 | -173 | 0 | 0 | 0 | 0 | 0 | 112.4 | C151 L155 | C151-G153 VanDerWaalsContact C-N 3.3Å; C151-G153 PolarHBondContact O-N 2.64Å; G153-L155 PolarHBondContact O-N 2.96Å | ||
| 154 | S | 50.4 | Low | 46 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | trans | -48.2 | 122.8 | -169.9 | 179 | 0 | 0 | 0 | 0 | 113.4 | L152 A156 S157 | L152-S154 PolarHBondContact O-N 3.07Å; S154-A156 PolarHBondContact O-N 3.5Å; S154-A156 VanDerWaalsContact O-N 3.08Å; S154-S157 PolarHBondContact O-N 3.26Å | ||
| 155 | L | 48.6 | Very low | 46.1 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -24.1 | -176.3 | -73 | 166.2 | 0 | 0 | 0 | 113.1 | G153 S157 K158 | G153-L155 PolarHBondContact O-N 2.96Å; L155-S157 PolarHBondContact O-N 3.49Å; L155-S157 VanDerWaalsContact O-N 3.13Å; L155-K158 PolarHBondContact O-N 2.84Å; L155-K158 VanDerWaalsContact O-N 3.16Å |
| 156 | A | 44.1 | Very low | 46.8 | Very low | 65 Ų | 65 | 126 Ų | 126 | 54% | 0.537 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -51.9 | -35 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S154 K158 L159 | S154-A156 PolarHBondContact O-N 3.5Å; S154-A156 VanDerWaalsContact O-N 3.08Å; A156-K158 PolarHBondContact O-N 2.92Å; A156-L159 PolarHBondContact O-N 3.33Å |
| 157 | S | 48.5 | Very low | 47.2 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -65.9 | -19.4 | -176.4 | -167 | 0 | 0 | 0 | 0 | 114.2 | S154 L155 | S154-S157 PolarHBondContact O-N 3.26Å; L155-S157 PolarHBondContact O-N 3.49Å; L155-S157 VanDerWaalsContact O-N 3.13Å |
| 158 | K | 44.9 | Very low | 47.6 | Very low | 175 Ų | 175 | 127.9 Ų | 127.9 | 76% | 0.761 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -93.9 | -16.3 | 179.2 | -73.4 | -174.1 | 178.6 | 176.5 | 0 | 114.5 | L155 A156 | L155-K158 PolarHBondContact O-N 2.84Å; L155-K158 VanDerWaalsContact O-N 3.16Å; A156-K158 PolarHBondContact O-N 2.92Å |
| 159 | L | 43.2 | Very low | 47.8 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -78 | -40.1 | 175.6 | -65 | 177.3 | 0 | 0 | 0 | 112.2 | A156 R161 K162 Y163 | A156-L159 PolarHBondContact O-N 3.33Å; L159-R161 PolarHBondContact O-N 3.12Å; L159-R161 VanDerWaalsContact O-N 3.1Å; L159-K162 PolarHBondContact O-N 2.89Å; L159-Y163 PolarHBondContact O-N 3.32Å |
| 160 | S | 56.3 | Low | 48.1 | Very low | 72 Ų | 72 | 122.7 Ų | 122.7 | 50% | 0.503 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -48 | -41.1 | 177.7 | 168.2 | 0 | 0 | 0 | 0 | 113.5 | K162 Y163 V164 | S160-K162 VanDerWaalsContact C-N 3.29Å; S160-K162 PolarHBondContact O-N 3.31Å; S160-Y163 PolarHBondContact O-N 3.4Å; S160-V164 PolarHBondContact O-N 3.26Å |
| 161 | R | 47.4 | Very low | 48.2 | Very low | 191 Ų | 191 | 121.4 Ų | 121.4 | 72% | 0.721 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.3 | -15.2 | -177.2 | -112.4 | 176.1 | -75.6 | -143.8 | -4.3 | 115.4 | L159 | L159-R161 PolarHBondContact O-N 3.12Å; L159-R161 VanDerWaalsContact O-N 3.1Å |
| 162 | K | 47.9 | Very low | 48.5 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 75% | 0.752 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -84.9 | -42.3 | 167.5 | -83.8 | -170.5 | 171.9 | -174.1 | 0 | 111.6 | L159 S160 V164 K165 A166 | L159-K162 PolarHBondContact O-N 2.89Å; S160-K162 VanDerWaalsContact C-N 3.29Å; S160-K162 PolarHBondContact O-N 3.31Å; K162-V164 PolarHBondContact O-N 3.22Å; K162-K165 PolarHBondContact O-N 2.88Å; K162-K165 VanDerWaalsContact O-N 3.15Å; K162-A166 PolarHBondContact O-N 2.96Å; K162-A166 VanDerWaalsContact O-N 3.14Å |
| 163 | Y | 49.6 | Very low | 48.5 | Very low | 175 Ų | 175 | 122.7 Ų | 122.7 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.6 | -48.1 | -176.5 | -171.5 | -109.6 | 0 | 0 | 0 | 112.8 | L159 S160 K165 A166 K167 | L159-Y163 PolarHBondContact O-N 3.32Å; S160-Y163 PolarHBondContact O-N 3.4Å; Y163-K165 PolarHBondContact O-N 3.5Å; Y163-A166 PolarHBondContact O-N 3.24Å; Y163-A166 VanDerWaalsContact O-N 3.14Å; Y163-K167 PolarHBondContact O-N 3.31Å |
| 164 | V | 52.8 | Low | 48.4 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 56% | 0.564 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.3 | -31 | 177.8 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | S160 K162 K168 | S160-V164 PolarHBondContact O-N 3.26Å; K162-V164 PolarHBondContact O-N 3.22Å; V164-K168 PolarHBondContact O-N 3.3Å |
| 165 | K | 50.4 | Low | 47.9 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 77% | 0.765 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -80.1 | -26.4 | -179.8 | -146.9 | 179 | -174.8 | -173.2 | 0 | 113.2 | K162 Y163 | K162-K165 PolarHBondContact O-N 2.88Å; K162-K165 VanDerWaalsContact O-N 3.15Å; Y163-K165 PolarHBondContact O-N 3.5Å |
| 166 | A | 51.3 | Low | 47.4 | Very low | 52 Ų | 52 | 135.7 Ų | 135.7 | 43% | 0.43 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -80.7 | -37.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K162 Y163 K168 S169 | K162-A166 PolarHBondContact O-N 2.96Å; K162-A166 VanDerWaalsContact O-N 3.14Å; Y163-A166 PolarHBondContact O-N 3.24Å; Y163-A166 VanDerWaalsContact O-N 3.14Å; A166-K168 VanDerWaalsContact C-N 3.34Å; A166-K168 PolarHBondContact O-N 3.16Å; A166-S169 PolarHBondContact O-N 3.4Å; A166-S169 PolarHBondContact O-OG 3.42Å |
| 167 | K | 51.2 | Low | 46.8 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 50% | 0.496 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -64.7 | -39.5 | 176.4 | -166.7 | 176.2 | 179 | -178.4 | 0 | 112 | Y163 S169 I170 D171 | Y163-K167 PolarHBondContact O-N 3.31Å; K167-S169 PolarHBondContact O-N 2.97Å; K167-I170 PolarHBondContact O-N 3.43Å; K167-D171 PolarHBondContact O-N 3.28Å |
| 168 | K | 47.9 | Very low | 46 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 74% | 0.735 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 4.4 | 178.8 | -149.3 | 171.9 | -174.2 | 175.2 | 0 | 115.1 | V164 A166 | V164-K168 PolarHBondContact O-N 3.3Å; A166-K168 VanDerWaalsContact C-N 3.34Å; A166-K168 PolarHBondContact O-N 3.16Å |
| 169 | S | 49.2 | Very low | 45.5 | Very low | 72 Ų | 72 | 135 Ų | 135 | 50% | 0.503 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.4 | 3 | 166.9 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | A166 K167 | A166-S169 PolarHBondContact O-N 3.4Å; A166-S169 PolarHBondContact O-OG 3.42Å; K167-S169 PolarHBondContact O-N 2.97Å |
| 170 | I | 52.2 | Low | 44.9 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 61% | 0.605 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -38.8 | 172 | -65 | 169.8 | 0 | 0 | 0 | 109.6 | K167 K172 | K167-I170 PolarHBondContact O-N 3.43Å; I170-K172 PolarHBondContact O-N 3.26Å |
| 171 | D | 44.1 | Very low | 44.3 | Very low | 110 Ų | 110 | 136 Ų | 136 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 38.7 | 174 | -48 | -38.1 | 0 | 0 | 0 | 112.8 | K167 | K167-D171 PolarHBondContact O-N 3.28Š|
| 172 | K | 46.8 | Very low | 43.5 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 68% | 0.683 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.1 | -23.7 | -170.1 | -96.7 | -78.8 | 171.8 | -172.2 | 0 | 114.6 | I170 | I170-K172 PolarHBondContact O-N 3.26Š|
| 173 | D | 46.3 | Very low | 42.7 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -109.5 | 7.3 | -174 | -62.4 | -30.7 | 0 | 0 | 0 | 113.3 | ||
| 174 | E | 44.3 | Very low | 41.9 | Very low | 191 Ų | 191 | 128.8 Ų | 128.8 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -113.3 | 21.6 | -176.9 | -149.9 | 169.2 | -131 | 0 | 0 | 113.4 | ||
| 175 | E | 38.8 | Very low | 40.8 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -112.3 | 32.6 | -177.8 | -152.2 | -169.1 | 165.3 | 0 | 0 | 114.4 | ||
| 176 | F | 37.3 | Very low | 39.7 | Very low | 219 Ų | 219 | 130.7 Ų | 130.7 | 96% | 0.961 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -151.5 | 65 | 171.1 | -88.8 | -61.5 | 0 | 0 | 0 | 114.9 | ||
| 177 | A | 33.2 | Very low | 38.5 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | -153.3 | 32.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S179 | A177-S179 PolarHBondContact O-N 3.22Š| ||
| 178 | G | 31.1 | Very low | 37.3 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -83.7 | 103.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 179 | S | 33.4 | Very low | 36.3 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | 178 | 141 | 137.2 | 39.2 | 0 | 0 | 0 | 0 | 113.4 | A177 | A177-S179 PolarHBondContact O-N 3.22Š| ||
| 180 | S | 31.8 | Very low | 35.5 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -113.9 | 153.2 | 159.3 | 175.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 181 | P | 42.7 | Very low | 34.4 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | -136.3 | 166.1 | 123.8 | 37 | -26.9 | 0 | 0 | 0 | 114.2 | |||||
| 182 | Q | 31.9 | Very low | 33.7 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -76.6 | 150.3 | 179.8 | -58.5 | 148.1 | -76.3 | 0 | 0 | 112.3 | ||||
| 183 | S | 29.6 | Very low | 32.9 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | 159.8 | 167.8 | 105.5 | 66.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 184 | S | 33.2 | Very low | 31.9 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 74.5 | 90.7 | 145.5 | -54 | 0 | 0 | 0 | 0 | 122 | ||||
| 185 | K | 29.3 | Very low | 31.2 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | 53.3 | 140.1 | 127.6 | -62.8 | -179.9 | 178 | 179.1 | 0 | 122.5 | |||||
| 186 | S | 27.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 78.6 | 155.5 | 151.7 | -139.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 187 | T | 26.7 | Very low | 30.5 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -154.9 | 147 | 8.9 | -28.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 188 | V | 26.9 | Very low | 30.3 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | 47.7 | 107.8 | 141.9 | 170.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 189 | V | 27.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | 55.9 | 148.2 | 116.6 | 170 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 190 | K | 30.7 | Very low | 30.2 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | 79.2 | 146.3 | 170.4 | -82.4 | 170.5 | 173.3 | -176.1 | 0 | 116.1 | ||||
| 191 | S | 29.6 | Very low | 30.2 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | cis | -177.4 | 159.6 | -15.3 | 45.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 192 | L | 29.7 | Very low | 29.8 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 54.5 | 121 | 150.6 | -88.1 | 82.8 | 0 | 0 | 0 | 118.1 | ||||
| 193 | I | 30.4 | Very low | 29.8 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | 103.8 | 160.4 | 63.8 | -97.3 | 172.8 | 0 | 0 | 0 | 111.4 | |||||
| 194 | D | 25.5 | Very low | 30.1 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | trans | 77.5 | 122.4 | -175.8 | -61 | -45.8 | 0 | 0 | 0 | 115.7 | ||||
| 195 | N | 29.5 | Very low | 30.1 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | 75.7 | 138.5 | 50.8 | -62.6 | -39.7 | 0 | 0 | 0 | 111.7 | |||||
| 196 | S | 28.7 | Very low | 30.2 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | cis | -176.3 | -172.1 | -11.6 | 48.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 197 | S | 31.7 | Very low | 30.2 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 73.1 | 128.1 | -178.8 | 70.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 198 | E | 29 | Very low | 30.3 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | cis | 76.7 | 117.6 | 47.9 | -68.5 | -176.4 | 149.2 | 0 | 0 | 114.2 | ||||
| 199 | I | 33.7 | Very low | 30.4 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | 172.8 | 130.8 | 122 | -89.3 | 161.7 | 0 | 0 | 0 | 111.4 | |||||
| 200 | E | 30.3 | Very low | 30.7 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | trans | 43.9 | 125.7 | 151.5 | -65.2 | 158.4 | -168 | 0 | 0 | 123.8 | ||||
| 201 | D | 30.6 | Very low | 30.9 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | 34.6 | 128.9 | 129.7 | -56.9 | -3.3 | 0 | 0 | 0 | 122.6 | |||||
| 202 | E | 34.8 | Very low | 31.4 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | -155.2 | 143.1 | 129 | -106.2 | -60.1 | 176.5 | 0 | 0 | 110 | |||||
| 203 | D | 31.8 | Very low | 31.8 | Very low | 155 Ų | 155 | 151.5 Ų | 151.5 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -100.2 | 110.5 | -170.9 | -126.1 | -20.4 | 0 | 0 | 0 | 110.3 | ||||
| 204 | Q | 35.7 | Very low | 32 | Very low | 180 Ų | 180 | 151.9 Ų | 151.9 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -125.9 | 114.6 | 174.1 | -77.6 | -171.1 | 34.9 | 0 | 0 | 114.3 | L206 | Q204-L206 PolarHBondContact O-N 2.98Š| ||
| 205 | I | 33.2 | Very low | 32.4 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -64.3 | 123.6 | 175.8 | -60 | 162.7 | 0 | 0 | 0 | 109.9 | ||||
| 206 | L | 32.3 | Very low | 32.5 | Very low | 172 Ų | 172 | 153.8 Ų | 153.8 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -137 | 120 | 162 | -124.3 | 168.9 | 0 | 0 | 0 | 110.9 | Q204 | Q204-L206 PolarHBondContact O-N 2.98Š| ||
| 207 | E | 27.1 | Very low | 32.4 | Very low | 149 Ų | 149 | 156.2 Ų | 156.2 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | trans | -97.5 | 146.8 | -168 | -154.5 | -163.4 | 159.9 | 0 | 0 | 111.3 | ||||
| 208 | N | 27.2 | Very low | 32.2 | Very low | 138 Ų | 138 | 156.9 Ų | 156.9 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | 67 | 127.8 | 174 | -55.2 | -74.3 | 0 | 0 | 0 | 114.7 | ||||
| 209 | S | 29 | Very low | 32.3 | Very low | 117 Ų | 117 | 153.9 Ų | 153.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | -172.4 | 158.9 | 27.3 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 210 | S | 34.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -165.6 | 156.7 | 130.7 | -163.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 211 | Q | 34.3 | Very low | 32.2 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -99.3 | 155.5 | -179.5 | -69.7 | 174.1 | -21.3 | 0 | 0 | 111.4 | E213 | Q211-E213 PolarHBondContact O-N 3.38Š| ||
| 212 | K | 39.6 | Very low | 32 | Very low | 202 Ų | 202 | 154.8 Ų | 154.8 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -73.6 | 121.6 | 170.5 | -66.9 | -176.8 | 177.3 | -176.4 | 0 | 109.8 | ||||
| 213 | E | 38 | Very low | 31.6 | Very low | 176 Ų | 176 | 155.3 Ų | 155.3 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -111.3 | 131 | 157.7 | -71.8 | -159.3 | 134.5 | 0 | 0 | 110.3 | Q211 V215 | Q211-E213 PolarHBondContact O-N 3.38Å; E213-V215 PolarHBondContact O-N 3.26Å | ||
| 214 | N | 35.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | -83 | 97.3 | 177.8 | -70.5 | -21.5 | 0 | 0 | 0 | 109.8 | F216 | N214-F216 PolarHBondContact O-N 3.27Š| ||
| 215 | V | 33.5 | Very low | 30.9 | Very low | 128 Ų | 128 | 154 Ų | 154 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -80.2 | 97.3 | 174.1 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | E213 K217 | E213-V215 PolarHBondContact O-N 3.26Å; V215-K217 PolarHBondContact O-N 2.88Å | ||
| 216 | F | 31 | Very low | 30.7 | Very low | 181 Ų | 181 | 153.3 Ų | 153.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -66.6 | 110.4 | 163.3 | -86.9 | -89.6 | 0 | 0 | 0 | 109.7 | N214 C218 | N214-F216 PolarHBondContact O-N 3.27Å; F216-C218 PolarHBondContact O-N 2.99Å | ||
| 217 | K | 26.3 | Very low | 30.8 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | -94 | 81.2 | 175 | -167.6 | 173 | -172.8 | -72 | 0 | 110.4 | V215 D219 | V215-K217 PolarHBondContact O-N 2.88Å; K217-D219 IonicContact NZ-OD1 2.65Å; K217-D219 PolarHBondContact NZ-OD1 3.48Å; K217-D219 IonicContact NZ-OD2 2.67Å; K217-D219 PolarHBondContact NZ-OD2 2.93Å; K217-D219 PolarHBondContact O-N 3.32Å | ||
| 218 | C | 29.2 | Very low | 30.7 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -72.1 | 92.7 | 165.9 | -64.7 | 0 | 0 | 0 | 0 | 109 | F216 S220 | F216-C218 PolarHBondContact O-N 2.99Å; C218-S220 PolarHBondContact O-N 3.37Å | ||
| 219 | D | 29.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 63% | 0.626 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 118.3 | 167.8 | -78.5 | -39.9 | 0 | 0 | 0 | 109.4 | K217 L221 | K217-D219 IonicContact NZ-OD1 2.65Å; K217-D219 PolarHBondContact NZ-OD1 3.48Å; K217-D219 IonicContact NZ-OD2 2.67Å; K217-D219 PolarHBondContact NZ-OD2 2.93Å; K217-D219 PolarHBondContact O-N 3.32Å; D219-L221 PolarHBondContact O-N 2.86Å |
| 220 | S | 32.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 156.8 Ų | 156.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 122.2 | -176.1 | -53.4 | 0 | 0 | 0 | 0 | 112 | C218 K222 | C218-S220 PolarHBondContact O-N 3.37Å; S220-K222 PolarHBondContact O-N 3.43Å |
| 221 | L | 30 | Very low | 30.4 | Very low | 172 Ų | 172 | 156.4 Ų | 156.4 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 129.4 | 161.3 | -70.9 | 172.2 | 0 | 0 | 0 | 109 | D219 | D219-L221 PolarHBondContact O-N 2.86Š|
| 222 | K | 28 | Very low | 30 | Very low | 201 Ų | 201 | 157.7 Ų | 157.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -89.4 | 107.6 | 164.9 | -71.3 | -173.8 | 177.5 | -174.3 | 0 | 107.5 | S220 | S220-K222 PolarHBondContact O-N 3.43Š| ||
| 223 | E | 26.5 | Very low | 29.4 | Very low | 185 Ų | 185 | 157.4 Ų | 157.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -85.1 | 115.5 | 172 | -168.2 | 162.8 | -149.2 | 0 | 0 | 108.6 | C225 | E223-C225 PolarHBondContact O-N 2.9Å; E223-C225 VanDerWaalsContact O-N 3.09Å | ||
| 224 | E | 26.9 | Very low | 29 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -79.1 | 87.9 | 177.2 | -78.1 | -174 | 128.7 | 0 | 0 | 110.1 | ||||
| 225 | C | 25.1 | Very low | 28.8 | Very low | 115 Ų | 115 | 156.1 Ų | 156.1 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 120.9 | 171.1 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | E223 | E223-C225 PolarHBondContact O-N 2.9Å; E223-C225 VanDerWaalsContact O-N 3.09Å |
| 226 | I | 28.4 | Very low | 28.7 | Very low | 151 Ų | 151 | 157.6 Ų | 157.6 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 130.3 | 176.4 | -60.8 | 174.7 | 0 | 0 | 0 | 108.9 | ||
| 227 | P | 33.7 | Very low | 28.7 | Very low | 119 Ų | 119 | 156 Ų | 156 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84 | 122.7 | -176.7 | -6 | 23.9 | 0 | 0 | 0 | 112.4 | ||
| 228 | E | 26.6 | Very low | 28.7 | Very low | 192 Ų | 192 | 156.5 Ų | 156.5 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 139.1 | 161.2 | -67.8 | -168 | 148.4 | 0 | 0 | 110.9 | ||
| 229 | H | 28.8 | Very low | 28.8 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -100 | 119.4 | -175.1 | 179.3 | -84.7 | 0 | 0 | 0 | 111.4 | ||
| 230 | M | 25.5 | Very low | 28.8 | Very low | 157 Ų | 157 | 157.5 Ų | 157.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -70.3 | 175.2 | 175.3 | -69.6 | -170.1 | 72.3 | 0 | 0 | 113.2 | ||||
| 231 | V | 29.3 | Very low | 28.7 | Very low | 111 Ų | 111 | 155.9 Ų | 155.9 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | trans | 76.8 | 124.6 | 163.5 | -174.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 232 | R | 27.1 | Very low | 29.1 | Very low | 207 Ų | 207 | 154.3 Ų | 154.3 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | cis | -172.3 | 138.9 | -4.2 | 155.1 | -165.3 | -58.3 | -158.6 | 1 | 108.6 | ||||
| 233 | E | 26.3 | Very low | 29.3 | Very low | 195 Ų | 195 | 153.7 Ų | 153.7 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -153.6 | 176.4 | 138.9 | -126.5 | 162.6 | -152.6 | 0 | 0 | 112.1 | ||||
| 234 | S | 30.5 | Very low | 29.5 | Very low | 99 Ų | 99 | 148.2 Ų | 148.2 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -137.8 | 150 | -152.1 | -50.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 235 | K | 31.1 | Very low | 29.6 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | trans | 88.5 | 154.4 | 142.7 | -148.5 | -174.4 | -174.4 | -174.7 | 0 | 117.8 | ||||
| 236 | I | 31.6 | Very low | 30 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | 92.5 | 152 | 168.7 | -52.6 | 179.1 | 0 | 0 | 0 | 114.5 | ||||
| 237 | M | 29.1 | Very low | 29.9 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | -120.7 | 176.6 | -153.1 | -81.8 | 166.5 | 41.2 | 0 | 0 | 112.8 | ||||
| 238 | E | 28.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 72.5 | 122.5 | 162.8 | -75.6 | 156.2 | -156.1 | 0 | 0 | 114.8 | ||||
| 239 | A | 30.9 | Very low | 29.5 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | 79.1 | 148.3 | 62.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 240 | E | 28.7 | Very low | 29.6 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | cis | -155 | 158.3 | 8.3 | -156 | -154.3 | 103.2 | 0 | 0 | 110 | ||||
| 241 | S | 30.8 | Very low | 29.8 | Very low | 80 Ų | 80 | 143.9 Ų | 143.9 | 56% | 0.559 | 74% | 0.739 | S | S | * | * | trans | 62.1 | 174.1 | 152.3 | -85.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 242 | Q | 36.9 | Very low | 29.8 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | cis | -160.2 | 149.2 | -38.1 | -113.6 | 179.1 | 73.9 | 0 | 0 | 108.4 | ||||
| 243 | K | 32.8 | Very low | 29.9 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | 62.2 | 169.1 | 154.6 | -72.6 | -176.4 | 174.4 | 174.8 | 0 | 117.9 | ||||
| 244 | A | 30.7 | Very low | 30.1 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 58% | 0.579 | 75% | 0.745 | S | S | * | * | cis | -168.5 | 161 | -36.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 245 | T | 29.9 | Very low | 30.5 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 61.9 | 136 | 144.1 | 43.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 246 | R | 31.9 | Very low | 30.3 | Very low | 203 Ų | 203 | 134 Ų | 134 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | 74.5 | 155.5 | 142.8 | -69.6 | 165.4 | -178.1 | -111.7 | 5.8 | 116.3 | ||||
| 247 | E | 26.6 | Very low | 30.2 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | cis | -146.4 | 178.6 | 3.8 | -147.3 | 123.5 | -127.1 | 0 | 0 | 113.9 | ||||
| 248 | C | 26.1 | Very low | 30.5 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | -49.8 | 168 | 158.3 | -139.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 249 | E | 26.9 | Very low | 30.6 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | cis | -162.7 | -171.2 | 37.6 | -170.7 | 146.6 | -152.5 | 0 | 0 | 113.4 | ||||
| 250 | K | 31.4 | Very low | 30.6 | Very low | 165 Ų | 165 | 136 Ų | 136 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | -78.9 | 155.3 | -167.7 | -46.1 | 131.7 | -173.6 | 147.3 | 0 | 114.4 | ||||
| 251 | S | 29.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 92% | 0.923 | 75% | 0.753 | S | S | * | * | trans | -158.4 | 167.2 | 139.3 | -85.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 252 | A | 28 | Very low | 30.6 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | -120.9 | -177.2 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 253 | L | 31 | Very low | 30.4 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | 100.3 | 133.1 | 170.6 | -53.5 | 178.8 | 0 | 0 | 0 | 117.2 | ||||
| 254 | T | 28.7 | Very low | 30 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | -92.5 | 177.9 | -179.4 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 255 | P | 39.8 | Very low | 29.8 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | cis | -129.4 | 166.4 | 3.1 | 40.1 | -24.4 | 0 | 0 | 0 | 115.8 | ||||
| 256 | G | 26.6 | Very low | 30 | Very low | 76 Ų | 76 | 139.7 Ų | 139.7 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -167.6 | 121.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 257 | F | 29.4 | Very low | 30.5 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -58 | 152.8 | -169.3 | -73.8 | -97.5 | 0 | 0 | 0 | 118.1 | ||||
| 258 | S | 35.3 | Very low | 30.6 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 68.3 | 146.8 | 143.3 | 70.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 259 | D | 31.7 | Very low | 30.7 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | cis | -163.4 | 174.6 | -21.3 | -116.5 | -50.2 | 0 | 0 | 0 | 111.7 | ||||
| 260 | N | 31.2 | Very low | 30.9 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 93.6 | 98.5 | 168 | -53.6 | -73.2 | 0 | 0 | 0 | 118.2 | ||||
| 261 | A | 28.6 | Very low | 30.6 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -158.8 | 118 | 139.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 262 | I | 29.9 | Very low | 30.4 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | 67 | 120 | 135.9 | -61.5 | 171.7 | 0 | 0 | 0 | 120.2 | ||||
| 263 | M | 31.9 | Very low | 30.4 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | 64.1 | 146.8 | 157.5 | -77.7 | -174.5 | 171.8 | 0 | 0 | 117.8 | ||||
| 264 | L | 25.5 | Very low | 30.3 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | -165.6 | 156.3 | 74.6 | -89 | 171.4 | 0 | 0 | 0 | 114.8 | |||||
| 265 | F | 26 | Very low | 30.3 | Very low | 186 Ų | 186 | 140 Ų | 140 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | 62 | 155.6 | 152.7 | -63.4 | -48.2 | 0 | 0 | 0 | 123.2 | ||||
| 266 | S | 35 | Very low | 29.7 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -62.5 | 178.1 | 170.3 | -37.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 267 | P | 41.8 | Very low | 29.9 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | -140.1 | -175.2 | 96.7 | 40.1 | -28.2 | 0 | 0 | 0 | 114.4 | |||||
| 268 | D | 28.5 | Very low | 29.8 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -126.8 | 176.3 | -174.5 | -165.6 | 2 | 0 | 0 | 0 | 110.1 | ||||
| 269 | F | 29.3 | Very low | 29.4 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | 68.8 | 107.8 | 170.5 | -81.3 | -95 | 0 | 0 | 0 | 120.8 | ||||
| 270 | T | 30.1 | Very low | 29.4 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 30.4 | 128.2 | 131 | 65.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 271 | L | 25.8 | Very low | 29.2 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | -161.1 | 109.9 | 124.7 | -163.9 | 59.7 | 0 | 0 | 0 | 115.4 | |||||
| 272 | R | 23.9 | Very low | 29.4 | Very low | 206 Ų | 206 | 142 Ų | 142 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | 24.5 | 126.5 | 135.6 | 178 | -174.5 | -85 | -143.6 | -2.7 | 121.2 | ||||
| 273 | N | 29.3 | Very low | 29.6 | Very low | 127 Ų | 127 | 142 Ų | 142 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | 104.4 | 124 | 137.2 | -85.6 | 6.8 | 0 | 0 | 0 | 125 | ||||
| 274 | T | 27.6 | Very low | 29.6 | Very low | 102 Ų | 102 | 140 Ų | 140 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | 77.7 | 103.4 | 130.3 | 57.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 275 | L | 29.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | 78.1 | 148.9 | 114.9 | -67.2 | 172.4 | 0 | 0 | 0 | 122.6 | |||||
| 276 | K | 28.1 | Very low | 30 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 76.4 | 128.5 | 171.2 | -58.1 | -177.1 | -179.4 | 179.6 | 0 | 116.4 | ||||
| 277 | S | 29.8 | Very low | 29.7 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | 111.5 | 106.5 | 5.3 | 78.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 278 | T | 26.5 | Very low | 29 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | trans | -153 | 130.5 | 157.9 | 37.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 279 | S | 28.3 | Very low | 29.3 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | 56.2 | 133.8 | 98.9 | -93.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 280 | E | 30.7 | Very low | 29.2 | Very low | 167 Ų | 167 | 149 Ų | 149 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | cis | -161.6 | 155.2 | 13.4 | -146.8 | 148.8 | -97 | 0 | 0 | 113.1 | ||||
| 281 | D | 28.1 | Very low | 29 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | 51.1 | 159.5 | 154.6 | -113.6 | -6.3 | 0 | 0 | 0 | 121.6 | ||||
| 282 | S | 32.1 | Very low | 29 | Very low | 81 Ų | 81 | 150 Ų | 150 | 57% | 0.566 | 78% | 0.779 | S | S | * | * | cis | -155.4 | 170.7 | 5 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 283 | L | 33.3 | Very low | 29.3 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 57 | 97.9 | 159.3 | -67 | 164.5 | 0 | 0 | 0 | 117.7 | ||||
| 284 | V | 32.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 66.6 | 108.4 | 61.5 | -174.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 285 | K | 31.7 | Very low | 29.4 | Very low | 215 Ų | 215 | 150.6 Ų | 150.6 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | trans | -149.8 | 134.6 | 130.7 | -117.5 | 178.9 | -176.6 | -176.6 | 0 | 110.6 | ||||
| 286 | Q | 29.4 | Very low | 29.4 | Very low | 174 Ų | 174 | 154 Ų | 154 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -131.8 | 140.7 | -177.8 | 174 | -172.1 | 5.1 | 0 | 0 | 107.7 | ||||
| 287 | E | 27.2 | Very low | 29.3 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -146.1 | 145.4 | 160.3 | -156.2 | 158.2 | -135.4 | 0 | 0 | 110.4 | ||||
| 288 | C | 27.4 | Very low | 29.3 | Very low | 99 Ų | 99 | 152.9 Ų | 152.9 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -156.7 | 149.1 | -174.9 | -164.4 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 289 | I | 34.2 | Very low | 29.3 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | -177.2 | 145.5 | 67.1 | -69.1 | 154 | 0 | 0 | 0 | 105.5 | |||||
| 290 | K | 28.2 | Very low | 29.1 | Very low | 213 Ų | 213 | 155.9 Ų | 155.9 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | -176.6 | 151.4 | 128.1 | -101.4 | 168.1 | -174.6 | 179.1 | 0 | 114.4 | |||||
| 291 | E | 24.9 | Very low | 29 | Very low | 162 Ų | 162 | 152 Ų | 152 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -133.3 | 139.7 | -164.2 | 171.9 | -172.2 | -177.3 | 0 | 0 | 108.9 | ||||
| 292 | V | 27.8 | Very low | 29 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -142.6 | 84.3 | 166.7 | -174 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 293 | V | 30 | Very low | 28.7 | Very low | 103 Ų | 103 | 155.6 Ų | 155.6 | 62% | 0.624 | 79% | 0.785 | S | S | * | * | trans | 24.3 | 130.2 | 132.7 | -173.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 294 | E | 28.6 | Very low | 28.4 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | 68.2 | 136.7 | 161.3 | -80.3 | -170.4 | 176.6 | 0 | 0 | 119.2 | ||||
| 295 | K | 29.7 | Very low | 28.3 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | cis | -141.6 | 176.6 | 35.7 | -127.1 | 154.7 | -162.1 | 173.6 | 0 | 115.1 | ||||
| 296 | R | 28.6 | Very low | 28.1 | Very low | 228 Ų | 228 | 153.4 Ų | 153.4 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -90.2 | 150.2 | -172.3 | -57 | 174 | 177.4 | -176.9 | -2.7 | 113.9 | ||||
| 297 | E | 27.5 | Very low | 28 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | 179.5 | 115.1 | 120 | -93.9 | 160.3 | 171 | 0 | 0 | 107.5 | |||||
| 298 | A | 28.1 | Very low | 28.1 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | 67.1 | 120.1 | 79.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 299 | C | 26.3 | Very low | 28.1 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | cis | -149.8 | 154.4 | -5.9 | -73 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 300 | H | 25.1 | Very low | 28.2 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | cis | 63.1 | 127.6 | 44 | -154.5 | 74 | 0 | 0 | 0 | 113.8 | ||||
| 301 | C | 28.1 | Very low | 28.3 | Very low | 84 Ų | 84 | 144 Ų | 144 | 57% | 0.568 | 76% | 0.763 | S | S | * | * | cis | -161.7 | 166 | -23.1 | -126 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 302 | E | 28.2 | Very low | 28.5 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | 48.3 | 148.2 | 126.8 | -145 | 153 | -160.1 | 0 | 0 | 123.8 | |||||
| 303 | E | 26.6 | Very low | 28.6 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | trans | -36.3 | 152.4 | 173.6 | -154.7 | -165.5 | 135.3 | 0 | 0 | 117.9 | K305 | E303-K305 IonicContact OE1-NZ 3.57Š| ||
| 304 | V | 26.9 | Very low | 28.6 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | -179.8 | 140.7 | 119.1 | 150.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 305 | K | 29.2 | Very low | 28.6 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -37.6 | 148.8 | 174.6 | -79.8 | 157.7 | -177.2 | 140.7 | 0 | 123.1 | E303 | E303-K305 IonicContact OE1-NZ 3.57Š| ||
| 306 | M | 27.4 | Very low | 28.6 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | 93.4 | 125.8 | 129.2 | -73.3 | -86.3 | -76 | 0 | 0 | 124.2 | |||||
| 307 | T | 27.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | trans | 62.8 | 136.1 | 145.9 | 56.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 308 | V | 29.4 | Very low | 29 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | -165.5 | 140.8 | 65.2 | 160.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 309 | A | 27.8 | Very low | 29.4 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | trans | 16.9 | 148.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 310 | S | 35.8 | Very low | 29.8 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | 102.9 | 124.2 | 136.5 | -66.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 311 | E | 31 | Very low | 30.2 | Very low | 190 Ų | 190 | 131 Ų | 131 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | 63.7 | 144.7 | 146.9 | -65.8 | -164.8 | 126.2 | 0 | 0 | 121.4 | ||||
| 312 | A | 30.1 | Very low | 30.4 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | cis | -168.4 | 167.9 | -15.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 313 | K | 30.1 | Very low | 30.4 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | 86.1 | 146 | 144.9 | -132.3 | 169.9 | -170.9 | 170.8 | 0 | 120.7 | ||||
| 314 | I | 29.6 | Very low | 30.9 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | trans | 88.6 | 129.2 | 170.7 | -63.7 | 170.7 | 0 | 0 | 0 | 114.8 | ||||
| 315 | Q | 28 | Very low | 31.3 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | cis | -147.7 | 150.3 | -13.3 | -110.7 | 177.8 | -63.9 | 0 | 0 | 109 | ||||
| 316 | L | 29.3 | Very low | 31.6 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | 45.5 | 134.4 | 89.3 | -53 | -178.8 | 0 | 0 | 0 | 115.5 | |||||
| 317 | S | 33.3 | Very low | 31.9 | Very low | 79 Ų | 79 | 123.7 Ų | 123.7 | 55% | 0.552 | 73% | 0.725 | S | S | * | * | cis | -168.7 | 150.1 | 0.6 | -118.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 318 | D | 32.6 | Very low | 32.2 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 57.2 | 163.3 | 141.3 | -46.2 | -41.6 | 0 | 0 | 0 | 120.7 | ||||
| 319 | S | 36.1 | Very low | 32.4 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | cis | -153.1 | 144.1 | 12.9 | -32.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 320 | E | 34.5 | Very low | 32.5 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | 55.3 | 158.2 | 138.9 | -61.7 | -134.2 | 74.7 | 0 | 0 | 121.7 | K322 | E320-K322 VanDerWaalsContact CD-NZ 3.34Å; E320-K322 WeakPolarHBondContact OE1-CD 3.44Å; E320-K322 WeakPolarHBondContact OE1-CE 3.22Å; E320-K322 IonicContact OE1-NZ 2.65Å; E320-K322 PolarHBondContact OE1-NZ 3.48Å; E320-K322 IonicContact OE2-NZ 3.22Å; E320-K322 PolarHBondContact OE2-NZ 2.77Å | ||
| 321 | A | 32.1 | Very low | 32.7 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | cis | -148.5 | 166.3 | 21.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 322 | K | 32.9 | Very low | 32.7 | Very low | 143 Ų | 143 | 121.6 Ų | 121.6 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | trans | -17.3 | 151.6 | 163 | -68.6 | 104.7 | 177.4 | 174 | 0 | 118.4 | E320 | E320-K322 VanDerWaalsContact CD-NZ 3.34Å; E320-K322 WeakPolarHBondContact OE1-CD 3.44Å; E320-K322 WeakPolarHBondContact OE1-CE 3.22Å; E320-K322 IonicContact OE1-NZ 2.65Å; E320-K322 PolarHBondContact OE1-NZ 3.48Å; E320-K322 IonicContact OE2-NZ 3.22Å; E320-K322 PolarHBondContact OE2-NZ 2.77Å | ||
| 323 | S | 27.8 | Very low | 32.4 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | -160.8 | 143.3 | 61.1 | 174.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 324 | H | 38.1 | Very low | 32.4 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | trans | -7.9 | 154.8 | 144.8 | -31.5 | -70.6 | 0 | 0 | 0 | 118.4 | ||||
| 325 | S | 35.2 | Very low | 32.4 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | cis | -172.6 | 169 | 26.1 | 45 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 326 | S | 36.2 | Very low | 32.7 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | cis | 178.9 | 159.2 | -16.5 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 327 | A | 32.2 | Very low | 32.7 | Very low | 81 Ų | 81 | 121.7 Ų | 121.7 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | trans | 70.5 | 128.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 328 | D | 34.6 | Very low | 32.5 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | 78.7 | 136.6 | 53.9 | -52.4 | -34.7 | 0 | 0 | 0 | 112 | |||||
| 329 | D | 32.6 | Very low | 32.5 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | cis | -153.4 | -178.4 | 7.5 | -155.2 | -5 | 0 | 0 | 0 | 112.7 | ||||
| 330 | A | 31 | Very low | 32.6 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 66% | 0.661 | 73% | 0.725 | S | S | * | * | trans | -12.6 | 161.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 331 | S | 39.1 | Very low | 32.6 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | cis | -172.5 | 169 | 34.8 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 332 | A | 31.4 | Very low | 32.6 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | 66.9 | 159.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 333 | W | 23.8 | Very low | 32.5 | Very low | 225 Ų | 225 | 128 Ų | 128 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | cis | -165.7 | 102.8 | -33.7 | -173.2 | -65.6 | 0 | 0 | 0 | 110.1 | ||||
| 334 | S | 30.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | trans | 53.3 | 160.8 | 151.3 | -43.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 335 | N | 28.6 | Very low | 32.5 | Very low | 130 Ų | 130 | 128 Ų | 128 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | trans | 102 | 106.9 | 139.2 | -75.6 | -7.9 | 0 | 0 | 0 | 123.3 | ||||
| 336 | I | 34.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | 86.5 | 130.2 | 114.8 | -72.4 | 171.2 | 0 | 0 | 0 | 121.2 | |||||
| 337 | Q | 30.1 | Very low | 32.1 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | trans | 65.6 | 154.8 | 155.9 | -88 | 170.5 | -51.1 | 0 | 0 | 119.3 | ||||
| 338 | E | 28 | Very low | 32.2 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | cis | -153.2 | 177.5 | -13.4 | -155.1 | 146.1 | -131.1 | 0 | 0 | 109.7 | ||||
| 339 | A | 33.6 | Very low | 32.2 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | trans | -115 | 152 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 340 | P | 37.6 | Very low | 32.2 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | trans | -123.5 | 161.9 | 150.3 | 28.9 | -13.3 | 0 | 0 | 0 | 112.7 | ||||
| 341 | L | 35.7 | Very low | 32.6 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | -109.9 | 161.8 | -177.9 | -70.2 | 164.4 | 0 | 0 | 0 | 111.9 | ||||
| 342 | Q | 32.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 136 Ų | 136 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | 117.8 | 131.1 | 127 | -162.8 | 151.8 | -0.1 | 0 | 0 | 119.2 | |||||
| 343 | D | 30.7 | Very low | 32.9 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 47.4 | 128.1 | 158.9 | -68.1 | -34.7 | 0 | 0 | 0 | 121.9 | ||||
| 344 | D | 29.9 | Very low | 33.3 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | -155.2 | -177.3 | 102.5 | -140.5 | -39.5 | 0 | 0 | 0 | 111.8 | |||||
| 345 | S | 35.6 | Very low | 33.8 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | trans | -101.6 | 143.8 | -141 | 43.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 346 | C | 28 | Very low | 34.1 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 26.6 | 129 | 143.5 | -53 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 347 | L | 33.9 | Very low | 34.2 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | 172.8 | 157.4 | 99.2 | -94 | 179.2 | 0 | 0 | 0 | 115.6 | |||||
| 348 | N | 35.5 | Very low | 34.9 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | 83 | 138.8 | 157.4 | -61 | -32.6 | 0 | 0 | 0 | 121.5 | ||||
| 349 | N | 35.2 | Very low | 35.4 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -68 | 152 | -176.2 | -39.2 | -53.6 | 0 | 0 | 0 | 113.7 | ||||
| 350 | D | 31.6 | Very low | 35.2 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | -172.5 | 153.8 | 101.3 | -92.3 | -21.5 | 0 | 0 | 0 | 111.6 | |||||
| 351 | I | 40.4 | Very low | 35.5 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -104.1 | 128.9 | 176.7 | -63.1 | 172.6 | 0 | 0 | 0 | 109.6 | ||||
| 352 | P | 38.2 | Very low | 35.6 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | trans | -130.5 | 131.7 | 134.4 | 9.3 | 12 | 0 | 0 | 0 | 112.3 | S354 | P352-S354 PolarHBondContact O-N 2.73Š| ||
| 353 | H | 38.1 | Very low | 35.7 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | -56.5 | 125.6 | 165.5 | -71.2 | -91 | 0 | 0 | 0 | 110.2 | ||||
| 354 | S | 31.1 | Very low | 35.9 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -120.7 | 115.6 | 176.8 | -64 | 0 | 0 | 0 | 0 | 110.4 | P352 | P352-S354 PolarHBondContact O-N 2.73Š| ||
| 355 | I | 40.6 | Very low | 35.8 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -74.4 | 136.5 | 170.3 | -63 | 161.5 | 0 | 0 | 0 | 108 | L357 | I355-L357 PolarHBondContact O-N 2.92Š| ||
| 356 | P | 35.1 | Very low | 36.3 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -64.7 | 105.3 | 172.8 | -21.5 | 33.8 | 0 | 0 | 0 | 111.5 | ||||
| 357 | L | 36.4 | Very low | 36.8 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -102.4 | 83.9 | 171 | -176.9 | 67.7 | 0 | 0 | 0 | 109.4 | I355 | I355-L357 PolarHBondContact O-N 2.92Š| ||
| 358 | E | 45.1 | Very low | 37.1 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -73.4 | 125.4 | 169.1 | -84.7 | -61.9 | 139.7 | 0 | 0 | 110.5 | ||||
| 359 | Q | 39.3 | Very low | 37.5 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -150.3 | 106.9 | 179.7 | -173.4 | 165.3 | 12.1 | 0 | 0 | 112.3 | ||||
| 360 | G | 29.8 | Very low | 38.4 | Very low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 151.5 | 55.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 361 | S | 42.6 | Very low | 40.5 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | -143.6 | 139.3 | 152.9 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 362 | S | 38.9 | Very low | 42.6 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -129.1 | 126.1 | -167.5 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 363 | C | 34.8 | Very low | 45.2 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 72% | 0.716 | 73% | 0.73 | S | S | * | * | 170.2 | 128.5 | 128.1 | -93.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 364 | N | 33.1 | Very low | 47.9 | Very low | 164 Ų | 164 | 117 Ų | 117 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | trans | 64.6 | 107.9 | 154 | -55.7 | -31.2 | 0 | 0 | 0 | 119.9 | ||||
| 365 | G | 29 | Very low | 50.9 | Low | 62 Ų | 62 | 112.1 Ų | 112.1 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | trans | 161.3 | 84.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114 | G367 | G365-G367 PolarHBondContact O-N 3.18Š| ||
| 366 | P | 46.5 | Very low | 53.6 | Low | 147 Ų | 147 | 104.8 Ų | 104.8 | 96% | 0.955 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 82.2 | -178.4 | 32.8 | -34.6 | 0 | 0 | 0 | 110.9 | ||
| 367 | G | 38.1 | Very low | 56.5 | Low | 61 Ų | 61 | 104.2 Ų | 104.2 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.9 | 16.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 119 | G365 T369 | G365-G367 PolarHBondContact O-N 3.18Å; G367-T369 PolarHBondContact O-N 3.46Å |
| 368 | Q | 40.7 | Very low | 59.4 | Low | 198 Ų | 198 | 100.7 Ų | 100.7 | 93% | 0.925 | 61% | 0.614 | S | S | * | * | trans | -70.8 | 79.3 | 160.3 | -75.1 | -164.3 | 15.8 | 0 | 0 | 109.3 | T370 | Q368-T370 PolarHBondContact O-N 3.23Š| ||
| 369 | T | 43.3 | Very low | 61.9 | Low | 102 Ų | 102 | 93.3 Ų | 93.3 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | trans | -62.3 | 124 | 163.7 | 52.1 | 0 | 0 | 0 | 0 | 107.9 | G367 G371 | G367-T369 PolarHBondContact O-N 3.46Å; T369-G371 PolarHBondContact O-N 3.25Å | ||
| 370 | T | 54.6 | Low | 64.6 | Low | 89 Ų | 89 | 87 Ų | 87 | 55% | 0.546 | 55% | 0.551 | S | S | . | * | trans | -47.6 | 132.3 | 169.8 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | Q368 H372 | Q368-T370 PolarHBondContact O-N 3.23Å; T370-H372 PolarHBondContact O-N 3.32Å | ||
| 371 | G | 75.3 | Confident | 67.8 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 79% | 0.794 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -68.1 | 19.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | T369 | T369-G371 PolarHBondContact O-N 3.25Š|
| 372 | H | 84.3 | Confident | 70.4 | Confident | 67 Ų | 67 | 85.4 Ų | 85.4 | 31% | 0.31 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -90.7 | 137.3 | 178 | -56.6 | -76.7 | 0 | 0 | 0 | 110.6 | T370 L376 | T370-H372 PolarHBondContact O-N 3.32Å; H372-L376 HydrophobicContact CB-CB 4.43Å; H372-L376 HydrophobicContact CB-CD2 4.05Å; H372-L376 HydrophobicContact CB-CG 4.25Å |
| 373 | P | 92.1 | Very high | 73.2 | Confident | 33 Ų | 33 | 81.9 Ų | 81.9 | 21% | 0.214 | 49% | 0.491 | C | S | . | . | trans | -53.5 | 150.9 | 170.2 | -27.4 | 35.9 | 0 | 0 | 0 | 112.6 | Y375 L376 R377 K416 | P373-Y375 HydrophobicContact CB-CD1 3.7Å; P373-Y375 HydrophobicContact CB-CE1 3.33Å; P373-Y375 HydrophobicContact CB-CE2 4.21Å; P373-Y375 HydrophobicContact CB-CG 4.31Å; P373-Y375 HydrophobicContact CG-CE1 4.03Å; P373-Y375 PolarHBondContact O-N 3Å; P373-L376 PolarHBondContact O-N 3.12Å; P373-R377 PolarHBondContact O-N 3.17Å; P373-K416 HydrophobicContact CG-CD 4.33Å; P373-K416 HydrophobicContact CG-CG 4.34Å | ||
| 374 | Y | 94.4 | Very high | 76.1 | Confident | 150 Ų | 150 | 82.2 Ų | 82.2 | 59% | 0.588 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -52.5 | -37.6 | -174.7 | 77 | -86.1 | 0 | 0 | 0 | 113.1 | R377 S378 | Y374-R377 PolarHBondContact O-N 2.92Å; Y374-S378 PolarHBondContact O-N 3.21Å; Y374-S378 PolarHBondContact O-OG 2.98Å |
| 375 | Y | 94.9 | Very high | 79.1 | Confident | 4 Ų | 4 | 78.6 Ų | 78.6 | 2% | 0.016 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | -178.8 | 58.4 | -103.3 | 0 | 0 | 0 | 112.6 | P373 F379 K416 V419 R420 E438 | P373-Y375 HydrophobicContact CB-CD1 3.7Å; P373-Y375 HydrophobicContact CB-CE1 3.33Å; P373-Y375 HydrophobicContact CB-CE2 4.21Å; P373-Y375 HydrophobicContact CB-CG 4.31Å; P373-Y375 HydrophobicContact CG-CE1 4.03Å; P373-Y375 PolarHBondContact O-N 3Å; Y375-F379 PolarHBondContact O-N 2.88Å; Y375-F379 VanDerWaalsContact O-N 3.13Å; Y375-K416 HydrophobicContact CE2-CB 4.33Å; Y375-V419 HydrophobicContact CD2-CB 4.35Å; Y375-V419 HydrophobicContact CD2-CG1 3.94Å; Y375-R420 HydrophobicContact CD2-CG 4.46Å; Y375-R420 HydrophobicContact CE1-CG 4.4Å; Y375-R420 VanDerWaalsContact CE1-CZ 3.42Å; Y375-R420 VanDerWaalsContact CE1-NE 3.28Å; Y375-R420 HydrophobicContact CE2-CG 3.78Å; Y375-E438 PolarHBondContact OH-OE1 2.78Å |
| 376 | L | 96.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -72.5 | -41.1 | 176.3 | 175.9 | 57.3 | 0 | 0 | 0 | 110.2 | H372 P373 S378 F379 L380 F407 Q415 K416 V419 | H372-L376 HydrophobicContact CB-CB 4.43Å; H372-L376 HydrophobicContact CB-CD2 4.05Å; H372-L376 HydrophobicContact CB-CG 4.25Å; P373-L376 PolarHBondContact O-N 3.12Å; L376-S378 VanDerWaalsContact C-N 3.34Å; L376-S378 PolarHBondContact O-N 2.88Å; L376-F379 PolarHBondContact O-N 3.15Å; L376-L380 HydrophobicContact CD1-CD1 4.01Å; L376-L380 HydrophobicContact CD1-CG 3.99Å; L376-L380 HydrophobicContact CG-CD1 3.92Å; L376-L380 HydrophobicContact CG-CG 4.38Å; L376-L380 WeakPolarHBondContact O-CB 3.47Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.48Å; L376-F407 HydrophobicContact CD1-CZ 4.16Å; L376-Q415 HydrophobicContact CD1-CB 3.99Å; L376-Q415 HydrophobicContact CD2-CB 4.18Å; L376-K416 HydrophobicContact CD2-CG 3.9Å; L376-V419 HydrophobicContact CD1-CG2 3.92Å |
| 377 | R | 96.3 | Very high | 84.7 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 174.8 | -171.3 | 176.4 | 68.8 | -166 | 2.9 | 112.2 | P373 Y374 V381 | P373-R377 PolarHBondContact O-N 3.17Å; Y374-R377 PolarHBondContact O-N 2.92Å; R377-V381 WeakPolarHBondContact O-CG2 3.2Å; R377-V381 PolarHBondContact O-N 3.41Å; R377-V381 VanDerWaalsContact O-N 3.07Å |
| 378 | S | 96.9 | Very high | 87.4 | Confident | 69 Ų | 69 | 76.9 Ų | 76.9 | 48% | 0.483 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 174.9 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | Y374 L376 V381 V382 | Y374-S378 PolarHBondContact O-N 3.21Å; Y374-S378 PolarHBondContact O-OG 2.98Å; L376-S378 VanDerWaalsContact C-N 3.34Å; L376-S378 PolarHBondContact O-N 2.88Å; S378-V381 PolarHBondContact O-N 3.2Å; S378-V382 WeakPolarHBondContact O-CG2 3.47Å; S378-V382 PolarHBondContact O-N 3.48Å; S378-V382 VanDerWaalsContact O-N 3.08Å |
| 379 | F | 97.6 | Very high | 90 | Very high | 31 Ų | 31 | 70.1 Ų | 70.1 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 177.2 | -172.1 | -99.7 | 0 | 0 | 0 | 112.3 | Y375 L376 V381 V382 L383 F407 Y418 V419 F422 | Y375-F379 PolarHBondContact O-N 2.88Å; Y375-F379 VanDerWaalsContact O-N 3.13Å; L376-F379 PolarHBondContact O-N 3.15Å; F379-V381 VanDerWaalsContact C-N 3.33Å; F379-V381 PolarHBondContact O-N 3.26Å; F379-V382 PolarHBondContact O-N 3.39Å; F379-L383 HydrophobicContact CD1-CD1 3.97Å; F379-L383 HydrophobicContact CD1-CG 4.28Å; F379-L383 HydrophobicContact CE1-CD1 3.57Å; F379-L383 HydrophobicContact CE1-CG 4Å; F379-L383 HydrophobicContact CZ-CD1 4.34Å; F379-L383 HydrophobicContact CZ-CG 4.42Å; F379-L383 PolarHBondContact O-N 3.49Å; F379-F407 AromaticContact CD1-CE1 3.99Å; F379-F407 HydrophobicContact CD1-CE1 3.99Å; F379-F407 HydrophobicContact CD1-CE2 4.45Å; F379-F407 AromaticContact CD1-CZ 3.73Å; F379-F407 HydrophobicContact CD1-CZ 3.73Å; F379-F407 HydrophobicContact CE1-CD1 4.29Å; F379-F407 HydrophobicContact CE1-CD2 4.44Å; F379-F407 AromaticContact CE1-CE1 3.76Å; F379-F407 HydrophobicContact CE1-CE1 3.76Å; F379-F407 AromaticContact CE1-CE2 3.94Å; F379-F407 HydrophobicContact CE1-CE2 3.94Å; F379-F407 AromaticContact CE1-CZ 3.57Å; F379-F407 HydrophobicContact CE1-CZ 3.57Å; F379-Y418 HydrophobicContact CZ-CE1 4.1Å; F379-V419 HydrophobicContact CB-CG1 3.86Å; F379-V419 HydrophobicContact CB-CG2 3.95Å; F379-V419 HydrophobicContact CD1-CG2 3.42Å; F379-V419 VanDerWaalsContact CD1-CG2 3.42Å; F379-V419 HydrophobicContact CD2-CG1 4.37Å; F379-V419 HydrophobicContact CD2-CG2 4.19Å; F379-V419 HydrophobicContact CE1-CG2 3.87Å; F379-V419 HydrophobicContact CG-CG1 4.11Å; F379-V419 HydrophobicContact CG-CG2 3.59Å; F379-V419 HydrophobicContact CZ-CG2 4.43Å; F379-F422 AromaticContact CE2-CD1 3.98Å; F379-F422 HydrophobicContact CE2-CD1 3.98Å; F379-F422 AromaticContact CE2-CE1 3.89Å; F379-F422 HydrophobicContact CE2-CE1 3.89Å; F379-F422 HydrophobicContact CE2-CZ 4.37Å |
| 380 | L | 96.6 | Very high | 92.4 | Very high | 38 Ų | 38 | 72.3 Ų | 72.3 | 20% | 0.199 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 176.1 | -71.1 | 168.6 | 0 | 0 | 0 | 112.7 | L376 K384 F407 Y408 | L376-L380 HydrophobicContact CD1-CD1 4.01Å; L376-L380 HydrophobicContact CD1-CG 3.99Å; L376-L380 HydrophobicContact CG-CD1 3.92Å; L376-L380 HydrophobicContact CG-CG 4.38Å; L376-L380 WeakPolarHBondContact O-CB 3.47Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.48Å; L380-K384 WeakPolarHBondContact O-CB 3.21Å; L380-K384 PolarHBondContact O-N 3.43Å; L380-F407 HydrophobicContact CD2-CE1 3.99Å; L380-Y408 HydrophobicContact CD2-CD1 4.48Å; L380-Y408 HydrophobicContact CD2-CE1 3.78Å |
| 381 | V | 97.3 | Very high | 94.4 | Very high | 85 Ų | 85 | 73.9 Ų | 73.9 | 52% | 0.515 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 172.6 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | R377 S378 F379 K384 T385 | R377-V381 WeakPolarHBondContact O-CG2 3.2Å; R377-V381 PolarHBondContact O-N 3.41Å; R377-V381 VanDerWaalsContact O-N 3.07Å; S378-V381 PolarHBondContact O-N 3.2Å; F379-V381 VanDerWaalsContact C-N 3.33Å; F379-V381 PolarHBondContact O-N 3.26Å; V381-K384 PolarHBondContact O-N 3.2Å; V381-T385 PolarHBondContact O-N 2.86Å; V381-T385 PolarHBondContact O-OG1 3.38Å |
| 382 | V | 97.4 | Very high | 95.4 | Very high | 93 Ų | 93 | 73.1 Ų | 73.1 | 56% | 0.564 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.8 | -48.6 | 176.7 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | S378 F379 K384 T385 V386 | S378-V382 WeakPolarHBondContact O-CG2 3.47Å; S378-V382 PolarHBondContact O-N 3.48Å; S378-V382 VanDerWaalsContact O-N 3.08Å; F379-V382 PolarHBondContact O-N 3.39Å; V382-K384 PolarHBondContact O-N 2.81Å; V382-T385 PolarHBondContact O-N 2.88Å; V382-V386 WeakPolarHBondContact O-CG2 3.32Å; V382-V386 PolarHBondContact O-N 2.75Å |
| 383 | L | 97.1 | Very high | 95.9 | Very high | 31 Ų | 31 | 71.6 Ų | 71.6 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57 | -50.8 | 174.7 | -73.2 | -177.4 | 0 | 0 | 0 | 110.9 | F379 T385 V386 L387 V404 F407 Y408 | F379-L383 HydrophobicContact CD1-CD1 3.97Å; F379-L383 HydrophobicContact CD1-CG 4.28Å; F379-L383 HydrophobicContact CE1-CD1 3.57Å; F379-L383 HydrophobicContact CE1-CG 4Å; F379-L383 HydrophobicContact CZ-CD1 4.34Å; F379-L383 HydrophobicContact CZ-CG 4.42Å; F379-L383 PolarHBondContact O-N 3.49Å; L383-T385 PolarHBondContact O-N 3.24Å; L383-V386 PolarHBondContact O-N 3.21Å; L383-L387 HydrophobicContact CB-CD1 4.3Å; L383-L387 WeakPolarHBondContact O-CB 3.36Å; L383-L387 WeakPolarHBondContact O-CD1 3.36Å; L383-L387 WeakPolarHBondContact O-CG 3.46Å; L383-L387 PolarHBondContact O-N 3.28Å; L383-V404 HydrophobicContact CD1-CG1 4.5Å; L383-V404 HydrophobicContact CD2-CG1 4.32Å; L383-F407 HydrophobicContact CD1-CD1 3.63Å; L383-F407 HydrophobicContact CD1-CE1 3.7Å; L383-Y408 WeakPolarHBondContact CB-OH 3.19Å; L383-Y408 HydrophobicContact CD1-CE2 4.47Å |
| 384 | K | 95.9 | Very high | 96.1 | Very high | 113 Ų | 113 | 76.6 Ų | 76.6 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55 | -51.2 | -179.5 | 178.1 | 174.2 | 172.5 | 174.7 | 0 | 112 | L380 V381 V382 V386 L387 E388 | L380-K384 WeakPolarHBondContact O-CB 3.21Å; L380-K384 PolarHBondContact O-N 3.43Å; V381-K384 PolarHBondContact O-N 3.2Å; V382-K384 PolarHBondContact O-N 2.81Å; K384-V386 VanDerWaalsContact C-N 3.28Å; K384-V386 PolarHBondContact O-N 3.26Å; K384-L387 PolarHBondContact O-N 3.31Å; K384-E388 WeakPolarHBondContact CE-OE1 3.49Å; K384-E388 WeakPolarHBondContact CE-OE2 3.36Å; K384-E388 HydrophobicContact CG-CG 4.2Å; K384-E388 IonicContact NZ-OE1 3.23Å; K384-E388 PolarHBondContact NZ-OE1 3.24Å; K384-E388 WeakPolarHBondContact O-CB 3.43Å; K384-E388 VanDerWaalsContact O-CG 3.32Å; K384-E388 WeakPolarHBondContact O-CG 3.49Å; K384-E388 PolarHBondContact O-N 3.31Å |
| 385 | T | 97.1 | Very high | 96.3 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 54% | 0.54 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.1 | -28.5 | -177.2 | -62.8 | 0 | 0 | 0 | 0 | 113.5 | V381 V382 L383 | V381-T385 PolarHBondContact O-N 2.86Å; V381-T385 PolarHBondContact O-OG1 3.38Å; V382-T385 PolarHBondContact O-N 2.88Å; L383-T385 PolarHBondContact O-N 3.24Å |
| 386 | V | 96.6 | Very high | 96.4 | Very high | 53 Ų | 53 | 79.5 Ų | 79.5 | 32% | 0.321 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -81.3 | -38 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | V382 L383 K384 E388 N389 D392 M393 F396 | V382-V386 WeakPolarHBondContact O-CG2 3.32Å; V382-V386 PolarHBondContact O-N 2.75Å; L383-V386 PolarHBondContact O-N 3.21Å; K384-V386 VanDerWaalsContact C-N 3.28Å; K384-V386 PolarHBondContact O-N 3.26Å; V386-E388 VanDerWaalsContact C-N 3.32Å; V386-E388 PolarHBondContact O-N 3.41Å; V386-N389 PolarHBondContact O-N 3.26Å; V386-D392 HydrophobicContact CG1-CB 4.33Å; V386-M393 HydrophobicContact CG1-CE 3.82Å; V386-F396 HydrophobicContact CG1-CE2 4.4Å |
| 387 | L | 94.8 | Very high | 96.4 | Very high | 66 Ų | 66 | 83.5 Ų | 83.5 | 35% | 0.346 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.6 | -26.6 | 175.6 | -67.1 | 168.1 | 0 | 0 | 0 | 113.2 | L383 K384 N389 M393 V404 Y408 | L383-L387 HydrophobicContact CB-CD1 4.3Å; L383-L387 WeakPolarHBondContact O-CB 3.36Å; L383-L387 WeakPolarHBondContact O-CD1 3.36Å; L383-L387 WeakPolarHBondContact O-CG 3.46Å; L383-L387 PolarHBondContact O-N 3.28Å; K384-L387 PolarHBondContact O-N 3.31Å; L387-N389 PolarHBondContact O-N 3.17Å; L387-M393 HydrophobicContact CD2-CE 3.96Å; L387-M393 HydrophobicContact CD2-SD 3.65Å; L387-V404 HydrophobicContact CD1-CG1 4Å; L387-V404 HydrophobicContact CD2-CG1 4.19Å; L387-Y408 HydrophobicContact CD1-CE2 3.73Å; L387-Y408 WeakPolarHBondContact CD1-OH 3.47Å |
| 388 | E | 95.3 | Very high | 96.5 | Very high | 116 Ų | 116 | 84.9 Ų | 84.9 | 54% | 0.542 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -1.4 | 174.6 | -78.4 | 179.6 | 141.6 | 0 | 0 | 113.8 | K384 V386 | K384-E388 WeakPolarHBondContact CE-OE1 3.49Å; K384-E388 WeakPolarHBondContact CE-OE2 3.36Å; K384-E388 HydrophobicContact CG-CG 4.2Å; K384-E388 IonicContact NZ-OE1 3.23Å; K384-E388 PolarHBondContact NZ-OE1 3.24Å; K384-E388 WeakPolarHBondContact O-CB 3.43Å; K384-E388 VanDerWaalsContact O-CG 3.32Å; K384-E388 WeakPolarHBondContact O-CG 3.49Å; K384-E388 PolarHBondContact O-N 3.31Å; V386-E388 VanDerWaalsContact C-N 3.32Å; V386-E388 PolarHBondContact O-N 3.41Å |
| 389 | N | 96.1 | Very high | 96.5 | Very high | 55 Ų | 55 | 87.7 Ų | 87.7 | 29% | 0.294 | 45% | 0.449 | S | S | . | . | trans | -113.9 | 109.3 | 176.1 | -176.5 | 12.9 | 0 | 0 | 0 | 111 | V386 L387 D391 D392 M393 | V386-N389 PolarHBondContact O-N 3.26Å; L387-N389 PolarHBondContact O-N 3.17Å; N389-D391 VanDerWaalsContact C-N 3.29Å; N389-D391 PolarHBondContact O-N 3.07Å; N389-D391 PolarHBondContact OD1-N 3.33Å; N389-D392 HydrophobicContact CB-CB 4.21Å; N389-D392 PolarHBondContact ND2-OD1 3.26Å; N389-D392 PolarHBondContact ND2-OD2 3.22Å; N389-D392 PolarHBondContact O-N 2.94Å; N389-M393 PolarHBondContact O-N 2.84Å; N389-M393 VanDerWaalsContact O-N 3.17Å | ||
| 390 | E | 94.3 | Very high | 96.4 | Very high | 149 Ų | 149 | 90.1 Ų | 90.1 | 70% | 0.696 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.2 | -32.4 | -177.9 | -57.8 | 92.5 | 155.4 | 0 | 0 | 112.8 | M393 L394 | E390-M393 PolarHBondContact O-N 2.98Å; E390-L394 PolarHBondContact O-N 3.12Å |
| 391 | D | 95.7 | Very high | 96.4 | Very high | 121 Ų | 121 | 90.6 Ų | 90.6 | 65% | 0.647 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.9 | -37.8 | 178.1 | -77.6 | -25.5 | 0 | 0 | 0 | 111.7 | N389 M393 L394 | N389-D391 VanDerWaalsContact C-N 3.29Å; N389-D391 PolarHBondContact O-N 3.07Å; N389-D391 PolarHBondContact OD1-N 3.33Å; D391-M393 VanDerWaalsContact C-N 3.34Å; D391-L394 PolarHBondContact O-N 3.33Å |
| 392 | D | 96 | Very high | 96.4 | Very high | 61 Ų | 61 | 87.9 Ų | 87.9 | 33% | 0.326 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.2 | -32.5 | 175.1 | -71.3 | -26.3 | 0 | 0 | 0 | 110.9 | V386 N389 L394 L395 F396 | V386-D392 HydrophobicContact CG1-CB 4.33Å; N389-D392 HydrophobicContact CB-CB 4.21Å; N389-D392 PolarHBondContact ND2-OD1 3.26Å; N389-D392 PolarHBondContact ND2-OD2 3.22Å; N389-D392 PolarHBondContact O-N 2.94Å; D392-L394 PolarHBondContact O-N 3.37Å; D392-L395 WeakPolarHBondContact O-CB 3.17Å; D392-L395 PolarHBondContact O-N 2.82Å; D392-L395 VanDerWaalsContact O-N 3.07Å; D392-F396 WeakPolarHBondContact O-CD2 3.33Å |
| 393 | M | 95.9 | Very high | 96.4 | Very high | 35 Ų | 35 | 87 Ų | 87 | 17% | 0.172 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.8 | -13.3 | 175.8 | -74.7 | -61.5 | 104.8 | 0 | 0 | 114.8 | V386 L387 N389 E390 D391 L395 F396 K401 | V386-M393 HydrophobicContact CG1-CE 3.82Å; L387-M393 HydrophobicContact CD2-CE 3.96Å; L387-M393 HydrophobicContact CD2-SD 3.65Å; N389-M393 PolarHBondContact O-N 2.84Å; N389-M393 VanDerWaalsContact O-N 3.17Å; E390-M393 PolarHBondContact O-N 2.98Å; D391-M393 VanDerWaalsContact C-N 3.34Å; M393-L395 VanDerWaalsContact C-N 3.31Å; M393-F396 HydrophobicContact CE-CD2 3.68Å; M393-F396 HydrophobicContact CE-CE2 3.79Å; M393-K401 WeakPolarHBondContact O-CE 3.45Å; M393-K401 PolarHBondContact O-NZ 2.71Å; M393-K401 VanDerWaalsContact O-NZ 3.1Å |
| 394 | L | 95.7 | Very high | 96.4 | Very high | 138 Ų | 138 | 87.4 Ų | 87.4 | 72% | 0.723 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -10.2 | 170.1 | -65 | 174.9 | 0 | 0 | 0 | 113.3 | E390 D391 D392 | E390-L394 PolarHBondContact O-N 3.12Å; D391-L394 PolarHBondContact O-N 3.33Å; D392-L394 PolarHBondContact O-N 3.37Å |
| 395 | L | 97.6 | Very high | 96.4 | Very high | 132 Ų | 132 | 85.7 Ų | 85.7 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -84.6 | -13.1 | 177.6 | -56 | 179.1 | 0 | 0 | 0 | 113.5 | D392 M393 | D392-L395 WeakPolarHBondContact O-CB 3.17Å; D392-L395 PolarHBondContact O-N 2.82Å; D392-L395 VanDerWaalsContact O-N 3.07Å; M393-L395 VanDerWaalsContact C-N 3.31Å |
| 396 | F | 97.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 86 Ų | 86 | 37% | 0.368 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -110.6 | 146.6 | -179 | -58.2 | -80.7 | 0 | 0 | 0 | 111.2 | V386 D392 M393 E400 K401 | V386-F396 HydrophobicContact CG1-CE2 4.4Å; D392-F396 WeakPolarHBondContact O-CD2 3.33Å; M393-F396 HydrophobicContact CE-CD2 3.68Å; M393-F396 HydrophobicContact CE-CE2 3.79Å; F396-E400 VanDerWaalsContact CA-OE2 3.26Å; F396-E400 WeakPolarHBondContact CA-OE2 3.49Å; F396-E400 HydrophobicContact CB-CB 4.19Å; F396-E400 HydrophobicContact CD1-CB 4.41Å; F396-K401 HydrophobicContact CB-CG 4.4Å; F396-K401 WeakPolarHBondContact O-CE 3.25Å; F396-K401 PolarHBondContact O-NZ 2.77Å |
| 397 | D | 97.6 | Very high | 96.6 | Very high | 84 Ų | 84 | 83.7 Ų | 83.7 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | trans | -85 | 174.1 | 172.3 | 81 | 26.5 | 0 | 0 | 0 | 113.1 | Q399 E400 K401 | D397-Q399 VanDerWaalsContact C-N 3.28Å; D397-Q399 PolarHBondContact O-N 2.95Å; D397-Q399 VanDerWaalsContact OD1-CA 3.28Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.44Å; D397-Q399 VanDerWaalsContact OD1-CB 3.24Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.29Å; D397-Q399 PolarHBondContact OD1-N 2.95Å; D397-E400 PolarHBondContact N-OE2 3.42Å; D397-E400 PolarHBondContact O-N 2.84Å; D397-E400 PolarHBondContact OD1-N 3.33Å; D397-K401 VanDerWaalsContact O-CG 3.31Å; D397-K401 WeakPolarHBondContact O-CG 3.39Å; D397-K401 PolarHBondContact O-N 3.1Å | ||
| 398 | E | 97.3 | Very high | 96.6 | Very high | 140 Ų | 140 | 85.2 Ų | 85.2 | 65% | 0.654 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -70.8 | -22.2 | -178.5 | -58 | -51 | 124.8 | 0 | 0 | 113.4 | K401 G402 | E398-K401 WeakPolarHBondContact OE1-CD 3.47Å; E398-K401 IonicContact OE1-NZ 2.81Å; E398-K401 PolarHBondContact OE1-NZ 3.12Å; E398-G402 PolarHBondContact O-N 2.9Å |
| 399 | Q | 97.3 | Very high | 96.7 | Very high | 128 Ų | 128 | 86.8 Ų | 86.8 | 60% | 0.598 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -75.9 | -37.3 | 173.7 | -171.9 | -96.3 | -97.6 | 0 | 0 | 110.3 | D397 G402 I403 | D397-Q399 VanDerWaalsContact C-N 3.28Å; D397-Q399 PolarHBondContact O-N 2.95Å; D397-Q399 VanDerWaalsContact OD1-CA 3.28Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.44Å; D397-Q399 VanDerWaalsContact OD1-CB 3.24Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.29Å; D397-Q399 PolarHBondContact OD1-N 2.95Å; Q399-G402 PolarHBondContact O-N 3.1Å; Q399-I403 PolarHBondContact O-N 2.86Å; Q399-I403 VanDerWaalsContact O-N 3.12Å |
| 400 | E | 96.8 | Very high | 96.8 | Very high | 82 Ų | 82 | 84.7 Ų | 84.7 | 38% | 0.383 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 173.1 | -66.8 | 178.8 | 125.2 | 0 | 0 | 112 | F396 D397 G402 I403 V404 | F396-E400 VanDerWaalsContact CA-OE2 3.26Å; F396-E400 WeakPolarHBondContact CA-OE2 3.49Å; F396-E400 HydrophobicContact CB-CB 4.19Å; F396-E400 HydrophobicContact CD1-CB 4.41Å; D397-E400 PolarHBondContact N-OE2 3.42Å; D397-E400 PolarHBondContact O-N 2.84Å; D397-E400 PolarHBondContact OD1-N 3.33Å; E400-G402 PolarHBondContact O-N 2.81Å; E400-I403 WeakPolarHBondContact O-CA 3.36Å; E400-I403 WeakPolarHBondContact O-CB 3.46Å; E400-I403 PolarHBondContact O-N 2.83Å; E400-V404 PolarHBondContact O-N 2.97Å |
| 401 | K | 95.7 | Very high | 96.9 | Very high | 49 Ų | 49 | 79.6 Ų | 79.6 | 21% | 0.213 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 170.4 | -67.2 | 164.2 | -158.9 | 165.7 | 0 | 111.6 | M393 F396 D397 E398 I403 V404 T405 | M393-K401 WeakPolarHBondContact O-CE 3.45Å; M393-K401 PolarHBondContact O-NZ 2.71Å; M393-K401 VanDerWaalsContact O-NZ 3.1Å; F396-K401 HydrophobicContact CB-CG 4.4Å; F396-K401 WeakPolarHBondContact O-CE 3.25Å; F396-K401 PolarHBondContact O-NZ 2.77Å; D397-K401 VanDerWaalsContact O-CG 3.31Å; D397-K401 WeakPolarHBondContact O-CG 3.39Å; D397-K401 PolarHBondContact O-N 3.1Å; E398-K401 WeakPolarHBondContact OE1-CD 3.47Å; E398-K401 IonicContact OE1-NZ 2.81Å; E398-K401 PolarHBondContact OE1-NZ 3.12Å; K401-I403 VanDerWaalsContact C-N 3.34Å; K401-I403 PolarHBondContact O-N 3Å; K401-V404 PolarHBondContact O-N 2.99Å; K401-T405 WeakPolarHBondContact O-CB 3.45Å; K401-T405 PolarHBondContact O-N 2.88Å; K401-T405 PolarHBondContact O-OG1 3.48Å |
| 402 | G | 97.1 | Very high | 96.9 | Very high | 28 Ų | 28 | 76.3 Ų | 76.3 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.3 | -38.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E398 Q399 E400 T405 K406 | E398-G402 PolarHBondContact O-N 2.9Å; Q399-G402 PolarHBondContact O-N 3.1Å; E400-G402 PolarHBondContact O-N 2.81Å; G402-T405 PolarHBondContact O-N 3.25Å; G402-K406 WeakPolarHBondContact O-CG 3.36Å; G402-K406 PolarHBondContact O-N 2.99Å |
| 403 | I | 97.6 | Very high | 96.9 | Very high | 73 Ų | 73 | 75.6 Ų | 75.6 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 173.3 | -63.4 | 170.1 | 0 | 0 | 0 | 110.4 | Q399 E400 K401 T405 K406 F407 F455 | Q399-I403 PolarHBondContact O-N 2.86Å; Q399-I403 VanDerWaalsContact O-N 3.12Å; E400-I403 WeakPolarHBondContact O-CA 3.36Å; E400-I403 WeakPolarHBondContact O-CB 3.46Å; E400-I403 PolarHBondContact O-N 2.83Å; K401-I403 VanDerWaalsContact C-N 3.34Å; K401-I403 PolarHBondContact O-N 3Å; I403-T405 VanDerWaalsContact C-N 3.28Å; I403-T405 PolarHBondContact O-N 2.98Å; I403-K406 WeakPolarHBondContact O-CB 3.35Å; I403-K406 PolarHBondContact O-N 3.43Å; I403-F407 PolarHBondContact O-N 3.24Å; I403-F455 HydrophobicContact CG2-CD1 4.5Å; I403-F455 HydrophobicContact CG2-CE1 3.55Å; I403-F455 HydrophobicContact CG2-CZ 4.06Å; I403-F455 WeakPolarHBondContact O-CZ 3.47Å |
| 404 | V | 97.2 | Very high | 97 | Very high | 41 Ų | 41 | 73.9 Ų | 73.9 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 179 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | L383 L387 E400 K401 F407 Y408 | L383-V404 HydrophobicContact CD1-CG1 4.5Å; L383-V404 HydrophobicContact CD2-CG1 4.32Å; L387-V404 HydrophobicContact CD1-CG1 4Å; L387-V404 HydrophobicContact CD2-CG1 4.19Å; E400-V404 PolarHBondContact O-N 2.97Å; K401-V404 PolarHBondContact O-N 2.99Å; V404-F407 WeakPolarHBondContact O-CB 3.33Å; V404-F407 PolarHBondContact O-N 3.18Å; V404-Y408 HydrophobicContact CG1-CD2 4.22Å; V404-Y408 HydrophobicContact CG1-CE2 3.8Å; V404-Y408 VanDerWaalsContact O-CD2 3.25Å; V404-Y408 WeakPolarHBondContact O-CD2 3.47Å; V404-Y408 PolarHBondContact O-N 2.94Å |
| 405 | T | 96.7 | Very high | 97 | Very high | 77 Ų | 77 | 68.4 Ų | 68.4 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.9 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | K401 G402 I403 F407 Y408 Q409 | K401-T405 WeakPolarHBondContact O-CB 3.45Å; K401-T405 PolarHBondContact O-N 2.88Å; K401-T405 PolarHBondContact O-OG1 3.48Å; G402-T405 PolarHBondContact O-N 3.25Å; I403-T405 VanDerWaalsContact C-N 3.28Å; I403-T405 PolarHBondContact O-N 2.98Å; T405-F407 VanDerWaalsContact C-N 3.28Å; T405-F407 PolarHBondContact O-N 3.29Å; T405-Y408 PolarHBondContact O-N 2.93Å; T405-Q409 WeakPolarHBondContact O-CG 3.39Å; T405-Q409 PolarHBondContact O-N 3.16Å |
| 406 | K | 97.9 | Very high | 97 | Very high | 93 Ų | 93 | 64 Ų | 64 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.7 | -38 | 173.1 | -76.8 | 175 | 164.8 | -162.1 | 0 | 112.4 | G402 I403 Y408 Q409 L410 A453 F455 | G402-K406 WeakPolarHBondContact O-CG 3.36Å; G402-K406 PolarHBondContact O-N 2.99Å; I403-K406 WeakPolarHBondContact O-CB 3.35Å; I403-K406 PolarHBondContact O-N 3.43Å; K406-Y408 VanDerWaalsContact C-N 3.32Å; K406-Y408 PolarHBondContact O-N 2.92Å; K406-Q409 WeakPolarHBondContact O-CB 3.48Å; K406-Q409 PolarHBondContact O-N 3.16Å; K406-Q409 VanDerWaalsContact O-N 3.08Å; K406-L410 PolarHBondContact O-N 2.98Å; K406-A453 PolarHBondContact NZ-O 3.33Å; K406-F455 HydrophobicContact CB-CE2 3.83Å; K406-F455 HydrophobicContact CB-CZ 3.88Å |
| 407 | F | 98.1 | Very high | 97 | Very high | 5 Ų | 5 | 60 Ų | 60 | 2% | 0.022 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 179.3 | 172.7 | -96.1 | 0 | 0 | 0 | 111.6 | L376 F379 L380 L383 I403 V404 T405 Q409 L410 Q415 Y418 V419 F455 | L376-F407 HydrophobicContact CD1-CZ 4.16Å; F379-F407 AromaticContact CD1-CE1 3.99Å; F379-F407 HydrophobicContact CD1-CE1 3.99Å; F379-F407 HydrophobicContact CD1-CE2 4.45Å; F379-F407 AromaticContact CD1-CZ 3.73Å; F379-F407 HydrophobicContact CD1-CZ 3.73Å; F379-F407 HydrophobicContact CE1-CD1 4.29Å; F379-F407 HydrophobicContact CE1-CD2 4.44Å; F379-F407 AromaticContact CE1-CE1 3.76Å; F379-F407 HydrophobicContact CE1-CE1 3.76Å; F379-F407 AromaticContact CE1-CE2 3.94Å; F379-F407 HydrophobicContact CE1-CE2 3.94Å; F379-F407 AromaticContact CE1-CZ 3.57Å; F379-F407 HydrophobicContact CE1-CZ 3.57Å; L380-F407 HydrophobicContact CD2-CE1 3.99Å; L383-F407 HydrophobicContact CD1-CD1 3.63Å; L383-F407 HydrophobicContact CD1-CE1 3.7Å; I403-F407 PolarHBondContact O-N 3.24Å; V404-F407 WeakPolarHBondContact O-CB 3.33Å; V404-F407 PolarHBondContact O-N 3.18Å; T405-F407 VanDerWaalsContact C-N 3.28Å; T405-F407 PolarHBondContact O-N 3.29Å; F407-Q409 VanDerWaalsContact C-N 3.28Å; F407-Q409 PolarHBondContact O-N 2.83Å; F407-L410 HydrophobicContact CD2-CD1 3.91Å; F407-L410 HydrophobicContact CE2-CD1 4.47Å; F407-L410 WeakPolarHBondContact O-CB 3.46Å; F407-L410 PolarHBondContact O-N 3.22Å; F407-Q415 HydrophobicContact CE1-CG 4.37Å; F407-Q415 HydrophobicContact CE2-CB 4.04Å; F407-Q415 HydrophobicContact CE2-CG 3.98Å; F407-Q415 HydrophobicContact CZ-CB 3.91Å; F407-Q415 HydrophobicContact CZ-CG 3.88Å; F407-Q415 PolarHBondContact O-NE2 3.11Å; F407-Y418 AromaticContact CD2-CD1 3.74Å; F407-Y418 HydrophobicContact CD2-CD1 3.74Å; F407-Y418 HydrophobicContact CD2-CE1 4.17Å; F407-Y418 HydrophobicContact CD2-CG 4.35Å; F407-Y418 AromaticContact CE2-CD1 3.58Å; F407-Y418 HydrophobicContact CE2-CD1 3.58Å; F407-Y418 HydrophobicContact CE2-CE1 4.31Å; F407-Y418 HydrophobicContact CE2-CG 4.28Å; F407-V419 HydrophobicContact CE2-CG2 4.18Å; F407-V419 HydrophobicContact CZ-CG2 4.07Å; F407-F455 HydrophobicContact CB-CE1 4.31Å; F407-F455 HydrophobicContact CB-CE2 4.47Å; F407-F455 HydrophobicContact CB-CZ 3.73Å |
| 408 | Y | 96.8 | Very high | 97 | Very high | 99 Ų | 99 | 58.1 Ų | 58.1 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.2 | -21.9 | 174.3 | -72.8 | -65.8 | 0 | 0 | 0 | 114 | L380 L383 L387 V404 T405 K406 | L380-Y408 HydrophobicContact CD2-CD1 4.48Å; L380-Y408 HydrophobicContact CD2-CE1 3.78Å; L383-Y408 WeakPolarHBondContact CB-OH 3.19Å; L383-Y408 HydrophobicContact CD1-CE2 4.47Å; L387-Y408 HydrophobicContact CD1-CE2 3.73Å; L387-Y408 WeakPolarHBondContact CD1-OH 3.47Å; V404-Y408 HydrophobicContact CG1-CD2 4.22Å; V404-Y408 HydrophobicContact CG1-CE2 3.8Å; V404-Y408 VanDerWaalsContact O-CD2 3.25Å; V404-Y408 WeakPolarHBondContact O-CD2 3.47Å; V404-Y408 PolarHBondContact O-N 2.94Å; T405-Y408 PolarHBondContact O-N 2.93Å; K406-Y408 VanDerWaalsContact C-N 3.32Å; K406-Y408 PolarHBondContact O-N 2.92Å |
| 409 | Q | 97.5 | Very high | 97 | Very high | 148 Ų | 148 | 51.5 Ų | 51.5 | 69% | 0.692 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -80.2 | -15.9 | 175.2 | -68 | 169.4 | -9.7 | 0 | 0 | 113.3 | T405 K406 F407 | T405-Q409 WeakPolarHBondContact O-CG 3.39Å; T405-Q409 PolarHBondContact O-N 3.16Å; K406-Q409 WeakPolarHBondContact O-CB 3.48Å; K406-Q409 PolarHBondContact O-N 3.16Å; K406-Q409 VanDerWaalsContact O-N 3.08Å; F407-Q409 VanDerWaalsContact C-N 3.28Å; F407-Q409 PolarHBondContact O-N 2.83Å |
| 410 | L | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -64.9 | 151.5 | 174.6 | -65.5 | 173.1 | 0 | 0 | 0 | 112.1 | K406 F407 Q415 E449 L450 A453 F455 | K406-L410 PolarHBondContact O-N 2.98Å; F407-L410 HydrophobicContact CD2-CD1 3.91Å; F407-L410 HydrophobicContact CE2-CD1 4.47Å; F407-L410 WeakPolarHBondContact O-CB 3.46Å; F407-L410 PolarHBondContact O-N 3.22Å; L410-Q415 HydrophobicContact CB-CG 3.81Å; L410-Q415 PolarHBondContact O-NE2 3.49Å; L410-E449 WeakPolarHBondContact CA-OE1 3.22Å; L410-E449 HydrophobicContact CD2-CG 4.28Å; L410-E449 WeakPolarHBondContact CD2-OE1 3.39Å; L410-L450 HydrophobicContact CD1-CD2 3.52Å; L410-L450 HydrophobicContact CD2-CD2 3.89Å; L410-L450 HydrophobicContact CG-CD2 4.35Å; L410-A453 HydrophobicContact CD2-CB 3.79Å; L410-F455 HydrophobicContact CD1-CD2 3.82Å; L410-F455 HydrophobicContact CD1-CE2 3.75Å; L410-F455 HydrophobicContact CD1-CZ 4.49Å; L410-F455 HydrophobicContact CD2-CD2 4.13Å; L410-F455 HydrophobicContact CD2-CE2 4.22Å; L410-F455 HydrophobicContact CG-CD2 4.31Å; L410-F455 HydrophobicContact CG-CE2 4.04Å |
| 411 | S | 96.6 | Very high | 96.9 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 29% | 0.287 | 24% | 0.238 | S | C | . | . | trans | -58.9 | 155.9 | 169.5 | 78.6 | 0 | 0 | 0 | 0 | 111.6 | T413 G414 Q415 E449 | S411-T413 PolarHBondContact O-N 2.98Å; S411-T413 VanDerWaalsContact O-N 3.1Å; S411-T413 PolarHBondContact OG-N 2.65Å; S411-T413 PolarHBondContact OG-OG1 2.75Å; S411-G414 PolarHBondContact O-N 2.67Å; S411-G414 PolarHBondContact OG-N 3.24Å; S411-Q415 WeakPolarHBondContact O-CG 3.32Å; S411-Q415 PolarHBondContact O-N 2.9Å; S411-E449 WeakPolarHBondContact CB-OE1 3.26Å; S411-E449 WeakPolarHBondContact CB-OE2 3.24Å; S411-E449 PolarHBondContact N-OE1 2.81Å; S411-E449 VanDerWaalsContact OG-CD 3.29Å; S411-E449 PolarHBondContact OG-OE1 3.11Å; S411-E449 PolarHBondContact OG-OE2 3.13Å | ||
| 412 | A | 95.1 | Very high | 97 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.7 | -26.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K416 | A412-K416 VanDerWaalsContact O-CG 3.22Å; A412-K416 WeakPolarHBondContact O-CG 3.35Å; A412-K416 PolarHBondContact O-N 2.72Å |
| 413 | T | 96.3 | Very high | 96.8 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 28% | 0.282 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.9 | -45.2 | 171.7 | 27.4 | 0 | 0 | 0 | 0 | 112.6 | S411 K416 L417 I439 | S411-T413 PolarHBondContact O-N 2.98Å; S411-T413 VanDerWaalsContact O-N 3.1Å; S411-T413 PolarHBondContact OG-N 2.65Å; S411-T413 PolarHBondContact OG-OG1 2.75Å; T413-K416 PolarHBondContact O-N 2.94Å; T413-L417 WeakPolarHBondContact O-CB 3.29Å; T413-L417 PolarHBondContact O-N 2.62Å; T413-I439 HydrophobicContact CG2-CG2 3.92Å; T413-I439 WeakPolarHBondContact CG2-O 3.32Å |
| 414 | G | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.2 | -47 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | S411 K416 L417 Y418 | S411-G414 PolarHBondContact O-N 2.67Å; S411-G414 PolarHBondContact OG-N 3.24Å; G414-K416 PolarHBondContact O-N 3.44Å; G414-L417 PolarHBondContact O-N 3.14Å; G414-Y418 WeakPolarHBondContact O-CB 3.31Å; G414-Y418 PolarHBondContact O-N 3.18Å |
| 415 | Q | 97.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 175.7 | -65.3 | -179.9 | 15.5 | 0 | 0 | 112.6 | L376 F407 L410 S411 L417 V419 | L376-Q415 HydrophobicContact CD1-CB 3.99Å; L376-Q415 HydrophobicContact CD2-CB 4.18Å; F407-Q415 HydrophobicContact CE1-CG 4.37Å; F407-Q415 HydrophobicContact CE2-CB 4.04Å; F407-Q415 HydrophobicContact CE2-CG 3.98Å; F407-Q415 HydrophobicContact CZ-CB 3.91Å; F407-Q415 HydrophobicContact CZ-CG 3.88Å; F407-Q415 PolarHBondContact O-NE2 3.11Å; L410-Q415 HydrophobicContact CB-CG 3.81Å; L410-Q415 PolarHBondContact O-NE2 3.49Å; S411-Q415 WeakPolarHBondContact O-CG 3.32Å; S411-Q415 PolarHBondContact O-N 2.9Å; Q415-L417 PolarHBondContact O-N 3.48Å; Q415-V419 WeakPolarHBondContact O-CG2 3.33Å; Q415-V419 PolarHBondContact O-N 2.63Å; Q415-V419 VanDerWaalsContact O-N 3.12Å |
| 416 | K | 96.3 | Very high | 96.4 | Very high | 39 Ų | 39 | 63.7 Ų | 63.7 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.1 | -49.4 | 174.1 | -78.6 | 174.2 | -172.2 | -177.9 | 0 | 110.8 | P373 Y375 L376 A412 T413 G414 V419 R420 E438 I439 | P373-K416 HydrophobicContact CG-CD 4.33Å; P373-K416 HydrophobicContact CG-CG 4.34Å; Y375-K416 HydrophobicContact CE2-CB 4.33Å; L376-K416 HydrophobicContact CD2-CG 3.9Å; A412-K416 VanDerWaalsContact O-CG 3.22Å; A412-K416 WeakPolarHBondContact O-CG 3.35Å; A412-K416 PolarHBondContact O-N 2.72Å; T413-K416 PolarHBondContact O-N 2.94Å; G414-K416 PolarHBondContact O-N 3.44Å; K416-V419 PolarHBondContact O-N 2.8Å; K416-R420 WeakPolarHBondContact O-CG 3.41Å; K416-R420 PolarHBondContact O-N 2.73Å; K416-E438 PolarHBondContact NZ-O 3.38Å; K416-I439 HydrophobicContact CB-CD1 3.85Å; K416-I439 HydrophobicContact CB-CG1 3.93Å; K416-I439 HydrophobicContact CB-CG2 4.26Å; K416-I439 HydrophobicContact CD-CB 4.43Å; K416-I439 HydrophobicContact CD-CG1 4.01Å; K416-I439 HydrophobicContact CD-CG2 4.37Å |
| 417 | L | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.6 | -45.6 | -174.9 | 178.8 | 57 | 0 | 0 | 0 | 111.5 | T413 G414 Q415 V419 R420 L421 L434 Y436 I439 L443 V446 I447 L450 | T413-L417 WeakPolarHBondContact O-CB 3.29Å; T413-L417 PolarHBondContact O-N 2.62Å; G414-L417 PolarHBondContact O-N 3.14Å; Q415-L417 PolarHBondContact O-N 3.48Å; L417-V419 VanDerWaalsContact C-N 3.34Å; L417-V419 PolarHBondContact O-N 3.49Å; L417-R420 WeakPolarHBondContact O-CB 3.32Å; L417-R420 PolarHBondContact O-N 3.24Å; L417-L421 HydrophobicContact CD1-CD1 3.93Å; L417-L421 HydrophobicContact CD1-CG 4.02Å; L417-L421 HydrophobicContact CG-CD1 4.05Å; L417-L421 WeakPolarHBondContact O-CG 3.37Å; L417-L421 PolarHBondContact O-N 3.07Å; L417-L434 HydrophobicContact CD1-CD2 3.94Å; L417-Y436 HydrophobicContact CD1-CD2 3.79Å; L417-Y436 HydrophobicContact CD1-CE2 3.97Å; L417-I439 HydrophobicContact CB-CD1 4.07Å; L417-I439 HydrophobicContact CB-CG2 4.42Å; L417-I439 HydrophobicContact CD1-CD1 4.32Å; L417-L443 HydrophobicContact CD2-CD2 4.49Å; L417-V446 HydrophobicContact CB-CG1 4.01Å; L417-V446 HydrophobicContact CD2-CB 3.95Å; L417-V446 HydrophobicContact CD2-CG1 3.69Å; L417-V446 HydrophobicContact CG-CG1 4.49Å; L417-I447 HydrophobicContact CD2-CG1 4.06Å; L417-L450 HydrophobicContact CB-CD1 4.07Å; L417-L450 HydrophobicContact CD2-CD1 3.85Å; L417-L450 HydrophobicContact CG-CD1 3.87Å |
| 418 | Y | 97.8 | Very high | 96 | Very high | 46 Ų | 46 | 64.6 Ų | 64.6 | 18% | 0.18 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.5 | -49.8 | 174.7 | 179.2 | -99.3 | 0 | 0 | 0 | 111.5 | F379 F407 G414 R420 L421 F422 F455 | F379-Y418 HydrophobicContact CZ-CE1 4.1Å; F407-Y418 AromaticContact CD2-CD1 3.74Å; F407-Y418 HydrophobicContact CD2-CD1 3.74Å; F407-Y418 HydrophobicContact CD2-CE1 4.17Å; F407-Y418 HydrophobicContact CD2-CG 4.35Å; F407-Y418 AromaticContact CE2-CD1 3.58Å; F407-Y418 HydrophobicContact CE2-CD1 3.58Å; F407-Y418 HydrophobicContact CE2-CE1 4.31Å; F407-Y418 HydrophobicContact CE2-CG 4.28Å; G414-Y418 WeakPolarHBondContact O-CB 3.31Å; G414-Y418 PolarHBondContact O-N 3.18Å; Y418-R420 PolarHBondContact O-N 3.4Å; Y418-L421 PolarHBondContact O-N 2.95Å; Y418-L421 VanDerWaalsContact O-N 3.15Å; Y418-F422 HydrophobicContact CE1-CB 4.4Å; Y418-F422 HydrophobicContact CE1-CD2 4.34Å; Y418-F422 VanDerWaalsContact O-CB 3.29Å; Y418-F422 WeakPolarHBondContact O-CB 3.43Å; Y418-F422 PolarHBondContact O-N 3.18Å; Y418-F455 HydrophobicContact CD2-CB 3.87Å; Y418-F455 AromaticContact CD2-CD1 3.93Å; Y418-F455 HydrophobicContact CD2-CD1 3.93Å; Y418-F455 HydrophobicContact CD2-CG 4.09Å; Y418-F455 HydrophobicContact CE2-CB 3.99Å; Y418-F455 AromaticContact CE2-CD1 3.46Å; Y418-F455 HydrophobicContact CE2-CD1 3.46Å; Y418-F455 VanDerWaalsContact CE2-CD1 3.46Å; Y418-F455 HydrophobicContact CE2-CE1 4.28Å; Y418-F455 HydrophobicContact CE2-CG 4.05Å; Y418-F455 AromaticContact CZ-CD1 3.91Å |
| 419 | V | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67 | -34.7 | -179.6 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | Y375 L376 F379 F407 Q415 K416 L417 L421 Q423 | Y375-V419 HydrophobicContact CD2-CB 4.35Å; Y375-V419 HydrophobicContact CD2-CG1 3.94Å; L376-V419 HydrophobicContact CD1-CG2 3.92Å; F379-V419 HydrophobicContact CB-CG1 3.86Å; F379-V419 HydrophobicContact CB-CG2 3.95Å; F379-V419 HydrophobicContact CD1-CG2 3.42Å; F379-V419 VanDerWaalsContact CD1-CG2 3.42Å; F379-V419 HydrophobicContact CD2-CG1 4.37Å; F379-V419 HydrophobicContact CD2-CG2 4.19Å; F379-V419 HydrophobicContact CE1-CG2 3.87Å; F379-V419 HydrophobicContact CG-CG1 4.11Å; F379-V419 HydrophobicContact CG-CG2 3.59Å; F379-V419 HydrophobicContact CZ-CG2 4.43Å; F407-V419 HydrophobicContact CE2-CG2 4.18Å; F407-V419 HydrophobicContact CZ-CG2 4.07Å; Q415-V419 WeakPolarHBondContact O-CG2 3.33Å; Q415-V419 PolarHBondContact O-N 2.63Å; Q415-V419 VanDerWaalsContact O-N 3.12Å; K416-V419 PolarHBondContact O-N 2.8Å; L417-V419 VanDerWaalsContact C-N 3.34Å; L417-V419 PolarHBondContact O-N 3.49Å; V419-L421 VanDerWaalsContact C-N 3.33Å; V419-L421 PolarHBondContact O-N 3.18Å; V419-Q423 VanDerWaalsContact O-CG 3.31Å; V419-Q423 WeakPolarHBondContact O-CG 3.47Å; V419-Q423 PolarHBondContact O-N 2.99Å |
| 420 | R | 95.9 | Very high | 95.7 | Very high | 64 Ų | 64 | 56 Ų | 56 | 24% | 0.242 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 171.6 | -82.3 | -58.1 | -152.3 | 179.4 | 5.8 | 112.9 | Y375 K416 L417 Y418 R424 Y436 E438 I439 | Y375-R420 HydrophobicContact CD2-CG 4.46Å; Y375-R420 HydrophobicContact CE1-CG 4.4Å; Y375-R420 VanDerWaalsContact CE1-CZ 3.42Å; Y375-R420 VanDerWaalsContact CE1-NE 3.28Å; Y375-R420 HydrophobicContact CE2-CG 3.78Å; K416-R420 WeakPolarHBondContact O-CG 3.41Å; K416-R420 PolarHBondContact O-N 2.73Å; L417-R420 WeakPolarHBondContact O-CB 3.32Å; L417-R420 PolarHBondContact O-N 3.24Å; Y418-R420 PolarHBondContact O-N 3.4Å; R420-R424 WeakPolarHBondContact O-CD 3.35Å; R420-R424 WeakPolarHBondContact O-CG 3.48Å; R420-Y436 HydrophobicContact CB-CE1 4.06Å; R420-Y436 HydrophobicContact CB-CE2 4.16Å; R420-Y436 HydrophobicContact CG-CD1 4.14Å; R420-Y436 HydrophobicContact CG-CE1 3.84Å; R420-E438 IonicContact CZ-OE1 2.71Å; R420-E438 IonicContact NE-OE1 3.11Å; R420-E438 PolarHBondContact NE-OE1 3.21Å; R420-E438 IonicContact NH2-OE1 2.72Å; R420-E438 PolarHBondContact NH2-OE1 3.13Å; R420-E438 IonicContact NH2-OE2 2.73Å; R420-I439 HydrophobicContact CG-CD1 3.97Å |
| 421 | L | 96.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 60.7 Ų | 60.7 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -80.2 | -41 | -180 | -64.4 | 176.2 | 0 | 0 | 0 | 111.9 | L417 Y418 V419 Q423 R424 I429 L434 Y436 L456 | L417-L421 HydrophobicContact CD1-CD1 3.93Å; L417-L421 HydrophobicContact CD1-CG 4.02Å; L417-L421 HydrophobicContact CG-CD1 4.05Å; L417-L421 WeakPolarHBondContact O-CG 3.37Å; L417-L421 PolarHBondContact O-N 3.07Å; Y418-L421 PolarHBondContact O-N 2.95Å; Y418-L421 VanDerWaalsContact O-N 3.15Å; V419-L421 VanDerWaalsContact C-N 3.33Å; V419-L421 PolarHBondContact O-N 3.18Å; L421-Q423 PolarHBondContact O-N 3.37Å; L421-R424 WeakPolarHBondContact O-CB 3.47Å; L421-R424 PolarHBondContact O-N 2.88Å; L421-I429 HydrophobicContact CD2-CD1 3.84Å; L421-L434 HydrophobicContact CD2-CD1 4.34Å; L421-L434 HydrophobicContact CD2-CG 4.49Å; L421-Y436 HydrophobicContact CD2-CE2 4.41Å; L421-L456 HydrophobicContact CD1-CD1 3.91Å; L421-L456 HydrophobicContact CD1-CD2 3.84Å |
| 422 | F | 96.8 | Very high | 95.1 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 54% | 0.544 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.4 | -32.3 | 175.8 | -178.7 | -93.1 | 0 | 0 | 0 | 113.2 | F379 Y418 R424 | F379-F422 AromaticContact CE2-CD1 3.98Å; F379-F422 HydrophobicContact CE2-CD1 3.98Å; F379-F422 AromaticContact CE2-CE1 3.89Å; F379-F422 HydrophobicContact CE2-CE1 3.89Å; F379-F422 HydrophobicContact CE2-CZ 4.37Å; Y418-F422 HydrophobicContact CE1-CB 4.4Å; Y418-F422 HydrophobicContact CE1-CD2 4.34Å; Y418-F422 VanDerWaalsContact O-CB 3.29Å; Y418-F422 WeakPolarHBondContact O-CB 3.43Å; Y418-F422 PolarHBondContact O-N 3.18Å; F422-R424 VanDerWaalsContact C-N 3.31Å; F422-R424 PolarHBondContact O-N 2.76Å |
| 423 | Q | 94.3 | Very high | 94.8 | Very high | 107 Ų | 107 | 68.5 Ų | 68.5 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -3.4 | 177.1 | -68.7 | 176.4 | 13.4 | 0 | 0 | 114.3 | V419 L421 | V419-Q423 VanDerWaalsContact O-CG 3.31Å; V419-Q423 WeakPolarHBondContact O-CG 3.47Å; V419-Q423 PolarHBondContact O-N 2.99Å; L421-Q423 PolarHBondContact O-N 3.37Å |
| 424 | R | 94.9 | Very high | 94.6 | Very high | 103 Ų | 103 | 67.4 Ų | 67.4 | 39% | 0.389 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -95.4 | 168.4 | 178.1 | -68.2 | 167.8 | 66.4 | 151.1 | -0.2 | 110.9 | R420 L421 F422 L426 Y436 | R420-R424 WeakPolarHBondContact O-CD 3.35Å; R420-R424 WeakPolarHBondContact O-CG 3.48Å; L421-R424 WeakPolarHBondContact O-CB 3.47Å; L421-R424 PolarHBondContact O-N 2.88Å; F422-R424 VanDerWaalsContact C-N 3.31Å; F422-R424 PolarHBondContact O-N 2.76Å; R424-L426 PolarHBondContact O-N 2.83Å; R424-Y436 WeakPolarHBondContact CD-OH 3.28Å; R424-Y436 PolarHBondContact NH1-OH 2.89Å |
| 425 | K | 93.8 | Very high | 94.2 | Very high | 135 Ų | 135 | 75 Ų | 75 | 59% | 0.587 | 36% | 0.356 | S | S | * | . | trans | -59 | 123 | 168.2 | -178.1 | -157.4 | 165.5 | -175.9 | 0 | 108.6 | S427 E470 | K425-S427 PolarHBondContact O-N 2.74Å; K425-S427 PolarHBondContact O-OG 2.99Å; K425-E470 IonicContact NZ-OE1 3.61Å; K425-E470 PolarHBondContact NZ-OE1 3.3Å; K425-E470 IonicContact NZ-OE2 3.75Å | ||
| 426 | L | 94.3 | Very high | 94 | Very high | 175 Ų | 175 | 75.3 Ų | 75.3 | 92% | 0.916 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -54.4 | 109.8 | 168.6 | -177.3 | 63.3 | 0 | 0 | 0 | 109.6 | R424 | R424-L426 PolarHBondContact O-N 2.83Š|
| 427 | S | 93.3 | Very high | 93.7 | Very high | 53 Ų | 53 | 80.7 Ų | 80.7 | 37% | 0.371 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -174.2 | 155.6 | -176.8 | 47.9 | 0 | 0 | 0 | 0 | 108.8 | K425 | K425-S427 PolarHBondContact O-N 2.74Å; K425-S427 PolarHBondContact O-OG 2.99Å |
| 428 | W | 94.9 | Very high | 93.3 | Very high | 64 Ų | 64 | 84.1 Ų | 84.1 | 24% | 0.242 | 40% | 0.398 | C | S | . | . | trans | -64.9 | 143.4 | 175.2 | -66 | 88.6 | 0 | 0 | 0 | 111.4 | Q457 T458 L462 E467 L471 | W428-Q457 HydrophobicContact CH2-CB 3.93Å; W428-T458 VanDerWaalsContact CH2-O 3.27Å; W428-T458 WeakPolarHBondContact CH2-O 3.5Å; W428-T458 WeakPolarHBondContact CZ3-O 3.04Å; W428-L462 HydrophobicContact CD2-CB 4.36Å; W428-L462 HydrophobicContact CD2-CD1 4.29Å; W428-L462 HydrophobicContact CD2-CD2 3.84Å; W428-L462 HydrophobicContact CD2-CG 4.37Å; W428-L462 HydrophobicContact CE3-CB 4.4Å; W428-L462 HydrophobicContact CE3-CD2 4.06Å; W428-L462 HydrophobicContact CG-CD1 4.47Å; W428-L462 HydrophobicContact CG-CD2 4.11Å; W428-L462 HydrophobicContact CH2-CB 3.76Å; W428-L462 HydrophobicContact CZ2-CB 3.68Å; W428-L462 HydrophobicContact CZ2-CD1 4.17Å; W428-L462 HydrophobicContact CZ2-CG 4.34Å; W428-L462 HydrophobicContact CZ3-CB 4.12Å; W428-E467 PolarHBondContact NE1-OE2 2.9Å; W428-L471 HydrophobicContact CB-CD1 4.01Å; W428-L471 HydrophobicContact CB-CD2 4.02Å; W428-L471 HydrophobicContact CB-CG 4.42Å; W428-L471 WeakPolarHBondContact O-CD1 3.37Å | ||
| 429 | I | 93.9 | Very high | 93 | Very high | 48 Ų | 48 | 82.6 Ų | 82.6 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | trans | -127.9 | 125.5 | -178.9 | -62.8 | 164.9 | 0 | 0 | 0 | 107.7 | L421 L434 | L421-I429 HydrophobicContact CD2-CD1 3.84Å; I429-L434 HydrophobicContact CG2-CB 4.1Å; I429-L434 HydrophobicContact CG2-CD1 4.18Å; I429-L434 HydrophobicContact CG2-CG 4.16Å | ||
| 430 | K | 92.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 84 Ų | 84 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | trans | -64.2 | 135.4 | 172.2 | -59.5 | -170.6 | 170.9 | -143.5 | 0 | 109.1 | T432 K433 L471 E476 L530 A531 | K430-T432 PolarHBondContact O-N 3.4Å; K430-K433 HydrophobicContact CB-CG 4.4Å; K430-K433 PolarHBondContact O-N 3.33Å; K430-L471 HydrophobicContact CG-CD1 3.63Å; K430-L471 HydrophobicContact CG-CG 4.06Å; K430-E476 WeakPolarHBondContact CE-OE2 3.09Å; K430-E476 IonicContact NZ-OE1 2.62Å; K430-E476 PolarHBondContact NZ-OE1 3.25Å; K430-E476 VanDerWaalsContact NZ-OE1 3.11Å; K430-E476 IonicContact NZ-OE2 3.19Å; K430-E476 PolarHBondContact NZ-OE2 3.35Å; K430-L530 PolarHBondContact NZ-O 3.03Å; K430-A531 WeakPolarHBondContact CD-O 3.44Å; K430-A531 WeakPolarHBondContact CE-O 3.44Å; K430-A531 WeakPolarHBondContact CG-O 3.43Å; K430-A531 PolarHBondContact NZ-O 3.35Å | ||
| 431 | M | 90.9 | Very high | 92.3 | Very high | 109 Ų | 109 | 89.3 Ų | 89.3 | 54% | 0.537 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -54.5 | -36.8 | 175.7 | -65.5 | -179.4 | -177.7 | 0 | 0 | 111.8 | K433 L434 | M431-K433 PolarHBondContact O-N 2.95Å; M431-L434 WeakPolarHBondContact O-CB 3.49Å; M431-L434 PolarHBondContact O-N 2.67Å |
| 432 | T | 90.4 | Very high | 92.2 | Very high | 128 Ų | 128 | 92.3 Ų | 92.3 | 79% | 0.785 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -65.7 | 1.7 | 174.2 | 54.9 | 0 | 0 | 0 | 0 | 115.6 | K430 | K430-T432 PolarHBondContact O-N 3.4Š|
| 433 | K | 90.3 | Very high | 92 | Very high | 129 Ų | 129 | 87 Ų | 87 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -127.5 | 14.6 | 173.1 | -62.5 | -177.8 | 178.5 | 176.6 | 0 | 112.2 | K430 M431 | K430-K433 HydrophobicContact CB-CG 4.4Å; K430-K433 PolarHBondContact O-N 3.33Å; M431-K433 PolarHBondContact O-N 2.95Å |
| 434 | L | 90.6 | Very high | 92 | Very high | 24 Ų | 24 | 85.8 Ų | 85.8 | 13% | 0.126 | 43% | 0.43 | C | S | . | . | trans | -116.8 | 90.5 | -175.2 | -152.9 | 172.6 | 0 | 0 | 0 | 106.9 | L417 L421 I429 M431 Y436 L443 I447 | L417-L434 HydrophobicContact CD1-CD2 3.94Å; L421-L434 HydrophobicContact CD2-CD1 4.34Å; L421-L434 HydrophobicContact CD2-CG 4.49Å; I429-L434 HydrophobicContact CG2-CB 4.1Å; I429-L434 HydrophobicContact CG2-CD1 4.18Å; I429-L434 HydrophobicContact CG2-CG 4.16Å; M431-L434 WeakPolarHBondContact O-CB 3.49Å; M431-L434 PolarHBondContact O-N 2.67Å; L434-Y436 HydrophobicContact CD2-CD2 3.69Å; L434-Y436 HydrophobicContact CD2-CE2 3.74Å; L434-L443 HydrophobicContact CD2-CD1 3.58Å; L434-L443 WeakPolarHBondContact O-CD1 3.31Å; L434-I447 HydrophobicContact CD1-CD1 4.31Å | ||
| 435 | E | 90.2 | Very high | 92.1 | Very high | 160 Ų | 160 | 84.4 Ų | 84.4 | 75% | 0.748 | 43% | 0.434 | S | S | * | . | trans | -132.8 | 124.4 | -170.8 | -175.2 | 169.7 | -127.6 | 0 | 0 | 108.3 | ||||
| 436 | Y | 92.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 78.3 Ų | 78.3 | 11% | 0.106 | 41% | 0.408 | C | S | . | . | trans | -151.1 | 76.4 | -175.7 | -70.3 | -68.2 | 0 | 0 | 0 | 109.7 | L417 R420 L421 R424 L434 E438 I439 A440 L443 | L417-Y436 HydrophobicContact CD1-CD2 3.79Å; L417-Y436 HydrophobicContact CD1-CE2 3.97Å; R420-Y436 HydrophobicContact CB-CE1 4.06Å; R420-Y436 HydrophobicContact CB-CE2 4.16Å; R420-Y436 HydrophobicContact CG-CD1 4.14Å; R420-Y436 HydrophobicContact CG-CE1 3.84Å; L421-Y436 HydrophobicContact CD2-CE2 4.41Å; R424-Y436 WeakPolarHBondContact CD-OH 3.28Å; R424-Y436 PolarHBondContact NH1-OH 2.89Å; L434-Y436 HydrophobicContact CD2-CD2 3.69Å; L434-Y436 HydrophobicContact CD2-CE2 3.74Å; Y436-E438 PolarHBondContact O-N 2.92Å; Y436-I439 HydrophobicContact CD1-CD1 4.49Å; Y436-I439 HydrophobicContact CD2-CD1 4.27Å; Y436-I439 HydrophobicContact CG-CD1 3.93Å; Y436-I439 WeakPolarHBondContact O-CB 3.39Å; Y436-I439 PolarHBondContact O-N 3.48Å; Y436-A440 PolarHBondContact O-N 3.47Å; Y436-L443 HydrophobicContact CD2-CD1 4.08Å | ||
| 437 | E | 88.9 | Confident | 92.3 | Very high | 153 Ų | 153 | 71 Ų | 71 | 72% | 0.715 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -26.9 | -179.8 | -60.3 | -179.7 | 162.4 | 0 | 0 | 113.1 | I439 | E437-I439 PolarHBondContact O-N 3.08Š|
| 438 | E | 89 | Confident | 92.4 | Very high | 72 Ų | 72 | 74.2 Ų | 74.2 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -4.5 | 178 | 91.9 | -77.1 | -169.2 | 0 | 0 | 114.3 | Y375 K416 R420 Y436 | Y375-E438 PolarHBondContact OH-OE1 2.78Å; K416-E438 PolarHBondContact NZ-O 3.38Å; R420-E438 IonicContact CZ-OE1 2.71Å; R420-E438 IonicContact NE-OE1 3.11Å; R420-E438 PolarHBondContact NE-OE1 3.21Å; R420-E438 IonicContact NH2-OE1 2.72Å; R420-E438 PolarHBondContact NH2-OE1 3.13Å; R420-E438 IonicContact NH2-OE2 2.73Å; Y436-E438 PolarHBondContact O-N 2.92Å |
| 439 | I | 91.1 | Very high | 92.5 | Very high | 14 Ų | 14 | 73.7 Ų | 73.7 | 7% | 0.072 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -64.2 | 177.6 | -53.9 | -175.9 | 0 | 0 | 0 | 109.1 | T413 K416 L417 R420 Y436 E437 L443 | T413-I439 HydrophobicContact CG2-CG2 3.92Å; T413-I439 WeakPolarHBondContact CG2-O 3.32Å; K416-I439 HydrophobicContact CB-CD1 3.85Å; K416-I439 HydrophobicContact CB-CG1 3.93Å; K416-I439 HydrophobicContact CB-CG2 4.26Å; K416-I439 HydrophobicContact CD-CB 4.43Å; K416-I439 HydrophobicContact CD-CG1 4.01Å; K416-I439 HydrophobicContact CD-CG2 4.37Å; L417-I439 HydrophobicContact CB-CD1 4.07Å; L417-I439 HydrophobicContact CB-CG2 4.42Å; L417-I439 HydrophobicContact CD1-CD1 4.32Å; R420-I439 HydrophobicContact CG-CD1 3.97Å; Y436-I439 HydrophobicContact CD1-CD1 4.49Å; Y436-I439 HydrophobicContact CD2-CD1 4.27Å; Y436-I439 HydrophobicContact CG-CD1 3.93Å; Y436-I439 WeakPolarHBondContact O-CB 3.39Å; Y436-I439 PolarHBondContact O-N 3.48Å; E437-I439 PolarHBondContact O-N 3.08Å; I439-L443 HydrophobicContact CB-CD2 4.07Å; I439-L443 HydrophobicContact CG2-CD2 3.93Å |
| 440 | A | 90.4 | Very high | 92.7 | Very high | 29 Ų | 29 | 71.4 Ų | 71.4 | 24% | 0.24 | 37% | 0.368 | C | S | . | . | trans | -162.5 | 157.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y436 D442 L443 | Y436-A440 PolarHBondContact O-N 3.47Å; A440-D442 VanDerWaalsContact CB-O 3.26Å; A440-D442 WeakPolarHBondContact CB-O 3.38Å; A440-L443 HydrophobicContact CB-CD2 4.1Å | ||
| 441 | L | 90 | Very high | 92.9 | Very high | 175 Ų | 175 | 72.3 Ų | 72.3 | 92% | 0.916 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -72.9 | -32.3 | 175 | -62.7 | 176 | 0 | 0 | 0 | 112.5 | ||
| 442 | D | 92.5 | Very high | 93.2 | Very high | 90 Ų | 90 | 73.1 Ų | 73.1 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | trans | -116.9 | 126.5 | 166.9 | 176.5 | 23.9 | 0 | 0 | 0 | 108.5 | A440 T444 P445 | A440-D442 VanDerWaalsContact CB-O 3.26Å; A440-D442 WeakPolarHBondContact CB-O 3.38Å; D442-T444 WeakPolarHBondContact OD1-CB 3.46Å; D442-T444 PolarHBondContact OD1-N 3.2Å; D442-T444 PolarHBondContact OD1-OG1 3.34Å; D442-P445 WeakPolarHBondContact OD2-CD 3.48Å | ||
| 443 | L | 93.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 68.1 Ų | 68.1 | 7% | 0.068 | 35% | 0.353 | C | S | . | . | trans | -99.1 | -5.7 | 179.5 | -64 | 171 | 0 | 0 | 0 | 112.4 | L417 L434 Y436 I439 A440 V446 I447 | L417-L443 HydrophobicContact CD2-CD2 4.49Å; L434-L443 HydrophobicContact CD2-CD1 3.58Å; L434-L443 WeakPolarHBondContact O-CD1 3.31Å; Y436-L443 HydrophobicContact CD2-CD1 4.08Å; I439-L443 HydrophobicContact CB-CD2 4.07Å; I439-L443 HydrophobicContact CG2-CD2 3.93Å; A440-L443 HydrophobicContact CB-CD2 4.1Å; L443-V446 HydrophobicContact CD2-CG2 4.46Å; L443-V446 PolarHBondContact O-N 3.4Å; L443-I447 HydrophobicContact CB-CD1 4.28Å; L443-I447 VanDerWaalsContact O-CG1 3.32Å; L443-I447 WeakPolarHBondContact O-CG1 3.15Å; L443-I447 PolarHBondContact O-N 3.28Å | ||
| 444 | T | 94.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 64.8 Ų | 64.8 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -50.5 | -53.7 | 177.4 | -49.4 | 0 | 0 | 0 | 0 | 113 | D442 V446 I447 E448 | D442-T444 WeakPolarHBondContact OD1-CB 3.46Å; D442-T444 PolarHBondContact OD1-N 3.2Å; D442-T444 PolarHBondContact OD1-OG1 3.34Å; T444-V446 VanDerWaalsContact C-N 3.27Å; T444-V446 PolarHBondContact O-N 3.07Å; T444-I447 PolarHBondContact O-N 3.32Å; T444-E448 PolarHBondContact O-N 2.84Å |
| 445 | P | 95.6 | Very high | 94 | Very high | 73 Ų | 73 | 65.2 Ų | 65.2 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.7 | -27.1 | 178.7 | 26.5 | -35.5 | 0 | 0 | 0 | 113.2 | D442 E449 | D442-P445 WeakPolarHBondContact OD2-CD 3.48Å; P445-E449 WeakPolarHBondContact O-CB 3.45Å; P445-E449 PolarHBondContact O-N 3.14Å |
| 446 | V | 96.5 | Very high | 94.4 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -76.6 | -32.8 | 178.2 | -163.9 | 0 | 0 | 0 | 0 | 111 | L417 L443 T444 L450 | L417-V446 HydrophobicContact CB-CG1 4.01Å; L417-V446 HydrophobicContact CD2-CB 3.95Å; L417-V446 HydrophobicContact CD2-CG1 3.69Å; L417-V446 HydrophobicContact CG-CG1 4.49Å; L443-V446 HydrophobicContact CD2-CG2 4.46Å; L443-V446 PolarHBondContact O-N 3.4Å; T444-V446 VanDerWaalsContact C-N 3.27Å; T444-V446 PolarHBondContact O-N 3.07Å; V446-L450 WeakPolarHBondContact O-CB 3.44Å; V446-L450 VanDerWaalsContact O-CG 3.29Å; V446-L450 WeakPolarHBondContact O-CG 3.45Å; V446-L450 PolarHBondContact O-N 3.37Å; V446-L450 VanDerWaalsContact O-N 3.16Å |
| 447 | I | 95.8 | Very high | 94.5 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.9 | -40 | 171.9 | -67.3 | 163.9 | 0 | 0 | 0 | 110.4 | L417 L434 L443 T444 L450 T451 L456 | L417-I447 HydrophobicContact CD2-CG1 4.06Å; L434-I447 HydrophobicContact CD1-CD1 4.31Å; L443-I447 HydrophobicContact CB-CD1 4.28Å; L443-I447 VanDerWaalsContact O-CG1 3.32Å; L443-I447 WeakPolarHBondContact O-CG1 3.15Å; L443-I447 PolarHBondContact O-N 3.28Å; T444-I447 PolarHBondContact O-N 3.32Å; I447-L450 PolarHBondContact O-N 3.03Å; I447-T451 WeakPolarHBondContact O-CB 3.43Å; I447-T451 PolarHBondContact O-N 3.44Å; I447-T451 PolarHBondContact O-OG1 2.97Å; I447-L456 HydrophobicContact CG2-CD1 4.49Å |
| 448 | E | 96.1 | Very high | 94.7 | Very high | 119 Ų | 119 | 59 Ų | 59 | 56% | 0.556 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.9 | -47.1 | 174.4 | -175.5 | 177.3 | 179.9 | 0 | 0 | 111.3 | T444 L450 T451 N452 | T444-E448 PolarHBondContact O-N 2.84Å; E448-L450 PolarHBondContact O-N 3.27Å; E448-T451 PolarHBondContact O-N 3.23Å; E448-N452 WeakPolarHBondContact O-CB 3.44Å; E448-N452 VanDerWaalsContact O-CG 3.29Å; E448-N452 PolarHBondContact O-N 2.84Å; E448-N452 PolarHBondContact O-ND2 3.09Å |
| 449 | E | 97.6 | Very high | 94.8 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 25% | 0.252 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.6 | -50.8 | 173.4 | -172.2 | -161.4 | 148.3 | 0 | 0 | 111.9 | L410 S411 P445 T451 N452 A453 | L410-E449 WeakPolarHBondContact CA-OE1 3.22Å; L410-E449 HydrophobicContact CD2-CG 4.28Å; L410-E449 WeakPolarHBondContact CD2-OE1 3.39Å; S411-E449 WeakPolarHBondContact CB-OE1 3.26Å; S411-E449 WeakPolarHBondContact CB-OE2 3.24Å; S411-E449 PolarHBondContact N-OE1 2.81Å; S411-E449 VanDerWaalsContact OG-CD 3.29Å; S411-E449 PolarHBondContact OG-OE1 3.11Å; S411-E449 PolarHBondContact OG-OE2 3.13Å; P445-E449 WeakPolarHBondContact O-CB 3.45Å; P445-E449 PolarHBondContact O-N 3.14Å; E449-T451 PolarHBondContact O-N 3.32Å; E449-N452 PolarHBondContact O-N 3.05Å; E449-A453 WeakPolarHBondContact O-CB 3.46Å; E449-A453 PolarHBondContact O-N 3.39Å |
| 450 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.2 | -33.3 | -178.7 | -73 | 172.2 | 0 | 0 | 0 | 113 | L410 L417 V446 I447 E448 G454 F455 L456 | L410-L450 HydrophobicContact CD1-CD2 3.52Å; L410-L450 HydrophobicContact CD2-CD2 3.89Å; L410-L450 HydrophobicContact CG-CD2 4.35Å; L417-L450 HydrophobicContact CB-CD1 4.07Å; L417-L450 HydrophobicContact CD2-CD1 3.85Å; L417-L450 HydrophobicContact CG-CD1 3.87Å; V446-L450 WeakPolarHBondContact O-CB 3.44Å; V446-L450 VanDerWaalsContact O-CG 3.29Å; V446-L450 WeakPolarHBondContact O-CG 3.45Å; V446-L450 PolarHBondContact O-N 3.37Å; V446-L450 VanDerWaalsContact O-N 3.16Å; I447-L450 PolarHBondContact O-N 3.03Å; E448-L450 PolarHBondContact O-N 3.27Å; L450-G454 PolarHBondContact O-N 2.94Å; L450-F455 HydrophobicContact CB-CB 4.42Å; L450-F455 HydrophobicContact CD2-CB 4.04Å; L450-F455 HydrophobicContact CD2-CD2 4.29Å; L450-F455 HydrophobicContact CD2-CG 4.46Å; L450-F455 PolarHBondContact O-N 2.8Å; L450-L456 HydrophobicContact CB-CB 4.23Å; L450-L456 HydrophobicContact CB-CD1 3.74Å; L450-L456 HydrophobicContact CB-CG 3.84Å; L450-L456 HydrophobicContact CD1-CD1 3.67Å; L450-L456 HydrophobicContact CD1-CG 4.23Å; L450-L456 HydrophobicContact CG-CD1 4.36Å; L450-L456 PolarHBondContact O-N 2.9Å |
| 451 | T | 96.8 | Very high | 94.8 | Very high | 38 Ų | 38 | 66.9 Ų | 66.9 | 23% | 0.233 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.1 | -47.3 | 173.5 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | I447 E448 E449 A453 G454 L456 T458 | I447-T451 WeakPolarHBondContact O-CB 3.43Å; I447-T451 PolarHBondContact O-N 3.44Å; I447-T451 PolarHBondContact O-OG1 2.97Å; E448-T451 PolarHBondContact O-N 3.23Å; E449-T451 PolarHBondContact O-N 3.32Å; T451-A453 VanDerWaalsContact C-N 3.28Å; T451-A453 PolarHBondContact O-N 3.4Å; T451-G454 WeakPolarHBondContact O-CA 3.05Å; T451-G454 PolarHBondContact O-N 3.32Å; T451-L456 WeakPolarHBondContact CA-O 2.92Å; T451-T458 HydrophobicContact CG2-CG2 3.81Å |
| 452 | N | 96.6 | Very high | 94.8 | Very high | 125 Ų | 125 | 58.6 Ų | 58.6 | 67% | 0.668 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.3 | -33.7 | 178.5 | -73.9 | -28.3 | 0 | 0 | 0 | 112.7 | E448 E449 G454 | E448-N452 WeakPolarHBondContact O-CB 3.44Å; E448-N452 VanDerWaalsContact O-CG 3.29Å; E448-N452 PolarHBondContact O-N 2.84Å; E448-N452 PolarHBondContact O-ND2 3.09Å; E449-N452 PolarHBondContact O-N 3.05Å; N452-G454 VanDerWaalsContact C-N 3.32Å |
| 453 | A | 96.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 19% | 0.19 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.7 | -21 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K406 L410 E449 T451 F455 | K406-A453 PolarHBondContact NZ-O 3.33Å; L410-A453 HydrophobicContact CD2-CB 3.79Å; E449-A453 WeakPolarHBondContact O-CB 3.46Å; E449-A453 PolarHBondContact O-N 3.39Å; T451-A453 VanDerWaalsContact C-N 3.28Å; T451-A453 PolarHBondContact O-N 3.4Å; A453-F455 HydrophobicContact CB-CD2 3.64Å; A453-F455 HydrophobicContact CB-CE2 4.01Å |
| 454 | G | 96.1 | Very high | 94.6 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 62% | 0.619 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | 23.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L450 T451 N452 | L450-G454 PolarHBondContact O-N 2.94Å; T451-G454 WeakPolarHBondContact O-CA 3.05Å; T451-G454 PolarHBondContact O-N 3.32Å; N452-G454 VanDerWaalsContact C-N 3.32Å |
| 455 | F | 97.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -96 | -22.2 | 178.1 | -73.8 | -70.7 | 0 | 0 | 0 | 114.5 | I403 K406 F407 L410 Y418 L450 A453 | I403-F455 HydrophobicContact CG2-CD1 4.5Å; I403-F455 HydrophobicContact CG2-CE1 3.55Å; I403-F455 HydrophobicContact CG2-CZ 4.06Å; I403-F455 WeakPolarHBondContact O-CZ 3.47Å; K406-F455 HydrophobicContact CB-CE2 3.83Å; K406-F455 HydrophobicContact CB-CZ 3.88Å; F407-F455 HydrophobicContact CB-CE1 4.31Å; F407-F455 HydrophobicContact CB-CE2 4.47Å; F407-F455 HydrophobicContact CB-CZ 3.73Å; L410-F455 HydrophobicContact CD1-CD2 3.82Å; L410-F455 HydrophobicContact CD1-CE2 3.75Å; L410-F455 HydrophobicContact CD1-CZ 4.49Å; L410-F455 HydrophobicContact CD2-CD2 4.13Å; L410-F455 HydrophobicContact CD2-CE2 4.22Å; L410-F455 HydrophobicContact CG-CD2 4.31Å; L410-F455 HydrophobicContact CG-CE2 4.04Å; Y418-F455 HydrophobicContact CD2-CB 3.87Å; Y418-F455 AromaticContact CD2-CD1 3.93Å; Y418-F455 HydrophobicContact CD2-CD1 3.93Å; Y418-F455 HydrophobicContact CD2-CG 4.09Å; Y418-F455 HydrophobicContact CE2-CB 3.99Å; Y418-F455 AromaticContact CE2-CD1 3.46Å; Y418-F455 HydrophobicContact CE2-CD1 3.46Å; Y418-F455 VanDerWaalsContact CE2-CD1 3.46Å; Y418-F455 HydrophobicContact CE2-CE1 4.28Å; Y418-F455 HydrophobicContact CE2-CG 4.05Å; Y418-F455 AromaticContact CZ-CD1 3.91Å; L450-F455 HydrophobicContact CB-CB 4.42Å; L450-F455 HydrophobicContact CD2-CB 4.04Å; L450-F455 HydrophobicContact CD2-CD2 4.29Å; L450-F455 HydrophobicContact CD2-CG 4.46Å; L450-F455 PolarHBondContact O-N 2.8Å; A453-F455 HydrophobicContact CB-CD2 3.64Å; A453-F455 HydrophobicContact CB-CE2 4.01Å |
| 456 | L | 96.7 | Very high | 94.3 | Very high | 42 Ų | 42 | 61.1 Ų | 61.1 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | trans | -127.2 | 143.1 | 176.3 | -69.9 | -178.3 | 0 | 0 | 0 | 110.7 | L421 I447 L450 T451 | L421-L456 HydrophobicContact CD1-CD1 3.91Å; L421-L456 HydrophobicContact CD1-CD2 3.84Å; I447-L456 HydrophobicContact CG2-CD1 4.49Å; L450-L456 HydrophobicContact CB-CB 4.23Å; L450-L456 HydrophobicContact CB-CD1 3.74Å; L450-L456 HydrophobicContact CB-CG 3.84Å; L450-L456 HydrophobicContact CD1-CD1 3.67Å; L450-L456 HydrophobicContact CD1-CG 4.23Å; L450-L456 HydrophobicContact CG-CD1 4.36Å; L450-L456 PolarHBondContact O-N 2.9Å; T451-L456 WeakPolarHBondContact CA-O 2.92Å | ||
| 457 | Q | 95.1 | Very high | 94.2 | Very high | 129 Ų | 129 | 64.7 Ų | 64.7 | 60% | 0.603 | 35% | 0.348 | S | S | * | . | trans | -101.7 | 146.6 | 174.5 | -60 | -170.7 | -78.9 | 0 | 0 | 109.8 | W428 E461 | W428-Q457 HydrophobicContact CH2-CB 3.93Å; Q457-E461 VanDerWaalsContact CA-OE1 3.22Å; Q457-E461 WeakPolarHBondContact CA-OE1 3.27Å; Q457-E461 HydrophobicContact CB-CB 4.41Å; Q457-E461 WeakPolarHBondContact CB-OE1 3.04Å; Q457-E461 WeakPolarHBondContact CG-OE2 3.37Å; Q457-E461 PolarHBondContact NE2-OE2 3.17Å | ||
| 458 | T | 93.6 | Very high | 94.1 | Very high | 38 Ų | 38 | 63.6 Ų | 63.6 | 23% | 0.233 | 34% | 0.343 | C | S | . | . | trans | -98.5 | 167.6 | 180 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | W428 T451 S460 E461 | W428-T458 VanDerWaalsContact CH2-O 3.27Å; W428-T458 WeakPolarHBondContact CH2-O 3.5Å; W428-T458 WeakPolarHBondContact CZ3-O 3.04Å; T451-T458 HydrophobicContact CG2-CG2 3.81Å; T458-S460 PolarHBondContact O-N 3.35Å; T458-S460 WeakPolarHBondContact OG1-CB 3.4Å; T458-E461 PolarHBondContact N-OE1 3.02Å; T458-E461 PolarHBondContact O-N 2.89Å | ||
| 459 | E | 90.8 | Very high | 94 | Very high | 109 Ų | 109 | 58 Ų | 58 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -9.7 | 174.7 | 77.6 | -64.1 | 157.1 | 0 | 0 | 113.3 | E461 K528 | E459-E461 VanDerWaalsContact C-N 3.34Å; E459-K528 WeakPolarHBondContact O-CE 3.5Å; E459-K528 PolarHBondContact O-NZ 3.15Å |
| 460 | S | 89.8 | Confident | 93.7 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 62% | 0.615 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -41.7 | 166.7 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | T458 | T458-S460 PolarHBondContact O-N 3.35Å; T458-S460 WeakPolarHBondContact OG1-CB 3.4Å |
| 461 | E | 92.4 | Very high | 93.6 | Very high | 83 Ų | 83 | 61.9 Ų | 61.9 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -18 | -176.8 | -66.5 | 161.5 | -90.5 | 0 | 0 | 113.2 | Q457 T458 E459 Q463 | Q457-E461 VanDerWaalsContact CA-OE1 3.22Å; Q457-E461 WeakPolarHBondContact CA-OE1 3.27Å; Q457-E461 HydrophobicContact CB-CB 4.41Å; Q457-E461 WeakPolarHBondContact CB-OE1 3.04Å; Q457-E461 WeakPolarHBondContact CG-OE2 3.37Å; Q457-E461 PolarHBondContact NE2-OE2 3.17Å; T458-E461 PolarHBondContact N-OE1 3.02Å; T458-E461 PolarHBondContact O-N 2.89Å; E459-E461 VanDerWaalsContact C-N 3.34Å; E461-Q463 WeakPolarHBondContact O-CG 3.37Å; E461-Q463 PolarHBondContact O-N 3.3Å |
| 462 | L | 90.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | trans | -64.6 | 86.8 | 177.5 | 174.5 | 43 | 0 | 0 | 0 | 111.8 | W428 E467 V468 L471 K528 | W428-L462 HydrophobicContact CD2-CB 4.36Å; W428-L462 HydrophobicContact CD2-CD1 4.29Å; W428-L462 HydrophobicContact CD2-CD2 3.84Å; W428-L462 HydrophobicContact CD2-CG 4.37Å; W428-L462 HydrophobicContact CE3-CB 4.4Å; W428-L462 HydrophobicContact CE3-CD2 4.06Å; W428-L462 HydrophobicContact CG-CD1 4.47Å; W428-L462 HydrophobicContact CG-CD2 4.11Å; W428-L462 HydrophobicContact CH2-CB 3.76Å; W428-L462 HydrophobicContact CZ2-CB 3.68Å; W428-L462 HydrophobicContact CZ2-CD1 4.17Å; W428-L462 HydrophobicContact CZ2-CG 4.34Å; W428-L462 HydrophobicContact CZ3-CB 4.12Å; L462-E467 HydrophobicContact CD1-CB 3.75Å; L462-V468 HydrophobicContact CD1-CG2 3.57Å; L462-V468 HydrophobicContact CD2-CG2 3.91Å; L462-V468 HydrophobicContact CG-CG2 3.59Å; L462-L471 HydrophobicContact CD2-CD2 4.19Å; L462-K528 WeakPolarHBondContact O-CD 3.48Å; L462-K528 WeakPolarHBondContact O-CE 3.27Å; L462-K528 PolarHBondContact O-NZ 2.88Å | ||
| 463 | Q | 90.3 | Very high | 93.2 | Very high | 151 Ų | 151 | 55.5 Ų | 55.5 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | trans | -101.7 | -26.6 | -178 | -67.5 | -178.3 | 28.8 | 0 | 0 | 113.7 | E461 L524 | E461-Q463 WeakPolarHBondContact O-CG 3.37Å; E461-Q463 PolarHBondContact O-N 3.3Å; Q463-L524 WeakPolarHBondContact O-CD1 3.49Å; Q463-L524 WeakPolarHBondContact O-CD2 3.48Å | ||
| 464 | E | 91.6 | Very high | 92.9 | Very high | 97 Ų | 97 | 57.2 Ų | 57.2 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | trans | -77.1 | 130.2 | -177 | -178.4 | 49 | -109.1 | 0 | 0 | 111.8 | S466 E467 V468 | E464-S466 WeakPolarHBondContact CG-OG 3.28Å; E464-S466 PolarHBondContact OE1-N 2.9Å; E464-E467 HydrophobicContact CB-CG 4.14Å; E464-E467 HydrophobicContact CG-CG 4.18Å; E464-E467 PolarHBondContact O-N 3.3Å; E464-V468 PolarHBondContact O-N 3.38Å | ||
| 465 | L | 91.9 | Very high | 92.7 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.9 | -36 | -173.2 | 178 | 59.6 | 0 | 0 | 0 | 112.2 | E467 V468 L469 L501 A504 I523 L524 | L465-E467 PolarHBondContact O-N 3.08Å; L465-V468 PolarHBondContact O-N 3.12Å; L465-L469 HydrophobicContact CD1-CD1 3.92Å; L465-L469 HydrophobicContact CD1-CG 4Å; L465-L469 HydrophobicContact CD2-CD1 4.45Å; L465-L469 HydrophobicContact CG-CD1 3.77Å; L465-L469 HydrophobicContact CG-CG 4.33Å; L465-L469 WeakPolarHBondContact O-CD1 3.42Å; L465-L469 WeakPolarHBondContact O-CG 3.31Å; L465-L469 PolarHBondContact O-N 3.36Å; L465-L469 VanDerWaalsContact O-N 3.13Å; L465-L501 HydrophobicContact CB-CD2 4.33Å; L465-L501 HydrophobicContact CD2-CD2 4.23Å; L465-L501 HydrophobicContact CG-CD2 4.1Å; L465-A504 HydrophobicContact CD2-CB 3.4Å; L465-I523 HydrophobicContact CD1-CB 4.43Å; L465-I523 HydrophobicContact CD1-CG2 3.86Å; L465-I523 HydrophobicContact CD2-CG2 4.37Å; L465-L524 HydrophobicContact CB-CD1 4.25Å; L465-L524 HydrophobicContact CD1-CB 4.22Å; L465-L524 HydrophobicContact CD1-CD1 4.12Å |
| 466 | S | 91.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -34.7 | 176.8 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | E464 L469 E470 | E464-S466 WeakPolarHBondContact CG-OG 3.28Å; E464-S466 PolarHBondContact OE1-N 2.9Å; S466-L469 PolarHBondContact O-N 3.14Å; S466-E470 PolarHBondContact O-N 3.08Å |
| 467 | E | 93.8 | Very high | 92.3 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.6 | -44.2 | -177.8 | -66.7 | 179.7 | -171.2 | 0 | 0 | 111.8 | W428 L462 E464 L465 L469 E470 L471 | W428-E467 PolarHBondContact NE1-OE2 2.9Å; L462-E467 HydrophobicContact CD1-CB 3.75Å; E464-E467 HydrophobicContact CB-CG 4.14Å; E464-E467 HydrophobicContact CG-CG 4.18Å; E464-E467 PolarHBondContact O-N 3.3Å; L465-E467 PolarHBondContact O-N 3.08Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 3.09Å; E467-E470 PolarHBondContact O-N 2.89Å; E467-L471 PolarHBondContact O-N 2.89Å |
| 468 | V | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 173.1 | -167.4 | 0 | 0 | 0 | 0 | 110.9 | L462 E464 L465 E470 L471 L472 L524 A527 K528 | L462-V468 HydrophobicContact CD1-CG2 3.57Å; L462-V468 HydrophobicContact CD2-CG2 3.91Å; L462-V468 HydrophobicContact CG-CG2 3.59Å; E464-V468 PolarHBondContact O-N 3.38Å; L465-V468 PolarHBondContact O-N 3.12Å; V468-E470 VanDerWaalsContact C-N 3.34Å; V468-E470 PolarHBondContact O-N 3.37Å; V468-L471 WeakPolarHBondContact O-CB 3.46Å; V468-L471 PolarHBondContact O-N 3.1Å; V468-L472 WeakPolarHBondContact O-CG 3.36Å; V468-L472 PolarHBondContact O-N 2.97Å; V468-L472 VanDerWaalsContact O-N 3.14Å; V468-L524 HydrophobicContact CG2-CD1 3.61Å; V468-A527 HydrophobicContact CB-CB 4.27Å; V468-A527 HydrophobicContact CG1-CB 3.49Å; V468-A527 VanDerWaalsContact CG1-CB 3.49Å; V468-K528 HydrophobicContact CG1-CG 3.93Å; V468-K528 HydrophobicContact CG2-CD 4.34Å; V468-K528 HydrophobicContact CG2-CG 3.78Å |
| 469 | L | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.4 | -26.9 | 179.8 | -64.3 | 170.6 | 0 | 0 | 0 | 112.8 | L465 S466 E467 L472 L477 L480 K493 V497 F500 L501 A527 | L465-L469 HydrophobicContact CD1-CD1 3.92Å; L465-L469 HydrophobicContact CD1-CG 4Å; L465-L469 HydrophobicContact CD2-CD1 4.45Å; L465-L469 HydrophobicContact CG-CD1 3.77Å; L465-L469 HydrophobicContact CG-CG 4.33Å; L465-L469 WeakPolarHBondContact O-CD1 3.42Å; L465-L469 WeakPolarHBondContact O-CG 3.31Å; L465-L469 PolarHBondContact O-N 3.36Å; L465-L469 VanDerWaalsContact O-N 3.13Å; S466-L469 PolarHBondContact O-N 3.14Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 3.09Å; L469-L472 HydrophobicContact CD2-CD1 4.45Å; L469-L477 HydrophobicContact CD2-CD1 3.66Å; L469-L480 HydrophobicContact CD2-CD2 3.95Å; L469-K493 WeakPolarHBondContact O-CE 3.4Å; L469-V497 HydrophobicContact CB-CG1 4.01Å; L469-V497 HydrophobicContact CB-CG2 4.1Å; L469-V497 HydrophobicContact CD1-CG1 4.28Å; L469-F500 HydrophobicContact CD1-CB 3.58Å; L469-F500 HydrophobicContact CD1-CG 4.32Å; L469-F500 HydrophobicContact CD2-CB 4.29Å; L469-F500 HydrophobicContact CD2-CD2 3.94Å; L469-F500 HydrophobicContact CD2-CG 4.15Å; L469-L501 HydrophobicContact CD1-CD2 4.23Å; L469-L501 HydrophobicContact CD1-CG 4.29Å; L469-A527 HydrophobicContact CD2-CB 4.5Å |
| 470 | E | 92.8 | Very high | 92.1 | Very high | 109 Ų | 109 | 50.7 Ų | 50.7 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.8 | -35.8 | 168 | -165.9 | 177.9 | 157.6 | 0 | 0 | 111.6 | K425 S466 E467 V468 L472 K493 | K425-E470 IonicContact NZ-OE1 3.61Å; K425-E470 PolarHBondContact NZ-OE1 3.3Å; K425-E470 IonicContact NZ-OE2 3.75Å; S466-E470 PolarHBondContact O-N 3.08Å; E467-E470 PolarHBondContact O-N 2.89Å; V468-E470 VanDerWaalsContact C-N 3.34Å; V468-E470 PolarHBondContact O-N 3.37Å; E470-L472 PolarHBondContact O-N 3.21Å; E470-K493 PolarHBondContact O-NZ 3.35Å |
| 471 | L | 93.6 | Very high | 92.2 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 14% | 0.141 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.9 | -34.3 | 177.7 | -175.9 | 59.9 | 0 | 0 | 0 | 113.8 | W428 K430 L462 E467 V468 A531 | W428-L471 HydrophobicContact CB-CD1 4.01Å; W428-L471 HydrophobicContact CB-CD2 4.02Å; W428-L471 HydrophobicContact CB-CG 4.42Å; W428-L471 WeakPolarHBondContact O-CD1 3.37Å; K430-L471 HydrophobicContact CG-CD1 3.63Å; K430-L471 HydrophobicContact CG-CG 4.06Å; L462-L471 HydrophobicContact CD2-CD2 4.19Å; E467-L471 PolarHBondContact O-N 2.89Å; V468-L471 WeakPolarHBondContact O-CB 3.46Å; V468-L471 PolarHBondContact O-N 3.1Å; L471-A531 HydrophobicContact CD2-CB 3.79Å; L471-A531 HydrophobicContact CG-CB 4.43Å |
| 472 | L | 92.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -64.5 | 142.7 | -178.1 | -67.2 | -172.3 | 0 | 0 | 0 | 113.7 | V468 L469 E470 E476 L477 L480 K493 A527 L530 A531 | V468-L472 WeakPolarHBondContact O-CG 3.36Å; V468-L472 PolarHBondContact O-N 2.97Å; V468-L472 VanDerWaalsContact O-N 3.14Å; L469-L472 HydrophobicContact CD2-CD1 4.45Å; E470-L472 PolarHBondContact O-N 3.21Å; L472-E476 VanDerWaalsContact CA-OE2 3.3Å; L472-E476 WeakPolarHBondContact CA-OE2 3.49Å; L472-E476 HydrophobicContact CB-CB 4.23Å; L472-E476 HydrophobicContact CD2-CB 4.19Å; L472-E476 WeakPolarHBondContact CD2-OE2 3.37Å; L472-L477 HydrophobicContact CB-CB 4.44Å; L472-L477 HydrophobicContact CD1-CD1 4.07Å; L472-L480 HydrophobicContact CD1-CD2 3.95Å; L472-K493 PolarHBondContact O-NZ 2.96Å; L472-A527 HydrophobicContact CD1-CB 4.18Å; L472-L530 HydrophobicContact CD2-CB 3.8Å; L472-L530 WeakPolarHBondContact CD2-O 3.34Å; L472-A531 HydrophobicContact CD2-CB 4.37Å |
| 473 | S | 92.1 | Very high | 92.2 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | trans | -74.1 | 163.2 | 169.1 | 77.2 | 0 | 0 | 0 | 0 | 112 | P475 E476 L477 | S473-P475 WeakPolarHBondContact OG-CD 3.39Å; S473-P475 WeakPolarHBondContact OG-CG 3.39Å; S473-E476 VanDerWaalsContact CB-OE1 3.28Å; S473-E476 WeakPolarHBondContact CB-OE1 3.49Å; S473-E476 PolarHBondContact N-OE2 2.87Å; S473-E476 PolarHBondContact O-N 3.03Å; S473-E476 VanDerWaalsContact OG-CG 3.31Å; S473-E476 WeakPolarHBondContact OG-CG 3.45Å; S473-E476 PolarHBondContact OG-OE1 3.01Å; S473-E476 PolarHBondContact OG-OE2 3.46Å; S473-L477 WeakPolarHBondContact O-CB 3.3Å; S473-L477 PolarHBondContact O-N 3.21Å | ||
| 474 | A | 91.1 | Very high | 92.1 | Very high | 58 Ų | 58 | 47.3 Ų | 47.3 | 48% | 0.479 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56 | -45.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K478 | A474-K478 WeakPolarHBondContact O-CG 3.33Å; A474-K478 PolarHBondContact O-N 3.3Å |
| 475 | P | 91.3 | Very high | 91.9 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67.5 | -37.3 | 176.4 | 25.1 | -33.9 | 0 | 0 | 0 | 113.5 | S473 K478 S479 | S473-P475 WeakPolarHBondContact OG-CD 3.39Å; S473-P475 WeakPolarHBondContact OG-CG 3.39Å; P475-K478 PolarHBondContact O-N 2.97Å; P475-S479 WeakPolarHBondContact O-CB 3.43Å; P475-S479 PolarHBondContact O-N 2.97Å |
| 476 | E | 93.4 | Very high | 91.7 | Very high | 46 Ų | 46 | 51.4 Ų | 51.4 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 174 | -70.8 | 151.2 | -139.5 | 0 | 0 | 111 | K430 L472 S473 K478 S479 L480 L530 | K430-E476 WeakPolarHBondContact CE-OE2 3.09Å; K430-E476 IonicContact NZ-OE1 2.62Å; K430-E476 PolarHBondContact NZ-OE1 3.25Å; K430-E476 VanDerWaalsContact NZ-OE1 3.11Å; K430-E476 IonicContact NZ-OE2 3.19Å; K430-E476 PolarHBondContact NZ-OE2 3.35Å; L472-E476 VanDerWaalsContact CA-OE2 3.3Å; L472-E476 WeakPolarHBondContact CA-OE2 3.49Å; L472-E476 HydrophobicContact CB-CB 4.23Å; L472-E476 HydrophobicContact CD2-CB 4.19Å; L472-E476 WeakPolarHBondContact CD2-OE2 3.37Å; S473-E476 VanDerWaalsContact CB-OE1 3.28Å; S473-E476 WeakPolarHBondContact CB-OE1 3.49Å; S473-E476 PolarHBondContact N-OE2 2.87Å; S473-E476 PolarHBondContact O-N 3.03Å; S473-E476 VanDerWaalsContact OG-CG 3.31Å; S473-E476 WeakPolarHBondContact OG-CG 3.45Å; S473-E476 PolarHBondContact OG-OE1 3.01Å; S473-E476 PolarHBondContact OG-OE2 3.46Å; E476-K478 VanDerWaalsContact C-N 3.32Å; E476-K478 PolarHBondContact O-N 2.82Å; E476-S479 WeakPolarHBondContact O-CB 3.37Å; E476-S479 PolarHBondContact O-N 3.11Å; E476-S479 VanDerWaalsContact O-N 3.08Å; E476-L480 PolarHBondContact O-N 3.15Å; E476-L530 HydrophobicContact CB-CB 4.42Å; E476-L530 HydrophobicContact CG-CB 4.5Å |
| 477 | L | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 179.7 | -167.1 | 68.3 | 0 | 0 | 0 | 112 | L469 L472 S473 L480 A481 K493 L496 V497 F500 | L469-L477 HydrophobicContact CD2-CD1 3.66Å; L472-L477 HydrophobicContact CB-CB 4.44Å; L472-L477 HydrophobicContact CD1-CD1 4.07Å; S473-L477 WeakPolarHBondContact O-CB 3.3Å; S473-L477 PolarHBondContact O-N 3.21Å; L477-L480 HydrophobicContact CD1-CD2 4.48Å; L477-A481 VanDerWaalsContact O-CB 3.29Å; L477-A481 WeakPolarHBondContact O-CB 3.31Å; L477-A481 PolarHBondContact O-N 3.09Å; L477-K493 HydrophobicContact CD2-CG 3.77Å; L477-L496 HydrophobicContact CD2-CB 3.6Å; L477-L496 HydrophobicContact CD2-CD2 4.26Å; L477-L496 HydrophobicContact CG-CB 3.94Å; L477-L496 HydrophobicContact CG-CD2 4.01Å; L477-V497 HydrophobicContact CD2-CG2 3.96Å; L477-F500 HydrophobicContact CD1-CD2 3.81Å; L477-F500 HydrophobicContact CD1-CE2 3.6Å; L477-F500 HydrophobicContact CG-CE2 4.19Å |
| 478 | K | 91.7 | Very high | 90.3 | Very high | 70 Ų | 70 | 56.9 Ų | 56.9 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.8 | -36 | 170.9 | -74.3 | -168.4 | 176.1 | -168.4 | 0 | 112.9 | A474 P475 E476 A481 K482 L489 N490 L496 | A474-K478 WeakPolarHBondContact O-CG 3.33Å; A474-K478 PolarHBondContact O-N 3.3Å; P475-K478 PolarHBondContact O-N 2.97Å; E476-K478 VanDerWaalsContact C-N 3.32Å; E476-K478 PolarHBondContact O-N 2.82Å; K478-A481 PolarHBondContact O-N 2.88Å; K478-K482 WeakPolarHBondContact O-CG 3.2Å; K478-K482 PolarHBondContact O-N 2.89Å; K478-K482 VanDerWaalsContact O-N 3.09Å; K478-L489 WeakPolarHBondContact CD-O 3.34Å; K478-L489 VanDerWaalsContact CE-O 3.29Å; K478-L489 WeakPolarHBondContact CE-O 3.41Å; K478-L489 WeakPolarHBondContact CG-O 3.37Å; K478-N490 PolarHBondContact NZ-OD1 3.05Å; K478-L496 HydrophobicContact CG-CD2 4.11Å |
| 479 | S | 91.7 | Very high | 89.5 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 43% | 0.427 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 174.6 | -166.9 | 0 | 0 | 0 | 0 | 111.4 | P475 E476 A481 K482 T483 | P475-S479 WeakPolarHBondContact O-CB 3.43Å; P475-S479 PolarHBondContact O-N 2.97Å; E476-S479 WeakPolarHBondContact O-CB 3.37Å; E476-S479 PolarHBondContact O-N 3.11Å; E476-S479 VanDerWaalsContact O-N 3.08Å; S479-A481 VanDerWaalsContact C-N 3.29Å; S479-A481 PolarHBondContact O-N 3.46Å; S479-K482 PolarHBondContact O-N 3.44Å; S479-T483 PolarHBondContact O-N 3.03Å; S479-T483 VanDerWaalsContact O-N 3.15Å; S479-T483 PolarHBondContact O-OG1 3.17Å |
| 480 | L | 92.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 171.6 | -164.7 | 69.8 | 0 | 0 | 0 | 110.7 | L469 L472 E476 L477 K482 T483 F484 F500 I523 R526 A527 L530 | L469-L480 HydrophobicContact CD2-CD2 3.95Å; L472-L480 HydrophobicContact CD1-CD2 3.95Å; E476-L480 PolarHBondContact O-N 3.15Å; L477-L480 HydrophobicContact CD1-CD2 4.48Å; L480-K482 VanDerWaalsContact C-N 3.33Å; L480-K482 PolarHBondContact O-N 3.45Å; L480-T483 WeakPolarHBondContact O-CB 3.49Å; L480-T483 PolarHBondContact O-N 3.29Å; L480-T483 VanDerWaalsContact O-N 3.09Å; L480-F484 HydrophobicContact CD1-CD2 4.12Å; L480-F484 HydrophobicContact CD1-CE2 3.77Å; L480-F484 HydrophobicContact CG-CD2 4.15Å; L480-F484 HydrophobicContact CG-CE2 4.25Å; L480-F484 WeakPolarHBondContact O-CD2 3.35Å; L480-F484 PolarHBondContact O-N 3.31Å; L480-F484 VanDerWaalsContact O-N 3.08Å; L480-F500 HydrophobicContact CB-CE2 4.37Å; L480-F500 HydrophobicContact CB-CZ 3.81Å; L480-F500 HydrophobicContact CD2-CE1 3.91Å; L480-F500 HydrophobicContact CD2-CE2 3.95Å; L480-F500 HydrophobicContact CD2-CZ 3.58Å; L480-F500 HydrophobicContact CG-CE1 3.86Å; L480-F500 HydrophobicContact CG-CE2 4.26Å; L480-F500 HydrophobicContact CG-CZ 3.49Å; L480-F500 VanDerWaalsContact CG-CZ 3.49Å; L480-I523 HydrophobicContact CD2-CG2 4.35Å; L480-R526 HydrophobicContact CD1-CB 3.65Å; L480-A527 HydrophobicContact CD2-CB 3.9Å; L480-L530 HydrophobicContact CB-CD1 4.01Å; L480-L530 HydrophobicContact CD1-CD1 4.04Å |
| 481 | A | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -35 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L477 K478 S479 H485 L486 L489 L496 F500 | L477-A481 VanDerWaalsContact O-CB 3.29Å; L477-A481 WeakPolarHBondContact O-CB 3.31Å; L477-A481 PolarHBondContact O-N 3.09Å; K478-A481 PolarHBondContact O-N 2.88Å; S479-A481 VanDerWaalsContact C-N 3.29Å; S479-A481 PolarHBondContact O-N 3.46Å; A481-H485 PolarHBondContact O-N 3.24Å; A481-H485 VanDerWaalsContact O-N 3.15Å; A481-L486 HydrophobicContact CB-CB 4.26Å; A481-L486 HydrophobicContact CB-CD1 4.14Å; A481-L486 PolarHBondContact O-N 3.07Å; A481-L489 VanDerWaalsContact C-CD2 3.42Å; A481-L489 HydrophobicContact CB-CD2 3.73Å; A481-L496 HydrophobicContact CB-CD2 3.91Å; A481-F500 HydrophobicContact CB-CE2 4.3Å; A481-F500 HydrophobicContact CB-CZ 4.18Å |
| 482 | K | 91.3 | Very high | 87.7 | Confident | 137 Ų | 137 | 67.2 Ų | 67.2 | 60% | 0.596 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 169.9 | -71.1 | 174.3 | 179 | -176.9 | 0 | 111.5 | K478 S479 L480 F484 H485 L489 | K478-K482 WeakPolarHBondContact O-CG 3.2Å; K478-K482 PolarHBondContact O-N 2.89Å; K478-K482 VanDerWaalsContact O-N 3.09Å; S479-K482 PolarHBondContact O-N 3.44Å; L480-K482 VanDerWaalsContact C-N 3.33Å; L480-K482 PolarHBondContact O-N 3.45Å; K482-F484 VanDerWaalsContact C-N 3.25Å; K482-F484 PolarHBondContact O-N 2.82Å; K482-H485 PolarHBondContact O-N 3.29Å; K482-H485 VanDerWaalsContact O-N 3.14Å; K482-L489 HydrophobicContact CG-CD1 3.92Å; K482-L489 HydrophobicContact CG-CD2 3.95Å |
| 483 | T | 90.8 | Very high | 87.6 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.3 | -32.1 | 179.5 | -52.6 | 0 | 0 | 0 | 0 | 113.1 | S479 L480 | S479-T483 PolarHBondContact O-N 3.03Å; S479-T483 VanDerWaalsContact O-N 3.15Å; S479-T483 PolarHBondContact O-OG1 3.17Å; L480-T483 WeakPolarHBondContact O-CB 3.49Å; L480-T483 PolarHBondContact O-N 3.29Å; L480-T483 VanDerWaalsContact O-N 3.09Å |
| 484 | F | 89 | Confident | 87.5 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 17% | 0.167 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 14.8 | 178 | -72.4 | -83.6 | 0 | 0 | 0 | 113.8 | L480 K482 L486 F500 L503 V522 I523 R526 | L480-F484 HydrophobicContact CD1-CD2 4.12Å; L480-F484 HydrophobicContact CD1-CE2 3.77Å; L480-F484 HydrophobicContact CG-CD2 4.15Å; L480-F484 HydrophobicContact CG-CE2 4.25Å; L480-F484 WeakPolarHBondContact O-CD2 3.35Å; L480-F484 PolarHBondContact O-N 3.31Å; L480-F484 VanDerWaalsContact O-N 3.08Å; K482-F484 VanDerWaalsContact C-N 3.25Å; K482-F484 PolarHBondContact O-N 2.82Å; F484-L486 VanDerWaalsContact C-N 3.26Å; F484-L486 HydrophobicContact CB-CD1 3.88Å; F484-L486 PolarHBondContact O-N 3.09Å; F484-F500 HydrophobicContact CB-CE1 4.09Å; F484-F500 AromaticContact CD2-CE1 3.85Å; F484-F500 HydrophobicContact CD2-CE1 3.85Å; F484-F500 HydrophobicContact CG-CE1 4.16Å; F484-L503 HydrophobicContact CB-CD2 4.14Å; F484-L503 HydrophobicContact CD1-CD2 4.37Å; F484-V522 HydrophobicContact CE1-CG1 4.3Å; F484-V522 HydrophobicContact CZ-CG1 4.16Å; F484-I523 HydrophobicContact CD1-CG1 3.9Å; F484-I523 HydrophobicContact CD2-CG1 4.35Å; F484-I523 HydrophobicContact CE1-CG1 3.51Å; F484-I523 HydrophobicContact CE2-CB 4.39Å; F484-I523 HydrophobicContact CE2-CG1 4Å; F484-I523 HydrophobicContact CG-CG1 4.31Å; F484-I523 HydrophobicContact CZ-CB 4.12Å; F484-I523 HydrophobicContact CZ-CG1 3.56Å; F484-R526 HydrophobicContact CE2-CB 4.05Å; F484-R526 HydrophobicContact CE2-CG 4.23Å; F484-R526 HydrophobicContact CZ-CB 4.34Å; F484-R526 HydrophobicContact CZ-CG 4.17Å |
| 485 | H | 88.1 | Confident | 87.5 | Confident | 167 Ų | 167 | 76.3 Ų | 76.3 | 77% | 0.773 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38.5 | 176.6 | -55.6 | -63.8 | 0 | 0 | 0 | 115.1 | A481 K482 | A481-H485 PolarHBondContact O-N 3.24Å; A481-H485 VanDerWaalsContact O-N 3.15Å; K482-H485 PolarHBondContact O-N 3.29Å; K482-H485 VanDerWaalsContact O-N 3.14Å |
| 486 | L | 86.6 | Confident | 87.5 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | trans | -71.8 | 131.3 | 177.6 | -78.5 | 129.6 | 0 | 0 | 0 | 111.3 | A481 F484 N488 L489 A499 F500 | A481-L486 HydrophobicContact CB-CB 4.26Å; A481-L486 HydrophobicContact CB-CD1 4.14Å; A481-L486 PolarHBondContact O-N 3.07Å; F484-L486 VanDerWaalsContact C-N 3.26Å; F484-L486 HydrophobicContact CB-CD1 3.88Å; F484-L486 PolarHBondContact O-N 3.09Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 2.98Å; L486-L489 WeakPolarHBondContact O-CD2 3.34Å; L486-L489 WeakPolarHBondContact O-CG 3.47Å; L486-A499 HydrophobicContact CD2-CB 3.53Å; L486-F500 HydrophobicContact CD1-CD1 3.83Å; L486-F500 HydrophobicContact CD1-CD2 4.45Å; L486-F500 HydrophobicContact CD1-CE1 3.34Å; L486-F500 HydrophobicContact CD1-CE2 4.02Å; L486-F500 HydrophobicContact CD1-CG 4.35Å; L486-F500 HydrophobicContact CD1-CZ 3.44Å; L486-F500 VanDerWaalsContact CD1-CZ 3.44Å | ||
| 487 | V | 80.5 | Confident | 87.5 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 83% | 0.83 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -55.4 | -43.9 | -173.8 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | L489 | V487-L489 PolarHBondContact O-N 3.19Š|
| 488 | N | 75.7 | Confident | 87.4 | Confident | 109 Ų | 109 | 74.2 Ų | 74.2 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | trans | -97.3 | 59.2 | -170.7 | -67.7 | -0.9 | 0 | 0 | 0 | 112.7 | L486 N490 G491 L496 | L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 2.98Å; N488-N490 PolarHBondContact O-N 2.96Å; N488-G491 PolarHBondContact O-N 3.25Å; N488-L496 WeakPolarHBondContact O-CD1 3.37Å | ||
| 489 | L | 76.4 | Confident | 87.4 | Confident | 58 Ų | 58 | 72.4 Ų | 72.4 | 30% | 0.304 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21.3 | -180 | -61.4 | 179.9 | 0 | 0 | 0 | 114.9 | K478 A481 K482 L486 V487 | K478-L489 WeakPolarHBondContact CD-O 3.34Å; K478-L489 VanDerWaalsContact CE-O 3.29Å; K478-L489 WeakPolarHBondContact CE-O 3.41Å; K478-L489 WeakPolarHBondContact CG-O 3.37Å; A481-L489 VanDerWaalsContact C-CD2 3.42Å; A481-L489 HydrophobicContact CB-CD2 3.73Å; K482-L489 HydrophobicContact CG-CD1 3.92Å; K482-L489 HydrophobicContact CG-CD2 3.95Å; L486-L489 WeakPolarHBondContact O-CD2 3.34Å; L486-L489 WeakPolarHBondContact O-CG 3.47Å; V487-L489 PolarHBondContact O-N 3.19Å |
| 490 | N | 77.4 | Confident | 87.4 | Confident | 139 Ų | 139 | 69.5 Ų | 69.5 | 74% | 0.743 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 10.1 | 178.8 | -80.4 | -32.1 | 0 | 0 | 0 | 114.4 | K478 N488 | K478-N490 PolarHBondContact NZ-OD1 3.05Å; N488-N490 PolarHBondContact O-N 2.96Å |
| 491 | G | 77.5 | Confident | 87.4 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 19% | 0.186 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -62.7 | 168.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N488 L496 | N488-G491 PolarHBondContact O-N 3.25Å; G491-L496 WeakPolarHBondContact O-CD1 3.48Å |
| 492 | Q | 88.8 | Confident | 87.4 | Confident | 139 Ų | 139 | 78.4 Ų | 78.4 | 65% | 0.65 | 40% | 0.399 | S | S | * | . | trans | -63.1 | 150 | 171.7 | -168.1 | -176.8 | 18.8 | 0 | 0 | 110.1 | Q494 Q495 L496 | Q492-Q494 VanDerWaalsContact C-N 3.25Å; Q492-Q494 PolarHBondContact O-N 2.67Å; Q492-Q494 VanDerWaalsContact O-N 3.11Å; Q492-Q495 HydrophobicContact CB-CG 4.21Å; Q492-Q495 WeakPolarHBondContact O-CB 3.37Å; Q492-Q495 PolarHBondContact O-N 3.27Å; Q492-L496 WeakPolarHBondContact O-CD1 3.43Å; Q492-L496 PolarHBondContact O-N 3.28Å | ||
| 493 | K | 88.9 | Confident | 87.3 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -45.1 | -49.9 | -179.6 | 177.2 | 171.5 | 173.4 | 172 | 0 | 112.2 | L469 E470 L472 L477 Q495 L496 V497 | L469-K493 WeakPolarHBondContact O-CE 3.4Å; E470-K493 PolarHBondContact O-NZ 3.35Å; L472-K493 PolarHBondContact O-NZ 2.96Å; L477-K493 HydrophobicContact CD2-CG 3.77Å; K493-Q495 VanDerWaalsContact C-N 3.35Å; K493-Q495 PolarHBondContact O-N 3.18Å; K493-L496 PolarHBondContact O-N 3.21Å; K493-L496 VanDerWaalsContact O-N 3.13Å; K493-V497 HydrophobicContact CG-CG2 4.27Å; K493-V497 WeakPolarHBondContact O-CG2 3.49Å; K493-V497 PolarHBondContact O-N 3.38Å |
| 494 | Q | 90.8 | Very high | 87.2 | Confident | 104 Ų | 104 | 70.9 Ų | 70.9 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | -179.2 | -167.1 | 60.2 | 41.3 | 0 | 0 | 113 | Q492 L496 V497 D498 | Q492-Q494 VanDerWaalsContact C-N 3.25Å; Q492-Q494 PolarHBondContact O-N 2.67Å; Q492-Q494 VanDerWaalsContact O-N 3.11Å; Q494-L496 VanDerWaalsContact C-N 3.27Å; Q494-L496 PolarHBondContact O-N 3.04Å; Q494-V497 WeakPolarHBondContact O-CB 3.29Å; Q494-V497 PolarHBondContact O-N 3.06Å; Q494-V497 VanDerWaalsContact O-N 3.11Å; Q494-D498 PolarHBondContact NE2-OD1 3.33Å; Q494-D498 WeakPolarHBondContact O-CB 3.36Å; Q494-D498 PolarHBondContact O-N 3.41Å |
| 495 | Q | 91.3 | Very high | 87.1 | Confident | 98 Ų | 98 | 77.4 Ų | 77.4 | 46% | 0.458 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 178.3 | -63.5 | 172.3 | -25.9 | 0 | 0 | 112.2 | Q492 K493 A499 | Q492-Q495 HydrophobicContact CB-CG 4.21Å; Q492-Q495 WeakPolarHBondContact O-CB 3.37Å; Q492-Q495 PolarHBondContact O-N 3.27Å; K493-Q495 VanDerWaalsContact C-N 3.35Å; K493-Q495 PolarHBondContact O-N 3.18Å; Q495-A499 WeakPolarHBondContact O-CB 3.43Å; Q495-A499 PolarHBondContact O-N 3.09Å; Q495-A499 VanDerWaalsContact O-N 3.09Å |
| 496 | L | 91 | Very high | 86.8 | Confident | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.6 | -44.4 | 173.4 | -82.1 | 70.9 | 0 | 0 | 0 | 110.8 | L477 K478 A481 N488 G491 Q492 K493 Q494 A499 F500 | L477-L496 HydrophobicContact CD2-CB 3.6Å; L477-L496 HydrophobicContact CD2-CD2 4.26Å; L477-L496 HydrophobicContact CG-CB 3.94Å; L477-L496 HydrophobicContact CG-CD2 4.01Å; K478-L496 HydrophobicContact CG-CD2 4.11Å; A481-L496 HydrophobicContact CB-CD2 3.91Å; N488-L496 WeakPolarHBondContact O-CD1 3.37Å; G491-L496 WeakPolarHBondContact O-CD1 3.48Å; Q492-L496 WeakPolarHBondContact O-CD1 3.43Å; Q492-L496 PolarHBondContact O-N 3.28Å; K493-L496 PolarHBondContact O-N 3.21Å; K493-L496 VanDerWaalsContact O-N 3.13Å; Q494-L496 VanDerWaalsContact C-N 3.27Å; Q494-L496 PolarHBondContact O-N 3.04Å; L496-A499 PolarHBondContact O-N 2.87Å; L496-F500 WeakPolarHBondContact O-CD2 3.13Å; L496-F500 PolarHBondContact O-N 3.43Å |
| 497 | V | 92.6 | Very high | 85.5 | Confident | 9 Ų | 9 | 84.8 Ų | 84.8 | 6% | 0.055 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.5 | -51.1 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | L469 L477 K493 Q494 A499 F500 L501 | L469-V497 HydrophobicContact CB-CG1 4.01Å; L469-V497 HydrophobicContact CB-CG2 4.1Å; L469-V497 HydrophobicContact CD1-CG1 4.28Å; L477-V497 HydrophobicContact CD2-CG2 3.96Å; K493-V497 HydrophobicContact CG-CG2 4.27Å; K493-V497 WeakPolarHBondContact O-CG2 3.49Å; K493-V497 PolarHBondContact O-N 3.38Å; Q494-V497 WeakPolarHBondContact O-CB 3.29Å; Q494-V497 PolarHBondContact O-N 3.06Å; Q494-V497 VanDerWaalsContact O-N 3.11Å; V497-A499 VanDerWaalsContact C-N 3.29Å; V497-A499 PolarHBondContact O-N 3.22Å; V497-F500 PolarHBondContact O-N 3.17Å; V497-F500 VanDerWaalsContact O-N 3.17Å; V497-L501 HydrophobicContact CG1-CD1 3.92Å; V497-L501 HydrophobicContact CG1-CG 4.38Å; V497-L501 WeakPolarHBondContact O-CG 3.41Å; V497-L501 PolarHBondContact O-N 3.28Å |
| 498 | D | 92 | Very high | 84.6 | Confident | 81 Ų | 81 | 80.8 Ų | 80.8 | 43% | 0.433 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 179.4 | -62.2 | -21.4 | 0 | 0 | 0 | 111.6 | Q494 L501 K502 | Q494-D498 PolarHBondContact NE2-OD1 3.33Å; Q494-D498 WeakPolarHBondContact O-CB 3.36Å; Q494-D498 PolarHBondContact O-N 3.41Å; D498-L501 PolarHBondContact O-N 3.4Å; D498-K502 VanDerWaalsContact O-CB 3.28Å; D498-K502 WeakPolarHBondContact O-CB 3.41Å; D498-K502 PolarHBondContact O-N 3.27Å |
| 499 | A | 91.6 | Very high | 83.7 | Confident | 33 Ų | 33 | 82.4 Ų | 82.4 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.2 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L486 Q495 L496 V497 K502 L503 | L486-A499 HydrophobicContact CD2-CB 3.53Å; Q495-A499 WeakPolarHBondContact O-CB 3.43Å; Q495-A499 PolarHBondContact O-N 3.09Å; Q495-A499 VanDerWaalsContact O-N 3.09Å; L496-A499 PolarHBondContact O-N 2.87Å; V497-A499 VanDerWaalsContact C-N 3.29Å; V497-A499 PolarHBondContact O-N 3.22Å; A499-K502 PolarHBondContact O-N 3.13Å; A499-L503 WeakPolarHBondContact O-CB 3.35Å; A499-L503 PolarHBondContact O-N 2.65Å |
| 500 | F | 91.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 171.1 | -83.6 | -64.1 | 0 | 0 | 0 | 112.4 | L469 L477 L480 A481 F484 L486 L496 V497 K502 L503 A504 I523 | L469-F500 HydrophobicContact CD1-CB 3.58Å; L469-F500 HydrophobicContact CD1-CG 4.32Å; L469-F500 HydrophobicContact CD2-CB 4.29Å; L469-F500 HydrophobicContact CD2-CD2 3.94Å; L469-F500 HydrophobicContact CD2-CG 4.15Å; L477-F500 HydrophobicContact CD1-CD2 3.81Å; L477-F500 HydrophobicContact CD1-CE2 3.6Å; L477-F500 HydrophobicContact CG-CE2 4.19Å; L480-F500 HydrophobicContact CB-CE2 4.37Å; L480-F500 HydrophobicContact CB-CZ 3.81Å; L480-F500 HydrophobicContact CD2-CE1 3.91Å; L480-F500 HydrophobicContact CD2-CE2 3.95Å; L480-F500 HydrophobicContact CD2-CZ 3.58Å; L480-F500 HydrophobicContact CG-CE1 3.86Å; L480-F500 HydrophobicContact CG-CE2 4.26Å; L480-F500 HydrophobicContact CG-CZ 3.49Å; L480-F500 VanDerWaalsContact CG-CZ 3.49Å; A481-F500 HydrophobicContact CB-CE2 4.3Å; A481-F500 HydrophobicContact CB-CZ 4.18Å; F484-F500 HydrophobicContact CB-CE1 4.09Å; F484-F500 AromaticContact CD2-CE1 3.85Å; F484-F500 HydrophobicContact CD2-CE1 3.85Å; F484-F500 HydrophobicContact CG-CE1 4.16Å; L486-F500 HydrophobicContact CD1-CD1 3.83Å; L486-F500 HydrophobicContact CD1-CD2 4.45Å; L486-F500 HydrophobicContact CD1-CE1 3.34Å; L486-F500 HydrophobicContact CD1-CE2 4.02Å; L486-F500 HydrophobicContact CD1-CG 4.35Å; L486-F500 HydrophobicContact CD1-CZ 3.44Å; L486-F500 VanDerWaalsContact CD1-CZ 3.44Å; L496-F500 WeakPolarHBondContact O-CD2 3.13Å; L496-F500 PolarHBondContact O-N 3.43Å; V497-F500 PolarHBondContact O-N 3.17Å; V497-F500 VanDerWaalsContact O-N 3.17Å; F500-K502 VanDerWaalsContact C-N 3.29Å; F500-K502 PolarHBondContact O-N 3.47Å; F500-L503 PolarHBondContact O-N 3.08Å; F500-A504 WeakPolarHBondContact O-CB 3.47Å; F500-A504 PolarHBondContact O-N 3.26Å; F500-I523 HydrophobicContact CD1-CD1 4.23Å; F500-I523 HydrophobicContact CD1-CG1 4.38Å; F500-I523 HydrophobicContact CD1-CG2 3.63Å; F500-I523 HydrophobicContact CE1-CG2 4.06Å; F500-I523 HydrophobicContact CG-CG2 4.36Å |
| 501 | L | 91.6 | Very high | 81.2 | Confident | 37 Ų | 37 | 82.8 Ų | 82.8 | 19% | 0.194 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.4 | -33.9 | 176.7 | -67.1 | 174.1 | 0 | 0 | 0 | 111.7 | L465 L469 V497 D498 K505 | L465-L501 HydrophobicContact CB-CD2 4.33Å; L465-L501 HydrophobicContact CD2-CD2 4.23Å; L465-L501 HydrophobicContact CG-CD2 4.1Å; L469-L501 HydrophobicContact CD1-CD2 4.23Å; L469-L501 HydrophobicContact CD1-CG 4.29Å; V497-L501 HydrophobicContact CG1-CD1 3.92Å; V497-L501 HydrophobicContact CG1-CG 4.38Å; V497-L501 WeakPolarHBondContact O-CG 3.41Å; V497-L501 PolarHBondContact O-N 3.28Å; D498-L501 PolarHBondContact O-N 3.4Å; L501-K505 WeakPolarHBondContact O-CD 3.37Å; L501-K505 VanDerWaalsContact O-CG 3.27Å; L501-K505 WeakPolarHBondContact O-CG 3.29Å; L501-K505 PolarHBondContact O-N 3.29Å |
| 502 | K | 91 | Very high | 79.7 | Confident | 151 Ų | 151 | 94.7 Ų | 94.7 | 66% | 0.657 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.2 | -44.6 | 171.4 | -174.1 | 176.3 | -179.5 | 179.1 | 0 | 111.8 | D498 A499 F500 K505 Q506 | D498-K502 VanDerWaalsContact O-CB 3.28Å; D498-K502 WeakPolarHBondContact O-CB 3.41Å; D498-K502 PolarHBondContact O-N 3.27Å; A499-K502 PolarHBondContact O-N 3.13Å; F500-K502 VanDerWaalsContact C-N 3.29Å; F500-K502 PolarHBondContact O-N 3.47Å; K502-K505 PolarHBondContact O-N 3.13Å; K502-Q506 PolarHBondContact O-N 3.17Å |
| 503 | L | 89.5 | Confident | 77.7 | Confident | 29 Ų | 29 | 90.3 Ų | 90.3 | 15% | 0.152 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 177.1 | -178.3 | 61.3 | 0 | 0 | 0 | 111.7 | F484 A499 F500 K505 Q506 I519 I523 | F484-L503 HydrophobicContact CB-CD2 4.14Å; F484-L503 HydrophobicContact CD1-CD2 4.37Å; A499-L503 WeakPolarHBondContact O-CB 3.35Å; A499-L503 PolarHBondContact O-N 2.65Å; F500-L503 PolarHBondContact O-N 3.08Å; L503-K505 PolarHBondContact O-N 3.26Å; L503-Q506 WeakPolarHBondContact O-CB 3.45Å; L503-Q506 PolarHBondContact O-N 3.16Å; L503-Q506 VanDerWaalsContact O-N 3.07Å; L503-I519 HydrophobicContact CD1-CD1 3.79Å; L503-I519 HydrophobicContact CD2-CD1 4.26Å; L503-I519 HydrophobicContact CG-CD1 3.9Å; L503-I519 HydrophobicContact CG-CG1 4.49Å; L503-I519 WeakPolarHBondContact O-CG2 3.45Å; L503-I523 HydrophobicContact CB-CD1 4.33Å; L503-I523 HydrophobicContact CD2-CD1 3.94Å; L503-I523 HydrophobicContact CG-CD1 3.99Å |
| 504 | A | 88.9 | Confident | 75.8 | Confident | 28 Ų | 28 | 95.7 Ų | 95.7 | 23% | 0.231 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.8 | -30.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L465 F500 I523 | L465-A504 HydrophobicContact CD2-CB 3.4Å; F500-A504 WeakPolarHBondContact O-CB 3.47Å; F500-A504 PolarHBondContact O-N 3.26Å; A504-I523 HydrophobicContact CB-CD1 4.26Å |
| 505 | K | 86.9 | Confident | 74 | Confident | 176 Ų | 176 | 98.5 Ų | 98.5 | 77% | 0.765 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.7 | 176.5 | -70.4 | 172.7 | -175.9 | -178.9 | 0 | 113.9 | L501 K502 L503 | L501-K505 WeakPolarHBondContact O-CD 3.37Å; L501-K505 VanDerWaalsContact O-CG 3.27Å; L501-K505 WeakPolarHBondContact O-CG 3.29Å; L501-K505 PolarHBondContact O-N 3.29Å; K502-K505 PolarHBondContact O-N 3.13Å; L503-K505 PolarHBondContact O-N 3.26Å |
| 506 | Q | 81.1 | Confident | 72.4 | Confident | 111 Ų | 111 | 101.4 Ų | 101.4 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -74.9 | 128.7 | 175.1 | -73.7 | 178.8 | -23.6 | 0 | 0 | 110.8 | K502 L503 S508 | K502-Q506 PolarHBondContact O-N 3.17Å; L503-Q506 WeakPolarHBondContact O-CB 3.45Å; L503-Q506 PolarHBondContact O-N 3.16Å; L503-Q506 VanDerWaalsContact O-N 3.07Å; Q506-S508 PolarHBondContact O-N 3.46Å |
| 507 | R | 60.7 | Low | 71.2 | Confident | 240 Ų | 240 | 105.3 Ų | 105.3 | 91% | 0.906 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 116.6 | 172.1 | -74.1 | -179.4 | 169 | 179.4 | -5.1 | 109.1 | V509 | R507-V509 PolarHBondContact O-N 2.91Š|
| 508 | S | 60.7 | Low | 70.6 | Confident | 54 Ų | 54 | 106.8 Ų | 106.8 | 38% | 0.378 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 116.1 | 176.3 | 48.6 | 0 | 0 | 0 | 0 | 111 | Q506 C510 T511 | Q506-S508 PolarHBondContact O-N 3.46Å; S508-C510 VanDerWaalsContact C-N 3.26Å; S508-C510 PolarHBondContact O-N 3.1Å; S508-T511 WeakPolarHBondContact OG-CG2 3.32Å |
| 509 | V | 56.7 | Low | 70.3 | Confident | 142 Ų | 142 | 105.5 Ų | 105.5 | 86% | 0.861 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -71 | -17.1 | -170.8 | -179.3 | 0 | 0 | 0 | 0 | 113.4 | R507 | R507-V509 PolarHBondContact O-N 2.91Š|
| 510 | C | 50.7 | Low | 70.1 | Confident | 110 Ų | 110 | 104.7 Ų | 104.7 | 74% | 0.743 | 54% | 0.538 | S | S | * | . | trans | -117.7 | 69.3 | -176.2 | -61.8 | 0 | 0 | 0 | 0 | 113 | S508 | S508-C510 VanDerWaalsContact C-N 3.26Å; S508-C510 PolarHBondContact O-N 3.1Å | ||
| 511 | T | 52.1 | Low | 69.9 | Low | 95 Ų | 95 | 107 Ų | 107 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | trans | -106.4 | 24.3 | 170.4 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | S508 G513 | S508-T511 WeakPolarHBondContact OG-CG2 3.32Å; T511-G513 VanDerWaalsContact C-N 3.33Å; T511-G513 PolarHBondContact O-N 3.29Å | ||
| 512 | W | 45.3 | Very low | 69.9 | Low | 268 Ų | 268 | 108 Ų | 108 | 100% | 1.015 | 57% | 0.565 | S | S | * | * | trans | -76.1 | 84 | 170.7 | -151.8 | -71.8 | 0 | 0 | 0 | 110.6 | ||||
| 513 | G | 45.8 | Very low | 69.9 | Low | 47 Ų | 47 | 100.9 Ų | 100.9 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 122.5 | 95 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T511 | T511-G513 VanDerWaalsContact C-N 3.33Å; T511-G513 PolarHBondContact O-N 3.29Å |
| 514 | K | 49.2 | Very low | 70 | Confident | 189 Ų | 189 | 101.1 Ų | 101.1 | 82% | 0.822 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 50.7 | 118.5 | 155.1 | -57.8 | -175.3 | -179 | -177.6 | 0 | 118.6 | K516 | K514-K516 VanDerWaalsContact C-N 3.29Å; K514-K516 PolarHBondContact O-N 3.17Å |
| 515 | N | 53.9 | Low | 70.2 | Confident | 163 Ų | 163 | 107.8 Ų | 107.8 | 87% | 0.872 | 56% | 0.559 | S | S | * | * | trans | 61.1 | 13 | 145.5 | -53.3 | 14.1 | 0 | 0 | 0 | 118.6 | ||||
| 516 | K | 57.2 | Low | 70.4 | Confident | 159 Ų | 159 | 106.7 Ų | 106.7 | 69% | 0.691 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 124.1 | 172.7 | -66.7 | -178.7 | -177 | 176 | 0 | 110.1 | K514 | K514-K516 VanDerWaalsContact C-N 3.29Å; K514-K516 PolarHBondContact O-N 3.17Å |
| 517 | P | 66.4 | Low | 70.9 | Confident | 90 Ų | 90 | 101.4 Ų | 101.4 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 145.6 | 175.7 | 28.2 | -34.6 | 0 | 0 | 0 | 110.5 | A521 V522 | P517-A521 HydrophobicContact CB-CB 4.13Å; P517-V522 HydrophobicContact CG-CG2 4.27Å |
| 518 | G | 79.6 | Confident | 72.4 | Confident | 40 Ų | 40 | 93.1 Ų | 93.1 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 154.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G520 A521 V522 | G518-G520 PolarHBondContact O-N 3.5Å; G518-G520 VanDerWaalsContact O-N 3.1Å; G518-A521 WeakPolarHBondContact O-CB 3.28Å; G518-A521 PolarHBondContact O-N 3.03Å; G518-V522 PolarHBondContact O-N 3.26Å |
| 519 | I | 86.7 | Confident | 73.8 | Confident | 54 Ų | 54 | 94.1 Ų | 94.1 | 28% | 0.277 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54.6 | -35.9 | -172.7 | -170.4 | 166.3 | 0 | 0 | 0 | 113.2 | L503 A521 V522 I523 | L503-I519 HydrophobicContact CD1-CD1 3.79Å; L503-I519 HydrophobicContact CD2-CD1 4.26Å; L503-I519 HydrophobicContact CG-CD1 3.9Å; L503-I519 HydrophobicContact CG-CG1 4.49Å; L503-I519 WeakPolarHBondContact O-CG2 3.45Å; I519-A521 VanDerWaalsContact C-N 3.34Å; I519-A521 PolarHBondContact O-N 2.94Å; I519-V522 PolarHBondContact O-N 3.18Å; I519-V522 VanDerWaalsContact O-N 3.12Å; I519-I523 HydrophobicContact CG1-CD1 4.14Å; I519-I523 HydrophobicContact CG1-CG1 4.41Å; I519-I523 VanDerWaalsContact O-CG1 3.32Å; I519-I523 WeakPolarHBondContact O-CG1 3.36Å; I519-I523 PolarHBondContact O-N 3.1Å |
| 520 | G | 86.7 | Confident | 75.3 | Confident | 15 Ų | 15 | 90.1 Ų | 90.1 | 16% | 0.155 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -56.1 | -40.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G518 I523 L524 | G518-G520 PolarHBondContact O-N 3.5Å; G518-G520 VanDerWaalsContact O-N 3.1Å; G520-I523 PolarHBondContact O-N 3.22Å; G520-L524 WeakPolarHBondContact O-CB 3.49Å; G520-L524 PolarHBondContact O-N 3.01Å |
| 521 | A | 88.3 | Confident | 76.8 | Confident | 48 Ų | 48 | 87.9 Ų | 87.9 | 40% | 0.397 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.9 | -27.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P517 G518 I519 K525 | P517-A521 HydrophobicContact CB-CB 4.13Å; G518-A521 WeakPolarHBondContact O-CB 3.28Å; G518-A521 PolarHBondContact O-N 3.03Å; I519-A521 VanDerWaalsContact C-N 3.34Å; I519-A521 PolarHBondContact O-N 2.94Å; A521-K525 WeakPolarHBondContact O-CB 3.19Å; A521-K525 PolarHBondContact O-N 3.14Å |
| 522 | V | 90.6 | Very high | 78 | Confident | 60 Ų | 60 | 87.6 Ų | 87.6 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.9 | -41.3 | 171 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | F484 P517 G518 I519 R526 | F484-V522 HydrophobicContact CE1-CG1 4.3Å; F484-V522 HydrophobicContact CZ-CG1 4.16Å; P517-V522 HydrophobicContact CG-CG2 4.27Å; G518-V522 PolarHBondContact O-N 3.26Å; I519-V522 PolarHBondContact O-N 3.18Å; I519-V522 VanDerWaalsContact O-N 3.12Å; V522-R526 WeakPolarHBondContact O-CB 3.21Å; V522-R526 WeakPolarHBondContact O-CG 3.28Å; V522-R526 PolarHBondContact O-N 3.4Å; V522-R526 VanDerWaalsContact O-N 3.07Å |
| 523 | I | 91.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 172.1 | -61 | 159.5 | 0 | 0 | 0 | 109.5 | L465 L480 F484 F500 L503 A504 I519 G520 K525 R526 A527 | L465-I523 HydrophobicContact CD1-CB 4.43Å; L465-I523 HydrophobicContact CD1-CG2 3.86Å; L465-I523 HydrophobicContact CD2-CG2 4.37Å; L480-I523 HydrophobicContact CD2-CG2 4.35Å; F484-I523 HydrophobicContact CD1-CG1 3.9Å; F484-I523 HydrophobicContact CD2-CG1 4.35Å; F484-I523 HydrophobicContact CE1-CG1 3.51Å; F484-I523 HydrophobicContact CE2-CB 4.39Å; F484-I523 HydrophobicContact CE2-CG1 4Å; F484-I523 HydrophobicContact CG-CG1 4.31Å; F484-I523 HydrophobicContact CZ-CB 4.12Å; F484-I523 HydrophobicContact CZ-CG1 3.56Å; F500-I523 HydrophobicContact CD1-CD1 4.23Å; F500-I523 HydrophobicContact CD1-CG1 4.38Å; F500-I523 HydrophobicContact CD1-CG2 3.63Å; F500-I523 HydrophobicContact CE1-CG2 4.06Å; F500-I523 HydrophobicContact CG-CG2 4.36Å; L503-I523 HydrophobicContact CB-CD1 4.33Å; L503-I523 HydrophobicContact CD2-CD1 3.94Å; L503-I523 HydrophobicContact CG-CD1 3.99Å; A504-I523 HydrophobicContact CB-CD1 4.26Å; I519-I523 HydrophobicContact CG1-CD1 4.14Å; I519-I523 HydrophobicContact CG1-CG1 4.41Å; I519-I523 VanDerWaalsContact O-CG1 3.32Å; I519-I523 WeakPolarHBondContact O-CG1 3.36Å; I519-I523 PolarHBondContact O-N 3.1Å; G520-I523 PolarHBondContact O-N 3.22Å; I523-K525 PolarHBondContact O-N 3.14Å; I523-R526 CarbonylContact O-C 3.59Å; I523-R526 PolarHBondContact O-N 3.2Å; I523-R526 VanDerWaalsContact O-N 3.14Å; I523-A527 VanDerWaalsContact O-CB 3.31Å; I523-A527 WeakPolarHBondContact O-CB 3.32Å; I523-A527 PolarHBondContact O-N 3.15Å |
| 524 | L | 91.8 | Very high | 81.6 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 18% | 0.178 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -54.8 | -51.7 | 177.7 | -174.2 | 74.8 | 0 | 0 | 0 | 111.6 | Q463 L465 V468 G520 R526 A527 K528 | Q463-L524 WeakPolarHBondContact O-CD1 3.49Å; Q463-L524 WeakPolarHBondContact O-CD2 3.48Å; L465-L524 HydrophobicContact CB-CD1 4.25Å; L465-L524 HydrophobicContact CD1-CB 4.22Å; L465-L524 HydrophobicContact CD1-CD1 4.12Å; V468-L524 HydrophobicContact CG2-CD1 3.61Å; G520-L524 WeakPolarHBondContact O-CB 3.49Å; G520-L524 PolarHBondContact O-N 3.01Å; L524-R526 VanDerWaalsContact C-N 3.28Å; L524-R526 PolarHBondContact O-N 3.49Å; L524-A527 PolarHBondContact O-N 2.85Å; L524-K528 HydrophobicContact CD1-CD 4.29Å; L524-K528 HydrophobicContact CG-CD 4.08Å; L524-K528 WeakPolarHBondContact O-CG 3.33Å; L524-K528 PolarHBondContact O-N 3.22Å |
| 525 | K | 92.1 | Very high | 83.5 | Confident | 169 Ų | 169 | 73.4 Ų | 73.4 | 74% | 0.735 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63 | -32.6 | 179.1 | -174.2 | 169.1 | -176.5 | 171.1 | 0 | 112.9 | A521 I523 | A521-K525 WeakPolarHBondContact O-CB 3.19Å; A521-K525 PolarHBondContact O-N 3.14Å; I523-K525 PolarHBondContact O-N 3.14Å |
| 526 | R | 91.9 | Very high | 85.4 | Confident | 153 Ų | 153 | 67.8 Ų | 67.8 | 58% | 0.577 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -77.3 | -35.4 | 175 | -71.7 | -64.8 | -170.1 | -177.9 | 2.4 | 112.7 | L480 F484 V522 I523 L524 A529 | L480-R526 HydrophobicContact CD1-CB 3.65Å; F484-R526 HydrophobicContact CE2-CB 4.05Å; F484-R526 HydrophobicContact CE2-CG 4.23Å; F484-R526 HydrophobicContact CZ-CB 4.34Å; F484-R526 HydrophobicContact CZ-CG 4.17Å; V522-R526 WeakPolarHBondContact O-CB 3.21Å; V522-R526 WeakPolarHBondContact O-CG 3.28Å; V522-R526 PolarHBondContact O-N 3.4Å; V522-R526 VanDerWaalsContact O-N 3.07Å; I523-R526 CarbonylContact O-C 3.59Å; I523-R526 PolarHBondContact O-N 3.2Å; I523-R526 VanDerWaalsContact O-N 3.14Å; L524-R526 VanDerWaalsContact C-N 3.28Å; L524-R526 PolarHBondContact O-N 3.49Å; R526-A529 PolarHBondContact O-N 3Å |
| 527 | A | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V468 L469 L472 L480 I523 L524 A529 L530 A531 | V468-A527 HydrophobicContact CB-CB 4.27Å; V468-A527 HydrophobicContact CG1-CB 3.49Å; V468-A527 VanDerWaalsContact CG1-CB 3.49Å; L469-A527 HydrophobicContact CD2-CB 4.5Å; L472-A527 HydrophobicContact CD1-CB 4.18Å; L480-A527 HydrophobicContact CD2-CB 3.9Å; I523-A527 VanDerWaalsContact O-CB 3.31Å; I523-A527 WeakPolarHBondContact O-CB 3.32Å; I523-A527 PolarHBondContact O-N 3.15Å; L524-A527 PolarHBondContact O-N 2.85Å; A527-A529 PolarHBondContact O-N 3.29Å; A527-L530 PolarHBondContact O-N 3.47Å; A527-A531 PolarHBondContact O-N 2.75Å; A527-A531 VanDerWaalsContact O-N 3.07Å |
| 528 | K | 91.9 | Very high | 88.7 | Confident | 65 Ų | 65 | 59.6 Ų | 59.6 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.6 | 174 | -67.1 | -180 | 70.9 | 168.8 | 0 | 113.7 | E459 L462 V468 L524 | E459-K528 WeakPolarHBondContact O-CE 3.5Å; E459-K528 PolarHBondContact O-NZ 3.15Å; L462-K528 WeakPolarHBondContact O-CD 3.48Å; L462-K528 WeakPolarHBondContact O-CE 3.27Å; L462-K528 PolarHBondContact O-NZ 2.88Å; V468-K528 HydrophobicContact CG1-CG 3.93Å; V468-K528 HydrophobicContact CG2-CD 4.34Å; V468-K528 HydrophobicContact CG2-CG 3.78Å; L524-K528 HydrophobicContact CD1-CD 4.29Å; L524-K528 HydrophobicContact CG-CD 4.08Å; L524-K528 WeakPolarHBondContact O-CG 3.33Å; L524-K528 PolarHBondContact O-N 3.22Å |
| 529 | A | 90.8 | Very high | 89.4 | Confident | 75 Ų | 75 | 61.2 Ų | 61.2 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R526 A527 | R526-A529 PolarHBondContact O-N 3Å; A527-A529 PolarHBondContact O-N 3.29Å |
| 530 | L | 87.8 | Confident | 89.7 | Confident | 59 Ų | 59 | 61.8 Ų | 61.8 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -5.8 | 171.3 | -63.6 | 176.4 | 0 | 0 | 0 | 112.2 | K430 L472 E476 L480 A527 | K430-L530 PolarHBondContact NZ-O 3.03Å; L472-L530 HydrophobicContact CD2-CB 3.8Å; L472-L530 WeakPolarHBondContact CD2-O 3.34Å; E476-L530 HydrophobicContact CB-CB 4.42Å; E476-L530 HydrophobicContact CG-CB 4.5Å; L480-L530 HydrophobicContact CB-CD1 4.01Å; L480-L530 HydrophobicContact CD1-CD1 4.04Å; A527-L530 PolarHBondContact O-N 3.47Å |
| 531 | A | 81.1 | Confident | 89.9 | Confident | 63 Ų | 63 | 66 Ų | 66 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | trans | -73.8 | 0 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | K430 L471 L472 A527 | K430-A531 WeakPolarHBondContact CD-O 3.44Å; K430-A531 WeakPolarHBondContact CE-O 3.44Å; K430-A531 WeakPolarHBondContact CG-O 3.43Å; K430-A531 PolarHBondContact NZ-O 3.35Å; L471-A531 HydrophobicContact CD2-CB 3.79Å; L471-A531 HydrophobicContact CG-CB 4.43Å; L472-A531 HydrophobicContact CD2-CB 4.37Å; A527-A531 PolarHBondContact O-N 2.75Å; A527-A531 VanDerWaalsContact O-N 3.07Å |
Retrieved 531 of 531 residues in 200.1 ms
(Link to these results)