| 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 | 34 | Very low | 38.9 | Very low | 233 Ų | 233 | 144.4 Ų | 144.4 | 100% | 1.148 | 81% | 0.808 | S | S | * | * | 0 | 126.3 | 0 | -82.5 | 177.2 | 167.7 | 0 | 0 | 106.4 | |||||
| 2 | L | 35.8 | Very low | 39.7 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | cis | -166.9 | 116.4 | 7.2 | -95.2 | 160 | 0 | 0 | 0 | 102.9 | ||||
| 3 | T | 35.6 | Very low | 40.3 | Very low | 132 Ų | 132 | 139 Ų | 139 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | 64.3 | 133.2 | 105.9 | 55.5 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 4 | G | 32.6 | Very low | 40.4 | Very low | 62 Ų | 62 | 140.6 Ų | 140.6 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | 115.7 | 97.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 5 | D | 35.7 | Very low | 40.7 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | 65.3 | 120 | 91.2 | -72.4 | -22.8 | 0 | 0 | 0 | 110.1 | |||||
| 6 | T | 39.3 | Very low | 41.2 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | -168.2 | 135.1 | 57.4 | 39 | 0 | 0 | 0 | 0 | 110.7 | D8 | T6-D8 PolarHBondContact O-N 2.92Š| |||
| 7 | N | 36.8 | Very low | 41.3 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | trans | -0.9 | 109.9 | 144.5 | -50.5 | -40.9 | 0 | 0 | 0 | 116 | E9 | N7-E9 HydrophobicContact CB-CG 3.81Å; N7-E9 PolarHBondContact O-N 3.3Å | ||
| 8 | D | 40.3 | Very low | 41.4 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | -68.5 | 81.3 | 150.4 | -76.3 | -54.5 | 0 | 0 | 0 | 106.7 | T6 D10 | T6-D8 PolarHBondContact O-N 2.92Å; D8-D10 PolarHBondContact O-N 3.06Å | ||
| 9 | E | 44.6 | Very low | 41.5 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | -60.8 | 117.6 | 171.8 | -68 | -163.9 | 160.4 | 0 | 0 | 108.5 | N7 V11 | N7-E9 HydrophobicContact CB-CG 3.81Å; N7-E9 PolarHBondContact O-N 3.3Å; E9-V11 PolarHBondContact O-N 3Å | ||
| 10 | D | 42.9 | Very low | 41.5 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -22.7 | 101.1 | 153.6 | -64.1 | -60.2 | 0 | 0 | 0 | 111.3 | D8 S12 | D8-D10 PolarHBondContact O-N 3.06Å; D10-S12 PolarHBondContact O-N 3.16Å | ||
| 11 | V | 50.7 | Low | 41.4 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -56.5 | 108.8 | 172.3 | 178.1 | 0 | 0 | 0 | 0 | 106.5 | E9 L13 | E9-V11 PolarHBondContact O-N 3Å; V11-L13 PolarHBondContact O-N 2.98Å | ||
| 12 | S | 47.9 | Very low | 41.6 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 47% | 0.469 | 73% | 0.727 | S | S | . | * | trans | -51.5 | 87.6 | -166.5 | 43.7 | 0 | 0 | 0 | 0 | 113.2 | D10 F14 D15 | D10-S12 PolarHBondContact O-N 3.16Å; S12-F14 PolarHBondContact O-N 3.38Å; S12-F14 VanDerWaalsContact O-N 3.12Å; S12-D15 PolarHBondContact O-N 2.71Å | ||
| 13 | L | 47.5 | Very low | 42.1 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -61.8 | -8.4 | 159.9 | -161.9 | 82.2 | 0 | 0 | 0 | 111.6 | V11 | V11-L13 PolarHBondContact O-N 2.98Š|
| 14 | F | 41.2 | Very low | 42.7 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -87.6 | -5.9 | 176.6 | -70.5 | -76.5 | 0 | 0 | 0 | 114.6 | S12 A16 | S12-F14 PolarHBondContact O-N 3.38Å; S12-F14 VanDerWaalsContact O-N 3.12Å; F14-A16 PolarHBondContact O-N 3.29Å |
| 15 | D | 46.1 | Very low | 43.2 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 63% | 0.631 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -77 | -7.7 | 168.9 | -96.6 | -25.5 | 0 | 0 | 0 | 112.8 | S12 | S12-D15 PolarHBondContact O-N 2.71Š|
| 16 | A | 47.7 | Very low | 43.9 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -84.8 | -17 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F14 | F14-A16 PolarHBondContact O-N 3.29Š|
| 17 | E | 43.4 | Very low | 44.6 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -18.4 | -179.1 | -83.7 | -166.6 | 124.2 | 0 | 0 | 114.2 | D19 A20 | E17-D19 VanDerWaalsContact C-N 3.3Å; E17-D19 PolarHBondContact O-N 3.49Å; E17-A20 PolarHBondContact O-N 2.87Å |
| 18 | E | 43.1 | Very low | 45.6 | Very low | 156 Ų | 156 | 133 Ų | 133 | 73% | 0.729 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -12.8 | 179.8 | -123.3 | -165.3 | 168 | 0 | 0 | 114.2 | ||
| 19 | D | 43.7 | Very low | 46.5 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 68% | 0.684 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -5.6 | 174.3 | -124.7 | -3.2 | 0 | 0 | 0 | 113.4 | E17 G21 | E17-D19 VanDerWaalsContact C-N 3.3Å; E17-D19 PolarHBondContact O-N 3.49Å; D19-G21 VanDerWaalsContact C-N 3.3Å |
| 20 | A | 40.5 | Very low | 47.5 | Very low | 93 Ų | 93 | 126.3 Ų | 126.3 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -79.5 | -12.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E17 | E17-A20 PolarHBondContact O-N 2.87Š|
| 21 | G | 38.9 | Very low | 48.6 | Very low | 65 Ų | 65 | 122.5 Ų | 122.5 | 67% | 0.67 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -108.3 | -10.1 | -171 | 0 | 0 | 0 | 0 | 0 | 116.4 | D19 R23 | D19-G21 VanDerWaalsContact C-N 3.3Å; G21-R23 VanDerWaalsContact C-N 3.31Å; G21-R23 PolarHBondContact O-N 3.45Å |
| 22 | K | 39.6 | Very low | 49.5 | Very low | 168 Ų | 168 | 120.1 Ų | 120.1 | 73% | 0.73 | 63% | 0.632 | S | S | * | * | trans | -75.1 | 88.5 | 175.6 | -87.5 | 172.4 | -174.6 | 149.5 | 0 | 109.2 | S24 | K22-S24 PolarHBondContact O-N 2.88Š| ||
| 23 | R | 45.8 | Very low | 50.3 | Low | 239 Ų | 239 | 117.4 Ų | 117.4 | 90% | 0.902 | 61% | 0.613 | S | S | * | * | trans | -43.9 | 96 | 150 | -99.3 | -179.1 | 177.6 | 173.7 | 1 | 106.6 | G21 K25 | G21-R23 VanDerWaalsContact C-N 3.31Å; G21-R23 PolarHBondContact O-N 3.45Å; R23-K25 VanDerWaalsContact C-N 3.32Å; R23-K25 PolarHBondContact O-N 3.33Å | ||
| 24 | S | 48.5 | Very low | 51.3 | Low | 76 Ų | 76 | 110.6 Ų | 110.6 | 53% | 0.531 | 58% | 0.578 | S | S | . | * | trans | -52.5 | 102.4 | 174.7 | 179.2 | 0 | 0 | 0 | 0 | 105.7 | K22 K26 | K22-S24 PolarHBondContact O-N 2.88Å; S24-K26 PolarHBondContact O-N 3.07Å | ||
| 25 | K | 43.1 | Very low | 52.9 | Low | 167 Ų | 167 | 108.7 Ų | 108.7 | 73% | 0.726 | 57% | 0.57 | S | S | * | * | trans | -51.7 | 119.5 | 174.8 | -83 | -179.7 | 176 | 175.3 | 0 | 104.4 | R23 N27 | R23-K25 VanDerWaalsContact C-N 3.32Å; R23-K25 PolarHBondContact O-N 3.33Å; K25-N27 PolarHBondContact O-N 2.84Å | ||
| 26 | K | 50.3 | Low | 54.2 | Low | 169 Ų | 169 | 107.5 Ų | 107.5 | 74% | 0.735 | 56% | 0.559 | S | S | * | * | trans | -67 | 52.1 | 178.9 | -63.8 | 178.6 | -178.2 | 173.8 | 0 | 110.6 | S24 I28 | S24-K26 PolarHBondContact O-N 3.07Å; K26-I28 PolarHBondContact O-N 3.29Å | ||
| 27 | N | 53.3 | Low | 55.3 | Low | 106 Ų | 106 | 103.7 Ų | 103.7 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | trans | -80.6 | 110.9 | 177.5 | -75 | -24.2 | 0 | 0 | 0 | 106.4 | K25 K29 S115 | K25-N27 PolarHBondContact O-N 2.84Å; N27-K29 PolarHBondContact O-N 3.04Å; N27-S115 VanDerWaalsContact O-CB 3.28Å; N27-S115 WeakPolarHBondContact O-CB 3.46Å; N27-S115 PolarHBondContact O-OG 3.35Å | ||
| 28 | I | 57.6 | Low | 56.7 | Low | 80 Ų | 80 | 100.5 Ų | 100.5 | 41% | 0.41 | 52% | 0.515 | S | S | . | . | trans | -70.4 | 114.3 | 168.9 | -53.5 | 173.4 | 0 | 0 | 0 | 105.4 | K26 P31 E118 | K26-I28 PolarHBondContact O-N 3.29Å; I28-P31 HydrophobicContact CG2-CB 3.99Å; I28-E118 HydrophobicContact CG2-CG 3.95Å; I28-E118 WeakPolarHBondContact CG2-OE1 3.27Å | ||
| 29 | K | 60.7 | Low | 58.4 | Low | 112 Ų | 112 | 97.4 Ų | 97.4 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -80.9 | -24.6 | -176.4 | -66 | -177 | 179.9 | -178.3 | 0 | 111.8 | N27 Q113 E118 | N27-K29 PolarHBondContact O-N 3.04Å; K29-Q113 PolarHBondContact NZ-O 2.89Å; K29-E118 WeakPolarHBondContact CA-OE1 3.38Å; K29-E118 PolarHBondContact N-OE1 3.33Å |
| 30 | H | 64.1 | Low | 59.8 | Low | 70 Ų | 70 | 93.2 Ų | 93.2 | 32% | 0.324 | 48% | 0.475 | S | S | . | . | trans | -135 | 63.9 | -177.5 | -58.9 | -59.2 | 0 | 0 | 0 | 110.7 | V32 A33 S34 E118 | H30-V32 PolarHBondContact O-N 3.49Å; H30-A33 HydrophobicContact CB-CB 3.88Å; H30-A33 WeakPolarHBondContact O-CB 3.42Å; H30-A33 PolarHBondContact O-N 3.2Å; H30-S34 PolarHBondContact O-N 3.37Å; H30-E118 WeakPolarHBondContact CA-OE1 3.29Å; H30-E118 PolarHBondContact N-OE1 2.82Å | ||
| 31 | P | 67.3 | Low | 61.6 | Low | 75 Ų | 75 | 89.5 Ų | 89.5 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.3 | -33.1 | -177.5 | 23.9 | -33.7 | 0 | 0 | 0 | 112.8 | I28 S34 F35 | I28-P31 HydrophobicContact CG2-CB 3.99Å; P31-S34 PolarHBondContact O-N 3.03Å; P31-F35 WeakPolarHBondContact O-CB 3.37Å; P31-F35 PolarHBondContact O-N 2.83Å |
| 32 | V | 68.4 | Low | 63.6 | Low | 94 Ų | 94 | 90.1 Ų | 90.1 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65 | -39.7 | 175.9 | 180 | 0 | 0 | 0 | 0 | 111.6 | H30 F35 F36 | H30-V32 PolarHBondContact O-N 3.49Å; V32-F35 PolarHBondContact O-N 2.84Å; V32-F36 HydrophobicContact CG1-CD2 3.59Å; V32-F36 HydrophobicContact CG1-CE2 3.43Å; V32-F36 VanDerWaalsContact CG1-CE2 3.43Å; V32-F36 WeakPolarHBondContact O-CD2 3.23Å; V32-F36 PolarHBondContact O-N 3.12Å |
| 33 | A | 65.9 | Low | 65.5 | Low | 10 Ų | 10 | 83.2 Ų | 83.2 | 8% | 0.083 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.9 | -40 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | H30 H37 L83 M84 | H30-A33 HydrophobicContact CB-CB 3.88Å; H30-A33 WeakPolarHBondContact O-CB 3.42Å; H30-A33 PolarHBondContact O-N 3.2Å; A33-H37 VanDerWaalsContact O-CB 3.3Å; A33-H37 WeakPolarHBondContact O-CB 3.42Å; A33-H37 PolarHBondContact O-N 3.22Å; A33-L83 HydrophobicContact CB-CD1 4.24Å; A33-M84 HydrophobicContact CB-CG 4.4Å |
| 34 | S | 68.7 | Low | 67.1 | Low | 8 Ų | 8 | 72 Ų | 72 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 173.9 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | H30 P31 H37 L38 M84 | H30-S34 PolarHBondContact O-N 3.37Å; P31-S34 PolarHBondContact O-N 3.03Å; S34-H37 WeakPolarHBondContact O-CB 3.39Å; S34-H37 PolarHBondContact O-N 2.74Å; S34-L38 WeakPolarHBondContact O-CG 2.85Å; S34-L38 PolarHBondContact O-N 3.34Å; S34-M84 PolarHBondContact OG-SD 2.72Å; S34-M84 VanDerWaalsContact OG-SD 3.33Å |
| 35 | F | 74.8 | Confident | 68.7 | Low | 123 Ų | 123 | 69.4 Ų | 69.4 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62 | -53.3 | 174.5 | 177 | -98 | 0 | 0 | 0 | 111.6 | P31 V32 H37 L38 F39 | P31-F35 WeakPolarHBondContact O-CB 3.37Å; P31-F35 PolarHBondContact O-N 2.83Å; V32-F35 PolarHBondContact O-N 2.84Å; F35-H37 VanDerWaalsContact C-N 3.25Å; F35-H37 PolarHBondContact O-N 3.19Å; F35-L38 PolarHBondContact O-N 3.46Å; F35-L38 VanDerWaalsContact O-N 3.07Å; F35-F39 HydrophobicContact CD1-CB 4.44Å; F35-F39 HydrophobicContact CE1-CB 4.14Å; F35-F39 HydrophobicContact CE1-CD2 4.22Å; F35-F39 HydrophobicContact CE1-CG 4.26Å; F35-F39 HydrophobicContact CZ-CB 4.4Å; F35-F39 HydrophobicContact CZ-CD2 4.03Å; F35-F39 HydrophobicContact CZ-CG 4.46Å; F35-F39 VanDerWaalsContact O-CB 3.32Å; F35-F39 WeakPolarHBondContact O-CB 3.43Å; F35-F39 PolarHBondContact O-N 2.76Å |
| 36 | F | 71.9 | Confident | 70.7 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 40% | 0.404 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.9 | -35.5 | 179.2 | -80.4 | -64.8 | 0 | 0 | 0 | 112.6 | V32 L38 F39 F40 | V32-F36 HydrophobicContact CG1-CD2 3.59Å; V32-F36 HydrophobicContact CG1-CE2 3.43Å; V32-F36 VanDerWaalsContact CG1-CE2 3.43Å; V32-F36 WeakPolarHBondContact O-CD2 3.23Å; V32-F36 PolarHBondContact O-N 3.12Å; F36-L38 PolarHBondContact O-N 2.74Å; F36-F39 PolarHBondContact O-N 3.33Å; F36-F40 HydrophobicContact CB-CD2 4.46Å; F36-F40 HydrophobicContact CB-CE2 4.17Å; F36-F40 AromaticContact CD1-CE2 3.75Å; F36-F40 HydrophobicContact CD1-CE2 3.75Å; F36-F40 HydrophobicContact CD1-CZ 4.18Å; F36-F40 HydrophobicContact CG-CE2 4.35Å; F36-F40 WeakPolarHBondContact O-CD2 3.28Å; F36-F40 PolarHBondContact O-N 2.99Å |
| 37 | H | 72.7 | Confident | 72.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -32.9 | 175.9 | -167.8 | 68.8 | 0 | 0 | 0 | 113.6 | A33 S34 F35 R41 T80 M84 F122 | A33-H37 VanDerWaalsContact O-CB 3.3Å; A33-H37 WeakPolarHBondContact O-CB 3.42Å; A33-H37 PolarHBondContact O-N 3.22Å; S34-H37 WeakPolarHBondContact O-CB 3.39Å; S34-H37 PolarHBondContact O-N 2.74Å; F35-H37 VanDerWaalsContact C-N 3.25Å; F35-H37 PolarHBondContact O-N 3.19Å; H37-R41 PolarHBondContact CD2-NH1 3.38Å; H37-R41 PolarHBondContact CE1-NH1 3.32Å; H37-R41 PolarHBondContact NE2-NH1 2.95Å; H37-R41 WeakPolarHBondContact O-CD 3.37Å; H37-T80 HydrophobicContact CB-CG2 3.89Å; H37-T80 PolarHBondContact ND1-OG1 2.97Å; H37-M84 HydrophobicContact CB-CE 3.73Å; H37-M84 VanDerWaalsContact CG-CE 3.5Å; H37-F122 AromaticContact CE1-CD2 3.52Å; H37-F122 AromaticContact CE1-CE2 3.85Å; H37-F122 AromaticContact NE2-CD2 3.75Å |
| 38 | L | 71.8 | Confident | 73.5 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 42% | 0.419 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -89.5 | -36.8 | 177.1 | -65.2 | 172.8 | 0 | 0 | 0 | 111.2 | S34 F35 F36 R41 V42 I121 | S34-L38 WeakPolarHBondContact O-CG 2.85Å; S34-L38 PolarHBondContact O-N 3.34Å; F35-L38 PolarHBondContact O-N 3.46Å; F35-L38 VanDerWaalsContact O-N 3.07Å; F36-L38 PolarHBondContact O-N 2.74Å; L38-R41 PolarHBondContact O-N 2.77Å; L38-V42 WeakPolarHBondContact O-CB 3.15Å; L38-V42 VanDerWaalsContact O-CG2 3.26Å; L38-V42 WeakPolarHBondContact O-CG2 3.5Å; L38-V42 PolarHBondContact O-N 2.67Å; L38-I121 HydrophobicContact CD1-CG2 4.38Å |
| 39 | F | 78.4 | Confident | 74.7 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 40% | 0.395 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | -176.6 | 177.1 | -98.9 | 0 | 0 | 0 | 112.7 | F35 F36 R41 V42 S43 | F35-F39 HydrophobicContact CD1-CB 4.44Å; F35-F39 HydrophobicContact CE1-CB 4.14Å; F35-F39 HydrophobicContact CE1-CD2 4.22Å; F35-F39 HydrophobicContact CE1-CG 4.26Å; F35-F39 HydrophobicContact CZ-CB 4.4Å; F35-F39 HydrophobicContact CZ-CD2 4.03Å; F35-F39 HydrophobicContact CZ-CG 4.46Å; F35-F39 VanDerWaalsContact O-CB 3.32Å; F35-F39 WeakPolarHBondContact O-CB 3.43Å; F35-F39 PolarHBondContact O-N 2.76Å; F36-F39 PolarHBondContact O-N 3.33Å; F39-R41 VanDerWaalsContact C-N 3.29Å; F39-R41 PolarHBondContact O-N 3.35Å; F39-V42 PolarHBondContact O-N 3.29Å; F39-S43 WeakPolarHBondContact O-CB 3.19Å; F39-S43 PolarHBondContact O-N 3.25Å; F39-S43 PolarHBondContact O-OG 3.48Å |
| 40 | F | 74.1 | Confident | 75.5 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 18% | 0.18 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -36.8 | -178.8 | -72 | -64.7 | 0 | 0 | 0 | 112.2 | F36 A44 C71 D72 T75 | F36-F40 HydrophobicContact CB-CD2 4.46Å; F36-F40 HydrophobicContact CB-CE2 4.17Å; F36-F40 AromaticContact CD1-CE2 3.75Å; F36-F40 HydrophobicContact CD1-CE2 3.75Å; F36-F40 HydrophobicContact CD1-CZ 4.18Å; F36-F40 HydrophobicContact CG-CE2 4.35Å; F36-F40 WeakPolarHBondContact O-CD2 3.28Å; F36-F40 PolarHBondContact O-N 2.99Å; F40-A44 WeakPolarHBondContact O-CB 3.32Å; F40-A44 PolarHBondContact O-N 3.48Å; F40-C71 HydrophobicContact CD1-CB 4.41Å; F40-C71 HydrophobicContact CE1-CB 4.44Å; F40-D72 HydrophobicContact CB-CB 4.05Å; F40-T75 HydrophobicContact CD2-CG2 4.06Å; F40-T75 HydrophobicContact CE2-CG2 3.79Å |
| 41 | R | 78.3 | Confident | 75.9 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70 | -48.5 | 178.5 | -65.3 | -177.5 | 166.3 | 163.3 | -9.6 | 112.7 | H37 L38 F39 S43 A44 T45 D72 G125 | H37-R41 PolarHBondContact CD2-NH1 3.38Å; H37-R41 PolarHBondContact CE1-NH1 3.32Å; H37-R41 PolarHBondContact NE2-NH1 2.95Å; H37-R41 WeakPolarHBondContact O-CD 3.37Å; L38-R41 PolarHBondContact O-N 2.77Å; F39-R41 VanDerWaalsContact C-N 3.29Å; F39-R41 PolarHBondContact O-N 3.35Å; R41-S43 VanDerWaalsContact C-N 3.31Å; R41-S43 PolarHBondContact O-N 3.38Å; R41-A44 PolarHBondContact O-N 3.42Å; R41-T45 PolarHBondContact O-N 2.8Å; R41-T45 PolarHBondContact O-OG1 2.89Å; R41-T45 VanDerWaalsContact O-OG1 3.06Å; R41-D72 WeakPolarHBondContact CG-OD1 3.28Å; R41-D72 IonicContact NE-OD1 3.74Å; R41-D72 IonicContact NE-OD2 3.64Å; R41-D72 PolarHBondContact NE-OD2 3.32Å; R41-G125 PolarHBondContact NH1-O 3.07Å; R41-G125 VanDerWaalsContact NH1-O 3.07Å |
| 42 | V | 79.4 | Confident | 75.8 | Confident | 79 Ų | 79 | 54.4 Ų | 54.4 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | L38 F39 A44 T45 L46 | L38-V42 WeakPolarHBondContact O-CB 3.15Å; L38-V42 VanDerWaalsContact O-CG2 3.26Å; L38-V42 WeakPolarHBondContact O-CG2 3.5Å; L38-V42 PolarHBondContact O-N 2.67Å; F39-V42 PolarHBondContact O-N 3.29Å; V42-A44 PolarHBondContact O-N 3.34Å; V42-T45 PolarHBondContact O-N 3.28Å; V42-L46 HydrophobicContact CG1-CD1 3.77Å; V42-L46 HydrophobicContact CG1-CG 4.11Å; V42-L46 WeakPolarHBondContact O-CB 3.47Å; V42-L46 VanDerWaalsContact O-CG 3.23Å; V42-L46 WeakPolarHBondContact O-CG 3.5Å; V42-L46 PolarHBondContact O-N 3.04Å |
| 43 | S | 79.8 | Confident | 75.6 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 16% | 0.161 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | F39 R41 T45 L46 V47 | F39-S43 WeakPolarHBondContact O-CB 3.19Å; F39-S43 PolarHBondContact O-N 3.25Å; F39-S43 PolarHBondContact O-OG 3.48Å; R41-S43 VanDerWaalsContact C-N 3.31Å; R41-S43 PolarHBondContact O-N 3.38Å; S43-T45 PolarHBondContact O-N 2.99Å; S43-L46 PolarHBondContact O-N 3.49Å; S43-V47 VanDerWaalsContact O-CG2 3.29Å; S43-V47 WeakPolarHBondContact O-CG2 3.5Å; S43-V47 PolarHBondContact O-N 3.38Å |
| 44 | A | 79.8 | Confident | 75.3 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F40 R41 V42 Y48 L68 | F40-A44 WeakPolarHBondContact O-CB 3.32Å; F40-A44 PolarHBondContact O-N 3.48Å; R41-A44 PolarHBondContact O-N 3.42Å; V42-A44 PolarHBondContact O-N 3.34Å; A44-Y48 WeakPolarHBondContact O-CB 3.26Å; A44-Y48 PolarHBondContact O-N 2.96Å; A44-L68 HydrophobicContact CB-CB 4.11Å |
| 45 | T | 82.8 | Confident | 74.8 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 175.8 | -59 | 0 | 0 | 0 | 0 | 112 | R41 V42 S43 Y48 L49 I132 F136 | R41-T45 PolarHBondContact O-N 2.8Å; R41-T45 PolarHBondContact O-OG1 2.89Å; R41-T45 VanDerWaalsContact O-OG1 3.06Å; V42-T45 PolarHBondContact O-N 3.28Å; S43-T45 PolarHBondContact O-N 2.99Å; T45-Y48 PolarHBondContact O-N 2.94Å; T45-L49 HydrophobicContact CG2-CD1 4.18Å; T45-L49 WeakPolarHBondContact O-CG 3.42Å; T45-L49 PolarHBondContact O-N 3.26Å; T45-I132 HydrophobicContact CG2-CG2 4.24Å; T45-F136 HydrophobicContact CG2-CE2 3.94Å; T45-F136 HydrophobicContact CG2-CZ 3.77Å |
| 46 | L | 84 | Confident | 74.1 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 177.2 | -70.5 | 175.3 | 0 | 0 | 0 | 111.1 | V42 S43 Y48 L49 F50 | V42-L46 HydrophobicContact CG1-CD1 3.77Å; V42-L46 HydrophobicContact CG1-CG 4.11Å; V42-L46 WeakPolarHBondContact O-CB 3.47Å; V42-L46 VanDerWaalsContact O-CG 3.23Å; V42-L46 WeakPolarHBondContact O-CG 3.5Å; V42-L46 PolarHBondContact O-N 3.04Å; S43-L46 PolarHBondContact O-N 3.49Å; L46-Y48 VanDerWaalsContact C-N 3.28Å; L46-Y48 PolarHBondContact O-N 2.98Å; L46-L49 PolarHBondContact O-N 3.03Å; L46-F50 HydrophobicContact CB-CD2 4.24Å; L46-F50 HydrophobicContact CD2-CD2 3.93Å; L46-F50 HydrophobicContact CD2-CE2 3.55Å; L46-F50 WeakPolarHBondContact O-CB 3.34Å; L46-F50 VanDerWaalsContact O-CD2 3.27Å; L46-F50 WeakPolarHBondContact O-CD2 3.42Å; L46-F50 PolarHBondContact O-N 3.46Å |
| 47 | V | 81.2 | Confident | 74.4 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | S43 L49 C51 T64 I65 L68 | S43-V47 VanDerWaalsContact O-CG2 3.29Å; S43-V47 WeakPolarHBondContact O-CG2 3.5Å; S43-V47 PolarHBondContact O-N 3.38Å; V47-L49 PolarHBondContact O-N 3.25Å; V47-C51 WeakPolarHBondContact O-CA 3.38Å; V47-C51 WeakPolarHBondContact O-CB 3.4Å; V47-C51 PolarHBondContact O-N 3.37Å; V47-T64 HydrophobicContact CG1-CG2 4.27Å; V47-I65 HydrophobicContact CB-CG1 4.19Å; V47-I65 HydrophobicContact CG1-CD1 4.18Å; V47-I65 HydrophobicContact CG1-CG1 3.59Å; V47-L68 HydrophobicContact CB-CD1 4.29Å; V47-L68 HydrophobicContact CG2-CD1 3.86Å |
| 48 | Y | 82.4 | Confident | 74.8 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 11% | 0.106 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 175 | -178.6 | -93.6 | 0 | 0 | 0 | 112.9 | A44 T45 L46 I65 W133 F136 T140 W148 V152 | A44-Y48 WeakPolarHBondContact O-CB 3.26Å; A44-Y48 PolarHBondContact O-N 2.96Å; T45-Y48 PolarHBondContact O-N 2.94Å; L46-Y48 VanDerWaalsContact C-N 3.28Å; L46-Y48 PolarHBondContact O-N 2.98Å; Y48-I65 HydrophobicContact CD2-CD1 4.25Å; Y48-W133 HydrophobicContact CD2-CH2 4.44Å; Y48-W133 HydrophobicContact CD2-CZ3 4.38Å; Y48-F136 HydrophobicContact CD1-CD1 4.21Å; Y48-F136 AromaticContact CD1-CD2 3.56Å; Y48-F136 HydrophobicContact CD1-CD2 3.56Å; Y48-F136 HydrophobicContact CD1-CE1 4.13Å; Y48-F136 AromaticContact CD1-CE2 3.45Å; Y48-F136 HydrophobicContact CD1-CE2 3.45Å; Y48-F136 VanDerWaalsContact CD1-CE2 3.45Å; Y48-F136 AromaticContact CD1-CG 3.95Å; Y48-F136 HydrophobicContact CD1-CG 3.95Å; Y48-F136 AromaticContact CD1-CZ 3.75Å; Y48-F136 HydrophobicContact CD1-CZ 3.75Å; Y48-F136 HydrophobicContact CE1-CB 3.99Å; Y48-F136 AromaticContact CE1-CD1 3.79Å; Y48-F136 HydrophobicContact CE1-CD1 3.79Å; Y48-F136 AromaticContact CE1-CD2 3.64Å; Y48-F136 HydrophobicContact CE1-CD2 3.64Å; Y48-F136 HydrophobicContact CE1-CE1 4.1Å; Y48-F136 AromaticContact CE1-CE2 3.96Å; Y48-F136 HydrophobicContact CE1-CE2 3.96Å; Y48-F136 AromaticContact CE1-CG 3.54Å; Y48-F136 HydrophobicContact CE1-CG 3.54Å; Y48-F136 HydrophobicContact CE1-CZ 4.18Å; Y48-F136 HydrophobicContact CG-CD2 4.17Å; Y48-F136 HydrophobicContact CG-CE2 4.09Å; Y48-T140 WeakPolarHBondContact OH-CG2 3.21Å; Y48-W148 HydrophobicContact CD2-CE3 4.05Å; Y48-W148 HydrophobicContact CD2-CZ3 4.06Å; Y48-W148 HydrophobicContact CE2-CD2 4.33Å; Y48-W148 AromaticContact CE2-CE3 3.73Å; Y48-W148 HydrophobicContact CE2-CE3 3.73Å; Y48-W148 HydrophobicContact CE2-CZ3 4.2Å; Y48-V152 HydrophobicContact CE2-CG2 3.81Å |
| 49 | L | 81.5 | Confident | 75.5 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 47% | 0.471 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75.7 | -40.9 | -178.3 | -69 | 174 | 0 | 0 | 0 | 113.5 | T45 L46 V47 F136 | T45-L49 HydrophobicContact CG2-CD1 4.18Å; T45-L49 WeakPolarHBondContact O-CG 3.42Å; T45-L49 PolarHBondContact O-N 3.26Å; L46-L49 PolarHBondContact O-N 3.03Å; V47-L49 PolarHBondContact O-N 3.25Å; L49-F136 HydrophobicContact CD1-CZ 4.35Å; L49-F136 HydrophobicContact CD2-CE1 3.86Å; L49-F136 HydrophobicContact CD2-CZ 3.88Å; L49-F136 HydrophobicContact CG-CE1 4.49Å; L49-F136 HydrophobicContact CG-CZ 4.01Å |
| 50 | F | 77.9 | Confident | 75.8 | Confident | 103 Ų | 103 | 65 Ų | 65 | 45% | 0.452 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -97.7 | -8.4 | -172.3 | -67.2 | -77.1 | 0 | 0 | 0 | 113.4 | L46 E52 L53 V54 | L46-F50 HydrophobicContact CB-CD2 4.24Å; L46-F50 HydrophobicContact CD2-CD2 3.93Å; L46-F50 HydrophobicContact CD2-CE2 3.55Å; L46-F50 WeakPolarHBondContact O-CB 3.34Å; L46-F50 VanDerWaalsContact O-CD2 3.27Å; L46-F50 WeakPolarHBondContact O-CD2 3.42Å; L46-F50 PolarHBondContact O-N 3.46Å; F50-E52 VanDerWaalsContact C-N 3.34Å; F50-E52 PolarHBondContact O-N 3.29Å; F50-L53 HydrophobicContact CD1-CD1 3.98Å; F50-L53 HydrophobicContact CE1-CD1 4.47Å; F50-L53 PolarHBondContact O-N 2.96Å; F50-V54 WeakPolarHBondContact O-CG2 3.46Å; F50-V54 PolarHBondContact O-N 3.33Å |
| 51 | C | 72.6 | Confident | 76.3 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.6 | -47.4 | 176.3 | 152.7 | 0 | 0 | 0 | 0 | 112.3 | V47 L53 V54 S55 S61 W148 | V47-C51 WeakPolarHBondContact O-CA 3.38Å; V47-C51 WeakPolarHBondContact O-CB 3.4Å; V47-C51 PolarHBondContact O-N 3.37Å; C51-L53 PolarHBondContact O-N 3.41Å; C51-L53 VanDerWaalsContact O-N 3.16Å; C51-V54 PolarHBondContact O-N 2.84Å; C51-S55 PolarHBondContact O-N 2.7Å; C51-S61 WeakPolarHBondContact SG-CB 3.49Å; C51-S61 PolarHBondContact SG-OG 2.87Å; C51-W148 HydrophobicContact CB-CH2 4.2Å; C51-W148 VanDerWaalsContact SG-CH2 3.53Å |
| 52 | E | 65.7 | Low | 76.7 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 52% | 0.523 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -22.4 | -178.4 | -77 | -172.8 | 166.1 | 0 | 0 | 111.7 | F50 K145 W148 | F50-E52 VanDerWaalsContact C-N 3.34Å; F50-E52 PolarHBondContact O-N 3.29Å; E52-K145 VanDerWaalsContact CD-NZ 3.26Å; E52-K145 IonicContact OE1-NZ 2.84Å; E52-K145 PolarHBondContact OE1-NZ 3.49Å; E52-K145 IonicContact OE2-NZ 2.83Å; E52-K145 PolarHBondContact OE2-NZ 3.23Å; E52-W148 HydrophobicContact CG-CZ2 4.02Å; E52-W148 PolarHBondContact OE1-NE1 3.31Å; E52-W148 VanDerWaalsContact OE1-NE1 3.12Å |
| 53 | L | 63.7 | Low | 77.2 | Confident | 140 Ų | 140 | 64.3 Ų | 64.3 | 73% | 0.733 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -90.8 | -31.6 | 180 | -63.3 | 174.5 | 0 | 0 | 0 | 113.4 | F50 C51 | F50-L53 HydrophobicContact CD1-CD1 3.98Å; F50-L53 HydrophobicContact CE1-CD1 4.47Å; F50-L53 PolarHBondContact O-N 2.96Å; C51-L53 PolarHBondContact O-N 3.41Å; C51-L53 VanDerWaalsContact O-N 3.16Å |
| 54 | V | 58.9 | Low | 77.6 | Confident | 120 Ų | 120 | 66.2 Ų | 66.2 | 73% | 0.727 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -103.4 | -31.1 | -171.3 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | F50 C51 | F50-V54 WeakPolarHBondContact O-CG2 3.46Å; F50-V54 PolarHBondContact O-N 3.33Å; C51-V54 PolarHBondContact O-N 2.84Å |
| 55 | S | 58.3 | Low | 78.1 | Confident | 52 Ų | 52 | 66.1 Ų | 66.1 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -122.8 | 111.8 | -169.8 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | C51 S57 S61 | C51-S55 PolarHBondContact O-N 2.7Å; S55-S57 PolarHBondContact O-N 3.07Å; S55-S61 WeakPolarHBondContact CB-OG 3.28Å | ||
| 56 | G | 61.9 | Low | 78.5 | Confident | 92 Ų | 92 | 67.5 Ų | 67.5 | 95% | 0.948 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -66.6 | -3.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 57 | S | 78.3 | Confident | 78.8 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | trans | -109.8 | 99.6 | -178.1 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | S55 I59 A60 S61 | S55-S57 PolarHBondContact O-N 3.07Å; S57-I59 VanDerWaalsContact C-N 3.31Å; S57-I59 PolarHBondContact O-N 2.99Å; S57-A60 PolarHBondContact O-N 3.33Å; S57-S61 PolarHBondContact O-N 3.38Å; S57-S61 PolarHBondContact O-OG 3.42Å | ||
| 58 | F | 80.9 | Confident | 79.2 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -52.3 | -45.5 | 175.4 | 169.7 | -102.8 | 0 | 0 | 0 | 112.7 | S61 M62 K147 W148 | F58-S61 PolarHBondContact O-N 3.48Å; F58-M62 HydrophobicContact CE1-SD 4.39Å; F58-M62 HydrophobicContact CZ-SD 4.36Å; F58-M62 WeakPolarHBondContact O-CB 2.98Å; F58-M62 PolarHBondContact O-N 3.27Å; F58-K147 HydrophobicContact CE1-CB 4.23Å; F58-K147 HydrophobicContact CE2-CB 3.8Å; F58-K147 HydrophobicContact CZ-CB 3.62Å; F58-K147 VanDerWaalsContact CZ-O 3.26Å; F58-K147 WeakPolarHBondContact CZ-O 3.42Å; F58-W148 HydrophobicContact CD2-CZ2 4.07Å; F58-W148 AromaticContact CE2-CD2 3.97Å; F58-W148 HydrophobicContact CE2-CD2 3.97Å; F58-W148 AromaticContact CE2-CE2 3.85Å; F58-W148 HydrophobicContact CE2-CE3 4.38Å; F58-W148 HydrophobicContact CE2-CG 4.35Å; F58-W148 HydrophobicContact CE2-CZ2 4.18Å |
| 59 | I | 85.8 | Confident | 79.6 | Confident | 122 Ų | 122 | 67.1 Ų | 67.1 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.4 | -47.1 | -175.8 | -61.5 | 162 | 0 | 0 | 0 | 111.5 | S57 S61 M62 V63 | S57-I59 VanDerWaalsContact C-N 3.31Å; S57-I59 PolarHBondContact O-N 2.99Å; I59-S61 PolarHBondContact O-N 2.91Å; I59-M62 WeakPolarHBondContact O-CB 3.25Å; I59-M62 PolarHBondContact O-N 3.41Å; I59-V63 HydrophobicContact CG2-CG2 4.47Å; I59-V63 WeakPolarHBondContact O-CG2 3.2Å; I59-V63 PolarHBondContact O-N 2.82Å |
| 60 | A | 84.9 | Confident | 80.1 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S57 T64 | S57-A60 PolarHBondContact O-N 3.33Å; A60-T64 WeakPolarHBondContact O-CB 3.28Å; A60-T64 PolarHBondContact O-N 2.93Å; A60-T64 PolarHBondContact O-OG1 3.41Å |
| 61 | S | 84.6 | Confident | 80.6 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.028 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.7 | -41 | 179.7 | -51.6 | 0 | 0 | 0 | 0 | 112.5 | C51 S55 S57 F58 I59 V63 T64 I65 | C51-S61 WeakPolarHBondContact SG-CB 3.49Å; C51-S61 PolarHBondContact SG-OG 2.87Å; S55-S61 WeakPolarHBondContact CB-OG 3.28Å; S57-S61 PolarHBondContact O-N 3.38Å; S57-S61 PolarHBondContact O-OG 3.42Å; F58-S61 PolarHBondContact O-N 3.48Å; I59-S61 PolarHBondContact O-N 2.91Å; S61-V63 VanDerWaalsContact C-N 3.34Å; S61-V63 PolarHBondContact O-N 3.06Å; S61-T64 PolarHBondContact O-N 3.05Å; S61-I65 WeakPolarHBondContact O-CD1 3.44Å; S61-I65 VanDerWaalsContact O-CG1 3.28Å; S61-I65 WeakPolarHBondContact O-CG1 3.26Å; S61-I65 PolarHBondContact O-N 3.5Å |
| 62 | M | 86.8 | Confident | 81.4 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -54.9 | -50.3 | 172.1 | -167.5 | -166.7 | 78.9 | 0 | 0 | 111 | F58 I59 T64 I65 I66 V151 | F58-M62 HydrophobicContact CE1-SD 4.39Å; F58-M62 HydrophobicContact CZ-SD 4.36Å; F58-M62 WeakPolarHBondContact O-CB 2.98Å; F58-M62 PolarHBondContact O-N 3.27Å; I59-M62 WeakPolarHBondContact O-CB 3.25Å; I59-M62 PolarHBondContact O-N 3.41Å; M62-T64 VanDerWaalsContact C-N 3.35Å; M62-T64 PolarHBondContact O-N 3.03Å; M62-I65 PolarHBondContact O-N 3.26Å; M62-I66 HydrophobicContact CE-CD1 4.11Å; M62-I66 HydrophobicContact CG-CD1 4.13Å; M62-I66 VanDerWaalsContact O-CG1 3.3Å; M62-I66 WeakPolarHBondContact O-CG1 3.22Å; M62-I66 PolarHBondContact O-N 3.01Å; M62-V151 HydrophobicContact CB-CG2 4.33Å; M62-V151 HydrophobicContact CG-CG2 3.32Å; M62-V151 HydrophobicContact SD-CG2 4.39Å |
| 63 | V | 89.8 | Confident | 82.7 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -45 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | I59 S61 I65 I66 L67 | I59-V63 HydrophobicContact CG2-CG2 4.47Å; I59-V63 WeakPolarHBondContact O-CG2 3.2Å; I59-V63 PolarHBondContact O-N 2.82Å; S61-V63 VanDerWaalsContact C-N 3.34Å; S61-V63 PolarHBondContact O-N 3.06Å; V63-I65 VanDerWaalsContact C-N 3.35Å; V63-I65 PolarHBondContact O-N 2.97Å; V63-I66 PolarHBondContact O-N 3.48Å; V63-L67 HydrophobicContact CG1-CD1 4.02Å; V63-L67 HydrophobicContact CG1-CG 4.39Å; V63-L67 WeakPolarHBondContact O-CG 3.15Å; V63-L67 PolarHBondContact O-N 3.45Å |
| 64 | T | 88.1 | Confident | 84 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 179.1 | -58 | 0 | 0 | 0 | 0 | 111.6 | V47 A60 S61 M62 L67 L68 | V47-T64 HydrophobicContact CG1-CG2 4.27Å; A60-T64 WeakPolarHBondContact O-CB 3.28Å; A60-T64 PolarHBondContact O-N 2.93Å; A60-T64 PolarHBondContact O-OG1 3.41Å; S61-T64 PolarHBondContact O-N 3.05Å; M62-T64 VanDerWaalsContact C-N 3.35Å; M62-T64 PolarHBondContact O-N 3.03Å; T64-L67 PolarHBondContact O-N 2.96Å; T64-L68 HydrophobicContact CG2-CD1 4.16Å; T64-L68 WeakPolarHBondContact O-CG 3.46Å; T64-L68 PolarHBondContact O-N 2.99Å |
| 65 | I | 89.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65 | -42 | 178.4 | -65.3 | 160.3 | 0 | 0 | 0 | 111 | V47 Y48 S61 M62 V63 L67 L68 L69 W133 W148 V151 | V47-I65 HydrophobicContact CB-CG1 4.19Å; V47-I65 HydrophobicContact CG1-CD1 4.18Å; V47-I65 HydrophobicContact CG1-CG1 3.59Å; Y48-I65 HydrophobicContact CD2-CD1 4.25Å; S61-I65 WeakPolarHBondContact O-CD1 3.44Å; S61-I65 VanDerWaalsContact O-CG1 3.28Å; S61-I65 WeakPolarHBondContact O-CG1 3.26Å; S61-I65 PolarHBondContact O-N 3.5Å; M62-I65 PolarHBondContact O-N 3.26Å; V63-I65 VanDerWaalsContact C-N 3.35Å; V63-I65 PolarHBondContact O-N 2.97Å; I65-L67 VanDerWaalsContact C-N 3.34Å; I65-L67 PolarHBondContact O-N 3.19Å; I65-L68 PolarHBondContact O-N 3.37Å; I65-L69 HydrophobicContact CG2-CD1 3.98Å; I65-L69 HydrophobicContact CG2-CG 4.3Å; I65-L69 WeakPolarHBondContact O-CB 3.42Å; I65-L69 WeakPolarHBondContact O-CG 3.46Å; I65-L69 PolarHBondContact O-N 3.43Å; I65-W133 HydrophobicContact CG2-CH2 3.81Å; I65-W133 HydrophobicContact CG2-CZ2 4.45Å; I65-W148 HydrophobicContact CD1-CH2 4.25Å; I65-W148 HydrophobicContact CD1-CZ3 3.66Å; I65-V151 HydrophobicContact CB-CG1 4.13Å; I65-V151 HydrophobicContact CD1-CG1 4.45Å; I65-V151 HydrophobicContact CG2-CG1 3.45Å; I65-V151 VanDerWaalsContact CG2-CG1 3.45Å |
| 66 | I | 91.1 | Very high | 86.9 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 177.6 | -69.7 | 166.5 | 0 | 0 | 0 | 111.2 | M62 V63 L69 S70 | M62-I66 HydrophobicContact CE-CD1 4.11Å; M62-I66 HydrophobicContact CG-CD1 4.13Å; M62-I66 VanDerWaalsContact O-CG1 3.3Å; M62-I66 WeakPolarHBondContact O-CG1 3.22Å; M62-I66 PolarHBondContact O-N 3.01Å; V63-I66 PolarHBondContact O-N 3.48Å; I66-L69 PolarHBondContact O-N 3.16Å; I66-S70 WeakPolarHBondContact O-CB 3.49Å; I66-S70 PolarHBondContact O-N 3.22Å; I66-S70 PolarHBondContact O-OG 3.37Å |
| 67 | L | 90.8 | Very high | 88.3 | Confident | 106 Ų | 106 | 49.8 Ų | 49.8 | 56% | 0.555 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.5 | -46.2 | 176.3 | -70.5 | 174.6 | 0 | 0 | 0 | 111 | V63 T64 I65 L69 S70 C71 | V63-L67 HydrophobicContact CG1-CD1 4.02Å; V63-L67 HydrophobicContact CG1-CG 4.39Å; V63-L67 WeakPolarHBondContact O-CG 3.15Å; V63-L67 PolarHBondContact O-N 3.45Å; T64-L67 PolarHBondContact O-N 2.96Å; I65-L67 VanDerWaalsContact C-N 3.34Å; I65-L67 PolarHBondContact O-N 3.19Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 2.96Å; L67-S70 PolarHBondContact O-N 3.12Å; L67-C71 WeakPolarHBondContact O-CB 3.46Å; L67-C71 PolarHBondContact O-N 2.97Å; L67-C71 PolarHBondContact O-SG 2.84Å; L67-C71 VanDerWaalsContact O-SG 3.34Å |
| 68 | L | 89.3 | Confident | 88.8 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 176 | -72.5 | 171.6 | 0 | 0 | 0 | 112.2 | A44 V47 T64 I65 S70 C71 D72 | A44-L68 HydrophobicContact CB-CB 4.11Å; V47-L68 HydrophobicContact CB-CD1 4.29Å; V47-L68 HydrophobicContact CG2-CD1 3.86Å; T64-L68 HydrophobicContact CG2-CD1 4.16Å; T64-L68 WeakPolarHBondContact O-CG 3.46Å; T64-L68 PolarHBondContact O-N 2.99Å; I65-L68 PolarHBondContact O-N 3.37Å; L68-S70 VanDerWaalsContact C-N 3.33Å; L68-S70 PolarHBondContact O-N 2.84Å; L68-C71 PolarHBondContact O-N 3.4Å; L68-D72 WeakPolarHBondContact O-CB 3.41Å; L68-D72 PolarHBondContact O-N 2.93Å |
| 69 | L | 90.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 176 | -80.2 | 174.2 | 0 | 0 | 0 | 112.5 | I65 I66 L67 D72 F73 W133 L158 | I65-L69 HydrophobicContact CG2-CD1 3.98Å; I65-L69 HydrophobicContact CG2-CG 4.3Å; I65-L69 WeakPolarHBondContact O-CB 3.42Å; I65-L69 WeakPolarHBondContact O-CG 3.46Å; I65-L69 PolarHBondContact O-N 3.43Å; I66-L69 PolarHBondContact O-N 3.16Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 2.96Å; L69-D72 PolarHBondContact O-N 2.83Å; L69-F73 VanDerWaalsContact O-CB 3.28Å; L69-F73 WeakPolarHBondContact O-CB 3.28Å; L69-F73 PolarHBondContact O-N 3.35Å; L69-W133 HydrophobicContact CD1-CH2 3.91Å; L69-W133 HydrophobicContact CD1-CZ2 3.97Å; L69-W133 HydrophobicContact CD2-CH2 4.36Å; L69-W133 HydrophobicContact CD2-CZ2 3.58Å; L69-W133 HydrophobicContact CG-CH2 4.42Å; L69-W133 HydrophobicContact CG-CZ2 4.04Å; L69-L158 HydrophobicContact CB-CD1 4.04Å |
| 70 | S | 91.8 | Very high | 89.1 | Confident | 52 Ų | 52 | 43 Ų | 43 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -72 | -40.5 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | I66 L67 L68 F73 W74 | I66-S70 WeakPolarHBondContact O-CB 3.49Å; I66-S70 PolarHBondContact O-N 3.22Å; I66-S70 PolarHBondContact O-OG 3.37Å; L67-S70 PolarHBondContact O-N 3.12Å; L68-S70 VanDerWaalsContact C-N 3.33Å; L68-S70 PolarHBondContact O-N 2.84Å; S70-F73 PolarHBondContact O-N 2.87Å; S70-W74 WeakPolarHBondContact O-CB 3.4Å; S70-W74 PolarHBondContact O-N 3.49Å |
| 71 | C | 89.9 | Confident | 89.2 | Confident | 61 Ų | 61 | 40.5 Ų | 40.5 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 170.2 | -70.2 | 0 | 0 | 0 | 0 | 111.3 | F40 L67 L68 W74 T75 | F40-C71 HydrophobicContact CD1-CB 4.41Å; F40-C71 HydrophobicContact CE1-CB 4.44Å; L67-C71 WeakPolarHBondContact O-CB 3.46Å; L67-C71 PolarHBondContact O-N 2.97Å; L67-C71 PolarHBondContact O-SG 2.84Å; L67-C71 VanDerWaalsContact O-SG 3.34Å; L68-C71 PolarHBondContact O-N 3.4Å; C71-W74 PolarHBondContact O-N 2.9Å; C71-T75 WeakPolarHBondContact O-CB 3.5Å; C71-T75 WeakPolarHBondContact O-CG2 3.18Å; C71-T75 PolarHBondContact O-N 2.97Å; C71-T75 PolarHBondContact O-OG1 2.9Å |
| 72 | D | 89.3 | Confident | 89.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 174.6 | -172.5 | 63.2 | 0 | 0 | 0 | 110.6 | F40 R41 L68 L69 W74 T75 V76 Q159 | F40-D72 HydrophobicContact CB-CB 4.05Å; R41-D72 WeakPolarHBondContact CG-OD1 3.28Å; R41-D72 IonicContact NE-OD1 3.74Å; R41-D72 IonicContact NE-OD2 3.64Å; R41-D72 PolarHBondContact NE-OD2 3.32Å; L68-D72 WeakPolarHBondContact O-CB 3.41Å; L68-D72 PolarHBondContact O-N 2.93Å; L69-D72 PolarHBondContact O-N 2.83Å; D72-W74 VanDerWaalsContact C-N 3.3Å; D72-W74 PolarHBondContact O-N 3Å; D72-T75 WeakPolarHBondContact CA-OG1 3.19Å; D72-T75 PolarHBondContact O-N 3.1Å; D72-T75 PolarHBondContact O-OG1 3.43Å; D72-V76 WeakPolarHBondContact O-CB 3.45Å; D72-V76 WeakPolarHBondContact O-CG2 3.47Å; D72-V76 PolarHBondContact O-N 3.42Å; D72-Q159 PolarHBondContact OD2-NE2 3.43Å; D72-Q159 PolarHBondContact OD2-OE1 3.31Å |
| 73 | F | 91.2 | Very high | 89.1 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.2 | -48.4 | 178 | 177.3 | -95.5 | 0 | 0 | 0 | 111.5 | L69 S70 K77 W89 L158 A161 N162 | L69-F73 VanDerWaalsContact O-CB 3.28Å; L69-F73 WeakPolarHBondContact O-CB 3.28Å; L69-F73 PolarHBondContact O-N 3.35Å; S70-F73 PolarHBondContact O-N 2.87Å; F73-K77 WeakPolarHBondContact O-CB 3.48Å; F73-K77 PolarHBondContact O-N 2.95Å; F73-W89 HydrophobicContact CZ-CH2 4.4Å; F73-W89 HydrophobicContact CZ-CZ2 4.5Å; F73-L158 HydrophobicContact CB-CB 4.4Å; F73-L158 HydrophobicContact CB-CD2 4.34Å; F73-L158 HydrophobicContact CD1-CD2 4.44Å; F73-L158 HydrophobicContact CD2-CB 3.98Å; F73-L158 HydrophobicContact CD2-CD2 3.86Å; F73-L158 VanDerWaalsContact CD2-O 3.31Å; F73-L158 WeakPolarHBondContact CD2-O 3.44Å; F73-L158 HydrophobicContact CE2-CD2 4.3Å; F73-L158 HydrophobicContact CG-CB 4.47Å; F73-L158 HydrophobicContact CG-CD2 3.95Å; F73-A161 HydrophobicContact CE2-CB 4.22Å; F73-N162 WeakPolarHBondContact CD2-ND2 3.37Å; F73-N162 PolarHBondContact O-ND2 3.24Å |
| 74 | W | 92 | Very high | 88.6 | Confident | 144 Ų | 144 | 43.5 Ų | 43.5 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.1 | -42.9 | -178.8 | -175.7 | 91.2 | 0 | 0 | 0 | 112.7 | S70 C71 D72 K77 N78 I79 | S70-W74 WeakPolarHBondContact O-CB 3.4Å; S70-W74 PolarHBondContact O-N 3.49Å; C71-W74 PolarHBondContact O-N 2.9Å; D72-W74 VanDerWaalsContact C-N 3.3Å; D72-W74 PolarHBondContact O-N 3Å; W74-K77 PolarHBondContact O-N 2.74Å; W74-N78 HydrophobicContact CD2-CB 4.49Å; W74-N78 HydrophobicContact CZ2-CB 4.4Å; W74-N78 PolarHBondContact NE1-ND2 3.06Å; W74-N78 WeakPolarHBondContact O-CB 3.35Å; W74-N78 PolarHBondContact O-N 3.18Å; W74-N78 PolarHBondContact O-ND2 3.34Å; W74-I79 HydrophobicContact CE3-CD1 4.18Å; W74-I79 HydrophobicContact CH2-CD1 3.96Å; W74-I79 HydrophobicContact CH2-CG1 4.42Å; W74-I79 HydrophobicContact CZ3-CD1 3.39Å; W74-I79 HydrophobicContact CZ3-CG1 4.15Å |
| 75 | T | 88.8 | Confident | 88.4 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -38.4 | 178.7 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | F40 C71 D72 I79 T80 | F40-T75 HydrophobicContact CD2-CG2 4.06Å; F40-T75 HydrophobicContact CE2-CG2 3.79Å; C71-T75 WeakPolarHBondContact O-CB 3.5Å; C71-T75 WeakPolarHBondContact O-CG2 3.18Å; C71-T75 PolarHBondContact O-N 2.97Å; C71-T75 PolarHBondContact O-OG1 2.9Å; D72-T75 WeakPolarHBondContact CA-OG1 3.19Å; D72-T75 PolarHBondContact O-N 3.1Å; D72-T75 PolarHBondContact O-OG1 3.43Å; T75-I79 HydrophobicContact CG2-CD1 4.31Å; T75-I79 WeakPolarHBondContact O-CB 3.44Å; T75-I79 PolarHBondContact O-N 3.48Å; T75-I79 VanDerWaalsContact O-N 3.07Å; T75-T80 PolarHBondContact O-N 3.47Å; T75-T80 PolarHBondContact O-OG1 2.83Å |
| 76 | V | 89.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -59.4 | -54.5 | 172.7 | 174.3 | 0 | 0 | 0 | 0 | 110 | D72 T80 G81 F122 L126 N162 Y166 | D72-V76 WeakPolarHBondContact O-CB 3.45Å; D72-V76 WeakPolarHBondContact O-CG2 3.47Å; D72-V76 PolarHBondContact O-N 3.42Å; V76-T80 WeakPolarHBondContact CA-OG1 3.3Å; V76-T80 PolarHBondContact O-OG1 3.44Å; V76-G81 PolarHBondContact O-N 3.4Å; V76-F122 HydrophobicContact CG1-CE2 4.32Å; V76-L126 HydrophobicContact CG1-CD1 4.03Å; V76-N162 HydrophobicContact CG1-CB 4.03Å; V76-Y166 HydrophobicContact CG1-CE2 3.9Å; V76-Y166 PolarHBondContact O-OH 3.21Å |
| 77 | K | 89.7 | Confident | 88 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -60.7 | -47.4 | -177.2 | -179.9 | 59.2 | 150.7 | 156.3 | 0 | 114.3 | F73 W74 W89 Y166 | F73-K77 WeakPolarHBondContact O-CB 3.48Å; F73-K77 PolarHBondContact O-N 2.95Å; W74-K77 PolarHBondContact O-N 2.74Å; K77-W89 HydrophobicContact CD-CD2 4.27Å; K77-W89 HydrophobicContact CD-CH2 4.37Å; K77-W89 HydrophobicContact CD-CZ2 3.57Å; K77-W89 VanDerWaalsContact CE-CE2 3.48Å; K77-W89 VanDerWaalsContact NZ-C 3.33Å; K77-W89 VanDerWaalsContact NZ-CG 3.29Å; K77-W89 VanDerWaalsContact NZ-CZ2 3.32Å; K77-W89 PolarHBondContact NZ-O 3.25Å; K77-Y166 WeakPolarHBondContact CA-OH 3.49Å; K77-Y166 PolarHBondContact O-OH 2.66Å |
| 78 | N | 89.1 | Confident | 87.9 | Confident | 55 Ų | 55 | 39 Ų | 39 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -105.3 | -31.6 | -165.4 | -67.6 | -65.8 | 0 | 0 | 0 | 114.3 | W74 R82 | W74-N78 HydrophobicContact CD2-CB 4.49Å; W74-N78 HydrophobicContact CZ2-CB 4.4Å; W74-N78 PolarHBondContact NE1-ND2 3.06Å; W74-N78 WeakPolarHBondContact O-CB 3.35Å; W74-N78 PolarHBondContact O-N 3.18Å; W74-N78 PolarHBondContact O-ND2 3.34Å; N78-R82 VanDerWaalsContact O-CD 3.22Å; N78-R82 WeakPolarHBondContact O-CD 3.14Å; N78-R82 WeakPolarHBondContact O-CG 3.25Å; N78-R82 PolarHBondContact O-NE 3.49Å |
| 79 | I | 87.4 | Confident | 88 | Confident | 65 Ų | 65 | 38.5 Ų | 38.5 | 33% | 0.333 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -104.3 | -66.7 | -174.2 | -62.9 | 168.4 | 0 | 0 | 0 | 109.2 | W74 T75 G81 R82 L83 | W74-I79 HydrophobicContact CE3-CD1 4.18Å; W74-I79 HydrophobicContact CH2-CD1 3.96Å; W74-I79 HydrophobicContact CH2-CG1 4.42Å; W74-I79 HydrophobicContact CZ3-CD1 3.39Å; W74-I79 HydrophobicContact CZ3-CG1 4.15Å; T75-I79 HydrophobicContact CG2-CD1 4.31Å; T75-I79 WeakPolarHBondContact O-CB 3.44Å; T75-I79 PolarHBondContact O-N 3.48Å; T75-I79 VanDerWaalsContact O-N 3.07Å; I79-G81 PolarHBondContact O-N 2.93Å; I79-R82 PolarHBondContact O-N 3.01Å; I79-R82 VanDerWaalsContact O-N 3.14Å; I79-L83 HydrophobicContact CG2-CD1 3.73Å; I79-L83 WeakPolarHBondContact O-CB 3.43Å; I79-L83 WeakPolarHBondContact O-CG 3.34Å; I79-L83 PolarHBondContact O-N 3.23Å |
| 80 | T | 86.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -71.9 | -34.6 | -167.2 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | H37 T75 V76 R82 L83 M84 | H37-T80 HydrophobicContact CB-CG2 3.89Å; H37-T80 PolarHBondContact ND1-OG1 2.97Å; T75-T80 PolarHBondContact O-N 3.47Å; T75-T80 PolarHBondContact O-OG1 2.83Å; V76-T80 WeakPolarHBondContact CA-OG1 3.3Å; V76-T80 PolarHBondContact O-OG1 3.44Å; T80-R82 VanDerWaalsContact C-N 3.3Å; T80-R82 PolarHBondContact O-N 3.43Å; T80-L83 PolarHBondContact O-N 3.31Å; T80-M84 VanDerWaalsContact CB-CE 3.49Å; T80-M84 HydrophobicContact CG2-CE 3.98Å; T80-M84 VanDerWaalsContact O-CB 3.3Å; T80-M84 WeakPolarHBondContact O-CB 3.37Å; T80-M84 PolarHBondContact O-N 2.96Å |
| 81 | G | 86 | Confident | 88 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -37.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V76 I79 V85 G86 L87 | V76-G81 PolarHBondContact O-N 3.4Å; I79-G81 PolarHBondContact O-N 2.93Å; G81-V85 WeakPolarHBondContact O-CG2 3.3Å; G81-G86 PolarHBondContact O-N 2.88Å; G81-L87 CarbonylContact C-O 3.33Å; G81-L87 PolarHBondContact O-N 2.84Å |
| 82 | R | 87 | Confident | 88 | Confident | 111 Ų | 111 | 43.2 Ų | 43.2 | 42% | 0.419 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -77.6 | -41.5 | 178.8 | -61.8 | -170.1 | -173.2 | -156.3 | 4.5 | 112.4 | N78 I79 T80 G86 R88 | N78-R82 VanDerWaalsContact O-CD 3.22Å; N78-R82 WeakPolarHBondContact O-CD 3.14Å; N78-R82 WeakPolarHBondContact O-CG 3.25Å; N78-R82 PolarHBondContact O-NE 3.49Å; I79-R82 PolarHBondContact O-N 3.01Å; I79-R82 VanDerWaalsContact O-N 3.14Å; T80-R82 VanDerWaalsContact C-N 3.3Å; T80-R82 PolarHBondContact O-N 3.43Å; R82-G86 VanDerWaalsContact O-CA 3.3Å; R82-G86 WeakPolarHBondContact O-CA 3.48Å; R82-G86 PolarHBondContact O-N 3.2Å; R82-R88 VanDerWaalsContact NH2-NH1 3.19Å |
| 83 | L | 82.1 | Confident | 87.9 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 38% | 0.377 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -81.3 | -44.8 | -175.2 | -66.8 | 178.4 | 0 | 0 | 0 | 113.3 | A33 I79 T80 T114 | A33-L83 HydrophobicContact CB-CD1 4.24Å; I79-L83 HydrophobicContact CG2-CD1 3.73Å; I79-L83 WeakPolarHBondContact O-CB 3.43Å; I79-L83 WeakPolarHBondContact O-CG 3.34Å; I79-L83 PolarHBondContact O-N 3.23Å; T80-L83 PolarHBondContact O-N 3.31Å; L83-T114 VanDerWaalsContact O-CG2 3.29Å; L83-T114 WeakPolarHBondContact O-CG2 3.22Å |
| 84 | M | 80.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -89.1 | -30.1 | -171.6 | -61.4 | -159.6 | -72.3 | 0 | 0 | 113.7 | A33 S34 H37 T80 T114 E118 F122 | A33-M84 HydrophobicContact CB-CG 4.4Å; S34-M84 PolarHBondContact OG-SD 2.72Å; S34-M84 VanDerWaalsContact OG-SD 3.33Å; H37-M84 HydrophobicContact CB-CE 3.73Å; H37-M84 VanDerWaalsContact CG-CE 3.5Å; T80-M84 VanDerWaalsContact CB-CE 3.49Å; T80-M84 HydrophobicContact CG2-CE 3.98Å; T80-M84 VanDerWaalsContact O-CB 3.3Å; T80-M84 WeakPolarHBondContact O-CB 3.37Å; T80-M84 PolarHBondContact O-N 2.96Å; M84-T114 WeakPolarHBondContact O-CB 3.29Å; M84-T114 WeakPolarHBondContact O-CG2 3.24Å; M84-T114 PolarHBondContact O-OG1 2.71Å; M84-E118 HydrophobicContact CB-CB 4.21Å; M84-E118 HydrophobicContact CG-CB 4.35Å; M84-E118 HydrophobicContact SD-CB 4.46Å; M84-F122 HydrophobicContact CB-CB 4.17Å; M84-F122 HydrophobicContact CE-CB 3.76Å; M84-F122 HydrophobicContact CE-CD2 3.65Å; M84-F122 HydrophobicContact CE-CG 4.19Å |
| 85 | V | 83.2 | Confident | 87.6 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 11% | 0.109 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -125.8 | -8 | -179.1 | -66.5 | 0 | 0 | 0 | 0 | 114.3 | G81 L87 F122 | G81-V85 WeakPolarHBondContact O-CG2 3.3Å; V85-L87 HydrophobicContact CB-CD1 4.18Å; V85-L87 HydrophobicContact CB-CG 3.98Å; V85-L87 HydrophobicContact CG2-CB 3.89Å; V85-L87 HydrophobicContact CG2-CD1 3.88Å; V85-L87 HydrophobicContact CG2-CG 3.71Å; V85-L87 PolarHBondContact O-N 3.36Å; V85-F122 HydrophobicContact CB-CD1 4.23Å; V85-F122 HydrophobicContact CB-CE1 4.43Å; V85-F122 HydrophobicContact CG1-CB 3.97Å; V85-F122 HydrophobicContact CG1-CD1 3.39Å; V85-F122 HydrophobicContact CG1-CE1 4.04Å; V85-F122 HydrophobicContact CG1-CG 3.8Å; V85-F122 HydrophobicContact CG2-CD1 3.76Å; V85-F122 HydrophobicContact CG2-CE1 3.54Å; V85-F122 HydrophobicContact CG2-CE2 4.39Å; V85-F122 HydrophobicContact CG2-CG 4.26Å; V85-F122 HydrophobicContact CG2-CZ 3.87Å |
| 86 | G | 84.6 | Confident | 87.6 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | trans | 61.9 | 28.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G81 R82 R106 | G81-G86 PolarHBondContact O-N 2.88Å; R82-G86 VanDerWaalsContact O-CA 3.3Å; R82-G86 WeakPolarHBondContact O-CA 3.48Å; R82-G86 PolarHBondContact O-N 3.2Å; G86-R106 PolarHBondContact O-N 3.47Å | ||
| 87 | L | 87.9 | Confident | 87.4 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.1 | -179.7 | -57.8 | -177.9 | 0 | 0 | 0 | 110.1 | G81 V85 E104 S105 W123 Y166 C169 | G81-L87 CarbonylContact C-O 3.33Å; G81-L87 PolarHBondContact O-N 2.84Å; V85-L87 HydrophobicContact CB-CD1 4.18Å; V85-L87 HydrophobicContact CB-CG 3.98Å; V85-L87 HydrophobicContact CG2-CB 3.89Å; V85-L87 HydrophobicContact CG2-CD1 3.88Å; V85-L87 HydrophobicContact CG2-CG 3.71Å; V85-L87 PolarHBondContact O-N 3.36Å; L87-E104 WeakPolarHBondContact CA-O 3.34Å; L87-S105 VanDerWaalsContact CD2-CB 3.49Å; L87-W123 HydrophobicContact CD1-CH2 4.28Å; L87-W123 HydrophobicContact CD1-CZ2 3.72Å; L87-Y166 HydrophobicContact CB-CD1 3.68Å; L87-Y166 HydrophobicContact CB-CE1 3.88Å; L87-Y166 HydrophobicContact CD1-CD1 4.07Å; L87-C169 HydrophobicContact CB-CB 4.1Å; L87-C169 HydrophobicContact CD1-CB 4.02Å; L87-C169 HydrophobicContact CD2-CB 4.12Å; L87-C169 HydrophobicContact CG-CB 4.29Å |
| 88 | R | 89.8 | Confident | 87.4 | Confident | 80 Ų | 80 | 62 Ų | 62 | 30% | 0.302 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 133.5 | 178.6 | -176.1 | -173 | 145.6 | 142.2 | -1.2 | 109.2 | R82 W90 E104 C169 | R82-R88 VanDerWaalsContact NH2-NH1 3.19Å; R88-W90 HydrophobicContact CB-CZ3 4.3Å; R88-W90 HydrophobicContact CG-CE3 3.7Å; R88-W90 HydrophobicContact CG-CZ3 3.73Å; R88-E104 HydrophobicContact CB-CB 4.29Å; R88-E104 PolarHBondContact N-O 2.95Å; R88-E104 IonicContact NE-OE2 3.24Å; R88-E104 PolarHBondContact O-N 2.86Å; R88-C169 PolarHBondContact O-SG 3.41Å; R88-C169 VanDerWaalsContact O-SG 3.32Å |
| 89 | W | 91.6 | Very high | 87.3 | Confident | 25 Ų | 25 | 63 Ų | 63 | 10% | 0.095 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.3 | 170.8 | 61.3 | -76.4 | 0 | 0 | 0 | 109.3 | F73 K77 W101 V102 F103 Y166 | F73-W89 HydrophobicContact CZ-CH2 4.4Å; F73-W89 HydrophobicContact CZ-CZ2 4.5Å; K77-W89 HydrophobicContact CD-CD2 4.27Å; K77-W89 HydrophobicContact CD-CH2 4.37Å; K77-W89 HydrophobicContact CD-CZ2 3.57Å; K77-W89 VanDerWaalsContact CE-CE2 3.48Å; K77-W89 VanDerWaalsContact NZ-C 3.33Å; K77-W89 VanDerWaalsContact NZ-CG 3.29Å; K77-W89 VanDerWaalsContact NZ-CZ2 3.32Å; K77-W89 PolarHBondContact NZ-O 3.25Å; W89-W101 HydrophobicContact CE3-CE3 4.07Å; W89-W101 AromaticContact CE3-CZ3 3.67Å; W89-W101 HydrophobicContact CE3-CZ3 3.67Å; W89-W101 HydrophobicContact CZ3-CE3 4.32Å; W89-W101 HydrophobicContact CZ3-CH2 4.15Å; W89-W101 AromaticContact CZ3-CZ3 3.49Å; W89-W101 HydrophobicContact CZ3-CZ3 3.49Å; W89-W101 VanDerWaalsContact CZ3-CZ3 3.49Å; W89-V102 CarbonylContact C-O 3.58Å; W89-V102 VanDerWaalsContact CA-O 3.25Å; W89-V102 WeakPolarHBondContact CA-O 3.3Å; W89-F103 HydrophobicContact CB-CD1 3.62Å; W89-F103 HydrophobicContact CB-CE1 3.87Å; W89-Y166 AromaticContact CD1-CZ 3.95Å; W89-Y166 AromaticContact NE1-CE2 3.63Å; W89-Y166 AromaticContact NE1-CZ 3.76Å |
| 90 | W | 91.2 | Very high | 87.3 | Confident | 56 Ų | 56 | 67 Ų | 67 | 21% | 0.212 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 167.2 | 169.8 | 65.9 | 99.4 | 0 | 0 | 0 | 110 | R88 V102 E104 | R88-W90 HydrophobicContact CB-CZ3 4.3Å; R88-W90 HydrophobicContact CG-CE3 3.7Å; R88-W90 HydrophobicContact CG-CZ3 3.73Å; W90-V102 HydrophobicContact CD2-CB 4.02Å; W90-V102 HydrophobicContact CE3-CB 4.33Å; W90-V102 HydrophobicContact CH2-CB 3.86Å; W90-V102 HydrophobicContact CH2-CG1 3.32Å; W90-V102 HydrophobicContact CZ2-CB 3.56Å; W90-V102 HydrophobicContact CZ2-CG1 3.35Å; W90-V102 HydrophobicContact CZ2-CG2 4.11Å; W90-V102 HydrophobicContact CZ3-CB 4.25Å; W90-V102 HydrophobicContact CZ3-CG1 3.97Å; W90-V102 PolarHBondContact N-O 3.03Å; W90-V102 PolarHBondContact O-N 3.46Å; W90-E104 HydrophobicContact CH2-CG 3.55Å; W90-E104 VanDerWaalsContact CH2-OE1 3.25Å; W90-E104 WeakPolarHBondContact CH2-OE1 3.2Å; W90-E104 WeakPolarHBondContact CH2-OE2 3.33Å; W90-E104 HydrophobicContact CZ3-CB 4.2Å; W90-E104 VanDerWaalsContact CZ3-CD 3.47Å; W90-E104 HydrophobicContact CZ3-CG 3.66Å; W90-E104 WeakPolarHBondContact CZ3-OE2 3.04Å |
| 91 | N | 91.3 | Very high | 87.3 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 34% | 0.342 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.5 | 171 | -173.9 | 61.5 | 0 | 0 | 0 | 108.7 | S99 W101 | N91-S99 WeakPolarHBondContact OD1-CB 3.42Å; N91-W101 HydrophobicContact CB-CD2 4.22Å; N91-W101 HydrophobicContact CB-CE3 3.91Å; N91-W101 HydrophobicContact CB-CH2 3.98Å; N91-W101 HydrophobicContact CB-CZ2 4.27Å; N91-W101 HydrophobicContact CB-CZ3 3.76Å |
| 92 | Q | 88.4 | Confident | 87.3 | Confident | 96 Ų | 96 | 75 Ų | 75 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.1 | 172.2 | -174.6 | 168.3 | 11.4 | 0 | 0 | 107.7 | R100 V102 | Q92-R100 PolarHBondContact N-O 3.34Å; Q92-R100 PolarHBondContact O-N 3.46Å; Q92-V102 HydrophobicContact CB-CG2 4.22Å |
| 93 | V | 88.7 | Confident | 87.4 | Confident | 94 Ų | 94 | 72.9 Ų | 72.9 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.7 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 106.4 | Q98 | V93-Q98 WeakPolarHBondContact CA-O 3.39Å |
| 94 | D | 88.2 | Confident | 87.4 | Confident | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.193 | 38% | 0.376 | C | S | . | . | trans | -71.4 | 163.6 | 176.7 | -64.2 | -23.5 | 0 | 0 | 0 | 109.6 | D96 G97 Q98 R100 | D94-D96 PolarHBondContact O-N 3.47Å; D94-D96 VanDerWaalsContact O-N 3.11Å; D94-G97 WeakPolarHBondContact O-CA 3.26Å; D94-G97 PolarHBondContact O-N 3.38Å; D94-Q98 PolarHBondContact N-O 3.13Å; D94-R100 IonicContact OD1-NE 3.85Å; D94-R100 IonicContact OD2-CZ 2.99Å; D94-R100 VanDerWaalsContact OD2-CZ 3.24Å; D94-R100 IonicContact OD2-NE 3.39Å; D94-R100 PolarHBondContact OD2-NE 2.9Å; D94-R100 IonicContact OD2-NH2 2.79Å; D94-R100 PolarHBondContact OD2-NH2 2.97Å | ||
| 95 | D | 89.1 | Confident | 87.6 | Confident | 178 Ų | 178 | 76.1 Ų | 76.1 | 95% | 0.952 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.1 | -179.6 | -63.6 | -36.3 | 0 | 0 | 0 | 112.6 | G97 | D95-G97 PolarHBondContact O-N 3.42Š|
| 96 | D | 87.1 | Confident | 87.2 | Confident | 140 Ų | 140 | 82.3 Ų | 82.3 | 75% | 0.749 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 5.6 | 172.9 | -57.2 | -47.2 | 0 | 0 | 0 | 113.7 | D94 Q98 | D94-D96 PolarHBondContact O-N 3.47Å; D94-D96 VanDerWaalsContact O-N 3.11Å; D96-Q98 VanDerWaalsContact C-N 3.25Å; D96-Q98 HydrophobicContact CB-CG 4.31Å; D96-Q98 PolarHBondContact O-N 3.08Å |
| 97 | G | 87.1 | Confident | 86.2 | Confident | 52 Ų | 52 | 87 Ų | 87 | 54% | 0.536 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 74.8 | 7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | D94 D95 | D94-G97 WeakPolarHBondContact O-CA 3.26Å; D94-G97 PolarHBondContact O-N 3.38Å; D95-G97 PolarHBondContact O-N 3.42Å |
| 98 | Q | 88.4 | Confident | 84.8 | Confident | 130 Ų | 130 | 89.6 Ų | 89.6 | 61% | 0.607 | 46% | 0.458 | S | S | * | . | trans | -82.7 | 132.1 | -177.9 | -61.6 | -58.3 | -43.8 | 0 | 0 | 111.8 | V93 D94 D96 R100 | V93-Q98 WeakPolarHBondContact CA-O 3.39Å; D94-Q98 PolarHBondContact N-O 3.13Å; D96-Q98 VanDerWaalsContact C-N 3.25Å; D96-Q98 HydrophobicContact CB-CG 4.31Å; D96-Q98 PolarHBondContact O-N 3.08Å; Q98-R100 PolarHBondContact O-N 2.95Å | ||
| 99 | S | 87.9 | Confident | 82.7 | Confident | 77 Ų | 77 | 90.7 Ų | 90.7 | 54% | 0.538 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 112.6 | 179.4 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | N91 | N91-S99 WeakPolarHBondContact OD1-CB 3.42Å |
| 100 | R | 87.1 | Confident | 80.5 | Confident | 148 Ų | 148 | 92.2 Ų | 92.2 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.8 | 177.3 | -166.8 | 178.1 | -60.7 | -150 | -1.4 | 111.1 | Q92 D94 Q98 V102 | Q92-R100 PolarHBondContact N-O 3.34Å; Q92-R100 PolarHBondContact O-N 3.46Å; D94-R100 IonicContact OD1-NE 3.85Å; D94-R100 IonicContact OD2-CZ 2.99Å; D94-R100 VanDerWaalsContact OD2-CZ 3.24Å; D94-R100 IonicContact OD2-NE 3.39Å; D94-R100 PolarHBondContact OD2-NE 2.9Å; D94-R100 IonicContact OD2-NH2 2.79Å; D94-R100 PolarHBondContact OD2-NH2 2.97Å; Q98-R100 PolarHBondContact O-N 2.95Å; R100-V102 PolarHBondContact O-N 3.36Å |
| 101 | W | 87.3 | Confident | 78.4 | Confident | 137 Ų | 137 | 99.9 Ų | 99.9 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 114.9 | 174.7 | -68.6 | 94.2 | 0 | 0 | 0 | 111 | W89 N91 F103 | W89-W101 HydrophobicContact CE3-CE3 4.07Å; W89-W101 AromaticContact CE3-CZ3 3.67Å; W89-W101 HydrophobicContact CE3-CZ3 3.67Å; W89-W101 HydrophobicContact CZ3-CE3 4.32Å; W89-W101 HydrophobicContact CZ3-CH2 4.15Å; W89-W101 AromaticContact CZ3-CZ3 3.49Å; W89-W101 HydrophobicContact CZ3-CZ3 3.49Å; W89-W101 VanDerWaalsContact CZ3-CZ3 3.49Å; N91-W101 HydrophobicContact CB-CD2 4.22Å; N91-W101 HydrophobicContact CB-CE3 3.91Å; N91-W101 HydrophobicContact CB-CH2 3.98Å; N91-W101 HydrophobicContact CB-CZ2 4.27Å; N91-W101 HydrophobicContact CB-CZ3 3.76Å; W101-F103 HydrophobicContact CB-CD2 4.43Å; W101-F103 HydrophobicContact CB-CE2 3.52Å; W101-F103 HydrophobicContact CB-CZ 3.79Å; W101-F103 HydrophobicContact CG-CZ 4.49Å |
| 102 | V | 85.5 | Confident | 76.5 | Confident | 34 Ų | 34 | 102.4 Ų | 102.4 | 21% | 0.206 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.7 | 179.1 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | W89 W90 Q92 R100 E104 | W89-V102 CarbonylContact C-O 3.58Å; W89-V102 VanDerWaalsContact CA-O 3.25Å; W89-V102 WeakPolarHBondContact CA-O 3.3Å; W90-V102 HydrophobicContact CD2-CB 4.02Å; W90-V102 HydrophobicContact CE3-CB 4.33Å; W90-V102 HydrophobicContact CH2-CB 3.86Å; W90-V102 HydrophobicContact CH2-CG1 3.32Å; W90-V102 HydrophobicContact CZ2-CB 3.56Å; W90-V102 HydrophobicContact CZ2-CG1 3.35Å; W90-V102 HydrophobicContact CZ2-CG2 4.11Å; W90-V102 HydrophobicContact CZ3-CB 4.25Å; W90-V102 HydrophobicContact CZ3-CG1 3.97Å; W90-V102 PolarHBondContact N-O 3.03Å; W90-V102 PolarHBondContact O-N 3.46Å; Q92-V102 HydrophobicContact CB-CG2 4.22Å; R100-V102 PolarHBondContact O-N 3.36Å; V102-E104 HydrophobicContact CG1-CG 4.5Å |
| 103 | F | 87.8 | Confident | 74.9 | Confident | 65 Ų | 65 | 105 Ų | 105 | 29% | 0.285 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.6 | 109.2 | -178.8 | -59.2 | -84.9 | 0 | 0 | 0 | 110 | W89 W101 R168 | W89-F103 HydrophobicContact CB-CD1 3.62Å; W89-F103 HydrophobicContact CB-CE1 3.87Å; W101-F103 HydrophobicContact CB-CD2 4.43Å; W101-F103 HydrophobicContact CB-CE2 3.52Å; W101-F103 HydrophobicContact CB-CZ 3.79Å; W101-F103 HydrophobicContact CG-CZ 4.49Å; F103-R168 HydrophobicContact CD1-CB 3.94Å; F103-R168 HydrophobicContact CD1-CG 4.14Å; F103-R168 HydrophobicContact CD2-CG 4.08Å; F103-R168 HydrophobicContact CE1-CB 3.71Å; F103-R168 HydrophobicContact CE1-CG 3.95Å; F103-R168 HydrophobicContact CE2-CG 3.85Å; F103-R168 HydrophobicContact CG-CB 4.47Å; F103-R168 HydrophobicContact CG-CG 4.22Å; F103-R168 HydrophobicContact CZ-CB 4.02Å; F103-R168 HydrophobicContact CZ-CG 3.79Å |
| 104 | E | 83.3 | Confident | 73.6 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 145.8 | 178.7 | -72.6 | 179.5 | 161.8 | 0 | 0 | 111.9 | L87 R88 W90 V102 | L87-E104 WeakPolarHBondContact CA-O 3.34Å; R88-E104 HydrophobicContact CB-CB 4.29Å; R88-E104 PolarHBondContact N-O 2.95Å; R88-E104 IonicContact NE-OE2 3.24Å; R88-E104 PolarHBondContact O-N 2.86Å; W90-E104 HydrophobicContact CH2-CG 3.55Å; W90-E104 VanDerWaalsContact CH2-OE1 3.25Å; W90-E104 WeakPolarHBondContact CH2-OE1 3.2Å; W90-E104 WeakPolarHBondContact CH2-OE2 3.33Å; W90-E104 HydrophobicContact CZ3-CB 4.2Å; W90-E104 VanDerWaalsContact CZ3-CD 3.47Å; W90-E104 HydrophobicContact CZ3-CG 3.66Å; W90-E104 WeakPolarHBondContact CZ3-OE2 3.04Å; V102-E104 HydrophobicContact CG1-CG 4.5Å |
| 105 | S | 83.3 | Confident | 72.8 | Confident | 43 Ų | 43 | 101.4 Ų | 101.4 | 30% | 0.301 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.2 | 168.1 | 64 | 0 | 0 | 0 | 0 | 109.3 | L87 K107 A173 | L87-S105 VanDerWaalsContact CD2-CB 3.49Å; S105-K107 PolarHBondContact O-N 3.49Å; S105-A173 WeakPolarHBondContact OG-CB 3.19Å |
| 106 | R | 75.6 | Confident | 72.1 | Confident | 148 Ų | 148 | 98 Ų | 98 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | trans | -64.2 | 120 | 176 | -169.2 | 175 | 169.7 | 172.8 | 0.4 | 110 | G86 | G86-R106 PolarHBondContact O-N 3.47Š| ||
| 107 | K | 63.3 | Low | 71.4 | Confident | 114 Ų | 114 | 92.7 Ų | 92.7 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | trans | -74.2 | 126.3 | 174.8 | -91 | 179.1 | 173.9 | 179.4 | 0 | 110.1 | S105 A109 M180 | S105-K107 PolarHBondContact O-N 3.49Å; K107-A109 PolarHBondContact O-N 3.45Å; K107-A109 VanDerWaalsContact O-N 3.14Å; K107-M180 PolarHBondContact NZ-SD 2.81Å | ||
| 108 | G | 57.9 | Low | 70.9 | Confident | 68 Ų | 68 | 90.2 Ų | 90.2 | 70% | 0.701 | 47% | 0.474 | S | S | * | . | trans | -78 | 89.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 109 | A | 46.5 | Very low | 70.5 | Confident | 103 Ų | 103 | 85.6 Ų | 85.6 | 85% | 0.851 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -134.5 | 5.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K107 | K107-A109 PolarHBondContact O-N 3.45Å; K107-A109 VanDerWaalsContact O-N 3.14Å |
| 110 | G | 46.5 | Very low | 70.3 | Confident | 56 Ų | 56 | 91 Ų | 91 | 58% | 0.577 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -170.6 | 117.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q112 | G110-Q112 PolarHBondContact O-N 3.24Å; G110-Q112 VanDerWaalsContact O-N 3.09Å |
| 111 | K | 45.1 | Very low | 70.2 | Confident | 218 Ų | 218 | 86.2 Ų | 86.2 | 95% | 0.948 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 66.7 | -8.3 | 158.8 | -97 | 175.7 | 175.9 | 176 | 0 | 121.9 | ||
| 112 | Q | 51.5 | Low | 70.2 | Confident | 117 Ų | 117 | 79.7 Ų | 79.7 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | trans | -149.2 | 68.3 | 178.2 | -115.8 | 158.6 | -11.1 | 0 | 0 | 112.6 | G110 T114 | G110-Q112 PolarHBondContact O-N 3.24Å; G110-Q112 VanDerWaalsContact O-N 3.09Å; Q112-T114 PolarHBondContact O-N 3.07Å | ||
| 113 | Q | 56.7 | Low | 70.3 | Confident | 149 Ų | 149 | 79.5 Ų | 79.5 | 70% | 0.696 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 125.2 | 160.7 | -87.2 | 174.1 | -29.3 | 0 | 0 | 108.7 | K29 | K29-Q113 PolarHBondContact NZ-O 2.89Š|
| 114 | T | 61.1 | Low | 70.4 | Confident | 48 Ų | 48 | 81.9 Ų | 81.9 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 147 | 165.9 | 52.2 | 0 | 0 | 0 | 0 | 109 | L83 M84 Q112 D116 | L83-T114 VanDerWaalsContact O-CG2 3.29Å; L83-T114 WeakPolarHBondContact O-CG2 3.22Å; M84-T114 WeakPolarHBondContact O-CB 3.29Å; M84-T114 WeakPolarHBondContact O-CG2 3.24Å; M84-T114 PolarHBondContact O-OG1 2.71Å; Q112-T114 PolarHBondContact O-N 3.07Å; T114-D116 PolarHBondContact O-N 3.39Å |
| 115 | S | 71.3 | Confident | 70.5 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 6% | 0.056 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 135.2 | 179.9 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | N27 S117 E118 S119 | N27-S115 VanDerWaalsContact O-CB 3.28Å; N27-S115 WeakPolarHBondContact O-CB 3.46Å; N27-S115 PolarHBondContact O-OG 3.35Å; S115-S117 PolarHBondContact O-N 3.14Å; S115-E118 VanDerWaalsContact CB-OE2 3.25Å; S115-E118 WeakPolarHBondContact CB-OE2 3.28Å; S115-E118 PolarHBondContact N-OE2 3.16Å; S115-E118 WeakPolarHBondContact O-CB 3.49Å; S115-E118 PolarHBondContact O-N 3.28Å; S115-S119 PolarHBondContact O-N 3.05Å; S115-S119 VanDerWaalsContact O-N 3.13Å |
| 116 | D | 73 | Confident | 70.8 | Confident | 107 Ų | 107 | 75.7 Ų | 75.7 | 57% | 0.572 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -53.9 | -32.7 | 177.2 | -76 | -27.8 | 0 | 0 | 0 | 112.1 | T114 R120 | T114-D116 PolarHBondContact O-N 3.39Å; D116-R120 VanDerWaalsContact O-CG 3.26Å; D116-R120 WeakPolarHBondContact O-CG 3.28Å; D116-R120 PolarHBondContact O-N 3.36Å; D116-R120 VanDerWaalsContact O-N 3.08Å |
| 117 | S | 74.3 | Confident | 71.4 | Confident | 28 Ų | 28 | 72.8 Ų | 72.8 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 177.4 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | S115 R120 I121 | S115-S117 PolarHBondContact O-N 3.14Å; S117-R120 PolarHBondContact O-N 3.45Å; S117-I121 WeakPolarHBondContact O-CD1 3.33Å; S117-I121 VanDerWaalsContact O-CG1 3.25Å; S117-I121 WeakPolarHBondContact O-CG1 3.44Å; S117-I121 PolarHBondContact O-N 3.39Å |
| 118 | E | 75.2 | Confident | 72.6 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.2 | -41 | 179.4 | -66.4 | 168.6 | 153.3 | 0 | 0 | 111.7 | I28 K29 H30 M84 S115 R120 I121 F122 | I28-E118 HydrophobicContact CG2-CG 3.95Å; I28-E118 WeakPolarHBondContact CG2-OE1 3.27Å; K29-E118 WeakPolarHBondContact CA-OE1 3.38Å; K29-E118 PolarHBondContact N-OE1 3.33Å; H30-E118 WeakPolarHBondContact CA-OE1 3.29Å; H30-E118 PolarHBondContact N-OE1 2.82Å; M84-E118 HydrophobicContact CB-CB 4.21Å; M84-E118 HydrophobicContact CG-CB 4.35Å; M84-E118 HydrophobicContact SD-CB 4.46Å; S115-E118 VanDerWaalsContact CB-OE2 3.25Å; S115-E118 WeakPolarHBondContact CB-OE2 3.28Å; S115-E118 PolarHBondContact N-OE2 3.16Å; S115-E118 WeakPolarHBondContact O-CB 3.49Å; S115-E118 PolarHBondContact O-N 3.28Å; E118-R120 VanDerWaalsContact C-N 3.31Å; E118-R120 PolarHBondContact O-N 3.33Å; E118-I121 PolarHBondContact O-N 2.92Å; E118-F122 WeakPolarHBondContact O-CB 3.45Å; E118-F122 PolarHBondContact O-N 3.29Å |
| 119 | S | 80.8 | Confident | 74 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | S115 F122 W123 | S115-S119 PolarHBondContact O-N 3.05Å; S115-S119 VanDerWaalsContact O-N 3.13Å; S119-F122 PolarHBondContact O-N 2.93Å; S119-W123 PolarHBondContact O-N 2.96Å |
| 120 | R | 83.3 | Confident | 76 | Confident | 189 Ų | 189 | 63.4 Ų | 63.4 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 176.8 | -71.5 | 174.3 | 81.2 | 178.6 | 6.9 | 112.5 | D116 S117 E118 F122 W123 L124 | D116-R120 VanDerWaalsContact O-CG 3.26Å; D116-R120 WeakPolarHBondContact O-CG 3.28Å; D116-R120 PolarHBondContact O-N 3.36Å; D116-R120 VanDerWaalsContact O-N 3.08Å; S117-R120 PolarHBondContact O-N 3.45Å; E118-R120 VanDerWaalsContact C-N 3.31Å; E118-R120 PolarHBondContact O-N 3.33Å; R120-F122 VanDerWaalsContact C-N 3.34Å; R120-F122 PolarHBondContact O-N 3.11Å; R120-W123 PolarHBondContact O-N 3.23Å; R120-L124 VanDerWaalsContact O-CB 3.22Å; R120-L124 WeakPolarHBondContact O-CB 3.33Å; R120-L124 PolarHBondContact O-N 3.23Å |
| 121 | I | 84.2 | Confident | 78.1 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 177.7 | -67.6 | 160.4 | 0 | 0 | 0 | 110.6 | L38 S117 E118 L124 G125 | L38-I121 HydrophobicContact CD1-CG2 4.38Å; S117-I121 WeakPolarHBondContact O-CD1 3.33Å; S117-I121 VanDerWaalsContact O-CG1 3.25Å; S117-I121 WeakPolarHBondContact O-CG1 3.44Å; S117-I121 PolarHBondContact O-N 3.39Å; E118-I121 PolarHBondContact O-N 2.92Å; I121-L124 PolarHBondContact O-N 3.31Å; I121-G125 PolarHBondContact O-N 3.22Å |
| 122 | F | 87.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.8 | -52.4 | 176.7 | 175.6 | -94.4 | 0 | 0 | 0 | 111.7 | H37 V76 M84 V85 E118 S119 R120 L124 G125 L126 Y166 | H37-F122 AromaticContact CE1-CD2 3.52Å; H37-F122 AromaticContact CE1-CE2 3.85Å; H37-F122 AromaticContact NE2-CD2 3.75Å; V76-F122 HydrophobicContact CG1-CE2 4.32Å; M84-F122 HydrophobicContact CB-CB 4.17Å; M84-F122 HydrophobicContact CE-CB 3.76Å; M84-F122 HydrophobicContact CE-CD2 3.65Å; M84-F122 HydrophobicContact CE-CG 4.19Å; V85-F122 HydrophobicContact CB-CD1 4.23Å; V85-F122 HydrophobicContact CB-CE1 4.43Å; V85-F122 HydrophobicContact CG1-CB 3.97Å; V85-F122 HydrophobicContact CG1-CD1 3.39Å; V85-F122 HydrophobicContact CG1-CE1 4.04Å; V85-F122 HydrophobicContact CG1-CG 3.8Å; V85-F122 HydrophobicContact CG2-CD1 3.76Å; V85-F122 HydrophobicContact CG2-CE1 3.54Å; V85-F122 HydrophobicContact CG2-CE2 4.39Å; V85-F122 HydrophobicContact CG2-CG 4.26Å; V85-F122 HydrophobicContact CG2-CZ 3.87Å; E118-F122 WeakPolarHBondContact O-CB 3.45Å; E118-F122 PolarHBondContact O-N 3.29Å; S119-F122 PolarHBondContact O-N 2.93Å; R120-F122 VanDerWaalsContact C-N 3.34Å; R120-F122 PolarHBondContact O-N 3.11Å; F122-L124 VanDerWaalsContact C-N 3.35Å; F122-L124 PolarHBondContact O-N 3.05Å; F122-G125 PolarHBondContact O-N 3.38Å; F122-L126 HydrophobicContact CE1-CD2 3.83Å; F122-L126 HydrophobicContact CZ-CD2 4.16Å; F122-L126 WeakPolarHBondContact O-CB 3.49Å; F122-L126 PolarHBondContact O-N 2.85Å; F122-Y166 HydrophobicContact CE1-CD1 4.29Å; F122-Y166 HydrophobicContact CE1-CD2 4.36Å; F122-Y166 HydrophobicContact CE1-CG 4.11Å; F122-Y166 AromaticContact CZ-CD1 3.98Å; F122-Y166 HydrophobicContact CZ-CD1 3.98Å; F122-Y166 AromaticContact CZ-CD2 3.73Å; F122-Y166 HydrophobicContact CZ-CD2 3.73Å; F122-Y166 HydrophobicContact CZ-CE1 4.05Å; F122-Y166 AromaticContact CZ-CE2 3.86Å; F122-Y166 HydrophobicContact CZ-CE2 3.86Å; F122-Y166 AromaticContact CZ-CG 3.85Å; F122-Y166 HydrophobicContact CZ-CG 3.85Å |
| 123 | W | 89 | Confident | 82.1 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -39.9 | -179.5 | -76.1 | 110.3 | 0 | 0 | 0 | 112.3 | L87 S119 R120 L126 I127 Y166 V167 K170 | L87-W123 HydrophobicContact CD1-CH2 4.28Å; L87-W123 HydrophobicContact CD1-CZ2 3.72Å; S119-W123 PolarHBondContact O-N 2.96Å; R120-W123 PolarHBondContact O-N 3.23Å; W123-L126 HydrophobicContact CE3-CD2 4.04Å; W123-L126 HydrophobicContact CZ3-CD2 3.93Å; W123-L126 PolarHBondContact O-N 3.09Å; W123-I127 WeakPolarHBondContact O-CG1 3.44Å; W123-I127 PolarHBondContact O-N 3.14Å; W123-I127 VanDerWaalsContact O-N 3.14Å; W123-Y166 WeakPolarHBondContact CH2-O 3.44Å; W123-V167 HydrophobicContact CZ3-CG2 4.07Å; W123-K170 HydrophobicContact CH2-CB 3.85Å; W123-K170 HydrophobicContact CH2-CD 3.78Å; W123-K170 HydrophobicContact CH2-CG 4.36Å; W123-K170 HydrophobicContact CZ2-CB 3.92Å; W123-K170 HydrophobicContact CZ2-CD 3.54Å; W123-K170 HydrophobicContact CZ2-CG 4.08Å; W123-K170 HydrophobicContact CZ3-CD 4.48Å |
| 124 | L | 88.1 | Confident | 83.8 | Confident | 114 Ų | 114 | 45.8 Ų | 45.8 | 60% | 0.597 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.4 | -51.6 | 176 | -175.8 | 69.8 | 0 | 0 | 0 | 110.3 | R120 I121 F122 L126 I127 V128 | R120-L124 VanDerWaalsContact O-CB 3.22Å; R120-L124 WeakPolarHBondContact O-CB 3.33Å; R120-L124 PolarHBondContact O-N 3.23Å; I121-L124 PolarHBondContact O-N 3.31Å; F122-L124 VanDerWaalsContact C-N 3.35Å; F122-L124 PolarHBondContact O-N 3.05Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 3.44Å; L124-I127 PolarHBondContact O-N 2.91Å; L124-V128 HydrophobicContact CD1-CG2 3.82Å; L124-V128 HydrophobicContact CG-CG2 4.03Å; L124-V128 VanDerWaalsContact O-CB 3.28Å; L124-V128 WeakPolarHBondContact O-CB 3.46Å; L124-V128 WeakPolarHBondContact O-CG2 3.29Å; L124-V128 PolarHBondContact O-N 3.07Å |
| 125 | G | 86.1 | Confident | 85.3 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R41 I121 F122 I127 V128 C129 | R41-G125 PolarHBondContact NH1-O 3.07Å; R41-G125 VanDerWaalsContact NH1-O 3.07Å; I121-G125 PolarHBondContact O-N 3.22Å; F122-G125 PolarHBondContact O-N 3.38Å; G125-I127 PolarHBondContact O-N 3.44Å; G125-V128 PolarHBondContact O-N 3.33Å; G125-C129 VanDerWaalsContact O-CB 3.29Å; G125-C129 WeakPolarHBondContact O-CB 3.21Å; G125-C129 PolarHBondContact O-N 3.49Å |
| 126 | L | 89.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -29.1 | -179.2 | -171.1 | 70.1 | 0 | 0 | 0 | 112.8 | V76 F122 W123 L124 P130 N162 L163 Y166 | V76-L126 HydrophobicContact CG1-CD1 4.03Å; F122-L126 HydrophobicContact CE1-CD2 3.83Å; F122-L126 HydrophobicContact CZ-CD2 4.16Å; F122-L126 WeakPolarHBondContact O-CB 3.49Å; F122-L126 PolarHBondContact O-N 2.85Å; W123-L126 HydrophobicContact CE3-CD2 4.04Å; W123-L126 HydrophobicContact CZ3-CD2 3.93Å; W123-L126 PolarHBondContact O-N 3.09Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 3.44Å; L126-P130 WeakPolarHBondContact O-CD 3.12Å; L126-P130 WeakPolarHBondContact O-CG 3.3Å; L126-N162 HydrophobicContact CD1-CB 4Å; L126-L163 HydrophobicContact CD2-CD1 3.99Å; L126-L163 HydrophobicContact CG-CB 4.33Å; L126-L163 HydrophobicContact CG-CD1 3.9Å; L126-Y166 HydrophobicContact CD1-CD2 4.18Å; L126-Y166 HydrophobicContact CD2-CD2 3.98Å; L126-Y166 HydrophobicContact CD2-CG 4.18Å |
| 127 | I | 89.4 | Confident | 87 | Confident | 88 Ų | 88 | 45.4 Ų | 45.4 | 45% | 0.451 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -92.3 | -44.6 | 177.9 | -64.6 | 167.5 | 0 | 0 | 0 | 111.3 | W123 L124 G125 C129 P130 V131 L163 | W123-I127 WeakPolarHBondContact O-CG1 3.44Å; W123-I127 PolarHBondContact O-N 3.14Å; W123-I127 VanDerWaalsContact O-N 3.14Å; L124-I127 PolarHBondContact O-N 2.91Å; G125-I127 PolarHBondContact O-N 3.44Å; I127-C129 VanDerWaalsContact C-N 3.33Å; I127-C129 PolarHBondContact O-N 3.41Å; I127-P130 VanDerWaalsContact O-CD 3.24Å; I127-P130 WeakPolarHBondContact O-CD 3.38Å; I127-P130 VanDerWaalsContact O-CG 3.28Å; I127-P130 WeakPolarHBondContact O-CG 3.43Å; I127-V131 WeakPolarHBondContact O-CG2 3.28Å; I127-V131 PolarHBondContact O-N 3.43Å; I127-L163 HydrophobicContact CG1-CD1 3.96Å |
| 128 | V | 88 | Confident | 87.9 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | -176.8 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | L124 G125 V131 I132 | L124-V128 HydrophobicContact CD1-CG2 3.82Å; L124-V128 HydrophobicContact CG-CG2 4.03Å; L124-V128 VanDerWaalsContact O-CB 3.28Å; L124-V128 WeakPolarHBondContact O-CB 3.46Å; L124-V128 WeakPolarHBondContact O-CG2 3.29Å; L124-V128 PolarHBondContact O-N 3.07Å; G125-V128 PolarHBondContact O-N 3.33Å; V128-V131 WeakPolarHBondContact O-CB 3.2Å; V128-V131 PolarHBondContact O-N 3.01Å; V128-I132 HydrophobicContact CG1-CD1 3.76Å; V128-I132 HydrophobicContact CG1-CG1 4.26Å; V128-I132 WeakPolarHBondContact O-CG1 3.33Å; V128-I132 PolarHBondContact O-N 2.86Å |
| 129 | C | 86.9 | Confident | 88.5 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -52.4 | -178.1 | -161.7 | 0 | 0 | 0 | 0 | 113.8 | G125 I127 V131 I132 W133 Q159 | G125-C129 VanDerWaalsContact O-CB 3.29Å; G125-C129 WeakPolarHBondContact O-CB 3.21Å; G125-C129 PolarHBondContact O-N 3.49Å; I127-C129 VanDerWaalsContact C-N 3.33Å; I127-C129 PolarHBondContact O-N 3.41Å; C129-V131 PolarHBondContact O-N 2.94Å; C129-I132 PolarHBondContact O-N 2.97Å; C129-I132 VanDerWaalsContact O-N 3.16Å; C129-W133 VanDerWaalsContact O-CD1 3.28Å; C129-W133 PolarHBondContact O-N 2.94Å; C129-Q159 PolarHBondContact SG-NE2 3.02Å |
| 130 | P | 89.1 | Confident | 88.8 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -28.5 | 175.3 | 21.1 | -30.4 | 0 | 0 | 0 | 113 | L126 I127 W133 G134 Q159 L163 | L126-P130 WeakPolarHBondContact O-CD 3.12Å; L126-P130 WeakPolarHBondContact O-CG 3.3Å; I127-P130 VanDerWaalsContact O-CD 3.24Å; I127-P130 WeakPolarHBondContact O-CD 3.38Å; I127-P130 VanDerWaalsContact O-CG 3.28Å; I127-P130 WeakPolarHBondContact O-CG 3.43Å; P130-W133 PolarHBondContact O-N 2.91Å; P130-G134 PolarHBondContact O-N 3.27Å; P130-Q159 HydrophobicContact CB-CB 4Å; P130-Q159 HydrophobicContact CG-CB 4.42Å; P130-L163 HydrophobicContact CG-CD2 4.16Å |
| 131 | V | 91.3 | Very high | 89.1 | Confident | 85 Ų | 85 | 47.6 Ų | 47.6 | 52% | 0.515 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 172.3 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | I127 V128 C129 W133 G134 I135 | I127-V131 WeakPolarHBondContact O-CG2 3.28Å; I127-V131 PolarHBondContact O-N 3.43Å; V128-V131 WeakPolarHBondContact O-CB 3.2Å; V128-V131 PolarHBondContact O-N 3.01Å; C129-V131 PolarHBondContact O-N 2.94Å; V131-W133 VanDerWaalsContact C-N 3.34Å; V131-W133 PolarHBondContact O-N 2.84Å; V131-G134 WeakPolarHBondContact O-CA 3.08Å; V131-G134 PolarHBondContact O-N 3.24Å; V131-G134 VanDerWaalsContact O-N 3.12Å; V131-I135 HydrophobicContact CG1-CD1 4.39Å; V131-I135 WeakPolarHBondContact O-CG1 3.1Å; V131-I135 PolarHBondContact O-N 2.88Å |
| 132 | I | 89.6 | Confident | 89.3 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 28% | 0.282 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 175.6 | -68.6 | 169.5 | 0 | 0 | 0 | 110.6 | T45 V128 C129 G134 I135 F136 | T45-I132 HydrophobicContact CG2-CG2 4.24Å; V128-I132 HydrophobicContact CG1-CD1 3.76Å; V128-I132 HydrophobicContact CG1-CG1 4.26Å; V128-I132 WeakPolarHBondContact O-CG1 3.33Å; V128-I132 PolarHBondContact O-N 2.86Å; C129-I132 PolarHBondContact O-N 2.97Å; C129-I132 VanDerWaalsContact O-N 3.16Å; I132-G134 VanDerWaalsContact C-N 3.27Å; I132-G134 PolarHBondContact O-N 3.41Å; I132-I135 WeakPolarHBondContact O-CB 3.04Å; I132-I135 PolarHBondContact O-N 2.88Å; I132-I135 VanDerWaalsContact O-N 3.16Å; I132-F136 HydrophobicContact CG2-CD2 4.32Å; I132-F136 HydrophobicContact CG2-CE2 3.87Å; I132-F136 HydrophobicContact CG2-CZ 4Å; I132-F136 PolarHBondContact O-N 3.38Å |
| 133 | W | 91.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 176.3 | -79.4 | 100.7 | 0 | 0 | 0 | 112.8 | Y48 I65 L69 C129 P130 V131 F136 A137 V151 V152 L156 | Y48-W133 HydrophobicContact CD2-CH2 4.44Å; Y48-W133 HydrophobicContact CD2-CZ3 4.38Å; I65-W133 HydrophobicContact CG2-CH2 3.81Å; I65-W133 HydrophobicContact CG2-CZ2 4.45Å; L69-W133 HydrophobicContact CD1-CH2 3.91Å; L69-W133 HydrophobicContact CD1-CZ2 3.97Å; L69-W133 HydrophobicContact CD2-CH2 4.36Å; L69-W133 HydrophobicContact CD2-CZ2 3.58Å; L69-W133 HydrophobicContact CG-CH2 4.42Å; L69-W133 HydrophobicContact CG-CZ2 4.04Å; C129-W133 VanDerWaalsContact O-CD1 3.28Å; C129-W133 PolarHBondContact O-N 2.94Å; P130-W133 PolarHBondContact O-N 2.91Å; V131-W133 VanDerWaalsContact C-N 3.34Å; V131-W133 PolarHBondContact O-N 2.84Å; W133-F136 HydrophobicContact CD2-CD2 4.44Å; W133-F136 HydrophobicContact CE3-CD2 4.19Å; W133-F136 HydrophobicContact CZ3-CD2 4.44Å; W133-F136 PolarHBondContact O-N 3.41Å; W133-A137 WeakPolarHBondContact O-CB 3.18Å; W133-A137 PolarHBondContact O-N 2.93Å; W133-V151 HydrophobicContact CH2-CG1 4.24Å; W133-V151 HydrophobicContact CZ3-CG1 4.2Å; W133-V152 HydrophobicContact CE3-CB 4.47Å; W133-V152 HydrophobicContact CE3-CG1 4.22Å; W133-V152 HydrophobicContact CE3-CG2 4.49Å; W133-V152 HydrophobicContact CZ3-CG2 4.25Å; W133-L156 HydrophobicContact CB-CD2 3.98Å; W133-L156 HydrophobicContact CB-CG 4.29Å |
| 134 | G | 92.1 | Very high | 88.9 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P130 V131 I132 A137 F138 | P130-G134 PolarHBondContact O-N 3.27Å; V131-G134 WeakPolarHBondContact O-CA 3.08Å; V131-G134 PolarHBondContact O-N 3.24Å; V131-G134 VanDerWaalsContact O-N 3.12Å; I132-G134 VanDerWaalsContact C-N 3.27Å; I132-G134 PolarHBondContact O-N 3.41Å; G134-A137 WeakPolarHBondContact O-CB 3.36Å; G134-A137 PolarHBondContact O-N 2.86Å; G134-F138 PolarHBondContact O-N 3.25Å |
| 135 | I | 91.6 | Very high | 88.6 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 55% | 0.549 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 173.3 | -64.8 | 166.6 | 0 | 0 | 0 | 110.2 | V131 I132 A137 F138 S139 | V131-I135 HydrophobicContact CG1-CD1 4.39Å; V131-I135 WeakPolarHBondContact O-CG1 3.1Å; V131-I135 PolarHBondContact O-N 2.88Å; I132-I135 WeakPolarHBondContact O-CB 3.04Å; I132-I135 PolarHBondContact O-N 2.88Å; I132-I135 VanDerWaalsContact O-N 3.16Å; I135-A137 VanDerWaalsContact C-N 3.3Å; I135-A137 PolarHBondContact O-N 3.28Å; I135-F138 PolarHBondContact O-N 3.35Å; I135-S139 WeakPolarHBondContact O-CB 3.24Å; I135-S139 PolarHBondContact O-N 2.92Å |
| 136 | F | 90.3 | Very high | 88.4 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -40.2 | 174 | -67.5 | -19.8 | 0 | 0 | 0 | 111.9 | T45 Y48 L49 I132 W133 F138 S139 T140 V152 | T45-F136 HydrophobicContact CG2-CE2 3.94Å; T45-F136 HydrophobicContact CG2-CZ 3.77Å; Y48-F136 HydrophobicContact CD1-CD1 4.21Å; Y48-F136 AromaticContact CD1-CD2 3.56Å; Y48-F136 HydrophobicContact CD1-CD2 3.56Å; Y48-F136 HydrophobicContact CD1-CE1 4.13Å; Y48-F136 AromaticContact CD1-CE2 3.45Å; Y48-F136 HydrophobicContact CD1-CE2 3.45Å; Y48-F136 VanDerWaalsContact CD1-CE2 3.45Å; Y48-F136 AromaticContact CD1-CG 3.95Å; Y48-F136 HydrophobicContact CD1-CG 3.95Å; Y48-F136 AromaticContact CD1-CZ 3.75Å; Y48-F136 HydrophobicContact CD1-CZ 3.75Å; Y48-F136 HydrophobicContact CE1-CB 3.99Å; Y48-F136 AromaticContact CE1-CD1 3.79Å; Y48-F136 HydrophobicContact CE1-CD1 3.79Å; Y48-F136 AromaticContact CE1-CD2 3.64Å; Y48-F136 HydrophobicContact CE1-CD2 3.64Å; Y48-F136 HydrophobicContact CE1-CE1 4.1Å; Y48-F136 AromaticContact CE1-CE2 3.96Å; Y48-F136 HydrophobicContact CE1-CE2 3.96Å; Y48-F136 AromaticContact CE1-CG 3.54Å; Y48-F136 HydrophobicContact CE1-CG 3.54Å; Y48-F136 HydrophobicContact CE1-CZ 4.18Å; Y48-F136 HydrophobicContact CG-CD2 4.17Å; Y48-F136 HydrophobicContact CG-CE2 4.09Å; L49-F136 HydrophobicContact CD1-CZ 4.35Å; L49-F136 HydrophobicContact CD2-CE1 3.86Å; L49-F136 HydrophobicContact CD2-CZ 3.88Å; L49-F136 HydrophobicContact CG-CE1 4.49Å; L49-F136 HydrophobicContact CG-CZ 4.01Å; I132-F136 HydrophobicContact CG2-CD2 4.32Å; I132-F136 HydrophobicContact CG2-CE2 3.87Å; I132-F136 HydrophobicContact CG2-CZ 4Å; I132-F136 PolarHBondContact O-N 3.38Å; W133-F136 HydrophobicContact CD2-CD2 4.44Å; W133-F136 HydrophobicContact CE3-CD2 4.19Å; W133-F136 HydrophobicContact CZ3-CD2 4.44Å; W133-F136 PolarHBondContact O-N 3.41Å; F136-F138 PolarHBondContact O-N 2.81Å; F136-S139 PolarHBondContact O-N 2.87Å; F136-T140 PolarHBondContact O-N 3.25Å; F136-T140 PolarHBondContact O-OG1 2.89Å; F136-V152 HydrophobicContact CB-CG1 4.33Å; F136-V152 HydrophobicContact CB-CG2 4.41Å |
| 137 | A | 90.4 | Very high | 88.2 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 19% | 0.19 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | W133 G134 I135 T140 L141 V152 L156 | W133-A137 WeakPolarHBondContact O-CB 3.18Å; W133-A137 PolarHBondContact O-N 2.93Å; G134-A137 WeakPolarHBondContact O-CB 3.36Å; G134-A137 PolarHBondContact O-N 2.86Å; I135-A137 VanDerWaalsContact C-N 3.3Å; I135-A137 PolarHBondContact O-N 3.28Å; A137-T140 WeakPolarHBondContact CA-OG1 3.37Å; A137-T140 PolarHBondContact O-N 2.79Å; A137-T140 PolarHBondContact O-OG1 3.37Å; A137-L141 VanDerWaalsContact O-CB 3.28Å; A137-L141 WeakPolarHBondContact O-CB 3.31Å; A137-L141 PolarHBondContact O-N 2.87Å; A137-V152 HydrophobicContact CB-CG1 3.39Å; A137-L156 HydrophobicContact CB-CD1 3.7Å |
| 138 | F | 91.9 | Very high | 88.1 | Confident | 129 Ų | 129 | 69 Ų | 69 | 57% | 0.566 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58.7 | -50.3 | 174.8 | -167.5 | -90.3 | 0 | 0 | 0 | 110.3 | G134 I135 F136 T140 L141 F142 | G134-F138 PolarHBondContact O-N 3.25Å; I135-F138 PolarHBondContact O-N 3.35Å; F136-F138 PolarHBondContact O-N 2.81Å; F138-T140 VanDerWaalsContact C-N 3.35Å; F138-T140 PolarHBondContact O-N 3.32Å; F138-L141 WeakPolarHBondContact O-CB 3.31Å; F138-L141 PolarHBondContact O-N 3.24Å; F138-L141 VanDerWaalsContact O-N 3.1Å; F138-F142 AromaticContact CD1-CD2 3.59Å; F138-F142 HydrophobicContact CD1-CD2 3.59Å; F138-F142 AromaticContact CD1-CE2 3.83Å; F138-F142 HydrophobicContact CD1-CE2 3.83Å; F138-F142 AromaticContact CD2-CD2 4Å; F138-F142 HydrophobicContact CD2-CD2 4Å; F138-F142 AromaticContact CD2-CE2 3.5Å; F138-F142 HydrophobicContact CD2-CE2 3.5Å; F138-F142 AromaticContact CE1-CD2 3.43Å; F138-F142 HydrophobicContact CE1-CD2 3.43Å; F138-F142 VanDerWaalsContact CE1-CD2 3.43Å; F138-F142 AromaticContact CE1-CE2 3.42Å; F138-F142 HydrophobicContact CE1-CE2 3.42Å; F138-F142 VanDerWaalsContact CE1-CE2 3.42Å; F138-F142 HydrophobicContact CE1-CG 4.19Å; F138-F142 HydrophobicContact CE1-CZ 4.08Å; F138-F142 AromaticContact CE2-CD2 3.89Å; F138-F142 HydrophobicContact CE2-CD2 3.89Å; F138-F142 AromaticContact CE2-CE2 3.08Å; F138-F142 HydrophobicContact CE2-CE2 3.08Å; F138-F142 AromaticContact CE2-CZ 3.71Å; F138-F142 HydrophobicContact CE2-CZ 3.71Å; F138-F142 AromaticContact CG-CD2 3.87Å; F138-F142 HydrophobicContact CG-CD2 3.87Å; F138-F142 AromaticContact CG-CE2 3.87Å; F138-F142 HydrophobicContact CG-CE2 3.87Å; F138-F142 AromaticContact CZ-CD2 3.6Å; F138-F142 HydrophobicContact CZ-CD2 3.6Å; F138-F142 HydrophobicContact CZ-CE1 4.34Å; F138-F142 AromaticContact CZ-CE2 3.03Å; F138-F142 HydrophobicContact CZ-CE2 3.03Å; F138-F142 AromaticContact CZ-CZ 3.44Å; F138-F142 HydrophobicContact CZ-CZ 3.44Å; F138-F142 VanDerWaalsContact CZ-CZ 3.44Å; F138-F142 VanDerWaalsContact O-CD2 3.28Å; F138-F142 WeakPolarHBondContact O-CD2 3.4Å; F138-F142 PolarHBondContact O-N 3.12Å |
| 139 | S | 88.5 | Confident | 88.2 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 43% | 0.427 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.1 | -45.4 | 177.9 | -170 | 0 | 0 | 0 | 0 | 112.7 | I135 F136 S143 | I135-S139 WeakPolarHBondContact O-CB 3.24Å; I135-S139 PolarHBondContact O-N 2.92Å; F136-S139 PolarHBondContact O-N 2.87Å; S139-S143 WeakPolarHBondContact O-CB 3.37Å; S139-S143 PolarHBondContact O-N 2.79Å; S139-S143 PolarHBondContact O-OG 3.42Å |
| 140 | T | 87.4 | Confident | 88.3 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.2 | -33.9 | 177.4 | 37.7 | 0 | 0 | 0 | 0 | 113.3 | Y48 F136 A137 F138 F144 K145 W148 V152 | Y48-T140 WeakPolarHBondContact OH-CG2 3.21Å; F136-T140 PolarHBondContact O-N 3.25Å; F136-T140 PolarHBondContact O-OG1 2.89Å; A137-T140 WeakPolarHBondContact CA-OG1 3.37Å; A137-T140 PolarHBondContact O-N 2.79Å; A137-T140 PolarHBondContact O-OG1 3.37Å; F138-T140 VanDerWaalsContact C-N 3.35Å; F138-T140 PolarHBondContact O-N 3.32Å; T140-F144 PolarHBondContact O-N 3.49Å; T140-K145 HydrophobicContact CG2-CB 4.38Å; T140-K145 PolarHBondContact O-N 3.37Å; T140-W148 HydrophobicContact CG2-CB 3.72Å; T140-V152 HydrophobicContact CG2-CG2 4.27Å |
| 141 | L | 88.4 | Confident | 88.4 | Confident | 102 Ų | 102 | 70.7 Ų | 70.7 | 53% | 0.534 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.9 | -48.3 | 178.3 | -173.3 | 69 | 0 | 0 | 0 | 110.9 | A137 F138 F144 M149 | A137-L141 VanDerWaalsContact O-CB 3.28Å; A137-L141 WeakPolarHBondContact O-CB 3.31Å; A137-L141 PolarHBondContact O-N 2.87Å; F138-L141 WeakPolarHBondContact O-CB 3.31Å; F138-L141 PolarHBondContact O-N 3.24Å; F138-L141 VanDerWaalsContact O-N 3.1Å; L141-F144 PolarHBondContact O-N 3.12Å; L141-M149 HydrophobicContact CD1-CE 4.26Å |
| 142 | F | 89.1 | Confident | 88.4 | Confident | 130 Ų | 130 | 66.8 Ų | 66.8 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -74 | -30.2 | 178.9 | -77.8 | -90.4 | 0 | 0 | 0 | 113.1 | F138 F144 | F138-F142 AromaticContact CD1-CD2 3.59Å; F138-F142 HydrophobicContact CD1-CD2 3.59Å; F138-F142 AromaticContact CD1-CE2 3.83Å; F138-F142 HydrophobicContact CD1-CE2 3.83Å; F138-F142 AromaticContact CD2-CD2 4Å; F138-F142 HydrophobicContact CD2-CD2 4Å; F138-F142 AromaticContact CD2-CE2 3.5Å; F138-F142 HydrophobicContact CD2-CE2 3.5Å; F138-F142 AromaticContact CE1-CD2 3.43Å; F138-F142 HydrophobicContact CE1-CD2 3.43Å; F138-F142 VanDerWaalsContact CE1-CD2 3.43Å; F138-F142 AromaticContact CE1-CE2 3.42Å; F138-F142 HydrophobicContact CE1-CE2 3.42Å; F138-F142 VanDerWaalsContact CE1-CE2 3.42Å; F138-F142 HydrophobicContact CE1-CG 4.19Å; F138-F142 HydrophobicContact CE1-CZ 4.08Å; F138-F142 AromaticContact CE2-CD2 3.89Å; F138-F142 HydrophobicContact CE2-CD2 3.89Å; F138-F142 AromaticContact CE2-CE2 3.08Å; F138-F142 HydrophobicContact CE2-CE2 3.08Å; F138-F142 AromaticContact CE2-CZ 3.71Å; F138-F142 HydrophobicContact CE2-CZ 3.71Å; F138-F142 AromaticContact CG-CD2 3.87Å; F138-F142 HydrophobicContact CG-CD2 3.87Å; F138-F142 AromaticContact CG-CE2 3.87Å; F138-F142 HydrophobicContact CG-CE2 3.87Å; F138-F142 AromaticContact CZ-CD2 3.6Å; F138-F142 HydrophobicContact CZ-CD2 3.6Å; F138-F142 HydrophobicContact CZ-CE1 4.34Å; F138-F142 AromaticContact CZ-CE2 3.03Å; F138-F142 HydrophobicContact CZ-CE2 3.03Å; F138-F142 AromaticContact CZ-CZ 3.44Å; F138-F142 HydrophobicContact CZ-CZ 3.44Å; F138-F142 VanDerWaalsContact CZ-CZ 3.44Å; F138-F142 VanDerWaalsContact O-CD2 3.28Å; F138-F142 WeakPolarHBondContact O-CD2 3.4Å; F138-F142 PolarHBondContact O-N 3.12Å; F142-F144 VanDerWaalsContact C-N 3.25Å; F142-F144 WeakPolarHBondContact O-CD2 3.46Å; F142-F144 PolarHBondContact O-N 2.96Å |
| 143 | S | 84.9 | Confident | 88.5 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.3 | 176.7 | -53.7 | 0 | 0 | 0 | 0 | 113.5 | S139 K145 | S139-S143 WeakPolarHBondContact O-CB 3.37Å; S139-S143 PolarHBondContact O-N 2.79Å; S139-S143 PolarHBondContact O-OG 3.42Å; S143-K145 PolarHBondContact O-N 2.9Å |
| 144 | F | 84.5 | Confident | 88.6 | Confident | 177 Ų | 177 | 72.4 Ų | 72.4 | 78% | 0.776 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 30.3 | -175.2 | -65.9 | -83.2 | 0 | 0 | 0 | 114.4 | T140 L141 F142 V146 | T140-F144 PolarHBondContact O-N 3.49Å; L141-F144 PolarHBondContact O-N 3.12Å; F142-F144 VanDerWaalsContact C-N 3.25Å; F142-F144 WeakPolarHBondContact O-CD2 3.46Å; F142-F144 PolarHBondContact O-N 2.96Å; F144-V146 PolarHBondContact O-N 3.43Å |
| 145 | K | 81.4 | Confident | 88.6 | Confident | 89 Ų | 89 | 71 Ų | 71 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | trans | -81 | 65.2 | 177.7 | -76.8 | -164.7 | 175 | -171.7 | 0 | 110.1 | E52 T140 S143 K147 W148 | E52-K145 VanDerWaalsContact CD-NZ 3.26Å; E52-K145 IonicContact OE1-NZ 2.84Å; E52-K145 PolarHBondContact OE1-NZ 3.49Å; E52-K145 IonicContact OE2-NZ 2.83Å; E52-K145 PolarHBondContact OE2-NZ 3.23Å; T140-K145 HydrophobicContact CG2-CB 4.38Å; T140-K145 PolarHBondContact O-N 3.37Å; S143-K145 PolarHBondContact O-N 2.9Å; K145-K147 PolarHBondContact O-N 2.95Å; K145-W148 PolarHBondContact O-N 3.5Å | ||
| 146 | V | 82.1 | Confident | 88.7 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 65% | 0.648 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -54.4 | -32.9 | -172.3 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | F144 W148 M149 | F144-V146 PolarHBondContact O-N 3.43Å; V146-W148 PolarHBondContact O-N 3.2Å; V146-M149 WeakPolarHBondContact O-CB 3.39Å; V146-M149 PolarHBondContact O-N 3.22Å; V146-M149 VanDerWaalsContact O-N 3.11Å |
| 147 | K | 84.9 | Confident | 88.9 | Confident | 156 Ų | 156 | 71.8 Ų | 71.8 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -55 | -35.7 | 177 | -64.9 | -176.6 | -179.8 | 175.5 | 0 | 112.9 | F58 K145 P150 | F58-K147 HydrophobicContact CE1-CB 4.23Å; F58-K147 HydrophobicContact CE2-CB 3.8Å; F58-K147 HydrophobicContact CZ-CB 3.62Å; F58-K147 VanDerWaalsContact CZ-O 3.26Å; F58-K147 WeakPolarHBondContact CZ-O 3.42Å; K145-K147 PolarHBondContact O-N 2.95Å; K147-P150 WeakPolarHBondContact O-CD 3.35Å |
| 148 | W | 86.8 | Confident | 89 | Confident | 13 Ų | 13 | 72 Ų | 72 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -86.8 | -12.2 | -177.5 | -71.6 | 103.8 | 0 | 0 | 0 | 114 | Y48 C51 E52 F58 I65 T140 K145 V146 V151 V152 | Y48-W148 HydrophobicContact CD2-CE3 4.05Å; Y48-W148 HydrophobicContact CD2-CZ3 4.06Å; Y48-W148 HydrophobicContact CE2-CD2 4.33Å; Y48-W148 AromaticContact CE2-CE3 3.73Å; Y48-W148 HydrophobicContact CE2-CE3 3.73Å; Y48-W148 HydrophobicContact CE2-CZ3 4.2Å; C51-W148 HydrophobicContact CB-CH2 4.2Å; C51-W148 VanDerWaalsContact SG-CH2 3.53Å; E52-W148 HydrophobicContact CG-CZ2 4.02Å; E52-W148 PolarHBondContact OE1-NE1 3.31Å; E52-W148 VanDerWaalsContact OE1-NE1 3.12Å; F58-W148 HydrophobicContact CD2-CZ2 4.07Å; F58-W148 AromaticContact CE2-CD2 3.97Å; F58-W148 HydrophobicContact CE2-CD2 3.97Å; F58-W148 AromaticContact CE2-CE2 3.85Å; F58-W148 HydrophobicContact CE2-CE3 4.38Å; F58-W148 HydrophobicContact CE2-CG 4.35Å; F58-W148 HydrophobicContact CE2-CZ2 4.18Å; I65-W148 HydrophobicContact CD1-CH2 4.25Å; I65-W148 HydrophobicContact CD1-CZ3 3.66Å; T140-W148 HydrophobicContact CG2-CB 3.72Å; K145-W148 PolarHBondContact O-N 3.5Å; V146-W148 PolarHBondContact O-N 3.2Å; W148-V151 HydrophobicContact CE3-CG2 4.43Å; W148-V151 PolarHBondContact O-N 2.91Å; W148-V152 WeakPolarHBondContact O-CG2 3.22Å; W148-V152 PolarHBondContact O-N 2.91Å |
| 149 | M | 89.3 | Confident | 89 | Confident | 50 Ų | 50 | 66 Ų | 66 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.4 | -45.8 | -176.9 | -72.3 | -71.1 | -69 | 0 | 0 | 113.7 | L141 V146 V151 V152 I153 | L141-M149 HydrophobicContact CD1-CE 4.26Å; V146-M149 WeakPolarHBondContact O-CB 3.39Å; V146-M149 PolarHBondContact O-N 3.22Å; V146-M149 VanDerWaalsContact O-N 3.11Å; M149-V151 VanDerWaalsContact C-N 3.3Å; M149-V151 PolarHBondContact O-N 3.43Å; M149-V152 PolarHBondContact O-N 2.95Å; M149-I153 HydrophobicContact CE-CD1 4.36Å; M149-I153 VanDerWaalsContact O-CG1 3.28Å; M149-I153 WeakPolarHBondContact O-CG1 3.39Å; M149-I153 PolarHBondContact O-N 2.99Å |
| 150 | P | 89.9 | Confident | 89.2 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | -179.5 | -24.3 | 35.3 | 0 | 0 | 0 | 112.8 | K147 M154 | K147-P150 WeakPolarHBondContact O-CD 3.35Å; P150-M154 WeakPolarHBondContact O-CB 3.35Å; P150-M154 VanDerWaalsContact O-CG 3.24Å; P150-M154 WeakPolarHBondContact O-CG 3.18Å; P150-M154 PolarHBondContact O-N 3.28Å |
| 151 | V | 90.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | M62 I65 W133 W148 M149 M154 G155 | M62-V151 HydrophobicContact CB-CG2 4.33Å; M62-V151 HydrophobicContact CG-CG2 3.32Å; M62-V151 HydrophobicContact SD-CG2 4.39Å; I65-V151 HydrophobicContact CB-CG1 4.13Å; I65-V151 HydrophobicContact CD1-CG1 4.45Å; I65-V151 HydrophobicContact CG2-CG1 3.45Å; I65-V151 VanDerWaalsContact CG2-CG1 3.45Å; W133-V151 HydrophobicContact CH2-CG1 4.24Å; W133-V151 HydrophobicContact CZ3-CG1 4.2Å; W148-V151 HydrophobicContact CE3-CG2 4.43Å; W148-V151 PolarHBondContact O-N 2.91Å; M149-V151 VanDerWaalsContact C-N 3.3Å; M149-V151 PolarHBondContact O-N 3.43Å; V151-M154 PolarHBondContact O-N 3.14Å; V151-G155 PolarHBondContact O-N 3.28Å |
| 152 | V | 91.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.6 | -38.8 | -176.8 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | Y48 W133 F136 A137 T140 W148 M149 G155 L156 | Y48-V152 HydrophobicContact CE2-CG2 3.81Å; W133-V152 HydrophobicContact CE3-CB 4.47Å; W133-V152 HydrophobicContact CE3-CG1 4.22Å; W133-V152 HydrophobicContact CE3-CG2 4.49Å; W133-V152 HydrophobicContact CZ3-CG2 4.25Å; F136-V152 HydrophobicContact CB-CG1 4.33Å; F136-V152 HydrophobicContact CB-CG2 4.41Å; A137-V152 HydrophobicContact CB-CG1 3.39Å; T140-V152 HydrophobicContact CG2-CG2 4.27Å; W148-V152 WeakPolarHBondContact O-CG2 3.22Å; W148-V152 PolarHBondContact O-N 2.91Å; M149-V152 PolarHBondContact O-N 2.95Å; V152-G155 PolarHBondContact O-N 3.18Å; V152-L156 PolarHBondContact O-N 2.94Å |
| 153 | I | 92.4 | Very high | 89.9 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 172.5 | -67.2 | 169.4 | 0 | 0 | 0 | 110.1 | M149 G155 L156 V157 | M149-I153 HydrophobicContact CE-CD1 4.36Å; M149-I153 VanDerWaalsContact O-CG1 3.28Å; M149-I153 WeakPolarHBondContact O-CG1 3.39Å; M149-I153 PolarHBondContact O-N 2.99Å; I153-G155 VanDerWaalsContact C-N 3.33Å; I153-G155 PolarHBondContact O-N 3.48Å; I153-L156 PolarHBondContact O-N 3.2Å; I153-V157 HydrophobicContact CG2-CG2 4.27Å; I153-V157 WeakPolarHBondContact O-CG2 3.39Å; I153-V157 PolarHBondContact O-N 3.42Å |
| 154 | M | 92.8 | Very high | 90.3 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 41% | 0.414 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 177 | -75.6 | -65.2 | -71 | 0 | 0 | 112 | P150 V151 L156 V157 L158 | P150-M154 WeakPolarHBondContact O-CB 3.35Å; P150-M154 VanDerWaalsContact O-CG 3.24Å; P150-M154 WeakPolarHBondContact O-CG 3.18Å; P150-M154 PolarHBondContact O-N 3.28Å; V151-M154 PolarHBondContact O-N 3.14Å; M154-L156 PolarHBondContact O-N 2.94Å; M154-V157 PolarHBondContact O-N 3.4Å; M154-L158 HydrophobicContact CE-CD1 4.49Å; M154-L158 WeakPolarHBondContact O-CB 3.48Å; M154-L158 VanDerWaalsContact O-CG 3.31Å; M154-L158 WeakPolarHBondContact O-CG 3.39Å; M154-L158 PolarHBondContact O-N 2.96Å |
| 155 | G | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V151 V152 I153 Q159 | V151-G155 PolarHBondContact O-N 3.28Å; V152-G155 PolarHBondContact O-N 3.18Å; I153-G155 VanDerWaalsContact C-N 3.33Å; I153-G155 PolarHBondContact O-N 3.48Å; G155-Q159 WeakPolarHBondContact O-CB 3.47Å; G155-Q159 VanDerWaalsContact O-CG 3.22Å; G155-Q159 WeakPolarHBondContact O-CG 3.35Å; G155-Q159 PolarHBondContact O-N 2.91Å; G155-Q159 VanDerWaalsContact O-N 3.12Å |
| 156 | L | 93.9 | Very high | 91.1 | Very high | 60 Ų | 60 | 49 Ų | 49 | 31% | 0.314 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 176.5 | -78.8 | 175.5 | 0 | 0 | 0 | 112.8 | W133 A137 V152 I153 M154 G160 | W133-L156 HydrophobicContact CB-CD2 3.98Å; W133-L156 HydrophobicContact CB-CG 4.29Å; A137-L156 HydrophobicContact CB-CD1 3.7Å; V152-L156 PolarHBondContact O-N 2.94Å; I153-L156 PolarHBondContact O-N 3.2Å; M154-L156 PolarHBondContact O-N 2.94Å; L156-G160 WeakPolarHBondContact O-CA 3.2Å; L156-G160 PolarHBondContact O-N 3.01Å |
| 157 | V | 95.1 | Very high | 91.5 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.5 | -48 | -177.9 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | I153 M154 Q159 G160 A161 | I153-V157 HydrophobicContact CG2-CG2 4.27Å; I153-V157 WeakPolarHBondContact O-CG2 3.39Å; I153-V157 PolarHBondContact O-N 3.42Å; M154-V157 PolarHBondContact O-N 3.4Å; V157-Q159 PolarHBondContact O-N 3.26Å; V157-G160 PolarHBondContact O-N 3.48Å; V157-A161 WeakPolarHBondContact O-CB 3.29Å; V157-A161 PolarHBondContact O-N 3.31Å |
| 158 | L | 92.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | -179.2 | -70.9 | 173.8 | 0 | 0 | 0 | 111.4 | L69 F73 M154 N162 | L69-L158 HydrophobicContact CB-CD1 4.04Å; F73-L158 HydrophobicContact CB-CB 4.4Å; F73-L158 HydrophobicContact CB-CD2 4.34Å; F73-L158 HydrophobicContact CD1-CD2 4.44Å; F73-L158 HydrophobicContact CD2-CB 3.98Å; F73-L158 HydrophobicContact CD2-CD2 3.86Å; F73-L158 VanDerWaalsContact CD2-O 3.31Å; F73-L158 WeakPolarHBondContact CD2-O 3.44Å; F73-L158 HydrophobicContact CE2-CD2 4.3Å; F73-L158 HydrophobicContact CG-CB 4.47Å; F73-L158 HydrophobicContact CG-CD2 3.95Å; M154-L158 HydrophobicContact CE-CD1 4.49Å; M154-L158 WeakPolarHBondContact O-CB 3.48Å; M154-L158 VanDerWaalsContact O-CG 3.31Å; M154-L158 WeakPolarHBondContact O-CG 3.39Å; M154-L158 PolarHBondContact O-N 2.96Å; L158-N162 PolarHBondContact O-N 3.39Å |
| 159 | Q | 91.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.6 | -36.7 | 177.9 | -60.4 | -62.6 | 40.6 | 0 | 0 | 112.6 | D72 C129 P130 G155 V157 N162 L163 | D72-Q159 PolarHBondContact OD2-NE2 3.43Å; D72-Q159 PolarHBondContact OD2-OE1 3.31Å; C129-Q159 PolarHBondContact SG-NE2 3.02Å; P130-Q159 HydrophobicContact CB-CB 4Å; P130-Q159 HydrophobicContact CG-CB 4.42Å; G155-Q159 WeakPolarHBondContact O-CB 3.47Å; G155-Q159 VanDerWaalsContact O-CG 3.22Å; G155-Q159 WeakPolarHBondContact O-CG 3.35Å; G155-Q159 PolarHBondContact O-N 2.91Å; G155-Q159 VanDerWaalsContact O-N 3.12Å; V157-Q159 PolarHBondContact O-N 3.26Å; Q159-N162 PolarHBondContact O-N 3.42Å; Q159-L163 WeakPolarHBondContact O-CB 3.38Å; Q159-L163 PolarHBondContact O-N 3.43Å |
| 160 | G | 92.5 | Very high | 91.5 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L156 V157 N162 L163 Y164 | L156-G160 WeakPolarHBondContact O-CA 3.2Å; L156-G160 PolarHBondContact O-N 3.01Å; V157-G160 PolarHBondContact O-N 3.48Å; G160-N162 PolarHBondContact O-N 2.98Å; G160-L163 PolarHBondContact O-N 2.83Å; G160-Y164 VanDerWaalsContact O-CB 3.29Å; G160-Y164 WeakPolarHBondContact O-CB 3.33Å; G160-Y164 PolarHBondContact O-N 3.49Å |
| 161 | A | 93.2 | Very high | 91.2 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F73 V157 G165 | F73-A161 HydrophobicContact CE2-CB 4.22Å; V157-A161 WeakPolarHBondContact O-CB 3.29Å; V157-A161 PolarHBondContact O-N 3.31Å; A161-G165 PolarHBondContact O-N 2.91Å |
| 162 | N | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.5 | -49.6 | 174 | -88.1 | -33.3 | 0 | 0 | 0 | 111.4 | F73 V76 L126 L158 Q159 G160 Y164 G165 Y166 | F73-N162 WeakPolarHBondContact CD2-ND2 3.37Å; F73-N162 PolarHBondContact O-ND2 3.24Å; V76-N162 HydrophobicContact CG1-CB 4.03Å; L126-N162 HydrophobicContact CD1-CB 4Å; L158-N162 PolarHBondContact O-N 3.39Å; Q159-N162 PolarHBondContact O-N 3.42Å; G160-N162 PolarHBondContact O-N 2.98Å; N162-Y164 PolarHBondContact O-N 2.85Å; N162-G165 PolarHBondContact O-N 3.25Å; N162-Y166 HydrophobicContact CB-CD2 4.46Å; N162-Y166 HydrophobicContact CB-CE2 4.43Å; N162-Y166 WeakPolarHBondContact O-CD2 3.32Å; N162-Y166 PolarHBondContact O-N 3.32Å |
| 163 | L | 92.9 | Very high | 90 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.7 | -50.2 | 179 | 178.1 | 61.8 | 0 | 0 | 0 | 111.4 | L126 I127 P130 Q159 G160 G165 Y166 V167 | L126-L163 HydrophobicContact CD2-CD1 3.99Å; L126-L163 HydrophobicContact CG-CB 4.33Å; L126-L163 HydrophobicContact CG-CD1 3.9Å; I127-L163 HydrophobicContact CG1-CD1 3.96Å; P130-L163 HydrophobicContact CG-CD2 4.16Å; Q159-L163 WeakPolarHBondContact O-CB 3.38Å; Q159-L163 PolarHBondContact O-N 3.43Å; G160-L163 PolarHBondContact O-N 2.83Å; L163-G165 PolarHBondContact O-N 2.61Å; L163-Y166 PolarHBondContact O-N 3.37Å; L163-V167 HydrophobicContact CD1-CG2 3.89Å; L163-V167 HydrophobicContact CG-CG2 4.36Å; L163-V167 WeakPolarHBondContact O-CB 3.45Å; L163-V167 WeakPolarHBondContact O-CG2 3.13Å; L163-V167 PolarHBondContact O-N 3.45Å |
| 164 | Y | 93.1 | Very high | 89.3 | Confident | 162 Ų | 162 | 50 Ų | 50 | 64% | 0.635 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.4 | -49.1 | 178.4 | 177.9 | -102 | 0 | 0 | 0 | 111.8 | G160 N162 Y166 V167 R168 | G160-Y164 VanDerWaalsContact O-CB 3.29Å; G160-Y164 WeakPolarHBondContact O-CB 3.33Å; G160-Y164 PolarHBondContact O-N 3.49Å; N162-Y164 PolarHBondContact O-N 2.85Å; Y164-Y166 PolarHBondContact O-N 3.06Å; Y164-V167 PolarHBondContact O-N 3.44Å; Y164-R168 WeakPolarHBondContact O-CB 3.25Å; Y164-R168 PolarHBondContact O-N 3.25Å |
| 165 | G | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.5 | -47.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A161 N162 L163 R168 C169 | A161-G165 PolarHBondContact O-N 2.91Å; N162-G165 PolarHBondContact O-N 3.25Å; L163-G165 PolarHBondContact O-N 2.61Å; G165-R168 PolarHBondContact O-N 3.47Å; G165-C169 PolarHBondContact O-N 2.77Å; G165-C169 PolarHBondContact O-SG 2.96Å; G165-C169 VanDerWaalsContact O-SG 3.37Å |
| 166 | Y | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.4 | -37.8 | 179.9 | -73.1 | -64.5 | 0 | 0 | 0 | 113.3 | V76 K77 L87 W89 F122 W123 L126 N162 L163 Y164 R168 C169 K170 | V76-Y166 HydrophobicContact CG1-CE2 3.9Å; V76-Y166 PolarHBondContact O-OH 3.21Å; K77-Y166 WeakPolarHBondContact CA-OH 3.49Å; K77-Y166 PolarHBondContact O-OH 2.66Å; L87-Y166 HydrophobicContact CB-CD1 3.68Å; L87-Y166 HydrophobicContact CB-CE1 3.88Å; L87-Y166 HydrophobicContact CD1-CD1 4.07Å; W89-Y166 AromaticContact CD1-CZ 3.95Å; W89-Y166 AromaticContact NE1-CE2 3.63Å; W89-Y166 AromaticContact NE1-CZ 3.76Å; F122-Y166 HydrophobicContact CE1-CD1 4.29Å; F122-Y166 HydrophobicContact CE1-CD2 4.36Å; F122-Y166 HydrophobicContact CE1-CG 4.11Å; F122-Y166 AromaticContact CZ-CD1 3.98Å; F122-Y166 HydrophobicContact CZ-CD1 3.98Å; F122-Y166 AromaticContact CZ-CD2 3.73Å; F122-Y166 HydrophobicContact CZ-CD2 3.73Å; F122-Y166 HydrophobicContact CZ-CE1 4.05Å; F122-Y166 AromaticContact CZ-CE2 3.86Å; F122-Y166 HydrophobicContact CZ-CE2 3.86Å; F122-Y166 AromaticContact CZ-CG 3.85Å; F122-Y166 HydrophobicContact CZ-CG 3.85Å; W123-Y166 WeakPolarHBondContact CH2-O 3.44Å; L126-Y166 HydrophobicContact CD1-CD2 4.18Å; L126-Y166 HydrophobicContact CD2-CD2 3.98Å; L126-Y166 HydrophobicContact CD2-CG 4.18Å; N162-Y166 HydrophobicContact CB-CD2 4.46Å; N162-Y166 HydrophobicContact CB-CE2 4.43Å; N162-Y166 WeakPolarHBondContact O-CD2 3.32Å; N162-Y166 PolarHBondContact O-N 3.32Å; L163-Y166 PolarHBondContact O-N 3.37Å; Y164-Y166 PolarHBondContact O-N 3.06Å; Y166-R168 VanDerWaalsContact C-N 3.26Å; Y166-R168 PolarHBondContact O-N 3.46Å; Y166-C169 WeakPolarHBondContact O-CB 3.22Å; Y166-C169 PolarHBondContact O-N 3.04Å; Y166-K170 PolarHBondContact O-N 3.4Å |
| 167 | V | 91 | Very high | 87.1 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 38% | 0.376 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 173.2 | 168 | 0 | 0 | 0 | 0 | 109.8 | W123 L163 Y164 K170 V171 | W123-V167 HydrophobicContact CZ3-CG2 4.07Å; L163-V167 HydrophobicContact CD1-CG2 3.89Å; L163-V167 HydrophobicContact CG-CG2 4.36Å; L163-V167 WeakPolarHBondContact O-CB 3.45Å; L163-V167 WeakPolarHBondContact O-CG2 3.13Å; L163-V167 PolarHBondContact O-N 3.45Å; Y164-V167 PolarHBondContact O-N 3.44Å; V167-K170 PolarHBondContact O-N 2.89Å; V167-V171 HydrophobicContact CG1-CG2 4.26Å; V167-V171 WeakPolarHBondContact O-CG2 3.25Å; V167-V171 PolarHBondContact O-N 3.33Å |
| 168 | R | 88.6 | Confident | 86.2 | Confident | 121 Ų | 121 | 56.8 Ų | 56.8 | 46% | 0.457 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 177.7 | -163.6 | 68.3 | -147.7 | 168 | -1.6 | 112.8 | F103 Y164 G165 Y166 K170 G172 | F103-R168 HydrophobicContact CD1-CB 3.94Å; F103-R168 HydrophobicContact CD1-CG 4.14Å; F103-R168 HydrophobicContact CD2-CG 4.08Å; F103-R168 HydrophobicContact CE1-CB 3.71Å; F103-R168 HydrophobicContact CE1-CG 3.95Å; F103-R168 HydrophobicContact CE2-CG 3.85Å; F103-R168 HydrophobicContact CG-CB 4.47Å; F103-R168 HydrophobicContact CG-CG 4.22Å; F103-R168 HydrophobicContact CZ-CB 4.02Å; F103-R168 HydrophobicContact CZ-CG 3.79Å; Y164-R168 WeakPolarHBondContact O-CB 3.25Å; Y164-R168 PolarHBondContact O-N 3.25Å; G165-R168 PolarHBondContact O-N 3.47Å; Y166-R168 VanDerWaalsContact C-N 3.26Å; Y166-R168 PolarHBondContact O-N 3.46Å; R168-K170 PolarHBondContact O-N 3.34Å; R168-G172 PolarHBondContact O-N 3.01Å |
| 169 | C | 86.7 | Confident | 85.7 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.7 | -48.4 | 168.4 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | L87 R88 G165 Y166 A173 | L87-C169 HydrophobicContact CB-CB 4.1Å; L87-C169 HydrophobicContact CD1-CB 4.02Å; L87-C169 HydrophobicContact CD2-CB 4.12Å; L87-C169 HydrophobicContact CG-CB 4.29Å; R88-C169 PolarHBondContact O-SG 3.41Å; R88-C169 VanDerWaalsContact O-SG 3.32Å; G165-C169 PolarHBondContact O-N 2.77Å; G165-C169 PolarHBondContact O-SG 2.96Å; G165-C169 VanDerWaalsContact O-SG 3.37Å; Y166-C169 WeakPolarHBondContact O-CB 3.22Å; Y166-C169 PolarHBondContact O-N 3.04Å; C169-A173 VanDerWaalsContact O-CB 3.22Å; C169-A173 WeakPolarHBondContact O-CB 3.45Å; C169-A173 PolarHBondContact O-N 3.22Å |
| 170 | K | 84.6 | Confident | 85.1 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | -176.5 | -169.1 | -173.7 | -163.1 | 164.8 | 0 | 112.5 | W123 Y166 V167 R168 K174 | W123-K170 HydrophobicContact CH2-CB 3.85Å; W123-K170 HydrophobicContact CH2-CD 3.78Å; W123-K170 HydrophobicContact CH2-CG 4.36Å; W123-K170 HydrophobicContact CZ2-CB 3.92Å; W123-K170 HydrophobicContact CZ2-CD 3.54Å; W123-K170 HydrophobicContact CZ2-CG 4.08Å; W123-K170 HydrophobicContact CZ3-CD 4.48Å; Y166-K170 PolarHBondContact O-N 3.4Å; V167-K170 PolarHBondContact O-N 2.89Å; R168-K170 PolarHBondContact O-N 3.34Å; K170-K174 WeakPolarHBondContact O-CG 3.38Å; K170-K174 PolarHBondContact O-N 3.02Å |
| 171 | V | 83.9 | Confident | 84.6 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 38% | 0.382 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.9 | -45 | -179.8 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | V167 A173 K174 T175 | V167-V171 HydrophobicContact CG1-CG2 4.26Å; V167-V171 WeakPolarHBondContact O-CG2 3.25Å; V167-V171 PolarHBondContact O-N 3.33Å; V171-A173 VanDerWaalsContact C-N 3.33Å; V171-A173 PolarHBondContact O-N 3.09Å; V171-K174 PolarHBondContact O-N 3.44Å; V171-T175 PolarHBondContact O-N 2.82Å; V171-T175 VanDerWaalsContact O-N 3.09Å; V171-T175 PolarHBondContact O-OG1 3.03Å |
| 172 | G | 79.4 | Confident | 84.3 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R168 K174 T175 S176 | R168-G172 PolarHBondContact O-N 3.01Å; G172-K174 PolarHBondContact O-N 2.9Å; G172-T175 PolarHBondContact O-N 3.46Å; G172-S176 WeakPolarHBondContact O-CB 3.43Å; G172-S176 PolarHBondContact O-N 2.98Å |
| 173 | A | 78.2 | Confident | 83.9 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S105 C169 V171 S176 L177 | S105-A173 WeakPolarHBondContact OG-CB 3.19Å; C169-A173 VanDerWaalsContact O-CB 3.22Å; C169-A173 WeakPolarHBondContact O-CB 3.45Å; C169-A173 PolarHBondContact O-N 3.22Å; V171-A173 VanDerWaalsContact C-N 3.33Å; V171-A173 PolarHBondContact O-N 3.09Å; A173-S176 PolarHBondContact O-N 3.26Å; A173-L177 WeakPolarHBondContact O-CG 3.4Å; A173-L177 PolarHBondContact O-N 3.5Å |
| 174 | K | 77.3 | Confident | 83.6 | Confident | 138 Ų | 138 | 77 Ų | 77 | 60% | 0.6 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 179.3 | -72.7 | -177.6 | 176 | -164.7 | 0 | 112.3 | K170 V171 G172 L177 K178 | K170-K174 WeakPolarHBondContact O-CG 3.38Å; K170-K174 PolarHBondContact O-N 3.02Å; V171-K174 PolarHBondContact O-N 3.44Å; G172-K174 PolarHBondContact O-N 2.9Å; K174-L177 PolarHBondContact O-N 2.91Å; K174-K178 PolarHBondContact O-N 3.38Å |
| 175 | T | 78.7 | Confident | 83.4 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 42% | 0.423 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 178.6 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | V171 G172 L177 K178 N179 | V171-T175 PolarHBondContact O-N 2.82Å; V171-T175 VanDerWaalsContact O-N 3.09Å; V171-T175 PolarHBondContact O-OG1 3.03Å; G172-T175 PolarHBondContact O-N 3.46Å; T175-L177 VanDerWaalsContact C-N 3.34Å; T175-L177 PolarHBondContact O-N 3.48Å; T175-K178 PolarHBondContact O-N 3.32Å; T175-N179 VanDerWaalsContact O-CG 3.25Å; T175-N179 PolarHBondContact O-N 3.32Å; T175-N179 PolarHBondContact O-OD1 3.06Å |
| 176 | S | 76.8 | Confident | 83.3 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | G172 A173 N179 M180 | G172-S176 WeakPolarHBondContact O-CB 3.43Å; G172-S176 PolarHBondContact O-N 2.98Å; A173-S176 PolarHBondContact O-N 3.26Å; S176-N179 PolarHBondContact O-N 3.01Å; S176-M180 WeakPolarHBondContact O-CB 3.34Å; S176-M180 PolarHBondContact O-N 3.5Å |
| 177 | L | 76.1 | Confident | 83.1 | Confident | 91 Ų | 91 | 87.2 Ų | 87.2 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 176.1 | -74.5 | 170.3 | 0 | 0 | 0 | 112.4 | A173 K174 T175 N179 M180 A181 | A173-L177 WeakPolarHBondContact O-CG 3.4Å; A173-L177 PolarHBondContact O-N 3.5Å; K174-L177 PolarHBondContact O-N 2.91Å; T175-L177 VanDerWaalsContact C-N 3.34Å; T175-L177 PolarHBondContact O-N 3.48Å; L177-N179 PolarHBondContact O-N 2.86Å; L177-M180 PolarHBondContact O-N 2.93Å; L177-A181 PolarHBondContact O-N 3.15Å |
| 178 | K | 77.4 | Confident | 82.9 | Confident | 149 Ų | 149 | 87.7 Ų | 87.7 | 65% | 0.648 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.2 | -48 | 177.6 | -173.9 | 179.3 | 178.5 | -177.5 | 0 | 111 | K174 T175 M180 A181 T182 | K174-K178 PolarHBondContact O-N 3.38Å; T175-K178 PolarHBondContact O-N 3.32Å; K178-M180 PolarHBondContact O-N 3.44Å; K178-A181 PolarHBondContact O-N 2.72Å; K178-T182 PolarHBondContact O-N 2.9Å; K178-T182 PolarHBondContact O-OG1 3.46Å; K178-T182 VanDerWaalsContact O-OG1 3.06Å |
| 179 | N | 80.2 | Confident | 82.9 | Confident | 86 Ų | 86 | 88.6 Ų | 88.6 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | -179.3 | -67 | -4.2 | 0 | 0 | 0 | 112.1 | T175 S176 L177 N183 | T175-N179 VanDerWaalsContact O-CG 3.25Å; T175-N179 PolarHBondContact O-N 3.32Å; T175-N179 PolarHBondContact O-OD1 3.06Å; S176-N179 PolarHBondContact O-N 3.01Å; L177-N179 PolarHBondContact O-N 2.86Å; N179-N183 WeakPolarHBondContact O-CB 3.18Å; N179-N183 PolarHBondContact O-N 2.96Å; N179-N183 PolarHBondContact O-ND2 3.01Å |
| 180 | M | 80.4 | Confident | 83 | Confident | 109 Ų | 109 | 93.4 Ų | 93.4 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 176.1 | -178.1 | 174 | -81 | 0 | 0 | 111.8 | K107 S176 L177 K178 Y184 | K107-M180 PolarHBondContact NZ-SD 2.81Å; S176-M180 WeakPolarHBondContact O-CB 3.34Å; S176-M180 PolarHBondContact O-N 3.5Å; L177-M180 PolarHBondContact O-N 2.93Å; K178-M180 PolarHBondContact O-N 3.44Å; M180-Y184 WeakPolarHBondContact O-CB 3.41Å; M180-Y184 PolarHBondContact O-N 2.99Å |
| 181 | A | 81.9 | Confident | 83.1 | Confident | 44 Ų | 44 | 96 Ų | 96 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L177 K178 N183 Y184 F185 | L177-A181 PolarHBondContact O-N 3.15Å; K178-A181 PolarHBondContact O-N 2.72Å; A181-N183 VanDerWaalsContact C-N 3.33Å; A181-N183 PolarHBondContact O-N 3.48Å; A181-Y184 PolarHBondContact O-N 2.93Å; A181-Y184 VanDerWaalsContact O-N 3.15Å; A181-F185 WeakPolarHBondContact O-CD2 3.3Å; A181-F185 PolarHBondContact O-N 3.21Å |
| 182 | T | 86.4 | Confident | 83.2 | Confident | 83 Ų | 83 | 99.2 Ų | 99.2 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | K178 Y184 F185 G186 | K178-T182 PolarHBondContact O-N 2.9Å; K178-T182 PolarHBondContact O-OG1 3.46Å; K178-T182 VanDerWaalsContact O-OG1 3.06Å; T182-Y184 VanDerWaalsContact C-N 3.35Å; T182-Y184 PolarHBondContact O-N 2.95Å; T182-F185 PolarHBondContact O-N 2.95Å; T182-G186 PolarHBondContact O-N 3.3Å |
| 183 | N | 84.9 | Confident | 83.3 | Confident | 107 Ų | 107 | 100.8 Ų | 100.8 | 57% | 0.572 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -35.2 | 177.4 | -72.1 | -17.1 | 0 | 0 | 0 | 112.6 | N179 A181 R187 | N179-N183 WeakPolarHBondContact O-CB 3.18Å; N179-N183 PolarHBondContact O-N 2.96Å; N179-N183 PolarHBondContact O-ND2 3.01Å; A181-N183 VanDerWaalsContact C-N 3.33Å; A181-N183 PolarHBondContact O-N 3.48Å; N183-R187 WeakPolarHBondContact O-CB 3.45Å; N183-R187 WeakPolarHBondContact O-CG 3.45Å; N183-R187 PolarHBondContact O-N 3.2Å |
| 184 | Y | 87.6 | Confident | 83.6 | Confident | 141 Ų | 141 | 104 Ų | 104 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.6 | -48.8 | 176 | -175.2 | -94.7 | 0 | 0 | 0 | 111.4 | M180 A181 T182 G186 R187 Q188 | M180-Y184 WeakPolarHBondContact O-CB 3.41Å; M180-Y184 PolarHBondContact O-N 2.99Å; A181-Y184 PolarHBondContact O-N 2.93Å; A181-Y184 VanDerWaalsContact O-N 3.15Å; T182-Y184 VanDerWaalsContact C-N 3.35Å; T182-Y184 PolarHBondContact O-N 2.95Å; Y184-G186 PolarHBondContact O-N 3.03Å; Y184-R187 PolarHBondContact O-N 3.06Å; Y184-Q188 HydrophobicContact CD1-CG 4.15Å; Y184-Q188 HydrophobicContact CE1-CG 3.81Å; Y184-Q188 WeakPolarHBondContact O-CG 3.33Å; Y184-Q188 PolarHBondContact O-N 3.32Å |
| 185 | F | 88.5 | Confident | 83.7 | Confident | 148 Ų | 148 | 100.5 Ų | 100.5 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 175.9 | -79 | -68.4 | 0 | 0 | 0 | 112.2 | A181 T182 R187 Q188 F189 | A181-F185 WeakPolarHBondContact O-CD2 3.3Å; A181-F185 PolarHBondContact O-N 3.21Å; T182-F185 PolarHBondContact O-N 2.95Å; F185-R187 VanDerWaalsContact C-N 3.33Å; F185-R187 PolarHBondContact O-N 2.96Å; F185-Q188 PolarHBondContact O-N 2.94Å; F185-F189 WeakPolarHBondContact O-CB 3.45Å; F185-F189 PolarHBondContact O-N 2.83Å |
| 186 | G | 88.6 | Confident | 83.5 | Confident | 42 Ų | 42 | 104.9 Ų | 104.9 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T182 Y184 L190 | T182-G186 PolarHBondContact O-N 3.3Å; Y184-G186 PolarHBondContact O-N 3.03Å; G186-L190 WeakPolarHBondContact O-CB 3.41Å; G186-L190 PolarHBondContact O-N 3.43Å |
| 187 | R | 86.9 | Confident | 83.2 | Confident | 185 Ų | 185 | 108.6 Ų | 108.6 | 70% | 0.698 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67 | -37.6 | 174.1 | -78.5 | -178.1 | 179 | -168.4 | -0.4 | 113 | N183 Y184 F185 K191 | N183-R187 WeakPolarHBondContact O-CB 3.45Å; N183-R187 WeakPolarHBondContact O-CG 3.45Å; N183-R187 PolarHBondContact O-N 3.2Å; Y184-R187 PolarHBondContact O-N 3.06Å; F185-R187 VanDerWaalsContact C-N 3.33Å; F185-R187 PolarHBondContact O-N 2.96Å; R187-K191 WeakPolarHBondContact O-CB 3.35Å; R187-K191 VanDerWaalsContact O-CG 3.3Å; R187-K191 WeakPolarHBondContact O-CG 3.47Å; R187-K191 PolarHBondContact O-N 3.47Å |
| 188 | Q | 86.9 | Confident | 82.7 | Confident | 73 Ų | 73 | 112.5 Ų | 112.5 | 34% | 0.341 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 176.4 | -70.1 | -64.2 | -39.3 | 0 | 0 | 111.2 | Y184 F185 K191 Q192 | Y184-Q188 HydrophobicContact CD1-CG 4.15Å; Y184-Q188 HydrophobicContact CE1-CG 3.81Å; Y184-Q188 WeakPolarHBondContact O-CG 3.33Å; Y184-Q188 PolarHBondContact O-N 3.32Å; F185-Q188 PolarHBondContact O-N 2.94Å; Q188-K191 PolarHBondContact O-N 2.79Å; Q188-Q192 WeakPolarHBondContact O-CG 3.32Å; Q188-Q192 PolarHBondContact O-N 3.33Å |
| 189 | F | 88.9 | Confident | 81.7 | Confident | 140 Ų | 140 | 113.4 Ų | 113.4 | 61% | 0.614 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.9 | -45.6 | 176.7 | -170.5 | -100.3 | 0 | 0 | 0 | 111.8 | F185 K191 Q192 T193 | F185-F189 WeakPolarHBondContact O-CB 3.45Å; F185-F189 PolarHBondContact O-N 2.83Å; F189-K191 VanDerWaalsContact C-N 3.3Å; F189-K191 PolarHBondContact O-N 2.91Å; F189-Q192 PolarHBondContact O-N 3.47Å; F189-Q192 VanDerWaalsContact O-N 3.17Å; F189-T193 HydrophobicContact CD1-CG2 4.22Å; F189-T193 HydrophobicContact CE1-CG2 3.89Å; F189-T193 HydrophobicContact CZ-CG2 4.18Å; F189-T193 WeakPolarHBondContact O-CG2 3.48Å; F189-T193 PolarHBondContact O-N 3.11Å; F189-T193 PolarHBondContact O-OG1 2.97Å |
| 190 | L | 89.4 | Confident | 80.3 | Confident | 102 Ų | 102 | 116.9 Ų | 116.9 | 53% | 0.534 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.2 | -39.5 | 175.4 | -172.4 | 76.6 | 0 | 0 | 0 | 112.1 | G186 T193 L194 | G186-L190 WeakPolarHBondContact O-CB 3.41Å; G186-L190 PolarHBondContact O-N 3.43Å; L190-T193 WeakPolarHBondContact CA-OG1 3.44Å; L190-T193 PolarHBondContact O-N 3.17Å; L190-T193 PolarHBondContact O-OG1 3.38Å; L190-L194 HydrophobicContact CD2-CD1 4.49Å; L190-L194 HydrophobicContact CG-CD1 4.05Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.29Å; L190-L194 PolarHBondContact O-N 3.02Å |
| 191 | K | 86.6 | Confident | 80.3 | Confident | 139 Ų | 139 | 117.3 Ų | 117.3 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65 | -41.7 | 175.1 | -80.6 | -175.7 | 173.4 | -160.2 | 0 | 112.2 | R187 Q188 F189 S195 | R187-K191 WeakPolarHBondContact O-CB 3.35Å; R187-K191 VanDerWaalsContact O-CG 3.3Å; R187-K191 WeakPolarHBondContact O-CG 3.47Å; R187-K191 PolarHBondContact O-N 3.47Å; Q188-K191 PolarHBondContact O-N 2.79Å; F189-K191 VanDerWaalsContact C-N 3.3Å; F189-K191 PolarHBondContact O-N 2.91Å; K191-S195 VanDerWaalsContact O-CB 3.29Å; K191-S195 WeakPolarHBondContact O-CB 3.39Å; K191-S195 PolarHBondContact O-N 3.06Å |
| 192 | Q | 85.8 | Confident | 80.2 | Confident | 130 Ų | 130 | 121.1 Ų | 121.1 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65 | -39.1 | 176.6 | -76.5 | 178.5 | -24.6 | 0 | 0 | 112.2 | Q188 F189 K196 | Q188-Q192 WeakPolarHBondContact O-CG 3.32Å; Q188-Q192 PolarHBondContact O-N 3.33Å; F189-Q192 PolarHBondContact O-N 3.47Å; F189-Q192 VanDerWaalsContact O-N 3.17Å; Q192-K196 WeakPolarHBondContact O-CB 3.44Å; Q192-K196 PolarHBondContact O-N 3.16Å |
| 193 | T | 82.8 | Confident | 79.9 | Confident | 58 Ų | 58 | 123.2 Ų | 123.2 | 36% | 0.356 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.4 | -43.2 | 177.6 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | F189 L190 K196 E197 | F189-T193 HydrophobicContact CD1-CG2 4.22Å; F189-T193 HydrophobicContact CE1-CG2 3.89Å; F189-T193 HydrophobicContact CZ-CG2 4.18Å; F189-T193 WeakPolarHBondContact O-CG2 3.48Å; F189-T193 PolarHBondContact O-N 3.11Å; F189-T193 PolarHBondContact O-OG1 2.97Å; L190-T193 WeakPolarHBondContact CA-OG1 3.44Å; L190-T193 PolarHBondContact O-N 3.17Å; L190-T193 PolarHBondContact O-OG1 3.38Å; T193-K196 PolarHBondContact O-N 3.28Å; T193-E197 PolarHBondContact O-N 3.25Å; T193-E197 VanDerWaalsContact O-N 3.1Å |
| 194 | L | 84.6 | Confident | 79.6 | Confident | 87 Ų | 87 | 124.2 Ų | 124.2 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.9 | -42.8 | 177.4 | -73.6 | 167.9 | 0 | 0 | 0 | 111.9 | L190 K196 E197 E198 | L190-L194 HydrophobicContact CD2-CD1 4.49Å; L190-L194 HydrophobicContact CG-CD1 4.05Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.29Å; L190-L194 PolarHBondContact O-N 3.02Å; L194-K196 PolarHBondContact O-N 3.19Å; L194-E197 PolarHBondContact O-N 3.1Å; L194-E197 VanDerWaalsContact O-N 3.16Å; L194-E198 PolarHBondContact O-N 3.29Å |
| 195 | S | 78.8 | Confident | 79.1 | Confident | 63 Ų | 63 | 123.1 Ų | 123.1 | 44% | 0.441 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62 | -30.1 | 175.9 | -175.1 | 0 | 0 | 0 | 0 | 112.8 | K191 | K191-S195 VanDerWaalsContact O-CB 3.29Å; K191-S195 WeakPolarHBondContact O-CB 3.39Å; K191-S195 PolarHBondContact O-N 3.06Å |
| 196 | K | 74.3 | Confident | 78.5 | Confident | 162 Ų | 162 | 121.5 Ų | 121.5 | 70% | 0.704 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.5 | -24.1 | 178.5 | -166.8 | 173.3 | -178.1 | 176.7 | 0 | 112.6 | Q192 T193 L194 | Q192-K196 WeakPolarHBondContact O-CB 3.44Å; Q192-K196 PolarHBondContact O-N 3.16Å; T193-K196 PolarHBondContact O-N 3.28Å; L194-K196 PolarHBondContact O-N 3.19Å |
| 197 | E | 70.9 | Confident | 77.8 | Confident | 141 Ų | 141 | 127.1 Ų | 127.1 | 66% | 0.659 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82 | -31.7 | 177 | -150.6 | 169.4 | -159.5 | 0 | 0 | 111.5 | T193 L194 E199 S200 | T193-E197 PolarHBondContact O-N 3.25Å; T193-E197 VanDerWaalsContact O-N 3.1Å; L194-E197 PolarHBondContact O-N 3.1Å; L194-E197 VanDerWaalsContact O-N 3.16Å; E197-E199 VanDerWaalsContact C-N 3.3Å; E197-E199 PolarHBondContact O-N 3.48Å; E197-S200 PolarHBondContact O-N 3.49Å |
| 198 | E | 64.4 | Low | 77.1 | Confident | 173 Ų | 173 | 122.7 Ų | 122.7 | 81% | 0.808 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -19.1 | 172.3 | -75.3 | -179.6 | 161.5 | 0 | 0 | 113.9 | L194 | L194-E198 PolarHBondContact O-N 3.29Š|
| 199 | E | 57.3 | Low | 76.2 | Confident | 169 Ų | 169 | 126.8 Ų | 126.8 | 79% | 0.79 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -4.8 | 176.6 | -77.3 | -178.6 | 163.2 | 0 | 0 | 113.9 | E197 | E197-E199 VanDerWaalsContact C-N 3.3Å; E197-E199 PolarHBondContact O-N 3.48Å |
| 200 | S | 51.1 | Low | 75.1 | Confident | 158 Ų | 158 | 125.6 Ų | 125.6 | 100% | 1.105 | 64% | 0.642 | S | S | * | * | trans | -101.2 | 0 | 178.5 | 179.2 | 0 | 0 | 0 | 0 | 112.9 | E197 | E197-S200 PolarHBondContact O-N 3.49Š|
Retrieved 200 of 200 residues in 940.8 ms
(Link to these results)