| 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 | 52.6 | Low | 57.3 | Low | 232 Ų | 232 | 176.3 Ų | 176.3 | 100% | 1.143 | 89% | 0.889 | S | S | * | * | 0 | 127.7 | 0 | -67.2 | 152.2 | 71 | 0 | 0 | 106.9 | |||||
| 2 | F | 49.2 | Very low | 56 | Low | 214 Ų | 214 | 176.2 Ų | 176.2 | 94% | 0.939 | 88% | 0.883 | S | S | * | * | trans | -91.7 | 119.8 | -174.2 | -67.9 | -77 | 0 | 0 | 0 | 111.5 | K4 | F2-K4 PolarHBondContact O-N 3.45Š| ||
| 3 | C | 52.1 | Low | 55.4 | Low | 131 Ų | 131 | 174.5 Ų | 174.5 | 89% | 0.885 | 88% | 0.878 | S | S | * | * | trans | -69.6 | 121.8 | 175.6 | -59.6 | 0 | 0 | 0 | 0 | 110 | G5 | C3-G5 PolarHBondContact O-N 3.38Š| ||
| 4 | K | 63.8 | Low | 54.8 | Low | 211 Ų | 211 | 175.2 Ų | 175.2 | 92% | 0.917 | 88% | 0.877 | S | S | * | * | trans | -74.8 | 111.2 | 176.2 | -78.1 | 174.9 | 172.7 | 174.8 | 0 | 109.8 | F2 | F2-K4 PolarHBondContact O-N 3.45Š| ||
| 5 | G | 65.3 | Low | 53.9 | Low | 72 Ų | 72 | 174.1 Ų | 174.1 | 74% | 0.742 | 87% | 0.868 | S | S | * | * | trans | -69.8 | 129.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C3 K7 | C3-G5 PolarHBondContact O-N 3.38Å; G5-K7 PolarHBondContact O-N 2.93Å | ||
| 6 | A | 55.1 | Low | 53.5 | Low | 102 Ų | 102 | 168.5 Ų | 168.5 | 84% | 0.843 | 87% | 0.869 | S | S | * | * | trans | -74.3 | 107.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R8 | A6-R8 PolarHBondContact O-N 3Å; A6-R8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | K | 68.3 | Low | 52.8 | Low | 204 Ų | 204 | 166.8 Ų | 166.8 | 89% | 0.887 | 86% | 0.861 | S | S | * | * | trans | -73.5 | 98.3 | 170.7 | -75.1 | -84.3 | -172.4 | 171.5 | 0 | 109.3 | G5 K9 | G5-K7 PolarHBondContact O-N 2.93Å; K7-K9 PolarHBondContact O-N 3.28Å | ||
| 8 | R | 71.3 | Confident | 52.3 | Low | 234 Ų | 234 | 167.9 Ų | 167.9 | 88% | 0.883 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 130.2 | 161.4 | -67.1 | -171.4 | -70.7 | 131 | -4.9 | 108.2 | A6 | A6-R8 PolarHBondContact O-N 3Å; A6-R8 VanDerWaalsContact O-N 3.15Å |
| 9 | K | 59.6 | Low | 51.8 | Low | 205 Ų | 205 | 162.3 Ų | 162.3 | 89% | 0.891 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 141 | 162.4 | -91 | -166.8 | 167.8 | -163.8 | 0 | 108.3 | K7 | K7-K9 PolarHBondContact O-N 3.28Š|
| 10 | L | 46.6 | Very low | 51.1 | Low | 155 Ų | 155 | 163.9 Ų | 163.9 | 81% | 0.812 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 132.2 | 151.8 | -177.7 | 65 | 0 | 0 | 0 | 106.1 | ||
| 11 | E | 46.6 | Very low | 50.8 | Low | 179 Ų | 179 | 160.9 Ų | 160.9 | 84% | 0.836 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -86 | 135.6 | 159.5 | 58.3 | -159.5 | -131.4 | 0 | 0 | 108.2 | ||
| 12 | E | 41.8 | Very low | 50.1 | Low | 175 Ų | 175 | 158.1 Ų | 158.1 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -113.6 | 89.5 | -172.2 | -170.6 | 166.5 | -168.3 | 0 | 0 | 106.3 | E14 | E12-E14 PolarHBondContact O-N 3.42Š| ||
| 13 | D | 47.9 | Very low | 49.8 | Very low | 154 Ų | 154 | 156.1 Ų | 156.1 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | -85.8 | 88.9 | -175.4 | -167 | 48.4 | 0 | 0 | 0 | 109.8 | E15 | D13-E15 PolarHBondContact O-N 3.3Š| ||
| 14 | E | 46.8 | Very low | 49.3 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -82.3 | 97.4 | 166.6 | -83.1 | -150.9 | 115.5 | 0 | 0 | 110.6 | E12 | E12-E14 PolarHBondContact O-N 3.42Š| ||
| 15 | E | 42 | Very low | 48.2 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | -139.4 | 106.3 | 144.7 | -151.4 | 174.7 | -176.1 | 0 | 0 | 112.3 | D13 L17 | D13-E15 PolarHBondContact O-N 3.3Å; E15-L17 HydrophobicContact CB-CD2 4.05Å; E15-L17 HydrophobicContact CG-CD2 3.76Å | ||
| 16 | G | 46.3 | Very low | 47.3 | Very low | 85 Ų | 85 | 152.1 Ų | 152.1 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -88.1 | 109.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 17 | L | 42.3 | Very low | 46.7 | Very low | 140 Ų | 140 | 152 Ų | 152 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | trans | -118.9 | 98.8 | 171.4 | 41.6 | 153.3 | 0 | 0 | 0 | 111.8 | E15 | E15-L17 HydrophobicContact CB-CD2 4.05Å; E15-L17 HydrophobicContact CG-CD2 3.76Å | ||
| 18 | E | 43.9 | Very low | 45.4 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -65.1 | 137.9 | 174.2 | -174.3 | -174.9 | 177.5 | 0 | 0 | 112.5 | ||||
| 19 | G | 42.4 | Very low | 44.1 | Very low | 62 Ų | 62 | 138.2 Ų | 138.2 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | 45.4 | 105.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 20 | K | 37.8 | Very low | 43.4 | Very low | 194 Ų | 194 | 131.5 Ų | 131.5 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | -172.8 | 137.1 | 127.4 | 47.9 | -136.8 | 161.7 | -126.1 | 0 | 111.7 | |||||
| 21 | A | 44.8 | Very low | 43.7 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -79.2 | 141 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 22 | L | 39.2 | Very low | 43.8 | Very low | 173 Ų | 173 | 123.7 Ų | 123.7 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -150.3 | 145.7 | 156.9 | -116.8 | 170.4 | 0 | 0 | 0 | 110 | ||||
| 23 | E | 42.4 | Very low | 44.4 | Very low | 172 Ų | 172 | 120.2 Ų | 120.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -78.7 | 165.8 | -177.3 | -104 | -70.4 | 165.5 | 0 | 0 | 113 | ||||
| 24 | A | 41.4 | Very low | 44.8 | Very low | 89 Ų | 89 | 115.5 Ų | 115.5 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | 64.3 | 157.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 25 | S | 40.3 | Very low | 45.3 | Very low | 106 Ų | 106 | 112.3 Ų | 112.3 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | cis | -172.2 | 157.7 | -29.5 | -173.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 26 | V | 46.5 | Very low | 46.5 | Very low | 135 Ų | 135 | 111.1 Ų | 111.1 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | 72.6 | 149.2 | 159.7 | 157.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 27 | A | 42.6 | Very low | 47.8 | Very low | 99 Ų | 99 | 108.8 Ų | 108.8 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 69.3 | 89.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 28 | G | 41.6 | Very low | 49.4 | Very low | 81 Ų | 81 | 107.3 Ų | 107.3 | 84% | 0.835 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 141.2 | -34.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G30 | G28-G30 VanDerWaalsContact C-N 3.3Å; G28-G30 PolarHBondContact O-N 2.92Å |
| 29 | A | 43.9 | Very low | 51.3 | Low | 68 Ų | 68 | 101.7 Ų | 101.7 | 56% | 0.562 | 67% | 0.674 | S | S | * | * | trans | -84.5 | 26.5 | -162 | 0 | 0 | 0 | 0 | 0 | 116.7 | V31 V33 | A29-V31 VanDerWaalsContact C-N 3.33Å; A29-V31 PolarHBondContact O-N 3.19Å; A29-V33 HydrophobicContact CB-CG2 3.95Å; A29-V33 PolarHBondContact O-N 3.04Å | ||
| 30 | G | 45.1 | Very low | 53.4 | Low | 64 Ų | 64 | 103 Ų | 103 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -25.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | G28 | G28-G30 VanDerWaalsContact C-N 3.3Å; G28-G30 PolarHBondContact O-N 2.92Å |
| 31 | V | 51.7 | Low | 55.8 | Low | 121 Ų | 121 | 98 Ų | 98 | 73% | 0.733 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -45.2 | -177.5 | -176.9 | 0 | 0 | 0 | 0 | 112 | A29 V33 A34 L35 | A29-V31 VanDerWaalsContact C-N 3.33Å; A29-V31 PolarHBondContact O-N 3.19Å; V31-V33 PolarHBondContact O-N 3.28Å; V31-A34 PolarHBondContact O-N 3.46Å; V31-L35 WeakPolarHBondContact O-CB 3.31Å; V31-L35 PolarHBondContact O-N 3.22Å |
| 32 | G | 49.8 | Very low | 58 | Low | 50 Ų | 50 | 96.6 Ų | 96.6 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.2 | -46.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A34 L35 E36 | G32-A34 VanDerWaalsContact C-N 3.31Å; G32-A34 PolarHBondContact O-N 3.49Å; G32-L35 PolarHBondContact O-N 3.08Å; G32-E36 WeakPolarHBondContact O-CB 3.27Å; G32-E36 PolarHBondContact O-N 3.19Å |
| 33 | V | 52.6 | Low | 60.6 | Low | 102 Ų | 102 | 93 Ų | 93 | 62% | 0.618 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.5 | -31.7 | 179.1 | -179 | 0 | 0 | 0 | 0 | 111.6 | A29 V31 G37 | A29-V33 HydrophobicContact CB-CG2 3.95Å; A29-V33 PolarHBondContact O-N 3.04Å; V31-V33 PolarHBondContact O-N 3.28Å; V33-G37 PolarHBondContact O-N 3.43Å |
| 34 | A | 56.5 | Low | 63.1 | Low | 54 Ų | 54 | 86.6 Ų | 86.6 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.3 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | V31 G32 G37 L38 | V31-A34 PolarHBondContact O-N 3.46Å; G32-A34 VanDerWaalsContact C-N 3.31Å; G32-A34 PolarHBondContact O-N 3.49Å; A34-G37 PolarHBondContact O-N 3.46Å; A34-L38 WeakPolarHBondContact O-CB 3.08Å; A34-L38 PolarHBondContact O-N 3.1Å |
| 35 | L | 58.8 | Low | 65.6 | Low | 118 Ų | 118 | 88 Ų | 88 | 62% | 0.618 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.7 | -44 | 176.4 | -174.4 | 64.4 | 0 | 0 | 0 | 111.7 | V31 G32 G37 L38 S39 | V31-L35 WeakPolarHBondContact O-CB 3.31Å; V31-L35 PolarHBondContact O-N 3.22Å; G32-L35 PolarHBondContact O-N 3.08Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 2.94Å; L35-L38 PolarHBondContact O-N 2.89Å; L35-S39 VanDerWaalsContact O-CB 3.31Å; L35-S39 WeakPolarHBondContact O-CB 3.34Å; L35-S39 PolarHBondContact O-N 3.09Å |
| 36 | E | 65.9 | Low | 68.2 | Low | 134 Ų | 134 | 88.3 Ų | 88.3 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.2 | -40.3 | 175 | -165.5 | 62.5 | -155.3 | 0 | 0 | 111.2 | G32 S39 K40 | G32-E36 WeakPolarHBondContact O-CB 3.27Å; G32-E36 PolarHBondContact O-N 3.19Å; E36-S39 PolarHBondContact O-N 2.91Å; E36-K40 VanDerWaalsContact O-CB 3.29Å; E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 PolarHBondContact O-N 2.83Å |
| 37 | G | 74.8 | Confident | 70.5 | Confident | 35 Ų | 35 | 82.2 Ų | 82.2 | 36% | 0.361 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V33 A34 L35 K40 V41 | V33-G37 PolarHBondContact O-N 3.43Å; A34-G37 PolarHBondContact O-N 3.46Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 2.94Å; G37-K40 PolarHBondContact O-N 2.94Å; G37-V41 WeakPolarHBondContact O-CG2 3.24Å; G37-V41 PolarHBondContact O-N 3.18Å |
| 38 | L | 75.4 | Confident | 73.1 | Confident | 110 Ų | 110 | 80.7 Ų | 80.7 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.1 | -41.8 | 175.4 | -92.3 | 164.8 | 0 | 0 | 0 | 112.6 | A34 L35 K40 V41 S42 | A34-L38 WeakPolarHBondContact O-CB 3.08Å; A34-L38 PolarHBondContact O-N 3.1Å; L35-L38 PolarHBondContact O-N 2.89Å; L38-K40 VanDerWaalsContact C-N 3.34Å; L38-V41 PolarHBondContact O-N 2.65Å; L38-S42 WeakPolarHBondContact O-CB 3.29Å; L38-S42 PolarHBondContact O-N 2.99Å; L38-S42 PolarHBondContact O-OG 3.31Å |
| 39 | S | 83.6 | Confident | 75.6 | Confident | 67 Ų | 67 | 80 Ų | 80 | 47% | 0.469 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.1 | -49.1 | 172.7 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | L35 E36 V41 S42 Y43 | L35-S39 VanDerWaalsContact O-CB 3.31Å; L35-S39 WeakPolarHBondContact O-CB 3.34Å; L35-S39 PolarHBondContact O-N 3.09Å; E36-S39 PolarHBondContact O-N 2.91Å; S39-V41 PolarHBondContact O-N 3.24Å; S39-S42 WeakPolarHBondContact O-CB 3.36Å; S39-S42 PolarHBondContact O-N 2.87Å; S39-Y43 WeakPolarHBondContact O-CB 3.03Å; S39-Y43 PolarHBondContact O-N 2.92Å |
| 40 | K | 87.6 | Confident | 78.1 | Confident | 91 Ų | 91 | 80.4 Ų | 80.4 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 176 | -174.2 | 166.6 | 179.6 | 168.5 | 0 | 112.7 | E36 G37 L38 S42 Y43 T44 E89 | E36-K40 VanDerWaalsContact O-CB 3.29Å; E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 PolarHBondContact O-N 2.83Å; G37-K40 PolarHBondContact O-N 2.94Å; L38-K40 VanDerWaalsContact C-N 3.34Å; K40-S42 VanDerWaalsContact C-N 3.33Å; K40-S42 PolarHBondContact O-N 2.92Å; K40-Y43 CarbonylContact O-C 3.58Å; K40-Y43 WeakPolarHBondContact O-CB 3.31Å; K40-Y43 PolarHBondContact O-N 2.82Å; K40-T44 HydrophobicContact CG-CG2 4.41Å; K40-T44 WeakPolarHBondContact O-CG2 3.47Å; K40-T44 PolarHBondContact O-N 3.29Å; K40-E89 VanDerWaalsContact CE-OE1 3.31Å; K40-E89 WeakPolarHBondContact CE-OE1 3.38Å |
| 41 | V | 86.8 | Confident | 80.5 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 176.4 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | G37 L38 S39 T44 L45 | G37-V41 WeakPolarHBondContact O-CG2 3.24Å; G37-V41 PolarHBondContact O-N 3.18Å; L38-V41 PolarHBondContact O-N 2.65Å; S39-V41 PolarHBondContact O-N 3.24Å; V41-T44 PolarHBondContact O-N 3.25Å; V41-T44 PolarHBondContact O-OG1 3.48Å; V41-L45 PolarHBondContact O-N 3.44Å; V41-L45 VanDerWaalsContact O-N 3.08Å |
| 42 | S | 91 | Very high | 82.6 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 174 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | L38 S39 K40 L45 Q46 | L38-S42 WeakPolarHBondContact O-CB 3.29Å; L38-S42 PolarHBondContact O-N 2.99Å; L38-S42 PolarHBondContact O-OG 3.31Å; S39-S42 WeakPolarHBondContact O-CB 3.36Å; S39-S42 PolarHBondContact O-N 2.87Å; K40-S42 VanDerWaalsContact C-N 3.33Å; K40-S42 PolarHBondContact O-N 2.92Å; S42-L45 PolarHBondContact O-N 2.89Å; S42-Q46 VanDerWaalsContact O-CB 3.28Å; S42-Q46 WeakPolarHBondContact O-CB 3.49Å; S42-Q46 PolarHBondContact O-N 3.49Å |
| 43 | Y | 94.1 | Very high | 84.8 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 38% | 0.384 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 173.9 | -177.8 | -116.9 | 0 | 0 | 0 | 112.9 | S39 K40 Q46 R47 | S39-Y43 WeakPolarHBondContact O-CB 3.03Å; S39-Y43 PolarHBondContact O-N 2.92Å; K40-Y43 CarbonylContact O-C 3.58Å; K40-Y43 WeakPolarHBondContact O-CB 3.31Å; K40-Y43 PolarHBondContact O-N 2.82Å; Y43-Q46 PolarHBondContact O-N 2.65Å; Y43-R47 VanDerWaalsContact CD1-NH1 3.29Å; Y43-R47 WeakPolarHBondContact O-CG 3.41Å; Y43-R47 PolarHBondContact O-N 3.14Å |
| 44 | T | 94 | Very high | 86.7 | Confident | 38 Ų | 38 | 75.6 Ų | 75.6 | 23% | 0.233 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.8 | 76.2 | 0 | 0 | 0 | 0 | 111.1 | K40 V41 R47 Q48 E89 | K40-T44 HydrophobicContact CG-CG2 4.41Å; K40-T44 WeakPolarHBondContact O-CG2 3.47Å; K40-T44 PolarHBondContact O-N 3.29Å; V41-T44 PolarHBondContact O-N 3.25Å; V41-T44 PolarHBondContact O-OG1 3.48Å; T44-R47 WeakPolarHBondContact O-CG 3.45Å; T44-Q48 VanDerWaalsContact O-CB 3.24Å; T44-Q48 WeakPolarHBondContact O-CB 3.29Å; T44-Q48 PolarHBondContact O-N 2.81Å; T44-E89 WeakPolarHBondContact CG2-OE1 3.37Å |
| 45 | L | 94.1 | Very high | 88.4 | Confident | 118 Ų | 118 | 75.5 Ų | 75.5 | 62% | 0.618 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.1 | -41 | 176.7 | -175.3 | 60.8 | 0 | 0 | 0 | 111.8 | V41 S42 T49 | V41-L45 PolarHBondContact O-N 3.44Å; V41-L45 VanDerWaalsContact O-N 3.08Å; S42-L45 PolarHBondContact O-N 2.89Å; L45-T49 VanDerWaalsContact O-CB 3.31Å; L45-T49 WeakPolarHBondContact O-CB 3.32Å; L45-T49 PolarHBondContact O-N 2.89Å; L45-T49 PolarHBondContact O-OG1 2.9Å |
| 46 | Q | 95.8 | Very high | 89.9 | Confident | 113 Ų | 113 | 75.7 Ų | 75.7 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61 | -52.6 | 176.5 | -172.1 | -172.6 | 33 | 0 | 0 | 111.4 | S42 Y43 Q48 T49 I50 | S42-Q46 VanDerWaalsContact O-CB 3.28Å; S42-Q46 WeakPolarHBondContact O-CB 3.49Å; S42-Q46 PolarHBondContact O-N 3.49Å; Y43-Q46 PolarHBondContact O-N 2.65Å; Q46-Q48 PolarHBondContact O-N 3.47Å; Q46-T49 WeakPolarHBondContact O-CB 3.42Å; Q46-T49 PolarHBondContact O-N 3.47Å; Q46-I50 HydrophobicContact CG-CD1 4.02Å; Q46-I50 WeakPolarHBondContact O-CG1 3.3Å; Q46-I50 PolarHBondContact O-N 3.3Å |
| 47 | R | 94.9 | Very high | 91 | Very high | 7 Ų | 7 | 77.6 Ų | 77.6 | 3% | 0.026 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.3 | -34.8 | -178.8 | 77.5 | 179.9 | 178.5 | -103.2 | -12.2 | 112.3 | Y43 T44 T49 I50 F51 I82 E85 L86 E89 | Y43-R47 VanDerWaalsContact CD1-NH1 3.29Å; Y43-R47 WeakPolarHBondContact O-CG 3.41Å; Y43-R47 PolarHBondContact O-N 3.14Å; T44-R47 WeakPolarHBondContact O-CG 3.45Å; R47-T49 VanDerWaalsContact C-N 3.31Å; R47-T49 PolarHBondContact O-N 2.89Å; R47-I50 PolarHBondContact O-N 3.49Å; R47-F51 VanDerWaalsContact O-CB 3.26Å; R47-F51 WeakPolarHBondContact O-CB 3.42Å; R47-F51 PolarHBondContact O-N 3.44Å; R47-I82 HydrophobicContact CB-CG2 3.84Å; R47-I82 HydrophobicContact CG-CG2 3.95Å; R47-E85 VanDerWaalsContact CD-OE2 3.29Å; R47-E85 WeakPolarHBondContact CD-OE2 3.34Å; R47-L86 HydrophobicContact CG-CD2 4.16Å; R47-L86 HydrophobicContact CG-CG 4.31Å; R47-E89 VanDerWaalsContact CZ-CD 3.42Å; R47-E89 IonicContact CZ-OE1 2.88Å; R47-E89 VanDerWaalsContact CZ-OE1 3.29Å; R47-E89 IonicContact CZ-OE2 2.88Å; R47-E89 IonicContact NE-OE2 3.21Å; R47-E89 VanDerWaalsContact NH1-CD 3.27Å; R47-E89 IonicContact NH1-OE1 2.69Å; R47-E89 PolarHBondContact NH1-OE1 2.76Å; R47-E89 IonicContact NH1-OE2 3.86Å; R47-E89 PolarHBondContact NH1-OE2 2.88Å; R47-E89 IonicContact NH2-OE1 2.8Å; R47-E89 PolarHBondContact NH2-OE1 2.98Å; R47-E89 IonicContact NH2-OE2 2.76Å; R47-E89 PolarHBondContact NH2-OE2 2.8Å |
| 48 | Q | 96 | Very high | 91.5 | Very high | 67 Ų | 67 | 77.8 Ų | 77.8 | 31% | 0.313 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 172.3 | -177.7 | 62.2 | 79.6 | 0 | 0 | 111.8 | T44 Q46 N52 L86 | T44-Q48 VanDerWaalsContact O-CB 3.24Å; T44-Q48 WeakPolarHBondContact O-CB 3.29Å; T44-Q48 PolarHBondContact O-N 2.81Å; Q46-Q48 PolarHBondContact O-N 3.47Å; Q48-N52 PolarHBondContact NE2-OD1 2.9Å; Q48-N52 WeakPolarHBondContact O-CB 3.19Å; Q48-N52 PolarHBondContact O-N 3.44Å; Q48-N52 PolarHBondContact O-ND2 3.14Å; Q48-N52 PolarHBondContact O-OD1 2.86Å; Q48-L86 HydrophobicContact CB-CD2 4.2Å |
| 49 | T | 95.7 | Very high | 91.7 | Very high | 65 Ų | 65 | 79.6 Ų | 79.6 | 40% | 0.399 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.9 | -46.8 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | L45 Q46 R47 F51 N52 I53 | L45-T49 VanDerWaalsContact O-CB 3.31Å; L45-T49 WeakPolarHBondContact O-CB 3.32Å; L45-T49 PolarHBondContact O-N 2.89Å; L45-T49 PolarHBondContact O-OG1 2.9Å; Q46-T49 WeakPolarHBondContact O-CB 3.42Å; Q46-T49 PolarHBondContact O-N 3.47Å; R47-T49 VanDerWaalsContact C-N 3.31Å; R47-T49 PolarHBondContact O-N 2.89Å; T49-F51 PolarHBondContact O-N 3.44Å; T49-N52 PolarHBondContact O-N 3.34Å; T49-I53 HydrophobicContact CG2-CD1 3.78Å; T49-I53 WeakPolarHBondContact O-CB 3.33Å; T49-I53 VanDerWaalsContact O-CG1 3.3Å; T49-I53 WeakPolarHBondContact O-CG1 3.14Å; T49-I53 PolarHBondContact O-N 2.95Å |
| 50 | I | 96.1 | Very high | 91.6 | Very high | 78 Ų | 78 | 79.6 Ų | 79.6 | 40% | 0.4 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 175 | -68.1 | 166 | 0 | 0 | 0 | 110.7 | Q46 R47 N52 I53 S54 I82 | Q46-I50 HydrophobicContact CG-CD1 4.02Å; Q46-I50 WeakPolarHBondContact O-CG1 3.3Å; Q46-I50 PolarHBondContact O-N 3.3Å; R47-I50 PolarHBondContact O-N 3.49Å; I50-N52 PolarHBondContact O-N 3.49Å; I50-I53 PolarHBondContact O-N 2.83Å; I50-S54 WeakPolarHBondContact O-CB 3.33Å; I50-S54 PolarHBondContact O-N 3.03Å; I50-S54 PolarHBondContact O-OG 3.24Å; I50-S54 VanDerWaalsContact O-OG 3.11Å; I50-I82 HydrophobicContact CG2-CD1 4.17Å |
| 51 | F | 96.2 | Very high | 90.3 | Very high | 29 Ų | 29 | 83.3 Ų | 83.3 | 13% | 0.127 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 176.8 | -177.7 | -96 | 0 | 0 | 0 | 111.8 | R47 T49 S54 L55 L79 I82 Q83 L86 | R47-F51 VanDerWaalsContact O-CB 3.26Å; R47-F51 WeakPolarHBondContact O-CB 3.42Å; R47-F51 PolarHBondContact O-N 3.44Å; T49-F51 PolarHBondContact O-N 3.44Å; F51-S54 PolarHBondContact O-N 2.89Å; F51-L55 HydrophobicContact CD1-CD1 3.85Å; F51-L55 HydrophobicContact CD1-CG 4.45Å; F51-L55 HydrophobicContact CE1-CD1 3.35Å; F51-L55 HydrophobicContact CE1-CG 4.22Å; F51-L55 HydrophobicContact CZ-CD1 3.76Å; F51-L55 HydrophobicContact CZ-CG 4.37Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.49Å; F51-L79 HydrophobicContact CB-CD2 4.48Å; F51-L79 HydrophobicContact CD2-CB 4.42Å; F51-L79 HydrophobicContact CD2-CD2 3.41Å; F51-L79 VanDerWaalsContact CD2-CD2 3.41Å; F51-L79 HydrophobicContact CE2-CB 4.25Å; F51-L79 HydrophobicContact CE2-CD2 3.78Å; F51-L79 WeakPolarHBondContact CE2-O 3.21Å; F51-L79 HydrophobicContact CG-CD2 4.04Å; F51-I82 HydrophobicContact CB-CG2 3.88Å; F51-I82 HydrophobicContact CD2-CB 4.37Å; F51-I82 HydrophobicContact CD2-CG2 4.09Å; F51-I82 HydrophobicContact CG-CG2 4.34Å; F51-Q83 HydrophobicContact CE2-CB 3.87Å; F51-Q83 HydrophobicContact CE2-CG 4.15Å; F51-Q83 HydrophobicContact CZ-CB 4.34Å; F51-Q83 HydrophobicContact CZ-CG 4.1Å; F51-L86 HydrophobicContact CG-CD1 4.47Å |
| 52 | N | 95.2 | Very high | 89.1 | Confident | 81 Ų | 81 | 89.2 Ų | 89.2 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 179 | -70.3 | -8.3 | 0 | 0 | 0 | 112 | Q48 T49 I50 S54 L55 M56 | Q48-N52 PolarHBondContact NE2-OD1 2.9Å; Q48-N52 WeakPolarHBondContact O-CB 3.19Å; Q48-N52 PolarHBondContact O-N 3.44Å; Q48-N52 PolarHBondContact O-ND2 3.14Å; Q48-N52 PolarHBondContact O-OD1 2.86Å; T49-N52 PolarHBondContact O-N 3.34Å; I50-N52 PolarHBondContact O-N 3.49Å; N52-S54 VanDerWaalsContact C-N 3.34Å; N52-S54 PolarHBondContact O-N 3.48Å; N52-L55 PolarHBondContact O-N 2.74Å; N52-M56 WeakPolarHBondContact O-CB 3.48Å; N52-M56 WeakPolarHBondContact O-CG 3.34Å; N52-M56 PolarHBondContact O-N 3Å |
| 53 | I | 94.7 | Very high | 87.4 | Confident | 92 Ų | 92 | 91.7 Ų | 91.7 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 176.9 | -68.4 | 169.5 | 0 | 0 | 0 | 110.9 | T49 I50 M56 K57 | T49-I53 HydrophobicContact CG2-CD1 3.78Å; T49-I53 WeakPolarHBondContact O-CB 3.33Å; T49-I53 VanDerWaalsContact O-CG1 3.3Å; T49-I53 WeakPolarHBondContact O-CG1 3.14Å; T49-I53 PolarHBondContact O-N 2.95Å; I50-I53 PolarHBondContact O-N 2.83Å; I53-M56 PolarHBondContact O-N 2.88Å; I53-K57 HydrophobicContact CG2-CD 3.83Å; I53-K57 HydrophobicContact CG2-CG 4.39Å; I53-K57 WeakPolarHBondContact O-CB 3.26Å; I53-K57 VanDerWaalsContact O-CG 3.31Å; I53-K57 WeakPolarHBondContact O-CG 3.39Å; I53-K57 PolarHBondContact O-N 2.97Å |
| 54 | S | 92.5 | Very high | 85.5 | Confident | 33 Ų | 33 | 94.8 Ų | 94.8 | 23% | 0.231 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -68.5 | -38.6 | 179 | -73.6 | 0 | 0 | 0 | 0 | 112.6 | I50 F51 N52 L58 | I50-S54 WeakPolarHBondContact O-CB 3.33Å; I50-S54 PolarHBondContact O-N 3.03Å; I50-S54 PolarHBondContact O-OG 3.24Å; I50-S54 VanDerWaalsContact O-OG 3.11Å; F51-S54 PolarHBondContact O-N 2.89Å; N52-S54 VanDerWaalsContact C-N 3.34Å; N52-S54 PolarHBondContact O-N 3.48Å; S54-L58 WeakPolarHBondContact O-CB 3.5Å; S54-L58 PolarHBondContact O-N 2.88Å |
| 55 | L | 92.6 | Very high | 84.1 | Confident | 53 Ų | 53 | 95.9 Ų | 95.9 | 28% | 0.277 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.5 | -50.6 | 169.5 | -73.6 | 179.8 | 0 | 0 | 0 | 111 | F51 N52 K57 L58 Y59 L79 | F51-L55 HydrophobicContact CD1-CD1 3.85Å; F51-L55 HydrophobicContact CD1-CG 4.45Å; F51-L55 HydrophobicContact CE1-CD1 3.35Å; F51-L55 HydrophobicContact CE1-CG 4.22Å; F51-L55 HydrophobicContact CZ-CD1 3.76Å; F51-L55 HydrophobicContact CZ-CG 4.37Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.49Å; N52-L55 PolarHBondContact O-N 2.74Å; L55-K57 VanDerWaalsContact C-N 3.27Å; L55-K57 PolarHBondContact O-N 3.35Å; L55-L58 PolarHBondContact O-N 2.82Å; L55-Y59 HydrophobicContact CB-CD2 4.5Å; L55-Y59 HydrophobicContact CD2-CD2 4.07Å; L55-Y59 HydrophobicContact CD2-CE2 3.69Å; L55-Y59 WeakPolarHBondContact O-CD2 3.43Å; L55-Y59 PolarHBondContact O-N 3.39Å; L55-L79 HydrophobicContact CD2-CD1 3.95Å; L55-L79 HydrophobicContact CD2-CD2 4.25Å; L55-L79 HydrophobicContact CG-CD2 4.12Å |
| 56 | M | 90.9 | Very high | 83.2 | Confident | 122 Ų | 122 | 96.9 Ų | 96.9 | 60% | 0.601 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.7 | -40.4 | 178.6 | -73.3 | -55.4 | -59.8 | 0 | 0 | 111.8 | N52 I53 S60 | N52-M56 WeakPolarHBondContact O-CB 3.48Å; N52-M56 WeakPolarHBondContact O-CG 3.34Å; N52-M56 PolarHBondContact O-N 3Å; I53-M56 PolarHBondContact O-N 2.88Å; M56-S60 WeakPolarHBondContact O-CB 3.5Å; M56-S60 PolarHBondContact O-N 3.4Å; M56-S60 PolarHBondContact O-OG 2.84Å |
| 57 | K | 88.2 | Confident | 82.3 | Confident | 174 Ų | 174 | 93.5 Ų | 93.5 | 76% | 0.757 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -76.8 | -17.8 | 177.4 | -70.2 | 178.5 | 68.1 | 169.1 | 0 | 114.6 | I53 L55 | I53-K57 HydrophobicContact CG2-CD 3.83Å; I53-K57 HydrophobicContact CG2-CG 4.39Å; I53-K57 WeakPolarHBondContact O-CB 3.26Å; I53-K57 VanDerWaalsContact O-CG 3.31Å; I53-K57 WeakPolarHBondContact O-CG 3.39Å; I53-K57 PolarHBondContact O-N 2.97Å; L55-K57 VanDerWaalsContact C-N 3.27Å; L55-K57 PolarHBondContact O-N 3.35Å |
| 58 | L | 85.3 | Confident | 81.9 | Confident | 38 Ų | 38 | 96 Ų | 96 | 20% | 0.199 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -89.7 | -32.6 | 176.5 | -175.5 | 64.4 | 0 | 0 | 0 | 112.3 | S54 L55 R72 I75 L79 | S54-L58 WeakPolarHBondContact O-CB 3.5Å; S54-L58 PolarHBondContact O-N 2.88Å; L55-L58 PolarHBondContact O-N 2.82Å; L58-R72 HydrophobicContact CD1-CG 4.44Å; L58-I75 HydrophobicContact CD2-CG2 4.19Å; L58-L79 HydrophobicContact CD2-CD1 3.99Å |
| 59 | Y | 80.9 | Confident | 81.7 | Confident | 149 Ų | 149 | 99.1 Ų | 99.1 | 58% | 0.584 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -108.2 | -13.3 | -175.4 | -66.6 | -75.9 | 0 | 0 | 0 | 114.7 | L55 Q61 | L55-Y59 HydrophobicContact CB-CD2 4.5Å; L55-Y59 HydrophobicContact CD2-CD2 4.07Å; L55-Y59 HydrophobicContact CD2-CE2 3.69Å; L55-Y59 WeakPolarHBondContact O-CD2 3.43Å; L55-Y59 PolarHBondContact O-N 3.39Å; Y59-Q61 PolarHBondContact O-N 2.95Å |
| 60 | S | 80.3 | Confident | 81.5 | Confident | 66 Ų | 66 | 103.5 Ų | 103.5 | 46% | 0.462 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -71.3 | 101.3 | 167.2 | -61.4 | 0 | 0 | 0 | 0 | 109.7 | M56 R62 | M56-S60 WeakPolarHBondContact O-CB 3.5Å; M56-S60 PolarHBondContact O-N 3.4Å; M56-S60 PolarHBondContact O-OG 2.84Å; S60-R62 PolarHBondContact O-N 3.45Å |
| 61 | Q | 60 | Low | 81.3 | Confident | 170 Ų | 170 | 107.2 Ų | 107.2 | 79% | 0.794 | 54% | 0.542 | S | S | * | . | trans | -59.4 | 96.3 | 179.4 | -65.9 | -68.7 | -7.7 | 0 | 0 | 111.4 | Y59 | Y59-Q61 PolarHBondContact O-N 2.95Š| ||
| 62 | R | 62.2 | Low | 81 | Confident | 211 Ų | 211 | 109.4 Ų | 109.4 | 80% | 0.796 | 55% | 0.549 | S | S | * | . | trans | -115.7 | 98.6 | 171 | -167.6 | 75.9 | -173.8 | -168.3 | 4 | 108.6 | S60 L64 | S60-R62 PolarHBondContact O-N 3.45Å; R62-L64 PolarHBondContact O-N 3.3Å | ||
| 63 | P | 55.9 | Low | 81 | Confident | 123 Ų | 123 | 109 Ų | 109 | 80% | 0.799 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -65.8 | 13.4 | -170.4 | -25.6 | 36.1 | 0 | 0 | 0 | 117.9 | ||
| 64 | L | 55.1 | Low | 81 | Confident | 163 Ų | 163 | 109.5 Ų | 109.5 | 85% | 0.853 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -108.3 | 32.9 | -170.1 | -150.8 | 78.6 | 0 | 0 | 0 | 113.4 | R62 | R62-L64 PolarHBondContact O-N 3.3Š|
| 65 | G | 64.1 | Low | 81.1 | Confident | 62 Ų | 62 | 109.7 Ų | 109.7 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | trans | 144.9 | 79.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 66 | E | 74.1 | Confident | 81.2 | Confident | 139 Ų | 139 | 110.1 Ų | 110.1 | 65% | 0.65 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 135.3 | 167.9 | -77.9 | -146.7 | 125 | 0 | 0 | 110.6 | R72 | E66-R72 IonicContact OE1-CZ 3.08Å; E66-R72 IonicContact OE1-NH1 2.95Å; E66-R72 PolarHBondContact OE1-NH1 2.99Å; E66-R72 IonicContact OE2-CZ 3Å; E66-R72 IonicContact OE2-NH1 3.98Å; E66-R72 PolarHBondContact OE2-NH1 3.39Å; E66-R72 IonicContact OE2-NH2 2.65Å; E66-R72 PolarHBondContact OE2-NH2 3.48Å |
| 67 | P | 76.7 | Confident | 81.5 | Confident | 41 Ų | 41 | 108 Ų | 108 | 27% | 0.266 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 141.9 | 170.7 | 20.6 | -29.4 | 0 | 0 | 0 | 111.4 | R71 R72 | P67-R71 HydrophobicContact CB-CB 4.02Å; P67-R71 HydrophobicContact CB-CG 3.76Å; P67-R72 HydrophobicContact CB-CG 4.03Å; P67-R72 HydrophobicContact CG-CG 3.62Å; P67-R72 PolarHBondContact O-NE 2.92Å; P67-R72 PolarHBondContact O-NH2 3.08Å |
| 68 | S | 87.8 | Confident | 81.9 | Confident | 61 Ų | 61 | 104 Ų | 104 | 43% | 0.427 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 156.1 | 173.6 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | E70 R71 R72 | S68-E70 PolarHBondContact O-N 2.93Å; S68-R71 PolarHBondContact O-N 3.49Å; S68-R71 WeakPolarHBondContact OG-CB 3.28Å; S68-R71 PolarHBondContact OG-N 3.41Å; S68-R72 PolarHBondContact O-N 2.87Å |
| 69 | L | 91 | Very high | 82.4 | Confident | 132 Ų | 132 | 102.9 Ų | 102.9 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -55.1 | -43.7 | -179.9 | -179.9 | 61 | 0 | 0 | 0 | 111.5 | R72 V73 | L69-R72 WeakPolarHBondContact O-CB 3.24Å; L69-R72 PolarHBondContact O-N 2.89Å; L69-V73 HydrophobicContact CD1-CG2 4.33Å; L69-V73 WeakPolarHBondContact O-CG2 3.44Å; L69-V73 PolarHBondContact O-N 3.38Å |
| 70 | E | 92.1 | Very high | 83.1 | Confident | 157 Ų | 157 | 102.5 Ų | 102.5 | 73% | 0.734 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -53.3 | -53.1 | 171.1 | -177.5 | -164 | 177.8 | 0 | 0 | 112.2 | S68 R72 V73 L74 | S68-E70 PolarHBondContact O-N 2.93Å; E70-R72 VanDerWaalsContact C-N 3.29Å; E70-R72 PolarHBondContact O-N 2.94Å; E70-V73 PolarHBondContact O-N 2.89Å; E70-L74 WeakPolarHBondContact O-CB 3.38Å; E70-L74 PolarHBondContact O-N 3.24Å |
| 71 | R | 90.8 | Very high | 83.9 | Confident | 156 Ų | 156 | 107 Ų | 107 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -36.9 | 178.7 | -177.4 | 177.9 | -72.4 | -95.7 | 4.4 | 111.7 | P67 S68 I75 | P67-R71 HydrophobicContact CB-CB 4.02Å; P67-R71 HydrophobicContact CB-CG 3.76Å; S68-R71 PolarHBondContact O-N 3.49Å; S68-R71 WeakPolarHBondContact OG-CB 3.28Å; S68-R71 PolarHBondContact OG-N 3.41Å; R71-I75 HydrophobicContact CG-CD1 3.93Å; R71-I75 WeakPolarHBondContact O-CB 3.34Å; R71-I75 WeakPolarHBondContact O-CD1 3.36Å; R71-I75 WeakPolarHBondContact O-CG1 3.26Å; R71-I75 PolarHBondContact O-N 3.15Å |
| 72 | R | 91.3 | Very high | 85.5 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 28% | 0.283 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 173.2 | -77.9 | -174.5 | -97.6 | -152.2 | -8.9 | 112.2 | L58 E66 P67 S68 L69 E70 I75 N76 | L58-R72 HydrophobicContact CD1-CG 4.44Å; E66-R72 IonicContact OE1-CZ 3.08Å; E66-R72 IonicContact OE1-NH1 2.95Å; E66-R72 PolarHBondContact OE1-NH1 2.99Å; E66-R72 IonicContact OE2-CZ 3Å; E66-R72 IonicContact OE2-NH1 3.98Å; E66-R72 PolarHBondContact OE2-NH1 3.39Å; E66-R72 IonicContact OE2-NH2 2.65Å; E66-R72 PolarHBondContact OE2-NH2 3.48Å; P67-R72 HydrophobicContact CB-CG 4.03Å; P67-R72 HydrophobicContact CG-CG 3.62Å; P67-R72 PolarHBondContact O-NE 2.92Å; P67-R72 PolarHBondContact O-NH2 3.08Å; S68-R72 PolarHBondContact O-N 2.87Å; L69-R72 WeakPolarHBondContact O-CB 3.24Å; L69-R72 PolarHBondContact O-N 2.89Å; E70-R72 VanDerWaalsContact C-N 3.29Å; E70-R72 PolarHBondContact O-N 2.94Å; R72-I75 PolarHBondContact O-N 2.83Å; R72-N76 WeakPolarHBondContact O-CB 3.45Å; R72-N76 PolarHBondContact O-N 3.38Å; R72-N76 PolarHBondContact O-ND2 3.47Å |
| 73 | V | 94.6 | Very high | 87.1 | Confident | 72 Ų | 72 | 94.1 Ų | 94.1 | 44% | 0.436 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.3 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | L69 E70 N76 N77 | L69-V73 HydrophobicContact CD1-CG2 4.33Å; L69-V73 WeakPolarHBondContact O-CG2 3.44Å; L69-V73 PolarHBondContact O-N 3.38Å; E70-V73 PolarHBondContact O-N 2.89Å; V73-N76 PolarHBondContact O-N 2.96Å; V73-N77 WeakPolarHBondContact O-CB 3.4Å; V73-N77 PolarHBondContact O-N 3.37Å |
| 74 | L | 95.5 | Very high | 89 | Confident | 102 Ų | 102 | 91.1 Ų | 91.1 | 53% | 0.534 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 175.6 | -178.6 | 61.6 | 0 | 0 | 0 | 111.7 | E70 N76 N77 M78 | E70-L74 WeakPolarHBondContact O-CB 3.38Å; E70-L74 PolarHBondContact O-N 3.24Å; L74-N76 PolarHBondContact O-N 3.31Å; L74-N77 PolarHBondContact O-N 3.17Å; L74-M78 HydrophobicContact CD1-CG 4.42Å; L74-M78 HydrophobicContact CG-CE 4.21Å; L74-M78 WeakPolarHBondContact O-CG 3.31Å; L74-M78 PolarHBondContact O-N 2.9Å |
| 75 | I | 93.6 | Very high | 90.8 | Very high | 38 Ų | 38 | 84.5 Ų | 84.5 | 20% | 0.195 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 176.4 | -70.7 | 166.6 | 0 | 0 | 0 | 110.8 | L58 R71 R72 N77 M78 L79 | L58-I75 HydrophobicContact CD2-CG2 4.19Å; R71-I75 HydrophobicContact CG-CD1 3.93Å; R71-I75 WeakPolarHBondContact O-CB 3.34Å; R71-I75 WeakPolarHBondContact O-CD1 3.36Å; R71-I75 WeakPolarHBondContact O-CG1 3.26Å; R71-I75 PolarHBondContact O-N 3.15Å; R72-I75 PolarHBondContact O-N 2.83Å; I75-N77 PolarHBondContact O-N 2.86Å; I75-M78 HydrophobicContact CG1-CE 4.43Å; I75-M78 PolarHBondContact O-N 3.44Å; I75-L79 HydrophobicContact CG2-CD1 3.8Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CB 3.38Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.48Å; I75-L79 PolarHBondContact O-N 3.34Å |
| 76 | N | 94.6 | Very high | 92.1 | Very high | 62 Ų | 62 | 83.1 Ų | 83.1 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 179.3 | -84.1 | -89.5 | 0 | 0 | 0 | 112.7 | R72 V73 L74 R80 | R72-N76 WeakPolarHBondContact O-CB 3.45Å; R72-N76 PolarHBondContact O-N 3.38Å; R72-N76 PolarHBondContact O-ND2 3.47Å; V73-N76 PolarHBondContact O-N 2.96Å; L74-N76 PolarHBondContact O-N 3.31Å; N76-R80 WeakPolarHBondContact O-CB 3.43Å; N76-R80 PolarHBondContact O-N 2.85Å |
| 77 | N | 96.9 | Very high | 92.8 | Very high | 77 Ų | 77 | 81.7 Ų | 81.7 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.9 | -37.9 | 177.5 | -74.4 | -18.1 | 0 | 0 | 0 | 112.5 | V73 L74 I75 R80 R81 | V73-N77 WeakPolarHBondContact O-CB 3.4Å; V73-N77 PolarHBondContact O-N 3.37Å; L74-N77 PolarHBondContact O-N 3.17Å; I75-N77 PolarHBondContact O-N 2.86Å; N77-R80 PolarHBondContact O-N 2.82Å; N77-R80 PolarHBondContact OD1-NH2 3.01Å; N77-R81 PolarHBondContact O-N 3.11Å |
| 78 | M | 96.2 | Very high | 93.2 | Very high | 91 Ų | 91 | 85.8 Ų | 85.8 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 170.8 | -68.9 | -171.1 | -56.8 | 0 | 0 | 111.7 | L74 I75 R80 R81 I82 | L74-M78 HydrophobicContact CD1-CG 4.42Å; L74-M78 HydrophobicContact CG-CE 4.21Å; L74-M78 WeakPolarHBondContact O-CG 3.31Å; L74-M78 PolarHBondContact O-N 2.9Å; I75-M78 HydrophobicContact CG1-CE 4.43Å; I75-M78 PolarHBondContact O-N 3.44Å; M78-R80 VanDerWaalsContact C-N 3.31Å; M78-R80 PolarHBondContact O-N 3.23Å; M78-R81 PolarHBondContact O-N 2.91Å; M78-I82 WeakPolarHBondContact O-CB 3.37Å; M78-I82 WeakPolarHBondContact O-CG1 3.43Å; M78-I82 PolarHBondContact O-N 3.47Å |
| 79 | L | 96.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 84.7 Ų | 84.7 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 174.4 | -77.3 | 170.8 | 0 | 0 | 0 | 111.4 | F51 L55 L58 I75 I82 Q83 | F51-L79 HydrophobicContact CB-CD2 4.48Å; F51-L79 HydrophobicContact CD2-CB 4.42Å; F51-L79 HydrophobicContact CD2-CD2 3.41Å; F51-L79 VanDerWaalsContact CD2-CD2 3.41Å; F51-L79 HydrophobicContact CE2-CB 4.25Å; F51-L79 HydrophobicContact CE2-CD2 3.78Å; F51-L79 WeakPolarHBondContact CE2-O 3.21Å; F51-L79 HydrophobicContact CG-CD2 4.04Å; L55-L79 HydrophobicContact CD2-CD1 3.95Å; L55-L79 HydrophobicContact CD2-CD2 4.25Å; L55-L79 HydrophobicContact CG-CD2 4.12Å; L58-L79 HydrophobicContact CD2-CD1 3.99Å; I75-L79 HydrophobicContact CG2-CD1 3.8Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CB 3.38Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.48Å; I75-L79 PolarHBondContact O-N 3.34Å; L79-I82 PolarHBondContact O-N 2.72Å; L79-Q83 VanDerWaalsContact O-CB 3.3Å; L79-Q83 WeakPolarHBondContact O-CB 3.44Å; L79-Q83 PolarHBondContact O-N 2.94Å |
| 80 | R | 96.4 | Very high | 91.5 | Very high | 141 Ų | 141 | 80.4 Ų | 80.4 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.1 | -51.9 | 176.6 | -146 | -169.9 | -44.4 | -98.5 | 1.6 | 111.3 | N76 N77 M78 I82 Q83 D84 | N76-R80 WeakPolarHBondContact O-CB 3.43Å; N76-R80 PolarHBondContact O-N 2.85Å; N77-R80 PolarHBondContact O-N 2.82Å; N77-R80 PolarHBondContact OD1-NH2 3.01Å; M78-R80 VanDerWaalsContact C-N 3.31Å; M78-R80 PolarHBondContact O-N 3.23Å; R80-I82 PolarHBondContact O-N 3.46Å; R80-Q83 WeakPolarHBondContact O-CB 3.3Å; R80-Q83 PolarHBondContact O-N 3.43Å; R80-Q83 VanDerWaalsContact O-N 3.14Å; R80-D84 VanDerWaalsContact O-CG 3.27Å; R80-D84 PolarHBondContact O-N 3.39Å |
| 81 | R | 95.9 | Very high | 89.5 | Confident | 162 Ų | 162 | 77.8 Ų | 77.8 | 61% | 0.611 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.8 | -49.3 | 178.5 | -164.7 | -162.8 | -169.1 | -111.9 | 12.4 | 111.8 | N77 M78 Q83 D84 E85 | N77-R81 PolarHBondContact O-N 3.11Å; M78-R81 PolarHBondContact O-N 2.91Å; R81-Q83 VanDerWaalsContact C-N 3.32Å; R81-Q83 PolarHBondContact O-N 2.87Å; R81-D84 PolarHBondContact O-N 2.94Å; R81-D84 VanDerWaalsContact O-N 3.14Å; R81-E85 WeakPolarHBondContact CG-OE1 3.47Å; R81-E85 IonicContact CZ-OE1 3.41Å; R81-E85 IonicContact NE-OE1 3.66Å; R81-E85 IonicContact NH1-OE1 2.83Å; R81-E85 PolarHBondContact NH1-OE1 3.32Å; R81-E85 WeakPolarHBondContact O-CG 3.45Å; R81-E85 PolarHBondContact O-N 3.19Å |
| 82 | I | 95.4 | Very high | 87.5 | Confident | 24 Ų | 24 | 75.6 Ų | 75.6 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64 | -37.8 | 178 | -66.5 | 165.9 | 0 | 0 | 0 | 111.1 | R47 I50 F51 M78 L79 R80 D84 E85 L86 | R47-I82 HydrophobicContact CB-CG2 3.84Å; R47-I82 HydrophobicContact CG-CG2 3.95Å; I50-I82 HydrophobicContact CG2-CD1 4.17Å; F51-I82 HydrophobicContact CB-CG2 3.88Å; F51-I82 HydrophobicContact CD2-CB 4.37Å; F51-I82 HydrophobicContact CD2-CG2 4.09Å; F51-I82 HydrophobicContact CG-CG2 4.34Å; M78-I82 WeakPolarHBondContact O-CB 3.37Å; M78-I82 WeakPolarHBondContact O-CG1 3.43Å; M78-I82 PolarHBondContact O-N 3.47Å; L79-I82 PolarHBondContact O-N 2.72Å; R80-I82 PolarHBondContact O-N 3.46Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.49Å; I82-E85 PolarHBondContact O-N 3.35Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 HydrophobicContact CG2-CG 4.35Å; I82-L86 WeakPolarHBondContact O-CB 3.46Å; I82-L86 WeakPolarHBondContact O-CD1 3.33Å; I82-L86 WeakPolarHBondContact O-CG 3.38Å; I82-L86 PolarHBondContact O-N 3.47Å |
| 83 | Q | 94.6 | Very high | 85.6 | Confident | 85 Ų | 85 | 81.7 Ų | 81.7 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 174.5 | -156.7 | -160.4 | 20.8 | 0 | 0 | 111.7 | F51 L79 R80 R81 L86 K87 | F51-Q83 HydrophobicContact CE2-CB 3.87Å; F51-Q83 HydrophobicContact CE2-CG 4.15Å; F51-Q83 HydrophobicContact CZ-CB 4.34Å; F51-Q83 HydrophobicContact CZ-CG 4.1Å; L79-Q83 VanDerWaalsContact O-CB 3.3Å; L79-Q83 WeakPolarHBondContact O-CB 3.44Å; L79-Q83 PolarHBondContact O-N 2.94Å; R80-Q83 WeakPolarHBondContact O-CB 3.3Å; R80-Q83 PolarHBondContact O-N 3.43Å; R80-Q83 VanDerWaalsContact O-N 3.14Å; R81-Q83 VanDerWaalsContact C-N 3.32Å; R81-Q83 PolarHBondContact O-N 2.87Å; Q83-L86 PolarHBondContact O-N 2.82Å; Q83-K87 VanDerWaalsContact O-CG 3.24Å; Q83-K87 WeakPolarHBondContact O-CG 3.42Å; Q83-K87 PolarHBondContact O-N 3.48Å |
| 84 | D | 95.2 | Very high | 83.3 | Confident | 61 Ų | 61 | 82.9 Ų | 82.9 | 33% | 0.326 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.8 | -33 | 179.6 | -64.9 | -31.5 | 0 | 0 | 0 | 112.3 | R80 R81 I82 K87 Q88 | R80-D84 VanDerWaalsContact O-CG 3.27Å; R80-D84 PolarHBondContact O-N 3.39Å; R81-D84 PolarHBondContact O-N 2.94Å; R81-D84 VanDerWaalsContact O-N 3.14Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.49Å; D84-K87 IonicContact OD1-NZ 2.65Å; D84-K87 PolarHBondContact OD1-NZ 3.3Å; D84-Q88 WeakPolarHBondContact O-CG 3.2Å; D84-Q88 PolarHBondContact O-N 3.04Å; D84-Q88 VanDerWaalsContact O-N 3.09Å; D84-Q88 PolarHBondContact O-NE2 2.85Å |
| 85 | E | 93.5 | Very high | 81 | Confident | 23 Ų | 23 | 86.4 Ų | 86.4 | 11% | 0.107 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 164.7 | -69 | 158.9 | -159 | 0 | 0 | 110.9 | R47 R81 I82 K87 Q88 E89 | R47-E85 VanDerWaalsContact CD-OE2 3.29Å; R47-E85 WeakPolarHBondContact CD-OE2 3.34Å; R81-E85 WeakPolarHBondContact CG-OE1 3.47Å; R81-E85 IonicContact CZ-OE1 3.41Å; R81-E85 IonicContact NE-OE1 3.66Å; R81-E85 IonicContact NH1-OE1 2.83Å; R81-E85 PolarHBondContact NH1-OE1 3.32Å; R81-E85 WeakPolarHBondContact O-CG 3.45Å; R81-E85 PolarHBondContact O-N 3.19Å; I82-E85 PolarHBondContact O-N 3.35Å; E85-K87 VanDerWaalsContact C-N 3.31Å; E85-K87 PolarHBondContact O-N 3.01Å; E85-Q88 PolarHBondContact O-N 3.16Å; E85-E89 PolarHBondContact O-N 3.26Å |
| 86 | L | 90.8 | Very high | 79.1 | Confident | 34 Ų | 34 | 94 Ų | 94 | 18% | 0.178 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.1 | -32.5 | 177 | -72.1 | 165.6 | 0 | 0 | 0 | 113.1 | R47 Q48 F51 I82 Q83 G90 | R47-L86 HydrophobicContact CG-CD2 4.16Å; R47-L86 HydrophobicContact CG-CG 4.31Å; Q48-L86 HydrophobicContact CB-CD2 4.2Å; F51-L86 HydrophobicContact CG-CD1 4.47Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 HydrophobicContact CG2-CG 4.35Å; I82-L86 WeakPolarHBondContact O-CB 3.46Å; I82-L86 WeakPolarHBondContact O-CD1 3.33Å; I82-L86 WeakPolarHBondContact O-CG 3.38Å; I82-L86 PolarHBondContact O-N 3.47Å; Q83-L86 PolarHBondContact O-N 2.82Å; L86-G90 PolarHBondContact O-N 2.85Å |
| 87 | K | 90.4 | Very high | 76.8 | Confident | 108 Ų | 108 | 98.1 Ų | 98.1 | 47% | 0.47 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -47.5 | 171.5 | -74.2 | 164.2 | -159.7 | 155.5 | 0 | 111.6 | Q83 D84 E85 E89 G90 S91 | Q83-K87 VanDerWaalsContact O-CG 3.24Å; Q83-K87 WeakPolarHBondContact O-CG 3.42Å; Q83-K87 PolarHBondContact O-N 3.48Å; D84-K87 IonicContact OD1-NZ 2.65Å; D84-K87 PolarHBondContact OD1-NZ 3.3Å; E85-K87 VanDerWaalsContact C-N 3.31Å; E85-K87 PolarHBondContact O-N 3.01Å; K87-E89 VanDerWaalsContact C-N 3.33Å; K87-E89 PolarHBondContact O-N 3.02Å; K87-G90 PolarHBondContact O-N 3.48Å; K87-S91 PolarHBondContact O-N 2.9Å |
| 88 | Q | 85.4 | Confident | 74.2 | Confident | 128 Ų | 128 | 99.9 Ų | 99.9 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 178.8 | -74.4 | 167.6 | 93.2 | 0 | 0 | 111.3 | D84 E85 S91 L92 | D84-Q88 WeakPolarHBondContact O-CG 3.2Å; D84-Q88 PolarHBondContact O-N 3.04Å; D84-Q88 VanDerWaalsContact O-N 3.09Å; D84-Q88 PolarHBondContact O-NE2 2.85Å; E85-Q88 PolarHBondContact O-N 3.16Å; Q88-S91 VanDerWaalsContact O-CB 3.27Å; Q88-S91 WeakPolarHBondContact O-CB 3.19Å; Q88-S91 PolarHBondContact O-N 3.46Å; Q88-L92 PolarHBondContact O-N 3.28Å; Q88-L92 VanDerWaalsContact O-N 3.1Å |
| 89 | E | 79 | Confident | 71.6 | Confident | 38 Ų | 38 | 101.4 Ų | 101.4 | 18% | 0.178 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -81.8 | -17.7 | 177.6 | -73.1 | 161.4 | 75.8 | 0 | 0 | 113.4 | K40 T44 R47 E85 K87 S91 L92 | K40-E89 VanDerWaalsContact CE-OE1 3.31Å; K40-E89 WeakPolarHBondContact CE-OE1 3.38Å; T44-E89 WeakPolarHBondContact CG2-OE1 3.37Å; R47-E89 VanDerWaalsContact CZ-CD 3.42Å; R47-E89 IonicContact CZ-OE1 2.88Å; R47-E89 VanDerWaalsContact CZ-OE1 3.29Å; R47-E89 IonicContact CZ-OE2 2.88Å; R47-E89 IonicContact NE-OE2 3.21Å; R47-E89 VanDerWaalsContact NH1-CD 3.27Å; R47-E89 IonicContact NH1-OE1 2.69Å; R47-E89 PolarHBondContact NH1-OE1 2.76Å; R47-E89 IonicContact NH1-OE2 3.86Å; R47-E89 PolarHBondContact NH1-OE2 2.88Å; R47-E89 IonicContact NH2-OE1 2.8Å; R47-E89 PolarHBondContact NH2-OE1 2.98Å; R47-E89 IonicContact NH2-OE2 2.76Å; R47-E89 PolarHBondContact NH2-OE2 2.8Å; E85-E89 PolarHBondContact O-N 3.26Å; K87-E89 VanDerWaalsContact C-N 3.33Å; K87-E89 PolarHBondContact O-N 3.02Å; E89-S91 VanDerWaalsContact C-N 3.29Å; E89-L92 HydrophobicContact CG-CD1 4.14Å; E89-L92 CarbonylContact O-C 3.3Å; E89-L92 VanDerWaalsContact O-C 3.3Å; E89-L92 PolarHBondContact O-N 3.48Å; E89-L92 VanDerWaalsContact O-O 3.13Å |
| 90 | G | 63.7 | Low | 69 | Low | 42 Ų | 42 | 105.8 Ų | 105.8 | 43% | 0.433 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.7 | -25.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L86 K87 | L86-G90 PolarHBondContact O-N 2.85Å; K87-G90 PolarHBondContact O-N 3.48Å |
| 91 | S | 49.8 | Very low | 67.3 | Low | 102 Ų | 102 | 104.1 Ų | 104.1 | 71% | 0.713 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76.6 | -32.2 | 168 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | K87 Q88 E89 R93 | K87-S91 PolarHBondContact O-N 2.9Å; Q88-S91 VanDerWaalsContact O-CB 3.27Å; Q88-S91 WeakPolarHBondContact O-CB 3.19Å; Q88-S91 PolarHBondContact O-N 3.46Å; E89-S91 VanDerWaalsContact C-N 3.29Å; S91-R93 PolarHBondContact O-N 2.99Å |
| 92 | L | 49.4 | Very low | 65.8 | Low | 110 Ų | 110 | 100.9 Ų | 100.9 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -76.3 | 58.2 | 165 | -57.4 | 179.7 | 0 | 0 | 0 | 111.4 | Q88 E89 | Q88-L92 PolarHBondContact O-N 3.28Å; Q88-L92 VanDerWaalsContact O-N 3.1Å; E89-L92 HydrophobicContact CG-CD1 4.14Å; E89-L92 CarbonylContact O-C 3.3Å; E89-L92 VanDerWaalsContact O-C 3.3Å; E89-L92 PolarHBondContact O-N 3.48Å; E89-L92 VanDerWaalsContact O-O 3.13Å |
| 93 | R | 50.9 | Low | 64 | Low | 202 Ų | 202 | 105.6 Ų | 105.6 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | trans | -46.7 | 135.8 | -177.8 | -88.4 | -67.3 | -169 | 106.2 | -0.9 | 111.9 | S91 L95 | S91-R93 PolarHBondContact O-N 2.99Å; R93-L95 PolarHBondContact O-N 2.86Å | ||
| 94 | P | 45.6 | Very low | 61.8 | Low | 98 Ų | 98 | 108.4 Ų | 108.4 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | trans | -58 | 121.7 | 179.1 | -25.4 | 34.2 | 0 | 0 | 0 | 112.4 | F96 | P94-F96 PolarHBondContact O-N 3.4Š| ||
| 95 | L | 47.3 | Very low | 59.6 | Low | 175 Ų | 175 | 112 Ų | 112 | 92% | 0.916 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 12.1 | 177 | -82 | 166.8 | 0 | 0 | 0 | 114.5 | R93 | R93-L95 PolarHBondContact O-N 2.86Š|
| 96 | F | 54.3 | Low | 57.6 | Low | 197 Ų | 197 | 116.1 Ų | 116.1 | 86% | 0.864 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 3.2 | -176.3 | -75 | -72.7 | 0 | 0 | 0 | 114.7 | P94 | P94-F96 PolarHBondContact O-N 3.4Š|
| 97 | L | 44.9 | Very low | 55.4 | Low | 149 Ų | 149 | 122.4 Ų | 122.4 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -132.2 | 123.5 | 166.9 | -72.8 | 171.4 | 0 | 0 | 0 | 109.3 | ||
| 98 | P | 42.3 | Very low | 53.4 | Low | 114 Ų | 114 | 124.2 Ų | 124.2 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | trans | -64.9 | 144.8 | 170 | 29.2 | -33.7 | 0 | 0 | 0 | 109.3 | S100 | P98-S100 PolarHBondContact O-N 2.91Å; P98-S100 VanDerWaalsContact O-N 3.08Å | ||
| 99 | P | 41.8 | Very low | 51.5 | Low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | -65.2 | 113.1 | 172.5 | 27.6 | -32.6 | 0 | 0 | 0 | 108.9 | ||||
| 100 | S | 42.5 | Very low | 49.9 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127.7 | 162.9 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | P98 | P98-S100 PolarHBondContact O-N 2.91Å; P98-S100 VanDerWaalsContact O-N 3.08Å |
| 101 | P | 61.5 | Low | 48.9 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 154.1 | 172.7 | 27.2 | -34.3 | 0 | 0 | 0 | 109.9 | ||
| 102 | P | 63.5 | Low | 48.6 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 148.3 | 169.5 | 28.8 | -35 | 0 | 0 | 0 | 109.5 | D104 | P102-D104 PolarHBondContact O-N 2.91Š|
| 103 | P | 57 | Low | 48.2 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | trans | -66.3 | 99.9 | 160 | -13.1 | 28.8 | 0 | 0 | 0 | 107.9 | D105 | P103-D105 PolarHBondContact O-N 3.05Š| ||
| 104 | D | 48 | Very low | 47.5 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -60.4 | 122.5 | 152.4 | -69.7 | -62.1 | 0 | 0 | 0 | 106.7 | P102 P106 | P102-D104 PolarHBondContact O-N 2.91Å; D104-P106 VanDerWaalsContact C-CD 3.44Å; D104-P106 WeakPolarHBondContact O-CD 3.31Å | ||
| 105 | D | 49.4 | Very low | 47.4 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -110.1 | 83.8 | -176.6 | -170 | 8.2 | 0 | 0 | 0 | 110.4 | P103 M107 | P103-D105 PolarHBondContact O-N 3.05Å; D105-M107 PolarHBondContact O-N 3.28Å | ||
| 106 | P | 51.1 | Low | 47.3 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -78.4 | 69.3 | 178.2 | 34.1 | -37 | 0 | 0 | 0 | 110.8 | D104 | D104-P106 VanDerWaalsContact C-CD 3.44Å; D104-P106 WeakPolarHBondContact O-CD 3.31Å | ||
| 107 | M | 44.7 | Very low | 46.3 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -123.5 | 48.7 | 178.1 | -85 | -70.7 | 172 | 0 | 0 | 113.5 | D105 | D105-M107 PolarHBondContact O-N 3.28Š| ||
| 108 | D | 48.8 | Very low | 46 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -139.9 | 70.6 | 145.3 | -167.5 | 18.9 | 0 | 0 | 0 | 110.9 | G110 | D108-G110 VanDerWaalsContact C-N 3.27Å; D108-G110 PolarHBondContact OD1-N 2.65Å | ||
| 109 | E | 45.1 | Very low | 45.6 | Very low | 198 Ų | 198 | 133.4 Ų | 133.4 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | -100.7 | 38.9 | 165.2 | -157.8 | 153.1 | -134 | 0 | 0 | 110.6 | ||||
| 110 | G | 46.8 | Very low | 45.1 | Very low | 41 Ų | 41 | 135 Ų | 135 | 42% | 0.423 | 76% | 0.763 | S | S | . | * | trans | -77.8 | 134.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111 | D108 | D108-G110 VanDerWaalsContact C-N 3.27Å; D108-G110 PolarHBondContact OD1-N 2.65Å | ||
| 111 | F | 42.7 | Very low | 44.9 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 77.4 | 100.8 | 170.3 | -53.4 | -75.8 | 0 | 0 | 0 | 118.6 | ||
| 112 | R | 43.1 | Very low | 43.5 | Very low | 210 Ų | 210 | 138.4 Ų | 138.4 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | 96 | 70.3 | 137 | -55.2 | -75 | -87.3 | -76.4 | -2.1 | 119.5 | ||||
| 113 | E | 40.1 | Very low | 42 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | 44.9 | 97 | 103.9 | -170.8 | 178.5 | -156.6 | 0 | 0 | 117.9 | |||||
| 114 | A | 36.9 | Very low | 41.7 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | 169.4 | 124.5 | 112.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 115 | P | 43.6 | Very low | 41.1 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -80.8 | 149.3 | 158.6 | 35.1 | -32.8 | 0 | 0 | 0 | 109.7 | ||||
| 116 | P | 44.9 | Very low | 40.3 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -155.3 | 176.6 | 81.7 | 41.7 | -23.2 | 0 | 0 | 0 | 117.9 | |||||
| 117 | S | 34.2 | Very low | 39.5 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 100.3 | 146.4 | 146.3 | -153.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 118 | F | 38.3 | Very low | 39.1 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | -92.7 | 148.9 | -178.9 | -67.9 | -112.5 | 0 | 0 | 0 | 111.3 | ||||
| 119 | G | 33 | Very low | 38.8 | Very low | 66 Ų | 66 | 140.3 Ų | 140.3 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 166.4 | 108 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 120 | I | 32.5 | Very low | 38.6 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | 72.8 | 109.1 | 71.3 | -63 | 170.2 | 0 | 0 | 0 | 112.9 | |||||
| 121 | L | 37.3 | Very low | 38 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 38.8 | 118.6 | 156.2 | -68.3 | 168.1 | 0 | 0 | 0 | 120.1 | ||||
| 122 | S | 32 | Very low | 38.1 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | -168.9 | 160.2 | 124.4 | -87.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 123 | Q | 33.3 | Very low | 38.6 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -97.5 | -161.2 | 168.4 | -64.6 | -177.5 | -45 | 0 | 0 | 109.4 | ||||
| 124 | P | 49.8 | Very low | 39.4 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | -130.1 | -175.7 | -74 | 39 | -23.9 | 0 | 0 | 0 | 113.9 | |||||
| 125 | S | 35.9 | Very low | 40.3 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 82.6 | 142.5 | 148.5 | -61.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 126 | A | 32.5 | Very low | 40.5 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | 72.9 | 151.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 127 | L | 34.8 | Very low | 40.3 | Very low | 155 Ų | 155 | 131 Ų | 131 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | cis | -140 | 143.1 | 13.1 | -93.6 | 177.8 | 0 | 0 | 0 | 113.7 | ||||
| 128 | L | 36.7 | Very low | 41.3 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | 62.7 | 110 | 128 | -159.5 | 165.5 | 0 | 0 | 0 | 121 | |||||
| 129 | M | 40.6 | Very low | 41.3 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -144.6 | 138.8 | 144.6 | -87.5 | -59.4 | 147.8 | 0 | 0 | 110.8 | ||||
| 130 | P | 41.8 | Very low | 42.2 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -115.4 | 158 | -175.8 | 40.5 | -32.1 | 0 | 0 | 0 | 116.3 | ||||
| 131 | A | 34 | Very low | 42.4 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 63 | 122.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 132 | I | 44.8 | Very low | 42.7 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -98.7 | 147.1 | 161.6 | -61.6 | 163.4 | 0 | 0 | 0 | 108.8 | ||||
| 133 | P | 54.4 | Low | 43.4 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -125.8 | 152.5 | 142.3 | 5.6 | 16.4 | 0 | 0 | 0 | 113.9 | ||||
| 134 | P | 56.4 | Low | 44.1 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -94.2 | 171.7 | -175.2 | 38.4 | -37.1 | 0 | 0 | 0 | 114.7 | ||||
| 135 | P | 55.7 | Low | 43.3 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -95.9 | 162 | -172.6 | 37.7 | -36.7 | 0 | 0 | 0 | 115.1 | ||||
| 136 | P | 47.3 | Very low | 43.2 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -126.5 | 159.1 | 162.1 | 39.2 | -27.3 | 0 | 0 | 0 | 115.2 | ||||
| 137 | S | 40.9 | Very low | 43.6 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -146.5 | 176.8 | 165.1 | -72.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 138 | P | 55.3 | Low | 43.4 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | cis | -137.7 | -162.8 | 5.7 | 21.5 | 7.2 | 0 | 0 | 0 | 114.4 | ||||
| 139 | H | 39.1 | Very low | 43.8 | Very low | 173 Ų | 173 | 126 Ų | 126 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | 100 | 151.7 | 152.2 | -66.5 | -48.7 | 0 | 0 | 0 | 120.8 | ||||
| 140 | P | 51.4 | Low | 43.4 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -128 | 173.7 | -143.6 | 43.8 | -30 | 0 | 0 | 0 | 116.5 | ||||
| 141 | M | 36.4 | Very low | 42.9 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -147.3 | 168.6 | 161.3 | -98.2 | -165.6 | 72.5 | 0 | 0 | 113.6 | ||||
| 142 | V | 44.2 | Very low | 42.8 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 145.4 | -163.5 | 175.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 143 | P | 46.4 | Very low | 42.2 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 145.8 | 167.5 | 35.8 | -33 | 0 | 0 | 0 | 113.5 | ||
| 144 | P | 47.8 | Very low | 41 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 173.8 | 173.3 | 35.8 | -35.3 | 0 | 0 | 0 | 113.7 | ||
| 145 | S | 32.8 | Very low | 39.7 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 149.1 | -169.8 | 55.3 | 0 | 0 | 0 | 0 | 116.6 | ||
| 146 | C | 33.9 | Very low | 38.7 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 19.8 | 139.4 | 134.5 | -61.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 147 | P | 40.5 | Very low | 38.1 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | -143.9 | 169.1 | 66.1 | 40.6 | -23.8 | 0 | 0 | 0 | 118 | |||||
| 148 | A | 30.6 | Very low | 38.2 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -94.6 | -166.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 149 | P | 45.5 | Very low | 37.5 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | cis | -133.5 | 175.1 | -8.2 | 42.5 | -27.4 | 0 | 0 | 0 | 114.7 | ||||
| 150 | Q | 32.5 | Very low | 37.2 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | trans | -152.8 | 173.5 | 141 | -81.5 | -139.5 | -38.9 | 0 | 0 | 110.3 | ||||
| 151 | R | 31 | Very low | 36.8 | Very low | 217 Ų | 217 | 134.2 Ų | 134.2 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | -130.6 | 138.5 | -152.4 | 165.8 | -169.6 | 172 | 165.1 | 1.8 | 113.4 | ||||
| 152 | L | 32.5 | Very low | 36.9 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | -158.2 | 163.9 | 145.1 | -157.2 | 53.4 | 0 | 0 | 0 | 111.9 | ||||
| 153 | E | 31.5 | Very low | 36.8 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 71% | 0.71 | 81% | 0.812 | S | S | * | * | trans | -79.2 | 156.5 | -174.6 | -66.9 | 118.4 | 86.9 | 0 | 0 | 115.8 | ||||
| 154 | G | 29.6 | Very low | 36.4 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | -178.9 | 96.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 155 | C | 29.3 | Very low | 36.5 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | trans | -45 | 156.7 | -175.9 | -167 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 156 | A | 33.9 | Very low | 37 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 105.3 | 149.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 157 | T | 34.9 | Very low | 37.1 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | trans | -89.9 | 176.7 | -172.5 | 45.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 158 | P | 43.9 | Very low | 37.2 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | cis | -138.9 | 178.9 | 15 | 44.3 | -26.4 | 0 | 0 | 0 | 117.7 | ||||
| 159 | L | 40.2 | Very low | 37.7 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | 42.3 | 113.1 | 153.1 | -69.1 | 169 | 0 | 0 | 0 | 119 | ||||
| 160 | D | 33.5 | Very low | 38.1 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -147.2 | 157.9 | 130.9 | -142.8 | -29.8 | 0 | 0 | 0 | 111.4 | ||||
| 161 | A | 43.1 | Very low | 38.9 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -104.6 | 104.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 162 | C | 36.8 | Very low | 39.6 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -123.4 | 140.8 | 172 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 163 | L | 42.5 | Very low | 39.9 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | trans | -79.5 | 150.6 | -173.3 | -58.6 | 162.6 | 0 | 0 | 0 | 111.3 | ||||
| 164 | T | 38.8 | Very low | 40.2 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | -178.7 | 129.4 | 125.7 | -76.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 165 | P | 48.9 | Very low | 40.8 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | trans | -84.6 | 168.4 | 169.6 | 35.6 | -34.9 | 0 | 0 | 0 | 112.5 | ||||
| 166 | A | 43.1 | Very low | 41.5 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | 82.5 | 97.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 167 | S | 37.6 | Very low | 42.1 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -153.5 | 130.3 | 134.5 | -77.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 168 | L | 41.9 | Very low | 42.3 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | cis | 108.3 | 121.6 | 39.9 | 178 | 147.8 | 0 | 0 | 0 | 109 | ||||
| 169 | L | 41.3 | Very low | 42 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 76% | 0.764 | 83% | 0.831 | S | S | * | * | trans | 9.6 | 117.1 | 165.4 | -63.9 | 167.7 | 0 | 0 | 0 | 119.4 | ||||
| 170 | E | 52.9 | Low | 42.1 | Very low | 197 Ų | 197 | 134 Ų | 134 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | -150.7 | 123.9 | 112.9 | -56 | -165.2 | 97.2 | 0 | 0 | 103.8 | |||||
| 171 | E | 49.2 | Very low | 42.7 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | 69.7 | 128.6 | 50.1 | -162.1 | 164.9 | 96.9 | 0 | 0 | 115.3 | |||||
| 172 | D | 47.3 | Very low | 42.5 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | 62.5 | 136.9 | 177.2 | -147.7 | 50.4 | 0 | 0 | 0 | 117.8 | ||||
| 173 | G | 37.3 | Very low | 43.1 | Very low | 67 Ų | 67 | 133.1 Ų | 133.1 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | cis | -170.2 | 146.9 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 174 | G | 37.3 | Very low | 43.4 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | 169.2 | 106.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 175 | D | 42.7 | Very low | 43.8 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -48.9 | 125.2 | 179.1 | 29.4 | -74.4 | 0 | 0 | 0 | 117.4 | ||||
| 176 | S | 43.5 | Very low | 44.1 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | trans | -159.7 | 148.6 | 133.4 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 177 | A | 47.4 | Very low | 44.4 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -102.9 | 141.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 178 | F | 39.5 | Very low | 44.3 | Very low | 214 Ų | 214 | 134 Ų | 134 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -158.1 | 151 | 137.9 | -128.3 | -91.2 | 0 | 0 | 0 | 111.3 | ||||
| 179 | C | 37.5 | Very low | 44.4 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -99 | 131.7 | -169.3 | -59.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 180 | A | 42.3 | Very low | 44.9 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -159.4 | 139.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 181 | P | 46.5 | Very low | 44.9 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 151.8 | -177.1 | 35.6 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 182 | S | 37.5 | Very low | 45.1 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 148.7 | 178.1 | -46.2 | 0 | 0 | 0 | 0 | 114 | ||
| 183 | P | 49.7 | Very low | 44.6 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 134.9 | 169.1 | 34.8 | -30.9 | 0 | 0 | 0 | 113 | ||
| 184 | P | 49.6 | Very low | 44.9 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 165.1 | 161.3 | 35.1 | -32.3 | 0 | 0 | 0 | 111.9 | ||
| 185 | T | 46 | Very low | 45.5 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -102.9 | -158.2 | -172.6 | 55.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 186 | P | 55.5 | Low | 45.2 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | -102.9 | -177.2 | -119.1 | 40 | -24.7 | 0 | 0 | 0 | 114.6 | |||||
| 187 | P | 49.1 | Very low | 44.8 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -143.4 | 137.6 | 130.6 | 35.3 | -20.3 | 0 | 0 | 0 | 117 | ||||
| 188 | L | 36.7 | Very low | 44.3 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 45.9 | 114.6 | 132.4 | -59.8 | 167 | 0 | 0 | 0 | 121.9 | ||||
| 189 | S | 44.4 | Very low | 44.1 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 41.6 | 120 | 131.6 | -52.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 190 | P | 50.8 | Low | 44.2 | Very low | 124 Ų | 124 | 122 Ų | 122 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -87 | 149.9 | 172.3 | 35.5 | -34.6 | 0 | 0 | 0 | 114.1 | ||||
| 191 | P | 53.3 | Low | 44 | Very low | 120 Ų | 120 | 121.5 Ų | 121.5 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -86 | 161.8 | 164.3 | 35.6 | -33.8 | 0 | 0 | 0 | 112.5 | ||||
| 192 | P | 52.3 | Low | 43.4 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -102.9 | -177.1 | -172.9 | 39.2 | -35.1 | 0 | 0 | 0 | 115.5 | ||||
| 193 | L | 37.4 | Very low | 43.4 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | 100.2 | 152.8 | 175.7 | -77.5 | 69.2 | 0 | 0 | 0 | 116.9 | ||||
| 194 | A | 44.1 | Very low | 42.7 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -141.8 | -159.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 195 | P | 50 | Low | 41.9 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | -129.3 | -166.9 | -18.2 | 40.9 | -24.6 | 0 | 0 | 0 | 112.9 | ||||
| 196 | S | 35.1 | Very low | 41.4 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 108.8 | 150.4 | 163.3 | -48.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 197 | S | 35.3 | Very low | 40.3 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -173.4 | 142 | -28.4 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 198 | A | 37.6 | Very low | 39.5 | Very low | 95 Ų | 95 | 124 Ų | 124 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 64.1 | 169.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 199 | L | 34.9 | Very low | 39.2 | Very low | 155 Ų | 155 | 122.3 Ų | 122.3 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | cis | -159.8 | 153.1 | 10.5 | -161.5 | 57 | 0 | 0 | 0 | 106.3 | ||||
| 200 | M | 41.2 | Very low | 38.7 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | cis | -158.8 | 159.4 | 9.1 | -146.7 | -157.2 | -157.9 | 0 | 0 | 110.9 | ||||
| 201 | S | 36.4 | Very low | 37.8 | Very low | 85 Ų | 85 | 123.5 Ų | 123.5 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | trans | 61.6 | 153.7 | 150 | -68.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 202 | K | 35.6 | Very low | 36.9 | Very low | 190 Ų | 190 | 124.1 Ų | 124.1 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | cis | -159.6 | 145 | -13.7 | -109.3 | 167 | 178.5 | 175.1 | 0 | 105.5 | ||||
| 203 | L | 35.5 | Very low | 36.1 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | -172.4 | 159.6 | 79.5 | -176.1 | 62 | 0 | 0 | 0 | 110.7 | |||||
| 204 | S | 36.1 | Very low | 36.2 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -60.4 | 168.6 | 173.1 | -41.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 205 | S | 33 | Very low | 35.8 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -157.6 | 134.7 | 21.4 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 206 | S | 34.5 | Very low | 35.1 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | 51.7 | 133 | 94.2 | -126.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 207 | V | 32.5 | Very low | 35.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | cis | -142.9 | 144.5 | 11.9 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | V209 | V207-V209 HydrophobicContact CG1-CG2 4.1Š| ||
| 208 | T | 33 | Very low | 36 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | cis | 93.6 | 65 | 2.3 | -34.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 209 | V | 31.3 | Very low | 36.2 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -139.1 | 115.8 | 154.7 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | V207 | V207-V209 HydrophobicContact CG1-CG2 4.1Š| ||
| 210 | L | 32.5 | Very low | 36.3 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -116.1 | 127.5 | 150.2 | 170.2 | 67.7 | 0 | 0 | 0 | 105.6 | ||||
| 211 | S | 32 | Very low | 36.2 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -93.9 | 110.2 | 175 | -64.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 212 | N | 34.2 | Very low | 36.7 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -89.1 | 133.2 | 163.8 | -66.8 | 17.4 | 0 | 0 | 0 | 108.4 | ||||
| 213 | D | 35.6 | Very low | 37.3 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -129.3 | 138.6 | 156.7 | -128.3 | -38.8 | 0 | 0 | 0 | 108.5 | ||||
| 214 | S | 39.5 | Very low | 37.3 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | -104.4 | 127.1 | -167.7 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 215 | F | 36.8 | Very low | 37.5 | Very low | 203 Ų | 203 | 127.5 Ų | 127.5 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -154.1 | 140.6 | 152 | -96 | -66.3 | 0 | 0 | 0 | 113.8 | ||||
| 216 | S | 34.7 | Very low | 38.3 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | 62.4 | 93.2 | 155.1 | -58.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 217 | S | 35.6 | Very low | 39.4 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | 58.7 | 131.8 | 126.9 | -52.3 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 218 | P | 53.1 | Low | 39.4 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -79.4 | 172.6 | 166.9 | 37.3 | -36.6 | 0 | 0 | 0 | 112.1 | ||||
| 219 | P | 42 | Very low | 39.3 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | -135.8 | 140.7 | 109.1 | 36.9 | -27.6 | 0 | 0 | 0 | 115.4 | |||||
| 220 | S | 36.4 | Very low | 39.5 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 23.4 | 115 | 152.8 | -53.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 221 | D | 40.1 | Very low | 39.7 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | -60.3 | 135.6 | 128.3 | -176.5 | -66.8 | 0 | 0 | 0 | 109.3 | |||||
| 222 | M | 45.9 | Very low | 40 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -153.2 | 99.8 | 158.9 | -89.5 | -161.4 | 69 | 0 | 0 | 110.4 | ||||
| 223 | E | 48.6 | Very low | 40.2 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -66.6 | 175.2 | 148.8 | -157.9 | 178.8 | 90.9 | 0 | 0 | 110.4 | ||||
| 224 | L | 36.3 | Very low | 40.2 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | 77.2 | 102.2 | 170.4 | -57.4 | 164.7 | 0 | 0 | 0 | 117.4 | ||||
| 225 | A | 40.6 | Very low | 39.8 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -63.4 | 148.6 | 139.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 226 | P | 49.5 | Very low | 39.7 | Very low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | -149.5 | -150.7 | 90.8 | 35.1 | -11.8 | 0 | 0 | 0 | 112.1 | |||||
| 227 | P | 56.8 | Low | 40 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | -126.7 | -160 | -76.3 | 38.6 | -22.3 | 0 | 0 | 0 | 113.1 | |||||
| 228 | T | 32.1 | Very low | 40 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 100.8 | 150 | 163.4 | 71.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 229 | A | 32.3 | Very low | 39.3 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 60% | 0.595 | 78% | 0.777 | S | S | * | * | cis | -171.6 | 155.1 | -32.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 230 | I | 35.6 | Very low | 38.9 | Very low | 157 Ų | 157 | 131 Ų | 131 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | 68.4 | 123 | 163 | -51.9 | 139.9 | 0 | 0 | 0 | 113.3 | ||||
| 231 | T | 36.6 | Very low | 38.9 | Very low | 134 Ų | 134 | 133 Ų | 133 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | -159.5 | 146.7 | 80.4 | -58.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 232 | R | 37.4 | Very low | 38.5 | Very low | 227 Ų | 227 | 131.4 Ų | 131.4 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | -80.2 | 139.8 | 180 | 165.6 | -165.8 | -175.6 | -173.1 | 4.2 | 112.8 | ||||
| 233 | T | 39.1 | Very low | 38 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 161.9 | 117.8 | 148.6 | -73 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 234 | A | 34.5 | Very low | 37.3 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | cis | 90.9 | 134.2 | 37.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 235 | A | 32.3 | Very low | 37.6 | Very low | 101 Ų | 101 | 127 Ų | 127 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 80.2 | 114.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 236 | A | 35.2 | Very low | 37.1 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | 77 | 115.9 | 124.9 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 237 | N | 39.5 | Very low | 37 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 43.2 | 123.2 | 127.1 | -56.2 | 2.5 | 0 | 0 | 0 | 121.2 | |||||
| 238 | T | 36.1 | Very low | 35.8 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | -157.1 | 168.7 | 117.3 | 4.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 239 | M | 38.7 | Very low | 36.3 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -146.8 | 144.4 | -161.6 | -172.6 | -179.6 | -176.1 | 0 | 0 | 111.4 | ||||
| 240 | T | 34 | Very low | 36.1 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 60.2 | 164.2 | -176.3 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 241 | I | 35.4 | Very low | 35.9 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | cis | -144.6 | 126.5 | 30.4 | -65.7 | 169.2 | 0 | 0 | 0 | 106.9 | ||||
| 242 | T | 32.6 | Very low | 35.7 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | 54.6 | 149.8 | 95.8 | -43.3 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 243 | T | 34.1 | Very low | 35.9 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | 98 | 124.2 | 172.2 | 71.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 244 | S | 33.7 | Very low | 35.6 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -105.2 | 161.1 | 159.5 | 55.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 245 | P | 43.7 | Very low | 35.4 | Very low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | -154.2 | -179.8 | 82.3 | 40.2 | -19.3 | 0 | 0 | 0 | 117.3 | |||||
| 246 | T | 30.1 | Very low | 35.5 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -66.1 | 175.7 | 164.5 | 4.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 247 | P | 46.3 | Very low | 35.3 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -136.7 | -155.5 | 4.1 | 40.5 | -17.9 | 0 | 0 | 0 | 116.6 | ||||
| 248 | S | 33.2 | Very low | 35.2 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -73.1 | 179.4 | -169.5 | 60 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 249 | P | 41 | Very low | 35 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | -147.8 | 161 | 97.3 | 36.5 | -18.6 | 0 | 0 | 0 | 118.3 | |||||
| 250 | F | 29.5 | Very low | 34.7 | Very low | 188 Ų | 188 | 127.1 Ų | 127.1 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 10.5 | 143.6 | 151.5 | -63 | -84.5 | 0 | 0 | 0 | 121.5 | ||||
| 251 | S | 31 | Very low | 34.9 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | -165.6 | 163.5 | 71.7 | -62.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 252 | S | 31.9 | Very low | 34.8 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -126.2 | 175.3 | 175.5 | 63.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 253 | P | 41.7 | Very low | 34.8 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -144.4 | 119.5 | 137.5 | 31.8 | -13.5 | 0 | 0 | 0 | 117 | ||||
| 254 | T | 33.1 | Very low | 34.7 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | 40 | 129.7 | 135.9 | 56.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 255 | G | 29.7 | Very low | 34.6 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 132.2 | 140 | 138.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 256 | S | 34.7 | Very low | 34.2 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -160.9 | 132.9 | -15.8 | -165.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 257 | T | 31.3 | Very low | 34.8 | Very low | 111 Ų | 111 | 131 Ų | 131 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | trans | 31.7 | 130.8 | 146.1 | 60.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 258 | R | 38.2 | Very low | 34 | Very low | 225 Ų | 225 | 132.6 Ų | 132.6 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | -177.5 | 124.2 | 98.3 | 180 | 171.6 | -65.5 | 107.8 | -0.6 | 113 | |||||
| 259 | D | 31.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -73.5 | 161.3 | 169.5 | -57.8 | -111.8 | 0 | 0 | 0 | 114.2 | ||||
| 260 | C | 32.7 | Very low | 33.6 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 92% | 0.919 | 78% | 0.783 | S | S | * | * | trans | -153.9 | 147.2 | 137.8 | -122.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 261 | R | 38.9 | Very low | 33.6 | Very low | 215 Ų | 215 | 126.7 Ų | 126.7 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -128.8 | 171.3 | -173.2 | -69.2 | -173.6 | -179.5 | -152.3 | 2 | 112.5 | ||||
| 262 | T | 31.8 | Very low | 33.6 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 77% | 0.774 | S | S | * | * | trans | 106.7 | 133.4 | 134.5 | -13.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 263 | M | 33 | Very low | 33.6 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 66.8 | 146.6 | 166.3 | -38.8 | -75.5 | 48.9 | 0 | 0 | 117.5 | ||||
| 264 | G | 32.3 | Very low | 33.2 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | cis | 116.3 | 92.5 | -13.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 265 | A | 32.4 | Very low | 33.5 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | -162.1 | 158.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 266 | K | 33.5 | Very low | 33.4 | Very low | 171 Ų | 171 | 131 Ų | 131 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -142.1 | 130.8 | 170.5 | 175.5 | -163.7 | 168.7 | -160.8 | 0 | 109.4 | E268 | K266-E268 IonicContact NZ-OE2 3.8Š| ||
| 267 | P | 44 | Very low | 33.2 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | -133.8 | 162.4 | 126.7 | 35.7 | -23.9 | 0 | 0 | 0 | 110.2 | |||||
| 268 | E | 29.3 | Very low | 33.4 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | cis | 93 | 120.1 | 14.6 | -142.5 | -162.8 | 113.3 | 0 | 0 | 118.9 | K266 | K266-E268 IonicContact NZ-OE2 3.8Š| ||
| 269 | A | 31.2 | Very low | 34.2 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | 81 | 140.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 270 | A | 33.9 | Very low | 34.1 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | 64.1 | 137.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 271 | A | 30.7 | Very low | 34.1 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | cis | -160.5 | -161.2 | -12.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 272 | V | 30.9 | Very low | 34.2 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | cis | -160 | 172.9 | 15.5 | -137 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 273 | F | 31.6 | Very low | 34.6 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | 72 | 130.1 | 159.4 | -71 | -63.2 | 0 | 0 | 0 | 122.2 | ||||
| 274 | L | 33.6 | Very low | 34.7 | Very low | 157 Ų | 157 | 125 Ų | 125 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -111.5 | 165.8 | 157.9 | -58.6 | 172.6 | 0 | 0 | 0 | 108 | ||||
| 275 | P | 38.3 | Very low | 35.1 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | -128.2 | 160.3 | 74.1 | 13.7 | 10.3 | 0 | 0 | 0 | 112.4 | |||||
| 276 | A | 29 | Very low | 35.8 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | cis | 70.4 | 142.5 | 42.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 277 | H | 30 | Very low | 36.3 | Very low | 177 Ų | 177 | 126 Ų | 126 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | cis | -151.4 | 179.7 | 10.3 | -49 | -112.2 | 0 | 0 | 0 | 107.7 | ||||
| 278 | S | 34.8 | Very low | 36 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -170.9 | 160.8 | -26.7 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 279 | P | 55.3 | Low | 37.4 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | -104.8 | 170.3 | -166 | 40.5 | -36.8 | 0 | 0 | 0 | 117.3 | ||||
| 280 | A | 29.3 | Very low | 37.4 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -168.2 | 161.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 281 | S | 32.5 | Very low | 37.8 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | cis | -180 | 129.3 | -24.7 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 282 | L | 40 | Very low | 38.8 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 56 | 160.1 | 165.6 | -87.6 | 137.3 | 0 | 0 | 0 | 117.4 | ||||
| 283 | E | 41.9 | Very low | 39.4 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | cis | -157.4 | 156.8 | 7.1 | 23.3 | -170.1 | 70.2 | 0 | 0 | 108.8 | ||||
| 284 | D | 33.8 | Very low | 40.2 | Very low | 137 Ų | 137 | 122.5 Ų | 122.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | cis | -137.2 | -126.4 | -13.9 | -166.5 | 24 | 0 | 0 | 0 | 108.3 | ||||
| 285 | I | 40.6 | Very low | 40.6 | Very low | 155 Ų | 155 | 118.8 Ų | 118.8 | 80% | 0.795 | 75% | 0.751 | S | S | * | * | cis | -143.3 | 151.3 | -1.5 | -35.2 | 165.4 | 0 | 0 | 0 | 108.8 | ||||
| 286 | S | 46.8 | Very low | 41.1 | Very low | 89 Ų | 89 | 116.8 Ų | 116.8 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | trans | -93.6 | 159.2 | 172.3 | -134.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 287 | P | 44 | Very low | 42.2 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -138.8 | 150.6 | 61.7 | 35.6 | -16.7 | 0 | 0 | 0 | 117.7 | |||||
| 288 | S | 39.1 | Very low | 43.1 | Very low | 101 Ų | 101 | 118.6 Ų | 118.6 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -73.3 | 177.9 | 161.9 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 289 | P | 58.2 | Low | 43.9 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | cis | -127.7 | -179.3 | 12.2 | 46 | -30 | 0 | 0 | 0 | 114 | ||||
| 290 | S | 31.3 | Very low | 43.8 | Very low | 112 Ų | 112 | 117.6 Ų | 117.6 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | cis | -152.1 | 155 | 18.4 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 291 | S | 41.9 | Very low | 45 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -73.3 | 176.5 | 167.5 | -38 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 292 | P | 51 | Low | 46.2 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | cis | -140.2 | 176.8 | 4.1 | 44 | -26.8 | 0 | 0 | 0 | 117.5 | ||||
| 293 | S | 45.6 | Very low | 46.9 | Very low | 114 Ų | 114 | 114.5 Ų | 114.5 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | 70.1 | 140.8 | 147.8 | -66.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 294 | S | 46.7 | Very low | 47.8 | Very low | 112 Ų | 112 | 110.2 Ų | 110.2 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | 67.6 | 104.1 | 153.1 | -163.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 295 | S | 43 | Very low | 49.1 | Very low | 80 Ų | 80 | 109.9 Ų | 109.9 | 56% | 0.559 | 69% | 0.687 | S | S | * | * | -163.5 | 119.4 | 125.4 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | F297 | S295-F297 PolarHBondContact OG-N 3.06Š| |||
| 296 | G | 48.3 | Very low | 50.2 | Low | 74 Ų | 74 | 107.4 Ų | 107.4 | 76% | 0.763 | 68% | 0.678 | S | S | * | * | trans | -102.9 | 17.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 297 | F | 51.5 | Low | 51.1 | Low | 164 Ų | 164 | 109 Ų | 109 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | trans | -106.1 | -1.3 | -162.5 | -66.3 | -78.2 | 0 | 0 | 0 | 115.1 | S295 | S295-F297 PolarHBondContact OG-N 3.06Š| ||
| 298 | L | 49.7 | Very low | 51.6 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 64% | 0.644 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -5 | -173.3 | -59.8 | -179.6 | 0 | 0 | 0 | 114.7 | D300 L301 | L298-D300 VanDerWaalsContact C-N 3.26Å; L298-D300 PolarHBondContact O-N 3.4Å; L298-L301 HydrophobicContact CD2-CD1 3.9Å |
| 299 | S | 51.2 | Low | 52.9 | Low | 100 Ų | 100 | 107.4 Ų | 107.4 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -16 | 174.6 | -59.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 300 | D | 54.3 | Low | 53.3 | Low | 119 Ų | 119 | 108.5 Ų | 108.5 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -33.5 | 179.3 | -147.4 | 28.4 | 0 | 0 | 0 | 111.5 | L298 A302 L303 | L298-D300 VanDerWaalsContact C-N 3.26Å; L298-D300 PolarHBondContact O-N 3.4Å; D300-A302 PolarHBondContact O-N 2.89Å; D300-A302 VanDerWaalsContact O-N 3.16Å; D300-L303 WeakPolarHBondContact O-CB 3.03Å; D300-L303 PolarHBondContact O-N 3.09Å |
| 301 | L | 53.7 | Low | 55.3 | Low | 119 Ų | 119 | 107.4 Ų | 107.4 | 62% | 0.623 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.6 | -20.7 | 178.2 | -65.9 | 169.9 | 0 | 0 | 0 | 113.7 | L298 L303 | L298-L301 HydrophobicContact CD2-CD1 3.9Å; L301-L303 VanDerWaalsContact C-N 3.33Å |
| 302 | A | 57.5 | Low | 56 | Low | 61 Ų | 61 | 108.4 Ų | 108.4 | 50% | 0.504 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -85.7 | -4.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D300 | D300-A302 PolarHBondContact O-N 2.89Å; D300-A302 VanDerWaalsContact O-N 3.16Å |
| 303 | L | 55.4 | Low | 56.6 | Low | 96 Ų | 96 | 108.1 Ų | 108.1 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -87.8 | -26.1 | 172.4 | -59.9 | 179.2 | 0 | 0 | 0 | 111.6 | D300 L301 V306 L307 | D300-L303 WeakPolarHBondContact O-CB 3.03Å; D300-L303 PolarHBondContact O-N 3.09Å; L301-L303 VanDerWaalsContact C-N 3.33Å; L303-V306 PolarHBondContact O-N 2.98Å; L303-L307 HydrophobicContact CB-CD1 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.43Å; L303-L307 WeakPolarHBondContact O-CG 3.25Å; L303-L307 PolarHBondContact O-N 3.24Å |
| 304 | D | 59.2 | Low | 57.4 | Low | 87 Ų | 87 | 106.9 Ų | 106.9 | 47% | 0.465 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -58 | -50.5 | 173.2 | -119 | -124.5 | 0 | 0 | 0 | 110.9 | V306 L307 F308 | D304-V306 PolarHBondContact O-N 2.99Å; D304-L307 PolarHBondContact O-N 2.87Å; D304-L307 VanDerWaalsContact O-N 3.09Å; D304-F308 HydrophobicContact CB-CD2 4.22Å; D304-F308 HydrophobicContact CB-CE2 4.46Å; D304-F308 VanDerWaalsContact CG-CE2 3.49Å; D304-F308 WeakPolarHBondContact O-CB 3.32Å; D304-F308 WeakPolarHBondContact O-CD2 3.36Å; D304-F308 PolarHBondContact O-N 2.8Å; D304-F308 VanDerWaalsContact OD2-CE2 3.25Å; D304-F308 WeakPolarHBondContact OD2-CE2 3.47Å |
| 305 | D | 61.1 | Low | 58.2 | Low | 131 Ų | 131 | 109 Ų | 109 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -56.6 | -22.9 | 178.6 | -76 | -28.4 | 0 | 0 | 0 | 114.1 | A309 | D305-A309 WeakPolarHBondContact O-CB 3.33Å |
| 306 | V | 64 | Low | 58.7 | Low | 103 Ų | 103 | 114 Ų | 114 | 62% | 0.624 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -96.7 | -32.9 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 112 | L303 D304 | L303-V306 PolarHBondContact O-N 2.98Å; D304-V306 PolarHBondContact O-N 2.99Å |
| 307 | L | 65.6 | Low | 58.6 | Low | 122 Ų | 122 | 117 Ų | 117 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -87.3 | -21.1 | -177.8 | -67 | 172.6 | 0 | 0 | 0 | 113.5 | L303 D304 | L303-L307 HydrophobicContact CB-CD1 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.43Å; L303-L307 WeakPolarHBondContact O-CG 3.25Å; L303-L307 PolarHBondContact O-N 3.24Å; D304-L307 PolarHBondContact O-N 2.87Å; D304-L307 VanDerWaalsContact O-N 3.09Å |
| 308 | F | 56.1 | Low | 58.4 | Low | 115 Ų | 115 | 116.8 Ų | 116.8 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -103.7 | -13.1 | -179 | -70.3 | -107.6 | 0 | 0 | 0 | 113.6 | D304 D310 I311 | D304-F308 HydrophobicContact CB-CD2 4.22Å; D304-F308 HydrophobicContact CB-CE2 4.46Å; D304-F308 VanDerWaalsContact CG-CE2 3.49Å; D304-F308 WeakPolarHBondContact O-CB 3.32Å; D304-F308 WeakPolarHBondContact O-CD2 3.36Å; D304-F308 PolarHBondContact O-N 2.8Å; D304-F308 VanDerWaalsContact OD2-CE2 3.25Å; D304-F308 WeakPolarHBondContact OD2-CE2 3.47Å; F308-D310 VanDerWaalsContact C-N 3.29Å; F308-D310 PolarHBondContact O-N 3.43Å; F308-I311 HydrophobicContact CB-CD1 4.2Å; F308-I311 HydrophobicContact CD1-CD1 3.62Å; F308-I311 HydrophobicContact CE1-CD1 4.25Å; F308-I311 HydrophobicContact CG-CD1 4.01Å; F308-I311 WeakPolarHBondContact O-CB 3.39Å; F308-I311 PolarHBondContact O-N 3.22Å |
| 309 | A | 66.5 | Low | 58.5 | Low | 78 Ų | 78 | 117.5 Ų | 117.5 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -28.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D305 I311 | D305-A309 WeakPolarHBondContact O-CB 3.33Å; A309-I311 VanDerWaalsContact C-N 3.27Å; A309-I311 PolarHBondContact O-N 3.39Å |
| 310 | D | 66.3 | Low | 58.5 | Low | 148 Ų | 148 | 118.6 Ų | 118.6 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 4.7 | 177.3 | -72.5 | -9.7 | 0 | 0 | 0 | 113.1 | F308 D312 | F308-D310 VanDerWaalsContact C-N 3.29Å; F308-D310 PolarHBondContact O-N 3.43Å; D310-D312 PolarHBondContact O-N 3.46Å |
| 311 | I | 72.6 | Confident | 58.4 | Low | 89 Ų | 89 | 119.3 Ų | 119.3 | 46% | 0.456 | 66% | 0.656 | S | S | . | * | trans | -92.1 | 99.3 | -178.6 | -56.2 | 179.9 | 0 | 0 | 0 | 110 | F308 A309 T313 | F308-I311 HydrophobicContact CB-CD1 4.2Å; F308-I311 HydrophobicContact CD1-CD1 3.62Å; F308-I311 HydrophobicContact CE1-CD1 4.25Å; F308-I311 HydrophobicContact CG-CD1 4.01Å; F308-I311 WeakPolarHBondContact O-CB 3.39Å; F308-I311 PolarHBondContact O-N 3.22Å; A309-I311 VanDerWaalsContact C-N 3.27Å; A309-I311 PolarHBondContact O-N 3.39Å; I311-T313 VanDerWaalsContact C-N 3.26Å; I311-T313 HydrophobicContact CG2-CG2 4.16Å; I311-T313 PolarHBondContact O-N 3.46Å | ||
| 312 | D | 56.9 | Low | 58.4 | Low | 131 Ų | 131 | 119 Ų | 119 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | trans | -62.5 | 75.9 | 174.7 | -83.8 | -49.7 | 0 | 0 | 0 | 113 | D310 S314 M315 | D310-D312 PolarHBondContact O-N 3.46Å; D312-S314 PolarHBondContact O-N 2.76Å; D312-M315 PolarHBondContact O-N 3.25Å | ||
| 313 | T | 63.3 | Low | 58 | Low | 104 Ų | 104 | 122.3 Ų | 122.3 | 64% | 0.638 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -68.5 | -11.7 | 173.6 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | I311 M315 Y316 | I311-T313 VanDerWaalsContact C-N 3.26Å; I311-T313 HydrophobicContact CG2-CG2 4.16Å; I311-T313 PolarHBondContact O-N 3.46Å; T313-M315 PolarHBondContact O-N 3.22Å; T313-Y316 WeakPolarHBondContact O-CA 3.49Å; T313-Y316 PolarHBondContact O-N 3.5Å |
| 314 | S | 63.4 | Low | 57.4 | Low | 89 Ų | 89 | 123.3 Ų | 123.3 | 62% | 0.622 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -59.8 | -22.4 | 173.2 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | D312 Y316 | D312-S314 PolarHBondContact O-N 2.76Å; S314-Y316 VanDerWaalsContact C-N 3.26Å; S314-Y316 PolarHBondContact O-N 3.43Å |
| 315 | M | 61.9 | Low | 56.5 | Low | 157 Ų | 157 | 122.3 Ų | 122.3 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -78.9 | -5.1 | 171.6 | -96.6 | -71 | -59.8 | 0 | 0 | 114 | D312 T313 | D312-M315 PolarHBondContact O-N 3.25Å; T313-M315 PolarHBondContact O-N 3.22Å |
| 316 | Y | 55 | Low | 55.6 | Low | 185 Ų | 185 | 120.6 Ų | 120.6 | 73% | 0.725 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -121 | 28.3 | 178.8 | -83.2 | -76.5 | 0 | 0 | 0 | 112.5 | T313 S314 F318 | T313-Y316 WeakPolarHBondContact O-CA 3.49Å; T313-Y316 PolarHBondContact O-N 3.5Å; S314-Y316 VanDerWaalsContact C-N 3.26Å; S314-Y316 PolarHBondContact O-N 3.43Å; Y316-F318 HydrophobicContact CD1-CE2 4.12Å; Y316-F318 PolarHBondContact O-N 2.98Å |
| 317 | D | 45.5 | Very low | 54.6 | Low | 136 Ų | 136 | 123.1 Ų | 123.1 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -67.7 | 96.4 | 168.3 | -166.1 | 12 | 0 | 0 | 0 | 110.1 | D319 | D317-D319 PolarHBondContact O-N 2.92Š| ||
| 318 | F | 46.4 | Very low | 53.2 | Low | 160 Ų | 160 | 121.1 Ų | 121.1 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | trans | -81.1 | 103 | 171.8 | -87.7 | -86.1 | 0 | 0 | 0 | 109 | Y316 | Y316-F318 HydrophobicContact CD1-CE2 4.12Å; Y316-F318 PolarHBondContact O-N 2.98Å | ||
| 319 | D | 51.5 | Low | 52.6 | Low | 138 Ų | 138 | 120 Ų | 120 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -36.9 | 137.4 | 174.3 | -101.2 | -52.7 | 0 | 0 | 0 | 112.8 | D317 C321 | D317-D319 PolarHBondContact O-N 2.92Å; D319-C321 VanDerWaalsContact C-N 3.33Å; D319-C321 PolarHBondContact O-N 2.99Å | ||
| 320 | P | 52.9 | Low | 51.2 | Low | 122 Ų | 122 | 123 Ų | 123 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -74.1 | 74.6 | -159.6 | 29.4 | -37.5 | 0 | 0 | 0 | 115 | ||
| 321 | C | 51.1 | Low | 50 | Low | 134 Ų | 134 | 120.8 Ų | 120.8 | 91% | 0.905 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -113.9 | 5.3 | 167 | -81.6 | 0 | 0 | 0 | 0 | 113.1 | D319 | D319-C321 VanDerWaalsContact C-N 3.33Å; D319-C321 PolarHBondContact O-N 2.99Å |
| 322 | T | 54.6 | Low | 48.2 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -137.7 | 26.6 | -171.9 | -158.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 323 | T | 48.3 | Very low | 47.1 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -152.7 | 101.6 | 153 | -80.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 324 | A | 43.5 | Very low | 45.7 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 97% | 0.967 | 80% | 0.799 | S | S | * | * | trans | -125.2 | 98.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 325 | G | 40.5 | Very low | 44.4 | Very low | 65 Ų | 65 | 116.7 Ų | 116.7 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | cis | 169.8 | -171.8 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 326 | A | 41.7 | Very low | 43.2 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -139.1 | 116.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 327 | V | 42.9 | Very low | 42.8 | Very low | 156 Ų | 156 | 114.7 Ų | 114.7 | 95% | 0.945 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 38.3 | 107.8 | 158.4 | -172.5 | 0 | 0 | 0 | 0 | 118.1 | ||
| 328 | G | 36.1 | Very low | 42.8 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | 166.5 | 131.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 329 | A | 43.3 | Very low | 42.9 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | trans | -124.6 | 141.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 330 | T | 38.2 | Very low | 42.4 | Very low | 142 Ų | 142 | 116.8 Ų | 116.8 | 87% | 0.871 | 83% | 0.832 | S | S | * | * | -172 | 130.5 | 125.3 | 23.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 331 | A | 41 | Very low | 41.9 | Very low | 100 Ų | 100 | 115.9 Ų | 115.9 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | 48 | 119.7 | 139.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 332 | G | 35.1 | Very low | 41.9 | Very low | 87 Ų | 87 | 116.4 Ų | 116.4 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | 96.6 | 126 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 333 | G | 33.8 | Very low | 42.1 | Very low | 85 Ų | 85 | 114.9 Ų | 114.9 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | cis | 123.9 | 136.4 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 334 | G | 33.7 | Very low | 42.7 | Very low | 84 Ų | 84 | 113.1 Ų | 113.1 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | cis | -179.3 | 161.1 | -5.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 335 | G | 35.2 | Very low | 43.5 | Very low | 71 Ų | 71 | 110.4 Ų | 110.4 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -168.7 | 115.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 336 | H | 37.9 | Very low | 44.5 | Very low | 198 Ų | 198 | 111.8 Ų | 111.8 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | 54.1 | 107.8 | 162 | -63.8 | -82.8 | 0 | 0 | 0 | 119 | ||||
| 337 | A | 44.7 | Very low | 45.4 | Very low | 103 Ų | 103 | 110.9 Ų | 110.9 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -74.5 | 126.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 338 | K | 47.4 | Very low | 46.4 | Very low | 207 Ų | 207 | 108.2 Ų | 108.2 | 90% | 0.9 | 73% | 0.732 | S | S | * | * | trans | -123.3 | 142.8 | 142 | -153 | 172.1 | -176.8 | -177.2 | 0 | 106.3 | S340 | K338-S340 PolarHBondContact O-N 3.4Š| ||
| 339 | L | 47 | Very low | 47.7 | Very low | 170 Ų | 170 | 109.5 Ų | 109.5 | 89% | 0.89 | 72% | 0.72 | S | S | * | * | trans | -71.4 | 89.7 | -161.6 | -59.1 | 174.4 | 0 | 0 | 0 | 112.2 | ||||
| 340 | S | 41.2 | Very low | 48.4 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -67.4 | 132.1 | 168.8 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | K338 V342 | K338-S340 PolarHBondContact O-N 3.4Å; S340-V342 PolarHBondContact O-N 3.48Å | ||
| 341 | P | 43.4 | Very low | 49.1 | Very low | 102 Ų | 102 | 108.8 Ų | 108.8 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | trans | -57.5 | 131.5 | 171 | -23.1 | 34 | 0 | 0 | 0 | 110.6 | V343 | P341-V343 HydrophobicContact CB-CG2 4.12Å; P341-V343 PolarHBondContact O-N 2.9Å | ||
| 342 | V | 51.3 | Low | 49.7 | Very low | 146 Ų | 146 | 110.7 Ų | 110.7 | 89% | 0.885 | 69% | 0.691 | S | S | * | * | trans | -75.6 | 80.6 | 169.4 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | S340 N344 | S340-V342 PolarHBondContact O-N 3.48Å; V342-N344 PolarHBondContact O-N 2.82Å; V342-N344 VanDerWaalsContact O-N 3.07Å | ||
| 343 | V | 57.6 | Low | 50.3 | Low | 80 Ų | 80 | 111.5 Ų | 111.5 | 49% | 0.485 | 68% | 0.679 | S | S | . | * | trans | -70.2 | 103.1 | 175.2 | -171.2 | 0 | 0 | 0 | 0 | 107.7 | P341 D347 L348 | P341-V343 HydrophobicContact CB-CG2 4.12Å; P341-V343 PolarHBondContact O-N 2.9Å; V343-D347 HydrophobicContact CG1-CB 4.06Å; V343-L348 HydrophobicContact CG1-CD2 4.31Å; V343-L348 HydrophobicContact CG1-CG 3.96Å | ||
| 344 | N | 60.3 | Low | 50.8 | Low | 95 Ų | 95 | 110.5 Ų | 110.5 | 51% | 0.508 | 66% | 0.659 | S | S | . | * | trans | -63.5 | 147.5 | 173.1 | -176.1 | 17.8 | 0 | 0 | 0 | 109.8 | V342 D346 D347 | V342-N344 PolarHBondContact O-N 2.82Å; V342-N344 VanDerWaalsContact O-N 3.07Å; N344-D346 PolarHBondContact ND2-OD2 2.98Å; N344-D346 PolarHBondContact O-N 3.09Å; N344-D347 PolarHBondContact O-N 3.25Å | ||
| 345 | A | 60.4 | Low | 51.4 | Low | 60 Ų | 60 | 113.6 Ų | 113.6 | 50% | 0.496 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -55.9 | -30.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D347 L348 L349 | A345-D347 VanDerWaalsContact C-N 3.28Å; A345-D347 PolarHBondContact O-N 2.77Å; A345-L348 PolarHBondContact O-N 3.35Å; A345-L349 PolarHBondContact O-N 3.42Å |
| 346 | D | 61.6 | Low | 52.1 | Low | 93 Ų | 93 | 116.1 Ų | 116.1 | 50% | 0.497 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -58.2 | -33.5 | 174.6 | -60.2 | -53.4 | 0 | 0 | 0 | 113.6 | N344 K350 | N344-D346 PolarHBondContact ND2-OD2 2.98Å; N344-D346 PolarHBondContact O-N 3.09Å; D346-K350 WeakPolarHBondContact O-CG 3.34Å; D346-K350 PolarHBondContact O-N 2.99Å |
| 347 | D | 61.3 | Low | 52.5 | Low | 77 Ų | 77 | 111.7 Ų | 111.7 | 41% | 0.412 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -82 | -30.3 | 179.2 | -93.7 | 11 | 0 | 0 | 0 | 112.5 | V343 N344 A345 L349 K350 T351 | V343-D347 HydrophobicContact CG1-CB 4.06Å; N344-D347 PolarHBondContact O-N 3.25Å; A345-D347 VanDerWaalsContact C-N 3.28Å; A345-D347 PolarHBondContact O-N 2.77Å; D347-L349 VanDerWaalsContact C-N 3.32Å; D347-K350 PolarHBondContact O-N 3Å; D347-K350 WeakPolarHBondContact OD1-CD 3.31Å; D347-K350 WeakPolarHBondContact OD1-CE 3.45Å; D347-K350 IonicContact OD1-NZ 3.29Å; D347-K350 PolarHBondContact OD1-NZ 2.78Å; D347-T351 WeakPolarHBondContact O-CB 3.4Å; D347-T351 PolarHBondContact O-N 3.47Å; D347-T351 PolarHBondContact O-OG1 2.74Å |
| 348 | L | 64 | Low | 52.6 | Low | 100 Ų | 100 | 116.6 Ų | 116.6 | 52% | 0.524 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.3 | -40.3 | 167.4 | -71.4 | 170.7 | 0 | 0 | 0 | 110.6 | V343 A345 T351 L352 | V343-L348 HydrophobicContact CG1-CD2 4.31Å; V343-L348 HydrophobicContact CG1-CG 3.96Å; A345-L348 PolarHBondContact O-N 3.35Å; L348-T351 WeakPolarHBondContact O-CB 3.46Å; L348-T351 PolarHBondContact O-N 2.73Å; L348-L352 WeakPolarHBondContact O-CD1 3.49Å; L348-L352 PolarHBondContact O-N 3.01Å |
| 349 | L | 64.3 | Low | 52.9 | Low | 107 Ų | 107 | 114.4 Ų | 114.4 | 56% | 0.56 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.2 | -37.5 | 175.3 | -82.3 | 158.2 | 0 | 0 | 0 | 113.1 | A345 D347 T351 L352 T353 | A345-L349 PolarHBondContact O-N 3.42Å; D347-L349 VanDerWaalsContact C-N 3.32Å; L349-T351 VanDerWaalsContact C-N 3.32Å; L349-L352 PolarHBondContact O-N 3.21Å; L349-T353 WeakPolarHBondContact O-CB 3.47Å; L349-T353 WeakPolarHBondContact O-CG2 3.41Å; L349-T353 PolarHBondContact O-N 3.28Å; L349-T353 PolarHBondContact O-OG1 2.93Å |
| 350 | K | 57.3 | Low | 54.1 | Low | 126 Ų | 126 | 110.2 Ų | 110.2 | 55% | 0.548 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.6 | -39.8 | 168.8 | -72.1 | 171.7 | -156.2 | 156.6 | 0 | 112 | D346 D347 T353 S354 | D346-K350 WeakPolarHBondContact O-CG 3.34Å; D346-K350 PolarHBondContact O-N 2.99Å; D347-K350 PolarHBondContact O-N 3Å; D347-K350 WeakPolarHBondContact OD1-CD 3.31Å; D347-K350 WeakPolarHBondContact OD1-CE 3.45Å; D347-K350 IonicContact OD1-NZ 3.29Å; D347-K350 PolarHBondContact OD1-NZ 2.78Å; K350-T353 WeakPolarHBondContact CA-OG1 3.47Å; K350-T353 PolarHBondContact O-N 3.43Å; K350-T353 PolarHBondContact O-OG1 3.33Å; K350-S354 VanDerWaalsContact O-CB 3.31Å; K350-S354 WeakPolarHBondContact O-CB 3.41Å; K350-S354 PolarHBondContact O-N 3.01Å |
| 351 | T | 53.2 | Low | 56 | Low | 93 Ų | 93 | 110 Ų | 110 | 57% | 0.571 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.8 | -41.4 | 178.2 | -55 | 0 | 0 | 0 | 0 | 111.8 | D347 L348 L349 | D347-T351 WeakPolarHBondContact O-CB 3.4Å; D347-T351 PolarHBondContact O-N 3.47Å; D347-T351 PolarHBondContact O-OG1 2.74Å; L348-T351 WeakPolarHBondContact O-CB 3.46Å; L348-T351 PolarHBondContact O-N 2.73Å; L349-T351 VanDerWaalsContact C-N 3.32Å |
| 352 | L | 52.3 | Low | 57.6 | Low | 139 Ų | 139 | 111.9 Ų | 111.9 | 73% | 0.728 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.5 | -31.7 | 176.2 | -95.7 | 84 | 0 | 0 | 0 | 114.2 | L348 L349 | L348-L352 WeakPolarHBondContact O-CD1 3.49Å; L348-L352 PolarHBondContact O-N 3.01Å; L349-L352 PolarHBondContact O-N 3.21Å |
| 353 | T | 49.5 | Very low | 58.8 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 64% | 0.644 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -79.8 | -27 | 178.4 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | L349 K350 N355 | L349-T353 WeakPolarHBondContact O-CB 3.47Å; L349-T353 WeakPolarHBondContact O-CG2 3.41Å; L349-T353 PolarHBondContact O-N 3.28Å; L349-T353 PolarHBondContact O-OG1 2.93Å; K350-T353 WeakPolarHBondContact CA-OG1 3.47Å; K350-T353 PolarHBondContact O-N 3.43Å; K350-T353 PolarHBondContact O-OG1 3.33Å; T353-N355 PolarHBondContact O-N 3.28Å; T353-N355 VanDerWaalsContact O-N 3.09Å; T353-N355 PolarHBondContact O-ND2 2.94Å |
| 354 | S | 44 | Very low | 60.1 | Low | 64 Ų | 64 | 111.4 Ų | 111.4 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -66.1 | 103 | 167.7 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | K350 Q356 | K350-S354 VanDerWaalsContact O-CB 3.31Å; K350-S354 WeakPolarHBondContact O-CB 3.41Å; K350-S354 PolarHBondContact O-N 3.01Å; S354-Q356 PolarHBondContact O-N 3.48Å |
| 355 | N | 44.8 | Very low | 61.5 | Low | 148 Ų | 148 | 111.2 Ų | 111.2 | 79% | 0.791 | 59% | 0.591 | S | S | * | * | trans | -73.7 | 70.9 | 169.6 | -85.8 | -108 | 0 | 0 | 0 | 110.1 | T353 | T353-N355 PolarHBondContact O-N 3.28Å; T353-N355 VanDerWaalsContact O-N 3.09Å; T353-N355 PolarHBondContact O-ND2 2.94Å | ||
| 356 | Q | 50.4 | Low | 62.8 | Low | 124 Ų | 124 | 113.1 Ų | 113.1 | 58% | 0.579 | 59% | 0.593 | S | S | * | * | trans | -110.6 | 117.6 | 163.6 | -70.4 | -62.2 | -86.9 | 0 | 0 | 108.2 | S354 F358 | S354-Q356 PolarHBondContact O-N 3.48Å; Q356-F358 PolarHBondContact O-N 2.91Å | ||
| 357 | P | 47.1 | Very low | 64 | Low | 106 Ų | 106 | 113.9 Ų | 113.9 | 69% | 0.688 | 59% | 0.593 | S | S | * | * | trans | -60.6 | 137.2 | 170.5 | 28.5 | -33.5 | 0 | 0 | 0 | 107.7 | K359 | P357-K359 PolarHBondContact O-N 3.01Š| ||
| 358 | F | 47.2 | Very low | 65.3 | Low | 206 Ų | 206 | 113.8 Ų | 113.8 | 90% | 0.904 | 59% | 0.592 | S | S | * | * | trans | -49.6 | 99.4 | -174.6 | -61.1 | -87.4 | 0 | 0 | 0 | 111.4 | Q356 I360 | Q356-F358 PolarHBondContact O-N 2.91Å; F358-I360 PolarHBondContact O-N 3.39Å | ||
| 359 | K | 53.3 | Low | 66.6 | Low | 160 Ų | 160 | 114 Ų | 114 | 70% | 0.696 | 59% | 0.592 | S | S | * | * | trans | -71.8 | 90.6 | 159.2 | -72.4 | -179 | 178.1 | 176.6 | 0 | 105.3 | P357 D361 | P357-K359 PolarHBondContact O-N 3.01Å; K359-D361 VanDerWaalsContact C-N 3.28Å; K359-D361 PolarHBondContact O-N 2.9Å | ||
| 360 | I | 72.6 | Confident | 67.7 | Low | 83 Ų | 83 | 114.8 Ų | 114.8 | 43% | 0.426 | 59% | 0.592 | S | S | . | * | trans | -53.7 | 105.2 | 152.5 | -176.9 | 76.6 | 0 | 0 | 0 | 104.8 | F358 L362 E364 L365 I368 | F358-I360 PolarHBondContact O-N 3.39Å; I360-L362 PolarHBondContact O-N 3.37Å; I360-E364 HydrophobicContact CD1-CB 4.43Å; I360-E364 HydrophobicContact CD1-CG 4.06Å; I360-E364 WeakPolarHBondContact CD1-OE2 3.36Å; I360-L365 HydrophobicContact CG1-CB 4.08Å; I360-I368 HydrophobicContact CD1-CD1 4.37Å | ||
| 361 | D | 79.8 | Confident | 69.1 | Low | 97 Ų | 97 | 112.9 Ų | 112.9 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | trans | -65.2 | 138.1 | -175 | -102.7 | -23.5 | 0 | 0 | 0 | 107.4 | K359 T363 E364 L365 | K359-D361 VanDerWaalsContact C-N 3.28Å; K359-D361 PolarHBondContact O-N 2.9Å; D361-T363 PolarHBondContact O-N 2.8Å; D361-E364 HydrophobicContact CB-CB 4.49Å; D361-E364 WeakPolarHBondContact O-CA 3.45Å; D361-E364 WeakPolarHBondContact O-CB 3.49Å; D361-E364 PolarHBondContact O-N 3.04Å; D361-L365 PolarHBondContact O-N 3.07Å | ||
| 362 | L | 78.2 | Confident | 70.5 | Confident | 140 Ų | 140 | 115.4 Ų | 115.4 | 73% | 0.733 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61 | -26.1 | -171.9 | -88.1 | 64.4 | 0 | 0 | 0 | 111.7 | I360 D366 | I360-L362 PolarHBondContact O-N 3.37Å; L362-D366 VanDerWaalsContact O-CB 3.24Å; L362-D366 WeakPolarHBondContact O-CB 3.29Å; L362-D366 PolarHBondContact O-N 2.69Å |
| 363 | T | 75.6 | Confident | 72 | Confident | 110 Ų | 110 | 114.6 Ų | 114.6 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.3 | -29.8 | 171 | 45.8 | 0 | 0 | 0 | 0 | 114.4 | D361 H367 | D361-T363 PolarHBondContact O-N 2.8Å; T363-H367 WeakPolarHBondContact O-CB 3.24Å; T363-H367 PolarHBondContact O-N 2.81Å |
| 364 | E | 86 | Confident | 72.6 | Confident | 107 Ų | 107 | 112 Ų | 112 | 50% | 0.5 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.4 | -42.8 | 171.9 | -176.8 | 176.8 | -154 | 0 | 0 | 110.1 | I360 D361 H367 I368 | I360-E364 HydrophobicContact CD1-CB 4.43Å; I360-E364 HydrophobicContact CD1-CG 4.06Å; I360-E364 WeakPolarHBondContact CD1-OE2 3.36Å; D361-E364 HydrophobicContact CB-CB 4.49Å; D361-E364 WeakPolarHBondContact O-CA 3.45Å; D361-E364 WeakPolarHBondContact O-CB 3.49Å; D361-E364 PolarHBondContact O-N 3.04Å; E364-H367 PolarHBondContact O-N 2.93Å; E364-I368 HydrophobicContact CG-CD1 4Å; E364-I368 WeakPolarHBondContact O-CB 3.45Å; E364-I368 VanDerWaalsContact O-CG1 3.25Å; E364-I368 WeakPolarHBondContact O-CG1 3.47Å; E364-I368 PolarHBondContact O-N 3.07Å |
| 365 | L | 88.9 | Confident | 72.9 | Confident | 91 Ų | 91 | 118 Ų | 118 | 48% | 0.476 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.9 | -41.2 | 175.5 | -176.3 | 60.9 | 0 | 0 | 0 | 112.5 | I360 D361 I368 M369 | I360-L365 HydrophobicContact CG1-CB 4.08Å; D361-L365 PolarHBondContact O-N 3.07Å; L365-I368 PolarHBondContact O-N 2.71Å; L365-M369 WeakPolarHBondContact O-CB 3.25Å; L365-M369 PolarHBondContact O-N 3.32Å |
| 366 | D | 86.5 | Confident | 74.3 | Confident | 100 Ų | 100 | 116.6 Ų | 116.6 | 54% | 0.535 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.4 | -41.4 | 176.4 | -162.8 | 49.8 | 0 | 0 | 0 | 111.2 | L362 M369 E370 | L362-D366 VanDerWaalsContact O-CB 3.24Å; L362-D366 WeakPolarHBondContact O-CB 3.29Å; L362-D366 PolarHBondContact O-N 2.69Å; D366-M369 WeakPolarHBondContact O-CB 3.24Å; D366-M369 PolarHBondContact O-N 2.92Å; D366-M369 VanDerWaalsContact OD1-CE 3.24Å; D366-M369 WeakPolarHBondContact OD1-CE 3.37Å; D366-E370 WeakPolarHBondContact O-CB 3.42Å; D366-E370 PolarHBondContact O-N 3.18Å |
| 367 | H | 88.1 | Confident | 75.6 | Confident | 108 Ų | 108 | 116.2 Ų | 116.2 | 50% | 0.5 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.5 | -37.2 | 174.6 | -174.3 | 51.6 | 0 | 0 | 0 | 113.2 | T363 E364 M369 E370 V371 | T363-H367 WeakPolarHBondContact O-CB 3.24Å; T363-H367 PolarHBondContact O-N 2.81Å; E364-H367 PolarHBondContact O-N 2.93Å; H367-M369 VanDerWaalsContact C-N 3.3Å; H367-M369 PolarHBondContact O-N 3.4Å; H367-E370 IonicContact CE1-OE2 3.7Å; H367-E370 IonicContact ND1-OE2 2.91Å; H367-E370 PolarHBondContact ND1-OE2 3.45Å; H367-E370 WeakPolarHBondContact O-CB 3.27Å; H367-E370 PolarHBondContact O-N 3.15Å; H367-V371 WeakPolarHBondContact O-CG2 3.43Å; H367-V371 PolarHBondContact O-N 3Å |
| 368 | I | 88.1 | Confident | 77.2 | Confident | 76 Ų | 76 | 116.7 Ų | 116.7 | 39% | 0.39 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.5 | -40.2 | 172.1 | -71.4 | 164.2 | 0 | 0 | 0 | 110.5 | I360 E364 L365 L372 | I360-I368 HydrophobicContact CD1-CD1 4.37Å; E364-I368 HydrophobicContact CG-CD1 4Å; E364-I368 WeakPolarHBondContact O-CB 3.45Å; E364-I368 VanDerWaalsContact O-CG1 3.25Å; E364-I368 WeakPolarHBondContact O-CG1 3.47Å; E364-I368 PolarHBondContact O-N 3.07Å; L365-I368 PolarHBondContact O-N 2.71Å; I368-L372 HydrophobicContact CG2-CD1 3.95Å; I368-L372 WeakPolarHBondContact O-CB 3.39Å; I368-L372 VanDerWaalsContact O-CG 3.29Å; I368-L372 WeakPolarHBondContact O-CG 3.43Å; I368-L372 PolarHBondContact O-N 3.33Å; I368-L372 VanDerWaalsContact O-N 3.15Å |
| 369 | M | 90.5 | Very high | 78.9 | Confident | 104 Ų | 104 | 111.5 Ų | 111.5 | 51% | 0.512 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.7 | -43.6 | 174.5 | -177.1 | 178.2 | 63.2 | 0 | 0 | 111.8 | L365 D366 H367 V371 L372 V373 | L365-M369 WeakPolarHBondContact O-CB 3.25Å; L365-M369 PolarHBondContact O-N 3.32Å; D366-M369 WeakPolarHBondContact O-CB 3.24Å; D366-M369 PolarHBondContact O-N 2.92Å; D366-M369 VanDerWaalsContact OD1-CE 3.24Å; D366-M369 WeakPolarHBondContact OD1-CE 3.37Å; H367-M369 VanDerWaalsContact C-N 3.3Å; H367-M369 PolarHBondContact O-N 3.4Å; M369-V371 PolarHBondContact O-N 2.81Å; M369-L372 PolarHBondContact O-N 3.17Å; M369-V373 HydrophobicContact CG-CG2 4.08Å; M369-V373 VanDerWaalsContact O-CB 3.3Å; M369-V373 WeakPolarHBondContact O-CB 3.48Å; M369-V373 VanDerWaalsContact O-CG2 3.27Å; M369-V373 WeakPolarHBondContact O-CG2 3.41Å; M369-V373 PolarHBondContact O-N 2.87Å |
| 370 | E | 87.5 | Confident | 80.5 | Confident | 123 Ų | 123 | 108.4 Ų | 108.4 | 58% | 0.575 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -54.5 | -49.8 | 175.2 | -176.9 | -173.5 | -150.7 | 0 | 0 | 111.2 | D366 H367 L372 V373 G374 | D366-E370 WeakPolarHBondContact O-CB 3.42Å; D366-E370 PolarHBondContact O-N 3.18Å; H367-E370 IonicContact CE1-OE2 3.7Å; H367-E370 IonicContact ND1-OE2 2.91Å; H367-E370 PolarHBondContact ND1-OE2 3.45Å; H367-E370 WeakPolarHBondContact O-CB 3.27Å; H367-E370 PolarHBondContact O-N 3.15Å; E370-L372 VanDerWaalsContact C-N 3.32Å; E370-L372 PolarHBondContact O-N 3.37Å; E370-V373 PolarHBondContact O-N 2.86Å; E370-G374 WeakPolarHBondContact O-CA 3.3Å; E370-G374 PolarHBondContact O-N 2.91Å |
| 371 | V | 86.9 | Confident | 81.1 | Confident | 86 Ų | 86 | 110.1 Ų | 110.1 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.5 | -32.3 | 178.8 | 172.4 | 0 | 0 | 0 | 0 | 112.7 | H367 M369 | H367-V371 WeakPolarHBondContact O-CG2 3.43Å; H367-V371 PolarHBondContact O-N 3Å; M369-V371 PolarHBondContact O-N 2.81Å |
| 372 | L | 83.5 | Confident | 81.2 | Confident | 146 Ų | 146 | 111.1 Ų | 111.1 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -83.3 | -18.1 | 178.7 | -72.1 | 171.5 | 0 | 0 | 0 | 114.1 | I368 M369 E370 | I368-L372 HydrophobicContact CG2-CD1 3.95Å; I368-L372 WeakPolarHBondContact O-CB 3.39Å; I368-L372 VanDerWaalsContact O-CG 3.29Å; I368-L372 WeakPolarHBondContact O-CG 3.43Å; I368-L372 PolarHBondContact O-N 3.33Å; I368-L372 VanDerWaalsContact O-N 3.15Å; M369-L372 PolarHBondContact O-N 3.17Å; E370-L372 VanDerWaalsContact C-N 3.32Å; E370-L372 PolarHBondContact O-N 3.37Å |
| 373 | V | 83.1 | Confident | 81.4 | Confident | 122 Ų | 122 | 108.8 Ų | 108.8 | 74% | 0.739 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -110.2 | -19.4 | -176.5 | 177.4 | 0 | 0 | 0 | 0 | 112.4 | M369 E370 | M369-V373 HydrophobicContact CG-CG2 4.08Å; M369-V373 VanDerWaalsContact O-CB 3.3Å; M369-V373 WeakPolarHBondContact O-CB 3.48Å; M369-V373 VanDerWaalsContact O-CG2 3.27Å; M369-V373 WeakPolarHBondContact O-CG2 3.41Å; M369-V373 PolarHBondContact O-N 2.87Å; E370-V373 PolarHBondContact O-N 2.86Å |
| 374 | G | 62.1 | Low | 81.9 | Confident | 51 Ų | 51 | 108.8 Ų | 108.8 | 53% | 0.526 | 62% | 0.615 | S | S | . | * | trans | -128 | 80.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E370 | E370-G374 WeakPolarHBondContact O-CA 3.3Å; E370-G374 PolarHBondContact O-N 2.91Å | ||
| 375 | S | 51.2 | Low | 81.5 | Confident | 191 Ų | 191 | 108.9 Ų | 108.9 | 100% | 1.336 | 63% | 0.625 | S | S | * | * | trans | -155 | 0 | 159.2 | -77 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 375 of 375 residues in 42.3 ms
(Link to these results)