| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.1 | Very low | 47.9 | Very low | 235 Ų | 235 | 142.6 Ų | 142.6 | 100% | 1.158 | 85% | 0.848 | S | S | * | * | 0 | 129.6 | 0 | -68.5 | -171.8 | 77.8 | 0 | 0 | 108.2 | |||||
| 2 | S | 39.8 | Very low | 48.3 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | trans | 59.9 | 104.3 | 162.9 | -58.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 3 | S | 45 | Very low | 49.1 | Very low | 114 Ų | 114 | 153.7 Ų | 153.7 | 80% | 0.797 | 85% | 0.851 | S | S | * | * | trans | -32.6 | -175.5 | 146.6 | -33.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 4 | P | 54.7 | Low | 49.6 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | cis | -136.2 | 162.4 | -36.4 | 26.8 | -5.5 | 0 | 0 | 0 | 114.7 | ||||
| 5 | L | 45.4 | Very low | 49.3 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 97% | 0.969 | 84% | 0.84 | S | S | * | * | trans | -84.3 | 114.2 | 162.5 | -86.8 | 159.4 | 0 | 0 | 0 | 110.2 | ||||
| 6 | A | 47.8 | Very low | 49.8 | Very low | 94 Ų | 94 | 150.6 Ų | 150.6 | 78% | 0.777 | 84% | 0.842 | S | S | * | * | trans | -118.9 | 114.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 7 | S | 53.1 | Low | 49.7 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | trans | -135.2 | 87.2 | 167.7 | -164.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | L | 53.2 | Low | 49.6 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 81% | 0.806 | 84% | 0.837 | S | S | * | * | trans | 40.2 | 91 | 134.3 | -62.6 | 165.8 | 0 | 0 | 0 | 118 | K10 | L8-K10 PolarHBondContact O-N 2.9Å; L8-K10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | S | 44.5 | Very low | 49.5 | Very low | 116 Ų | 116 | 149 Ų | 149 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | -70.4 | 98.1 | 153.3 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | T11 | S9-T11 PolarHBondContact O-N 3.31Š| ||
| 10 | K | 48.9 | Very low | 49.5 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -92.9 | 83.4 | 177.2 | -154.3 | 152.2 | -172.6 | 169.6 | 0 | 109.8 | L8 R12 | L8-K10 PolarHBondContact O-N 2.9Å; L8-K10 VanDerWaalsContact O-N 3.16Å; K10-R12 PolarHBondContact O-N 3.24Å | ||
| 11 | T | 53.3 | Low | 49 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 78% | 0.779 | 84% | 0.839 | S | S | * | * | trans | -71.8 | 105 | 168 | 45.2 | 0 | 0 | 0 | 0 | 109 | S9 K13 | S9-T11 PolarHBondContact O-N 3.31Å; T11-K13 PolarHBondContact O-N 2.89Å; T11-K13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | R | 53.3 | Low | 49.3 | Very low | 236 Ų | 236 | 145.4 Ų | 145.4 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -75.1 | 100.1 | 173.5 | -159.3 | 177.6 | -162.9 | 174.3 | 3.6 | 107.9 | K10 V14 | K10-R12 PolarHBondContact O-N 3.24Å; R12-V14 PolarHBondContact O-N 3.13Å | ||
| 13 | K | 57.9 | Low | 49.9 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.8 | 167.7 | -78.3 | -177.9 | 174.5 | -179.2 | 0 | 108.9 | T11 | T11-K13 PolarHBondContact O-N 2.89Å; T11-K13 VanDerWaalsContact O-N 3.14Å |
| 14 | V | 56.2 | Low | 49.8 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 127.3 | 170.6 | 176.6 | 0 | 0 | 0 | 0 | 108.2 | R12 | R12-V14 PolarHBondContact O-N 3.13Š|
| 15 | P | 45.8 | Very low | 49.3 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 126.3 | 173.4 | -15.3 | 30.3 | 0 | 0 | 0 | 110.8 | ||
| 16 | L | 56.8 | Low | 49.4 | Very low | 165 Ų | 165 | 149.7 Ų | 149.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 140.1 | 165 | -67.5 | 170 | 0 | 0 | 0 | 109.3 | ||
| 17 | P | 49 | Very low | 49.4 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 132.5 | 174.2 | 27.1 | -30.8 | 0 | 0 | 0 | 111 | ||
| 18 | S | 46.9 | Very low | 49 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 132.7 | 175.8 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 19 | E | 47.7 | Very low | 49.1 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 143.2 | 163.8 | -78.3 | 179 | 137.6 | 0 | 0 | 111.5 | M21 | E19-M21 PolarHBondContact O-N 3.3Š|
| 20 | P | 49.1 | Very low | 49.4 | Very low | 117 Ų | 117 | 155.2 Ų | 155.2 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -78.1 | 115.4 | 168.3 | 29.5 | -29.8 | 0 | 0 | 0 | 111.1 | N22 | P20-N22 PolarHBondContact O-N 2.94Š| ||
| 21 | M | 39 | Very low | 49.7 | Very low | 190 Ų | 190 | 156.3 Ų | 156.3 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 119.7 | 166.4 | -163.8 | 165.9 | 93 | 0 | 0 | 110 | E19 | E19-M21 PolarHBondContact O-N 3.3Š|
| 22 | N | 47.9 | Very low | 49.2 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 127.5 | 175.3 | -118.5 | -42.9 | 0 | 0 | 0 | 110 | P20 | P20-N22 PolarHBondContact O-N 2.94Š|
| 23 | P | 52.3 | Low | 49.1 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 138.7 | 175.3 | 33.7 | -30.1 | 0 | 0 | 0 | 110.3 | ||
| 24 | G | 43.3 | Very low | 48.7 | Very low | 78 Ų | 78 | 146.9 Ų | 146.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 167.2 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 25 | R | 44.3 | Very low | 48.6 | Very low | 214 Ų | 214 | 143.9 Ų | 143.9 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -150.5 | 113.7 | 155 | -129.4 | 178.4 | -165.7 | -111.6 | 5.4 | 110.6 | ||||
| 26 | R | 48.2 | Very low | 49.2 | Very low | 217 Ų | 217 | 142.3 Ų | 142.3 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | 33 | 127.5 | 142.9 | -68.7 | 178.1 | -115.3 | -153.8 | -3.7 | 119 | ||||
| 27 | G | 47.3 | Very low | 49.5 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -78.8 | 172.1 | -173 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 28 | I | 43.5 | Very low | 50.5 | Low | 154 Ų | 154 | 137.2 Ų | 137.2 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -161 | 126.1 | 152.4 | -90.9 | 143.1 | 0 | 0 | 0 | 104.5 | I30 | I28-I30 HydrophobicContact CG2-CD1 4.06Å; I28-I30 HydrophobicContact CG2-CG1 3.77Å | ||
| 29 | R | 56.3 | Low | 52.1 | Low | 224 Ų | 224 | 137 Ų | 137 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | -82 | 120.9 | 169.7 | -70.7 | -175.7 | -171 | -116.7 | 2.2 | 107.9 | ||||
| 30 | I | 50.1 | Low | 53.9 | Low | 144 Ų | 144 | 132.1 Ų | 132.1 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | -133.7 | 117.8 | 159.7 | -63.3 | -174.1 | 0 | 0 | 0 | 106.2 | I28 G32 | I28-I30 HydrophobicContact CG2-CD1 4.06Å; I28-I30 HydrophobicContact CG2-CG1 3.77Å; I30-G32 PolarHBondContact O-N 3.35Å | ||
| 31 | Y | 55.2 | Low | 55.8 | Low | 216 Ų | 216 | 132.4 Ų | 132.4 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | trans | -66.3 | 115.8 | 167.8 | -71.3 | -97.5 | 0 | 0 | 0 | 107.4 | ||||
| 32 | G | 42.5 | Very low | 58.3 | Low | 65 Ų | 65 | 127.7 Ų | 127.7 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | trans | -172.8 | 111.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I30 | I30-G32 PolarHBondContact O-N 3.35Š| ||
| 33 | D | 51.9 | Low | 60.4 | Low | 162 Ų | 162 | 125.8 Ų | 125.8 | 87% | 0.866 | 68% | 0.684 | S | S | * | * | trans | 32.1 | 100.8 | 161.6 | -108.4 | -7.3 | 0 | 0 | 0 | 117.6 | P35 | D33-P35 WeakPolarHBondContact O-CD 2.85Š| ||
| 34 | V | 50.4 | Low | 62.3 | Low | 131 Ų | 131 | 122.9 Ų | 122.9 | 79% | 0.794 | 67% | 0.669 | S | S | * | * | trans | -70.4 | 122.5 | 160.4 | 175.5 | 0 | 0 | 0 | 0 | 107.1 | A36 | V34-A36 PolarHBondContact O-N 3.32Š| ||
| 35 | P | 52.6 | Low | 64.7 | Low | 64 Ų | 64 | 124.9 Ų | 124.9 | 42% | 0.416 | 66% | 0.656 | S | S | . | * | trans | -70.6 | 108.6 | 176.1 | -9 | 25.7 | 0 | 0 | 0 | 107.5 | D33 S37 H38 | D33-P35 WeakPolarHBondContact O-CD 2.85Å; P35-S37 VanDerWaalsContact CB-OG 3.27Å; P35-S37 WeakPolarHBondContact CB-OG 3.47Å; P35-S37 PolarHBondContact O-N 3.47Å; P35-H38 PolarHBondContact O-N 3.38Å | ||
| 36 | A | 59 | Low | 67.2 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 71% | 0.711 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -56.2 | -10.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V34 S40 | V34-A36 PolarHBondContact O-N 3.32Å; A36-S40 PolarHBondContact O-N 3.03Å |
| 37 | S | 62.3 | Low | 69.3 | Low | 64 Ų | 64 | 112.9 Ų | 112.9 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.7 | -35.5 | 175.7 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | P35 D39 S40 E41 | P35-S37 VanDerWaalsContact CB-OG 3.27Å; P35-S37 WeakPolarHBondContact CB-OG 3.47Å; P35-S37 PolarHBondContact O-N 3.47Å; S37-D39 PolarHBondContact O-N 2.93Å; S37-S40 WeakPolarHBondContact O-CB 3.25Å; S37-S40 PolarHBondContact O-N 3.38Å; S37-E41 WeakPolarHBondContact O-CG 3.42Å; S37-E41 PolarHBondContact O-N 3.13Å |
| 38 | H | 70.6 | Confident | 71.6 | Confident | 118 Ų | 118 | 117.4 Ų | 117.4 | 55% | 0.546 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69.8 | -36.3 | -178.3 | -74.3 | -51.4 | 0 | 0 | 0 | 112.6 | P35 S40 E41 L42 | P35-H38 PolarHBondContact O-N 3.38Å; H38-S40 VanDerWaalsContact C-N 3.31Å; H38-E41 IonicContact ND1-OE2 3.96Å; H38-E41 PolarHBondContact O-N 3.27Å; H38-L42 WeakPolarHBondContact O-CB 3.35Å; H38-L42 PolarHBondContact O-N 3.48Å |
| 39 | D | 80.5 | Confident | 74.2 | Confident | 111 Ų | 111 | 115 Ų | 115 | 59% | 0.594 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.2 | -34.9 | 175.5 | -148.1 | 26.2 | 0 | 0 | 0 | 110.5 | S37 M43 | S37-D39 PolarHBondContact O-N 2.93Å; D39-M43 VanDerWaalsContact O-CB 3.32Å; D39-M43 WeakPolarHBondContact O-CB 3.23Å; D39-M43 WeakPolarHBondContact O-CG 3.44Å; D39-M43 PolarHBondContact O-N 3.03Å |
| 40 | S | 85.3 | Confident | 76.1 | Confident | 80 Ų | 80 | 109.6 Ų | 109.6 | 56% | 0.559 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.9 | -42.6 | 174 | -177.3 | 0 | 0 | 0 | 0 | 113.2 | A36 S37 H38 M43 A44 | A36-S40 PolarHBondContact O-N 3.03Å; S37-S40 WeakPolarHBondContact O-CB 3.25Å; S37-S40 PolarHBondContact O-N 3.38Å; H38-S40 VanDerWaalsContact C-N 3.31Å; S40-M43 PolarHBondContact O-N 3.3Å; S40-A44 WeakPolarHBondContact O-CB 3.49Å; S40-A44 PolarHBondContact O-N 2.88Å |
| 41 | E | 88.5 | Confident | 78.4 | Confident | 124 Ų | 124 | 109.5 Ų | 109.5 | 58% | 0.579 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.9 | -40.8 | 176.3 | -73.1 | 173.5 | -175.5 | 0 | 0 | 112 | S37 H38 A44 F45 | S37-E41 WeakPolarHBondContact O-CG 3.42Å; S37-E41 PolarHBondContact O-N 3.13Å; H38-E41 IonicContact ND1-OE2 3.96Å; H38-E41 PolarHBondContact O-N 3.27Å; E41-A44 PolarHBondContact O-N 3.34Å; E41-F45 PolarHBondContact O-N 3.44Å |
| 42 | L | 92.4 | Very high | 80.4 | Confident | 91 Ų | 91 | 102.5 Ų | 102.5 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.2 | -45.7 | 174.4 | 178.6 | 62 | 0 | 0 | 0 | 111.2 | H38 A44 F45 M46 | H38-L42 WeakPolarHBondContact O-CB 3.35Å; H38-L42 PolarHBondContact O-N 3.48Å; L42-A44 VanDerWaalsContact C-N 3.35Å; L42-A44 PolarHBondContact O-N 3.38Å; L42-F45 PolarHBondContact O-N 2.84Å; L42-M46 HydrophobicContact CD1-CG 4.3Å; L42-M46 HydrophobicContact CD1-SD 4.34Å; L42-M46 HydrophobicContact CG-SD 4.2Å; L42-M46 WeakPolarHBondContact O-CB 3.44Å; L42-M46 WeakPolarHBondContact O-CG 3.4Å; L42-M46 PolarHBondContact O-N 3.01Å |
| 43 | M | 91.2 | Very high | 83 | Confident | 110 Ų | 110 | 104.1 Ų | 104.1 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -37.6 | 176.8 | -70.3 | -68.9 | -79 | 0 | 0 | 111.9 | D39 S40 M46 T47 | D39-M43 VanDerWaalsContact O-CB 3.32Å; D39-M43 WeakPolarHBondContact O-CB 3.23Å; D39-M43 WeakPolarHBondContact O-CG 3.44Å; D39-M43 PolarHBondContact O-N 3.03Å; S40-M43 PolarHBondContact O-N 3.3Å; M43-M46 PolarHBondContact O-N 2.68Å; M43-T47 WeakPolarHBondContact O-CB 3.29Å; M43-T47 VanDerWaalsContact O-CG2 3.25Å; M43-T47 WeakPolarHBondContact O-CG2 3.3Å; M43-T47 PolarHBondContact O-N 2.94Å; M43-T47 PolarHBondContact O-OG1 2.96Å |
| 44 | A | 92.1 | Very high | 85.2 | Confident | 55 Ų | 55 | 100.9 Ų | 100.9 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S40 E41 L42 T47 R48 | S40-A44 WeakPolarHBondContact O-CB 3.49Å; S40-A44 PolarHBondContact O-N 2.88Å; E41-A44 PolarHBondContact O-N 3.34Å; L42-A44 VanDerWaalsContact C-N 3.35Å; L42-A44 PolarHBondContact O-N 3.38Å; A44-T47 WeakPolarHBondContact CA-OG1 3.42Å; A44-T47 PolarHBondContact O-OG1 3.24Å; A44-R48 WeakPolarHBondContact O-CB 3.45Å; A44-R48 PolarHBondContact O-N 3.5Å |
| 45 | F | 95.4 | Very high | 87.4 | Confident | 121 Ų | 121 | 98.4 Ų | 98.4 | 53% | 0.531 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 174.5 | 177.9 | -97.6 | 0 | 0 | 0 | 112.3 | E41 L42 R48 K49 | E41-F45 PolarHBondContact O-N 3.44Å; L42-F45 PolarHBondContact O-N 2.84Å; F45-R48 WeakPolarHBondContact O-CB 3.39Å; F45-R48 PolarHBondContact O-N 3.34Å; F45-K49 HydrophobicContact CD1-CG 4.15Å; F45-K49 HydrophobicContact CE1-CG 3.74Å; F45-K49 HydrophobicContact CE2-CG 4.27Å; F45-K49 HydrophobicContact CZ-CD 4.18Å; F45-K49 HydrophobicContact CZ-CG 3.82Å; F45-K49 WeakPolarHBondContact O-CG 3.42Å; F45-K49 PolarHBondContact O-N 2.91Å |
| 46 | M | 95.4 | Very high | 89.6 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 178.1 | -72.1 | -176 | 72.6 | 0 | 0 | 111.9 | L42 M43 R48 K49 L50 | L42-M46 HydrophobicContact CD1-CG 4.3Å; L42-M46 HydrophobicContact CD1-SD 4.34Å; L42-M46 HydrophobicContact CG-SD 4.2Å; L42-M46 WeakPolarHBondContact O-CB 3.44Å; L42-M46 WeakPolarHBondContact O-CG 3.4Å; L42-M46 PolarHBondContact O-N 3.01Å; M43-M46 PolarHBondContact O-N 2.68Å; M46-R48 VanDerWaalsContact C-N 3.35Å; M46-K49 PolarHBondContact O-N 3.38Å; M46-L50 WeakPolarHBondContact O-CB 3.01Å; M46-L50 VanDerWaalsContact O-CG 3.32Å; M46-L50 WeakPolarHBondContact O-CG 3.45Å; M46-L50 PolarHBondContact O-N 3.41Å |
| 47 | T | 93.8 | Very high | 91.4 | Very high | 82 Ų | 82 | 100.4 Ų | 100.4 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | M43 A44 L50 W51 | M43-T47 WeakPolarHBondContact O-CB 3.29Å; M43-T47 VanDerWaalsContact O-CG2 3.25Å; M43-T47 WeakPolarHBondContact O-CG2 3.3Å; M43-T47 PolarHBondContact O-N 2.94Å; M43-T47 PolarHBondContact O-OG1 2.96Å; A44-T47 WeakPolarHBondContact CA-OG1 3.42Å; A44-T47 PolarHBondContact O-OG1 3.24Å; T47-L50 PolarHBondContact O-N 2.96Å; T47-W51 WeakPolarHBondContact O-CB 3.4Å; T47-W51 PolarHBondContact O-N 3.31Å |
| 48 | R | 95.3 | Very high | 93.1 | Very high | 167 Ų | 167 | 101.5 Ų | 101.5 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 171.7 | -169.3 | 76.8 | -175 | -162.6 | 1.1 | 111.9 | A44 F45 M46 W51 D52 | A44-R48 WeakPolarHBondContact O-CB 3.45Å; A44-R48 PolarHBondContact O-N 3.5Å; F45-R48 WeakPolarHBondContact O-CB 3.39Å; F45-R48 PolarHBondContact O-N 3.34Å; M46-R48 VanDerWaalsContact C-N 3.35Å; R48-W51 WeakPolarHBondContact O-CB 3.46Å; R48-W51 PolarHBondContact O-N 2.77Å; R48-D52 VanDerWaalsContact O-CG 3.28Å; R48-D52 PolarHBondContact O-N 3.01Å |
| 49 | K | 96.8 | Very high | 94.4 | Very high | 102 Ų | 102 | 98.7 Ų | 98.7 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 177.3 | -73.9 | -62.8 | -175.4 | -171.5 | 0 | 112.5 | F45 M46 W51 D52 L53 | F45-K49 HydrophobicContact CD1-CG 4.15Å; F45-K49 HydrophobicContact CE1-CG 3.74Å; F45-K49 HydrophobicContact CE2-CG 4.27Å; F45-K49 HydrophobicContact CZ-CD 4.18Å; F45-K49 HydrophobicContact CZ-CG 3.82Å; F45-K49 WeakPolarHBondContact O-CG 3.42Å; F45-K49 PolarHBondContact O-N 2.91Å; M46-K49 PolarHBondContact O-N 3.38Å; K49-W51 VanDerWaalsContact C-N 3.33Å; K49-D52 PolarHBondContact O-N 3.46Å; K49-L53 WeakPolarHBondContact O-CB 3.15Å; K49-L53 VanDerWaalsContact O-CG 3.26Å; K49-L53 WeakPolarHBondContact O-CG 3.38Å; K49-L53 PolarHBondContact O-N 3.2Å |
| 50 | L | 97.3 | Very high | 95.2 | Very high | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 173.5 | -77.6 | 170.5 | 0 | 0 | 0 | 111.1 | M46 T47 L53 E54 | M46-L50 WeakPolarHBondContact O-CB 3.01Å; M46-L50 VanDerWaalsContact O-CG 3.32Å; M46-L50 WeakPolarHBondContact O-CG 3.45Å; M46-L50 PolarHBondContact O-N 3.41Å; T47-L50 PolarHBondContact O-N 2.96Å; L50-L53 PolarHBondContact O-N 3.08Å; L50-E54 WeakPolarHBondContact O-CB 3.46Å; L50-E54 PolarHBondContact O-N 3.02Å |
| 51 | W | 97.6 | Very high | 95.8 | Very high | 142 Ų | 142 | 97.2 Ų | 97.2 | 54% | 0.538 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -48.9 | 174.7 | -179.6 | -86.7 | 0 | 0 | 0 | 112.1 | T47 R48 K49 L53 E54 Q55 | T47-W51 WeakPolarHBondContact O-CB 3.4Å; T47-W51 PolarHBondContact O-N 3.31Å; R48-W51 WeakPolarHBondContact O-CB 3.46Å; R48-W51 PolarHBondContact O-N 2.77Å; K49-W51 VanDerWaalsContact C-N 3.33Å; W51-L53 VanDerWaalsContact C-N 3.3Å; W51-L53 PolarHBondContact O-N 3.1Å; W51-E54 PolarHBondContact O-N 3.25Å; W51-Q55 WeakPolarHBondContact O-CG 3.32Å; W51-Q55 PolarHBondContact O-N 2.77Å |
| 52 | D | 97.5 | Very high | 96.2 | Very high | 70 Ų | 70 | 96.3 Ų | 96.3 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 178.9 | -67.3 | -18.5 | 0 | 0 | 0 | 111.3 | R48 K49 Q55 Q56 | R48-D52 VanDerWaalsContact O-CG 3.28Å; R48-D52 PolarHBondContact O-N 3.01Å; K49-D52 PolarHBondContact O-N 3.46Å; D52-Q55 PolarHBondContact O-N 3.06Å; D52-Q56 WeakPolarHBondContact O-CB 3.32Å; D52-Q56 PolarHBondContact O-N 2.89Å |
| 53 | L | 97.6 | Very high | 96.5 | Very high | 98 Ų | 98 | 96.6 Ų | 96.6 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 175.5 | -73.4 | 173.4 | 0 | 0 | 0 | 112.1 | K49 L50 W51 Q55 Q56 V57 | K49-L53 WeakPolarHBondContact O-CB 3.15Å; K49-L53 VanDerWaalsContact O-CG 3.26Å; K49-L53 WeakPolarHBondContact O-CG 3.38Å; K49-L53 PolarHBondContact O-N 3.2Å; L50-L53 PolarHBondContact O-N 3.08Å; W51-L53 VanDerWaalsContact C-N 3.3Å; W51-L53 PolarHBondContact O-N 3.1Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 2.96Å; L53-Q56 PolarHBondContact O-N 2.93Å; L53-V57 WeakPolarHBondContact O-CG2 3.18Å; L53-V57 PolarHBondContact O-N 3.32Å |
| 54 | E | 97.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 95.9 Ų | 95.9 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 175.7 | -169.7 | -169.8 | 154.5 | 0 | 0 | 111.2 | L50 W51 V57 K58 | L50-E54 WeakPolarHBondContact O-CB 3.46Å; L50-E54 PolarHBondContact O-N 3.02Å; W51-E54 PolarHBondContact O-N 3.25Å; E54-V57 PolarHBondContact O-N 2.9Å; E54-K58 WeakPolarHBondContact O-CG 3.5Å; E54-K58 PolarHBondContact O-N 2.87Å; E54-K58 WeakPolarHBondContact OE1-CE 3.46Å; E54-K58 IonicContact OE1-NZ 3.14Å; E54-K58 PolarHBondContact OE1-NZ 3.42Å |
| 55 | Q | 97.8 | Very high | 97.1 | Very high | 80 Ų | 80 | 97.8 Ų | 97.8 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.6 | -67.7 | -60.3 | -33 | 0 | 0 | 111.9 | W51 D52 L53 K58 A59 | W51-Q55 WeakPolarHBondContact O-CG 3.32Å; W51-Q55 PolarHBondContact O-N 2.77Å; D52-Q55 PolarHBondContact O-N 3.06Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 2.96Å; Q55-K58 PolarHBondContact O-N 3.4Å; Q55-A59 PolarHBondContact O-N 3.02Å |
| 56 | Q | 97.9 | Very high | 97.2 | Very high | 107 Ų | 107 | 95 Ų | 95 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 176.9 | -175.9 | 175.1 | -11.2 | 0 | 0 | 111.9 | D52 L53 K58 A59 Q60 | D52-Q56 WeakPolarHBondContact O-CB 3.32Å; D52-Q56 PolarHBondContact O-N 2.89Å; L53-Q56 PolarHBondContact O-N 2.93Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-A59 PolarHBondContact O-N 3.47Å; Q56-Q60 WeakPolarHBondContact O-CB 3.44Å; Q56-Q60 VanDerWaalsContact O-CG 3.32Å; Q56-Q60 WeakPolarHBondContact O-CG 3.42Å; Q56-Q60 PolarHBondContact O-N 2.99Å |
| 57 | V | 97.8 | Very high | 97.4 | Very high | 85 Ų | 85 | 95.4 Ų | 95.4 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | L53 E54 Q60 T61 | L53-V57 WeakPolarHBondContact O-CG2 3.18Å; L53-V57 PolarHBondContact O-N 3.32Å; E54-V57 PolarHBondContact O-N 2.9Å; V57-Q60 PolarHBondContact O-N 3.1Å; V57-T61 WeakPolarHBondContact O-CG2 3.48Å; V57-T61 PolarHBondContact O-N 2.88Å; V57-T61 PolarHBondContact O-OG1 2.9Å |
| 58 | K | 97.5 | Very high | 97.6 | Very high | 86 Ų | 86 | 95.5 Ų | 95.5 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 176 | -72.5 | 172.2 | -174.9 | 166.8 | 0 | 112.5 | E54 Q55 Q56 Q60 T61 D62 | E54-K58 WeakPolarHBondContact O-CG 3.5Å; E54-K58 PolarHBondContact O-N 2.87Å; E54-K58 WeakPolarHBondContact OE1-CE 3.46Å; E54-K58 IonicContact OE1-NZ 3.14Å; E54-K58 PolarHBondContact OE1-NZ 3.42Å; Q55-K58 PolarHBondContact O-N 3.4Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 2.95Å; K58-T61 WeakPolarHBondContact CA-OG1 3.35Å; K58-T61 PolarHBondContact O-N 3.03Å; K58-T61 PolarHBondContact O-OG1 2.87Å; K58-D62 PolarHBondContact O-N 3.22Å |
| 59 | A | 97.4 | Very high | 97.7 | Very high | 59 Ų | 59 | 94.3 Ų | 94.3 | 49% | 0.488 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q55 Q56 D62 E63 | Q55-A59 PolarHBondContact O-N 3.02Å; Q56-A59 PolarHBondContact O-N 3.47Å; A59-D62 PolarHBondContact O-N 2.94Å; A59-E63 PolarHBondContact O-N 3.33Å |
| 60 | Q | 98 | Very high | 97.7 | Very high | 96 Ų | 96 | 96.2 Ų | 96.2 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 176.5 | -74 | 179.8 | -17.3 | 0 | 0 | 112.3 | Q56 V57 K58 E63 I64 | Q56-Q60 WeakPolarHBondContact O-CB 3.44Å; Q56-Q60 VanDerWaalsContact O-CG 3.32Å; Q56-Q60 WeakPolarHBondContact O-CG 3.42Å; Q56-Q60 PolarHBondContact O-N 2.99Å; V57-Q60 PolarHBondContact O-N 3.1Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 2.95Å; Q60-E63 PolarHBondContact O-N 2.72Å; Q60-I64 WeakPolarHBondContact O-CD1 3.5Å; Q60-I64 VanDerWaalsContact O-CG1 3.25Å; Q60-I64 WeakPolarHBondContact O-CG1 3.4Å; Q60-I64 PolarHBondContact O-N 3.27Å |
| 61 | T | 97.6 | Very high | 97.7 | Very high | 65 Ų | 65 | 94.8 Ų | 94.8 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 175.9 | 49 | 0 | 0 | 0 | 0 | 111.5 | V57 K58 E63 I64 L65 | V57-T61 WeakPolarHBondContact O-CG2 3.48Å; V57-T61 PolarHBondContact O-N 2.88Å; V57-T61 PolarHBondContact O-OG1 2.9Å; K58-T61 WeakPolarHBondContact CA-OG1 3.35Å; K58-T61 PolarHBondContact O-N 3.03Å; K58-T61 PolarHBondContact O-OG1 2.87Å; T61-E63 PolarHBondContact O-N 2.78Å; T61-I64 PolarHBondContact O-N 2.87Å; T61-L65 VanDerWaalsContact O-CG 3.3Å; T61-L65 WeakPolarHBondContact O-CG 3.47Å; T61-L65 PolarHBondContact O-N 3.46Å |
| 62 | D | 97.5 | Very high | 97.7 | Very high | 105 Ų | 105 | 90.6 Ų | 90.6 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 178.5 | -66.2 | -18.1 | 0 | 0 | 0 | 111.5 | K58 A59 L65 S66 | K58-D62 PolarHBondContact O-N 3.22Å; A59-D62 PolarHBondContact O-N 2.94Å; D62-L65 PolarHBondContact O-N 3Å; D62-S66 PolarHBondContact O-N 3.4Å |
| 63 | E | 98.1 | Very high | 97.7 | Very high | 97 Ų | 97 | 90.2 Ų | 90.2 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.1 | -170.8 | -173.7 | 170.9 | 0 | 0 | 111.7 | A59 Q60 T61 S66 K67 | A59-E63 PolarHBondContact O-N 3.33Å; Q60-E63 PolarHBondContact O-N 2.72Å; T61-E63 PolarHBondContact O-N 2.78Å; E63-S66 PolarHBondContact O-N 3.11Å; E63-S66 PolarHBondContact O-OG 3.38Å; E63-K67 HydrophobicContact CG-CD 4.48Å; E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.88Å; E63-K67 WeakPolarHBondContact OE1-CE 3.36Å; E63-K67 IonicContact OE1-NZ 2.69Å; E63-K67 PolarHBondContact OE1-NZ 3.2Å |
| 64 | I | 97.8 | Very high | 97.6 | Very high | 94 Ų | 94 | 90 Ų | 90 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 176.3 | -71.6 | 165.3 | 0 | 0 | 0 | 110.3 | Q60 T61 S66 K67 D68 | Q60-I64 WeakPolarHBondContact O-CD1 3.5Å; Q60-I64 VanDerWaalsContact O-CG1 3.25Å; Q60-I64 WeakPolarHBondContact O-CG1 3.4Å; Q60-I64 PolarHBondContact O-N 3.27Å; T61-I64 PolarHBondContact O-N 2.87Å; I64-S66 VanDerWaalsContact C-N 3.27Å; I64-S66 PolarHBondContact O-N 3.38Å; I64-K67 PolarHBondContact O-N 3.32Å; I64-D68 WeakPolarHBondContact CG2-OD2 3.44Å; I64-D68 PolarHBondContact O-N 2.98Å |
| 65 | L | 98.2 | Very high | 97.4 | Very high | 95 Ų | 95 | 91.4 Ų | 91.4 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 177.8 | -68.8 | 174 | 0 | 0 | 0 | 112 | T61 D62 K67 D68 Q69 | T61-L65 VanDerWaalsContact O-CG 3.3Å; T61-L65 WeakPolarHBondContact O-CG 3.47Å; T61-L65 PolarHBondContact O-N 3.46Å; D62-L65 PolarHBondContact O-N 3Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.02Å; L65-D68 PolarHBondContact O-N 3.28Å; L65-Q69 WeakPolarHBondContact O-CG 3.46Å; L65-Q69 PolarHBondContact O-N 3.25Å |
| 66 | S | 98.1 | Very high | 97.1 | Very high | 63 Ų | 63 | 93.1 Ų | 93.1 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 176.3 | 79.6 | 0 | 0 | 0 | 0 | 112.7 | D62 E63 I64 K70 | D62-S66 PolarHBondContact O-N 3.4Å; E63-S66 PolarHBondContact O-N 3.11Å; E63-S66 PolarHBondContact O-OG 3.38Å; I64-S66 VanDerWaalsContact C-N 3.27Å; I64-S66 PolarHBondContact O-N 3.38Å; S66-K70 PolarHBondContact O-N 2.87Å; S66-K70 VanDerWaalsContact O-N 3.17Å |
| 67 | K | 98.3 | Very high | 96.9 | Very high | 105 Ų | 105 | 92.6 Ų | 92.6 | 46% | 0.457 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.9 | -39.8 | 177.1 | -72 | 174.6 | -176.6 | 167.3 | 0 | 111.2 | E63 I64 L65 Q69 K70 I71 | E63-K67 HydrophobicContact CG-CD 4.48Å; E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.88Å; E63-K67 WeakPolarHBondContact OE1-CE 3.36Å; E63-K67 IonicContact OE1-NZ 2.69Å; E63-K67 PolarHBondContact OE1-NZ 3.2Å; I64-K67 PolarHBondContact O-N 3.32Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.02Å; K67-Q69 VanDerWaalsContact C-N 3.34Å; K67-Q69 PolarHBondContact O-N 2.92Å; K67-K70 CarbonylContact O-C 3.6Å; K67-K70 WeakPolarHBondContact O-CB 3.44Å; K67-K70 PolarHBondContact O-N 2.69Å; K67-K70 VanDerWaalsContact O-N 3.15Å; K67-I71 WeakPolarHBondContact O-CB 3.39Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.2Å; K67-I71 PolarHBondContact O-N 3.32Å |
| 68 | D | 97.9 | Very high | 96.3 | Very high | 84 Ų | 84 | 92 Ų | 92 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.5 | -69.9 | -20.8 | 0 | 0 | 0 | 111.1 | I64 L65 K70 I71 A72 | I64-D68 WeakPolarHBondContact CG2-OD2 3.44Å; I64-D68 PolarHBondContact O-N 2.98Å; L65-D68 PolarHBondContact O-N 3.28Å; D68-K70 VanDerWaalsContact C-N 3.33Å; D68-K70 PolarHBondContact O-N 2.88Å; D68-I71 PolarHBondContact O-N 3.18Å; D68-A72 WeakPolarHBondContact O-CB 3.43Å; D68-A72 PolarHBondContact O-N 2.92Å |
| 69 | Q | 98.1 | Very high | 95.8 | Very high | 143 Ų | 143 | 93.9 Ų | 93.9 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 172.5 | -72.6 | 173.3 | 15.9 | 0 | 0 | 112.2 | L65 K67 A72 A73 | L65-Q69 WeakPolarHBondContact O-CG 3.46Å; L65-Q69 PolarHBondContact O-N 3.25Å; K67-Q69 VanDerWaalsContact C-N 3.34Å; K67-Q69 PolarHBondContact O-N 2.92Å; Q69-A72 PolarHBondContact O-N 3.41Å; Q69-A73 PolarHBondContact O-N 3.03Å |
| 70 | K | 97.9 | Very high | 94.7 | Very high | 142 Ų | 142 | 96 Ų | 96 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.4 | -39.8 | 177.4 | -175.8 | 173.9 | -178.5 | 175.8 | 0 | 112 | S66 K67 D68 A73 L74 | S66-K70 PolarHBondContact O-N 2.87Å; S66-K70 VanDerWaalsContact O-N 3.17Å; K67-K70 CarbonylContact O-C 3.6Å; K67-K70 WeakPolarHBondContact O-CB 3.44Å; K67-K70 PolarHBondContact O-N 2.69Å; K67-K70 VanDerWaalsContact O-N 3.15Å; D68-K70 VanDerWaalsContact C-N 3.33Å; D68-K70 PolarHBondContact O-N 2.88Å; K70-A73 PolarHBondContact O-N 3.09Å; K70-L74 HydrophobicContact CG-CD1 4.08Å; K70-L74 HydrophobicContact CG-CG 4.44Å; K70-L74 WeakPolarHBondContact O-CB 3.41Å; K70-L74 VanDerWaalsContact O-CG 3.26Å; K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 3.34Å |
| 71 | I | 97.3 | Very high | 93.7 | Very high | 81 Ų | 81 | 97.2 Ų | 97.2 | 42% | 0.415 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 175.5 | -71.3 | 164.1 | 0 | 0 | 0 | 108.9 | K67 D68 A73 L74 E75 | K67-I71 WeakPolarHBondContact O-CB 3.39Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.2Å; K67-I71 PolarHBondContact O-N 3.32Å; D68-I71 PolarHBondContact O-N 3.18Å; I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 2.78Å; I71-L74 CarbonylContact O-C 3.6Å; I71-L74 PolarHBondContact O-N 2.97Å; I71-L74 VanDerWaalsContact O-N 3.12Å; I71-E75 HydrophobicContact CG2-CG 4.11Å; I71-E75 WeakPolarHBondContact CG2-OE1 3.32Å; I71-E75 WeakPolarHBondContact O-CB 3.27Å; I71-E75 VanDerWaalsContact O-CG 3.29Å; I71-E75 WeakPolarHBondContact O-CG 3.38Å; I71-E75 PolarHBondContact O-N 2.83Å |
| 72 | A | 97 | Very high | 92.2 | Very high | 53 Ų | 53 | 102.9 Ų | 102.9 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D68 Q69 L74 E75 D76 | D68-A72 WeakPolarHBondContact O-CB 3.43Å; D68-A72 PolarHBondContact O-N 2.92Å; Q69-A72 PolarHBondContact O-N 3.41Å; A72-L74 PolarHBondContact O-N 3.42Å; A72-E75 PolarHBondContact O-N 2.87Å; A72-D76 PolarHBondContact O-N 3.09Å |
| 73 | A | 97 | Very high | 90.3 | Very high | 63 Ų | 63 | 100.8 Ų | 100.8 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q69 K70 I71 L77 | Q69-A73 PolarHBondContact O-N 3.03Å; K70-A73 PolarHBondContact O-N 3.09Å; I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 2.78Å; A73-L77 PolarHBondContact O-N 3.35Å |
| 74 | L | 95.6 | Very high | 88.3 | Confident | 92 Ų | 92 | 104.3 Ų | 104.3 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.7 | -36.7 | 176.2 | -71.8 | 174 | 0 | 0 | 0 | 111.9 | K70 I71 A72 L77 V78 | K70-L74 HydrophobicContact CG-CD1 4.08Å; K70-L74 HydrophobicContact CG-CG 4.44Å; K70-L74 WeakPolarHBondContact O-CB 3.41Å; K70-L74 VanDerWaalsContact O-CG 3.26Å; K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 3.34Å; I71-L74 CarbonylContact O-C 3.6Å; I71-L74 PolarHBondContact O-N 2.97Å; I71-L74 VanDerWaalsContact O-N 3.12Å; A72-L74 PolarHBondContact O-N 3.42Å; L74-L77 PolarHBondContact O-N 3.09Å; L74-V78 WeakPolarHBondContact O-CB 3.42Å; L74-V78 VanDerWaalsContact O-CG2 3.24Å; L74-V78 WeakPolarHBondContact O-CG2 3.28Å; L74-V78 PolarHBondContact O-N 3.33Å |
| 75 | E | 92.4 | Very high | 86.5 | Confident | 124 Ų | 124 | 103 Ų | 103 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 174.5 | -75 | 175.9 | 168.1 | 0 | 0 | 111 | I71 A72 V78 Q79 | I71-E75 HydrophobicContact CG2-CG 4.11Å; I71-E75 WeakPolarHBondContact CG2-OE1 3.32Å; I71-E75 WeakPolarHBondContact O-CB 3.27Å; I71-E75 VanDerWaalsContact O-CG 3.29Å; I71-E75 WeakPolarHBondContact O-CG 3.38Å; I71-E75 PolarHBondContact O-N 2.83Å; A72-E75 PolarHBondContact O-N 2.87Å; E75-V78 PolarHBondContact O-N 3.14Å; E75-Q79 VanDerWaalsContact O-CB 3.26Å; E75-Q79 WeakPolarHBondContact O-CB 3.36Å; E75-Q79 PolarHBondContact O-N 2.95Å |
| 76 | D | 92.8 | Very high | 84.8 | Confident | 117 Ų | 117 | 100.7 Ų | 100.7 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 173.2 | -113 | 20.8 | 0 | 0 | 0 | 111.4 | A72 V78 Q79 T80 | A72-D76 PolarHBondContact O-N 3.09Å; D76-V78 PolarHBondContact O-N 3.35Å; D76-Q79 WeakPolarHBondContact O-CB 3.34Å; D76-Q79 PolarHBondContact O-N 2.91Å; D76-Q79 VanDerWaalsContact O-N 3.17Å; D76-T80 WeakPolarHBondContact O-CG2 3.3Å; D76-T80 PolarHBondContact O-N 3.36Å; D76-T80 PolarHBondContact O-OG1 3.41Å |
| 77 | L | 92 | Very high | 83.4 | Confident | 96 Ų | 96 | 104.2 Ų | 104.2 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 176.7 | -173.8 | 70.3 | 0 | 0 | 0 | 111 | A73 L74 Q79 T80 L81 | A73-L77 PolarHBondContact O-N 3.35Å; L74-L77 PolarHBondContact O-N 3.09Å; L77-Q79 VanDerWaalsContact C-N 3.29Å; L77-Q79 PolarHBondContact O-N 3.34Å; L77-T80 PolarHBondContact O-N 3.12Å; L77-T80 PolarHBondContact O-OG1 3.48Å; L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CG-CD1 4Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 3.01Å |
| 78 | V | 86.9 | Confident | 82.1 | Confident | 72 Ų | 72 | 101.8 Ų | 101.8 | 44% | 0.436 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 175.1 | 168.5 | 0 | 0 | 0 | 0 | 110.1 | L74 E75 D76 T80 L81 R82 | L74-V78 WeakPolarHBondContact O-CB 3.42Å; L74-V78 VanDerWaalsContact O-CG2 3.24Å; L74-V78 WeakPolarHBondContact O-CG2 3.28Å; L74-V78 PolarHBondContact O-N 3.33Å; E75-V78 PolarHBondContact O-N 3.14Å; D76-V78 PolarHBondContact O-N 3.35Å; V78-T80 PolarHBondContact O-N 2.86Å; V78-L81 CarbonylContact O-C 3.51Å; V78-L81 PolarHBondContact O-N 3.48Å; V78-R82 HydrophobicContact CG1-CB 4.45Å; V78-R82 WeakPolarHBondContact O-CB 3.42Å; V78-R82 PolarHBondContact O-N 3.17Å |
| 79 | Q | 85.1 | Confident | 81 | Confident | 126 Ų | 126 | 101.6 Ų | 101.6 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 179.5 | -171 | 62.5 | 28 | 0 | 0 | 112.2 | E75 D76 L77 L81 R82 | E75-Q79 VanDerWaalsContact O-CB 3.26Å; E75-Q79 WeakPolarHBondContact O-CB 3.36Å; E75-Q79 PolarHBondContact O-N 2.95Å; D76-Q79 WeakPolarHBondContact O-CB 3.34Å; D76-Q79 PolarHBondContact O-N 2.91Å; D76-Q79 VanDerWaalsContact O-N 3.17Å; L77-Q79 VanDerWaalsContact C-N 3.29Å; L77-Q79 PolarHBondContact O-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.92Å; Q79-R82 PolarHBondContact O-N 3.21Å |
| 80 | T | 76.1 | Confident | 80.2 | Confident | 102 Ų | 102 | 100 Ų | 100 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -29.9 | 173.2 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | D76 L77 V78 | D76-T80 WeakPolarHBondContact O-CG2 3.3Å; D76-T80 PolarHBondContact O-N 3.36Å; D76-T80 PolarHBondContact O-OG1 3.41Å; L77-T80 PolarHBondContact O-N 3.12Å; L77-T80 PolarHBondContact O-OG1 3.48Å; V78-T80 PolarHBondContact O-N 2.86Å |
| 81 | L | 76.3 | Confident | 79.5 | Confident | 122 Ų | 122 | 99.1 Ų | 99.1 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -87.6 | -19.6 | -180 | -66.4 | 171.8 | 0 | 0 | 0 | 113.8 | L77 V78 Q79 | L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CG-CD1 4Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 3.01Å; V78-L81 CarbonylContact O-C 3.51Å; V78-L81 PolarHBondContact O-N 3.48Å; Q79-L81 PolarHBondContact O-N 2.92Å |
| 82 | R | 66.4 | Low | 79 | Confident | 185 Ų | 185 | 102.5 Ų | 102.5 | 70% | 0.698 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -85.9 | -37.1 | -156.4 | -158.1 | 169.9 | -172.4 | 176.2 | 1.8 | 118.7 | V78 Q79 | V78-R82 HydrophobicContact CG1-CB 4.45Å; V78-R82 WeakPolarHBondContact O-CB 3.42Å; V78-R82 PolarHBondContact O-N 3.17Å; Q79-R82 PolarHBondContact O-N 3.21Å |
| 83 | P | 57.8 | Low | 78.6 | Confident | 60 Ų | 60 | 104.8 Ų | 104.8 | 39% | 0.39 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -145.9 | -20.5 | -179.4 | 20.8 | 3.4 | 0 | 0 | 0 | 119.8 | P85 A86 | P83-P85 VanDerWaalsContact C-CD 3.45Å; P83-P85 VanDerWaalsContact C-N 3.34Å; P83-A86 PolarHBondContact O-N 2.97Å; P83-A86 VanDerWaalsContact O-N 3.12Å |
| 84 | H | 55.6 | Low | 78.4 | Confident | 171 Ų | 171 | 107.9 Ų | 107.9 | 79% | 0.792 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.7 | -30.5 | 179.3 | -160.9 | 51.4 | 0 | 0 | 0 | 114.8 | ||
| 85 | P | 60.2 | Low | 78.3 | Confident | 68 Ų | 68 | 108.7 Ų | 108.7 | 44% | 0.442 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -77.5 | -28.6 | 171.2 | 27.6 | -31.8 | 0 | 0 | 0 | 113.2 | P83 T89 | P83-P85 VanDerWaalsContact C-CD 3.45Å; P83-P85 VanDerWaalsContact C-N 3.34Å; P85-T89 VanDerWaalsContact O-CB 3.24Å; P85-T89 WeakPolarHBondContact O-CB 3.31Å; P85-T89 WeakPolarHBondContact O-CG2 3.39Å; P85-T89 PolarHBondContact O-N 2.88Å; P85-T89 PolarHBondContact O-OG1 3.25Å |
| 86 | A | 63.2 | Low | 78.4 | Confident | 45 Ų | 45 | 107.1 Ų | 107.1 | 37% | 0.372 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -50 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P83 T89 L90 | P83-A86 PolarHBondContact O-N 2.97Å; P83-A86 VanDerWaalsContact O-N 3.12Å; A86-T89 WeakPolarHBondContact CA-OG1 3.39Å; A86-T89 PolarHBondContact O-N 2.77Å; A86-T89 PolarHBondContact O-OG1 3.38Å; A86-L90 WeakPolarHBondContact O-CB 3.2Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.04Å; A86-L90 PolarHBondContact O-N 3.48Å |
| 87 | E | 66.8 | Low | 78.6 | Confident | 137 Ų | 137 | 106.4 Ų | 106.4 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.8 | -40.9 | -179.2 | -67.1 | 175.2 | -179.9 | 0 | 0 | 112.3 | L90 Q91 | E87-L90 PolarHBondContact O-N 3.32Å; E87-Q91 WeakPolarHBondContact O-CG 3.24Å; E87-Q91 PolarHBondContact O-N 3.46Å |
| 88 | A | 72.4 | Confident | 78.8 | Confident | 54 Ų | 54 | 105.1 Ų | 105.1 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | R92 | A88-R92 VanDerWaalsContact O-CB 3.3Å; A88-R92 WeakPolarHBondContact O-CB 3.22Å; A88-R92 PolarHBondContact O-N 2.8Å |
| 89 | T | 74.3 | Confident | 79.3 | Confident | 81 Ų | 81 | 106.2 Ų | 106.2 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.7 | -37.2 | 173.7 | 57 | 0 | 0 | 0 | 0 | 112.2 | P85 A86 R92 Q93 | P85-T89 VanDerWaalsContact O-CB 3.24Å; P85-T89 WeakPolarHBondContact O-CB 3.31Å; P85-T89 WeakPolarHBondContact O-CG2 3.39Å; P85-T89 PolarHBondContact O-N 2.88Å; P85-T89 PolarHBondContact O-OG1 3.25Å; A86-T89 WeakPolarHBondContact CA-OG1 3.39Å; A86-T89 PolarHBondContact O-N 2.77Å; A86-T89 PolarHBondContact O-OG1 3.38Å; T89-R92 PolarHBondContact O-N 2.8Å; T89-Q93 WeakPolarHBondContact O-CB 3.47Å; T89-Q93 PolarHBondContact O-N 2.95Å |
| 90 | L | 81.8 | Confident | 79.9 | Confident | 108 Ų | 108 | 103.4 Ų | 103.4 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.3 | -44.3 | 176.8 | -72.3 | 174.2 | 0 | 0 | 0 | 111.5 | A86 E87 Q93 E94 | A86-L90 WeakPolarHBondContact O-CB 3.2Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.04Å; A86-L90 PolarHBondContact O-N 3.48Å; E87-L90 PolarHBondContact O-N 3.32Å; L90-Q93 PolarHBondContact O-N 3.3Å; L90-E94 WeakPolarHBondContact O-CB 3.36Å; L90-E94 PolarHBondContact O-N 3.43Å |
| 91 | Q | 81.8 | Confident | 80.9 | Confident | 124 Ų | 124 | 102.8 Ų | 102.8 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -46.6 | 174.5 | -73.8 | 178.1 | -6.1 | 0 | 0 | 111.4 | E87 Q93 E94 E95 | E87-Q91 WeakPolarHBondContact O-CG 3.24Å; E87-Q91 PolarHBondContact O-N 3.46Å; Q91-Q93 VanDerWaalsContact C-N 3.28Å; Q91-Q93 PolarHBondContact O-N 2.95Å; Q91-E94 PolarHBondContact O-N 3.33Å; Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 2.88Å |
| 92 | R | 87.3 | Confident | 81.9 | Confident | 152 Ų | 152 | 102.6 Ų | 102.6 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -37.1 | 177.2 | -179.7 | 56.2 | -179.8 | -130.7 | 0.4 | 112.2 | A88 T89 L96 | A88-R92 VanDerWaalsContact O-CB 3.3Å; A88-R92 WeakPolarHBondContact O-CB 3.22Å; A88-R92 PolarHBondContact O-N 2.8Å; T89-R92 PolarHBondContact O-N 2.8Å; R92-L96 HydrophobicContact CG-CD1 4.38Å; R92-L96 VanDerWaalsContact O-CG 3.31Å; R92-L96 WeakPolarHBondContact O-CG 3.23Å; R92-L96 PolarHBondContact O-N 3.07Å |
| 93 | Q | 88.9 | Confident | 83.3 | Confident | 102 Ų | 102 | 98.2 Ų | 98.2 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 175.4 | 179 | 177.7 | -21.2 | 0 | 0 | 110.8 | T89 L90 Q91 E95 L96 E97 | T89-Q93 WeakPolarHBondContact O-CB 3.47Å; T89-Q93 PolarHBondContact O-N 2.95Å; L90-Q93 PolarHBondContact O-N 3.3Å; Q91-Q93 VanDerWaalsContact C-N 3.28Å; Q91-Q93 PolarHBondContact O-N 2.95Å; Q93-E95 PolarHBondContact O-N 3.49Å; Q93-L96 PolarHBondContact O-N 3.24Å; Q93-E97 HydrophobicContact CG-CG 4.45Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.38Å; Q93-E97 PolarHBondContact NE2-OE1 2.74Å; Q93-E97 WeakPolarHBondContact O-CG 3.48Å; Q93-E97 PolarHBondContact O-N 3.42Å |
| 94 | E | 92 | Very high | 85.1 | Confident | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.3 | -44 | 177.3 | -173.2 | 175.8 | -171.6 | 0 | 0 | 111.4 | L90 Q91 L96 E97 T98 | L90-E94 WeakPolarHBondContact O-CB 3.36Å; L90-E94 PolarHBondContact O-N 3.43Å; Q91-E94 PolarHBondContact O-N 3.33Å; E94-L96 PolarHBondContact O-N 2.85Å; E94-E97 PolarHBondContact O-N 3.18Å; E94-T98 VanDerWaalsContact O-CG2 3.31Å; E94-T98 WeakPolarHBondContact O-CG2 3.42Å; E94-T98 PolarHBondContact O-N 2.87Å; E94-T98 PolarHBondContact O-OG1 3.28Å |
| 95 | E | 94.8 | Very high | 87.1 | Confident | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.4 | -47.9 | 173.1 | -73.9 | 173.1 | -178.6 | 0 | 0 | 111.7 | Q91 Q93 E97 T98 M99 | Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 2.88Å; Q93-E95 PolarHBondContact O-N 3.49Å; E95-E97 PolarHBondContact O-N 3.45Å; E95-T98 PolarHBondContact O-N 2.84Å; E95-T98 PolarHBondContact O-OG1 2.9Å; E95-M99 WeakPolarHBondContact O-CB 3.26Å; E95-M99 VanDerWaalsContact O-CG 3.28Å; E95-M99 WeakPolarHBondContact O-CG 3.24Å; E95-M99 PolarHBondContact O-N 2.75Å |
| 96 | L | 95.1 | Very high | 88.9 | Confident | 90 Ų | 90 | 101.6 Ų | 101.6 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 178.1 | -73.8 | 171.4 | 0 | 0 | 0 | 112.1 | R92 Q93 E94 M99 C100 | R92-L96 HydrophobicContact CG-CD1 4.38Å; R92-L96 VanDerWaalsContact O-CG 3.31Å; R92-L96 WeakPolarHBondContact O-CG 3.23Å; R92-L96 PolarHBondContact O-N 3.07Å; Q93-L96 PolarHBondContact O-N 3.24Å; E94-L96 PolarHBondContact O-N 2.85Å; L96-M99 PolarHBondContact O-N 2.84Å; L96-C100 WeakPolarHBondContact O-CB 3.4Å; L96-C100 PolarHBondContact O-N 3.48Å; L96-C100 PolarHBondContact O-SG 3.25Å; L96-C100 VanDerWaalsContact O-SG 3.36Å |
| 97 | E | 95.9 | Very high | 90.4 | Very high | 103 Ų | 103 | 102.6 Ų | 102.6 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 175.8 | -74.1 | 175.6 | -169 | 0 | 0 | 111 | Q93 E94 E95 M99 C100 V101 | Q93-E97 HydrophobicContact CG-CG 4.45Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.38Å; Q93-E97 PolarHBondContact NE2-OE1 2.74Å; Q93-E97 WeakPolarHBondContact O-CG 3.48Å; Q93-E97 PolarHBondContact O-N 3.42Å; E94-E97 PolarHBondContact O-N 3.18Å; E95-E97 PolarHBondContact O-N 3.45Å; E97-M99 VanDerWaalsContact C-N 3.35Å; E97-M99 PolarHBondContact O-N 2.9Å; E97-C100 PolarHBondContact O-N 2.88Å; E97-V101 WeakPolarHBondContact O-CG2 3.26Å; E97-V101 PolarHBondContact O-N 2.87Å |
| 98 | T | 96.4 | Very high | 91.8 | Very high | 69 Ų | 69 | 102 Ų | 102 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.8 | 64.2 | 0 | 0 | 0 | 0 | 111.8 | E94 E95 V101 Q102 | E94-T98 VanDerWaalsContact O-CG2 3.31Å; E94-T98 WeakPolarHBondContact O-CG2 3.42Å; E94-T98 PolarHBondContact O-N 2.87Å; E94-T98 PolarHBondContact O-OG1 3.28Å; E95-T98 PolarHBondContact O-N 2.84Å; E95-T98 PolarHBondContact O-OG1 2.9Å; T98-V101 PolarHBondContact O-N 3.38Å; T98-Q102 VanDerWaalsContact O-CG 3.31Å; T98-Q102 WeakPolarHBondContact O-CG 3.16Å; T98-Q102 PolarHBondContact O-N 2.94Å |
| 99 | M | 97.2 | Very high | 92.9 | Very high | 95 Ų | 95 | 103.2 Ų | 103.2 | 47% | 0.468 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.1 | -72.1 | -61.8 | -61.5 | 0 | 0 | 112 | E95 L96 E97 V101 Q102 L103 | E95-M99 WeakPolarHBondContact O-CB 3.26Å; E95-M99 VanDerWaalsContact O-CG 3.28Å; E95-M99 WeakPolarHBondContact O-CG 3.24Å; E95-M99 PolarHBondContact O-N 2.75Å; L96-M99 PolarHBondContact O-N 2.84Å; E97-M99 VanDerWaalsContact C-N 3.35Å; E97-M99 PolarHBondContact O-N 2.9Å; M99-V101 VanDerWaalsContact C-N 3.35Å; M99-V101 PolarHBondContact O-N 3.27Å; M99-Q102 PolarHBondContact O-N 3.4Å; M99-L103 WeakPolarHBondContact O-CB 3.33Å; M99-L103 WeakPolarHBondContact O-CG 3.49Å; M99-L103 PolarHBondContact O-N 3.05Å |
| 100 | C | 97.1 | Very high | 93.9 | Very high | 67 Ų | 67 | 102.8 Ų | 102.8 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.4 | -79.1 | 0 | 0 | 0 | 0 | 111.3 | L96 E97 Q102 L103 Q104 | L96-C100 WeakPolarHBondContact O-CB 3.4Å; L96-C100 PolarHBondContact O-N 3.48Å; L96-C100 PolarHBondContact O-SG 3.25Å; L96-C100 VanDerWaalsContact O-SG 3.36Å; E97-C100 PolarHBondContact O-N 2.88Å; C100-Q102 VanDerWaalsContact C-N 3.34Å; C100-Q102 PolarHBondContact O-N 3.32Å; C100-L103 PolarHBondContact O-N 2.99Å; C100-Q104 WeakPolarHBondContact O-CB 3.42Å; C100-Q104 WeakPolarHBondContact O-CG 3.33Å; C100-Q104 PolarHBondContact O-N 3.06Å |
| 101 | V | 97.1 | Very high | 94.5 | Very high | 89 Ų | 89 | 102 Ų | 102 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | E97 T98 M99 R105 | E97-V101 WeakPolarHBondContact O-CG2 3.26Å; E97-V101 PolarHBondContact O-N 2.87Å; T98-V101 PolarHBondContact O-N 3.38Å; M99-V101 VanDerWaalsContact C-N 3.35Å; M99-V101 PolarHBondContact O-N 3.27Å; V101-R105 WeakPolarHBondContact O-CB 3.49Å; V101-R105 PolarHBondContact O-N 3.45Å |
| 102 | Q | 97.6 | Very high | 95.1 | Very high | 117 Ų | 117 | 102.6 Ų | 102.6 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 176.3 | -74.1 | 176.6 | 17.2 | 0 | 0 | 111.9 | T98 M99 C100 R105 Q106 | T98-Q102 VanDerWaalsContact O-CG 3.31Å; T98-Q102 WeakPolarHBondContact O-CG 3.16Å; T98-Q102 PolarHBondContact O-N 2.94Å; M99-Q102 PolarHBondContact O-N 3.4Å; C100-Q102 VanDerWaalsContact C-N 3.34Å; C100-Q102 PolarHBondContact O-N 3.32Å; Q102-R105 WeakPolarHBondContact O-CB 3.29Å; Q102-R105 PolarHBondContact O-N 3.46Å; Q102-Q106 PolarHBondContact O-N 2.86Å |
| 103 | L | 96.9 | Very high | 95.6 | Very high | 93 Ų | 93 | 101 Ų | 101 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 177.3 | -72.7 | 171.4 | 0 | 0 | 0 | 111.5 | M99 C100 R105 Q106 V107 | M99-L103 WeakPolarHBondContact O-CB 3.33Å; M99-L103 WeakPolarHBondContact O-CG 3.49Å; M99-L103 PolarHBondContact O-N 3.05Å; C100-L103 PolarHBondContact O-N 2.99Å; L103-R105 VanDerWaalsContact C-N 3.26Å; L103-R105 PolarHBondContact O-N 2.73Å; L103-Q106 WeakPolarHBondContact O-CB 3.24Å; L103-Q106 PolarHBondContact O-N 3.31Å; L103-Q106 VanDerWaalsContact O-N 3.12Å; L103-V107 WeakPolarHBondContact O-CG2 3.21Å; L103-V107 PolarHBondContact O-N 3.12Å |
| 104 | Q | 95.9 | Very high | 95.9 | Very high | 118 Ų | 118 | 97.8 Ų | 97.8 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.6 | -35 | 174.6 | -75.2 | 175.1 | 5.2 | 0 | 0 | 112.3 | C100 R108 | C100-Q104 WeakPolarHBondContact O-CB 3.42Å; C100-Q104 WeakPolarHBondContact O-CG 3.33Å; C100-Q104 PolarHBondContact O-N 3.06Å; Q104-R108 WeakPolarHBondContact O-CB 3.48Å; Q104-R108 VanDerWaalsContact O-CG 3.27Å; Q104-R108 WeakPolarHBondContact O-CG 3.33Å; Q104-R108 PolarHBondContact O-N 2.78Å; Q104-R108 VanDerWaalsContact O-N 3.09Å; Q104-R108 PolarHBondContact O-NE 3.38Å |
| 105 | R | 97 | Very high | 96 | Very high | 148 Ų | 148 | 95.1 Ų | 95.1 | 56% | 0.558 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.3 | -45.4 | 172.7 | -178.9 | -178 | 165.7 | -139.8 | -11.8 | 110.9 | V101 Q102 L103 R108 E109 | V101-R105 WeakPolarHBondContact O-CB 3.49Å; V101-R105 PolarHBondContact O-N 3.45Å; Q102-R105 WeakPolarHBondContact O-CB 3.29Å; Q102-R105 PolarHBondContact O-N 3.46Å; L103-R105 VanDerWaalsContact C-N 3.26Å; L103-R105 PolarHBondContact O-N 2.73Å; R105-R108 PolarHBondContact O-N 3.34Å; R105-E109 IonicContact CZ-OE1 2.77Å; R105-E109 IonicContact NE-OE1 2.62Å; R105-E109 PolarHBondContact NE-OE1 3.47Å; R105-E109 IonicContact NH2-OE1 2.8Å; R105-E109 PolarHBondContact NH2-OE1 2.95Å; R105-E109 WeakPolarHBondContact O-CG 3.4Å; R105-E109 PolarHBondContact O-N 2.84Å |
| 106 | Q | 97.5 | Very high | 96.1 | Very high | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 178 | -175.2 | -177.6 | -3.3 | 0 | 0 | 111.6 | Q102 L103 R108 E109 M110 | Q102-Q106 PolarHBondContact O-N 2.86Å; L103-Q106 WeakPolarHBondContact O-CB 3.24Å; L103-Q106 PolarHBondContact O-N 3.31Å; L103-Q106 VanDerWaalsContact O-N 3.12Å; Q106-R108 VanDerWaalsContact C-N 3.33Å; Q106-R108 PolarHBondContact O-N 3.4Å; Q106-E109 WeakPolarHBondContact O-CB 3.48Å; Q106-E109 PolarHBondContact O-N 3.41Å; Q106-E109 VanDerWaalsContact O-N 3.09Å; Q106-M110 HydrophobicContact CG-SD 4.19Å; Q106-M110 WeakPolarHBondContact O-CG 3.34Å; Q106-M110 PolarHBondContact O-N 2.88Å |
| 107 | V | 95.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 99.3 Ų | 99.3 | 39% | 0.394 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L103 E109 M110 E111 | L103-V107 WeakPolarHBondContact O-CG2 3.21Å; L103-V107 PolarHBondContact O-N 3.12Å; V107-E109 VanDerWaalsContact C-N 3.3Å; V107-E109 PolarHBondContact O-N 3.12Å; V107-M110 CarbonylContact O-C 3.58Å; V107-M110 WeakPolarHBondContact O-CB 3.32Å; V107-M110 PolarHBondContact O-N 3.07Å; V107-M110 VanDerWaalsContact O-N 3.14Å; V107-E111 HydrophobicContact CG1-CG 4.24Å; V107-E111 WeakPolarHBondContact CG1-OE1 3.44Å; V107-E111 WeakPolarHBondContact O-CB 3.38Å; V107-E111 WeakPolarHBondContact O-CG 3.35Å; V107-E111 PolarHBondContact O-N 2.93Å |
| 108 | R | 95 | Very high | 95.9 | Very high | 126 Ų | 126 | 98 Ų | 98 | 48% | 0.475 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -35.4 | 174.9 | -76.1 | -177.5 | -64.6 | 167.7 | -2.1 | 113.3 | Q104 R105 Q106 R112 | Q104-R108 WeakPolarHBondContact O-CB 3.48Å; Q104-R108 VanDerWaalsContact O-CG 3.27Å; Q104-R108 WeakPolarHBondContact O-CG 3.33Å; Q104-R108 PolarHBondContact O-N 2.78Å; Q104-R108 VanDerWaalsContact O-N 3.09Å; Q104-R108 PolarHBondContact O-NE 3.38Å; R105-R108 PolarHBondContact O-N 3.34Å; Q106-R108 VanDerWaalsContact C-N 3.33Å; Q106-R108 PolarHBondContact O-N 3.4Å; R108-R112 WeakPolarHBondContact O-CB 3.44Å; R108-R112 WeakPolarHBondContact O-CG 3.3Å; R108-R112 PolarHBondContact O-N 2.78Å |
| 109 | E | 96.9 | Very high | 95.7 | Very high | 78 Ų | 78 | 99.5 Ų | 99.5 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 174.1 | -75.3 | 172.5 | -171.9 | 0 | 0 | 111.1 | R105 Q106 V107 R112 F113 | R105-E109 IonicContact CZ-OE1 2.77Å; R105-E109 IonicContact NE-OE1 2.62Å; R105-E109 PolarHBondContact NE-OE1 3.47Å; R105-E109 IonicContact NH2-OE1 2.8Å; R105-E109 PolarHBondContact NH2-OE1 2.95Å; R105-E109 WeakPolarHBondContact O-CG 3.4Å; R105-E109 PolarHBondContact O-N 2.84Å; Q106-E109 WeakPolarHBondContact O-CB 3.48Å; Q106-E109 PolarHBondContact O-N 3.41Å; Q106-E109 VanDerWaalsContact O-N 3.09Å; V107-E109 VanDerWaalsContact C-N 3.3Å; V107-E109 PolarHBondContact O-N 3.12Å; E109-R112 PolarHBondContact O-N 2.68Å; E109-F113 WeakPolarHBondContact O-CB 3.49Å; E109-F113 PolarHBondContact O-N 3.02Å |
| 110 | M | 94.9 | Very high | 95.3 | Very high | 73 Ų | 73 | 103.1 Ų | 103.1 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 174.5 | -67.7 | 173.2 | 60.8 | 0 | 0 | 112.2 | Q106 V107 F113 L114 W121 | Q106-M110 HydrophobicContact CG-SD 4.19Å; Q106-M110 WeakPolarHBondContact O-CG 3.34Å; Q106-M110 PolarHBondContact O-N 2.88Å; V107-M110 CarbonylContact O-C 3.58Å; V107-M110 WeakPolarHBondContact O-CB 3.32Å; V107-M110 PolarHBondContact O-N 3.07Å; V107-M110 VanDerWaalsContact O-N 3.14Å; M110-F113 WeakPolarHBondContact O-CB 3.48Å; M110-F113 PolarHBondContact O-N 3.47Å; M110-L114 WeakPolarHBondContact O-CG 3.25Å; M110-L114 PolarHBondContact O-N 3.35Å; M110-W121 HydrophobicContact CE-CE3 4.23Å; M110-W121 HydrophobicContact CE-CH2 3.99Å; M110-W121 HydrophobicContact CE-CZ3 3.6Å |
| 111 | E | 93.4 | Very high | 94.8 | Very high | 91 Ų | 91 | 106.8 Ų | 106.8 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 177 | -74.5 | 172.5 | 173.4 | 0 | 0 | 111.8 | V107 L114 S115 | V107-E111 HydrophobicContact CG1-CG 4.24Å; V107-E111 WeakPolarHBondContact CG1-OE1 3.44Å; V107-E111 WeakPolarHBondContact O-CB 3.38Å; V107-E111 WeakPolarHBondContact O-CG 3.35Å; V107-E111 PolarHBondContact O-N 2.93Å; E111-L114 PolarHBondContact O-N 3.17Å; E111-S115 WeakPolarHBondContact O-CB 3.46Å; E111-S115 PolarHBondContact O-N 3.29Å |
| 112 | R | 95.4 | Very high | 94.2 | Very high | 137 Ų | 137 | 108.8 Ų | 108.8 | 52% | 0.517 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 174.5 | -78.2 | -172.9 | -63.6 | -129.9 | 1.5 | 111.4 | R108 E109 L114 S115 D116 | R108-R112 WeakPolarHBondContact O-CB 3.44Å; R108-R112 WeakPolarHBondContact O-CG 3.3Å; R108-R112 PolarHBondContact O-N 2.78Å; E109-R112 PolarHBondContact O-N 2.68Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.49Å; R112-S115 WeakPolarHBondContact CA-OG 3.43Å; R112-S115 PolarHBondContact O-N 2.98Å; R112-S115 VanDerWaalsContact O-N 3.09Å; R112-S115 PolarHBondContact O-OG 2.79Å; R112-D116 PolarHBondContact O-N 3.3Å |
| 113 | F | 96.9 | Very high | 93.3 | Very high | 119 Ų | 119 | 105.2 Ų | 105.2 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.3 | -45.9 | 176.6 | 176.3 | -94 | 0 | 0 | 0 | 111.3 | E109 M110 D116 Y117 | E109-F113 WeakPolarHBondContact O-CB 3.49Å; E109-F113 PolarHBondContact O-N 3.02Å; M110-F113 WeakPolarHBondContact O-CB 3.48Å; M110-F113 PolarHBondContact O-N 3.47Å; F113-D116 PolarHBondContact O-N 3.42Å; F113-Y117 HydrophobicContact CD2-CE2 4.19Å; F113-Y117 HydrophobicContact CE1-CD2 4.33Å; F113-Y117 HydrophobicContact CE1-CE2 4.08Å; F113-Y117 AromaticContact CE2-CE2 3.69Å; F113-Y117 HydrophobicContact CE2-CE2 3.69Å; F113-Y117 HydrophobicContact CZ-CD2 4.32Å; F113-Y117 AromaticContact CZ-CE2 3.62Å; F113-Y117 HydrophobicContact CZ-CE2 3.62Å; F113-Y117 WeakPolarHBondContact O-CD2 3.4Å |
| 114 | L | 96.3 | Very high | 92.4 | Very high | 33 Ų | 33 | 107.5 Ų | 107.5 | 17% | 0.173 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 177.1 | -70.8 | 174.1 | 0 | 0 | 0 | 112.1 | M110 E111 R112 D116 Y117 G118 L119 W121 | M110-L114 WeakPolarHBondContact O-CG 3.25Å; M110-L114 PolarHBondContact O-N 3.35Å; E111-L114 PolarHBondContact O-N 3.17Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.49Å; L114-D116 VanDerWaalsContact C-N 3.26Å; L114-D116 PolarHBondContact O-N 3.46Å; L114-Y117 CarbonylContact O-C 3.59Å; L114-Y117 PolarHBondContact O-N 3.04Å; L114-G118 PolarHBondContact O-N 3.17Å; L114-L119 CarbonylContact C-O 3.58Å; L114-L119 HydrophobicContact CB-CB 3.94Å; L114-L119 WeakPolarHBondContact CB-O 3.34Å; L114-L119 HydrophobicContact CD2-CB 3.91Å; L114-L119 HydrophobicContact CD2-CD1 3.91Å; L114-L119 HydrophobicContact CG-CB 4.48Å; L114-L119 WeakPolarHBondContact O-CB 3.44Å; L114-L119 PolarHBondContact O-N 3.44Å; L114-W121 HydrophobicContact CD1-CB 3.92Å; L114-W121 HydrophobicContact CD1-CE3 3.88Å |
| 115 | S | 93.7 | Very high | 90.9 | Very high | 71 Ų | 71 | 105.6 Ų | 105.6 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -33 | 179.7 | 75.9 | 0 | 0 | 0 | 0 | 113.1 | E111 R112 Y117 G118 L119 | E111-S115 WeakPolarHBondContact O-CB 3.46Å; E111-S115 PolarHBondContact O-N 3.29Å; R112-S115 WeakPolarHBondContact CA-OG 3.43Å; R112-S115 PolarHBondContact O-N 2.98Å; R112-S115 VanDerWaalsContact O-N 3.09Å; R112-S115 PolarHBondContact O-OG 2.79Å; S115-Y117 PolarHBondContact O-N 3.4Å; S115-G118 PolarHBondContact O-N 3.15Å; S115-L119 PolarHBondContact N-O 3.02Å |
| 116 | D | 97.1 | Very high | 89.1 | Confident | 130 Ų | 130 | 106.8 Ų | 106.8 | 70% | 0.695 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.9 | -25 | 176.2 | -65.4 | -24 | 0 | 0 | 0 | 111.9 | R112 F113 L114 | R112-D116 PolarHBondContact O-N 3.3Å; F113-D116 PolarHBondContact O-N 3.42Å; L114-D116 VanDerWaalsContact C-N 3.26Å; L114-D116 PolarHBondContact O-N 3.46Å |
| 117 | Y | 94.4 | Very high | 87.3 | Confident | 159 Ų | 159 | 109 Ų | 109 | 62% | 0.624 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 7.7 | 174.6 | -62.3 | -81.8 | 0 | 0 | 0 | 113.4 | F113 L114 S115 L119 | F113-Y117 HydrophobicContact CD2-CE2 4.19Å; F113-Y117 HydrophobicContact CE1-CD2 4.33Å; F113-Y117 HydrophobicContact CE1-CE2 4.08Å; F113-Y117 AromaticContact CE2-CE2 3.69Å; F113-Y117 HydrophobicContact CE2-CE2 3.69Å; F113-Y117 HydrophobicContact CZ-CD2 4.32Å; F113-Y117 AromaticContact CZ-CE2 3.62Å; F113-Y117 HydrophobicContact CZ-CE2 3.62Å; F113-Y117 WeakPolarHBondContact O-CD2 3.4Å; L114-Y117 CarbonylContact O-C 3.59Å; L114-Y117 PolarHBondContact O-N 3.04Å; S115-Y117 PolarHBondContact O-N 3.4Å; Y117-L119 PolarHBondContact O-N 3.46Å |
| 118 | G | 92.8 | Very high | 85.2 | Confident | 74 Ų | 74 | 112.3 Ų | 112.3 | 76% | 0.763 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.8 | 17.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L114 S115 | L114-G118 PolarHBondContact O-N 3.17Å; S115-G118 PolarHBondContact O-N 3.15Å |
| 119 | L | 91.9 | Very high | 83 | Confident | 102 Ų | 102 | 113.4 Ų | 113.4 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | trans | -94.1 | 146.4 | 176.4 | -60.4 | 173.2 | 0 | 0 | 0 | 110.1 | L114 S115 Y117 | L114-L119 CarbonylContact C-O 3.58Å; L114-L119 HydrophobicContact CB-CB 3.94Å; L114-L119 WeakPolarHBondContact CB-O 3.34Å; L114-L119 HydrophobicContact CD2-CB 3.91Å; L114-L119 HydrophobicContact CD2-CD1 3.91Å; L114-L119 HydrophobicContact CG-CB 4.48Å; L114-L119 WeakPolarHBondContact O-CB 3.44Å; L114-L119 PolarHBondContact O-N 3.44Å; S115-L119 PolarHBondContact N-O 3.02Å; Y117-L119 PolarHBondContact O-N 3.46Å | ||
| 120 | Q | 89 | Confident | 80.8 | Confident | 170 Ų | 170 | 117.3 Ų | 117.3 | 79% | 0.794 | 60% | 0.604 | S | S | * | * | trans | -121.3 | 133.8 | 175.5 | -175.2 | 174.7 | 3.3 | 0 | 0 | 110.1 | V122 | Q120-V122 PolarHBondContact O-N 3.33Š| ||
| 121 | W | 85.5 | Confident | 78.6 | Confident | 145 Ų | 145 | 118.4 Ų | 118.4 | 55% | 0.549 | 62% | 0.619 | S | S | . | * | trans | -76 | 114.1 | 169.9 | -173.1 | -80.4 | 0 | 0 | 0 | 109.3 | M110 L114 | M110-W121 HydrophobicContact CE-CE3 4.23Å; M110-W121 HydrophobicContact CE-CH2 3.99Å; M110-W121 HydrophobicContact CE-CZ3 3.6Å; L114-W121 HydrophobicContact CD1-CB 3.92Å; L114-W121 HydrophobicContact CD1-CE3 3.88Å | ||
| 122 | V | 84.5 | Confident | 76.4 | Confident | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 64% | 0.642 | S | S | * | * | trans | -94.9 | -17.5 | 179.3 | -177 | 0 | 0 | 0 | 0 | 111.9 | Q120 | Q120-V122 PolarHBondContact O-N 3.33Š| ||
| 123 | G | 80.1 | Confident | 73.7 | Confident | 42 Ų | 42 | 121.8 Ų | 121.8 | 43% | 0.433 | 65% | 0.652 | S | S | . | * | trans | 65 | 178.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 124 | E | 77.3 | Confident | 71.1 | Confident | 141 Ų | 141 | 125.4 Ų | 125.4 | 66% | 0.659 | 67% | 0.668 | S | S | * | * | trans | -96.8 | 131.2 | 169.4 | -172.1 | 159.8 | -158.7 | 0 | 0 | 108.4 | M126 | E124-M126 PolarHBondContact O-N 2.91Š| ||
| 125 | P | 64.4 | Low | 68.1 | Low | 78 Ų | 78 | 129.8 Ų | 129.8 | 51% | 0.506 | 70% | 0.696 | S | S | . | * | trans | -63.3 | 125 | 173.9 | 24.6 | -31 | 0 | 0 | 0 | 109.2 | D127 Q128 | P125-D127 PolarHBondContact O-N 2.62Å; P125-Q128 PolarHBondContact O-N 3.04Å | ||
| 126 | M | 58.1 | Low | 66 | Low | 174 Ų | 174 | 133.1 Ų | 133.1 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -55.4 | -21.4 | -179.4 | -90.3 | -162.3 | 178.9 | 0 | 0 | 113.9 | E124 Q128 | E124-M126 PolarHBondContact O-N 2.91Å; M126-Q128 PolarHBondContact O-N 3.47Å |
| 127 | D | 60.6 | Low | 63.5 | Low | 150 Ų | 150 | 132.2 Ų | 132.2 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -76.2 | -1 | -174.6 | -54.1 | -39.3 | 0 | 0 | 0 | 113.8 | P125 | P125-D127 PolarHBondContact O-N 2.62Š|
| 128 | Q | 51.8 | Low | 61.3 | Low | 136 Ų | 136 | 133.1 Ų | 133.1 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -99.9 | -8.3 | -173.3 | -161.2 | 96.7 | 74.2 | 0 | 0 | 114.2 | P125 M126 | P125-Q128 PolarHBondContact O-N 3.04Å; M126-Q128 PolarHBondContact O-N 3.47Å |
| 129 | E | 49.1 | Very low | 58.9 | Low | 148 Ų | 148 | 139.2 Ų | 139.2 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -86.3 | -17.6 | -175.5 | -64.4 | -166.1 | 159.6 | 0 | 0 | 114 | ||
| 130 | D | 49.6 | Very low | 56.4 | Low | 160 Ų | 160 | 137.5 Ų | 137.5 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -94.5 | -0.4 | -173.3 | -81.7 | -23.2 | 0 | 0 | 0 | 115.1 | ||
| 131 | S | 48.5 | Very low | 54.4 | Low | 97 Ų | 97 | 138.6 Ų | 138.6 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | -114.1 | 50.1 | -175.3 | -68.3 | 0 | 0 | 0 | 0 | 113.6 | S133 | S131-S133 PolarHBondContact O-N 3.05Š| ||
| 132 | E | 47.6 | Very low | 52.4 | Low | 195 Ų | 195 | 142.6 Ų | 142.6 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | trans | -77 | 67.4 | 159.6 | -66.3 | -155.3 | 151.9 | 0 | 0 | 111 | ||||
| 133 | S | 39.4 | Very low | 50.4 | Low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -150 | 92.7 | 157.7 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | S131 | S131-S133 PolarHBondContact O-N 3.05Š| ||
| 134 | K | 41.8 | Very low | 49.1 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | 43.8 | 102.7 | 131.7 | -165.7 | 175.4 | -172.1 | 176 | 0 | 116.4 | ||||
| 135 | T | 33.8 | Very low | 47.5 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | -158.9 | 128.9 | 112.2 | 40.7 | 0 | 0 | 0 | 0 | 110.2 | S137 | T135-S137 PolarHBondContact O-N 3.29Å; T135-S137 VanDerWaalsContact O-N 3.1Å | |||
| 136 | V | 48.6 | Very low | 46.9 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -64 | 103.4 | 162.2 | 175.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 137 | S | 44.7 | Very low | 46.4 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -95.3 | 107.6 | 160.7 | -86.4 | 0 | 0 | 0 | 0 | 108.1 | T135 | T135-S137 PolarHBondContact O-N 3.29Å; T135-S137 VanDerWaalsContact O-N 3.1Å | ||
| 138 | E | 49 | Very low | 46 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -65.2 | 137 | 159.9 | -76.8 | -175.3 | 136.8 | 0 | 0 | 109.3 | ||||
| 139 | H | 41.2 | Very low | 46.3 | Very low | 202 Ų | 202 | 141 Ų | 141 | 94% | 0.935 | 73% | 0.732 | S | S | * | * | trans | 83.8 | 96.5 | 156.5 | -135.6 | 69 | 0 | 0 | 0 | 118.3 | ||||
| 140 | G | 40.4 | Very low | 46.5 | Very low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 162.5 | 96.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 141 | E | 45.9 | Very low | 46.6 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | 39.6 | 80.9 | 167.8 | -66.4 | -179.7 | 164.3 | 0 | 0 | 115 | D143 | E141-D143 VanDerWaalsContact C-N 3.26Å; E141-D143 PolarHBondContact O-N 3.49Å | ||
| 142 | R | 45.3 | Very low | 47.2 | Very low | 229 Ų | 229 | 144.2 Ų | 144.2 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -57.9 | 97.4 | 163.9 | -86 | -178.1 | -83.1 | -154.3 | -6.6 | 108 | W144 | R142-W144 PolarHBondContact O-N 3.43Š| ||
| 143 | D | 42.6 | Very low | 47.4 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 41% | 0.412 | 71% | 0.706 | S | S | . | * | trans | -49.7 | 110.5 | 163.2 | -172.4 | 7.6 | 0 | 0 | 0 | 106.9 | E141 M145 T146 A147 | E141-D143 VanDerWaalsContact C-N 3.26Å; E141-D143 PolarHBondContact O-N 3.49Å; D143-M145 PolarHBondContact O-N 3.38Å; D143-M145 PolarHBondContact OD1-N 2.84Å; D143-T146 PolarHBondContact O-N 3.03Å; D143-T146 PolarHBondContact O-OG1 2.97Å; D143-T146 VanDerWaalsContact O-OG1 3.06Å; D143-A147 PolarHBondContact O-N 3.29Å | ||
| 144 | W | 51.7 | Low | 48.2 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 61% | 0.606 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -56.4 | -17.3 | -177.9 | 66.1 | -84.3 | 0 | 0 | 0 | 111.5 | R142 | R142-W144 PolarHBondContact O-N 3.43Å |
| 145 | M | 44.3 | Very low | 49 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 54% | 0.542 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -73 | -29.8 | 174.9 | -63.5 | -156.6 | -126.2 | 0 | 0 | 114.4 | D143 | D143-M145 PolarHBondContact O-N 3.38Å; D143-M145 PolarHBondContact OD1-N 2.84Å |
| 146 | T | 52 | Low | 50 | Low | 112 Ų | 112 | 132.9 Ų | 132.9 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -92.7 | -21.5 | 176.8 | 45.4 | 0 | 0 | 0 | 0 | 113 | D143 K148 | D143-T146 PolarHBondContact O-N 3.03Å; D143-T146 PolarHBondContact O-OG1 2.97Å; D143-T146 VanDerWaalsContact O-OG1 3.06Å; T146-K148 VanDerWaalsContact C-N 3.26Å; T146-K148 PolarHBondContact O-N 3.37Å |
| 147 | A | 47.4 | Very low | 50.6 | Low | 64 Ų | 64 | 133.7 Ų | 133.7 | 53% | 0.529 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -72.4 | -19.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D143 K149 | D143-A147 PolarHBondContact O-N 3.29Å; A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 2.99Å |
| 148 | K | 51.9 | Low | 51.2 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 49% | 0.491 | 69% | 0.689 | S | S | . | * | trans | -79.4 | 89.6 | 168.6 | -73.9 | -176.5 | 179.9 | 179.1 | 0 | 108 | T146 F150 | T146-K148 VanDerWaalsContact C-N 3.26Å; T146-K148 PolarHBondContact O-N 3.37Å; K148-F150 HydrophobicContact CB-CD1 4.1Å; K148-F150 HydrophobicContact CB-CD2 3.42Å; K148-F150 VanDerWaalsContact CB-CD2 3.42Å; K148-F150 HydrophobicContact CB-CE1 3.98Å; K148-F150 HydrophobicContact CB-CE2 3.25Å; K148-F150 HydrophobicContact CB-CG 3.85Å; K148-F150 HydrophobicContact CB-CZ 3.57Å; K148-F150 HydrophobicContact CD-CD1 4.16Å; K148-F150 HydrophobicContact CD-CE1 3.41Å; K148-F150 VanDerWaalsContact CD-CE1 3.41Å; K148-F150 HydrophobicContact CD-CE2 3.93Å; K148-F150 HydrophobicContact CD-CZ 3.27Å; K148-F150 HydrophobicContact CG-CE1 4.31Å; K148-F150 HydrophobicContact CG-CE2 4.21Å; K148-F150 HydrophobicContact CG-CZ 4.05Å; K148-F150 WeakPolarHBondContact O-CD2 3.37Å; K148-F150 PolarHBondContact O-N 2.97Å | ||
| 149 | K | 58.1 | Low | 51.8 | Low | 180 Ų | 180 | 129.4 Ų | 129.4 | 78% | 0.783 | 68% | 0.682 | S | S | * | * | trans | -54.4 | 80.3 | 143.5 | -59.6 | -176.8 | -179.2 | -173.4 | 0 | 106.2 | A147 W151 | A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 2.99Å; K149-W151 VanDerWaalsContact C-N 3.26Å; K149-W151 PolarHBondContact O-N 2.96Å | ||
| 150 | F | 53.6 | Low | 53 | Low | 148 Ų | 148 | 125.3 Ų | 125.3 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | trans | -65.2 | 94.1 | -177 | -79.6 | -85.3 | 0 | 0 | 0 | 106.8 | K148 | K148-F150 HydrophobicContact CB-CD1 4.1Å; K148-F150 HydrophobicContact CB-CD2 3.42Å; K148-F150 VanDerWaalsContact CB-CD2 3.42Å; K148-F150 HydrophobicContact CB-CE1 3.98Å; K148-F150 HydrophobicContact CB-CE2 3.25Å; K148-F150 HydrophobicContact CB-CG 3.85Å; K148-F150 HydrophobicContact CB-CZ 3.57Å; K148-F150 HydrophobicContact CD-CD1 4.16Å; K148-F150 HydrophobicContact CD-CE1 3.41Å; K148-F150 VanDerWaalsContact CD-CE1 3.41Å; K148-F150 HydrophobicContact CD-CE2 3.93Å; K148-F150 HydrophobicContact CD-CZ 3.27Å; K148-F150 HydrophobicContact CG-CE1 4.31Å; K148-F150 HydrophobicContact CG-CE2 4.21Å; K148-F150 HydrophobicContact CG-CZ 4.05Å; K148-F150 WeakPolarHBondContact O-CD2 3.37Å; K148-F150 PolarHBondContact O-N 2.97Å | ||
| 151 | W | 51.3 | Low | 54.6 | Low | 200 Ų | 200 | 130.8 Ų | 130.8 | 76% | 0.758 | 68% | 0.681 | S | S | * | * | trans | 63.2 | 112.3 | 167.9 | -158.1 | 32.5 | 0 | 0 | 0 | 115.4 | K149 P153 | K149-W151 VanDerWaalsContact C-N 3.26Å; K149-W151 PolarHBondContact O-N 2.96Å; W151-P153 HydrophobicContact CD2-CG 4.45Å; W151-P153 WeakPolarHBondContact O-CD 3.45Å | ||
| 152 | K | 59.9 | Low | 56.1 | Low | 126 Ų | 126 | 125 Ų | 125 | 55% | 0.548 | 66% | 0.659 | S | S | . | * | trans | -105.3 | 103.9 | 162.9 | -65.5 | -62.2 | -178.3 | -176 | 0 | 106.9 | G154 D155 S156 | K152-G154 PolarHBondContact O-N 3.28Å; K152-G154 VanDerWaalsContact O-N 3.11Å; K152-D155 HydrophobicContact CB-CB 4.02Å; K152-D155 PolarHBondContact O-N 3.26Å; K152-D155 VanDerWaalsContact O-N 3.1Å; K152-S156 PolarHBondContact O-N 3.4Å; K152-S156 PolarHBondContact O-OG 2.69Å | ||
| 153 | P | 52.5 | Low | 58 | Low | 99 Ų | 99 | 118.4 Ų | 118.4 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -28.1 | -179.4 | -27.5 | 35.3 | 0 | 0 | 0 | 113.2 | W151 | W151-P153 HydrophobicContact CD2-CG 4.45Å; W151-P153 WeakPolarHBondContact O-CD 3.45Å |
| 154 | G | 56.9 | Low | 60 | Low | 78 Ų | 78 | 117.2 Ų | 117.2 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -19.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | K152 | K152-G154 PolarHBondContact O-N 3.28Å; K152-G154 VanDerWaalsContact O-N 3.11Å |
| 155 | D | 58.3 | Low | 61.8 | Low | 132 Ų | 132 | 115.7 Ų | 115.7 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 1.3 | -179.6 | -65.5 | -30 | 0 | 0 | 0 | 112.7 | K152 L157 | K152-D155 HydrophobicContact CB-CB 4.02Å; K152-D155 PolarHBondContact O-N 3.26Å; K152-D155 VanDerWaalsContact O-N 3.1Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 2.73Å |
| 156 | S | 54.5 | Low | 63.9 | Low | 70 Ų | 70 | 119.6 Ų | 119.6 | 49% | 0.49 | 64% | 0.644 | S | S | . | * | trans | -77 | 82.7 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | K152 | K152-S156 PolarHBondContact O-N 3.4Å; K152-S156 PolarHBondContact O-OG 2.69Å | ||
| 157 | L | 61 | Low | 65.7 | Low | 160 Ų | 160 | 117.4 Ų | 117.4 | 84% | 0.838 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 145.5 | 166.6 | -64.3 | 177.4 | 0 | 0 | 0 | 109.3 | D155 | D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 2.73Å |
| 158 | A | 57.2 | Low | 67.6 | Low | 91 Ų | 91 | 117.9 Ų | 117.9 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 133.6 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 159 | P | 61.9 | Low | 69.4 | Low | 107 Ų | 107 | 114.6 Ų | 114.6 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 142.5 | -178.1 | -25.2 | 32.5 | 0 | 0 | 0 | 110.5 | ||
| 160 | P | 67.2 | Low | 70.9 | Confident | 115 Ų | 115 | 108.6 Ų | 108.6 | 75% | 0.747 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -49 | 146.2 | 167.5 | -20.8 | 30.2 | 0 | 0 | 0 | 109.5 | V162 | P160-V162 PolarHBondContact O-N 3.25Š|
| 161 | E | 72.9 | Confident | 72.6 | Confident | 182 Ų | 182 | 105 Ų | 105 | 85% | 0.85 | 58% | 0.583 | S | S | * | * | trans | -47.3 | 112.8 | 172.8 | -71.4 | -176.2 | 168.4 | 0 | 0 | 108.9 | D163 | E161-D163 PolarHBondContact O-N 3.04Š| ||
| 162 | V | 77.6 | Confident | 74.2 | Confident | 73 Ų | 73 | 101.3 Ų | 101.3 | 44% | 0.442 | 57% | 0.574 | S | S | . | * | trans | -73.3 | 115 | -178.1 | 179.3 | 0 | 0 | 0 | 0 | 106.8 | P160 F164 L167 | P160-V162 PolarHBondContact O-N 3.25Å; V162-F164 HydrophobicContact CB-CE2 4.49Å; V162-F164 HydrophobicContact CB-CZ 4.46Å; V162-F164 WeakPolarHBondContact O-CD2 3.39Å; V162-F164 WeakPolarHBondContact O-CE2 3.33Å; V162-F164 PolarHBondContact O-N 3.27Å; V162-F164 VanDerWaalsContact O-N 3.08Å; V162-L167 HydrophobicContact CG1-CD1 4.08Å | ||
| 163 | D | 85.1 | Confident | 75.6 | Confident | 90 Ų | 90 | 99.8 Ų | 99.8 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | trans | -73.4 | 97.4 | 170.3 | -176 | -10.7 | 0 | 0 | 0 | 108.8 | E161 D165 R166 L167 | E161-D163 PolarHBondContact O-N 3.04Å; D163-D165 PolarHBondContact O-N 2.89Å; D163-D165 WeakPolarHBondContact OD1-CB 3.39Å; D163-D165 PolarHBondContact OD1-N 3.42Å; D163-R166 HydrophobicContact CB-CB 3.99Å; D163-R166 PolarHBondContact O-N 2.92Å; D163-R166 PolarHBondContact OD1-N 3.47Å; D163-R166 VanDerWaalsContact OD1-N 3.13Å; D163-L167 PolarHBondContact O-N 3.39Å | ||
| 164 | F | 85.7 | Confident | 77.2 | Confident | 52 Ų | 52 | 100.4 Ų | 100.4 | 23% | 0.228 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -64.1 | -29.3 | -179.8 | -66.2 | -84.1 | 0 | 0 | 0 | 112.2 | V162 L167 L168 L204 R206 | V162-F164 HydrophobicContact CB-CE2 4.49Å; V162-F164 HydrophobicContact CB-CZ 4.46Å; V162-F164 WeakPolarHBondContact O-CD2 3.39Å; V162-F164 WeakPolarHBondContact O-CE2 3.33Å; V162-F164 PolarHBondContact O-N 3.27Å; V162-F164 VanDerWaalsContact O-N 3.08Å; F164-L167 PolarHBondContact O-N 3.41Å; F164-L168 WeakPolarHBondContact O-CB 3.38Å; F164-L168 VanDerWaalsContact O-CG 3.29Å; F164-L168 WeakPolarHBondContact O-CG 3.35Å; F164-L168 PolarHBondContact O-N 2.92Å; F164-L204 HydrophobicContact CD1-CB 4.16Å; F164-L204 HydrophobicContact CD1-CD1 4.13Å; F164-L204 HydrophobicContact CE1-CB 4.39Å; F164-R206 HydrophobicContact CE2-CB 3.9Å; F164-R206 HydrophobicContact CE2-CG 3.79Å; F164-R206 HydrophobicContact CZ-CB 3.93Å; F164-R206 HydrophobicContact CZ-CG 4.18Å |
| 165 | D | 87.6 | Confident | 78.4 | Confident | 127 Ų | 127 | 100.4 Ų | 100.4 | 68% | 0.679 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71 | -44.1 | 179.7 | -63.2 | -27 | 0 | 0 | 0 | 109.7 | D163 L167 L168 A169 | D163-D165 PolarHBondContact O-N 2.89Å; D163-D165 WeakPolarHBondContact OD1-CB 3.39Å; D163-D165 PolarHBondContact OD1-N 3.42Å; D165-L167 VanDerWaalsContact C-N 3.33Å; D165-L167 PolarHBondContact O-N 2.95Å; D165-L168 PolarHBondContact O-N 3.41Å; D165-A169 WeakPolarHBondContact O-CB 3.4Å; D165-A169 PolarHBondContact O-N 2.91Å |
| 166 | R | 90.1 | Very high | 79.6 | Confident | 193 Ų | 193 | 101 Ų | 101 | 73% | 0.728 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -39.1 | 172.9 | -175.3 | 177.3 | 177.8 | -170.3 | -0.8 | 112.3 | D163 A169 S170 | D163-R166 HydrophobicContact CB-CB 3.99Å; D163-R166 PolarHBondContact O-N 2.92Å; D163-R166 PolarHBondContact OD1-N 3.47Å; D163-R166 VanDerWaalsContact OD1-N 3.13Å; R166-A169 PolarHBondContact O-N 3.21Å; R166-S170 WeakPolarHBondContact O-CB 3.47Å; R166-S170 PolarHBondContact O-N 3.24Å; R166-S170 PolarHBondContact O-OG 2.85Å |
| 167 | L | 88.8 | Confident | 80.7 | Confident | 66 Ų | 66 | 104.3 Ų | 104.3 | 35% | 0.346 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.4 | -47.5 | 177.3 | -171.9 | 152.2 | 0 | 0 | 0 | 110.8 | V162 D163 F164 D165 S170 L171 L204 | V162-L167 HydrophobicContact CG1-CD1 4.08Å; D163-L167 PolarHBondContact O-N 3.39Å; F164-L167 PolarHBondContact O-N 3.41Å; D165-L167 VanDerWaalsContact C-N 3.33Å; D165-L167 PolarHBondContact O-N 2.95Å; L167-S170 PolarHBondContact O-N 2.91Å; L167-S170 PolarHBondContact O-OG 3.04Å; L167-L171 WeakPolarHBondContact O-CB 3.26Å; L167-L171 PolarHBondContact O-N 2.86Å; L167-L204 HydrophobicContact CD2-CD1 4.03Å |
| 168 | L | 88.4 | Confident | 81.2 | Confident | 73 Ų | 73 | 101.3 Ų | 101.3 | 38% | 0.382 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -41.4 | 177 | -74.3 | 171.3 | 0 | 0 | 0 | 112.1 | F164 D165 L171 Q172 L204 | F164-L168 WeakPolarHBondContact O-CB 3.38Å; F164-L168 VanDerWaalsContact O-CG 3.29Å; F164-L168 WeakPolarHBondContact O-CG 3.35Å; F164-L168 PolarHBondContact O-N 2.92Å; D165-L168 PolarHBondContact O-N 3.41Å; L168-L171 PolarHBondContact O-N 3.28Å; L168-Q172 WeakPolarHBondContact O-CG 3.25Å; L168-Q172 PolarHBondContact O-N 3.29Å; L168-L204 HydrophobicContact CD1-CD1 4.32Å; L168-L204 HydrophobicContact CD2-CD1 3.71Å; L168-L204 HydrophobicContact CG-CD1 3.87Å |
| 169 | A | 89.8 | Confident | 81.3 | Confident | 44 Ų | 44 | 102.9 Ų | 102.9 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61 | -48.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | D165 R166 L171 Q172 D173 | D165-A169 WeakPolarHBondContact O-CB 3.4Å; D165-A169 PolarHBondContact O-N 2.91Å; R166-A169 PolarHBondContact O-N 3.21Å; A169-L171 VanDerWaalsContact C-N 3.27Å; A169-L171 PolarHBondContact O-N 2.88Å; A169-Q172 WeakPolarHBondContact O-CB 3.49Å; A169-Q172 PolarHBondContact O-N 3.4Å; A169-Q172 VanDerWaalsContact O-N 3.13Å; A169-D173 VanDerWaalsContact O-CG 3.26Å; A169-D173 PolarHBondContact O-N 3.34Å |
| 170 | S | 89.5 | Confident | 81.3 | Confident | 55 Ų | 55 | 106.3 Ų | 106.3 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.8 | -33.7 | 177.6 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | R166 L167 L174 | R166-S170 WeakPolarHBondContact O-CB 3.47Å; R166-S170 PolarHBondContact O-N 3.24Å; R166-S170 PolarHBondContact O-OG 2.85Å; L167-S170 PolarHBondContact O-N 2.91Å; L167-S170 PolarHBondContact O-OG 3.04Å; S170-L174 WeakPolarHBondContact O-CB 3.32Å; S170-L174 VanDerWaalsContact O-CG 3.23Å; S170-L174 WeakPolarHBondContact O-CG 3.45Å; S170-L174 PolarHBondContact O-N 3.27Å |
| 171 | L | 88.9 | Confident | 81.1 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 38% | 0.382 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.5 | -37.1 | 176.5 | -174.3 | 140.2 | 0 | 0 | 0 | 111.3 | L167 L168 A169 S175 L202 | L167-L171 WeakPolarHBondContact O-CB 3.26Å; L167-L171 PolarHBondContact O-N 2.86Å; L168-L171 PolarHBondContact O-N 3.28Å; A169-L171 VanDerWaalsContact C-N 3.27Å; A169-L171 PolarHBondContact O-N 2.88Å; L171-S175 WeakPolarHBondContact O-CB 3.39Å; L171-S175 PolarHBondContact O-N 3.37Å; L171-L202 HydrophobicContact CD1-CD1 3.74Å; L171-L202 HydrophobicContact CD2-CD1 4.27Å |
| 172 | Q | 85.3 | Confident | 80.7 | Confident | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66 | -46.9 | 173.2 | -73.2 | 173.8 | 11.2 | 0 | 0 | 111.3 | L168 A169 L174 S175 E176 | L168-Q172 WeakPolarHBondContact O-CG 3.25Å; L168-Q172 PolarHBondContact O-N 3.29Å; A169-Q172 WeakPolarHBondContact O-CB 3.49Å; A169-Q172 PolarHBondContact O-N 3.4Å; A169-Q172 VanDerWaalsContact O-N 3.13Å; Q172-L174 VanDerWaalsContact C-N 3.29Å; Q172-L174 PolarHBondContact O-N 2.92Å; Q172-S175 WeakPolarHBondContact CA-OG 3.34Å; Q172-S175 CarbonylContact O-C 3.15Å; Q172-S175 WeakPolarHBondContact O-CA 3.41Å; Q172-S175 PolarHBondContact O-N 2.93Å; Q172-S175 PolarHBondContact O-OG 3.17Å; Q172-E176 PolarHBondContact O-N 3.22Å |
| 173 | D | 89.2 | Confident | 80.4 | Confident | 95 Ų | 95 | 101.4 Ų | 101.4 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 176.5 | -64.6 | -18.3 | 0 | 0 | 0 | 111 | A169 E176 L177 | A169-D173 VanDerWaalsContact O-CG 3.26Å; A169-D173 PolarHBondContact O-N 3.34Å; D173-E176 PolarHBondContact O-N 3.16Å; D173-L177 VanDerWaalsContact O-CG 3.25Å; D173-L177 WeakPolarHBondContact O-CG 3.09Å; D173-L177 PolarHBondContact O-N 2.79Å |
| 174 | L | 85.6 | Confident | 79.8 | Confident | 112 Ų | 112 | 102.4 Ų | 102.4 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.8 | -39.1 | 175.3 | -72.3 | 173 | 0 | 0 | 0 | 112.3 | S170 Q172 E176 L177 V178 | S170-L174 WeakPolarHBondContact O-CB 3.32Å; S170-L174 VanDerWaalsContact O-CG 3.23Å; S170-L174 WeakPolarHBondContact O-CG 3.45Å; S170-L174 PolarHBondContact O-N 3.27Å; Q172-L174 VanDerWaalsContact C-N 3.29Å; Q172-L174 PolarHBondContact O-N 2.92Å; L174-E176 VanDerWaalsContact C-N 3.31Å; L174-E176 PolarHBondContact O-N 3.45Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 PolarHBondContact O-N 3.47Å; L174-V178 VanDerWaalsContact O-CG2 3.3Å; L174-V178 WeakPolarHBondContact O-CG2 3.27Å; L174-V178 PolarHBondContact O-N 2.81Å |
| 175 | S | 81.4 | Confident | 79.5 | Confident | 77 Ų | 77 | 104 Ų | 104 | 54% | 0.538 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.8 | -33.9 | 176.1 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | L171 Q172 V178 | L171-S175 WeakPolarHBondContact O-CB 3.39Å; L171-S175 PolarHBondContact O-N 3.37Å; Q172-S175 WeakPolarHBondContact CA-OG 3.34Å; Q172-S175 CarbonylContact O-C 3.15Å; Q172-S175 WeakPolarHBondContact O-CA 3.41Å; Q172-S175 PolarHBondContact O-N 2.93Å; Q172-S175 PolarHBondContact O-OG 3.17Å; S175-V178 PolarHBondContact O-N 2.83Å |
| 176 | E | 83.2 | Confident | 79.2 | Confident | 144 Ų | 144 | 99.6 Ų | 99.6 | 67% | 0.673 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72.6 | -38.3 | 175.3 | -173.4 | 174.3 | -176.8 | 0 | 0 | 110.8 | Q172 D173 L174 V178 V179 | Q172-E176 PolarHBondContact O-N 3.22Å; D173-E176 PolarHBondContact O-N 3.16Å; L174-E176 VanDerWaalsContact C-N 3.31Å; L174-E176 PolarHBondContact O-N 3.45Å; E176-V178 PolarHBondContact O-N 3.35Å; E176-V179 WeakPolarHBondContact O-CG2 3.32Å; E176-V179 PolarHBondContact O-N 3.48Å |
| 177 | L | 79.2 | Confident | 78.6 | Confident | 141 Ų | 141 | 96.1 Ų | 96.1 | 74% | 0.738 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.2 | -23.5 | 175 | -70.7 | 171.6 | 0 | 0 | 0 | 113 | D173 L174 V179 | D173-L177 VanDerWaalsContact O-CG 3.25Å; D173-L177 WeakPolarHBondContact O-CG 3.09Å; D173-L177 PolarHBondContact O-N 2.79Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 PolarHBondContact O-N 3.47Å; L177-V179 PolarHBondContact O-N 2.92Å |
| 178 | V | 71.3 | Confident | 78.4 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 42.6 | 175.5 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | L174 S175 E176 E180 G181 | L174-V178 VanDerWaalsContact O-CG2 3.3Å; L174-V178 WeakPolarHBondContact O-CG2 3.27Å; L174-V178 PolarHBondContact O-N 2.81Å; S175-V178 PolarHBondContact O-N 2.83Å; E176-V178 PolarHBondContact O-N 3.35Å; V178-E180 CarbonylContact O-C 3.51Å; V178-E180 PolarHBondContact O-N 2.86Å; V178-G181 PolarHBondContact O-N 3.43Å |
| 179 | V | 58.1 | Low | 77.7 | Confident | 124 Ų | 124 | 99.2 Ų | 99.2 | 75% | 0.752 | 57% | 0.57 | S | S | * | * | trans | -47 | -28 | -179.1 | -177.4 | 0 | 0 | 0 | 0 | 113.3 | E176 L177 G181 | E176-V179 WeakPolarHBondContact O-CG2 3.32Å; E176-V179 PolarHBondContact O-N 3.48Å; L177-V179 PolarHBondContact O-N 2.92Å; V179-G181 PolarHBondContact O-N 3.14Å | ||
| 180 | E | 63.5 | Low | 77.3 | Confident | 179 Ų | 179 | 101.5 Ų | 101.5 | 84% | 0.836 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -100.4 | 73.8 | 176.6 | -63.6 | 179.6 | -175 | 0 | 0 | 110.4 | V178 | V178-E180 CarbonylContact O-C 3.51Å; V178-E180 PolarHBondContact O-N 2.86Å |
| 181 | G | 62 | Low | 77.1 | Confident | 48 Ų | 48 | 101.2 Ų | 101.2 | 50% | 0.495 | 60% | 0.603 | S | S | . | * | trans | -58.6 | 139.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V178 V179 T183 | V178-G181 PolarHBondContact O-N 3.43Å; V179-G181 PolarHBondContact O-N 3.14Å; G181-T183 PolarHBondContact O-N 3.26Å | ||
| 182 | D | 65.3 | Low | 76.9 | Confident | 136 Ų | 136 | 101.3 Ų | 101.3 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | trans | -52.4 | 113.9 | 179.2 | -70.6 | -35.8 | 0 | 0 | 0 | 110.8 | Q184 L197 | D182-Q184 PolarHBondContact O-N 3.46Å; D182-L197 HydrophobicContact CB-CD1 4.34Å | ||
| 183 | T | 70.7 | Confident | 76.8 | Confident | 82 Ų | 82 | 103.4 Ų | 103.4 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 116.9 | 176.5 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | G181 | G181-T183 PolarHBondContact O-N 3.26Å |
| 184 | Q | 72.9 | Confident | 76.4 | Confident | 112 Ų | 112 | 104.1 Ų | 104.1 | 52% | 0.523 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.9 | 177.2 | -165.9 | 177.5 | 53.5 | 0 | 0 | 110.4 | D182 R195 L197 | D182-Q184 PolarHBondContact O-N 3.46Å; Q184-R195 PolarHBondContact N-O 3.03Å; Q184-R195 PolarHBondContact O-N 3.4Å; Q184-L197 HydrophobicContact CB-CD2 3.87Å; Q184-L197 HydrophobicContact CB-CG 4.48Å |
| 185 | V | 79.2 | Confident | 75.9 | Confident | 86 Ų | 86 | 105.3 Ų | 105.3 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.6 | 117 | 174.9 | -177 | 0 | 0 | 0 | 0 | 109.2 | A192 L194 | V185-A192 HydrophobicContact CG1-CB 3.51Å; V185-L194 HydrophobicContact CB-CD2 4.47Å; V185-L194 HydrophobicContact CG2-CD2 3.54Å |
| 186 | T | 80.1 | Confident | 75.7 | Confident | 33 Ų | 33 | 107.6 Ų | 107.6 | 20% | 0.202 | 63% | 0.628 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.4 | 171 | 33.3 | 0 | 0 | 0 | 0 | 110.6 | R193 R195 | T186-R193 PolarHBondContact N-O 3.47Å; T186-R193 PolarHBondContact O-N 3.03Å; T186-R193 PolarHBondContact OG1-O 2.93Å; T186-R195 WeakPolarHBondContact OG1-CD 3.49Å; T186-R195 PolarHBondContact OG1-NE 3.19Å |
| 187 | P | 78.6 | Confident | 75.2 | Confident | 120 Ų | 120 | 105.4 Ų | 105.4 | 78% | 0.779 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.9 | 133 | 176 | 29.1 | -32.5 | 0 | 0 | 0 | 110.1 | ||
| 188 | V | 83.3 | Confident | 75.1 | Confident | 66 Ų | 66 | 107.1 Ų | 107.1 | 40% | 0.4 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.2 | 146 | 177.3 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | G190 G191 R193 | V188-G190 PolarHBondContact O-N 2.97Å; V188-G191 PolarHBondContact N-O 2.94Å; V188-G191 CarbonylContact O-C 3.52Å; V188-G191 PolarHBondContact O-N 3.5Å; V188-R193 HydrophobicContact CG2-CB 4.13Å |
| 189 | P | 74.4 | Confident | 75.5 | Confident | 139 Ų | 139 | 108.5 Ų | 108.5 | 90% | 0.903 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 108.3 | 176.1 | -22.5 | 32.8 | 0 | 0 | 0 | 110.1 | ||
| 190 | G | 81.9 | Confident | 76.7 | Confident | 92 Ų | 92 | 109.1 Ų | 109.1 | 95% | 0.948 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.2 | 0 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | V188 | V188-G190 PolarHBondContact O-N 2.97Š|
| 191 | G | 85.6 | Confident | 77.6 | Confident | 48 Ų | 48 | 106.4 Ų | 106.4 | 50% | 0.495 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 160.5 | -153.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V188 | V188-G191 PolarHBondContact N-O 2.94Å; V188-G191 CarbonylContact O-C 3.52Å; V188-G191 PolarHBondContact O-N 3.5Å |
| 192 | A | 84.9 | Confident | 78.6 | Confident | 75 Ų | 75 | 109.6 Ų | 109.6 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V185 | V185-A192 HydrophobicContact CG1-CB 3.51Å |
| 193 | R | 82 | Confident | 79.6 | Confident | 165 Ų | 165 | 110.9 Ų | 110.9 | 62% | 0.623 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.6 | 175.5 | -172.6 | 170.7 | -179.4 | 177.3 | 0.1 | 109.6 | T186 V188 | T186-R193 PolarHBondContact N-O 3.47Å; T186-R193 PolarHBondContact O-N 3.03Å; T186-R193 PolarHBondContact OG1-O 2.93Å; V188-R193 HydrophobicContact CG2-CB 4.13Å |
| 194 | L | 80.1 | Confident | 80.2 | Confident | 110 Ų | 110 | 111 Ų | 111 | 58% | 0.576 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.2 | 169.5 | -61.9 | 174.7 | 0 | 0 | 0 | 108.9 | V185 | V185-L194 HydrophobicContact CB-CD2 4.47Å; V185-L194 HydrophobicContact CG2-CD2 3.54Å |
| 195 | R | 75.4 | Confident | 80.4 | Confident | 138 Ų | 138 | 114.4 Ų | 114.4 | 52% | 0.521 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.1 | 172.8 | -67.2 | -173.4 | -175.7 | -168 | -0.3 | 109.2 | Q184 T186 | Q184-R195 PolarHBondContact N-O 3.03Å; Q184-R195 PolarHBondContact O-N 3.4Å; T186-R195 WeakPolarHBondContact OG1-CD 3.49Å; T186-R195 PolarHBondContact OG1-NE 3.19Å |
| 196 | T | 77.9 | Confident | 80.2 | Confident | 124 Ų | 124 | 119.1 Ų | 119.1 | 76% | 0.761 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.6 | 134.8 | 167.5 | 49.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 197 | L | 72.5 | Confident | 79.5 | Confident | 98 Ų | 98 | 128.5 Ų | 128.5 | 51% | 0.513 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 143 | 174.8 | -68.1 | 174.3 | 0 | 0 | 0 | 110.6 | D182 Q184 | D182-L197 HydrophobicContact CB-CD1 4.34Å; Q184-L197 HydrophobicContact CB-CD2 3.87Å; Q184-L197 HydrophobicContact CB-CG 4.48Å |
| 198 | E | 77.8 | Confident | 79.6 | Confident | 177 Ų | 177 | 128.9 Ų | 128.9 | 83% | 0.827 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 140.7 | 175.5 | -69.4 | -176.1 | 177.7 | 0 | 0 | 110.5 | I200 | E198-I200 PolarHBondContact O-N 3.41Š|
| 199 | P | 80.1 | Confident | 79.4 | Confident | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 136 | 175.4 | -23.8 | 33.5 | 0 | 0 | 0 | 112.2 | ||
| 200 | I | 82.4 | Confident | 79.6 | Confident | 138 Ų | 138 | 131.8 Ų | 131.8 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.1 | 179.1 | -59.5 | 172.9 | 0 | 0 | 0 | 109.3 | E198 L202 | E198-I200 PolarHBondContact O-N 3.41Å; I200-L202 HydrophobicContact CG2-CD2 4.25Å; I200-L202 PolarHBondContact O-N 3.31Å |
| 201 | P | 83.4 | Confident | 79.5 | Confident | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -72 | 117 | 177 | 28.4 | -33.1 | 0 | 0 | 0 | 110.7 | ||
| 202 | L | 82.5 | Confident | 79.1 | Confident | 115 Ų | 115 | 139.6 Ų | 139.6 | 60% | 0.602 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 141.7 | 177 | -60.5 | 178.8 | 0 | 0 | 0 | 111.1 | L171 I200 | L171-L202 HydrophobicContact CD1-CD1 3.74Å; L171-L202 HydrophobicContact CD2-CD1 4.27Å; I200-L202 HydrophobicContact CG2-CD2 4.25Å; I200-L202 PolarHBondContact O-N 3.31Å |
| 203 | K | 86.8 | Confident | 78.7 | Confident | 163 Ų | 163 | 143.9 Ų | 143.9 | 71% | 0.709 | 70% | 0.702 | S | S | * | * | trans | -125 | 125.9 | 173 | -67.7 | -177.3 | -178.6 | 175.8 | 0 | 109.4 | Y205 | K203-Y205 HydrophobicContact CB-CE2 3.86Š| ||
| 204 | L | 82.4 | Confident | 78.5 | Confident | 84 Ų | 84 | 142.4 Ų | 142.4 | 44% | 0.44 | 71% | 0.708 | S | S | . | * | trans | -104 | 135.8 | 175.1 | -58.3 | 176.3 | 0 | 0 | 0 | 108.7 | F164 L167 L168 | F164-L204 HydrophobicContact CD1-CB 4.16Å; F164-L204 HydrophobicContact CD1-CD1 4.13Å; F164-L204 HydrophobicContact CE1-CB 4.39Å; L167-L204 HydrophobicContact CD2-CD1 4.03Å; L168-L204 HydrophobicContact CD1-CD1 4.32Å; L168-L204 HydrophobicContact CD2-CD1 3.71Å; L168-L204 HydrophobicContact CG-CD1 3.87Å | ||
| 205 | Y | 77.9 | Confident | 78.4 | Confident | 183 Ų | 183 | 144.8 Ų | 144.8 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | trans | -117.3 | 137.6 | 178.5 | -64.8 | -88.3 | 0 | 0 | 0 | 109 | K203 | K203-Y205 HydrophobicContact CB-CE2 3.86Š| ||
| 206 | R | 73.5 | Confident | 78.6 | Confident | 185 Ų | 185 | 145.4 Ų | 145.4 | 70% | 0.698 | 74% | 0.735 | S | S | * | * | trans | -116.8 | 137.3 | 173.2 | -176.2 | 178.1 | 178.9 | 167.3 | 3.9 | 107.9 | F164 | F164-R206 HydrophobicContact CE2-CB 3.9Å; F164-R206 HydrophobicContact CE2-CG 3.79Å; F164-R206 HydrophobicContact CZ-CB 3.93Å; F164-R206 HydrophobicContact CZ-CG 4.18Å | ||
| 207 | N | 66.4 | Low | 78.7 | Confident | 230 Ų | 230 | 147.4 Ų | 147.4 | 100% | 1.23 | 73% | 0.732 | S | S | * | * | trans | -77.9 | 0 | 173.2 | -66 | -26.2 | 0 | 0 | 0 | 111.2 |
Retrieved 207 of 207 residues in 47.2 ms
(Link to these results)