| 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 | 38.8 | Very low | 45.9 | Very low | 238 Ų | 238 | 154 Ų | 154 | 100% | 1.172 | 79% | 0.788 | S | S | * | * | 0 | 89.2 | 0 | -158.1 | 170.8 | -86.6 | 0 | 0 | 104.5 | |||||
| 2 | E | 45.4 | Very low | 45.3 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -71.3 | 131.6 | 176.8 | -71.7 | 164.5 | 152.5 | 0 | 0 | 107.5 | ||||
| 3 | L | 46.7 | Very low | 45.7 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -112.7 | 94 | 160.2 | -70.2 | 175.5 | 0 | 0 | 0 | 105.4 | D5 | L3-D5 PolarHBondContact O-N 3.18Š| ||
| 4 | E | 48.5 | Very low | 45.8 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -65.8 | 105.4 | 161.1 | -167.7 | 177.1 | -153.4 | 0 | 0 | 106.4 | ||||
| 5 | D | 48.8 | Very low | 45.7 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -108.1 | 75.3 | 168 | -162.1 | 28.7 | 0 | 0 | 0 | 107.6 | L3 V7 | L3-D5 PolarHBondContact O-N 3.18Å; D5-V7 VanDerWaalsContact C-N 3.33Å; D5-V7 PolarHBondContact O-N 3.29Å; D5-V7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | G | 45.8 | Very low | 45.3 | Very low | 59 Ų | 59 | 139.8 Ų | 139.8 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | -73.1 | 89.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | V8 | G6-V8 VanDerWaalsContact C-N 3.29Å; G6-V8 PolarHBondContact O-N 3.37Å | ||
| 7 | V | 48.3 | Very low | 45.3 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 56% | 0.558 | 78% | 0.783 | S | S | * | * | trans | -70.9 | 92.8 | 165.9 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | D5 Y9 | D5-V7 VanDerWaalsContact C-N 3.33Å; D5-V7 PolarHBondContact O-N 3.29Å; D5-V7 VanDerWaalsContact O-N 3.09Å; V7-Y9 HydrophobicContact CG1-CD2 4.16Å; V7-Y9 HydrophobicContact CG1-CE2 3.84Å; V7-Y9 PolarHBondContact O-N 3.06Å; V7-Y9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | V | 44.7 | Very low | 45.8 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | trans | -71 | 99.8 | 170.5 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | G6 Q10 | G6-V8 VanDerWaalsContact C-N 3.29Å; G6-V8 PolarHBondContact O-N 3.37Å; V8-Q10 HydrophobicContact CG1-CB 4.42Å; V8-Q10 PolarHBondContact O-N 2.93Å | ||
| 9 | Y | 45.3 | Very low | 46.6 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | trans | -67.3 | 91.5 | 160.4 | -74.9 | -85.4 | 0 | 0 | 0 | 107.6 | V7 E11 L77 | V7-Y9 HydrophobicContact CG1-CD2 4.16Å; V7-Y9 HydrophobicContact CG1-CE2 3.84Å; V7-Y9 PolarHBondContact O-N 3.06Å; V7-Y9 VanDerWaalsContact O-N 3.12Å; Y9-E11 VanDerWaalsContact C-N 3.33Å; Y9-E11 PolarHBondContact O-N 3.41Å; Y9-E11 VanDerWaalsContact O-N 3.12Å; Y9-L77 HydrophobicContact CE1-CD2 4.43Å; Y9-L77 WeakPolarHBondContact OH-CD2 3.29Å | ||
| 10 | Q | 45.9 | Very low | 47.9 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -76.4 | 92.8 | 167.8 | -159.3 | 169.9 | 15.6 | 0 | 0 | 106.7 | V8 E12 | V8-Q10 HydrophobicContact CG1-CB 4.42Å; V8-Q10 PolarHBondContact O-N 2.93Å; Q10-E12 PolarHBondContact O-N 2.96Å; Q10-E12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | E | 47.2 | Very low | 49.6 | Very low | 179 Ų | 179 | 124.5 Ų | 124.5 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -60.5 | 109.7 | 161.4 | -77.3 | -167.2 | 158.5 | 0 | 0 | 107.9 | Y9 P13 | Y9-E11 VanDerWaalsContact C-N 3.33Å; Y9-E11 PolarHBondContact O-N 3.41Å; Y9-E11 VanDerWaalsContact O-N 3.12Å; E11-P13 WeakPolarHBondContact O-CD 3.39Å | ||
| 12 | E | 38 | Very low | 51.8 | Low | 152 Ų | 152 | 121.7 Ų | 121.7 | 71% | 0.71 | 71% | 0.71 | S | S | * | * | trans | -75.3 | 114.2 | 164.8 | -83.2 | -73.2 | 128.5 | 0 | 0 | 108.5 | Q10 G14 | Q10-E12 PolarHBondContact O-N 2.96Å; Q10-E12 VanDerWaalsContact O-N 3.12Å; E12-G14 PolarHBondContact O-N 2.9Å | ||
| 13 | P | 51.1 | Low | 53.8 | Low | 126 Ų | 126 | 122.5 Ų | 122.5 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -88.4 | 94.9 | 179.8 | 33.3 | -25.6 | 0 | 0 | 0 | 108.7 | E11 | E11-P13 WeakPolarHBondContact O-CD 3.39Š| ||
| 14 | G | 46.4 | Very low | 56 | Low | 74 Ų | 74 | 114.7 Ų | 114.7 | 76% | 0.763 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 127 | 108.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E12 | E12-G14 PolarHBondContact O-N 2.9Š|
| 15 | G | 44.8 | Very low | 58.1 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | trans | 143.9 | 43.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 16 | S | 39.7 | Very low | 60.2 | Low | 113 Ų | 113 | 104 Ų | 104 | 79% | 0.79 | 63% | 0.628 | S | S | * | * | trans | -148.4 | 89.3 | 156.3 | -74.5 | 0 | 0 | 0 | 0 | 107 | A18 | S16-A18 VanDerWaalsContact C-N 3.27Å; S16-A18 PolarHBondContact O-N 3.16Å | ||
| 17 | G | 44.5 | Very low | 62.4 | Low | 75 Ų | 75 | 105 Ų | 105 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | trans | -55.1 | 108.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | V19 | G17-V19 PolarHBondContact O-N 3.08Š| ||
| 18 | A | 54.4 | Low | 64.6 | Low | 66 Ų | 66 | 101.2 Ų | 101.2 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | trans | -44.1 | 117.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | S16 M20 | S16-A18 VanDerWaalsContact C-N 3.27Å; S16-A18 PolarHBondContact O-N 3.16Å; A18-M20 PolarHBondContact O-N 3.41Å | ||
| 19 | V | 61.6 | Low | 67 | Low | 141 Ų | 141 | 97.1 Ų | 97.1 | 86% | 0.855 | 58% | 0.58 | S | S | * | * | trans | -63.2 | 113.8 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 105.2 | G17 S21 | G17-V19 PolarHBondContact O-N 3.08Å; V19-S21 PolarHBondContact O-N 2.86Å | ||
| 20 | M | 71.4 | Confident | 69.4 | Low | 68 Ų | 68 | 92.5 Ų | 92.5 | 34% | 0.335 | 57% | 0.572 | S | S | . | * | trans | -46.1 | 130.7 | -176.4 | -143 | -169.5 | -173.4 | 0 | 0 | 109.1 | A18 E22 V24 L58 D62 | A18-M20 PolarHBondContact O-N 3.41Å; M20-E22 PolarHBondContact O-N 2.76Å; M20-V24 HydrophobicContact CE-CG1 3.61Å; M20-V24 HydrophobicContact CG-CG1 4.47Å; M20-V24 HydrophobicContact SD-CG1 4.23Å; M20-L58 HydrophobicContact CE-CB 4.29Å; M20-D62 VanDerWaalsContact CA-OD1 3.29Å; M20-D62 WeakPolarHBondContact CA-OD1 3.28Å; M20-D62 HydrophobicContact CE-CB 3.93Å; M20-D62 HydrophobicContact CG-CB 4.01Å; M20-D62 VanDerWaalsContact CG-OD1 3.23Å; M20-D62 WeakPolarHBondContact CG-OD1 3.35Å; M20-D62 WeakPolarHBondContact CG-OD2 3.38Å | ||
| 21 | S | 85.3 | Confident | 71.7 | Confident | 28 Ų | 28 | 87.5 Ų | 87.5 | 20% | 0.196 | 55% | 0.55 | C | S | . | * | trans | -47.7 | 130.4 | -176.2 | 166.4 | 0 | 0 | 0 | 0 | 109.8 | V19 R23 V24 S25 D62 | V19-S21 PolarHBondContact O-N 2.86Å; S21-R23 PolarHBondContact O-N 3.15Å; S21-V24 CarbonylContact O-C 3.57Å; S21-V24 WeakPolarHBondContact O-CA 3.49Å; S21-V24 PolarHBondContact O-N 2.79Å; S21-S25 PolarHBondContact O-N 2.72Å; S21-D62 PolarHBondContact N-OD1 2.86Å | ||
| 22 | E | 83.7 | Confident | 73.9 | Confident | 180 Ų | 180 | 83.5 Ų | 83.5 | 84% | 0.841 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -54.7 | -29.9 | -176.5 | -167.8 | -180 | -171.8 | 0 | 0 | 111.5 | M20 G26 | M20-E22 PolarHBondContact O-N 2.76Å; E22-G26 PolarHBondContact O-N 3.26Å |
| 23 | R | 88.5 | Confident | 76.7 | Confident | 201 Ų | 201 | 84.3 Ų | 84.3 | 76% | 0.758 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.4 | -42.9 | 173.7 | -62.1 | -176 | -179 | 179.8 | 3 | 112.7 | S21 L27 | S21-R23 PolarHBondContact O-N 3.15Å; R23-L27 WeakPolarHBondContact O-CB 3.43Å; R23-L27 PolarHBondContact O-N 3.45Å |
| 24 | V | 92.9 | Very high | 78.8 | Confident | 4 Ų | 4 | 82.6 Ų | 82.6 | 2% | 0.024 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -70.5 | -39.9 | 178 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | M20 S21 L27 A28 L58 L61 D62 F65 | M20-V24 HydrophobicContact CE-CG1 3.61Å; M20-V24 HydrophobicContact CG-CG1 4.47Å; M20-V24 HydrophobicContact SD-CG1 4.23Å; S21-V24 CarbonylContact O-C 3.57Å; S21-V24 WeakPolarHBondContact O-CA 3.49Å; S21-V24 PolarHBondContact O-N 2.79Å; V24-L27 PolarHBondContact O-N 2.9Å; V24-A28 VanDerWaalsContact O-CB 3.26Å; V24-A28 WeakPolarHBondContact O-CB 3.2Å; V24-A28 PolarHBondContact O-N 3.12Å; V24-L58 HydrophobicContact CG1-CB 4.4Å; V24-L58 HydrophobicContact CG1-CD2 4Å; V24-L61 HydrophobicContact CG2-CB 4.28Å; V24-D62 HydrophobicContact CG1-CB 4.32Å; V24-F65 HydrophobicContact CG2-CD2 3.45Å; V24-F65 VanDerWaalsContact CG2-CD2 3.45Å; V24-F65 HydrophobicContact CG2-CE2 3.54Å |
| 25 | S | 92 | Very high | 81.1 | Confident | 66 Ų | 66 | 80 Ų | 80 | 46% | 0.462 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 173.9 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | S21 L27 A28 G29 | S21-S25 PolarHBondContact O-N 2.72Å; S25-L27 PolarHBondContact O-N 3.14Å; S25-A28 PolarHBondContact O-N 3.27Å; S25-G29 PolarHBondContact O-N 2.95Å |
| 26 | G | 92.1 | Very high | 83.4 | Confident | 41 Ų | 41 | 83.1 Ų | 83.1 | 42% | 0.423 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E22 S30 | E22-G26 PolarHBondContact O-N 3.26Å; G26-S30 PolarHBondContact O-N 3.25Å; G26-S30 VanDerWaalsContact O-N 3.12Å; G26-S30 PolarHBondContact O-OG 2.94Å |
| 27 | L | 93.8 | Very high | 86 | Confident | 82 Ų | 82 | 84 Ų | 84 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.7 | -46.3 | 174.9 | -174.9 | 65.1 | 0 | 0 | 0 | 111.2 | R23 V24 S25 G29 S30 I31 L58 | R23-L27 WeakPolarHBondContact O-CB 3.43Å; R23-L27 PolarHBondContact O-N 3.45Å; V24-L27 PolarHBondContact O-N 2.9Å; S25-L27 PolarHBondContact O-N 3.14Å; L27-G29 PolarHBondContact O-N 3.45Å; L27-S30 PolarHBondContact O-N 3.37Å; L27-S30 VanDerWaalsContact O-N 3.15Å; L27-I31 HydrophobicContact CD1-CD1 4.18Å; L27-I31 HydrophobicContact CD1-CG1 4.48Å; L27-I31 HydrophobicContact CD2-CD1 4.41Å; L27-I31 HydrophobicContact CG-CD1 3.8Å; L27-I31 HydrophobicContact CG-CG1 4.48Å; L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.03Å; L27-I31 PolarHBondContact O-N 3Å; L27-L58 HydrophobicContact CD2-CD2 4.24Å; L27-L58 HydrophobicContact CG-CD2 4.42Å |
| 28 | A | 94.4 | Very high | 88.3 | Confident | 11 Ų | 11 | 83.7 Ų | 83.7 | 9% | 0.091 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55 | -51 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V24 S25 S30 I31 Y32 L58 | V24-A28 VanDerWaalsContact O-CB 3.26Å; V24-A28 WeakPolarHBondContact O-CB 3.2Å; V24-A28 PolarHBondContact O-N 3.12Å; S25-A28 PolarHBondContact O-N 3.27Å; A28-S30 VanDerWaalsContact C-N 3.26Å; A28-S30 PolarHBondContact O-N 3.47Å; A28-I31 PolarHBondContact O-N 2.85Å; A28-I31 VanDerWaalsContact O-N 3.14Å; A28-Y32 HydrophobicContact CB-CD2 4.23Å; A28-Y32 HydrophobicContact CB-CE2 4.1Å; A28-Y32 WeakPolarHBondContact O-CB 3.5Å; A28-Y32 WeakPolarHBondContact O-CD2 3.49Å; A28-Y32 PolarHBondContact O-N 3.24Å; A28-L58 HydrophobicContact CB-CD1 3.68Å; A28-L58 HydrophobicContact CB-CD2 4.24Å |
| 29 | G | 93.7 | Very high | 90.1 | Very high | 37 Ų | 37 | 83.2 Ų | 83.2 | 38% | 0.381 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.1 | -33 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S25 L27 R33 | S25-G29 PolarHBondContact O-N 2.95Å; L27-G29 PolarHBondContact O-N 3.45Å; G29-R33 WeakPolarHBondContact O-CB 3.47Å; G29-R33 PolarHBondContact O-N 3.15Å |
| 30 | S | 95.6 | Very high | 91.5 | Very high | 70 Ų | 70 | 79.9 Ų | 79.9 | 49% | 0.49 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -72.4 | -41.9 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | G26 L27 A28 R33 E34 | G26-S30 PolarHBondContact O-N 3.25Å; G26-S30 VanDerWaalsContact O-N 3.12Å; G26-S30 PolarHBondContact O-OG 2.94Å; L27-S30 PolarHBondContact O-N 3.37Å; L27-S30 VanDerWaalsContact O-N 3.15Å; A28-S30 VanDerWaalsContact C-N 3.26Å; A28-S30 PolarHBondContact O-N 3.47Å; S30-R33 PolarHBondContact O-N 3Å; S30-E34 PolarHBondContact O-N 2.99Å |
| 31 | I | 94.3 | Very high | 92.5 | Very high | 46 Ų | 46 | 86 Ų | 86 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 178.9 | -65 | 165.2 | 0 | 0 | 0 | 111 | L27 A28 R33 E34 F35 V54 L58 | L27-I31 HydrophobicContact CD1-CD1 4.18Å; L27-I31 HydrophobicContact CD1-CG1 4.48Å; L27-I31 HydrophobicContact CD2-CD1 4.41Å; L27-I31 HydrophobicContact CG-CD1 3.8Å; L27-I31 HydrophobicContact CG-CG1 4.48Å; L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.03Å; L27-I31 PolarHBondContact O-N 3Å; A28-I31 PolarHBondContact O-N 2.85Å; A28-I31 VanDerWaalsContact O-N 3.14Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 3.32Å; I31-E34 PolarHBondContact O-N 3.23Å; I31-E34 VanDerWaalsContact O-N 3.15Å; I31-F35 HydrophobicContact CG2-CD2 3.75Å; I31-F35 HydrophobicContact CG2-CE2 3.39Å; I31-F35 HydrophobicContact CG2-CZ 4.05Å; I31-F35 WeakPolarHBondContact O-CD2 3.46Å; I31-F35 PolarHBondContact O-N 3Å; I31-V54 HydrophobicContact CD1-CG1 4.33Å; I31-V54 HydrophobicContact CG2-CG1 3.76Å; I31-L58 HydrophobicContact CD1-CD2 4.37Å |
| 32 | Y | 94.6 | Very high | 92.8 | Very high | 96 Ų | 96 | 92.5 Ų | 92.5 | 38% | 0.376 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 176.5 | -76.8 | -63.7 | 0 | 0 | 0 | 112.4 | A28 E34 F35 E36 V55 | A28-Y32 HydrophobicContact CB-CD2 4.23Å; A28-Y32 HydrophobicContact CB-CE2 4.1Å; A28-Y32 WeakPolarHBondContact O-CB 3.5Å; A28-Y32 WeakPolarHBondContact O-CD2 3.49Å; A28-Y32 PolarHBondContact O-N 3.24Å; Y32-E34 VanDerWaalsContact C-N 3.34Å; Y32-E34 PolarHBondContact O-N 2.85Å; Y32-F35 HydrophobicContact CD1-CD2 4.48Å; Y32-F35 PolarHBondContact O-N 3.48Å; Y32-E36 PolarHBondContact O-N 3.07Å; Y32-V55 WeakPolarHBondContact OH-CG2 3.42Å |
| 33 | R | 95.7 | Very high | 93.1 | Very high | 168 Ų | 168 | 89.4 Ų | 89.4 | 63% | 0.634 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.4 | -34.4 | 175.7 | -168.4 | -178 | -61 | 176.3 | 3 | 113.1 | G29 S30 I31 R37 | G29-R33 WeakPolarHBondContact O-CB 3.47Å; G29-R33 PolarHBondContact O-N 3.15Å; S30-R33 PolarHBondContact O-N 3Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 3.32Å; R33-R37 PolarHBondContact O-N 2.98Å |
| 34 | E | 94.8 | Very high | 93.2 | Very high | 91 Ų | 91 | 85.8 Ų | 85.8 | 43% | 0.425 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.6 | -37.8 | 173.6 | -70.6 | -59.7 | 139.4 | 0 | 0 | 111.6 | S30 I31 Y32 R37 L38 | S30-E34 PolarHBondContact O-N 2.99Å; I31-E34 PolarHBondContact O-N 3.23Å; I31-E34 VanDerWaalsContact O-N 3.15Å; Y32-E34 VanDerWaalsContact C-N 3.34Å; Y32-E34 PolarHBondContact O-N 2.85Å; E34-R37 WeakPolarHBondContact O-CB 3.24Å; E34-R37 PolarHBondContact O-N 2.87Å; E34-R37 IonicContact OE1-CZ 2.86Å; E34-R37 IonicContact OE1-NH1 2.79Å; E34-R37 PolarHBondContact OE1-NH1 2.81Å; E34-R37 IonicContact OE1-NH2 3.11Å; E34-R37 PolarHBondContact OE1-NH2 2.81Å; E34-R37 IonicContact OE2-CZ 2.86Å; E34-R37 IonicContact OE2-NH1 3.89Å; E34-R37 PolarHBondContact OE2-NH1 2.82Å; E34-R37 IonicContact OE2-NH2 3.46Å; E34-L38 PolarHBondContact O-N 3.27Å |
| 35 | F | 94.6 | Very high | 93.1 | Very high | 20 Ų | 20 | 91.6 Ų | 91.6 | 9% | 0.088 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 173 | -75.5 | -42.5 | 0 | 0 | 0 | 112.8 | I31 Y32 R37 L38 I39 V47 L50 V54 | I31-F35 HydrophobicContact CG2-CD2 3.75Å; I31-F35 HydrophobicContact CG2-CE2 3.39Å; I31-F35 HydrophobicContact CG2-CZ 4.05Å; I31-F35 WeakPolarHBondContact O-CD2 3.46Å; I31-F35 PolarHBondContact O-N 3Å; Y32-F35 HydrophobicContact CD1-CD2 4.48Å; Y32-F35 PolarHBondContact O-N 3.48Å; F35-R37 PolarHBondContact O-N 2.99Å; F35-L38 WeakPolarHBondContact O-CB 3.43Å; F35-L38 PolarHBondContact O-N 3.49Å; F35-L38 VanDerWaalsContact O-N 3.07Å; F35-I39 VanDerWaalsContact O-CG1 3.28Å; F35-I39 WeakPolarHBondContact O-CG1 3.3Å; F35-I39 PolarHBondContact O-N 3.33Å; F35-V47 HydrophobicContact CB-CG1 4.3Å; F35-V47 HydrophobicContact CD1-CB 4.36Å; F35-V47 HydrophobicContact CD1-CG1 3.35Å; F35-V47 HydrophobicContact CD1-CG2 4Å; F35-V47 HydrophobicContact CD2-CG1 4.37Å; F35-V47 HydrophobicContact CE1-CG1 3.6Å; F35-V47 HydrophobicContact CG-CG1 3.79Å; F35-V47 HydrophobicContact CZ-CG1 4.19Å; F35-L50 HydrophobicContact CE1-CD2 3.74Å; F35-L50 HydrophobicContact CE1-CG 4.12Å; F35-L50 HydrophobicContact CZ-CD2 4.08Å; F35-L50 HydrophobicContact CZ-CG 4.01Å; F35-V54 HydrophobicContact CE2-CB 4.15Å; F35-V54 HydrophobicContact CE2-CG1 4.06Å; F35-V54 HydrophobicContact CE2-CG2 4.08Å; F35-V54 HydrophobicContact CZ-CB 4.31Å; F35-V54 HydrophobicContact CZ-CG2 3.77Å |
| 36 | E | 93.8 | Very high | 93 | Very high | 141 Ų | 141 | 92.3 Ų | 92.3 | 66% | 0.659 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -55.3 | -40.7 | 173.3 | -77.2 | 179 | 172.4 | 0 | 0 | 112 | Y32 G40 | Y32-E36 PolarHBondContact O-N 3.07Å; E36-G40 PolarHBondContact O-N 3.06Å |
| 37 | R | 93.5 | Very high | 92.9 | Very high | 133 Ų | 133 | 90.5 Ų | 90.5 | 50% | 0.502 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.3 | -36 | 177.3 | -162.8 | -175.3 | -58.7 | 139.1 | 12.6 | 112.4 | R33 E34 F35 R41 | R33-R37 PolarHBondContact O-N 2.98Å; E34-R37 WeakPolarHBondContact O-CB 3.24Å; E34-R37 PolarHBondContact O-N 2.87Å; E34-R37 IonicContact OE1-CZ 2.86Å; E34-R37 IonicContact OE1-NH1 2.79Å; E34-R37 PolarHBondContact OE1-NH1 2.81Å; E34-R37 IonicContact OE1-NH2 3.11Å; E34-R37 PolarHBondContact OE1-NH2 2.81Å; E34-R37 IonicContact OE2-CZ 2.86Å; E34-R37 IonicContact OE2-NH1 3.89Å; E34-R37 PolarHBondContact OE2-NH1 2.82Å; E34-R37 IonicContact OE2-NH2 3.46Å; F35-R37 PolarHBondContact O-N 2.99Å; R37-R41 WeakPolarHBondContact O-CG 3.41Å; R37-R41 PolarHBondContact O-N 3.23Å |
| 38 | L | 92.8 | Very high | 92.8 | Very high | 68 Ų | 68 | 92.3 Ų | 92.3 | 36% | 0.356 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.3 | -47.8 | 177.6 | -129.1 | 99.4 | 0 | 0 | 0 | 111.2 | E34 F35 G40 R41 Y42 V46 V47 | E34-L38 PolarHBondContact O-N 3.27Å; F35-L38 WeakPolarHBondContact O-CB 3.43Å; F35-L38 PolarHBondContact O-N 3.49Å; F35-L38 VanDerWaalsContact O-N 3.07Å; L38-G40 VanDerWaalsContact C-N 3.3Å; L38-G40 PolarHBondContact O-N 3.04Å; L38-R41 PolarHBondContact O-N 3.42Å; L38-R41 VanDerWaalsContact O-N 3.08Å; L38-Y42 PolarHBondContact O-N 2.92Å; L38-V46 HydrophobicContact CD2-CG1 3.85Å; L38-V47 HydrophobicContact CB-CG2 4.21Å; L38-V47 HydrophobicContact CD2-CG2 3.93Å |
| 39 | I | 92.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 99.9 Ų | 99.9 | 28% | 0.282 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -44 | 177.3 | -64.5 | 166.7 | 0 | 0 | 0 | 109.9 | F35 R41 D43 E44 V47 | F35-I39 VanDerWaalsContact O-CG1 3.28Å; F35-I39 WeakPolarHBondContact O-CG1 3.3Å; F35-I39 PolarHBondContact O-N 3.33Å; I39-R41 PolarHBondContact O-N 2.81Å; I39-R41 VanDerWaalsContact O-N 3.16Å; I39-D43 WeakPolarHBondContact O-CA 3.26Å; I39-D43 PolarHBondContact O-N 3Å; I39-E44 HydrophobicContact CG2-CB 4.38Å; I39-V47 HydrophobicContact CG1-CB 4.44Å; I39-V47 HydrophobicContact CG1-CG2 3.96Å |
| 40 | G | 91.2 | Very high | 92.8 | Very high | 72 Ų | 72 | 102 Ų | 102 | 74% | 0.742 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.1 | -17.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E36 L38 | E36-G40 PolarHBondContact O-N 3.06Å; L38-G40 VanDerWaalsContact C-N 3.3Å; L38-G40 PolarHBondContact O-N 3.04Å |
| 41 | R | 92.7 | Very high | 92.7 | Very high | 197 Ų | 197 | 102 Ų | 102 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -105.8 | -32.7 | -179.3 | -71.6 | -94.4 | -163.8 | 160.9 | 4.6 | 113.4 | R37 L38 I39 | R37-R41 WeakPolarHBondContact O-CG 3.41Å; R37-R41 PolarHBondContact O-N 3.23Å; L38-R41 PolarHBondContact O-N 3.42Å; L38-R41 VanDerWaalsContact O-N 3.08Å; I39-R41 PolarHBondContact O-N 2.81Å; I39-R41 VanDerWaalsContact O-N 3.16Å |
| 42 | Y | 91.3 | Very high | 92.7 | Very high | 163 Ų | 163 | 103.6 Ų | 103.6 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -132.7 | 7.1 | -166.5 | -61.4 | -80.7 | 0 | 0 | 0 | 114.5 | L38 V46 | L38-Y42 PolarHBondContact O-N 2.92Å; Y42-V46 WeakPolarHBondContact O-CG2 3.17Å |
| 43 | D | 91.1 | Very high | 92.8 | Very high | 116 Ų | 116 | 104.4 Ų | 104.4 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | trans | 72.5 | 169.3 | -175.9 | -146 | -21.9 | 0 | 0 | 0 | 114 | I39 | I39-D43 WeakPolarHBondContact O-CA 3.26Å; I39-D43 PolarHBondContact O-N 3Å | ||
| 44 | E | 89.3 | Confident | 92.7 | Very high | 125 Ų | 125 | 97.7 Ų | 97.7 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -71.3 | -30 | -171.8 | -170.8 | 177.2 | 175.4 | 0 | 0 | 113.4 | I39 V46 V47 K48 | I39-E44 HydrophobicContact CG2-CB 4.38Å; E44-V46 PolarHBondContact O-N 3.12Å; E44-V47 PolarHBondContact O-N 3.43Å; E44-K48 PolarHBondContact O-N 2.91Å |
| 45 | E | 91.1 | Very high | 92.7 | Very high | 125 Ų | 125 | 95.2 Ų | 95.2 | 58% | 0.584 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -60.8 | -23.1 | -175.3 | -67.1 | -62.6 | 146.2 | 0 | 0 | 113.3 | V47 K48 | E45-V47 VanDerWaalsContact C-N 3.32Å; E45-V47 PolarHBondContact O-N 2.94Å; E45-K48 VanDerWaalsContact CD-NZ 3.29Å; E45-K48 IonicContact OE1-NZ 2.9Å; E45-K48 PolarHBondContact OE1-NZ 3.23Å; E45-K48 WeakPolarHBondContact OE2-CD 3.23Å; E45-K48 IonicContact OE2-NZ 2.8Å; E45-K48 PolarHBondContact OE2-NZ 2.91Å |
| 46 | V | 89.6 | Confident | 92.8 | Very high | 82 Ų | 82 | 96.1 Ų | 96.1 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -71.1 | -26.9 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | L38 Y42 E44 | L38-V46 HydrophobicContact CD2-CG1 3.85Å; Y42-V46 WeakPolarHBondContact O-CG2 3.17Å; E44-V46 PolarHBondContact O-N 3.12Å |
| 47 | V | 91.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 93.4 Ų | 93.4 | 1% | 0.012 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -15.4 | -173.6 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | F35 L38 I39 E44 E45 E49 L50 M51 | F35-V47 HydrophobicContact CB-CG1 4.3Å; F35-V47 HydrophobicContact CD1-CB 4.36Å; F35-V47 HydrophobicContact CD1-CG1 3.35Å; F35-V47 HydrophobicContact CD1-CG2 4Å; F35-V47 HydrophobicContact CD2-CG1 4.37Å; F35-V47 HydrophobicContact CE1-CG1 3.6Å; F35-V47 HydrophobicContact CG-CG1 3.79Å; F35-V47 HydrophobicContact CZ-CG1 4.19Å; L38-V47 HydrophobicContact CB-CG2 4.21Å; L38-V47 HydrophobicContact CD2-CG2 3.93Å; I39-V47 HydrophobicContact CG1-CB 4.44Å; I39-V47 HydrophobicContact CG1-CG2 3.96Å; E44-V47 PolarHBondContact O-N 3.43Å; E45-V47 VanDerWaalsContact C-N 3.32Å; E45-V47 PolarHBondContact O-N 2.94Å; V47-E49 PolarHBondContact O-N 3.11Å; V47-L50 PolarHBondContact O-N 3.3Å; V47-M51 HydrophobicContact CG1-CB 4.18Å; V47-M51 HydrophobicContact CG1-CE 3.85Å; V47-M51 PolarHBondContact O-N 2.86Å |
| 48 | K | 91.5 | Very high | 93 | Very high | 120 Ų | 120 | 87.4 Ų | 87.4 | 52% | 0.522 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -41.9 | -172.7 | -168.1 | 175.7 | -175.1 | 169.9 | 0 | 115.3 | E44 E45 P52 | E44-K48 PolarHBondContact O-N 2.91Å; E45-K48 VanDerWaalsContact CD-NZ 3.29Å; E45-K48 IonicContact OE1-NZ 2.9Å; E45-K48 PolarHBondContact OE1-NZ 3.23Å; E45-K48 WeakPolarHBondContact OE2-CD 3.23Å; E45-K48 IonicContact OE2-NZ 2.8Å; E45-K48 PolarHBondContact OE2-NZ 2.91Å; K48-P52 VanDerWaalsContact O-CD 3.24Å; K48-P52 WeakPolarHBondContact O-CD 3.29Å |
| 49 | E | 93.2 | Very high | 93 | Very high | 170 Ų | 170 | 89.9 Ų | 89.9 | 79% | 0.794 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -24.3 | 177 | -64.8 | -174 | 174.9 | 0 | 0 | 113 | V47 | V47-E49 PolarHBondContact O-N 3.11Š|
| 50 | L | 93.5 | Very high | 93.1 | Very high | 83 Ų | 83 | 92.2 Ų | 92.2 | 44% | 0.435 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -83 | -33.6 | -176.7 | -177.6 | 57.5 | 0 | 0 | 0 | 112.3 | F35 V47 L53 V54 | F35-L50 HydrophobicContact CE1-CD2 3.74Å; F35-L50 HydrophobicContact CE1-CG 4.12Å; F35-L50 HydrophobicContact CZ-CD2 4.08Å; F35-L50 HydrophobicContact CZ-CG 4.01Å; V47-L50 PolarHBondContact O-N 3.3Å; L50-L53 WeakPolarHBondContact O-CB 3.36Å; L50-L53 PolarHBondContact O-N 2.92Å; L50-V54 HydrophobicContact CD1-CG2 4.31Å; L50-V54 HydrophobicContact CG-CG2 4.37Å; L50-V54 PolarHBondContact O-N 3.18Å |
| 51 | M | 93.6 | Very high | 93.2 | Very high | 69 Ų | 69 | 92 Ų | 92 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | -178.1 | -171.9 | 172.9 | -67.7 | 0 | 0 | 112.7 | V47 L53 V54 V55 | V47-M51 HydrophobicContact CG1-CB 4.18Å; V47-M51 HydrophobicContact CG1-CE 3.85Å; V47-M51 PolarHBondContact O-N 2.86Å; M51-L53 VanDerWaalsContact C-N 3.26Å; M51-L53 PolarHBondContact O-N 3.24Å; M51-V54 PolarHBondContact O-N 3.05Å; M51-V55 HydrophobicContact CG-CG2 4.38Å; M51-V55 WeakPolarHBondContact O-CG2 3.36Å; M51-V55 PolarHBondContact O-N 3.31Å |
| 52 | P | 94.7 | Very high | 93.3 | Very high | 80 Ų | 80 | 84 Ų | 84 | 52% | 0.519 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.8 | -35.3 | 177.6 | -22.9 | 34.1 | 0 | 0 | 0 | 113.3 | K48 A56 | K48-P52 VanDerWaalsContact O-CD 3.24Å; K48-P52 WeakPolarHBondContact O-CD 3.29Å; P52-A56 VanDerWaalsContact O-CB 3.31Å; P52-A56 WeakPolarHBondContact O-CB 3.38Å; P52-A56 PolarHBondContact O-N 3.34Å |
| 53 | L | 96.2 | Very high | 93.4 | Very high | 113 Ų | 113 | 79 Ų | 79 | 59% | 0.592 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.7 | -43.3 | 177.2 | -63.9 | 173.9 | 0 | 0 | 0 | 111.4 | L50 M51 A56 V57 | L50-L53 WeakPolarHBondContact O-CB 3.36Å; L50-L53 PolarHBondContact O-N 2.92Å; M51-L53 VanDerWaalsContact C-N 3.26Å; M51-L53 PolarHBondContact O-N 3.24Å; L53-A56 PolarHBondContact O-N 2.96Å; L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.45Å; L53-V57 PolarHBondContact O-N 3.3Å |
| 54 | V | 95.4 | Very high | 93.5 | Very high | 27 Ų | 27 | 77.7 Ų | 77.7 | 16% | 0.164 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | I31 F35 L50 M51 V57 L58 | I31-V54 HydrophobicContact CD1-CG1 4.33Å; I31-V54 HydrophobicContact CG2-CG1 3.76Å; F35-V54 HydrophobicContact CE2-CB 4.15Å; F35-V54 HydrophobicContact CE2-CG1 4.06Å; F35-V54 HydrophobicContact CE2-CG2 4.08Å; F35-V54 HydrophobicContact CZ-CB 4.31Å; F35-V54 HydrophobicContact CZ-CG2 3.77Å; L50-V54 HydrophobicContact CD1-CG2 4.31Å; L50-V54 HydrophobicContact CG-CG2 4.37Å; L50-V54 PolarHBondContact O-N 3.18Å; M51-V54 PolarHBondContact O-N 3.05Å; V54-V57 PolarHBondContact O-N 3.28Å; V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 HydrophobicContact CG1-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CG 3.5Å; V54-L58 PolarHBondContact O-N 3.23Å |
| 55 | V | 94.1 | Very high | 93.7 | Very high | 39 Ų | 39 | 75.5 Ų | 75.5 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59 | -48.9 | 174.8 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | Y32 M51 V57 L58 E59 | Y32-V55 WeakPolarHBondContact OH-CG2 3.42Å; M51-V55 HydrophobicContact CG-CG2 4.38Å; M51-V55 WeakPolarHBondContact O-CG2 3.36Å; M51-V55 PolarHBondContact O-N 3.31Å; V55-V57 VanDerWaalsContact C-N 3.29Å; V55-V57 PolarHBondContact O-N 2.91Å; V55-L58 PolarHBondContact O-N 3.19Å; V55-L58 VanDerWaalsContact O-N 3.11Å; V55-E59 HydrophobicContact CG1-CG 4.17Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.5Å; V55-E59 WeakPolarHBondContact O-CB 3.32Å; V55-E59 WeakPolarHBondContact O-CG 3.31Å; V55-E59 PolarHBondContact O-N 3.45Å |
| 56 | A | 95.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 71.4 Ų | 71.4 | 31% | 0.314 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P52 L53 N60 | P52-A56 VanDerWaalsContact O-CB 3.31Å; P52-A56 WeakPolarHBondContact O-CB 3.38Å; P52-A56 PolarHBondContact O-N 3.34Å; L53-A56 PolarHBondContact O-N 2.96Å; A56-N60 VanDerWaalsContact O-CB 3.31Å; A56-N60 WeakPolarHBondContact O-CB 3.13Å; A56-N60 PolarHBondContact O-N 2.93Å; A56-N60 PolarHBondContact O-ND2 2.97Å |
| 57 | V | 96.3 | Very high | 93.9 | Very high | 85 Ų | 85 | 72.1 Ų | 72.1 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 175 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | L53 V54 V55 N60 L61 | L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.45Å; L53-V57 PolarHBondContact O-N 3.3Å; V54-V57 PolarHBondContact O-N 3.28Å; V55-V57 VanDerWaalsContact C-N 3.29Å; V55-V57 PolarHBondContact O-N 2.91Å; V57-N60 PolarHBondContact O-N 3.12Å; V57-L61 HydrophobicContact CG1-CD1 4.07Å; V57-L61 HydrophobicContact CG1-CG 4.47Å; V57-L61 WeakPolarHBondContact O-CB 3.47Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.28Å; V57-L61 PolarHBondContact O-N 3.12Å |
| 58 | L | 95.3 | Very high | 94 | Very high | 6 Ų | 6 | 77.1 Ų | 77.1 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.5 | -41 | 178.9 | -70.3 | 169.1 | 0 | 0 | 0 | 112.1 | M20 V24 L27 A28 I31 V54 V55 L61 D62 | M20-L58 HydrophobicContact CE-CB 4.29Å; V24-L58 HydrophobicContact CG1-CB 4.4Å; V24-L58 HydrophobicContact CG1-CD2 4Å; L27-L58 HydrophobicContact CD2-CD2 4.24Å; L27-L58 HydrophobicContact CG-CD2 4.42Å; A28-L58 HydrophobicContact CB-CD1 3.68Å; A28-L58 HydrophobicContact CB-CD2 4.24Å; I31-L58 HydrophobicContact CD1-CD2 4.37Å; V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 HydrophobicContact CG1-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CG 3.5Å; V54-L58 PolarHBondContact O-N 3.23Å; V55-L58 PolarHBondContact O-N 3.19Å; V55-L58 VanDerWaalsContact O-N 3.11Å; L58-L61 PolarHBondContact O-N 3.39Å; L58-D62 WeakPolarHBondContact O-CB 3.47Å; L58-D62 PolarHBondContact O-N 2.93Å |
| 59 | E | 93 | Very high | 94.1 | Very high | 120 Ų | 120 | 78.1 Ų | 78.1 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 174.4 | -72 | 174.5 | 167.1 | 0 | 0 | 111.7 | V55 D62 S63 | V55-E59 HydrophobicContact CG1-CG 4.17Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.5Å; V55-E59 WeakPolarHBondContact O-CB 3.32Å; V55-E59 WeakPolarHBondContact O-CG 3.31Å; V55-E59 PolarHBondContact O-N 3.45Å; E59-D62 PolarHBondContact O-N 3.43Å; E59-S63 WeakPolarHBondContact O-CB 3.31Å; E59-S63 PolarHBondContact O-N 2.95Å |
| 60 | N | 94.7 | Very high | 94.2 | Very high | 105 Ų | 105 | 76.5 Ų | 76.5 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 176 | -77.5 | -45.3 | 0 | 0 | 0 | 112 | A56 V57 S63 V64 | A56-N60 VanDerWaalsContact O-CB 3.31Å; A56-N60 WeakPolarHBondContact O-CB 3.13Å; A56-N60 PolarHBondContact O-N 2.93Å; A56-N60 PolarHBondContact O-ND2 2.97Å; V57-N60 PolarHBondContact O-N 3.12Å; N60-S63 PolarHBondContact O-N 3.09Å; N60-V64 VanDerWaalsContact O-CG2 3.31Å; N60-V64 WeakPolarHBondContact O-CG2 3.3Å; N60-V64 PolarHBondContact O-N 3.15Å |
| 61 | L | 94.1 | Very high | 94.3 | Very high | 68 Ų | 68 | 77.2 Ų | 77.2 | 36% | 0.356 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.4 | -75.6 | 172.4 | 0 | 0 | 0 | 111.3 | V24 V57 L58 V64 F65 | V24-L61 HydrophobicContact CG2-CB 4.28Å; V57-L61 HydrophobicContact CG1-CD1 4.07Å; V57-L61 HydrophobicContact CG1-CG 4.47Å; V57-L61 WeakPolarHBondContact O-CB 3.47Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.28Å; V57-L61 PolarHBondContact O-N 3.12Å; L58-L61 PolarHBondContact O-N 3.39Å; L61-V64 PolarHBondContact O-N 2.92Å; L61-F65 WeakPolarHBondContact O-CD2 3.15Å; L61-F65 PolarHBondContact O-N 3.47Å |
| 62 | D | 94 | Very high | 94.5 | Very high | 29 Ų | 29 | 78.6 Ų | 78.6 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 178.9 | -161 | 54.1 | 0 | 0 | 0 | 112.4 | M20 S21 V24 L58 E59 V64 F65 A66 | M20-D62 VanDerWaalsContact CA-OD1 3.29Å; M20-D62 WeakPolarHBondContact CA-OD1 3.28Å; M20-D62 HydrophobicContact CE-CB 3.93Å; M20-D62 HydrophobicContact CG-CB 4.01Å; M20-D62 VanDerWaalsContact CG-OD1 3.23Å; M20-D62 WeakPolarHBondContact CG-OD1 3.35Å; M20-D62 WeakPolarHBondContact CG-OD2 3.38Å; S21-D62 PolarHBondContact N-OD1 2.86Å; V24-D62 HydrophobicContact CG1-CB 4.32Å; L58-D62 WeakPolarHBondContact O-CB 3.47Å; L58-D62 PolarHBondContact O-N 2.93Å; E59-D62 PolarHBondContact O-N 3.43Å; D62-V64 VanDerWaalsContact C-N 3.35Å; D62-V64 PolarHBondContact O-N 2.99Å; D62-F65 PolarHBondContact O-N 2.81Å; D62-A66 PolarHBondContact O-N 2.93Å |
| 63 | S | 92.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 78.4 Ų | 78.4 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 173 | -179 | 0 | 0 | 0 | 0 | 112.2 | E59 N60 F65 A66 Q67 | E59-S63 WeakPolarHBondContact O-CB 3.31Å; E59-S63 PolarHBondContact O-N 2.95Å; N60-S63 PolarHBondContact O-N 3.09Å; S63-F65 PolarHBondContact O-N 3.49Å; S63-A66 PolarHBondContact O-N 3.36Å; S63-Q67 WeakPolarHBondContact O-CG 3.4Å; S63-Q67 PolarHBondContact O-N 2.95Å |
| 64 | V | 94.3 | Very high | 94.7 | Very high | 88 Ų | 88 | 78.1 Ų | 78.1 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | N60 L61 D62 Q67 D68 | N60-V64 VanDerWaalsContact O-CG2 3.31Å; N60-V64 WeakPolarHBondContact O-CG2 3.3Å; N60-V64 PolarHBondContact O-N 3.15Å; L61-V64 PolarHBondContact O-N 2.92Å; D62-V64 VanDerWaalsContact C-N 3.35Å; D62-V64 PolarHBondContact O-N 2.99Å; V64-Q67 PolarHBondContact O-N 3.07Å; V64-D68 WeakPolarHBondContact O-CB 3.36Å; V64-D68 PolarHBondContact O-N 3Å |
| 65 | F | 92.8 | Very high | 94.8 | Very high | 78 Ų | 78 | 82 Ų | 82 | 34% | 0.342 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 175.2 | -83.6 | -66.5 | 0 | 0 | 0 | 112.7 | V24 L61 D62 S63 D68 Q69 | V24-F65 HydrophobicContact CG2-CD2 3.45Å; V24-F65 VanDerWaalsContact CG2-CD2 3.45Å; V24-F65 HydrophobicContact CG2-CE2 3.54Å; L61-F65 WeakPolarHBondContact O-CD2 3.15Å; L61-F65 PolarHBondContact O-N 3.47Å; D62-F65 PolarHBondContact O-N 2.81Å; S63-F65 PolarHBondContact O-N 3.49Å; F65-D68 PolarHBondContact O-N 3.32Å; F65-Q69 PolarHBondContact O-N 3.33Å |
| 66 | A | 90.8 | Very high | 95 | Very high | 40 Ų | 40 | 84.9 Ų | 84.9 | 33% | 0.331 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | D62 S63 Q69 E70 | D62-A66 PolarHBondContact O-N 2.93Å; S63-A66 PolarHBondContact O-N 3.36Å; A66-Q69 PolarHBondContact O-N 3.02Å; A66-E70 PolarHBondContact O-N 2.92Å |
| 67 | Q | 93.3 | Very high | 95.1 | Very high | 97 Ų | 97 | 86.2 Ų | 86.2 | 45% | 0.453 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 175.4 | -71.4 | 177.2 | -0.7 | 0 | 0 | 112.5 | S63 V64 Q69 E70 H71 | S63-Q67 WeakPolarHBondContact O-CG 3.4Å; S63-Q67 PolarHBondContact O-N 2.95Å; V64-Q67 PolarHBondContact O-N 3.07Å; Q67-Q69 VanDerWaalsContact C-N 3.32Å; Q67-Q69 PolarHBondContact O-N 2.92Å; Q67-E70 PolarHBondContact O-N 3.15Å; Q67-H71 VanDerWaalsContact O-CG 3.28Å; Q67-H71 PolarHBondContact O-N 2.96Å; Q67-H71 PolarHBondContact O-ND1 3.31Å; Q67-H71 VanDerWaalsContact O-ND1 3.15Å |
| 68 | D | 93.7 | Very high | 95.3 | Very high | 107 Ų | 107 | 86.8 Ų | 86.8 | 57% | 0.572 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 176.7 | -167.4 | 62.6 | 0 | 0 | 0 | 111.6 | V64 F65 Q72 | V64-D68 WeakPolarHBondContact O-CB 3.36Å; V64-D68 PolarHBondContact O-N 3Å; F65-D68 PolarHBondContact O-N 3.32Å; D68-Q72 WeakPolarHBondContact O-CB 3.31Å; D68-Q72 PolarHBondContact O-N 3.48Å |
| 69 | Q | 94.3 | Very high | 95.4 | Very high | 141 Ų | 141 | 94.5 Ų | 94.5 | 66% | 0.659 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.6 | -40.4 | 175 | -173.2 | 173.4 | 7.8 | 0 | 0 | 112.2 | F65 A66 Q67 Q72 V73 | F65-Q69 PolarHBondContact O-N 3.33Å; A66-Q69 PolarHBondContact O-N 3.02Å; Q67-Q69 VanDerWaalsContact C-N 3.32Å; Q67-Q69 PolarHBondContact O-N 2.92Å; Q69-Q72 PolarHBondContact O-N 3.41Å; Q69-V73 WeakPolarHBondContact O-CG2 3.44Å; Q69-V73 PolarHBondContact O-N 3.01Å; Q69-V73 VanDerWaalsContact O-N 3.07Å |
| 70 | E | 94.8 | Very high | 95.7 | Very high | 136 Ų | 136 | 92.7 Ų | 92.7 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.6 | -48.6 | 175.3 | -173 | 177.9 | -178.1 | 0 | 0 | 111.3 | A66 Q67 Q72 V73 E74 | A66-E70 PolarHBondContact O-N 2.92Å; Q67-E70 PolarHBondContact O-N 3.15Å; E70-Q72 VanDerWaalsContact C-N 3.29Å; E70-Q72 PolarHBondContact O-N 3.49Å; E70-V73 PolarHBondContact O-N 3.03Å; E70-V73 VanDerWaalsContact O-N 3.15Å; E70-E74 PolarHBondContact O-N 3.44Å |
| 71 | H | 96.6 | Very high | 95.8 | Very high | 97 Ų | 97 | 91.5 Ų | 91.5 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 175.4 | -65.1 | 143.7 | 0 | 0 | 0 | 112.5 | Q67 V73 E74 L75 | Q67-H71 VanDerWaalsContact O-CG 3.28Å; Q67-H71 PolarHBondContact O-N 2.96Å; Q67-H71 PolarHBondContact O-ND1 3.31Å; Q67-H71 VanDerWaalsContact O-ND1 3.15Å; H71-V73 VanDerWaalsContact C-N 3.32Å; H71-V73 PolarHBondContact O-N 2.97Å; H71-E74 PolarHBondContact O-N 3.2Å; H71-L75 WeakPolarHBondContact O-CB 3.35Å; H71-L75 VanDerWaalsContact O-CG 3.29Å; H71-L75 WeakPolarHBondContact O-CG 3.41Å; H71-L75 PolarHBondContact O-N 3.32Å |
| 72 | Q | 97 | Very high | 96.1 | Very high | 98 Ų | 98 | 92.6 Ų | 92.6 | 46% | 0.458 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 175.7 | -179.9 | 61 | 36 | 0 | 0 | 111.4 | D68 Q69 E70 L75 E76 | D68-Q72 WeakPolarHBondContact O-CB 3.31Å; D68-Q72 PolarHBondContact O-N 3.48Å; Q69-Q72 PolarHBondContact O-N 3.41Å; E70-Q72 VanDerWaalsContact C-N 3.29Å; E70-Q72 PolarHBondContact O-N 3.49Å; Q72-L75 PolarHBondContact O-N 3.02Å; Q72-E76 PolarHBondContact NE2-OE1 2.92Å; Q72-E76 PolarHBondContact O-N 3.44Å; Q72-E76 VanDerWaalsContact O-N 3.11Å |
| 73 | V | 97.9 | Very high | 96.3 | Very high | 77 Ų | 77 | 96.5 Ų | 96.5 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 111 | Q69 E70 H71 L75 E76 L77 | Q69-V73 WeakPolarHBondContact O-CG2 3.44Å; Q69-V73 PolarHBondContact O-N 3.01Å; Q69-V73 VanDerWaalsContact O-N 3.07Å; E70-V73 PolarHBondContact O-N 3.03Å; E70-V73 VanDerWaalsContact O-N 3.15Å; H71-V73 VanDerWaalsContact C-N 3.32Å; H71-V73 PolarHBondContact O-N 2.97Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 2.99Å; V73-E76 PolarHBondContact O-N 3.2Å; V73-L77 HydrophobicContact CG1-CD1 4.03Å; V73-L77 PolarHBondContact O-N 3.43Å |
| 74 | E | 97.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 175.9 | -172.2 | -177.8 | -173.7 | 0 | 0 | 111.8 | E70 H71 E76 L77 L78 | E70-E74 PolarHBondContact O-N 3.44Å; H71-E74 PolarHBondContact O-N 3.2Å; E74-E76 VanDerWaalsContact C-N 3.32Å; E74-E76 PolarHBondContact O-N 3.11Å; E74-L77 PolarHBondContact O-N 2.88Å; E74-L78 HydrophobicContact CG-CD1 4.2Å; E74-L78 WeakPolarHBondContact O-CB 3.41Å; E74-L78 WeakPolarHBondContact O-CG 3.37Å; E74-L78 PolarHBondContact O-N 3.35Å |
| 75 | L | 98.2 | Very high | 96.8 | Very high | 107 Ų | 107 | 100 Ų | 100 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 176 | -77.4 | 171.3 | 0 | 0 | 0 | 112.5 | H71 Q72 V73 R79 | H71-L75 WeakPolarHBondContact O-CB 3.35Å; H71-L75 VanDerWaalsContact O-CG 3.29Å; H71-L75 WeakPolarHBondContact O-CG 3.41Å; H71-L75 PolarHBondContact O-N 3.32Å; Q72-L75 PolarHBondContact O-N 3.02Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 2.99Å; L75-R79 VanDerWaalsContact O-CB 3.27Å; L75-R79 WeakPolarHBondContact O-CB 3.41Å; L75-R79 PolarHBondContact O-N 2.96Å |
| 76 | E | 98.1 | Very high | 97.1 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 175.9 | -76.6 | 176.1 | -166.4 | 0 | 0 | 111.5 | Q72 V73 E74 R79 D80 | Q72-E76 PolarHBondContact NE2-OE1 2.92Å; Q72-E76 PolarHBondContact O-N 3.44Å; Q72-E76 VanDerWaalsContact O-N 3.11Å; V73-E76 PolarHBondContact O-N 3.2Å; E74-E76 VanDerWaalsContact C-N 3.32Å; E74-E76 PolarHBondContact O-N 3.11Å; E76-R79 WeakPolarHBondContact O-CB 3.47Å; E76-R79 PolarHBondContact O-N 3.46Å; E76-D80 PolarHBondContact O-N 3.36Å |
| 77 | L | 98.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 102.3 Ų | 102.3 | 34% | 0.34 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 174.6 | -76.8 | 160.5 | 0 | 0 | 0 | 112.1 | Y9 V73 E74 R79 D80 D81 | Y9-L77 HydrophobicContact CE1-CD2 4.43Å; Y9-L77 WeakPolarHBondContact OH-CD2 3.29Å; V73-L77 HydrophobicContact CG1-CD1 4.03Å; V73-L77 PolarHBondContact O-N 3.43Å; E74-L77 PolarHBondContact O-N 2.88Å; L77-R79 PolarHBondContact O-N 3.4Å; L77-D80 PolarHBondContact O-N 3Å; L77-D81 PolarHBondContact O-N 3.05Å |
| 78 | L | 98.4 | Very high | 97.7 | Very high | 98 Ų | 98 | 103.7 Ų | 103.7 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -33.1 | 177.8 | -72.7 | 173.6 | 0 | 0 | 0 | 112.3 | E74 N82 | E74-L78 HydrophobicContact CG-CD1 4.2Å; E74-L78 WeakPolarHBondContact O-CB 3.41Å; E74-L78 WeakPolarHBondContact O-CG 3.37Å; E74-L78 PolarHBondContact O-N 3.35Å; L78-N82 WeakPolarHBondContact O-CB 3.27Å; L78-N82 PolarHBondContact O-N 3.03Å |
| 79 | R | 98.5 | Very high | 97.9 | Very high | 168 Ų | 168 | 105.5 Ų | 105.5 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.8 | -43.7 | 175.7 | -179.5 | -179.6 | 165 | -122.7 | -15.3 | 111.1 | L75 E76 L77 N82 E83 | L75-R79 VanDerWaalsContact O-CB 3.27Å; L75-R79 WeakPolarHBondContact O-CB 3.41Å; L75-R79 PolarHBondContact O-N 2.96Å; E76-R79 WeakPolarHBondContact O-CB 3.47Å; E76-R79 PolarHBondContact O-N 3.46Å; L77-R79 PolarHBondContact O-N 3.4Å; R79-N82 WeakPolarHBondContact O-CB 3.43Å; R79-N82 PolarHBondContact O-N 2.92Å; R79-E83 PolarHBondContact O-N 3.4Å |
| 80 | D | 98.6 | Very high | 98.1 | Very high | 81 Ų | 81 | 104.7 Ų | 104.7 | 43% | 0.433 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 177.6 | -72.8 | -5.2 | 0 | 0 | 0 | 111.2 | E76 L77 N82 E83 Q84 | E76-D80 PolarHBondContact O-N 3.36Å; L77-D80 PolarHBondContact O-N 3Å; D80-N82 VanDerWaalsContact C-N 3.3Å; D80-N82 PolarHBondContact O-N 3.44Å; D80-E83 PolarHBondContact O-N 3.29Å; D80-Q84 WeakPolarHBondContact O-CG 3.45Å; D80-Q84 PolarHBondContact O-N 3.2Å |
| 81 | D | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 107 Ų | 107 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 174 | -77.9 | -8.4 | 0 | 0 | 0 | 111.8 | L77 Q84 L85 | L77-D81 PolarHBondContact O-N 3.05Å; D81-Q84 PolarHBondContact O-N 3.32Å; D81-L85 WeakPolarHBondContact O-CB 3.44Å; D81-L85 WeakPolarHBondContact O-CG 3.46Å; D81-L85 PolarHBondContact O-N 3.2Å |
| 82 | N | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 107.9 Ų | 107.9 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.4 | -162.1 | -93.4 | 0 | 0 | 0 | 111.9 | L78 R79 D80 L85 I86 | L78-N82 WeakPolarHBondContact O-CB 3.27Å; L78-N82 PolarHBondContact O-N 3.03Å; R79-N82 WeakPolarHBondContact O-CB 3.43Å; R79-N82 PolarHBondContact O-N 2.92Å; D80-N82 VanDerWaalsContact C-N 3.3Å; D80-N82 PolarHBondContact O-N 3.44Å; N82-L85 PolarHBondContact O-N 2.83Å; N82-I86 VanDerWaalsContact O-CG1 3.29Å; N82-I86 WeakPolarHBondContact O-CG1 3.5Å; N82-I86 PolarHBondContact O-N 3.31Å; N82-I86 WeakPolarHBondContact OD1-CD1 3.35Å |
| 83 | E | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 109.2 Ų | 109.2 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 177.4 | -172.6 | 167 | 178 | 0 | 0 | 111.9 | R79 D80 I86 T87 | R79-E83 PolarHBondContact O-N 3.4Å; D80-E83 PolarHBondContact O-N 3.29Å; E83-I86 PolarHBondContact O-N 3.01Å; E83-T87 PolarHBondContact O-N 2.94Å; E83-T87 PolarHBondContact O-OG1 3.48Å |
| 84 | Q | 98.7 | Very high | 98.5 | Very high | 113 Ų | 113 | 108.5 Ų | 108.5 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 172.6 | -68.2 | -179.7 | 35.6 | 0 | 0 | 111.8 | D80 D81 I86 T87 Q88 | D80-Q84 WeakPolarHBondContact O-CG 3.45Å; D80-Q84 PolarHBondContact O-N 3.2Å; D81-Q84 PolarHBondContact O-N 3.32Å; Q84-I86 VanDerWaalsContact C-N 3.32Å; Q84-I86 PolarHBondContact O-N 3Å; Q84-T87 PolarHBondContact O-N 3.49Å; Q84-Q88 WeakPolarHBondContact O-CG 3.49Å; Q84-Q88 PolarHBondContact O-N 2.98Å |
| 85 | L | 98.8 | Very high | 98.6 | Very high | 106 Ų | 106 | 107.8 Ų | 107.8 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.3 | -42.2 | 177 | -82.8 | 167.3 | 0 | 0 | 0 | 112 | D81 N82 Q88 Y89 | D81-L85 WeakPolarHBondContact O-CB 3.44Å; D81-L85 WeakPolarHBondContact O-CG 3.46Å; D81-L85 PolarHBondContact O-N 3.2Å; N82-L85 PolarHBondContact O-N 2.83Å; L85-Q88 PolarHBondContact O-N 3.36Å; L85-Y89 VanDerWaalsContact O-CB 3.3Å; L85-Y89 WeakPolarHBondContact O-CB 3.47Å; L85-Y89 PolarHBondContact O-N 3.39Å |
| 86 | I | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 111.2 Ų | 111.2 | 41% | 0.41 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 175.6 | -71.7 | 167.4 | 0 | 0 | 0 | 110.2 | N82 E83 Q84 Q88 Y89 E90 | N82-I86 VanDerWaalsContact O-CG1 3.29Å; N82-I86 WeakPolarHBondContact O-CG1 3.5Å; N82-I86 PolarHBondContact O-N 3.31Å; N82-I86 WeakPolarHBondContact OD1-CD1 3.35Å; E83-I86 PolarHBondContact O-N 3.01Å; Q84-I86 VanDerWaalsContact C-N 3.32Å; Q84-I86 PolarHBondContact O-N 3Å; I86-Q88 VanDerWaalsContact C-N 3.34Å; I86-Q88 PolarHBondContact O-N 3.38Å; I86-Y89 WeakPolarHBondContact O-CB 3.32Å; I86-Y89 PolarHBondContact O-N 3Å; I86-E90 WeakPolarHBondContact O-CG 3.3Å; I86-E90 PolarHBondContact O-N 3.05Å |
| 87 | T | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 112.5 Ų | 112.5 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 179.9 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | E83 Q84 E90 R91 | E83-T87 PolarHBondContact O-N 2.94Å; E83-T87 PolarHBondContact O-OG1 3.48Å; Q84-T87 PolarHBondContact O-N 3.49Å; T87-E90 PolarHBondContact O-N 3.02Å; T87-R91 PolarHBondContact O-N 3.33Å; T87-R91 VanDerWaalsContact O-N 3.08Å |
| 88 | Q | 98.6 | Very high | 98.6 | Very high | 125 Ų | 125 | 114 Ų | 114 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 176.3 | -70.9 | -175.4 | 8.5 | 0 | 0 | 111.9 | Q84 L85 I86 E90 R91 E92 | Q84-Q88 WeakPolarHBondContact O-CG 3.49Å; Q84-Q88 PolarHBondContact O-N 2.98Å; L85-Q88 PolarHBondContact O-N 3.36Å; I86-Q88 VanDerWaalsContact C-N 3.34Å; I86-Q88 PolarHBondContact O-N 3.38Å; Q88-E90 VanDerWaalsContact C-N 3.34Å; Q88-E90 PolarHBondContact O-N 3.42Å; Q88-R91 PolarHBondContact O-N 3.08Å; Q88-E92 WeakPolarHBondContact O-CB 3.43Å; Q88-E92 PolarHBondContact O-N 3.12Å |
| 89 | Y | 98.8 | Very high | 98.6 | Very high | 146 Ų | 146 | 112 Ų | 112 | 57% | 0.573 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.4 | -45 | 176.4 | 168.5 | -98.1 | 0 | 0 | 0 | 111.7 | L85 I86 E92 K93 | L85-Y89 VanDerWaalsContact O-CB 3.3Å; L85-Y89 WeakPolarHBondContact O-CB 3.47Å; L85-Y89 PolarHBondContact O-N 3.39Å; I86-Y89 WeakPolarHBondContact O-CB 3.32Å; I86-Y89 PolarHBondContact O-N 3Å; Y89-E92 PolarHBondContact O-N 3.22Å; Y89-K93 HydrophobicContact CE1-CD 4.03Å; Y89-K93 WeakPolarHBondContact O-CB 3.49Å; Y89-K93 PolarHBondContact O-N 3.44Å |
| 90 | E | 98.8 | Very high | 98.6 | Very high | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -41.2 | 178.7 | -72.4 | -172.7 | 161.7 | 0 | 0 | 112.3 | I86 T87 Q88 K93 A94 | I86-E90 WeakPolarHBondContact O-CG 3.3Å; I86-E90 PolarHBondContact O-N 3.05Å; T87-E90 PolarHBondContact O-N 3.02Å; Q88-E90 VanDerWaalsContact C-N 3.34Å; Q88-E90 PolarHBondContact O-N 3.42Å; E90-K93 PolarHBondContact O-N 3.46Å; E90-A94 WeakPolarHBondContact O-CB 3.36Å; E90-A94 PolarHBondContact O-N 2.93Å |
| 91 | R | 98.7 | Very high | 98.6 | Very high | 186 Ų | 186 | 110.1 Ų | 110.1 | 70% | 0.702 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.6 | -48.4 | 174.6 | -177.5 | -179.4 | -177.9 | 164.7 | 1 | 111.6 | T87 Q88 A94 L95 | T87-R91 PolarHBondContact O-N 3.33Å; T87-R91 VanDerWaalsContact O-N 3.08Å; Q88-R91 PolarHBondContact O-N 3.08Å; R91-A94 PolarHBondContact O-N 3.4Å; R91-L95 HydrophobicContact CG-CD1 4.37Å; R91-L95 WeakPolarHBondContact O-CG 3.35Å; R91-L95 PolarHBondContact O-N 3.2Å |
| 92 | E | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 111.8 Ų | 111.8 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 179.8 | -176 | 58.6 | -156.1 | 0 | 0 | 111.2 | Q88 Y89 A94 L95 R96 | Q88-E92 WeakPolarHBondContact O-CB 3.43Å; Q88-E92 PolarHBondContact O-N 3.12Å; Y89-E92 PolarHBondContact O-N 3.22Å; E92-A94 VanDerWaalsContact C-N 3.29Å; E92-A94 PolarHBondContact O-N 3.43Å; E92-L95 PolarHBondContact O-N 2.92Å; E92-R96 WeakPolarHBondContact O-CB 3.29Å; E92-R96 PolarHBondContact O-N 2.89Å |
| 93 | K | 98.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 113.7 Ų | 113.7 | 55% | 0.548 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58 | -41.8 | 174.1 | -177.9 | -179.3 | 178.5 | -179.2 | 0 | 111.7 | Y89 E90 K97 | Y89-K93 HydrophobicContact CE1-CD 4.03Å; Y89-K93 WeakPolarHBondContact O-CB 3.49Å; Y89-K93 PolarHBondContact O-N 3.44Å; E90-K93 PolarHBondContact O-N 3.46Å; K93-K97 WeakPolarHBondContact O-CB 3.15Å; K93-K97 PolarHBondContact O-N 2.92Å |
| 94 | A | 98.7 | Very high | 98.6 | Very high | 62 Ų | 62 | 112.4 Ų | 112.4 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E90 R91 E92 K97 H98 | E90-A94 WeakPolarHBondContact O-CB 3.36Å; E90-A94 PolarHBondContact O-N 2.93Å; R91-A94 PolarHBondContact O-N 3.4Å; E92-A94 VanDerWaalsContact C-N 3.29Å; E92-A94 PolarHBondContact O-N 3.43Å; A94-K97 PolarHBondContact O-N 2.93Å; A94-H98 WeakPolarHBondContact O-CB 3.34Å; A94-H98 PolarHBondContact O-N 2.97Å |
| 95 | L | 98.7 | Very high | 98.6 | Very high | 93 Ų | 93 | 113.5 Ų | 113.5 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 176.1 | -71.5 | 173.8 | 0 | 0 | 0 | 111.9 | R91 E92 H98 A99 | R91-L95 HydrophobicContact CG-CD1 4.37Å; R91-L95 WeakPolarHBondContact O-CG 3.35Å; R91-L95 PolarHBondContact O-N 3.2Å; E92-L95 PolarHBondContact O-N 2.92Å; L95-H98 PolarHBondContact O-N 3.31Å; L95-A99 WeakPolarHBondContact O-CB 3.28Å; L95-A99 PolarHBondContact O-N 3.46Å |
| 96 | R | 98.6 | Very high | 98.6 | Very high | 178 Ų | 178 | 114 Ų | 114 | 67% | 0.672 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.2 | -46.6 | 176 | -168.5 | 106 | 111.2 | 79.1 | 2.4 | 111.3 | E92 H98 A99 E100 | E92-R96 WeakPolarHBondContact O-CB 3.29Å; E92-R96 PolarHBondContact O-N 2.89Å; R96-H98 PolarHBondContact O-N 3.44Å; R96-A99 PolarHBondContact O-N 2.97Å; R96-E100 WeakPolarHBondContact O-CB 3Å; R96-E100 PolarHBondContact O-N 3.42Å |
| 97 | K | 98.8 | Very high | 98.6 | Very high | 128 Ų | 128 | 115.8 Ų | 115.8 | 56% | 0.557 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 177.8 | -172.1 | -174.3 | 178 | -155.6 | 0 | 111.6 | K93 A94 A99 E100 E101 | K93-K97 WeakPolarHBondContact O-CB 3.15Å; K93-K97 PolarHBondContact O-N 2.92Å; A94-K97 PolarHBondContact O-N 2.93Å; K97-A99 VanDerWaalsContact C-N 3.34Å; K97-A99 PolarHBondContact O-N 3.3Å; K97-E100 PolarHBondContact O-N 2.67Å; K97-E101 WeakPolarHBondContact CE-OE1 3.43Å; K97-E101 IonicContact NZ-OE1 3.99Å; K97-E101 WeakPolarHBondContact O-CG 3.24Å; K97-E101 PolarHBondContact O-N 3.48Å |
| 98 | H | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 116.8 Ų | 116.8 | 44% | 0.444 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 177.1 | -174.8 | 57.5 | 0 | 0 | 0 | 112.7 | A94 L95 R96 K102 | A94-H98 WeakPolarHBondContact O-CB 3.34Å; A94-H98 PolarHBondContact O-N 2.97Å; L95-H98 PolarHBondContact O-N 3.31Å; R96-H98 PolarHBondContact O-N 3.44Å; H98-K102 VanDerWaalsContact NE2-CE 3.25Å; H98-K102 WeakPolarHBondContact NE2-CE 3.42Å; H98-K102 PolarHBondContact NE2-NZ 3.21Å; H98-K102 WeakPolarHBondContact O-CG 3.46Å; H98-K102 PolarHBondContact O-N 3.46Å; H98-K102 VanDerWaalsContact O-N 3.12Å |
| 99 | A | 98.5 | Very high | 98.6 | Very high | 58 Ų | 58 | 114.2 Ų | 114.2 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L95 R96 K97 K102 F103 | L95-A99 WeakPolarHBondContact O-CB 3.28Å; L95-A99 PolarHBondContact O-N 3.46Å; R96-A99 PolarHBondContact O-N 2.97Å; K97-A99 VanDerWaalsContact C-N 3.34Å; K97-A99 PolarHBondContact O-N 3.3Å; A99-K102 PolarHBondContact O-N 3.35Å; A99-F103 WeakPolarHBondContact O-CB 3.27Å; A99-F103 PolarHBondContact O-N 3.44Å |
| 100 | E | 98.4 | Very high | 98.6 | Very high | 121 Ų | 121 | 111.4 Ų | 111.4 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.1 | -45.5 | 175.5 | -174.5 | 174 | -169.9 | 0 | 0 | 111.7 | R96 K97 K102 F103 I104 | R96-E100 WeakPolarHBondContact O-CB 3Å; R96-E100 PolarHBondContact O-N 3.42Å; K97-E100 PolarHBondContact O-N 2.67Å; E100-K102 VanDerWaalsContact C-N 3.35Å; E100-K102 PolarHBondContact O-N 2.99Å; E100-F103 WeakPolarHBondContact O-CB 3.37Å; E100-F103 PolarHBondContact O-N 2.98Å; E100-F103 VanDerWaalsContact O-N 3.11Å; E100-I104 HydrophobicContact CG-CD1 4.39Å; E100-I104 WeakPolarHBondContact O-CG1 3.25Å; E100-I104 PolarHBondContact O-N 3.43Å |
| 101 | E | 98.5 | Very high | 98.6 | Very high | 88 Ų | 88 | 109 Ų | 109 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 175.3 | -73.8 | 171.1 | -176.6 | 0 | 0 | 111.5 | K97 F103 I104 E105 | K97-E101 WeakPolarHBondContact CE-OE1 3.43Å; K97-E101 IonicContact NZ-OE1 3.99Å; K97-E101 WeakPolarHBondContact O-CG 3.24Å; K97-E101 PolarHBondContact O-N 3.48Å; E101-F103 VanDerWaalsContact C-N 3.3Å; E101-F103 PolarHBondContact O-N 3.39Å; E101-I104 PolarHBondContact O-N 2.98Å; E101-E105 WeakPolarHBondContact O-CG 3.46Å; E101-E105 PolarHBondContact O-N 3.02Å |
| 102 | K | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 104.7 Ų | 104.7 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 175.4 | -75.7 | -177.6 | 174.2 | -178.2 | 0 | 113.7 | H98 A99 E100 F106 | H98-K102 VanDerWaalsContact NE2-CE 3.25Å; H98-K102 WeakPolarHBondContact NE2-CE 3.42Å; H98-K102 PolarHBondContact NE2-NZ 3.21Å; H98-K102 WeakPolarHBondContact O-CG 3.46Å; H98-K102 PolarHBondContact O-N 3.46Å; H98-K102 VanDerWaalsContact O-N 3.12Å; A99-K102 PolarHBondContact O-N 3.35Å; E100-K102 VanDerWaalsContact C-N 3.35Å; E100-K102 PolarHBondContact O-N 2.99Å; K102-F106 WeakPolarHBondContact O-CB 3.43Å; K102-F106 PolarHBondContact O-N 3.41Å |
| 103 | F | 98.5 | Very high | 98.6 | Very high | 132 Ų | 132 | 104.2 Ų | 104.2 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.4 | -41 | 179.3 | -170.1 | -92.6 | 0 | 0 | 0 | 110.8 | A99 E100 E101 F106 E107 | A99-F103 WeakPolarHBondContact O-CB 3.27Å; A99-F103 PolarHBondContact O-N 3.44Å; E100-F103 WeakPolarHBondContact O-CB 3.37Å; E100-F103 PolarHBondContact O-N 2.98Å; E100-F103 VanDerWaalsContact O-N 3.11Å; E101-F103 VanDerWaalsContact C-N 3.3Å; E101-F103 PolarHBondContact O-N 3.39Å; F103-F106 PolarHBondContact O-N 3.45Å; F103-E107 WeakPolarHBondContact O-CB 3.41Å; F103-E107 PolarHBondContact O-N 2.97Å |
| 104 | I | 98.6 | Very high | 98.6 | Very high | 84 Ų | 84 | 104.1 Ų | 104.1 | 43% | 0.431 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.1 | -65 | 166.4 | 0 | 0 | 0 | 110.5 | E100 E101 F106 E107 D108 | E100-I104 HydrophobicContact CG-CD1 4.39Å; E100-I104 WeakPolarHBondContact O-CG1 3.25Å; E100-I104 PolarHBondContact O-N 3.43Å; E101-I104 PolarHBondContact O-N 2.98Å; I104-F106 VanDerWaalsContact C-N 3.26Å; I104-F106 PolarHBondContact O-N 3.22Å; I104-E107 PolarHBondContact O-N 2.99Å; I104-D108 PolarHBondContact O-N 3.36Å |
| 105 | E | 98.5 | Very high | 98.6 | Very high | 135 Ų | 135 | 106.4 Ų | 106.4 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.9 | -40.3 | 177.2 | -71.3 | 176.7 | 177.4 | 0 | 0 | 112.4 | E101 S109 | E101-E105 WeakPolarHBondContact O-CG 3.46Å; E101-E105 PolarHBondContact O-N 3.02Å; E105-S109 WeakPolarHBondContact O-CB 3.21Å; E105-S109 PolarHBondContact O-N 3.16Å |
| 106 | F | 98.6 | Very high | 98.6 | Very high | 118 Ų | 118 | 106.2 Ų | 106.2 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -46.6 | 176.4 | 177.3 | -100.1 | 0 | 0 | 0 | 111.9 | K102 F103 I104 D108 S109 Q110 | K102-F106 WeakPolarHBondContact O-CB 3.43Å; K102-F106 PolarHBondContact O-N 3.41Å; F103-F106 PolarHBondContact O-N 3.45Å; I104-F106 VanDerWaalsContact C-N 3.26Å; I104-F106 PolarHBondContact O-N 3.22Å; F106-D108 VanDerWaalsContact C-N 3.34Å; F106-D108 PolarHBondContact O-N 3.25Å; F106-S109 PolarHBondContact O-N 2.85Å; F106-Q110 HydrophobicContact CD1-CG 4.12Å; F106-Q110 HydrophobicContact CD2-CG 4.24Å; F106-Q110 HydrophobicContact CE1-CG 3.69Å; F106-Q110 HydrophobicContact CE2-CG 3.81Å; F106-Q110 HydrophobicContact CG-CG 4.39Å; F106-Q110 HydrophobicContact CZ-CG 3.52Å; F106-Q110 WeakPolarHBondContact O-CB 3.43Å; F106-Q110 VanDerWaalsContact O-CG 3.27Å; F106-Q110 WeakPolarHBondContact O-CG 3.24Å; F106-Q110 PolarHBondContact O-N 2.96Å |
| 107 | E | 98.6 | Very high | 98.6 | Very high | 116 Ų | 116 | 102.5 Ų | 102.5 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 178.1 | -172.7 | 174.4 | -164.3 | 0 | 0 | 111.5 | F103 I104 S109 Q110 E111 | F103-E107 WeakPolarHBondContact O-CB 3.41Å; F103-E107 PolarHBondContact O-N 2.97Å; I104-E107 PolarHBondContact O-N 2.99Å; E107-S109 PolarHBondContact O-N 2.82Å; E107-Q110 PolarHBondContact O-N 2.89Å; E107-E111 WeakPolarHBondContact O-CB 3.38Å; E107-E111 PolarHBondContact O-N 2.96Å |
| 108 | D | 98.7 | Very high | 98.6 | Very high | 108 Ų | 108 | 101.2 Ų | 101.2 | 58% | 0.578 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 176.8 | -79.4 | -17 | 0 | 0 | 0 | 112 | I104 F106 Q110 E111 Q112 | I104-D108 PolarHBondContact O-N 3.36Å; F106-D108 VanDerWaalsContact C-N 3.34Å; F106-D108 PolarHBondContact O-N 3.25Å; D108-Q110 PolarHBondContact O-N 3.3Å; D108-E111 PolarHBondContact O-N 3.43Å; D108-Q112 WeakPolarHBondContact O-CB 3.48Å; D108-Q112 PolarHBondContact O-N 3.49Å |
| 109 | S | 98.6 | Very high | 98.6 | Very high | 72 Ų | 72 | 100.9 Ų | 100.9 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.6 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | E105 F106 E107 Q112 E113 | E105-S109 WeakPolarHBondContact O-CB 3.21Å; E105-S109 PolarHBondContact O-N 3.16Å; F106-S109 PolarHBondContact O-N 2.85Å; E107-S109 PolarHBondContact O-N 2.82Å; S109-Q112 PolarHBondContact O-N 3.39Å; S109-E113 PolarHBondContact O-N 3.08Å |
| 110 | Q | 98.7 | Very high | 98.6 | Very high | 86 Ų | 86 | 104.9 Ų | 104.9 | 40% | 0.402 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 179.6 | -70.1 | -64.6 | 81.6 | 0 | 0 | 111.9 | F106 E107 D108 Q112 E113 K114 | F106-Q110 HydrophobicContact CD1-CG 4.12Å; F106-Q110 HydrophobicContact CD2-CG 4.24Å; F106-Q110 HydrophobicContact CE1-CG 3.69Å; F106-Q110 HydrophobicContact CE2-CG 3.81Å; F106-Q110 HydrophobicContact CG-CG 4.39Å; F106-Q110 HydrophobicContact CZ-CG 3.52Å; F106-Q110 WeakPolarHBondContact O-CB 3.43Å; F106-Q110 VanDerWaalsContact O-CG 3.27Å; F106-Q110 WeakPolarHBondContact O-CG 3.24Å; F106-Q110 PolarHBondContact O-N 2.96Å; E107-Q110 PolarHBondContact O-N 2.89Å; D108-Q110 PolarHBondContact O-N 3.3Å; Q110-Q112 VanDerWaalsContact C-N 3.3Å; Q110-Q112 PolarHBondContact O-N 3.34Å; Q110-E113 PolarHBondContact O-N 3.28Å; Q110-E113 PolarHBondContact OE1-OE2 2.95Å; Q110-K114 VanDerWaalsContact O-CB 3.27Å; Q110-K114 WeakPolarHBondContact O-CB 3.49Å; Q110-K114 PolarHBondContact O-N 2.85Å |
| 111 | E | 98.6 | Very high | 98.6 | Very high | 74 Ų | 74 | 102.2 Ų | 102.2 | 35% | 0.346 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.9 | -33.1 | 176.6 | -174.3 | 59.8 | -153.2 | 0 | 0 | 111.3 | E107 D108 K114 K115 | E107-E111 WeakPolarHBondContact O-CB 3.38Å; E107-E111 PolarHBondContact O-N 2.96Å; D108-E111 PolarHBondContact O-N 3.43Å; E111-K114 IonicContact OE1-NZ 3.34Å; E111-K114 IonicContact OE2-NZ 3.37Å; E111-K114 PolarHBondContact OE2-NZ 2.98Å; E111-K115 VanDerWaalsContact O-CG 3.3Å; E111-K115 WeakPolarHBondContact O-CG 3.43Å; E111-K115 PolarHBondContact O-N 3.12Å |
| 112 | Q | 98.8 | Very high | 98.7 | Very high | 95 Ų | 95 | 102.8 Ų | 102.8 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -50 | 171.7 | -176.7 | 56.6 | 47.4 | 0 | 0 | 112 | D108 S109 Q110 K114 K115 D116 | D108-Q112 WeakPolarHBondContact O-CB 3.48Å; D108-Q112 PolarHBondContact O-N 3.49Å; S109-Q112 PolarHBondContact O-N 3.39Å; Q110-Q112 VanDerWaalsContact C-N 3.3Å; Q110-Q112 PolarHBondContact O-N 3.34Å; Q112-K114 VanDerWaalsContact C-N 3.28Å; Q112-K114 PolarHBondContact O-N 2.96Å; Q112-K115 WeakPolarHBondContact O-CB 3.42Å; Q112-K115 PolarHBondContact O-N 3.26Å; Q112-K115 VanDerWaalsContact O-N 3.11Å; Q112-D116 VanDerWaalsContact NE2-CG 3.35Å; Q112-D116 PolarHBondContact NE2-OD1 3.36Å; Q112-D116 PolarHBondContact NE2-OD2 3.35Å; Q112-D116 VanDerWaalsContact NE2-OD2 3.12Å; Q112-D116 PolarHBondContact O-N 3.46Å |
| 113 | E | 98.5 | Very high | 98.7 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 177.6 | -177 | 178.4 | -178.1 | 0 | 0 | 111.3 | S109 Q110 K115 D116 L117 | S109-E113 PolarHBondContact O-N 3.08Å; Q110-E113 PolarHBondContact O-N 3.28Å; Q110-E113 PolarHBondContact OE1-OE2 2.95Å; E113-K115 PolarHBondContact O-N 2.92Å; E113-D116 PolarHBondContact O-N 3.06Å; E113-L117 HydrophobicContact CG-CD1 4.08Å; E113-L117 HydrophobicContact CG-CG 4.36Å; E113-L117 WeakPolarHBondContact O-CB 3.44Å; E113-L117 WeakPolarHBondContact O-CG 3.17Å; E113-L117 PolarHBondContact O-N 3.04Å |
| 114 | K | 98.7 | Very high | 98.7 | Very high | 124 Ų | 124 | 97 Ų | 97 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 175.7 | 177.6 | -176.5 | 159.5 | -153.2 | 0 | 112.3 | Q110 E111 Q112 Q118 | Q110-K114 VanDerWaalsContact O-CB 3.27Å; Q110-K114 WeakPolarHBondContact O-CB 3.49Å; Q110-K114 PolarHBondContact O-N 2.85Å; E111-K114 IonicContact OE1-NZ 3.34Å; E111-K114 IonicContact OE2-NZ 3.37Å; E111-K114 PolarHBondContact OE2-NZ 2.98Å; Q112-K114 VanDerWaalsContact C-N 3.28Å; Q112-K114 PolarHBondContact O-N 2.96Å; K114-Q118 VanDerWaalsContact O-CB 3.27Å; K114-Q118 WeakPolarHBondContact O-CB 3.48Å; K114-Q118 PolarHBondContact O-N 3.47Å |
| 115 | K | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 97.3 Ų | 97.3 | 48% | 0.478 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.5 | -76.8 | 169.7 | -176.2 | 164.2 | 0 | 112 | E111 Q112 E113 Q118 T119 | E111-K115 VanDerWaalsContact O-CG 3.3Å; E111-K115 WeakPolarHBondContact O-CG 3.43Å; E111-K115 PolarHBondContact O-N 3.12Å; Q112-K115 WeakPolarHBondContact O-CB 3.42Å; Q112-K115 PolarHBondContact O-N 3.26Å; Q112-K115 VanDerWaalsContact O-N 3.11Å; E113-K115 PolarHBondContact O-N 2.92Å; K115-Q118 PolarHBondContact O-N 3.06Å; K115-T119 WeakPolarHBondContact O-CB 3.36Å; K115-T119 PolarHBondContact O-N 3.29Å; K115-T119 PolarHBondContact O-OG1 3.38Å |
| 116 | D | 98.7 | Very high | 98.7 | Very high | 90 Ų | 90 | 93 Ų | 93 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 178.8 | -68.6 | -26.6 | 0 | 0 | 0 | 111.3 | Q112 E113 T119 R120 | Q112-D116 VanDerWaalsContact NE2-CG 3.35Å; Q112-D116 PolarHBondContact NE2-OD1 3.36Å; Q112-D116 PolarHBondContact NE2-OD2 3.35Å; Q112-D116 VanDerWaalsContact NE2-OD2 3.12Å; Q112-D116 PolarHBondContact O-N 3.46Å; E113-D116 PolarHBondContact O-N 3.06Å; D116-T119 PolarHBondContact O-N 3.31Å; D116-R120 WeakPolarHBondContact O-CB 3.45Å; D116-R120 PolarHBondContact O-N 3.01Å |
| 117 | L | 98.7 | Very high | 98.7 | Very high | 99 Ų | 99 | 92 Ų | 92 | 52% | 0.518 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 173.7 | -72.2 | 175.6 | 0 | 0 | 0 | 111.8 | E113 T119 R120 V121 | E113-L117 HydrophobicContact CG-CD1 4.08Å; E113-L117 HydrophobicContact CG-CG 4.36Å; E113-L117 WeakPolarHBondContact O-CB 3.44Å; E113-L117 WeakPolarHBondContact O-CG 3.17Å; E113-L117 PolarHBondContact O-N 3.04Å; L117-T119 PolarHBondContact O-N 3.42Å; L117-R120 WeakPolarHBondContact O-CB 3.47Å; L117-R120 PolarHBondContact O-N 3.05Å; L117-R120 VanDerWaalsContact O-N 3.13Å; L117-V121 WeakPolarHBondContact O-CG2 3.5Å; L117-V121 PolarHBondContact O-N 3.28Å |
| 118 | Q | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 89.9 Ų | 89.9 | 48% | 0.477 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.4 | -178.1 | 60.3 | 33.4 | 0 | 0 | 111.3 | K114 K115 R120 V121 E122 | K114-Q118 VanDerWaalsContact O-CB 3.27Å; K114-Q118 WeakPolarHBondContact O-CB 3.48Å; K114-Q118 PolarHBondContact O-N 3.47Å; K115-Q118 PolarHBondContact O-N 3.06Å; Q118-R120 VanDerWaalsContact C-N 3.26Å; Q118-R120 PolarHBondContact O-N 3.11Å; Q118-V121 PolarHBondContact O-N 3.22Å; Q118-E122 PolarHBondContact NE2-OE1 3.5Å; Q118-E122 WeakPolarHBondContact O-CG 3.44Å; Q118-E122 PolarHBondContact O-N 2.96Å |
| 119 | T | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 91.5 Ų | 91.5 | 54% | 0.54 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 175 | -57 | 0 | 0 | 0 | 0 | 111.3 | K115 D116 L117 E122 S123 | K115-T119 WeakPolarHBondContact O-CB 3.36Å; K115-T119 PolarHBondContact O-N 3.29Å; K115-T119 PolarHBondContact O-OG1 3.38Å; D116-T119 PolarHBondContact O-N 3.31Å; L117-T119 PolarHBondContact O-N 3.42Å; T119-E122 PolarHBondContact O-N 3.36Å; T119-S123 PolarHBondContact O-N 3.29Å |
| 120 | R | 98.7 | Very high | 98.7 | Very high | 142 Ų | 142 | 93.8 Ų | 93.8 | 54% | 0.536 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 177.4 | -176.5 | 56.3 | 175.5 | 163.6 | 0.7 | 112.1 | D116 L117 Q118 S123 L124 | D116-R120 WeakPolarHBondContact O-CB 3.45Å; D116-R120 PolarHBondContact O-N 3.01Å; L117-R120 WeakPolarHBondContact O-CB 3.47Å; L117-R120 PolarHBondContact O-N 3.05Å; L117-R120 VanDerWaalsContact O-N 3.13Å; Q118-R120 VanDerWaalsContact C-N 3.26Å; Q118-R120 PolarHBondContact O-N 3.11Å; R120-S123 WeakPolarHBondContact O-CB 3.41Å; R120-S123 PolarHBondContact O-N 3Å; R120-L124 HydrophobicContact CG-CD1 4.29Å; R120-L124 WeakPolarHBondContact O-CG 3.49Å; R120-L124 PolarHBondContact O-N 3.13Å |
| 121 | V | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 94.4 Ų | 94.4 | 39% | 0.394 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 175.3 | 169 | 0 | 0 | 0 | 0 | 110.2 | L117 Q118 S123 L124 E125 | L117-V121 WeakPolarHBondContact O-CG2 3.5Å; L117-V121 PolarHBondContact O-N 3.28Å; Q118-V121 PolarHBondContact O-N 3.22Å; V121-S123 VanDerWaalsContact C-N 3.27Å; V121-S123 PolarHBondContact O-N 2.95Å; V121-L124 PolarHBondContact O-N 3.3Å; V121-E125 HydrophobicContact CG1-CG 4.26Å; V121-E125 WeakPolarHBondContact O-CG 3.48Å; V121-E125 PolarHBondContact O-N 2.9Å |
| 122 | E | 98.8 | Very high | 98.7 | Very high | 101 Ų | 101 | 96.6 Ų | 96.6 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.3 | -39.7 | 178.7 | -71.7 | 171.8 | -165.4 | 0 | 0 | 112.5 | Q118 T119 E125 S126 | Q118-E122 PolarHBondContact NE2-OE1 3.5Å; Q118-E122 WeakPolarHBondContact O-CG 3.44Å; Q118-E122 PolarHBondContact O-N 2.96Å; T119-E122 PolarHBondContact O-N 3.36Å; E122-E125 PolarHBondContact O-N 3.44Å; E122-S126 WeakPolarHBondContact O-CB 3.43Å; E122-S126 PolarHBondContact O-N 3.07Å |
| 123 | S | 98.6 | Very high | 98.7 | Very high | 52 Ų | 52 | 97.1 Ų | 97.1 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 173.8 | -180 | 0 | 0 | 0 | 0 | 111.7 | T119 R120 V121 S126 Q127 | T119-S123 PolarHBondContact O-N 3.29Å; R120-S123 WeakPolarHBondContact O-CB 3.41Å; R120-S123 PolarHBondContact O-N 3Å; V121-S123 VanDerWaalsContact C-N 3.27Å; V121-S123 PolarHBondContact O-N 2.95Å; S123-S126 PolarHBondContact O-N 3.46Å; S123-S126 PolarHBondContact O-OG 3.19Å; S123-Q127 PolarHBondContact O-N 3.46Å |
| 124 | L | 98.7 | Very high | 98.7 | Very high | 72 Ų | 72 | 98 Ų | 98 | 38% | 0.377 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 178.8 | -72.2 | 171.3 | 0 | 0 | 0 | 112.3 | R120 V121 S126 Q127 T128 | R120-L124 HydrophobicContact CG-CD1 4.29Å; R120-L124 WeakPolarHBondContact O-CG 3.49Å; R120-L124 PolarHBondContact O-N 3.13Å; V121-L124 PolarHBondContact O-N 3.3Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-Q127 PolarHBondContact O-N 2.93Å; L124-T128 WeakPolarHBondContact O-CB 3.27Å; L124-T128 PolarHBondContact O-N 2.9Å; L124-T128 PolarHBondContact O-OG1 2.9Å |
| 125 | E | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 94.9 Ų | 94.9 | 43% | 0.425 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 173.2 | -72.8 | -177.5 | 175.8 | 0 | 0 | 111.5 | V121 E122 Q127 T128 R129 | V121-E125 HydrophobicContact CG1-CG 4.26Å; V121-E125 WeakPolarHBondContact O-CG 3.48Å; V121-E125 PolarHBondContact O-N 2.9Å; E122-E125 PolarHBondContact O-N 3.44Å; E125-Q127 VanDerWaalsContact C-N 3.35Å; E125-Q127 PolarHBondContact O-N 3.12Å; E125-T128 PolarHBondContact O-N 2.98Å; E125-R129 WeakPolarHBondContact O-CG 3.43Å; E125-R129 PolarHBondContact O-N 3.34Å; E125-R129 IonicContact OE2-NH1 2.67Å |
| 126 | S | 98.8 | Very high | 98.7 | Very high | 46 Ų | 46 | 96.1 Ų | 96.1 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.7 | 80.3 | 0 | 0 | 0 | 0 | 112 | E122 S123 L124 T128 R129 Q130 | E122-S126 WeakPolarHBondContact O-CB 3.43Å; E122-S126 PolarHBondContact O-N 3.07Å; S123-S126 PolarHBondContact O-N 3.46Å; S123-S126 PolarHBondContact O-OG 3.19Å; L124-S126 VanDerWaalsContact C-N 3.34Å; S126-T128 VanDerWaalsContact C-N 3.31Å; S126-T128 PolarHBondContact O-N 3.11Å; S126-R129 PolarHBondContact O-N 3.19Å; S126-Q130 WeakPolarHBondContact O-CG 3.46Å; S126-Q130 PolarHBondContact O-N 3.43Å |
| 127 | Q | 98.7 | Very high | 98.7 | Very high | 96 Ų | 96 | 96.2 Ų | 96.2 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 176.5 | -175.7 | 178.5 | 1 | 0 | 0 | 111.1 | S123 L124 E125 Q130 L131 | S123-Q127 PolarHBondContact O-N 3.46Å; L124-Q127 PolarHBondContact O-N 2.93Å; E125-Q127 VanDerWaalsContact C-N 3.35Å; E125-Q127 PolarHBondContact O-N 3.12Å; Q127-Q130 PolarHBondContact O-N 3.03Å; Q127-L131 HydrophobicContact CG-CD1 4.41Å; Q127-L131 WeakPolarHBondContact O-CG 3.47Å; Q127-L131 PolarHBondContact O-N 3.43Å |
| 128 | T | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 98.4 Ų | 98.4 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -50 | 177.5 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | L124 E125 S126 Q130 L131 E132 | L124-T128 WeakPolarHBondContact O-CB 3.27Å; L124-T128 PolarHBondContact O-N 2.9Å; L124-T128 PolarHBondContact O-OG1 2.9Å; E125-T128 PolarHBondContact O-N 2.98Å; S126-T128 VanDerWaalsContact C-N 3.31Å; S126-T128 PolarHBondContact O-N 3.11Å; T128-Q130 VanDerWaalsContact C-N 3.26Å; T128-Q130 PolarHBondContact O-N 2.96Å; T128-L131 PolarHBondContact O-N 3.49Å; T128-E132 HydrophobicContact CG2-CG 4.49Å; T128-E132 WeakPolarHBondContact O-CG 3.42Å; T128-E132 PolarHBondContact O-N 3.44Å |
| 129 | R | 98.8 | Very high | 98.7 | Very high | 141 Ų | 141 | 95.8 Ų | 95.8 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.9 | -39.4 | 175.3 | -72.7 | -172 | -73.3 | -103.4 | 1.9 | 112.5 | E125 S126 L133 | E125-R129 WeakPolarHBondContact O-CG 3.43Å; E125-R129 PolarHBondContact O-N 3.34Å; E125-R129 IonicContact OE2-NH1 2.67Å; S126-R129 PolarHBondContact O-N 3.19Å; R129-L133 PolarHBondContact O-N 3.07Å; R129-L133 VanDerWaalsContact O-N 3.11Å |
| 130 | Q | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 95.1 Ų | 95.1 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 176 | -72.4 | 177.4 | 4.3 | 0 | 0 | 112.7 | S126 Q127 T128 L133 K134 | S126-Q130 WeakPolarHBondContact O-CG 3.46Å; S126-Q130 PolarHBondContact O-N 3.43Å; Q127-Q130 PolarHBondContact O-N 3.03Å; T128-Q130 VanDerWaalsContact C-N 3.26Å; T128-Q130 PolarHBondContact O-N 2.96Å; Q130-L133 PolarHBondContact O-N 3.49Å; Q130-K134 WeakPolarHBondContact O-CG 3.34Å; Q130-K134 PolarHBondContact O-N 2.94Å; Q130-K134 VanDerWaalsContact O-N 3.07Å |
| 131 | L | 98.6 | Very high | 98.7 | Very high | 99 Ų | 99 | 93.6 Ų | 93.6 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 177.8 | -72 | 173.4 | 0 | 0 | 0 | 111.8 | Q127 T128 L133 K134 A135 | Q127-L131 HydrophobicContact CG-CD1 4.41Å; Q127-L131 WeakPolarHBondContact O-CG 3.47Å; Q127-L131 PolarHBondContact O-N 3.43Å; T128-L131 PolarHBondContact O-N 3.49Å; L131-L133 VanDerWaalsContact C-N 3.33Å; L131-L133 PolarHBondContact O-N 2.95Å; L131-K134 PolarHBondContact O-N 3.41Å; L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 2.87Å |
| 132 | E | 98.7 | Very high | 98.7 | Very high | 121 Ų | 121 | 94.8 Ų | 94.8 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.9 | -44.8 | 173.9 | -71.8 | 172.5 | 166.5 | 0 | 0 | 111.5 | T128 K134 A135 K136 | T128-E132 HydrophobicContact CG2-CG 4.49Å; T128-E132 WeakPolarHBondContact O-CG 3.42Å; T128-E132 PolarHBondContact O-N 3.44Å; E132-K134 PolarHBondContact O-N 2.85Å; E132-A135 PolarHBondContact O-N 2.87Å; E132-K136 WeakPolarHBondContact O-CB 3.27Å; E132-K136 PolarHBondContact O-N 3.17Å |
| 133 | L | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 93.1 Ų | 93.1 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 176.8 | -174.1 | 64.9 | 0 | 0 | 0 | 111.7 | R129 Q130 L131 K136 N137 | R129-L133 PolarHBondContact O-N 3.07Å; R129-L133 VanDerWaalsContact O-N 3.11Å; Q130-L133 PolarHBondContact O-N 3.49Å; L131-L133 VanDerWaalsContact C-N 3.33Å; L131-L133 PolarHBondContact O-N 2.95Å; L133-K136 PolarHBondContact O-N 3.13Å; L133-N137 VanDerWaalsContact O-CG 3.28Å; L133-N137 PolarHBondContact O-N 2.87Å; L133-N137 PolarHBondContact O-ND2 3.34Å |
| 134 | K | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 98 Ų | 98 | 52% | 0.522 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 174.5 | -74.8 | 178.2 | 179.9 | 177.7 | 0 | 111.6 | Q130 L131 E132 K136 N137 Y138 | Q130-K134 WeakPolarHBondContact O-CG 3.34Å; Q130-K134 PolarHBondContact O-N 2.94Å; Q130-K134 VanDerWaalsContact O-N 3.07Å; L131-K134 PolarHBondContact O-N 3.41Å; E132-K134 PolarHBondContact O-N 2.85Å; K134-K136 VanDerWaalsContact C-N 3.32Å; K134-K136 PolarHBondContact O-N 3.22Å; K134-N137 PolarHBondContact O-N 3.02Å; K134-Y138 WeakPolarHBondContact O-CD2 3.47Å; K134-Y138 PolarHBondContact O-N 3.4Å |
| 135 | A | 98.7 | Very high | 98.7 | Very high | 59 Ų | 59 | 99.4 Ų | 99.4 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L131 E132 Y138 A139 | L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 2.87Å; E132-A135 PolarHBondContact O-N 2.87Å; A135-Y138 PolarHBondContact O-N 3.48Å; A135-A139 PolarHBondContact O-N 3Å |
| 136 | K | 98.8 | Very high | 98.7 | Very high | 136 Ų | 136 | 100.4 Ų | 100.4 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.4 | -44.9 | 175.2 | -170.1 | 177.1 | 179.2 | 179.7 | 0 | 112.2 | E132 L133 K134 Y138 A139 D140 | E132-K136 WeakPolarHBondContact O-CB 3.27Å; E132-K136 PolarHBondContact O-N 3.17Å; L133-K136 PolarHBondContact O-N 3.13Å; K134-K136 VanDerWaalsContact C-N 3.32Å; K134-K136 PolarHBondContact O-N 3.22Å; K136-Y138 VanDerWaalsContact C-N 3.32Å; K136-Y138 PolarHBondContact O-N 2.95Å; K136-A139 WeakPolarHBondContact O-CB 3.44Å; K136-A139 PolarHBondContact O-N 3.49Å; K136-D140 PolarHBondContact O-N 2.83Å |
| 137 | N | 98.7 | Very high | 98.7 | Very high | 92 Ų | 92 | 104.1 Ų | 104.1 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 176.9 | -71.6 | -29.3 | 0 | 0 | 0 | 112.6 | L133 K134 Q141 | L133-N137 VanDerWaalsContact O-CG 3.28Å; L133-N137 PolarHBondContact O-N 2.87Å; L133-N137 PolarHBondContact O-ND2 3.34Å; K134-N137 PolarHBondContact O-N 3.02Å; N137-Q141 PolarHBondContact O-N 2.88Å |
| 138 | Y | 98.7 | Very high | 98.7 | Very high | 145 Ų | 145 | 106 Ų | 106 | 57% | 0.569 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -39.9 | 175.4 | -75.1 | -59.5 | 0 | 0 | 0 | 112.3 | K134 A135 K136 D140 Q141 I142 | K134-Y138 WeakPolarHBondContact O-CD2 3.47Å; K134-Y138 PolarHBondContact O-N 3.4Å; A135-Y138 PolarHBondContact O-N 3.48Å; K136-Y138 VanDerWaalsContact C-N 3.32Å; K136-Y138 PolarHBondContact O-N 2.95Å; Y138-D140 VanDerWaalsContact C-N 3.34Å; Y138-D140 PolarHBondContact O-N 3.42Å; Y138-Q141 WeakPolarHBondContact O-CB 3.46Å; Y138-Q141 PolarHBondContact O-N 2.88Å; Y138-I142 VanDerWaalsContact O-CG1 3.26Å; Y138-I142 WeakPolarHBondContact O-CG1 3.41Å; Y138-I142 PolarHBondContact O-N 3.17Å |
| 139 | A | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 108.8 Ų | 108.8 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A135 K136 Q141 I142 S143 | A135-A139 PolarHBondContact O-N 3Å; K136-A139 WeakPolarHBondContact O-CB 3.44Å; K136-A139 PolarHBondContact O-N 3.49Å; A139-Q141 VanDerWaalsContact C-N 3.31Å; A139-Q141 PolarHBondContact O-N 2.77Å; A139-I142 PolarHBondContact O-N 2.69Å; A139-S143 PolarHBondContact O-N 2.98Å; A139-S143 PolarHBondContact O-OG 3.48Å |
| 140 | D | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 105 Ų | 105 | 39% | 0.39 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -38 | 176.4 | -70.6 | -14.5 | 0 | 0 | 0 | 112.1 | K136 Y138 R144 | K136-D140 PolarHBondContact O-N 2.83Å; Y138-D140 VanDerWaalsContact C-N 3.34Å; Y138-D140 PolarHBondContact O-N 3.42Å; D140-R144 WeakPolarHBondContact O-CG 3.3Å; D140-R144 PolarHBondContact O-N 3.32Å |
| 141 | Q | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 104.5 Ų | 104.5 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 175.3 | -176.1 | 178.7 | 31.8 | 0 | 0 | 111.7 | N137 Y138 A139 R144 L145 | N137-Q141 PolarHBondContact O-N 2.88Å; Y138-Q141 WeakPolarHBondContact O-CB 3.46Å; Y138-Q141 PolarHBondContact O-N 2.88Å; A139-Q141 VanDerWaalsContact C-N 3.31Å; A139-Q141 PolarHBondContact O-N 2.77Å; Q141-R144 PolarHBondContact O-N 3.06Å; Q141-L145 HydrophobicContact CG-CD1 4.43Å; Q141-L145 WeakPolarHBondContact O-CG 3.49Å; Q141-L145 PolarHBondContact O-N 2.97Å; Q141-L145 VanDerWaalsContact O-N 3.17Å |
| 142 | I | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 105.2 Ų | 105.2 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 177.9 | -69.6 | 164.1 | 0 | 0 | 0 | 109.7 | Y138 A139 R144 L145 E146 | Y138-I142 VanDerWaalsContact O-CG1 3.26Å; Y138-I142 WeakPolarHBondContact O-CG1 3.41Å; Y138-I142 PolarHBondContact O-N 3.17Å; A139-I142 PolarHBondContact O-N 2.69Å; I142-R144 VanDerWaalsContact C-N 3.28Å; I142-R144 PolarHBondContact O-N 3.26Å; I142-L145 WeakPolarHBondContact O-CA 3.39Å; I142-L145 WeakPolarHBondContact O-CB 3.27Å; I142-L145 PolarHBondContact O-N 3.28Å; I142-E146 HydrophobicContact CG2-CG 4.12Å; I142-E146 WeakPolarHBondContact O-CG 3.38Å; I142-E146 PolarHBondContact O-N 3.05Å |
| 143 | S | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 105.8 Ų | 105.8 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.7 | -38.8 | 179.5 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | A139 L145 E146 E147 | A139-S143 PolarHBondContact O-N 2.98Å; A139-S143 PolarHBondContact O-OG 3.48Å; S143-L145 VanDerWaalsContact C-N 3.31Å; S143-L145 PolarHBondContact O-N 3.07Å; S143-E146 PolarHBondContact O-N 3.32Å; S143-E147 PolarHBondContact O-N 3.05Å |
| 144 | R | 98.6 | Very high | 98.6 | Very high | 156 Ų | 156 | 108.4 Ų | 108.4 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.8 | -29.5 | 175 | -68 | 173.4 | -169.8 | -177.7 | 4.7 | 113.1 | D140 Q141 I142 R148 | D140-R144 WeakPolarHBondContact O-CG 3.3Å; D140-R144 PolarHBondContact O-N 3.32Å; Q141-R144 PolarHBondContact O-N 3.06Å; I142-R144 VanDerWaalsContact C-N 3.28Å; I142-R144 PolarHBondContact O-N 3.26Å; R144-R148 WeakPolarHBondContact O-CG 3.4Å; R144-R148 PolarHBondContact O-N 2.98Å; R144-R148 PolarHBondContact O-NH1 3.47Å |
| 145 | L | 98.5 | Very high | 98.6 | Very high | 100 Ų | 100 | 108.9 Ų | 108.9 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -76.4 | -42.5 | 175.9 | -70.9 | 172.2 | 0 | 0 | 0 | 110.5 | Q141 I142 S143 E147 R148 E149 | Q141-L145 HydrophobicContact CG-CD1 4.43Å; Q141-L145 WeakPolarHBondContact O-CG 3.49Å; Q141-L145 PolarHBondContact O-N 2.97Å; Q141-L145 VanDerWaalsContact O-N 3.17Å; I142-L145 WeakPolarHBondContact O-CA 3.39Å; I142-L145 WeakPolarHBondContact O-CB 3.27Å; I142-L145 PolarHBondContact O-N 3.28Å; S143-L145 VanDerWaalsContact C-N 3.31Å; S143-L145 PolarHBondContact O-N 3.07Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.17Å; L145-R148 PolarHBondContact O-N 3.01Å; L145-E149 PolarHBondContact O-N 3.04Å |
| 146 | E | 98.5 | Very high | 98.5 | Very high | 113 Ų | 113 | 113.3 Ų | 113.3 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 174.9 | -69.3 | 174.5 | 153.3 | 0 | 0 | 111.8 | I142 S143 E149 A150 | I142-E146 HydrophobicContact CG2-CG 4.12Å; I142-E146 WeakPolarHBondContact O-CG 3.38Å; I142-E146 PolarHBondContact O-N 3.05Å; S143-E146 PolarHBondContact O-N 3.32Å; E146-E149 PolarHBondContact O-N 3.28Å; E146-A150 WeakPolarHBondContact O-CB 3.4Å; E146-A150 PolarHBondContact O-N 2.9Å |
| 147 | E | 98.4 | Very high | 98.5 | Very high | 123 Ų | 123 | 110.2 Ų | 110.2 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 175.5 | -174.8 | 174.4 | -153.7 | 0 | 0 | 111.9 | S143 L145 E149 A150 E151 | S143-E147 PolarHBondContact O-N 3.05Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.17Å; E147-E149 VanDerWaalsContact C-N 3.33Å; E147-E149 PolarHBondContact O-N 3.4Å; E147-A150 WeakPolarHBondContact O-CB 3.46Å; E147-A150 PolarHBondContact O-N 2.85Å; E147-E151 WeakPolarHBondContact O-CG 3.48Å; E147-E151 PolarHBondContact O-N 2.96Å |
| 148 | R | 98.4 | Very high | 98.5 | Very high | 135 Ų | 135 | 108.4 Ų | 108.4 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 176.1 | -71.4 | -175.8 | -170.5 | 90.2 | -4.1 | 112.4 | R144 L145 A150 E151 L152 | R144-R148 WeakPolarHBondContact O-CG 3.4Å; R144-R148 PolarHBondContact O-N 2.98Å; R144-R148 PolarHBondContact O-NH1 3.47Å; L145-R148 PolarHBondContact O-N 3.01Å; R148-A150 VanDerWaalsContact C-N 3.32Å; R148-E151 PolarHBondContact O-N 2.8Å; R148-L152 WeakPolarHBondContact O-CG 3.38Å; R148-L152 PolarHBondContact O-N 3.25Å |
| 149 | E | 98.3 | Very high | 98.5 | Very high | 132 Ų | 132 | 106.9 Ų | 106.9 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 175 | -171.7 | -173.7 | 159.7 | 0 | 0 | 110.8 | L145 E146 E147 E151 L152 K153 | L145-E149 PolarHBondContact O-N 3.04Å; E146-E149 PolarHBondContact O-N 3.28Å; E147-E149 VanDerWaalsContact C-N 3.33Å; E147-E149 PolarHBondContact O-N 3.4Å; E149-E151 PolarHBondContact O-N 3.33Å; E149-L152 PolarHBondContact O-N 3.49Å; E149-K153 VanDerWaalsContact O-CB 3.31Å; E149-K153 WeakPolarHBondContact O-CB 3.43Å; E149-K153 PolarHBondContact O-N 3.47Å |
| 150 | A | 98.5 | Very high | 98.5 | Very high | 61 Ų | 61 | 109.2 Ų | 109.2 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E146 E147 R148 K153 K154 | E146-A150 WeakPolarHBondContact O-CB 3.4Å; E146-A150 PolarHBondContact O-N 2.9Å; E147-A150 WeakPolarHBondContact O-CB 3.46Å; E147-A150 PolarHBondContact O-N 2.85Å; R148-A150 VanDerWaalsContact C-N 3.32Å; A150-K153 PolarHBondContact O-N 3.23Å; A150-K154 WeakPolarHBondContact O-CB 3.39Å; A150-K154 PolarHBondContact O-N 3.46Å |
| 151 | E | 98.3 | Very high | 98.5 | Very high | 109 Ų | 109 | 111.4 Ų | 111.4 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.3 | -51.6 | 173.7 | -72.8 | 177.2 | 166.2 | 0 | 0 | 111.7 | E147 R148 E149 K153 K154 E155 | E147-E151 WeakPolarHBondContact O-CG 3.48Å; E147-E151 PolarHBondContact O-N 2.96Å; R148-E151 PolarHBondContact O-N 2.8Å; E149-E151 PolarHBondContact O-N 3.33Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 PolarHBondContact O-N 3.45Å; E151-K154 WeakPolarHBondContact O-CA 3.36Å; E151-K154 WeakPolarHBondContact O-CB 3.47Å; E151-K154 PolarHBondContact O-N 3.24Å; E151-E155 PolarHBondContact O-N 3.21Å |
| 152 | L | 98.4 | Very high | 98.5 | Very high | 114 Ų | 114 | 114.2 Ų | 114.2 | 60% | 0.597 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.2 | -39.1 | 177.5 | -73.5 | 172.2 | 0 | 0 | 0 | 111.9 | R148 E149 K154 E155 Y156 | R148-L152 WeakPolarHBondContact O-CG 3.38Å; R148-L152 PolarHBondContact O-N 3.25Å; E149-L152 PolarHBondContact O-N 3.49Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 3.01Å; L152-E155 PolarHBondContact O-N 3.44Å; L152-Y156 WeakPolarHBondContact O-CB 3.46Å; L152-Y156 PolarHBondContact O-N 3.07Å |
| 153 | K | 98.6 | Very high | 98.4 | Very high | 133 Ų | 133 | 114.7 Ų | 114.7 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -38.4 | 175.5 | -169.2 | 173.9 | -173.9 | 173.1 | 0 | 111.9 | E149 A150 E151 N157 | E149-K153 VanDerWaalsContact O-CB 3.31Å; E149-K153 WeakPolarHBondContact O-CB 3.43Å; E149-K153 PolarHBondContact O-N 3.47Å; A150-K153 PolarHBondContact O-N 3.23Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 PolarHBondContact O-N 3.45Å; K153-N157 WeakPolarHBondContact O-CB 3.44Å; K153-N157 PolarHBondContact O-N 2.9Å; K153-N157 PolarHBondContact O-ND2 3.27Å |
| 154 | K | 98.6 | Very high | 98.4 | Very high | 161 Ų | 161 | 113.8 Ų | 113.8 | 70% | 0.7 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -45.4 | 174.6 | -174.5 | -176.5 | 177.9 | -175.8 | 0 | 111.2 | A150 E151 L152 N157 A158 | A150-K154 WeakPolarHBondContact O-CB 3.39Å; A150-K154 PolarHBondContact O-N 3.46Å; E151-K154 WeakPolarHBondContact O-CA 3.36Å; E151-K154 WeakPolarHBondContact O-CB 3.47Å; E151-K154 PolarHBondContact O-N 3.24Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 3.01Å; K154-N157 PolarHBondContact O-N 2.91Å; K154-A158 WeakPolarHBondContact O-CB 3.13Å; K154-A158 PolarHBondContact O-N 2.97Å |
| 155 | E | 98.1 | Very high | 98.4 | Very high | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.5 | -45 | 176.6 | -69.9 | -175.6 | 168.9 | 0 | 0 | 112.1 | E151 L152 N157 A158 L159 | E151-E155 PolarHBondContact O-N 3.21Å; L152-E155 PolarHBondContact O-N 3.44Å; E155-N157 PolarHBondContact O-N 3.48Å; E155-A158 PolarHBondContact O-N 2.93Å; E155-L159 WeakPolarHBondContact O-CB 3.46Å; E155-L159 PolarHBondContact O-N 3.23Å |
| 156 | Y | 98.5 | Very high | 98.3 | Very high | 152 Ų | 152 | 112.6 Ų | 112.6 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.4 | -47.9 | 174.7 | 174 | -94.4 | 0 | 0 | 0 | 111.6 | L152 A158 L159 H160 | L152-Y156 WeakPolarHBondContact O-CB 3.46Å; L152-Y156 PolarHBondContact O-N 3.07Å; Y156-A158 PolarHBondContact O-N 3.31Å; Y156-L159 PolarHBondContact O-N 3.4Å; Y156-H160 WeakPolarHBondContact O-CB 3.26Å; Y156-H160 PolarHBondContact O-N 3.38Å |
| 157 | N | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 111.5 Ų | 111.5 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 178.7 | -73.6 | -23.2 | 0 | 0 | 0 | 112 | K153 K154 E155 H160 Q161 | K153-N157 WeakPolarHBondContact O-CB 3.44Å; K153-N157 PolarHBondContact O-N 2.9Å; K153-N157 PolarHBondContact O-ND2 3.27Å; K154-N157 PolarHBondContact O-N 2.91Å; E155-N157 PolarHBondContact O-N 3.48Å; N157-H160 PolarHBondContact O-N 3.27Å; N157-Q161 WeakPolarHBondContact O-CB 3.49Å; N157-Q161 VanDerWaalsContact O-CG 3.3Å; N157-Q161 WeakPolarHBondContact O-CG 3.49Å; N157-Q161 PolarHBondContact O-N 2.88Å |
| 158 | A | 98.6 | Very high | 98.2 | Very high | 53 Ų | 53 | 110.7 Ų | 110.7 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K154 E155 Y156 Q161 R162 | K154-A158 WeakPolarHBondContact O-CB 3.13Å; K154-A158 PolarHBondContact O-N 2.97Å; E155-A158 PolarHBondContact O-N 2.93Å; Y156-A158 PolarHBondContact O-N 3.31Å; A158-Q161 PolarHBondContact O-N 3.23Å; A158-R162 PolarHBondContact O-N 3.37Å |
| 159 | L | 98.4 | Very high | 98.2 | Very high | 114 Ų | 114 | 108.2 Ų | 108.2 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 175.5 | -177.1 | 63.3 | 0 | 0 | 0 | 111.4 | E155 Y156 R162 H163 | E155-L159 WeakPolarHBondContact O-CB 3.46Å; E155-L159 PolarHBondContact O-N 3.23Å; Y156-L159 PolarHBondContact O-N 3.4Å; L159-R162 PolarHBondContact O-N 3.11Å; L159-H163 WeakPolarHBondContact O-CB 3.32Å; L159-H163 PolarHBondContact O-N 2.9Å |
| 160 | H | 98.6 | Very high | 98.1 | Very high | 96 Ų | 96 | 109.6 Ų | 109.6 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 176.4 | -174.7 | 76 | 0 | 0 | 0 | 112.1 | Y156 N157 H163 T164 | Y156-H160 WeakPolarHBondContact O-CB 3.26Å; Y156-H160 PolarHBondContact O-N 3.38Å; N157-H160 PolarHBondContact O-N 3.27Å; H160-H163 PolarHBondContact O-N 2.91Å; H160-T164 WeakPolarHBondContact O-CB 3.43Å; H160-T164 PolarHBondContact O-N 3.23Å; H160-T164 PolarHBondContact O-OG1 3.25Å |
| 161 | Q | 98.3 | Very high | 98 | Very high | 119 Ų | 119 | 111.1 Ų | 111.1 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60 | -50.3 | 173.6 | -76 | 168.8 | 11.8 | 0 | 0 | 110.9 | N157 A158 H163 T164 E165 | N157-Q161 WeakPolarHBondContact O-CB 3.49Å; N157-Q161 VanDerWaalsContact O-CG 3.3Å; N157-Q161 WeakPolarHBondContact O-CG 3.49Å; N157-Q161 PolarHBondContact O-N 2.88Å; A158-Q161 PolarHBondContact O-N 3.23Å; Q161-H163 VanDerWaalsContact C-N 3.31Å; Q161-H163 PolarHBondContact O-N 3.17Å; Q161-T164 WeakPolarHBondContact O-CB 3.45Å; Q161-T164 PolarHBondContact O-N 2.95Å; Q161-T164 VanDerWaalsContact O-N 3.09Å; Q161-E165 WeakPolarHBondContact O-CG 3.43Å; Q161-E165 PolarHBondContact O-N 3.2Å |
| 162 | R | 98.2 | Very high | 97.8 | Very high | 170 Ų | 170 | 109.8 Ų | 109.8 | 64% | 0.642 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.7 | -41.6 | 177.4 | -174.2 | -177.1 | 179.4 | -172.6 | 0.9 | 112.6 | A158 L159 M166 | A158-R162 PolarHBondContact O-N 3.37Å; L159-R162 PolarHBondContact O-N 3.11Å; R162-M166 WeakPolarHBondContact O-CB 3.35Å; R162-M166 PolarHBondContact O-N 3.25Å |
| 163 | H | 98.1 | Very high | 97.6 | Very high | 99 Ų | 99 | 109.6 Ų | 109.6 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.8 | 174.9 | -100.4 | 0 | 0 | 0 | 111.5 | L159 H160 Q161 M166 I167 | L159-H163 WeakPolarHBondContact O-CB 3.32Å; L159-H163 PolarHBondContact O-N 2.9Å; H160-H163 PolarHBondContact O-N 2.91Å; Q161-H163 VanDerWaalsContact C-N 3.31Å; Q161-H163 PolarHBondContact O-N 3.17Å; H163-M166 WeakPolarHBondContact O-CB 3.5Å; H163-M166 PolarHBondContact O-N 3.37Å; H163-I167 WeakPolarHBondContact CE1-CD1 3.37Å; H163-I167 PolarHBondContact O-N 3.03Å; H163-I167 VanDerWaalsContact O-N 3.07Å |
| 164 | T | 98.3 | Very high | 97.4 | Very high | 48 Ų | 48 | 108.1 Ų | 108.1 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | H160 Q161 M166 I167 H168 | H160-T164 WeakPolarHBondContact O-CB 3.43Å; H160-T164 PolarHBondContact O-N 3.23Å; H160-T164 PolarHBondContact O-OG1 3.25Å; Q161-T164 WeakPolarHBondContact O-CB 3.45Å; Q161-T164 PolarHBondContact O-N 2.95Å; Q161-T164 VanDerWaalsContact O-N 3.09Å; T164-M166 VanDerWaalsContact C-N 3.32Å; T164-M166 PolarHBondContact O-N 3.3Å; T164-I167 PolarHBondContact O-N 3.25Å; T164-H168 PolarHBondContact O-N 3.44Å; T164-H168 PolarHBondContact O-ND1 3.45Å |
| 165 | E | 97.5 | Very high | 97.1 | Very high | 115 Ų | 115 | 105.9 Ų | 105.9 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 174.2 | -72.5 | 169.7 | -174 | 0 | 0 | 111.5 | Q161 I167 H168 N169 | Q161-E165 WeakPolarHBondContact O-CG 3.43Å; Q161-E165 PolarHBondContact O-N 3.2Å; E165-I167 VanDerWaalsContact C-N 3.33Å; E165-I167 PolarHBondContact O-N 3.42Å; E165-H168 PolarHBondContact O-N 2.91Å; E165-N169 WeakPolarHBondContact O-CB 3.46Å; E165-N169 VanDerWaalsContact O-CG 3.25Å; E165-N169 PolarHBondContact O-N 3.47Å; E165-N169 PolarHBondContact O-ND2 2.95Å |
| 166 | M | 97.9 | Very high | 96.8 | Very high | 116 Ų | 116 | 106.1 Ų | 106.1 | 57% | 0.571 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.4 | -43.2 | 176.4 | -171.3 | -170.8 | -56.2 | 0 | 0 | 111.9 | R162 H163 T164 Y170 | R162-M166 WeakPolarHBondContact O-CB 3.35Å; R162-M166 PolarHBondContact O-N 3.25Å; H163-M166 WeakPolarHBondContact O-CB 3.5Å; H163-M166 PolarHBondContact O-N 3.37Å; T164-M166 VanDerWaalsContact C-N 3.32Å; T164-M166 PolarHBondContact O-N 3.3Å; M166-Y170 WeakPolarHBondContact O-CB 3.44Å; M166-Y170 PolarHBondContact O-N 2.86Å |
| 167 | I | 97.5 | Very high | 96.3 | Very high | 90 Ų | 90 | 102.6 Ų | 102.6 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 175.7 | -69.1 | 171.4 | 0 | 0 | 0 | 110.8 | H163 T164 E165 N169 Y170 M171 | H163-I167 WeakPolarHBondContact CE1-CD1 3.37Å; H163-I167 PolarHBondContact O-N 3.03Å; H163-I167 VanDerWaalsContact O-N 3.07Å; T164-I167 PolarHBondContact O-N 3.25Å; E165-I167 VanDerWaalsContact C-N 3.33Å; E165-I167 PolarHBondContact O-N 3.42Å; I167-N169 PolarHBondContact O-N 3.31Å; I167-Y170 PolarHBondContact O-N 3.43Å; I167-M171 WeakPolarHBondContact O-CB 3.46Å; I167-M171 PolarHBondContact O-N 2.87Å |
| 168 | H | 97.4 | Very high | 95.7 | Very high | 106 Ų | 106 | 105.7 Ų | 105.7 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 178.9 | -76.2 | 81.7 | 0 | 0 | 0 | 111.5 | T164 E165 Y170 M171 E172 | T164-H168 PolarHBondContact O-N 3.44Å; T164-H168 PolarHBondContact O-ND1 3.45Å; E165-H168 PolarHBondContact O-N 2.91Å; H168-Y170 VanDerWaalsContact C-N 3.34Å; H168-Y170 PolarHBondContact O-N 2.9Å; H168-M171 PolarHBondContact O-N 3.5Å; H168-E172 WeakPolarHBondContact O-CB 3.31Å; H168-E172 PolarHBondContact O-N 2.92Å |
| 169 | N | 96.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 108.8 Ų | 108.8 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 175.9 | -74.6 | -42 | 0 | 0 | 0 | 111.4 | E165 I167 M171 E172 H173 | E165-N169 WeakPolarHBondContact O-CB 3.46Å; E165-N169 VanDerWaalsContact O-CG 3.25Å; E165-N169 PolarHBondContact O-N 3.47Å; E165-N169 PolarHBondContact O-ND2 2.95Å; I167-N169 PolarHBondContact O-N 3.31Å; N169-M171 PolarHBondContact O-N 3.39Å; N169-E172 PolarHBondContact O-N 3.4Å; N169-H173 WeakPolarHBondContact O-CB 3.39Å; N169-H173 PolarHBondContact O-CD2 2.97Å; N169-H173 PolarHBondContact O-N 3.44Å |
| 170 | Y | 96.8 | Very high | 93.7 | Very high | 162 Ų | 162 | 110.5 Ų | 110.5 | 64% | 0.635 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 177.9 | -179.8 | -98 | 0 | 0 | 0 | 112.2 | M166 I167 H168 H173 L174 | M166-Y170 WeakPolarHBondContact O-CB 3.44Å; M166-Y170 PolarHBondContact O-N 2.86Å; I167-Y170 PolarHBondContact O-N 3.43Å; H168-Y170 VanDerWaalsContact C-N 3.34Å; H168-Y170 PolarHBondContact O-N 2.9Å; Y170-H173 PolarHBondContact O-N 3.36Å; Y170-L174 PolarHBondContact O-N 3.5Å |
| 171 | M | 95.9 | Very high | 92.2 | Very high | 92 Ų | 92 | 113.1 Ų | 113.1 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 176.5 | -174.8 | 175.2 | 68 | 0 | 0 | 111.4 | I167 H168 N169 H173 L174 E175 | I167-M171 WeakPolarHBondContact O-CB 3.46Å; I167-M171 PolarHBondContact O-N 2.87Å; H168-M171 PolarHBondContact O-N 3.5Å; N169-M171 PolarHBondContact O-N 3.39Å; M171-H173 VanDerWaalsContact C-N 3.35Å; M171-H173 PolarHBondContact O-N 2.94Å; M171-L174 WeakPolarHBondContact O-CB 3.49Å; M171-L174 PolarHBondContact O-N 3.19Å; M171-E175 WeakPolarHBondContact O-CG 3.43Å; M171-E175 PolarHBondContact O-N 3.21Å |
| 172 | E | 94.8 | Very high | 90.6 | Very high | 82 Ų | 82 | 114.1 Ų | 114.1 | 38% | 0.383 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 177 | -168.4 | -175.3 | -173.5 | 0 | 0 | 111.6 | H168 N169 L174 E175 R176 | H168-E172 WeakPolarHBondContact O-CB 3.31Å; H168-E172 PolarHBondContact O-N 2.92Å; N169-E172 PolarHBondContact O-N 3.4Å; E172-L174 PolarHBondContact O-N 3.01Å; E172-E175 PolarHBondContact O-N 2.99Å; E172-R176 WeakPolarHBondContact O-CB 3.44Å; E172-R176 VanDerWaalsContact O-CG 3.27Å; E172-R176 WeakPolarHBondContact O-CG 3.33Å; E172-R176 PolarHBondContact O-N 3.32Å; E172-R176 IonicContact OE1-CZ 2.87Å; E172-R176 IonicContact OE1-NE 3.35Å; E172-R176 PolarHBondContact OE1-NE 3.46Å; E172-R176 IonicContact OE1-NH2 3.7Å; E172-R176 PolarHBondContact OE1-NH2 2.86Å; E172-R176 IonicContact OE2-CZ 3.63Å; E172-R176 IonicContact OE2-NH2 3.64Å; E172-R176 PolarHBondContact OE2-NH2 2.9Å |
| 173 | H | 94.1 | Very high | 88.7 | Confident | 109 Ų | 109 | 111 Ų | 111 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 173.5 | -82.2 | -64 | 0 | 0 | 0 | 112 | N169 Y170 M171 E175 R176 T177 | N169-H173 WeakPolarHBondContact O-CB 3.39Å; N169-H173 PolarHBondContact O-CD2 2.97Å; N169-H173 PolarHBondContact O-N 3.44Å; Y170-H173 PolarHBondContact O-N 3.36Å; M171-H173 VanDerWaalsContact C-N 3.35Å; M171-H173 PolarHBondContact O-N 2.94Å; H173-E175 PolarHBondContact O-N 2.97Å; H173-R176 PolarHBondContact O-N 3.36Å; H173-T177 PolarHBondContact O-N 3.28Å; H173-T177 PolarHBondContact O-OG1 3.09Å; H173-T177 VanDerWaalsContact O-OG1 3.09Å |
| 174 | L | 94.5 | Very high | 86.3 | Confident | 103 Ų | 103 | 108.5 Ų | 108.5 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.9 | -175.1 | 67.6 | 0 | 0 | 0 | 111.8 | Y170 M171 E172 T177 K178 | Y170-L174 PolarHBondContact O-N 3.5Å; M171-L174 WeakPolarHBondContact O-CB 3.49Å; M171-L174 PolarHBondContact O-N 3.19Å; E172-L174 PolarHBondContact O-N 3.01Å; L174-T177 PolarHBondContact O-N 3.46Å; L174-K178 WeakPolarHBondContact O-CB 3.36Å; L174-K178 PolarHBondContact O-N 2.89Å |
| 175 | E | 92.7 | Very high | 84 | Confident | 113 Ų | 113 | 111.8 Ų | 111.8 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64 | -44.9 | 176.4 | -72.7 | 179.7 | 172.8 | 0 | 0 | 112.1 | M171 E172 H173 T177 K178 L179 | M171-E175 WeakPolarHBondContact O-CG 3.43Å; M171-E175 PolarHBondContact O-N 3.21Å; E172-E175 PolarHBondContact O-N 2.99Å; H173-E175 PolarHBondContact O-N 2.97Å; E175-T177 PolarHBondContact O-N 2.92Å; E175-K178 PolarHBondContact O-N 3.07Å; E175-L179 PolarHBondContact O-N 3.37Å |
| 176 | R | 91.3 | Very high | 81.5 | Confident | 137 Ų | 137 | 113.2 Ų | 113.2 | 52% | 0.517 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.2 | -44.7 | 174.2 | -71.4 | 174.7 | -172 | 176.2 | 3.5 | 111.5 | E172 H173 L179 H180 | E172-R176 WeakPolarHBondContact O-CB 3.44Å; E172-R176 VanDerWaalsContact O-CG 3.27Å; E172-R176 WeakPolarHBondContact O-CG 3.33Å; E172-R176 PolarHBondContact O-N 3.32Å; E172-R176 IonicContact OE1-CZ 2.87Å; E172-R176 IonicContact OE1-NE 3.35Å; E172-R176 PolarHBondContact OE1-NE 3.46Å; E172-R176 IonicContact OE1-NH2 3.7Å; E172-R176 PolarHBondContact OE1-NH2 2.86Å; E172-R176 IonicContact OE2-CZ 3.63Å; E172-R176 IonicContact OE2-NH2 3.64Å; E172-R176 PolarHBondContact OE2-NH2 2.9Å; H173-R176 PolarHBondContact O-N 3.36Å; R176-L179 PolarHBondContact O-N 2.9Å; R176-H180 WeakPolarHBondContact O-CB 3.33Å; R176-H180 PolarHBondContact O-N 2.89Å |
| 177 | T | 88.4 | Confident | 78.6 | Confident | 77 Ų | 77 | 116.8 Ų | 116.8 | 47% | 0.472 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.5 | -40 | 176.7 | -62 | 0 | 0 | 0 | 0 | 111.9 | H173 L174 E175 H180 Q181 | H173-T177 PolarHBondContact O-N 3.28Å; H173-T177 PolarHBondContact O-OG1 3.09Å; H173-T177 VanDerWaalsContact O-OG1 3.09Å; L174-T177 PolarHBondContact O-N 3.46Å; E175-T177 PolarHBondContact O-N 2.92Å; T177-H180 PolarHBondContact O-N 3.03Å; T177-Q181 WeakPolarHBondContact O-CG 3.4Å; T177-Q181 PolarHBondContact O-N 2.79Å; T177-Q181 VanDerWaalsContact O-N 3.17Å |
| 178 | K | 86.9 | Confident | 76.3 | Confident | 137 Ų | 137 | 120.3 Ų | 120.3 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.3 | -41.4 | 175.3 | -174.1 | 179.3 | 177.2 | -175.1 | 0 | 111.8 | L174 E175 Q181 L182 | L174-K178 WeakPolarHBondContact O-CB 3.36Å; L174-K178 PolarHBondContact O-N 2.89Å; E175-K178 PolarHBondContact O-N 3.07Å; K178-Q181 PolarHBondContact O-N 3.25Å; K178-L182 HydrophobicContact CG-CD1 4.18Å; K178-L182 WeakPolarHBondContact O-CG 3.39Å; K178-L182 PolarHBondContact O-N 3.36Å |
| 179 | L | 80.4 | Confident | 73.4 | Confident | 117 Ų | 117 | 123.2 Ų | 123.2 | 61% | 0.613 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.8 | -42 | 176.1 | -119.4 | 86.7 | 0 | 0 | 0 | 112 | E175 R176 Q181 L182 S183 | E175-L179 PolarHBondContact O-N 3.37Å; R176-L179 PolarHBondContact O-N 2.9Å; L179-Q181 VanDerWaalsContact C-N 3.27Å; L179-Q181 PolarHBondContact O-N 3.39Å; L179-L182 CarbonylContact O-C 3.54Å; L179-L182 PolarHBondContact O-N 2.96Å; L179-S183 WeakPolarHBondContact O-CB 3.48Å; L179-S183 PolarHBondContact O-N 3.38Å |
| 180 | H | 73.6 | Confident | 70.4 | Confident | 151 Ų | 151 | 123.2 Ų | 123.2 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63 | -35.1 | 178.3 | -165.1 | -107.1 | 0 | 0 | 0 | 112.1 | R176 T177 | R176-H180 WeakPolarHBondContact O-CB 3.33Å; R176-H180 PolarHBondContact O-N 2.89Å; T177-H180 PolarHBondContact O-N 3.03Å |
| 181 | Q | 67.4 | Low | 67.4 | Low | 150 Ų | 150 | 121.6 Ų | 121.6 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.5 | -30.5 | 172.5 | -72 | -179.9 | 51 | 0 | 0 | 113.3 | T177 K178 L179 | T177-Q181 WeakPolarHBondContact O-CG 3.4Å; T177-Q181 PolarHBondContact O-N 2.79Å; T177-Q181 VanDerWaalsContact O-N 3.17Å; K178-Q181 PolarHBondContact O-N 3.25Å; L179-Q181 VanDerWaalsContact C-N 3.27Å; L179-Q181 PolarHBondContact O-N 3.39Å |
| 182 | L | 63.6 | Low | 64.8 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -90.2 | -22.2 | -179.7 | -69.2 | 170.8 | 0 | 0 | 0 | 113.6 | K178 L179 | K178-L182 HydrophobicContact CG-CD1 4.18Å; K178-L182 WeakPolarHBondContact O-CG 3.39Å; K178-L182 PolarHBondContact O-N 3.36Å; L179-L182 CarbonylContact O-C 3.54Å; L179-L182 PolarHBondContact O-N 2.96Å |
| 183 | S | 59.3 | Low | 62.2 | Low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -111.4 | 13.5 | -170.8 | -160.8 | 0 | 0 | 0 | 0 | 114.1 | L179 | L179-S183 WeakPolarHBondContact O-CB 3.48Å; L179-S183 PolarHBondContact O-N 3.38Å |
| 184 | G | 47 | Very low | 59.6 | Low | 45 Ų | 45 | 126.9 Ų | 126.9 | 46% | 0.464 | 69% | 0.691 | S | S | . | * | trans | -167.5 | 80.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D186 | G184-D186 VanDerWaalsContact C-N 3.25Å; G184-D186 PolarHBondContact O-N 3.36Å | ||
| 185 | S | 49.9 | Very low | 57.2 | Low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | trans | -79.9 | 87.5 | 140.2 | -179.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 186 | D | 44.9 | Very low | 54.9 | Low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 169.9 | 76.2 | 144.7 | -84.4 | -11.3 | 0 | 0 | 0 | 111.4 | G184 | G184-D186 VanDerWaalsContact C-N 3.25Å; G184-D186 PolarHBondContact O-N 3.36Å |
| 187 | Q | 38.3 | Very low | 52.4 | Low | 191 Ų | 191 | 138.8 Ų | 138.8 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | 178.7 | 108.8 | 123.9 | -106.5 | 178 | 93 | 0 | 0 | 109.4 | |||||
| 188 | L | 49.3 | Very low | 50.5 | Low | 164 Ų | 164 | 144.7 Ų | 144.7 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -58.3 | 133.6 | 156.7 | -75.4 | 156.5 | 0 | 0 | 0 | 109.2 | ||||
| 189 | E | 35.4 | Very low | 48.3 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 166.3 | 132.6 | 149.1 | -89.4 | -45.5 | 117.3 | 0 | 0 | 104.4 | ||||
| 190 | S | 33.1 | Very low | 46.7 | Very low | 81 Ų | 81 | 149.5 Ų | 149.5 | 57% | 0.566 | 76% | 0.764 | S | S | * | * | cis | -165.9 | 143.3 | 8.8 | -153.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 191 | T | 35.6 | Very low | 45.4 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 45.1 | 99.9 | 129.7 | -50.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 192 | A | 39.6 | Very low | 44.4 | Very low | 94 Ų | 94 | 148.7 Ų | 148.7 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | 175.9 | 70.8 | 117.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 193 | H | 41.2 | Very low | 43.5 | Very low | 195 Ų | 195 | 146.5 Ų | 146.5 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | trans | -66.3 | 141.3 | 151.5 | -74.6 | -70.3 | 0 | 0 | 0 | 108.9 | ||||
| 194 | S | 39.1 | Very low | 43.3 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 91.4 | 83.3 | 159.6 | -139.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 195 | R | 43.3 | Very low | 43 | Very low | 249 Ų | 249 | 151.1 Ų | 151.1 | 94% | 0.94 | 79% | 0.791 | S | S | * | * | -140.2 | 73.7 | 127.6 | -62.9 | -168.8 | -148.8 | -161.8 | 7.2 | 109.9 | R197 | R195-R197 VanDerWaalsContact C-N 3.3Å; R195-R197 PolarHBondContact O-N 3.02Å | |||
| 196 | I | 45.2 | Very low | 43 | Very low | 148 Ų | 148 | 153.3 Ų | 153.3 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -70.5 | 93.5 | 161.1 | -75.2 | 155.1 | 0 | 0 | 0 | 106.7 | K198 | I196-K198 HydrophobicContact CG2-CG 4.11Å; I196-K198 PolarHBondContact O-N 2.82Å | ||
| 197 | R | 39.6 | Very low | 42.8 | Very low | 206 Ų | 206 | 155.6 Ų | 155.6 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -82.6 | 100.3 | 161.1 | -135.5 | -175.5 | -167.9 | -114.9 | 6.5 | 106 | R195 E199 | R195-R197 VanDerWaalsContact C-N 3.3Å; R195-R197 PolarHBondContact O-N 3.02Å; R197-E199 VanDerWaalsContact C-N 3.27Å; R197-E199 IonicContact CZ-OE1 4Å; R197-E199 IonicContact NH1-OE1 2.78Å; R197-E199 PolarHBondContact NH1-OE1 3.43Å; R197-E199 PolarHBondContact O-N 2.95Å | ||
| 198 | K | 48.5 | Very low | 43 | Very low | 200 Ų | 200 | 151.8 Ų | 151.8 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 86.3 | 168 | -90.2 | 177 | 169.8 | 175.7 | 0 | 108.5 | I196 | I196-K198 HydrophobicContact CG2-CG 4.11Å; I196-K198 PolarHBondContact O-N 2.82Å | ||
| 199 | E | 40.3 | Very low | 42.8 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 60% | 0.603 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 123.5 | 160.2 | -71.9 | -91.4 | 160.6 | 0 | 0 | 107.1 | R197 | R197-E199 VanDerWaalsContact C-N 3.27Å; R197-E199 IonicContact CZ-OE1 4Å; R197-E199 IonicContact NH1-OE1 2.78Å; R197-E199 PolarHBondContact NH1-OE1 3.43Å; R197-E199 PolarHBondContact O-N 2.95Å |
| 200 | R | 46.2 | Very low | 43.2 | Very low | 226 Ų | 226 | 149.9 Ų | 149.9 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 139.4 | 170.4 | -70.6 | 164.4 | 172.7 | 159.6 | -4.1 | 107.5 | I202 | R200-I202 PolarHBondContact O-N 3.25Š|
| 201 | P | 47 | Very low | 43.6 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 119.2 | 169.6 | 25 | -30.5 | 0 | 0 | 0 | 107.8 | S203 | P201-S203 PolarHBondContact O-N 3.46Š|
| 202 | I | 46 | Very low | 43.5 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -61.5 | 112.2 | 175.2 | -73.4 | 163.2 | 0 | 0 | 0 | 106.6 | R200 | R200-I202 PolarHBondContact O-N 3.25Š| ||
| 203 | S | 45.3 | Very low | 43.1 | Very low | 96 Ų | 96 | 152.6 Ų | 152.6 | 67% | 0.671 | 81% | 0.814 | S | S | * | * | trans | -41.3 | 134.4 | 171.7 | 42.3 | 0 | 0 | 0 | 0 | 111.6 | P201 G205 | P201-S203 PolarHBondContact O-N 3.46Å; S203-G205 VanDerWaalsContact C-N 3.33Å; S203-G205 PolarHBondContact O-N 2.96Å | ||
| 204 | L | 55.3 | Low | 42.6 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -47.7 | 94.2 | 170.1 | -157.2 | 76.2 | 0 | 0 | 0 | 109.5 | ||||
| 205 | G | 40.5 | Very low | 42.5 | Very low | 64 Ų | 64 | 148.2 Ų | 148.2 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88 | 120.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S203 F207 | S203-G205 VanDerWaalsContact C-N 3.33Å; S203-G205 PolarHBondContact O-N 2.96Å; G205-F207 PolarHBondContact O-N 3.33Å |
| 206 | I | 49.8 | Very low | 42.2 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 127.5 | 173.7 | -65.7 | 146.3 | 0 | 0 | 0 | 110.8 | ||
| 207 | F | 39.7 | Very low | 41.7 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 128.7 | 173.3 | -120.6 | -91.4 | 0 | 0 | 0 | 109.8 | G205 | G205-F207 PolarHBondContact O-N 3.33Š|
| 208 | P | 43.6 | Very low | 41.8 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 128.8 | 169.4 | 16.7 | -5.5 | 0 | 0 | 0 | 109.9 | ||
| 209 | L | 45.3 | Very low | 40.9 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 141.1 | 164.3 | -71 | 167.5 | 0 | 0 | 0 | 109.1 | ||
| 210 | P | 44.1 | Very low | 40.5 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 136.8 | 178.7 | 28.4 | -31.6 | 0 | 0 | 0 | 111 | ||
| 211 | A | 40.2 | Very low | 40.1 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 140.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 212 | G | 33.8 | Very low | 39.6 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 139.4 | 122.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 213 | D | 30.6 | Very low | 39.2 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | cis | -168.4 | 161 | 22.5 | -166.3 | 7.8 | 0 | 0 | 0 | 109.1 | ||||
| 214 | G | 31.5 | Very low | 39 | Very low | 53 Ų | 53 | 130.1 Ų | 130.1 | 55% | 0.546 | 80% | 0.801 | S | S | . | * | trans | 111 | 98.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 215 | L | 36.4 | Very low | 38.1 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | 84.3 | 111.6 | 137.5 | -83.8 | 86.3 | 0 | 0 | 0 | 122.6 | ||||
| 216 | L | 38.1 | Very low | 38 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | 66.4 | 100.6 | 129.1 | -51.4 | -179.6 | 0 | 0 | 0 | 120.8 | |||||
| 217 | T | 33.5 | Very low | 37.4 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 2 | 158.3 | 138.1 | 34 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 218 | P | 42.9 | Very low | 37.6 | Very low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -141.8 | 162.6 | 21.5 | 32.8 | -9.5 | 0 | 0 | 0 | 118.9 | ||||
| 219 | D | 28.6 | Very low | 37.6 | Very low | 163 Ų | 163 | 124 Ų | 124 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | 45.8 | 114 | 151 | -102.1 | -27.6 | 0 | 0 | 0 | 123.3 | ||||
| 220 | A | 32.8 | Very low | 37.2 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | -165.9 | 129.1 | 121.2 | 0 | 0 | 0 | 0 | 0 | 110 | K222 | A220-K222 PolarHBondContact O-N 2.97Š| |||
| 221 | Q | 38 | Very low | 37.2 | Very low | 199 Ų | 199 | 124.7 Ų | 124.7 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -42.3 | 121 | 169.4 | -85.3 | 165.6 | -120.2 | 0 | 0 | 112.6 | ||||
| 222 | K | 35.5 | Very low | 37.3 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 70% | 0.7 | 79% | 0.785 | S | S | * | * | trans | -136.6 | 118.4 | 155.4 | -128.2 | -165.8 | -177.3 | -140.8 | 0 | 110.3 | A220 E225 | A220-K222 PolarHBondContact O-N 2.97Å; K222-E225 IonicContact NZ-OE2 2.64Å; K222-E225 PolarHBondContact NZ-OE2 2.84Å | ||
| 223 | G | 37.6 | Very low | 37.5 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | -59.2 | 145 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 224 | G | 40.8 | Very low | 37.8 | Very low | 84 Ų | 84 | 136.3 Ų | 136.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -63.6 | 131.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 225 | E | 36.7 | Very low | 37.9 | Very low | 126 Ų | 126 | 142 Ų | 142 | 59% | 0.589 | 79% | 0.788 | S | S | * | * | trans | -131 | 126.9 | 165.1 | -70 | 175.5 | 127.5 | 0 | 0 | 108 | K222 | K222-E225 IonicContact NZ-OE2 2.64Å; K222-E225 PolarHBondContact NZ-OE2 2.84Å | ||
| 226 | T | 37.7 | Very low | 38.3 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -60.3 | 137.2 | 179 | 42.3 | 0 | 0 | 0 | 0 | 112.3 | G228 | T226-G228 PolarHBondContact O-N 2.95Š| ||
| 227 | P | 38.9 | Very low | 38.5 | Very low | 138 Ų | 138 | 143 Ų | 143 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -77.9 | 111.8 | 178.8 | 30.1 | -30.6 | 0 | 0 | 0 | 110.2 | ||
| 228 | G | 42.3 | Very low | 38.6 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 161.4 | 2.4 | 171 | 0 | 0 | 0 | 0 | 0 | 118.9 | T226 | T226-G228 PolarHBondContact O-N 2.95Š|
| 229 | S | 44.8 | Very low | 38.4 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -138.8 | 17.2 | -172.2 | -138.4 | 0 | 0 | 0 | 0 | 117.9 | ||
| 230 | E | 37.5 | Very low | 38.9 | Very low | 112 Ų | 112 | 143 Ų | 143 | 52% | 0.523 | 79% | 0.786 | S | S | . | * | trans | -115.2 | 13 | -173.5 | -65.5 | -146.8 | 117.3 | 0 | 0 | 117 | W232 K233 | E230-W232 VanDerWaalsContact C-N 3.27Å; E230-W232 PolarHBondContact O-N 3.49Å; E230-K233 WeakPolarHBondContact OE1-CE 3.38Å; E230-K233 IonicContact OE1-NZ 3.48Å; E230-K233 PolarHBondContact OE1-NZ 3.38Å | ||
| 231 | Q | 42.7 | Very low | 39.1 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -79.8 | 0.9 | 178.3 | -92.1 | -169.2 | -37.6 | 0 | 0 | 115.7 | ||
| 232 | W | 41.8 | Very low | 38.9 | Very low | 253 Ų | 253 | 143.7 Ų | 143.7 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | trans | -109.3 | 62.6 | 173.9 | -59.9 | 92.1 | 0 | 0 | 0 | 111.1 | E230 | E230-W232 VanDerWaalsContact C-N 3.27Å; E230-W232 PolarHBondContact O-N 3.49Å | ||
| 233 | K | 38.2 | Very low | 38.9 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -105.7 | 106.7 | 160.1 | -68.7 | -168 | -175.3 | 165.7 | 0 | 108.1 | E230 Q235 | E230-K233 WeakPolarHBondContact OE1-CE 3.38Å; E230-K233 IonicContact OE1-NZ 3.48Å; E230-K233 PolarHBondContact OE1-NZ 3.38Å; K233-Q235 PolarHBondContact O-N 3.35Å | ||
| 234 | F | 38.3 | Very low | 38.8 | Very low | 202 Ų | 202 | 145.4 Ų | 145.4 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | trans | -50.7 | 117.2 | 166.2 | -127.5 | -100.2 | 0 | 0 | 0 | 107.8 | E236 | F234-E236 VanDerWaalsContact C-N 3.29Å; F234-E236 PolarHBondContact O-N 2.89Å | ||
| 235 | Q | 32.8 | Very low | 38.7 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 87.6 | 173.1 | -161.3 | 126.7 | 23.5 | 0 | 0 | 107.8 | K233 L237 | K233-Q235 PolarHBondContact O-N 3.35Å; Q235-L237 PolarHBondContact O-N 3.19Å | ||
| 236 | E | 44.1 | Very low | 39 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -66.8 | 101.4 | 159.2 | -86.3 | -163.8 | 138.6 | 0 | 0 | 108.5 | F234 | F234-E236 VanDerWaalsContact C-N 3.29Å; F234-E236 PolarHBondContact O-N 2.89Å | ||
| 237 | L | 42.3 | Very low | 38.8 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -148.9 | 118.6 | 148 | -98.9 | 124.4 | 0 | 0 | 0 | 109.8 | Q235 | Q235-L237 PolarHBondContact O-N 3.19Š| ||
| 238 | S | 37.3 | Very low | 39 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 65.4 | 88.2 | 163.7 | 53.9 | 0 | 0 | 0 | 0 | 118.2 | P240 | S238-P240 WeakPolarHBondContact O-CD 3.3Š| ||
| 239 | Q | 36.8 | Very low | 38.5 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -67.3 | 126.7 | 146.6 | -70.9 | 174.4 | 4.9 | 0 | 0 | 109.5 | ||||
| 240 | P | 39.7 | Very low | 38.6 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -80.8 | 109.6 | 141.5 | 26.4 | -14.2 | 0 | 0 | 0 | 106.9 | S238 S242 | S238-P240 WeakPolarHBondContact O-CD 3.3Å; P240-S242 PolarHBondContact O-N 3.25Å; P240-S242 PolarHBondContact O-OG 3.45Å | ||
| 241 | R | 37.9 | Very low | 38.3 | Very low | 199 Ų | 199 | 153.3 Ų | 153.3 | 75% | 0.751 | 79% | 0.788 | S | S | * | * | trans | -39.4 | 97.3 | 174.7 | -157.4 | 177.3 | -175.9 | -175.1 | 1.5 | 111.6 | H243 | R241-H243 WeakPolarHBondContact CD-NE2 3.49Å; R241-H243 PolarHBondContact NE-NE2 3.37Å; R241-H243 VanDerWaalsContact NE-NE2 3.13Å; R241-H243 PolarHBondContact O-N 2.95Å | ||
| 242 | S | 33.5 | Very low | 38.4 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -80 | 95.3 | 172.7 | -62.9 | 0 | 0 | 0 | 0 | 108.3 | P240 T244 | P240-S242 PolarHBondContact O-N 3.25Å; P240-S242 PolarHBondContact O-OG 3.45Å; S242-T244 VanDerWaalsContact C-N 3.32Å; S242-T244 PolarHBondContact O-N 2.91Å | ||
| 243 | H | 35.7 | Very low | 38.6 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 63% | 0.625 | 75% | 0.751 | S | S | * | * | trans | -81.3 | 83.2 | 163.7 | -74.3 | -82 | 0 | 0 | 0 | 108.4 | R241 S245 | R241-H243 WeakPolarHBondContact CD-NE2 3.49Å; R241-H243 PolarHBondContact NE-NE2 3.37Å; R241-H243 VanDerWaalsContact NE-NE2 3.13Å; R241-H243 PolarHBondContact O-N 2.95Å; H243-S245 PolarHBondContact O-N 3.5Å | ||
| 244 | T | 34.8 | Very low | 39.4 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -88 | 67.7 | 158.3 | 52.7 | 0 | 0 | 0 | 0 | 108.3 | S242 L246 | S242-T244 VanDerWaalsContact C-N 3.32Å; S242-T244 PolarHBondContact O-N 2.91Å; T244-L246 PolarHBondContact O-N 3.43Å | ||
| 245 | S | 38.6 | Very low | 40 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -69.8 | 101.8 | 163.1 | -117.5 | 0 | 0 | 0 | 0 | 107.1 | H243 K247 | H243-S245 PolarHBondContact O-N 3.5Å; S245-K247 PolarHBondContact O-N 3.27Å | ||
| 246 | L | 44 | Very low | 41 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 88% | 0.88 | 73% | 0.733 | S | S | * | * | trans | -59.6 | 91.5 | 160.5 | -73.8 | 168.2 | 0 | 0 | 0 | 107.8 | T244 | T244-L246 PolarHBondContact O-N 3.43Š| ||
| 247 | K | 33.9 | Very low | 41.7 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 80% | 0.8 | 72% | 0.716 | S | S | * | * | trans | -104.9 | 90.9 | 160.8 | -139.1 | 160.6 | -180 | 175 | 0 | 106 | S245 S249 | S245-K247 PolarHBondContact O-N 3.27Å; K247-S249 PolarHBondContact O-N 3.49Å | ||
| 248 | V | 41.9 | Very low | 42.9 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 74% | 0.739 | 71% | 0.706 | S | S | * | * | trans | -56.2 | 93 | 162.8 | 177.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 249 | S | 32.3 | Very low | 44.5 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -89.5 | 102.6 | 161.5 | -71 | 0 | 0 | 0 | 0 | 106.5 | K247 S251 | K247-S249 PolarHBondContact O-N 3.49Å; S249-S251 PolarHBondContact O-N 2.84Å; S249-S251 VanDerWaalsContact O-N 3.16Å | ||
| 250 | N | 47 | Very low | 46 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | -47.7 | 117 | 162.4 | -87.7 | -8.3 | 0 | 0 | 0 | 109.3 | ||||
| 251 | S | 30.7 | Very low | 47.7 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | trans | -127.9 | 122.3 | 158.8 | -171.4 | 0 | 0 | 0 | 0 | 107.5 | S249 | S249-S251 PolarHBondContact O-N 2.84Å; S249-S251 VanDerWaalsContact O-N 3.16Å | ||
| 252 | P | 44.9 | Very low | 49.7 | Very low | 101 Ų | 101 | 118.4 Ų | 118.4 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | trans | -80.6 | 131.2 | -179.7 | 31.6 | -28.8 | 0 | 0 | 0 | 111 | ||||
| 253 | E | 46.8 | Very low | 52.2 | Low | 90 Ų | 90 | 120.7 Ų | 120.7 | 42% | 0.421 | 65% | 0.653 | S | S | . | * | trans | 77 | 100 | 137.1 | -61.9 | 164.5 | 149.2 | 0 | 0 | 120.3 | K256 | E253-K256 HydrophobicContact CB-CG 4.47Å; E253-K256 IonicContact OE1-NZ 3.53Å; E253-K256 PolarHBondContact OE1-NZ 3.04Å; E253-K256 WeakPolarHBondContact OE2-CD 3.47Å; E253-K256 WeakPolarHBondContact OE2-CE 3.4Å; E253-K256 IonicContact OE2-NZ 3.44Å; E253-K256 PolarHBondContact OE2-NZ 3.28Å | ||
| 254 | P | 53.8 | Low | 54.6 | Low | 110 Ų | 110 | 120.3 Ų | 120.3 | 71% | 0.714 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -75.7 | -6.6 | 149.1 | 30.5 | -31.7 | 0 | 0 | 0 | 112.9 | ||
| 255 | Q | 52.2 | Low | 57.1 | Low | 152 Ų | 152 | 118.1 Ų | 118.1 | 71% | 0.71 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.2 | -31.5 | -176 | -69.4 | -177.7 | -46.3 | 0 | 0 | 113.7 | E259 | Q255-E259 PolarHBondContact O-N 3.49Å; Q255-E259 VanDerWaalsContact O-N 3.08Å |
| 256 | K | 53.8 | Low | 59.4 | Low | 123 Ų | 123 | 117.9 Ų | 117.9 | 54% | 0.535 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.3 | -33.4 | 177.8 | -76.4 | -175.9 | -179.6 | 148.9 | 0 | 113 | E253 E259 Q260 | E253-K256 HydrophobicContact CB-CG 4.47Å; E253-K256 IonicContact OE1-NZ 3.53Å; E253-K256 PolarHBondContact OE1-NZ 3.04Å; E253-K256 WeakPolarHBondContact OE2-CD 3.47Å; E253-K256 WeakPolarHBondContact OE2-CE 3.4Å; E253-K256 IonicContact OE2-NZ 3.44Å; E253-K256 PolarHBondContact OE2-NZ 3.28Å; K256-E259 PolarHBondContact O-N 2.99Å; K256-Q260 VanDerWaalsContact O-CB 3.24Å; K256-Q260 WeakPolarHBondContact O-CB 3.42Å; K256-Q260 PolarHBondContact O-N 3.24Å |
| 257 | A | 59 | Low | 61.4 | Low | 60 Ų | 60 | 115.5 Ų | 115.5 | 50% | 0.496 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.1 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q260 E261 | A257-Q260 PolarHBondContact O-N 3.09Å; A257-E261 WeakPolarHBondContact O-CB 3.45Å; A257-E261 PolarHBondContact O-N 3.4Å |
| 258 | V | 66.5 | Low | 63.7 | Low | 88 Ų | 88 | 111.4 Ų | 111.4 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.5 | -40.3 | 177.3 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | Q260 E261 V262 | V258-Q260 VanDerWaalsContact C-N 3.31Å; V258-Q260 PolarHBondContact O-N 3.49Å; V258-E261 PolarHBondContact O-N 3.46Å; V258-V262 HydrophobicContact CG1-CG2 4.44Å; V258-V262 WeakPolarHBondContact O-CB 3.37Å; V258-V262 VanDerWaalsContact O-CG2 3.24Å; V258-V262 WeakPolarHBondContact O-CG2 3.43Å; V258-V262 PolarHBondContact O-N 2.81Å |
| 259 | E | 70.4 | Confident | 65.6 | Low | 101 Ų | 101 | 110.1 Ų | 110.1 | 47% | 0.472 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.6 | -34.7 | 177.1 | -158.1 | -171 | 152.6 | 0 | 0 | 112.1 | Q255 K256 R263 | Q255-E259 PolarHBondContact O-N 3.49Å; Q255-E259 VanDerWaalsContact O-N 3.08Å; K256-E259 PolarHBondContact O-N 2.99Å; E259-R263 WeakPolarHBondContact O-CB 3.45Å; E259-R263 VanDerWaalsContact O-CG 3.28Å; E259-R263 WeakPolarHBondContact O-CG 3.44Å; E259-R263 PolarHBondContact O-N 2.9Å; E259-R263 IonicContact OE1-CZ 2.72Å; E259-R263 IonicContact OE1-NE 2.83Å; E259-R263 PolarHBondContact OE1-NE 3.18Å; E259-R263 IonicContact OE1-NH2 2.76Å; E259-R263 PolarHBondContact OE1-NH2 3.38Å |
| 260 | Q | 69.3 | Low | 68 | Low | 137 Ų | 137 | 109.7 Ų | 109.7 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.7 | -35.3 | 178.3 | -159.8 | 163.8 | 8.3 | 0 | 0 | 111.9 | K256 A257 V258 M264 | K256-Q260 VanDerWaalsContact O-CB 3.24Å; K256-Q260 WeakPolarHBondContact O-CB 3.42Å; K256-Q260 PolarHBondContact O-N 3.24Å; A257-Q260 PolarHBondContact O-N 3.09Å; V258-Q260 VanDerWaalsContact C-N 3.31Å; V258-Q260 PolarHBondContact O-N 3.49Å; Q260-M264 WeakPolarHBondContact O-CB 3.46Å; Q260-M264 PolarHBondContact O-N 3.17Å |
| 261 | E | 75.7 | Confident | 69.2 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 59% | 0.593 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.9 | -42.3 | 174.5 | -161.9 | 161 | -165.8 | 0 | 0 | 111.6 | A257 V258 R263 M264 V265 | A257-E261 WeakPolarHBondContact O-CB 3.45Å; A257-E261 PolarHBondContact O-N 3.4Å; V258-E261 PolarHBondContact O-N 3.46Å; E261-R263 PolarHBondContact O-N 2.92Å; E261-M264 PolarHBondContact O-N 3.48Å; E261-V265 WeakPolarHBondContact O-CG2 3.35Å; E261-V265 PolarHBondContact O-N 3.36Å |
| 262 | V | 79.9 | Confident | 71.3 | Confident | 80 Ų | 80 | 112.6 Ų | 112.6 | 49% | 0.485 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.4 | -40.6 | 174.1 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | V258 M264 V265 L266 | V258-V262 HydrophobicContact CG1-CG2 4.44Å; V258-V262 WeakPolarHBondContact O-CB 3.37Å; V258-V262 VanDerWaalsContact O-CG2 3.24Å; V258-V262 WeakPolarHBondContact O-CG2 3.43Å; V258-V262 PolarHBondContact O-N 2.81Å; V262-M264 VanDerWaalsContact C-N 3.35Å; V262-V265 PolarHBondContact O-N 2.92Å; V262-L266 HydrophobicContact CG1-CD1 4.01Å; V262-L266 WeakPolarHBondContact O-CB 3.4Å; V262-L266 PolarHBondContact O-N 3.05Å |
| 263 | R | 85.9 | Confident | 72.5 | Confident | 156 Ų | 156 | 113 Ų | 113 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.2 | -38.5 | 174.4 | -77.6 | 177.5 | -173.4 | -130.7 | 5.6 | 112.4 | E259 E261 L266 L267 | E259-R263 WeakPolarHBondContact O-CB 3.45Å; E259-R263 VanDerWaalsContact O-CG 3.28Å; E259-R263 WeakPolarHBondContact O-CG 3.44Å; E259-R263 PolarHBondContact O-N 2.9Å; E259-R263 IonicContact OE1-CZ 2.72Å; E259-R263 IonicContact OE1-NE 2.83Å; E259-R263 PolarHBondContact OE1-NE 3.18Å; E259-R263 IonicContact OE1-NH2 2.76Å; E259-R263 PolarHBondContact OE1-NH2 3.38Å; E261-R263 PolarHBondContact O-N 2.92Å; R263-L266 PolarHBondContact O-N 3.06Å; R263-L267 WeakPolarHBondContact O-CB 3.37Å; R263-L267 PolarHBondContact O-N 3.44Å |
| 264 | M | 85.5 | Confident | 72.6 | Confident | 127 Ų | 127 | 121 Ų | 121 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67 | -41.3 | 178.4 | -158.7 | -171.6 | -35.6 | 0 | 0 | 111.4 | Q260 E261 V262 L267 N268 | Q260-M264 WeakPolarHBondContact O-CB 3.46Å; Q260-M264 PolarHBondContact O-N 3.17Å; E261-M264 PolarHBondContact O-N 3.48Å; V262-M264 VanDerWaalsContact C-N 3.35Å; M264-L267 PolarHBondContact O-N 2.94Å; M264-N268 WeakPolarHBondContact O-CB 3.37Å; M264-N268 PolarHBondContact O-N 2.91Å |
| 265 | V | 87.7 | Confident | 73.6 | Confident | 80 Ų | 80 | 121.6 Ų | 121.6 | 49% | 0.485 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.6 | -43.3 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | E261 V262 N268 I269 | E261-V265 WeakPolarHBondContact O-CG2 3.35Å; E261-V265 PolarHBondContact O-N 3.36Å; V262-V265 PolarHBondContact O-N 2.92Å; V265-N268 PolarHBondContact O-N 3.34Å; V265-I269 HydrophobicContact CG1-CD1 3.81Å; V265-I269 VanDerWaalsContact O-CG1 3.27Å; V265-I269 WeakPolarHBondContact O-CG1 3.48Å; V265-I269 PolarHBondContact O-N 2.76Å |
| 266 | L | 86.8 | Confident | 74.7 | Confident | 98 Ų | 98 | 119.9 Ų | 119.9 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.6 | -41.6 | 177.1 | -97.6 | 149.9 | 0 | 0 | 0 | 113.1 | V262 R263 N268 I269 L270 | V262-L266 HydrophobicContact CG1-CD1 4.01Å; V262-L266 WeakPolarHBondContact O-CB 3.4Å; V262-L266 PolarHBondContact O-N 3.05Å; R263-L266 PolarHBondContact O-N 3.06Å; L266-N268 VanDerWaalsContact C-N 3.35Å; L266-I269 PolarHBondContact O-N 2.64Å; L266-L270 WeakPolarHBondContact O-CB 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.06Å |
| 267 | L | 85.7 | Confident | 75.9 | Confident | 119 Ų | 119 | 119.8 Ų | 119.8 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.9 | -40.3 | 175.2 | -85.7 | 158.2 | 0 | 0 | 0 | 112 | R263 M264 I269 L270 Q271 | R263-L267 WeakPolarHBondContact O-CB 3.37Å; R263-L267 PolarHBondContact O-N 3.44Å; M264-L267 PolarHBondContact O-N 2.94Å; L267-I269 VanDerWaalsContact C-N 3.34Å; L267-I269 PolarHBondContact O-N 3.37Å; L267-L270 PolarHBondContact O-N 2.86Å; L267-Q271 WeakPolarHBondContact O-CB 3.16Å; L267-Q271 PolarHBondContact O-N 3.44Å |
| 268 | N | 81.7 | Confident | 76.9 | Confident | 97 Ų | 97 | 123.3 Ų | 123.3 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.7 | -30.8 | 179.9 | -155 | 4.8 | 0 | 0 | 0 | 112.4 | M264 V265 L266 | M264-N268 WeakPolarHBondContact O-CB 3.37Å; M264-N268 PolarHBondContact O-N 2.91Å; V265-N268 PolarHBondContact O-N 3.34Å; L266-N268 VanDerWaalsContact C-N 3.35Å |
| 269 | I | 83.3 | Confident | 77.5 | Confident | 96 Ų | 96 | 125.5 Ų | 125.5 | 49% | 0.492 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.6 | -43.6 | 172.3 | -68 | 166.2 | 0 | 0 | 0 | 110.5 | V265 L266 L267 Q271 K272 V273 | V265-I269 HydrophobicContact CG1-CD1 3.81Å; V265-I269 VanDerWaalsContact O-CG1 3.27Å; V265-I269 WeakPolarHBondContact O-CG1 3.48Å; V265-I269 PolarHBondContact O-N 2.76Å; L266-I269 PolarHBondContact O-N 2.64Å; L267-I269 VanDerWaalsContact C-N 3.34Å; L267-I269 PolarHBondContact O-N 3.37Å; I269-Q271 VanDerWaalsContact C-N 3.29Å; I269-Q271 PolarHBondContact O-N 3.34Å; I269-K272 PolarHBondContact O-N 2.78Å; I269-K272 VanDerWaalsContact O-N 3.12Å; I269-V273 WeakPolarHBondContact O-CG2 3.44Å; I269-V273 PolarHBondContact O-N 3.42Å |
| 270 | L | 81.7 | Confident | 78 | Confident | 95 Ų | 95 | 127.1 Ų | 127.1 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.4 | -32.3 | 179.7 | -73.8 | 168.4 | 0 | 0 | 0 | 112.8 | L266 L267 K272 V273 | L266-L270 WeakPolarHBondContact O-CB 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.06Å; L267-L270 PolarHBondContact O-N 2.86Å; L270-K272 VanDerWaalsContact C-N 3.25Å; L270-K272 PolarHBondContact O-N 2.95Å; L270-V273 PolarHBondContact O-N 3.03Å |
| 271 | Q | 73.1 | Confident | 78.6 | Confident | 156 Ų | 156 | 126.4 Ų | 126.4 | 73% | 0.729 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -13 | 175.7 | -168.3 | 168.6 | -10.9 | 0 | 0 | 113.7 | L267 I269 | L267-Q271 WeakPolarHBondContact O-CB 3.16Å; L267-Q271 PolarHBondContact O-N 3.44Å; I269-Q271 VanDerWaalsContact C-N 3.29Å; I269-Q271 PolarHBondContact O-N 3.34Å |
| 272 | K | 73.8 | Confident | 78.8 | Confident | 172 Ų | 172 | 126.4 Ų | 126.4 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -8.2 | 173.7 | -75 | -175.6 | 176.1 | -172.5 | 0 | 113.7 | I269 L270 | I269-K272 PolarHBondContact O-N 2.78Å; I269-K272 VanDerWaalsContact O-N 3.12Å; L270-K272 VanDerWaalsContact C-N 3.25Å; L270-K272 PolarHBondContact O-N 2.95Å |
| 273 | V | 70.8 | Confident | 78.7 | Confident | 108 Ų | 108 | 130.3 Ų | 130.3 | 66% | 0.655 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -6.9 | -174.6 | 175.4 | 0 | 0 | 0 | 0 | 112.3 | I269 L270 | I269-V273 WeakPolarHBondContact O-CG2 3.44Å; I269-V273 PolarHBondContact O-N 3.42Å; L270-V273 PolarHBondContact O-N 3.03Å |
| 274 | Y | 48.9 | Very low | 78.1 | Confident | 259 Ų | 259 | 127.9 Ų | 127.9 | 100% | 1.016 | 63% | 0.627 | S | S | * | * | trans | -119 | 0 | 167.1 | -77.8 | -85.2 | 0 | 0 | 0 | 109.6 |
Retrieved 274 of 274 residues in 132 ms
(Link to these results)