| 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 | 38.1 | Very low | 39.6 | Very low | 219 Ų | 219 | 144.6 Ų | 144.6 | 100% | 1.079 | 85% | 0.853 | S | S | * | * | 0 | 56.5 | 0 | -62.3 | 175.6 | 177.3 | 0 | 0 | 108 | |||||
| 2 | D | 37.7 | Very low | 39.5 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | 64.2 | 112.7 | 78.5 | -52.7 | -58.1 | 0 | 0 | 0 | 112 | |||||
| 3 | T | 43.3 | Very low | 39.3 | Very low | 141 Ų | 141 | 135 Ų | 135 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -139.9 | 87.9 | 164.9 | -54.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 4 | E | 39.2 | Very low | 39.7 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -61 | 154.9 | 158.7 | -55.3 | 169.1 | 102.2 | 0 | 0 | 108.5 | ||||
| 5 | G | 31.9 | Very low | 39.9 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | cis | 174.6 | 137.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q7 | G5-Q7 PolarHBondContact O-N 3.43Š| ||
| 6 | S | 37.6 | Very low | 40.7 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -97.5 | 82.7 | 175.1 | -66.3 | 0 | 0 | 0 | 0 | 109.6 | S8 | S6-S8 PolarHBondContact O-N 3.24Å; S6-S8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | Q | 37.8 | Very low | 41.4 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -62.5 | 113.8 | 167.5 | -71.7 | -179.3 | -8.8 | 0 | 0 | 108.6 | G5 S9 | G5-Q7 PolarHBondContact O-N 3.43Å; Q7-S9 PolarHBondContact O-N 2.7Å | ||
| 8 | S | 40.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 88% | 0.881 | 75% | 0.754 | S | S | * | * | trans | -70.7 | 75.8 | 166.5 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | S6 L10 | S6-S8 PolarHBondContact O-N 3.24Å; S6-S8 VanDerWaalsContact O-N 3.15Å; S8-L10 PolarHBondContact O-N 2.71Å | ||
| 9 | S | 44.4 | Very low | 43.8 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -65.3 | 122.6 | 161.8 | 48.1 | 0 | 0 | 0 | 0 | 108.1 | Q7 | Q7-S9 PolarHBondContact O-N 2.7Š| ||
| 10 | L | 38.1 | Very low | 45.8 | Very low | 169 Ų | 169 | 117.6 Ų | 117.6 | 89% | 0.885 | 71% | 0.708 | S | S | * | * | trans | -174.6 | 91.6 | 143.9 | -101 | 167 | 0 | 0 | 0 | 108.5 | S8 A12 | S8-L10 PolarHBondContact O-N 2.71Å; L10-A12 PolarHBondContact O-N 3.25Å | ||
| 11 | S | 46.8 | Very low | 47.8 | Very low | 122 Ų | 122 | 114.2 Ų | 114.2 | 85% | 0.853 | 69% | 0.685 | S | S | * | * | trans | -66.3 | 105.2 | 160.9 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 12 | A | 38.2 | Very low | 50.3 | Low | 80 Ų | 80 | 103.8 Ų | 103.8 | 66% | 0.661 | 63% | 0.633 | S | S | * | * | trans | -96.9 | 123 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | L10 D14 | L10-A12 PolarHBondContact O-N 3.25Å; A12-D14 PolarHBondContact O-N 2.91Å | ||
| 13 | A | 37.3 | Very low | 52.8 | Low | 84 Ų | 84 | 99.6 Ų | 99.6 | 69% | 0.694 | 61% | 0.608 | S | S | * | * | trans | -56.9 | 139.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S15 | A13-S15 PolarHBondContact O-N 3.35Š| ||
| 14 | D | 44.5 | Very low | 55.1 | Low | 132 Ų | 132 | 92.9 Ų | 92.9 | 71% | 0.706 | 57% | 0.567 | S | S | * | * | trans | -70.2 | 71.8 | 177.4 | -168.1 | 28 | 0 | 0 | 0 | 109.4 | A12 P16 | A12-D14 PolarHBondContact O-N 2.91Å; D14-P16 WeakPolarHBondContact O-CD 3.27Å | ||
| 15 | S | 43.3 | Very low | 57.6 | Low | 64 Ų | 64 | 84.4 Ų | 84.4 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | trans | -64.2 | 115.6 | 175.9 | -69.3 | 0 | 0 | 0 | 0 | 107.5 | A13 H17 | A13-S15 PolarHBondContact O-N 3.35Å; S15-H17 PolarHBondContact O-N 3.39Å | ||
| 16 | P | 53.1 | Low | 60.4 | Low | 108 Ų | 108 | 82.6 Ų | 82.6 | 70% | 0.701 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -71.9 | 12.3 | -169.5 | 29.2 | -36.3 | 0 | 0 | 0 | 114 | D14 | D14-P16 WeakPolarHBondContact O-CD 3.27Š|
| 17 | H | 51.6 | Low | 62.9 | Low | 142 Ų | 142 | 76.2 Ų | 76.2 | 66% | 0.657 | 47% | 0.466 | S | S | * | . | trans | -149.9 | 62.6 | -175.1 | -157.2 | 82.4 | 0 | 0 | 0 | 111.9 | S15 P19 | S15-H17 PolarHBondContact O-N 3.39Å; H17-P19 WeakPolarHBondContact O-CD 3.31Å | ||
| 18 | D | 63.9 | Low | 65.5 | Low | 58 Ų | 58 | 68.8 Ų | 68.8 | 31% | 0.31 | 43% | 0.434 | S | S | . | . | trans | -85.4 | 99.3 | 161.5 | -80 | -36.7 | 0 | 0 | 0 | 109.1 | C20 K21 | D18-C20 PolarHBondContact O-N 3.26Å; D18-K21 HydrophobicContact CB-CB 4.33Å; D18-K21 WeakPolarHBondContact O-CB 3.04Å; D18-K21 PolarHBondContact O-N 3.03Å | ||
| 19 | P | 65.8 | Low | 67.8 | Low | 71 Ų | 71 | 71.1 Ų | 71.1 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25 | 178 | 27.4 | -36 | 0 | 0 | 0 | 112.5 | H17 K21 Q71 | H17-P19 WeakPolarHBondContact O-CD 3.31Å; P19-K21 PolarHBondContact O-N 3.23Å; P19-K21 VanDerWaalsContact O-N 3.09Å; P19-Q71 PolarHBondContact O-OE1 2.9Å |
| 20 | C | 82.3 | Confident | 69.9 | Low | 21 Ų | 21 | 74.3 Ų | 74.3 | 14% | 0.142 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 3.8 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 114.3 | D18 F68 | D18-C20 PolarHBondContact O-N 3.26Å; C20-F68 HydrophobicContact CB-CB 4.3Å; C20-F68 WeakPolarHBondContact CB-O 3.4Å; C20-F68 PolarHBondContact O-N 3.42Å |
| 21 | K | 88.5 | Confident | 72.3 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.9 | -176.9 | -161.7 | 164.6 | -164.3 | 148 | 0 | 111.9 | D18 P19 E48 T67 A95 | D18-K21 HydrophobicContact CB-CB 4.33Å; D18-K21 WeakPolarHBondContact O-CB 3.04Å; D18-K21 PolarHBondContact O-N 3.03Å; P19-K21 PolarHBondContact O-N 3.23Å; P19-K21 VanDerWaalsContact O-N 3.09Å; K21-E48 IonicContact NZ-OE2 3.24Å; K21-T67 HydrophobicContact CB-CG2 4.46Å; K21-A95 HydrophobicContact CB-CB 4.11Å; K21-A95 HydrophobicContact CG-CB 3.96Å; K21-A95 WeakPolarHBondContact O-CB 3.46Å; K21-A95 PolarHBondContact O-N 3.49Å |
| 22 | M | 89.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.2 | 176.5 | -59.7 | -164.2 | 81.1 | 0 | 0 | 111.5 | I24 F65 V66 F68 V74 V77 L78 P92 K93 | M22-I24 HydrophobicContact CB-CD1 3.93Å; M22-F65 VanDerWaalsContact O-CA 3.27Å; M22-F65 WeakPolarHBondContact O-CA 3.37Å; M22-V66 PolarHBondContact N-O 3.19Å; M22-V66 PolarHBondContact O-N 3.06Å; M22-F68 HydrophobicContact CG-CD2 4.42Å; M22-F68 HydrophobicContact CG-CE2 4.29Å; M22-F68 HydrophobicContact SD-CD2 4.34Å; M22-F68 HydrophobicContact SD-CE2 3.77Å; M22-V74 HydrophobicContact CE-CG1 4.01Å; M22-V74 HydrophobicContact CG-CB 4.41Å; M22-V74 HydrophobicContact CG-CG1 3.97Å; M22-V74 HydrophobicContact CG-CG2 3.91Å; M22-V74 HydrophobicContact SD-CB 4.11Å; M22-V74 HydrophobicContact SD-CG1 3.8Å; M22-V74 HydrophobicContact SD-CG2 4.1Å; M22-V77 HydrophobicContact CE-CB 4.17Å; M22-V77 HydrophobicContact CE-CG1 3.68Å; M22-V77 HydrophobicContact SD-CB 3.93Å; M22-V77 HydrophobicContact SD-CG1 3.79Å; M22-V77 HydrophobicContact SD-CG2 4.4Å; M22-L78 HydrophobicContact CE-CD2 3.68Å; M22-L78 HydrophobicContact CE-CG 3.87Å; M22-P92 HydrophobicContact CE-CB 4.07Å; M22-K93 CarbonylContact C-O 3.57Å; M22-K93 WeakPolarHBondContact CA-O 3.38Å |
| 23 | F | 91.4 | Very high | 76.8 | Confident | 60 Ų | 60 | 63 Ų | 63 | 26% | 0.263 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.7 | 166.4 | 167.6 | -92 | 0 | 0 | 0 | 108.4 | F63 F65 P92 K93 A95 | F23-F63 HydrophobicContact CD2-CD2 4.34Å; F23-F63 HydrophobicContact CE2-CB 3.94Å; F23-F63 AromaticContact CE2-CD2 3.57Å; F23-F63 HydrophobicContact CE2-CD2 3.57Å; F23-F63 HydrophobicContact CE2-CE2 4.32Å; F23-F63 AromaticContact CE2-CG 4Å; F23-F63 HydrophobicContact CE2-CG 4Å; F23-F63 HydrophobicContact CZ-CB 3.97Å; F23-F63 HydrophobicContact CZ-CD2 4.38Å; F23-F63 HydrophobicContact CZ-CG 4.37Å; F23-F65 HydrophobicContact CB-CD1 4.26Å; F23-F65 HydrophobicContact CB-CE1 4.06Å; F23-F65 HydrophobicContact CD2-CD1 4.43Å; F23-F65 AromaticContact CD2-CE1 3.79Å; F23-F65 HydrophobicContact CD2-CE1 3.79Å; F23-F65 AromaticContact CD2-CZ 3.97Å; F23-F65 HydrophobicContact CD2-CZ 3.97Å; F23-F65 HydrophobicContact CG-CE1 4.44Å; F23-P92 WeakPolarHBondContact O-CA 3.37Å; F23-K93 PolarHBondContact N-O 3.19Å; F23-K93 PolarHBondContact O-N 2.95Å; F23-A95 HydrophobicContact CB-CB 4.41Å |
| 24 | I | 91.7 | Very high | 79.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 104.2 | 177.8 | -38.7 | -58.5 | 0 | 0 | 0 | 108.8 | M22 L27 L36 F40 F63 G64 V66 I90 P92 | M22-I24 HydrophobicContact CB-CD1 3.93Å; I24-L27 HydrophobicContact CB-CD2 4.35Å; I24-L27 HydrophobicContact CG2-CD2 3.63Å; I24-L27 HydrophobicContact CG2-CG 4.41Å; I24-L36 HydrophobicContact CG2-CD1 4.34Å; I24-F40 HydrophobicContact CD1-CE1 4.16Å; I24-F40 HydrophobicContact CD1-CE2 3.83Å; I24-F40 HydrophobicContact CD1-CZ 3.57Å; I24-F40 HydrophobicContact CG1-CE2 3.85Å; I24-F40 HydrophobicContact CG1-CZ 4.07Å; I24-F40 HydrophobicContact CG2-CE2 3.93Å; I24-F40 HydrophobicContact CG2-CZ 3.91Å; I24-F63 CarbonylContact O-C 3.57Å; I24-F63 WeakPolarHBondContact O-CA 3.26Å; I24-F63 WeakPolarHBondContact O-CB 3.21Å; I24-G64 PolarHBondContact N-O 3.05Å; I24-G64 PolarHBondContact O-N 3.35Å; I24-V66 HydrophobicContact CD1-CB 4.33Å; I24-V66 HydrophobicContact CD1-CG2 4.18Å; I24-V66 HydrophobicContact CG1-CB 4.3Å; I24-V66 HydrophobicContact CG1-CG2 3.71Å; I24-I90 HydrophobicContact CG2-CB 4.2Å; I24-I90 HydrophobicContact CG2-CD1 4Å; I24-I90 HydrophobicContact CG2-CG1 4.36Å; I24-P92 HydrophobicContact CD1-CB 3.81Å |
| 25 | G | 91.3 | Very high | 81.6 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 164.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L27 I90 D91 | G25-L27 PolarHBondContact O-N 3.07Å; G25-I90 WeakPolarHBondContact O-CA 3.3Å; G25-D91 PolarHBondContact N-O 3.4Å; G25-D91 PolarHBondContact O-N 2.92Å |
| 26 | G | 90.1 | Very high | 83.8 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 76 | 13.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116 | G62 K88 | G26-G62 PolarHBondContact N-O 2.97Å; G26-K88 VanDerWaalsContact C-NZ 3.27Å; G26-K88 PolarHBondContact O-NZ 3.23Å |
| 27 | L | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -59.3 | 156.9 | 176.2 | -55.7 | -174.7 | 0 | 0 | 0 | 112.3 | I24 G25 T31 L36 V51 G62 L85 K88 I90 | I24-L27 HydrophobicContact CB-CD2 4.35Å; I24-L27 HydrophobicContact CG2-CD2 3.63Å; I24-L27 HydrophobicContact CG2-CG 4.41Å; G25-L27 PolarHBondContact O-N 3.07Å; L27-T31 HydrophobicContact CD1-CG2 4.48Å; L27-L36 HydrophobicContact CD1-CD1 3.95Å; L27-L36 HydrophobicContact CD1-CD2 4.11Å; L27-L36 HydrophobicContact CD2-CD1 3.55Å; L27-L36 HydrophobicContact CG-CD1 4.42Å; L27-V51 HydrophobicContact CD1-CG2 4.39Å; L27-G62 PolarHBondContact N-O 2.58Å; L27-L85 HydrophobicContact CD2-CD2 4.45Å; L27-K88 PolarHBondContact O-NZ 2.94Å; L27-I90 HydrophobicContact CD2-CB 4.25Å; L27-I90 HydrophobicContact CD2-CG2 3.74Å | ||
| 28 | S | 91 | Very high | 87.6 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | trans | -72.4 | 157.1 | 169 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | Q30 T31 | S28-Q30 PolarHBondContact O-N 3.21Å; S28-T31 WeakPolarHBondContact CA-OG1 3.36Å; S28-T31 VanDerWaalsContact CB-OG1 3.25Å; S28-T31 WeakPolarHBondContact CB-OG1 3.41Å; S28-T31 PolarHBondContact N-OG1 2.93Å; S28-T31 WeakPolarHBondContact O-CB 3.31Å; S28-T31 PolarHBondContact O-N 3.25Å; S28-T31 PolarHBondContact O-OG1 3.1Å | ||
| 29 | W | 89.3 | Confident | 88.8 | Confident | 176 Ų | 176 | 53.6 Ų | 53.6 | 67% | 0.667 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -68.5 | -21.3 | 173.7 | -61.2 | -22.8 | 0 | 0 | 0 | 112.3 | S60 | W29-S60 WeakPolarHBondContact O-CB 3.25Š|
| 30 | Q | 87.9 | Confident | 90 | Very high | 166 Ų | 166 | 50.2 Ų | 50.2 | 78% | 0.776 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -87.6 | -19.4 | 177.8 | -59.9 | -179.3 | 10.1 | 0 | 0 | 112.5 | S28 T32 | S28-Q30 PolarHBondContact O-N 3.21Å; Q30-T32 PolarHBondContact O-N 3.03Å |
| 31 | T | 88.1 | Confident | 90.4 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | trans | -55.6 | 127.3 | -179.2 | -51.1 | 0 | 0 | 0 | 0 | 111.1 | L27 S28 L36 R53 L85 D86 | L27-T31 HydrophobicContact CD1-CG2 4.48Å; S28-T31 WeakPolarHBondContact CA-OG1 3.36Å; S28-T31 VanDerWaalsContact CB-OG1 3.25Å; S28-T31 WeakPolarHBondContact CB-OG1 3.41Å; S28-T31 PolarHBondContact N-OG1 2.93Å; S28-T31 WeakPolarHBondContact O-CB 3.31Å; S28-T31 PolarHBondContact O-N 3.25Å; S28-T31 PolarHBondContact O-OG1 3.1Å; T31-L36 HydrophobicContact CG2-CB 4.43Å; T31-R53 PolarHBondContact O-NH2 2.85Å; T31-L85 HydrophobicContact CG2-CD2 3.64Å; T31-L85 HydrophobicContact CG2-CG 4.44Å; T31-D86 WeakPolarHBondContact CA-OD2 3.2Å; T31-D86 VanDerWaalsContact CB-OD2 3.3Å; T31-D86 WeakPolarHBondContact CB-OD2 3.37Å; T31-D86 PolarHBondContact OG1-OD2 3.17Å | ||
| 32 | T | 90.4 | Very high | 90.4 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 32% | 0.319 | 29% | 0.288 | S | S | . | . | trans | -99.2 | 170.6 | 176 | 80 | 0 | 0 | 0 | 0 | 111.7 | Q30 E34 G35 L36 | Q30-T32 PolarHBondContact O-N 3.03Å; T32-E34 VanDerWaalsContact C-N 3.26Å; T32-E34 WeakPolarHBondContact CB-OE2 3.28Å; T32-E34 PolarHBondContact O-N 3.4Å; T32-E34 PolarHBondContact OG1-N 3.22Å; T32-E34 PolarHBondContact OG1-OE2 3.14Å; T32-G35 PolarHBondContact OG1-N 2.91Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 PolarHBondContact O-N 3.24Å; T32-L36 VanDerWaalsContact O-N 3.15Å | ||
| 33 | Q | 90.6 | Very high | 90.4 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 178.8 | 177.6 | 171.5 | -50.5 | 0 | 0 | 111.1 | K37 C49 V51 | Q33-K37 WeakPolarHBondContact O-CB 3.39Å; Q33-K37 PolarHBondContact O-N 3.37Å; Q33-C49 HydrophobicContact CG-CB 4.23Å; Q33-C49 WeakPolarHBondContact CG-O 3.5Å; Q33-C49 WeakPolarHBondContact CG-SG 3.47Å; Q33-C49 PolarHBondContact NE2-O 3.35Å; Q33-C49 VanDerWaalsContact NE2-O 3.16Å; Q33-C49 PolarHBondContact OE1-O 2.68Å; Q33-V51 HydrophobicContact CB-CG2 4.27Å |
| 34 | E | 91.1 | Very high | 90.2 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.2 | -53.1 | -180 | -53.8 | 69 | -145.4 | 0 | 0 | 110.3 | T32 L36 K37 E38 | T32-E34 VanDerWaalsContact C-N 3.26Å; T32-E34 WeakPolarHBondContact CB-OE2 3.28Å; T32-E34 PolarHBondContact O-N 3.4Å; T32-E34 PolarHBondContact OG1-N 3.22Å; T32-E34 PolarHBondContact OG1-OE2 3.14Å; E34-L36 VanDerWaalsContact C-N 3.27Å; E34-L36 PolarHBondContact O-N 3.38Å; E34-K37 WeakPolarHBondContact O-CA 3.5Å; E34-K37 WeakPolarHBondContact O-CB 3.38Å; E34-K37 PolarHBondContact O-N 2.9Å; E34-E38 WeakPolarHBondContact O-CG 3.47Å; E34-E38 PolarHBondContact O-N 3.18Å |
| 35 | G | 90.1 | Very high | 90.2 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 24% | 0.237 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -33.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T32 Y39 | T32-G35 PolarHBondContact OG1-N 2.91Å; G35-Y39 WeakPolarHBondContact O-CB 3.46Å; G35-Y39 PolarHBondContact O-N 3.38Å; G35-Y39 VanDerWaalsContact O-N 3.16Å |
| 36 | L | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 171 | -167.7 | 71.2 | 0 | 0 | 0 | 111.3 | I24 L27 T31 T32 E34 Y39 F40 V51 V66 L85 | I24-L36 HydrophobicContact CG2-CD1 4.34Å; L27-L36 HydrophobicContact CD1-CD1 3.95Å; L27-L36 HydrophobicContact CD1-CD2 4.11Å; L27-L36 HydrophobicContact CD2-CD1 3.55Å; L27-L36 HydrophobicContact CG-CD1 4.42Å; T31-L36 HydrophobicContact CG2-CB 4.43Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 PolarHBondContact O-N 3.24Å; T32-L36 VanDerWaalsContact O-N 3.15Å; E34-L36 VanDerWaalsContact C-N 3.27Å; E34-L36 PolarHBondContact O-N 3.38Å; L36-Y39 PolarHBondContact O-N 3.5Å; L36-F40 HydrophobicContact CD1-CD2 4Å; L36-F40 HydrophobicContact CD1-CE2 3.64Å; L36-F40 HydrophobicContact CG-CD2 4.08Å; L36-F40 HydrophobicContact CG-CE2 4.19Å; L36-F40 VanDerWaalsContact O-CD2 3.3Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; L36-F40 PolarHBondContact O-N 2.96Å; L36-F40 VanDerWaalsContact O-N 3.14Å; L36-V51 HydrophobicContact CB-CG2 4.49Å; L36-V51 HydrophobicContact CD2-CG2 3.87Å; L36-V66 HydrophobicContact CD2-CG2 3.77Å; L36-V66 HydrophobicContact CG-CG2 4.04Å; L36-L85 HydrophobicContact CD1-CD2 3.91Å |
| 37 | K | 91.3 | Very high | 90.1 | Very high | 93 Ų | 93 | 68.2 Ų | 68.2 | 40% | 0.404 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -50.3 | 178.2 | -164.9 | -177.4 | -179.7 | 180 | 0 | 111.5 | Q33 E34 Y39 F40 C41 V46 C49 | Q33-K37 WeakPolarHBondContact O-CB 3.39Å; Q33-K37 PolarHBondContact O-N 3.37Å; E34-K37 WeakPolarHBondContact O-CA 3.5Å; E34-K37 WeakPolarHBondContact O-CB 3.38Å; E34-K37 PolarHBondContact O-N 2.9Å; K37-Y39 VanDerWaalsContact C-N 3.28Å; K37-Y39 PolarHBondContact O-N 3.14Å; K37-F40 PolarHBondContact O-N 3.05Å; K37-C41 VanDerWaalsContact O-CB 3.3Å; K37-C41 WeakPolarHBondContact O-CB 3.39Å; K37-C41 PolarHBondContact O-N 3.49Å; K37-V46 HydrophobicContact CG-CB 4.06Å; K37-V46 HydrophobicContact CG-CG1 4Å; K37-C49 HydrophobicContact CB-CB 4.41Å |
| 38 | E | 91.6 | Very high | 90 | Very high | 136 Ų | 136 | 72.5 Ų | 72.5 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.7 | -38.1 | -179.3 | -73.2 | 173.7 | -158.3 | 0 | 0 | 112.3 | E34 | E34-E38 WeakPolarHBondContact O-CG 3.47Å; E34-E38 PolarHBondContact O-N 3.18Å |
| 39 | Y | 90.7 | Very high | 89.9 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 12% | 0.122 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.4 | -48.3 | 174.9 | -176 | -92.5 | 0 | 0 | 0 | 112.2 | G35 L36 K37 K42 Y43 H83 E84 L85 I90 | G35-Y39 WeakPolarHBondContact O-CB 3.46Å; G35-Y39 PolarHBondContact O-N 3.38Å; G35-Y39 VanDerWaalsContact O-N 3.16Å; L36-Y39 PolarHBondContact O-N 3.5Å; K37-Y39 VanDerWaalsContact C-N 3.28Å; K37-Y39 PolarHBondContact O-N 3.14Å; Y39-K42 WeakPolarHBondContact O-CB 3.46Å; Y39-K42 PolarHBondContact O-N 3.14Å; Y39-Y43 HydrophobicContact CD1-CE2 4.31Å; Y39-Y43 AromaticContact CE1-CE2 3.81Å; Y39-Y43 HydrophobicContact CE1-CE2 3.81Å; Y39-Y43 PolarHBondContact OH-OH 2.85Å; Y39-H83 HydrophobicContact CE1-CB 4.25Å; Y39-H83 AromaticContact CE1-ND1 3.53Å; Y39-H83 AromaticContact CZ-ND1 3.75Å; Y39-H83 PolarHBondContact OH-ND1 2.79Å; Y39-H83 VanDerWaalsContact OH-ND1 3.07Å; Y39-E84 WeakPolarHBondContact CE2-O 3.31Å; Y39-L85 HydrophobicContact CD2-CD1 3.9Å; Y39-L85 HydrophobicContact CG-CD1 4.03Å; Y39-I90 HydrophobicContact CD1-CD1 4.2Å; Y39-I90 HydrophobicContact CE1-CD1 3.95Å |
| 40 | F | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.5 | -24.6 | -177.3 | -78.5 | -67.7 | 0 | 0 | 0 | 114.2 | I24 L36 K37 K42 Y43 G44 V46 V66 F68 V77 I90 P92 | I24-F40 HydrophobicContact CD1-CE1 4.16Å; I24-F40 HydrophobicContact CD1-CE2 3.83Å; I24-F40 HydrophobicContact CD1-CZ 3.57Å; I24-F40 HydrophobicContact CG1-CE2 3.85Å; I24-F40 HydrophobicContact CG1-CZ 4.07Å; I24-F40 HydrophobicContact CG2-CE2 3.93Å; I24-F40 HydrophobicContact CG2-CZ 3.91Å; L36-F40 HydrophobicContact CD1-CD2 4Å; L36-F40 HydrophobicContact CD1-CE2 3.64Å; L36-F40 HydrophobicContact CG-CD2 4.08Å; L36-F40 HydrophobicContact CG-CE2 4.19Å; L36-F40 VanDerWaalsContact O-CD2 3.3Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; L36-F40 PolarHBondContact O-N 2.96Å; L36-F40 VanDerWaalsContact O-N 3.14Å; K37-F40 PolarHBondContact O-N 3.05Å; F40-K42 PolarHBondContact O-N 3.16Å; F40-Y43 HydrophobicContact CD1-CD2 4.36Å; F40-Y43 PolarHBondContact O-N 3.43Å; F40-G44 PolarHBondContact O-N 2.86Å; F40-V46 HydrophobicContact CB-CG2 3.86Å; F40-V66 HydrophobicContact CB-CG1 4.17Å; F40-V66 HydrophobicContact CD2-CG2 3.85Å; F40-V66 HydrophobicContact CE2-CG2 4.28Å; F40-V66 HydrophobicContact CG-CG1 4.34Å; F40-V66 HydrophobicContact CG-CG2 4.44Å; F40-F68 HydrophobicContact CB-CE1 4.33Å; F40-F68 HydrophobicContact CB-CZ 3.93Å; F40-F68 AromaticContact CD1-CZ 3.96Å; F40-F68 HydrophobicContact CD1-CZ 3.96Å; F40-F68 HydrophobicContact CG-CZ 4.27Å; F40-V77 HydrophobicContact CD1-CG1 4.5Å; F40-V77 HydrophobicContact CD1-CG2 3.8Å; F40-V77 HydrophobicContact CE1-CG1 3.85Å; F40-V77 HydrophobicContact CE1-CG2 3.96Å; F40-I90 HydrophobicContact CE2-CD1 4Å; F40-I90 HydrophobicContact CZ-CD1 3.7Å; F40-P92 HydrophobicContact CE1-CB 4.39Å; F40-P92 HydrophobicContact CZ-CB 4.34Å |
| 41 | C | 90.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -24.2 | 173.9 | -157.7 | 0 | 0 | 0 | 0 | 113 | K37 Y43 G44 | K37-C41 VanDerWaalsContact O-CB 3.3Å; K37-C41 WeakPolarHBondContact O-CB 3.39Å; K37-C41 PolarHBondContact O-N 3.49Å; C41-Y43 VanDerWaalsContact C-N 3.26Å; C41-Y43 PolarHBondContact O-N 3.22Å; C41-G44 WeakPolarHBondContact CA-O 3.35Å |
| 42 | K | 89.8 | Confident | 90.1 | Very high | 163 Ų | 163 | 61.8 Ų | 61.8 | 71% | 0.709 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.2 | 176 | -60.1 | 177 | -176.1 | 178.9 | 0 | 113.8 | Y39 F40 | Y39-K42 WeakPolarHBondContact O-CB 3.46Å; Y39-K42 PolarHBondContact O-N 3.14Å; F40-K42 PolarHBondContact O-N 3.16Å |
| 43 | Y | 88.4 | Confident | 90.2 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -35.1 | -177.5 | -57.3 | -89.5 | 0 | 0 | 0 | 111.4 | Y39 F40 C41 K76 V77 Q80 H83 | Y39-Y43 HydrophobicContact CD1-CE2 4.31Å; Y39-Y43 AromaticContact CE1-CE2 3.81Å; Y39-Y43 HydrophobicContact CE1-CE2 3.81Å; Y39-Y43 PolarHBondContact OH-OH 2.85Å; F40-Y43 HydrophobicContact CD1-CD2 4.36Å; F40-Y43 PolarHBondContact O-N 3.43Å; C41-Y43 VanDerWaalsContact C-N 3.26Å; C41-Y43 PolarHBondContact O-N 3.22Å; Y43-K76 HydrophobicContact CD1-CB 4.42Å; Y43-K76 WeakPolarHBondContact O-CD 3.27Å; Y43-K76 PolarHBondContact O-NZ 2.79Å; Y43-V77 HydrophobicContact CD1-CG2 4.28Å; Y43-V77 HydrophobicContact CD2-CG2 4.11Å; Y43-V77 HydrophobicContact CG-CG2 3.76Å; Y43-Q80 HydrophobicContact CE1-CB 4.35Å; Y43-Q80 HydrophobicContact CE1-CG 4.34Å; Y43-Q80 PolarHBondContact OH-NE2 3.49Å; Y43-H83 AromaticContact CE1-CE1 3.85Å; Y43-H83 AromaticContact CE2-CE1 3.96Å; Y43-H83 AromaticContact CZ-CE1 3.52Å; Y43-H83 AromaticContact CZ-ND1 3.73Å; Y43-H83 PolarHBondContact OH-ND1 2.74Å |
| 44 | G | 88.3 | Confident | 90.1 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -172.4 | 170.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F40 C41 V46 F68 | F40-G44 PolarHBondContact O-N 2.86Å; C41-G44 WeakPolarHBondContact CA-O 3.35Å; G44-V46 PolarHBondContact O-N 3.41Å; G44-F68 WeakPolarHBondContact O-CE1 3.39Å |
| 45 | E | 91.4 | Very high | 89.9 | Confident | 129 Ų | 129 | 62.7 Ų | 62.7 | 60% | 0.603 | 31% | 0.311 | S | S | * | . | trans | -67.7 | 125.7 | -179.7 | -168.9 | 177.4 | 161.1 | 0 | 0 | 111.4 | F68 V69 | E45-F68 CarbonylContact O-C 3.58Å; E45-F68 WeakPolarHBondContact O-CA 3.47Å; E45-F68 WeakPolarHBondContact O-CD1 3.36Å; E45-V69 HydrophobicContact CB-CB 4.27Å; E45-V69 HydrophobicContact CB-CG2 4.03Å; E45-V69 HydrophobicContact CG-CG2 3.82Å; E45-V69 PolarHBondContact O-N 2.91Å | ||
| 46 | V | 90.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 106.9 | -178 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | K37 F40 G44 E48 C49 V66 F68 | K37-V46 HydrophobicContact CG-CB 4.06Å; K37-V46 HydrophobicContact CG-CG1 4Å; F40-V46 HydrophobicContact CB-CG2 3.86Å; G44-V46 PolarHBondContact O-N 3.41Å; V46-E48 VanDerWaalsContact CG1-O 3.26Å; V46-E48 WeakPolarHBondContact CG1-O 3.3Å; V46-C49 HydrophobicContact CG1-CB 4.1Å; V46-V66 HydrophobicContact CG1-CG1 3.77Å; V46-V66 HydrophobicContact CG2-CG1 4.01Å; V46-F68 HydrophobicContact CG2-CD1 4.13Å; V46-F68 HydrophobicContact CG2-CE1 3.84Å; V46-F68 HydrophobicContact CG2-CZ 4.46Å |
| 47 | K | 88.9 | Confident | 89.8 | Confident | 122 Ų | 122 | 71.9 Ų | 71.9 | 53% | 0.53 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | -49.2 | 174.4 | -176.4 | -176.3 | 177 | -172.5 | 0 | 111.2 | T67 V69 | K47-T67 WeakPolarHBondContact CB-O 3.47Å; K47-T67 HydrophobicContact CD-CG2 4.39Å; K47-T67 PolarHBondContact N-O 2.95Å; K47-V69 HydrophobicContact CB-CG2 3.81Å |
| 48 | E | 87.6 | Confident | 89.6 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 146.7 | -176.8 | -167.7 | -168 | -160.8 | 0 | 0 | 110.2 | K21 V46 T67 | K21-E48 IonicContact NZ-OE2 3.24Å; V46-E48 VanDerWaalsContact CG1-O 3.26Å; V46-E48 WeakPolarHBondContact CG1-O 3.3Å; E48-T67 PolarHBondContact N-O 3.34Å; E48-T67 VanDerWaalsContact N-O 3.07Å; E48-T67 PolarHBondContact O-N 3.33Å; E48-T67 PolarHBondContact OE2-OG1 3.36Å |
| 49 | C | 89.8 | Confident | 89.4 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140.3 | 171.1 | 50.4 | 0 | 0 | 0 | 0 | 108.1 | Q33 K37 V46 F65 V66 | Q33-C49 HydrophobicContact CG-CB 4.23Å; Q33-C49 WeakPolarHBondContact CG-O 3.5Å; Q33-C49 WeakPolarHBondContact CG-SG 3.47Å; Q33-C49 PolarHBondContact NE2-O 3.35Å; Q33-C49 VanDerWaalsContact NE2-O 3.16Å; Q33-C49 PolarHBondContact OE1-O 2.68Å; K37-C49 HydrophobicContact CB-CB 4.41Å; V46-C49 HydrophobicContact CG1-CB 4.1Å; C49-F65 WeakPolarHBondContact CA-O 3.21Å; C49-V66 HydrophobicContact CB-CG2 4.41Å |
| 50 | M | 88.8 | Confident | 89.4 | Confident | 70 Ų | 70 | 74.1 Ų | 74.1 | 35% | 0.345 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 114.4 | -177.2 | -172.3 | 174.9 | 45.4 | 0 | 0 | 110.5 | M52 G64 F65 | M50-M52 HydrophobicContact CE-CE 3.67Å; M50-M52 HydrophobicContact CG-CE 3.52Å; M50-M52 HydrophobicContact SD-CE 3.45Å; M50-M52 WeakPolarHBondContact SD-CE 3.44Å; M50-G64 CarbonylContact O-C 3.56Å; M50-G64 WeakPolarHBondContact O-CA 3.12Å; M50-F65 PolarHBondContact N-O 2.94Å; M50-F65 PolarHBondContact O-N 3.29Å |
| 51 | V | 91.8 | Very high | 89.3 | Confident | 12 Ų | 12 | 81.4 Ų | 81.4 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | L27 Q33 L36 R53 | L27-V51 HydrophobicContact CD1-CG2 4.39Å; Q33-V51 HydrophobicContact CB-CG2 4.27Å; L36-V51 HydrophobicContact CB-CG2 4.49Å; L36-V51 HydrophobicContact CD2-CG2 3.87Å; V51-R53 HydrophobicContact CG1-CG 4.2Å; V51-R53 PolarHBondContact O-N 3.38Å |
| 52 | M | 89.8 | Confident | 89.2 | Confident | 48 Ų | 48 | 78.4 Ų | 78.4 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 109.6 | 178.7 | -74.3 | -70.2 | 101.6 | 0 | 0 | 110.3 | M50 R61 F63 F65 | M50-M52 HydrophobicContact CE-CE 3.67Å; M50-M52 HydrophobicContact CG-CE 3.52Å; M50-M52 HydrophobicContact SD-CE 3.45Å; M50-M52 WeakPolarHBondContact SD-CE 3.44Å; M52-R61 VanDerWaalsContact O-CB 3.24Å; M52-R61 WeakPolarHBondContact O-CB 3.4Å; M52-R61 WeakPolarHBondContact O-CG 3.3Å; M52-R61 PolarHBondContact O-N 3.29Å; M52-F63 HydrophobicContact CB-CD2 3.99Å; M52-F63 HydrophobicContact CB-CE1 4.23Å; M52-F63 HydrophobicContact CB-CE2 3.62Å; M52-F63 HydrophobicContact CB-CG 4.47Å; M52-F63 HydrophobicContact CB-CZ 3.73Å; M52-F63 HydrophobicContact CG-CD2 4.02Å; M52-F63 HydrophobicContact CG-CE2 3.49Å; M52-F63 VanDerWaalsContact CG-CE2 3.49Å; M52-F63 HydrophobicContact CG-CZ 3.99Å; M52-F63 PolarHBondContact N-O 3.17Å; M52-F65 HydrophobicContact CG-CD2 4.35Å; M52-F65 HydrophobicContact CG-CE2 4.17Å |
| 53 | R | 90.8 | Very high | 89.4 | Confident | 110 Ų | 110 | 72.7 Ų | 72.7 | 42% | 0.415 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 151 | 175.7 | -62.3 | -176.5 | 170.1 | -169.4 | -7.6 | 109.9 | T31 V51 R59 | T31-R53 PolarHBondContact O-NH2 2.85Å; V51-R53 HydrophobicContact CG1-CG 4.2Å; V51-R53 PolarHBondContact O-N 3.38Å; R53-R59 CarbonylContact C-O 3.52Å; R53-R59 VanDerWaalsContact CA-O 3.3Å; R53-R59 WeakPolarHBondContact CA-O 3.37Å |
| 54 | D | 89.1 | Confident | 89.5 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | trans | -63.3 | 125.4 | 170 | 173.5 | -1.7 | 0 | 0 | 0 | 109.2 | V56 T57 K58 R59 | D54-V56 PolarHBondContact O-N 2.85Å; D54-V56 PolarHBondContact OD1-N 3.36Å; D54-T57 WeakPolarHBondContact CB-OG1 3.3Å; D54-T57 VanDerWaalsContact CG-OG1 3.25Å; D54-T57 WeakPolarHBondContact OD2-CB 3.41Å; D54-T57 VanDerWaalsContact OD2-CG2 3.25Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.21Å; D54-T57 PolarHBondContact OD2-N 3.37Å; D54-T57 PolarHBondContact OD2-OG1 2.86Å; D54-K58 WeakPolarHBondContact O-CA 3.5Å; D54-K58 PolarHBondContact O-N 3.22Å; D54-R59 PolarHBondContact N-O 3.01Å | ||
| 55 | P | 87.6 | Confident | 89.7 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.4 | -179.6 | 24.5 | -34.8 | 0 | 0 | 0 | 113.3 | K58 | P55-K58 WeakPolarHBondContact O-CE 3.44Å; P55-K58 PolarHBondContact O-NZ 2.81Å |
| 56 | V | 89.6 | Confident | 89.8 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 77% | 0.77 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -61.6 | -177.8 | -176 | 0 | 0 | 0 | 0 | 110.8 | D54 K58 | D54-V56 PolarHBondContact O-N 2.85Å; D54-V56 PolarHBondContact OD1-N 3.36Å; V56-K58 VanDerWaalsContact C-N 3.31Å; V56-K58 PolarHBondContact O-N 3.22Å |
| 57 | T | 88.8 | Confident | 89.7 | Confident | 89 Ų | 89 | 66 Ų | 66 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.4 | -174.4 | 68.7 | 0 | 0 | 0 | 0 | 114.4 | D54 R59 | D54-T57 WeakPolarHBondContact CB-OG1 3.3Å; D54-T57 VanDerWaalsContact CG-OG1 3.25Å; D54-T57 WeakPolarHBondContact OD2-CB 3.41Å; D54-T57 VanDerWaalsContact OD2-CG2 3.25Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.21Å; D54-T57 PolarHBondContact OD2-N 3.37Å; D54-T57 PolarHBondContact OD2-OG1 2.86Å; T57-R59 PolarHBondContact O-N 2.92Å; T57-R59 WeakPolarHBondContact OG1-CB 3.34Å; T57-R59 PolarHBondContact OG1-N 2.91Å |
| 58 | K | 86.9 | Confident | 89.9 | Confident | 143 Ų | 143 | 60.3 Ų | 60.3 | 62% | 0.622 | 29% | 0.292 | S | S | * | . | trans | 55.6 | 4.2 | -171.7 | -55.2 | -52.7 | -171.7 | -162 | 0 | 115.5 | D54 P55 V56 | D54-K58 WeakPolarHBondContact O-CA 3.5Å; D54-K58 PolarHBondContact O-N 3.22Å; P55-K58 WeakPolarHBondContact O-CE 3.44Å; P55-K58 PolarHBondContact O-NZ 2.81Å; V56-K58 VanDerWaalsContact C-N 3.31Å; V56-K58 PolarHBondContact O-N 3.22Å | ||
| 59 | R | 87.5 | Confident | 90 | Very high | 158 Ų | 158 | 59.1 Ų | 59.1 | 60% | 0.596 | 29% | 0.291 | S | S | * | . | trans | -66.8 | 138.3 | 177.4 | -172.2 | 178.2 | -71.4 | -161.6 | -1.5 | 110.3 | R53 D54 T57 R61 | R53-R59 CarbonylContact C-O 3.52Å; R53-R59 VanDerWaalsContact CA-O 3.3Å; R53-R59 WeakPolarHBondContact CA-O 3.37Å; D54-R59 PolarHBondContact N-O 3.01Å; T57-R59 PolarHBondContact O-N 2.92Å; T57-R59 WeakPolarHBondContact OG1-CB 3.34Å; T57-R59 PolarHBondContact OG1-N 2.91Å; R59-R61 PolarHBondContact O-N 3.15Å | ||
| 60 | S | 90.4 | Very high | 90 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 134.2 | 170.9 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | W29 G62 | W29-S60 WeakPolarHBondContact O-CB 3.25Å; S60-G62 PolarHBondContact O-N 3.36Å; S60-G62 PolarHBondContact OG-N 2.86Å |
| 61 | R | 88.4 | Confident | 89.9 | Confident | 154 Ų | 154 | 63.3 Ų | 63.3 | 58% | 0.581 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 3.4 | 175.8 | -59.7 | 175.3 | 62.5 | -172.4 | -1.2 | 112.3 | M52 R59 F63 | M52-R61 VanDerWaalsContact O-CB 3.24Å; M52-R61 WeakPolarHBondContact O-CB 3.4Å; M52-R61 WeakPolarHBondContact O-CG 3.3Å; M52-R61 PolarHBondContact O-N 3.29Å; R59-R61 PolarHBondContact O-N 3.15Å; R61-F63 VanDerWaalsContact C-N 3.34Å; R61-F63 HydrophobicContact CB-CD1 3.8Å; R61-F63 HydrophobicContact CB-CE1 3.55Å; R61-F63 HydrophobicContact CB-CZ 4.49Å; R61-F63 HydrophobicContact CG-CE1 4.49Å |
| 62 | G | 89.4 | Confident | 89.7 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 11% | 0.113 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.6 | 17.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G26 L27 S60 | G26-G62 PolarHBondContact N-O 2.97Å; L27-G62 PolarHBondContact N-O 2.58Å; S60-G62 PolarHBondContact O-N 3.36Å; S60-G62 PolarHBondContact OG-N 2.86Å |
| 63 | F | 92.3 | Very high | 89.6 | Confident | 43 Ų | 43 | 63 Ų | 63 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 160.7 | 173.6 | 71.6 | -87.4 | 0 | 0 | 0 | 111.9 | F23 I24 M52 R61 F65 | F23-F63 HydrophobicContact CD2-CD2 4.34Å; F23-F63 HydrophobicContact CE2-CB 3.94Å; F23-F63 AromaticContact CE2-CD2 3.57Å; F23-F63 HydrophobicContact CE2-CD2 3.57Å; F23-F63 HydrophobicContact CE2-CE2 4.32Å; F23-F63 AromaticContact CE2-CG 4Å; F23-F63 HydrophobicContact CE2-CG 4Å; F23-F63 HydrophobicContact CZ-CB 3.97Å; F23-F63 HydrophobicContact CZ-CD2 4.38Å; F23-F63 HydrophobicContact CZ-CG 4.37Å; I24-F63 CarbonylContact O-C 3.57Å; I24-F63 WeakPolarHBondContact O-CA 3.26Å; I24-F63 WeakPolarHBondContact O-CB 3.21Å; M52-F63 HydrophobicContact CB-CD2 3.99Å; M52-F63 HydrophobicContact CB-CE1 4.23Å; M52-F63 HydrophobicContact CB-CE2 3.62Å; M52-F63 HydrophobicContact CB-CG 4.47Å; M52-F63 HydrophobicContact CB-CZ 3.73Å; M52-F63 HydrophobicContact CG-CD2 4.02Å; M52-F63 HydrophobicContact CG-CE2 3.49Å; M52-F63 VanDerWaalsContact CG-CE2 3.49Å; M52-F63 HydrophobicContact CG-CZ 3.99Å; M52-F63 PolarHBondContact N-O 3.17Å; R61-F63 VanDerWaalsContact C-N 3.34Å; R61-F63 HydrophobicContact CB-CD1 3.8Å; R61-F63 HydrophobicContact CB-CE1 3.55Å; R61-F63 HydrophobicContact CB-CZ 4.49Å; R61-F63 HydrophobicContact CG-CE1 4.49Å; F63-F65 HydrophobicContact CD2-CE2 4.48Å; F63-F65 HydrophobicContact CE2-CE2 4.23Å |
| 64 | G | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | -177.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I24 M50 | I24-G64 PolarHBondContact N-O 3.05Å; I24-G64 PolarHBondContact O-N 3.35Å; M50-G64 CarbonylContact O-C 3.56Å; M50-G64 WeakPolarHBondContact O-CA 3.12Å |
| 65 | F | 92.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 18% | 0.184 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.6 | 171.7 | -63.6 | -86 | 0 | 0 | 0 | 109.7 | M22 F23 C49 M50 M52 F63 A95 | M22-F65 VanDerWaalsContact O-CA 3.27Å; M22-F65 WeakPolarHBondContact O-CA 3.37Å; F23-F65 HydrophobicContact CB-CD1 4.26Å; F23-F65 HydrophobicContact CB-CE1 4.06Å; F23-F65 HydrophobicContact CD2-CD1 4.43Å; F23-F65 AromaticContact CD2-CE1 3.79Å; F23-F65 HydrophobicContact CD2-CE1 3.79Å; F23-F65 AromaticContact CD2-CZ 3.97Å; F23-F65 HydrophobicContact CD2-CZ 3.97Å; F23-F65 HydrophobicContact CG-CE1 4.44Å; C49-F65 WeakPolarHBondContact CA-O 3.21Å; M50-F65 PolarHBondContact N-O 2.94Å; M50-F65 PolarHBondContact O-N 3.29Å; M52-F65 HydrophobicContact CG-CD2 4.35Å; M52-F65 HydrophobicContact CG-CE2 4.17Å; F63-F65 HydrophobicContact CD2-CE2 4.48Å; F63-F65 HydrophobicContact CE2-CE2 4.23Å; F65-A95 HydrophobicContact CD1-CB 4.32Å; F65-A95 HydrophobicContact CE1-CB 4.47Å |
| 66 | V | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.8 | 175.9 | 177 | 0 | 0 | 0 | 0 | 107.4 | M22 I24 L36 F40 V46 C49 F68 | M22-V66 PolarHBondContact N-O 3.19Å; M22-V66 PolarHBondContact O-N 3.06Å; I24-V66 HydrophobicContact CD1-CB 4.33Å; I24-V66 HydrophobicContact CD1-CG2 4.18Å; I24-V66 HydrophobicContact CG1-CB 4.3Å; I24-V66 HydrophobicContact CG1-CG2 3.71Å; L36-V66 HydrophobicContact CD2-CG2 3.77Å; L36-V66 HydrophobicContact CG-CG2 4.04Å; F40-V66 HydrophobicContact CB-CG1 4.17Å; F40-V66 HydrophobicContact CD2-CG2 3.85Å; F40-V66 HydrophobicContact CE2-CG2 4.28Å; F40-V66 HydrophobicContact CG-CG1 4.34Å; F40-V66 HydrophobicContact CG-CG2 4.44Å; V46-V66 HydrophobicContact CG1-CG1 3.77Å; V46-V66 HydrophobicContact CG2-CG1 4.01Å; C49-V66 HydrophobicContact CB-CG2 4.41Å; V66-F68 HydrophobicContact CG1-CD2 4.32Å; V66-F68 HydrophobicContact CG1-CE2 3.95Å; V66-F68 HydrophobicContact CG1-CZ 4.19Å |
| 67 | T | 90.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.5 | 175.9 | -45.9 | 0 | 0 | 0 | 0 | 107.3 | K21 K47 E48 | K21-T67 HydrophobicContact CB-CG2 4.46Å; K47-T67 WeakPolarHBondContact CB-O 3.47Å; K47-T67 HydrophobicContact CD-CG2 4.39Å; K47-T67 PolarHBondContact N-O 2.95Å; E48-T67 PolarHBondContact N-O 3.34Å; E48-T67 VanDerWaalsContact N-O 3.07Å; E48-T67 PolarHBondContact O-N 3.33Å; E48-T67 PolarHBondContact OE2-OG1 3.36Å |
| 68 | F | 91.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 158 | 172.6 | -72.1 | -85.8 | 0 | 0 | 0 | 110.9 | C20 M22 F40 G44 E45 V46 V66 D70 V74 V77 | C20-F68 HydrophobicContact CB-CB 4.3Å; C20-F68 WeakPolarHBondContact CB-O 3.4Å; C20-F68 PolarHBondContact O-N 3.42Å; M22-F68 HydrophobicContact CG-CD2 4.42Å; M22-F68 HydrophobicContact CG-CE2 4.29Å; M22-F68 HydrophobicContact SD-CD2 4.34Å; M22-F68 HydrophobicContact SD-CE2 3.77Å; F40-F68 HydrophobicContact CB-CE1 4.33Å; F40-F68 HydrophobicContact CB-CZ 3.93Å; F40-F68 AromaticContact CD1-CZ 3.96Å; F40-F68 HydrophobicContact CD1-CZ 3.96Å; F40-F68 HydrophobicContact CG-CZ 4.27Å; G44-F68 WeakPolarHBondContact O-CE1 3.39Å; E45-F68 CarbonylContact O-C 3.58Å; E45-F68 WeakPolarHBondContact O-CA 3.47Å; E45-F68 WeakPolarHBondContact O-CD1 3.36Å; V46-F68 HydrophobicContact CG2-CD1 4.13Å; V46-F68 HydrophobicContact CG2-CE1 3.84Å; V46-F68 HydrophobicContact CG2-CZ 4.46Å; V66-F68 HydrophobicContact CG1-CD2 4.32Å; V66-F68 HydrophobicContact CG1-CE2 3.95Å; V66-F68 HydrophobicContact CG1-CZ 4.19Å; F68-D70 WeakPolarHBondContact CB-O 3.41Å; F68-V74 HydrophobicContact CB-CG2 4.41Å; F68-V74 HydrophobicContact CD2-CG2 3.72Å; F68-V74 HydrophobicContact CE2-CG2 4.45Å; F68-V74 HydrophobicContact CG-CG2 4.37Å; F68-V77 HydrophobicContact CE2-CG2 4.25Å; F68-V77 HydrophobicContact CZ-CG2 3.87Å |
| 69 | V | 90.3 | Very high | 89.6 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -68.6 | -53.3 | 164.4 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | E45 K47 | E45-V69 HydrophobicContact CB-CB 4.27Å; E45-V69 HydrophobicContact CB-CG2 4.03Å; E45-V69 HydrophobicContact CG-CG2 3.82Å; E45-V69 PolarHBondContact O-N 2.91Å; K47-V69 HydrophobicContact CB-CG2 3.81Å |
| 70 | D | 89.1 | Confident | 89.4 | Confident | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -103 | 139.4 | -177.7 | -63.2 | -38.2 | 0 | 0 | 0 | 113.2 | F68 A72 G73 | F68-D70 WeakPolarHBondContact CB-O 3.41Å; D70-A72 HydrophobicContact CB-CB 4.44Å; D70-A72 PolarHBondContact O-N 3.27Å; D70-G73 PolarHBondContact O-N 3.27Å |
| 71 | Q | 86.9 | Confident | 88.7 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 33% | 0.327 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.6 | -31.5 | 170.7 | -172.1 | 62.2 | 36.6 | 0 | 0 | 112.2 | P19 G73 V74 D75 | P19-Q71 PolarHBondContact O-OE1 2.9Å; Q71-G73 PolarHBondContact O-N 2.76Å; Q71-G73 VanDerWaalsContact O-N 3.1Å; Q71-V74 WeakPolarHBondContact O-CA 3.26Å; Q71-V74 VanDerWaalsContact O-CB 3.28Å; Q71-V74 WeakPolarHBondContact O-CB 3.42Å; Q71-V74 PolarHBondContact O-N 3.04Å; Q71-D75 PolarHBondContact O-N 2.85Å; Q71-D75 VanDerWaalsContact O-N 3.14Å |
| 72 | A | 88.3 | Confident | 88.5 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.8 | -22.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D70 K76 | D70-A72 HydrophobicContact CB-CB 4.44Å; D70-A72 PolarHBondContact O-N 3.27Å; A72-K76 VanDerWaalsContact O-CD 3.31Å; A72-K76 WeakPolarHBondContact O-CD 3.46Å; A72-K76 VanDerWaalsContact O-CG 3.27Å; A72-K76 WeakPolarHBondContact O-CG 3.16Å; A72-K76 PolarHBondContact O-N 3.09Å |
| 73 | G | 87.8 | Confident | 88.5 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D70 Q71 K76 V77 | D70-G73 PolarHBondContact O-N 3.27Å; Q71-G73 PolarHBondContact O-N 2.76Å; Q71-G73 VanDerWaalsContact O-N 3.1Å; G73-K76 PolarHBondContact O-N 3.49Å; G73-V77 WeakPolarHBondContact O-CG2 3.37Å; G73-V77 PolarHBondContact O-N 3.03Å |
| 74 | V | 87.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | M22 F68 Q71 K76 V77 L78 | M22-V74 HydrophobicContact CE-CG1 4.01Å; M22-V74 HydrophobicContact CG-CB 4.41Å; M22-V74 HydrophobicContact CG-CG1 3.97Å; M22-V74 HydrophobicContact CG-CG2 3.91Å; M22-V74 HydrophobicContact SD-CB 4.11Å; M22-V74 HydrophobicContact SD-CG1 3.8Å; M22-V74 HydrophobicContact SD-CG2 4.1Å; F68-V74 HydrophobicContact CB-CG2 4.41Å; F68-V74 HydrophobicContact CD2-CG2 3.72Å; F68-V74 HydrophobicContact CE2-CG2 4.45Å; F68-V74 HydrophobicContact CG-CG2 4.37Å; Q71-V74 WeakPolarHBondContact O-CA 3.26Å; Q71-V74 VanDerWaalsContact O-CB 3.28Å; Q71-V74 WeakPolarHBondContact O-CB 3.42Å; Q71-V74 PolarHBondContact O-N 3.04Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 3.07Å; V74-V77 WeakPolarHBondContact O-CB 3.45Å; V74-V77 PolarHBondContact O-N 2.96Å; V74-V77 VanDerWaalsContact O-N 3.14Å; V74-L78 HydrophobicContact CG1-CD1 3.83Å; V74-L78 HydrophobicContact CG1-CG 4.3Å; V74-L78 WeakPolarHBondContact O-CG 3.37Å; V74-L78 PolarHBondContact O-N 2.64Å |
| 75 | D | 88.7 | Confident | 88.1 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | -176.3 | -57.2 | -33.2 | 0 | 0 | 0 | 111.9 | Q71 L78 A79 | Q71-D75 PolarHBondContact O-N 2.85Å; Q71-D75 VanDerWaalsContact O-N 3.14Å; D75-L78 PolarHBondContact O-N 2.94Å; D75-A79 WeakPolarHBondContact O-CB 3.41Å; D75-A79 PolarHBondContact O-N 3.49Å |
| 76 | K | 90.4 | Very high | 87.6 | Confident | 120 Ų | 120 | 57.8 Ų | 57.8 | 52% | 0.522 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 173.9 | -71.2 | 165.5 | -176.7 | 174.4 | 0 | 113.3 | Y43 A72 G73 V74 | Y43-K76 HydrophobicContact CD1-CB 4.42Å; Y43-K76 WeakPolarHBondContact O-CD 3.27Å; Y43-K76 PolarHBondContact O-NZ 2.79Å; A72-K76 VanDerWaalsContact O-CD 3.31Å; A72-K76 WeakPolarHBondContact O-CD 3.46Å; A72-K76 VanDerWaalsContact O-CG 3.27Å; A72-K76 WeakPolarHBondContact O-CG 3.16Å; A72-K76 PolarHBondContact O-N 3.09Å; G73-K76 PolarHBondContact O-N 3.49Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 3.07Å |
| 77 | V | 89.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.8 | -46.7 | 173.1 | 171.5 | 0 | 0 | 0 | 0 | 109.7 | M22 F40 Y43 F68 G73 V74 A79 Q80 H83 P92 | M22-V77 HydrophobicContact CE-CB 4.17Å; M22-V77 HydrophobicContact CE-CG1 3.68Å; M22-V77 HydrophobicContact SD-CB 3.93Å; M22-V77 HydrophobicContact SD-CG1 3.79Å; M22-V77 HydrophobicContact SD-CG2 4.4Å; F40-V77 HydrophobicContact CD1-CG1 4.5Å; F40-V77 HydrophobicContact CD1-CG2 3.8Å; F40-V77 HydrophobicContact CE1-CG1 3.85Å; F40-V77 HydrophobicContact CE1-CG2 3.96Å; Y43-V77 HydrophobicContact CD1-CG2 4.28Å; Y43-V77 HydrophobicContact CD2-CG2 4.11Å; Y43-V77 HydrophobicContact CG-CG2 3.76Å; F68-V77 HydrophobicContact CE2-CG2 4.25Å; F68-V77 HydrophobicContact CZ-CG2 3.87Å; G73-V77 WeakPolarHBondContact O-CG2 3.37Å; G73-V77 PolarHBondContact O-N 3.03Å; V74-V77 WeakPolarHBondContact O-CB 3.45Å; V74-V77 PolarHBondContact O-N 2.96Å; V74-V77 VanDerWaalsContact O-N 3.14Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 3.49Å; V77-Q80 PolarHBondContact O-N 3.01Å; V77-H83 PolarHBondContact O-NE2 2.85Å; V77-P92 HydrophobicContact CG1-CB 3.48Å; V77-P92 VanDerWaalsContact CG1-CB 3.48Å; V77-P92 HydrophobicContact CG1-CG 3.52Å |
| 78 | L | 87.5 | Confident | 87.3 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 41% | 0.414 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.7 | -29.8 | 178.9 | -66.1 | 172.6 | 0 | 0 | 0 | 113.4 | M22 V74 D75 Q80 V94 | M22-L78 HydrophobicContact CE-CD2 3.68Å; M22-L78 HydrophobicContact CE-CG 3.87Å; V74-L78 HydrophobicContact CG1-CD1 3.83Å; V74-L78 HydrophobicContact CG1-CG 4.3Å; V74-L78 WeakPolarHBondContact O-CG 3.37Å; V74-L78 PolarHBondContact O-N 2.64Å; D75-L78 PolarHBondContact O-N 2.94Å; L78-Q80 PolarHBondContact O-N 3.3Å; L78-V94 HydrophobicContact CD1-CG2 3.72Å; L78-V94 HydrophobicContact CD2-CG2 4.36Å |
| 79 | A | 87.8 | Confident | 87.2 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 66% | 0.661 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.6 | -24.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D75 V77 S81 | D75-A79 WeakPolarHBondContact O-CB 3.41Å; D75-A79 PolarHBondContact O-N 3.49Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 3.49Å; A79-S81 PolarHBondContact O-N 2.85Å |
| 80 | Q | 84.9 | Confident | 87.3 | Confident | 93 Ų | 93 | 68 Ų | 68 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | trans | -91 | 96.8 | -179.5 | -176.3 | 96.4 | -54.5 | 0 | 0 | 110.1 | Y43 V77 L78 R82 H83 | Y43-Q80 HydrophobicContact CE1-CB 4.35Å; Y43-Q80 HydrophobicContact CE1-CG 4.34Å; Y43-Q80 PolarHBondContact OH-NE2 3.49Å; V77-Q80 PolarHBondContact O-N 3.01Å; L78-Q80 PolarHBondContact O-N 3.3Å; Q80-R82 PolarHBondContact O-N 3.2Å; Q80-H83 PolarHBondContact O-CD2 3.37Å; Q80-H83 VanDerWaalsContact O-CD2 3.26Å; Q80-H83 PolarHBondContact O-NE2 2.84Å | ||
| 81 | S | 74.7 | Confident | 87.3 | Confident | 127 Ų | 127 | 67.9 Ų | 67.9 | 89% | 0.888 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -66.4 | -11.1 | -172.8 | -42.4 | 0 | 0 | 0 | 0 | 115.8 | A79 | A79-S81 PolarHBondContact O-N 2.85Š|
| 82 | R | 85.3 | Confident | 87.4 | Confident | 151 Ų | 151 | 65.5 Ų | 65.5 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | trans | -140.7 | 119.4 | 177.9 | -172.2 | 177 | -176.1 | -81.4 | -5.8 | 110.9 | Q80 E84 T89 | Q80-R82 PolarHBondContact O-N 3.2Å; R82-E84 IonicContact CZ-OE2 3.15Å; R82-E84 IonicContact NH1-OE2 3.7Å; R82-E84 PolarHBondContact NH1-OE2 2.72Å; R82-E84 IonicContact NH2-OE2 3.77Å; R82-E84 PolarHBondContact NH2-OE2 3.3Å; R82-T89 HydrophobicContact CG-CG2 4.24Å; R82-T89 PolarHBondContact NH2-OG1 2.68Å | ||
| 83 | H | 87.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 145 | 171.7 | -67.9 | -90.3 | 0 | 0 | 0 | 110.6 | Y39 Y43 V77 Q80 T89 I90 P92 | Y39-H83 HydrophobicContact CE1-CB 4.25Å; Y39-H83 AromaticContact CE1-ND1 3.53Å; Y39-H83 AromaticContact CZ-ND1 3.75Å; Y39-H83 PolarHBondContact OH-ND1 2.79Å; Y39-H83 VanDerWaalsContact OH-ND1 3.07Å; Y43-H83 AromaticContact CE1-CE1 3.85Å; Y43-H83 AromaticContact CE2-CE1 3.96Å; Y43-H83 AromaticContact CZ-CE1 3.52Å; Y43-H83 AromaticContact CZ-ND1 3.73Å; Y43-H83 PolarHBondContact OH-ND1 2.74Å; V77-H83 PolarHBondContact O-NE2 2.85Å; Q80-H83 PolarHBondContact O-CD2 3.37Å; Q80-H83 VanDerWaalsContact O-CD2 3.26Å; Q80-H83 PolarHBondContact O-NE2 2.84Å; H83-T89 VanDerWaalsContact O-CA 3.31Å; H83-T89 WeakPolarHBondContact O-CA 2.99Å; H83-T89 WeakPolarHBondContact O-CG2 3.22Å; H83-I90 HydrophobicContact CB-CD1 3.89Å; H83-I90 HydrophobicContact CB-CG1 3.33Å; H83-I90 PolarHBondContact O-N 2.95Å; H83-P92 WeakPolarHBondContact CD2-CG 3.33Å |
| 84 | E | 89 | Confident | 87.3 | Confident | 79 Ų | 79 | 71.2 Ų | 71.2 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 133.1 | 179 | -166.9 | 174.6 | 155.3 | 0 | 0 | 109.9 | Y39 R82 K88 | Y39-E84 WeakPolarHBondContact CE2-O 3.31Å; R82-E84 IonicContact CZ-OE2 3.15Å; R82-E84 IonicContact NH1-OE2 3.7Å; R82-E84 PolarHBondContact NH1-OE2 2.72Å; R82-E84 IonicContact NH2-OE2 3.77Å; R82-E84 PolarHBondContact NH2-OE2 3.3Å; E84-K88 WeakPolarHBondContact CA-O 3.42Å |
| 85 | L | 87.4 | Confident | 86.8 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 10% | 0.099 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 135.2 | -178.8 | -174.9 | 63.9 | 0 | 0 | 0 | 108 | L27 T31 L36 Y39 S87 K88 I90 | L27-L85 HydrophobicContact CD2-CD2 4.45Å; T31-L85 HydrophobicContact CG2-CD2 3.64Å; T31-L85 HydrophobicContact CG2-CG 4.44Å; L36-L85 HydrophobicContact CD1-CD2 3.91Å; Y39-L85 HydrophobicContact CD2-CD1 3.9Å; Y39-L85 HydrophobicContact CG-CD1 4.03Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 2.87Å; L85-K88 PolarHBondContact N-O 3.16Å; L85-K88 WeakPolarHBondContact O-CA 3.35Å; L85-K88 WeakPolarHBondContact O-CB 3.45Å; L85-K88 PolarHBondContact O-N 2.6Å; L85-I90 HydrophobicContact CB-CD1 4.21Å; L85-I90 HydrophobicContact CB-CG2 3.96Å |
| 86 | D | 83.8 | Confident | 86 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 43 | -178.1 | -49.2 | -32.3 | 0 | 0 | 0 | 113.5 | T31 K88 | T31-D86 WeakPolarHBondContact CA-OD2 3.2Å; T31-D86 VanDerWaalsContact CB-OD2 3.3Å; T31-D86 WeakPolarHBondContact CB-OD2 3.37Å; T31-D86 PolarHBondContact OG1-OD2 3.17Å; D86-K88 PolarHBondContact O-N 3.49Å |
| 87 | S | 85.8 | Confident | 84.7 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 82% | 0.818 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 25.6 | -174.7 | -52.1 | 0 | 0 | 0 | 0 | 114.8 | L85 | L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 2.87Å |
| 88 | K | 89 | Confident | 83.1 | Confident | 84 Ų | 84 | 82.5 Ų | 82.5 | 37% | 0.365 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130.8 | -178.4 | -162.2 | 163.4 | 178.8 | -80.9 | 0 | 110.4 | G26 L27 E84 L85 D86 I90 | G26-K88 VanDerWaalsContact C-NZ 3.27Å; G26-K88 PolarHBondContact O-NZ 3.23Å; L27-K88 PolarHBondContact O-NZ 2.94Å; E84-K88 WeakPolarHBondContact CA-O 3.42Å; L85-K88 PolarHBondContact N-O 3.16Å; L85-K88 WeakPolarHBondContact O-CA 3.35Å; L85-K88 WeakPolarHBondContact O-CB 3.45Å; L85-K88 PolarHBondContact O-N 2.6Å; D86-K88 PolarHBondContact O-N 3.49Å; K88-I90 PolarHBondContact O-N 3.38Å |
| 89 | T | 90 | Very high | 81.4 | Confident | 76 Ų | 76 | 85.9 Ų | 85.9 | 47% | 0.466 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 126.9 | 177.3 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | R82 H83 | R82-T89 HydrophobicContact CG-CG2 4.24Å; R82-T89 PolarHBondContact NH2-OG1 2.68Å; H83-T89 VanDerWaalsContact O-CA 3.31Å; H83-T89 WeakPolarHBondContact O-CA 2.99Å; H83-T89 WeakPolarHBondContact O-CG2 3.22Å |
| 90 | I | 91.8 | Very high | 79.7 | Confident | 6 Ų | 6 | 85.5 Ų | 85.5 | 3% | 0.031 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.7 | 179.8 | 71.1 | 178.7 | 0 | 0 | 0 | 109.6 | I24 G25 L27 Y39 F40 H83 L85 K88 P92 | I24-I90 HydrophobicContact CG2-CB 4.2Å; I24-I90 HydrophobicContact CG2-CD1 4Å; I24-I90 HydrophobicContact CG2-CG1 4.36Å; G25-I90 WeakPolarHBondContact O-CA 3.3Å; L27-I90 HydrophobicContact CD2-CB 4.25Å; L27-I90 HydrophobicContact CD2-CG2 3.74Å; Y39-I90 HydrophobicContact CD1-CD1 4.2Å; Y39-I90 HydrophobicContact CE1-CD1 3.95Å; F40-I90 HydrophobicContact CE2-CD1 4Å; F40-I90 HydrophobicContact CZ-CD1 3.7Å; H83-I90 HydrophobicContact CB-CD1 3.89Å; H83-I90 HydrophobicContact CB-CG1 3.33Å; H83-I90 PolarHBondContact O-N 2.95Å; L85-I90 HydrophobicContact CB-CD1 4.21Å; L85-I90 HydrophobicContact CB-CG2 3.96Å; K88-I90 PolarHBondContact O-N 3.38Å; I90-P92 VanDerWaalsContact O-CD 3.31Å; I90-P92 WeakPolarHBondContact O-CD 3.24Å |
| 91 | D | 88.8 | Confident | 77.8 | Confident | 97 Ų | 97 | 88 Ų | 88 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 88.9 | -176.1 | -174.8 | -116.8 | 0 | 0 | 0 | 109.3 | G25 | G25-D91 PolarHBondContact N-O 3.4Å; G25-D91 PolarHBondContact O-N 2.92Å |
| 92 | P | 89.1 | Confident | 76.5 | Confident | 19 Ų | 19 | 85.4 Ų | 85.4 | 12% | 0.123 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.8 | 174.2 | 30.7 | -29.8 | 0 | 0 | 0 | 110.3 | M22 F23 I24 F40 V77 H83 I90 | M22-P92 HydrophobicContact CE-CB 4.07Å; F23-P92 WeakPolarHBondContact O-CA 3.37Å; I24-P92 HydrophobicContact CD1-CB 3.81Å; F40-P92 HydrophobicContact CE1-CB 4.39Å; F40-P92 HydrophobicContact CZ-CB 4.34Å; V77-P92 HydrophobicContact CG1-CB 3.48Å; V77-P92 VanDerWaalsContact CG1-CB 3.48Å; V77-P92 HydrophobicContact CG1-CG 3.52Å; H83-P92 WeakPolarHBondContact CD2-CG 3.33Å; I90-P92 VanDerWaalsContact O-CD 3.31Å; I90-P92 WeakPolarHBondContact O-CD 3.24Å |
| 93 | K | 88.5 | Confident | 74.5 | Confident | 103 Ų | 103 | 86.6 Ų | 86.6 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 153.5 | 175.5 | -166.3 | 165.5 | 67.2 | -172.5 | 0 | 109.8 | M22 F23 A95 | M22-K93 CarbonylContact C-O 3.57Å; M22-K93 WeakPolarHBondContact CA-O 3.38Å; F23-K93 PolarHBondContact N-O 3.19Å; F23-K93 PolarHBondContact O-N 2.95Å; K93-A95 PolarHBondContact O-N 2.83Å |
| 94 | V | 85.1 | Confident | 72.5 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 42% | 0.424 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.2 | 128 | 168.8 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | L78 F96 | L78-V94 HydrophobicContact CD1-CG2 3.72Å; L78-V94 HydrophobicContact CD2-CG2 4.36Å; V94-F96 PolarHBondContact O-N 2.74Å |
| 95 | A | 77.9 | Confident | 70.9 | Confident | 9 Ų | 9 | 94.7 Ų | 94.7 | 7% | 0.074 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 120.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | K21 F23 F65 K93 P97 | K21-A95 HydrophobicContact CB-CB 4.11Å; K21-A95 HydrophobicContact CG-CB 3.96Å; K21-A95 WeakPolarHBondContact O-CB 3.46Å; K21-A95 PolarHBondContact O-N 3.49Å; F23-A95 HydrophobicContact CB-CB 4.41Å; F65-A95 HydrophobicContact CD1-CB 4.32Å; F65-A95 HydrophobicContact CE1-CB 4.47Å; K93-A95 PolarHBondContact O-N 2.83Å; A95-P97 WeakPolarHBondContact O-CD 3.25Å |
| 96 | F | 72 | Confident | 69.5 | Low | 164 Ų | 164 | 94.9 Ų | 94.9 | 72% | 0.719 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 126.2 | 159.8 | -71 | -75.8 | 0 | 0 | 0 | 107.3 | V94 R98 | V94-F96 PolarHBondContact O-N 2.74Å; F96-R98 PolarHBondContact O-N 3.03Å |
| 97 | P | 63.2 | Low | 68.5 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 122.2 | 176.8 | -28.6 | 35 | 0 | 0 | 0 | 108.4 | A95 R99 | A95-P97 WeakPolarHBondContact O-CD 3.25Å; P97-R99 PolarHBondContact O-N 2.81Å |
| 98 | R | 55.6 | Low | 68.2 | Low | 204 Ų | 204 | 92.8 Ų | 92.8 | 77% | 0.77 | 46% | 0.46 | S | S | * | . | trans | -71.5 | 77.8 | 174.4 | -173.3 | -179.4 | -172.8 | -109.2 | 3.7 | 106.2 | F96 A100 | F96-R98 PolarHBondContact O-N 3.03Å; R98-A100 PolarHBondContact O-N 3.13Å | ||
| 99 | R | 53.1 | Low | 68.1 | Low | 151 Ų | 151 | 94.1 Ų | 94.1 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | trans | -44.4 | 111.8 | 166.6 | -59 | -175 | -162.5 | 179.9 | 4.1 | 104.7 | P97 Q101 R107 | P97-R99 PolarHBondContact O-N 2.81Å; R99-Q101 VanDerWaalsContact C-N 3.31Å; R99-Q101 WeakPolarHBondContact O-CA 3.35Å; R99-Q101 PolarHBondContact O-N 3.37Å; R99-R107 VanDerWaalsContact NH1-CD 3.33Å | ||
| 100 | A | 51.3 | Low | 68.1 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | trans | -58.7 | 99.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | R98 P102 | R98-A100 PolarHBondContact O-N 3.13Å; A100-P102 WeakPolarHBondContact O-CD 3.17Å | ||
| 101 | Q | 44.9 | Very low | 68.1 | Low | 145 Ų | 145 | 93.3 Ų | 93.3 | 68% | 0.678 | 46% | 0.455 | S | S | * | . | trans | -48.7 | 103 | -152.3 | -81.8 | -99.4 | -8.8 | 0 | 0 | 111.2 | R99 K103 | R99-Q101 VanDerWaalsContact C-N 3.31Å; R99-Q101 WeakPolarHBondContact O-CA 3.35Å; R99-Q101 PolarHBondContact O-N 3.37Å; Q101-K103 PolarHBondContact O-N 3Å | ||
| 102 | P | 48 | Very low | 68.3 | Low | 74 Ų | 74 | 91.3 Ų | 91.3 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | trans | -67.2 | 106 | 153.6 | 29.5 | -23.6 | 0 | 0 | 0 | 102.6 | A100 L104 | A100-P102 WeakPolarHBondContact O-CD 3.17Å; P102-L104 PolarHBondContact O-N 3.2Å | ||
| 103 | K | 43.4 | Very low | 68.4 | Low | 175 Ų | 175 | 90.5 Ų | 90.5 | 76% | 0.761 | 44% | 0.437 | S | S | * | . | trans | -27.4 | 129.6 | 177.8 | -55.5 | 161.6 | -175.3 | 169.4 | 0 | 109 | Q101 V105 | Q101-K103 PolarHBondContact O-N 3Å; K103-V105 HydrophobicContact CB-CG2 4.45Å; K103-V105 WeakPolarHBondContact O-CA 3.35Å; K103-V105 WeakPolarHBondContact O-CB 3.47Å; K103-V105 VanDerWaalsContact O-CG2 3.28Å; K103-V105 WeakPolarHBondContact O-CG2 3.44Å; K103-V105 PolarHBondContact O-N 2.87Å | ||
| 104 | L | 45.5 | Very low | 68.5 | Low | 172 Ų | 172 | 85.9 Ų | 85.9 | 90% | 0.901 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -39 | 57.7 | -174.1 | -170.5 | 60.5 | 0 | 0 | 0 | 116.7 | P102 | P102-L104 PolarHBondContact O-N 3.2Š|
| 105 | V | 54.5 | Low | 68.8 | Low | 79 Ų | 79 | 84.1 Ų | 84.1 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | trans | -122.6 | 87.9 | -171.2 | 177.3 | 0 | 0 | 0 | 0 | 104.4 | K103 R107 | K103-V105 HydrophobicContact CB-CG2 4.45Å; K103-V105 WeakPolarHBondContact O-CA 3.35Å; K103-V105 WeakPolarHBondContact O-CB 3.47Å; K103-V105 VanDerWaalsContact O-CG2 3.28Å; K103-V105 WeakPolarHBondContact O-CG2 3.44Å; K103-V105 PolarHBondContact O-N 2.87Å; V105-R107 PolarHBondContact O-N 3.1Å | ||
| 106 | T | 57.8 | Low | 69.4 | Low | 23 Ų | 23 | 83.8 Ų | 83.8 | 14% | 0.141 | 41% | 0.411 | C | S | . | . | trans | 53.5 | 66.6 | 149.4 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | T108 K183 P186 | T106-T108 HydrophobicContact CG2-CG2 4.42Å; T106-T108 PolarHBondContact O-N 3.19Å; T106-T108 PolarHBondContact O-OG1 3.25Å; T106-K183 WeakPolarHBondContact OG1-CB 3.45Å; T106-P186 HydrophobicContact CG2-CG 4.43Å | ||
| 107 | R | 63.5 | Low | 70.2 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 47% | 0.468 | 39% | 0.388 | S | S | . | . | trans | -60.4 | 88.4 | 150.2 | -76.6 | -152.2 | 151.8 | -124.7 | -5.5 | 107.7 | R99 V105 E160 | R99-R107 VanDerWaalsContact NH1-CD 3.33Å; V105-R107 PolarHBondContact O-N 3.1Å; R107-E160 WeakPolarHBondContact CA-OE1 3.49Å; R107-E160 WeakPolarHBondContact CB-OE1 3.39Å; R107-E160 WeakPolarHBondContact CD-OE1 3.41Å; R107-E160 WeakPolarHBondContact CG-OE1 3.44Å; R107-E160 IonicContact CZ-OE1 2.69Å; R107-E160 VanDerWaalsContact CZ-OE1 3.24Å; R107-E160 IonicContact CZ-OE2 2.64Å; R107-E160 IonicContact NE-OE1 2.65Å; R107-E160 PolarHBondContact NE-OE1 3.25Å; R107-E160 VanDerWaalsContact NH1-CD 3.28Å; R107-E160 IonicContact NH1-OE1 2.95Å; R107-E160 PolarHBondContact NH1-OE1 2.88Å; R107-E160 VanDerWaalsContact NH1-OE1 3.1Å; R107-E160 IonicContact NH1-OE2 2.68Å; R107-E160 PolarHBondContact NH1-OE2 2.98Å | ||
| 108 | T | 78.3 | Confident | 71.3 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 20% | 0.202 | 39% | 0.388 | C | S | . | . | trans | -132.8 | 137.1 | -170.7 | 47.5 | 0 | 0 | 0 | 0 | 107.8 | T106 K110 | T106-T108 HydrophobicContact CG2-CG2 4.42Å; T106-T108 PolarHBondContact O-N 3.19Å; T106-T108 PolarHBondContact O-OG1 3.25Å; T108-K110 PolarHBondContact O-N 2.83Å; T108-K110 PolarHBondContact OG1-O 2.77Å | ||
| 109 | K | 88.3 | Confident | 72.8 | Confident | 112 Ų | 112 | 74.6 Ų | 74.6 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -72.6 | 2.2 | 171.8 | -64.4 | -167.1 | 178.1 | -159.8 | 0 | 113.1 | T156 F157 E158 | K109-T156 HydrophobicContact CB-CG2 4.15Å; K109-T156 CarbonylContact O-C 3.52Å; K109-T156 WeakPolarHBondContact O-CA 3.25Å; K109-F157 WeakPolarHBondContact CB-O 3.18Å; K109-F157 PolarHBondContact O-N 3.03Å; K109-E158 WeakPolarHBondContact CE-O 3.31Å; K109-E158 PolarHBondContact NZ-O 3.1Å |
| 110 | K | 89.6 | Confident | 74.4 | Confident | 64 Ų | 64 | 67.5 Ų | 67.5 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.7 | -167.4 | -159.9 | 177.7 | -165.5 | 90.7 | 0 | 110.6 | T108 D137 F154 V155 T156 A184 | T108-K110 PolarHBondContact O-N 2.83Å; T108-K110 PolarHBondContact OG1-O 2.77Å; K110-D137 IonicContact NZ-OD2 3.25Å; K110-F154 HydrophobicContact CD-CB 4.27Å; K110-F154 VanDerWaalsContact CE-CB 3.44Å; K110-F154 HydrophobicContact CG-CB 4.19Å; K110-V155 CarbonylContact C-O 3.52Å; K110-V155 VanDerWaalsContact CA-O 3.28Å; K110-V155 WeakPolarHBondContact CA-O 3.49Å; K110-T156 PolarHBondContact NZ-OG1 3.38Å; K110-A184 HydrophobicContact CB-CB 4.02Å; K110-A184 HydrophobicContact CG-CB 4.09Å; K110-A184 WeakPolarHBondContact O-CB 3.39Å; K110-A184 PolarHBondContact O-N 2.75Å |
| 111 | I | 91.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 150.4 | 169.3 | 56.9 | 169.7 | 0 | 0 | 0 | 111 | V113 F129 F154 V155 F157 V163 V166 K182 | I111-V113 HydrophobicContact CD1-CG2 3.51Å; I111-V113 HydrophobicContact CG1-CG2 3.78Å; I111-F129 HydrophobicContact CD1-CD1 4.2Å; I111-F129 HydrophobicContact CD1-CE1 3.82Å; I111-F129 HydrophobicContact CD1-CE2 4.34Å; I111-F129 HydrophobicContact CD1-CZ 3.91Å; I111-F154 WeakPolarHBondContact O-CA 3.49Å; I111-F154 WeakPolarHBondContact O-CB 3.44Å; I111-V155 HydrophobicContact CD1-CB 4.11Å; I111-V155 HydrophobicContact CG1-CB 3.78Å; I111-V155 WeakPolarHBondContact CG1-O 3.39Å; I111-V155 PolarHBondContact N-O 3.05Å; I111-V155 PolarHBondContact O-N 3.48Å; I111-V155 VanDerWaalsContact O-N 3.13Å; I111-F157 HydrophobicContact CD1-CE2 3.7Å; I111-F157 HydrophobicContact CD1-CZ 4.17Å; I111-F157 HydrophobicContact CG1-CE2 3.88Å; I111-F157 HydrophobicContact CG2-CE2 4.38Å; I111-V163 HydrophobicContact CG2-CB 4.24Å; I111-V163 HydrophobicContact CG2-CG1 3.64Å; I111-V163 HydrophobicContact CG2-CG2 4.13Å; I111-V166 HydrophobicContact CD1-CG1 3.84Å; I111-K182 WeakPolarHBondContact CA-O 3.29Å |
| 112 | F | 91.9 | Very high | 78.4 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 25% | 0.246 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.9 | 158.8 | 169.5 | -91.3 | 0 | 0 | 0 | 108.2 | F152 F154 C181 K182 | F112-F152 HydrophobicContact CD2-CD2 4.28Å; F112-F152 HydrophobicContact CE2-CB 3.82Å; F112-F152 AromaticContact CE2-CD2 3.57Å; F112-F152 HydrophobicContact CE2-CD2 3.57Å; F112-F152 HydrophobicContact CE2-CE2 4.35Å; F112-F152 AromaticContact CE2-CG 3.9Å; F112-F152 HydrophobicContact CE2-CG 3.9Å; F112-F152 HydrophobicContact CZ-CB 3.89Å; F112-F152 HydrophobicContact CZ-CD2 4.42Å; F112-F152 HydrophobicContact CZ-CG 4.31Å; F112-F154 HydrophobicContact CB-CD1 4.22Å; F112-F154 HydrophobicContact CB-CE1 4.14Å; F112-F154 HydrophobicContact CD2-CD1 4.42Å; F112-F154 AromaticContact CD2-CE1 3.87Å; F112-F154 HydrophobicContact CD2-CE1 3.87Å; F112-F154 HydrophobicContact CD2-CZ 4.17Å; F112-C181 WeakPolarHBondContact O-CA 3.18Å; F112-K182 HydrophobicContact CD1-CB 4.38Å; F112-K182 PolarHBondContact N-O 2.95Å; F112-K182 PolarHBondContact O-N 3.24Å |
| 113 | V | 91.9 | Very high | 80.4 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 106.5 | -179.9 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | I111 L116 F129 F152 G153 V155 V179 | I111-V113 HydrophobicContact CD1-CG2 3.51Å; I111-V113 HydrophobicContact CG1-CG2 3.78Å; V113-L116 HydrophobicContact CG1-CD1 4.14Å; V113-L116 HydrophobicContact CG1-CD2 3.78Å; V113-L116 HydrophobicContact CG1-CG 4.05Å; V113-F129 HydrophobicContact CG1-CE2 3.94Å; V113-F129 HydrophobicContact CG1-CZ 4.13Å; V113-F129 HydrophobicContact CG2-CE2 3.78Å; V113-F129 HydrophobicContact CG2-CZ 3.93Å; V113-F152 CarbonylContact O-C 3.49Å; V113-F152 WeakPolarHBondContact O-CA 3.3Å; V113-F152 WeakPolarHBondContact O-CB 3.16Å; V113-G153 PolarHBondContact N-O 3.2Å; V113-G153 PolarHBondContact O-N 3.46Å; V113-V155 HydrophobicContact CG2-CB 4.45Å; V113-V155 HydrophobicContact CG2-CG2 3.89Å; V113-V179 HydrophobicContact CG1-CG1 3.3Å |
| 114 | G | 91.9 | Very high | 82.7 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 153.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V179 E180 | G114-V179 CarbonylContact O-C 3.47Å; G114-V179 WeakPolarHBondContact O-CA 3.4Å; G114-V179 VanDerWaalsContact O-CG1 3.28Å; G114-V179 WeakPolarHBondContact O-CG1 3.48Å; G114-E180 PolarHBondContact N-O 3.01Å; G114-E180 PolarHBondContact O-N 3.49Å |
| 115 | G | 90.4 | Very high | 84.8 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | trans | 87 | 11.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G151 K177 | G115-G151 PolarHBondContact N-O 3.43Å; G115-K177 WeakPolarHBondContact O-CD 3.49Å; G115-K177 WeakPolarHBondContact O-CE 3.32Å; G115-K177 PolarHBondContact O-NZ 2.84Å | ||
| 116 | L | 90.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | trans | -54.9 | 146.9 | 176.4 | -63.2 | 169 | 0 | 0 | 0 | 112.4 | V113 T120 V125 L140 G151 I174 K177 V179 | V113-L116 HydrophobicContact CG1-CD1 4.14Å; V113-L116 HydrophobicContact CG1-CD2 3.78Å; V113-L116 HydrophobicContact CG1-CG 4.05Å; L116-T120 HydrophobicContact CD2-CG2 4.1Å; L116-V125 HydrophobicContact CD1-CG2 4.19Å; L116-V125 HydrophobicContact CD2-CG2 3.76Å; L116-L140 HydrophobicContact CD1-CD2 3.35Å; L116-G151 PolarHBondContact N-O 2.99Å; L116-I174 HydrophobicContact CD2-CD1 4.37Å; L116-K177 PolarHBondContact O-NZ 2.65Å; L116-V179 HydrophobicContact CD2-CG1 3.8Å; L116-V179 HydrophobicContact CD2-CG2 3.92Å; L116-V179 HydrophobicContact CG-CG1 4.33Å | ||
| 117 | S | 89.4 | Confident | 88.2 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | trans | -75 | 148.8 | 179.6 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | N119 T120 H149 | S117-N119 PolarHBondContact O-N 2.81Å; S117-T120 WeakPolarHBondContact CB-OG1 3.44Å; S117-T120 PolarHBondContact N-OG1 2.9Å; S117-T120 VanDerWaalsContact O-CB 3.25Å; S117-T120 WeakPolarHBondContact O-CB 3.17Å; S117-T120 PolarHBondContact O-N 3.5Å; S117-T120 PolarHBondContact O-OG1 3.23Å; S117-H149 PolarHBondContact O-CE1 3.42Å; S117-H149 PolarHBondContact O-NE2 3.33Å | ||
| 118 | V | 86.3 | Confident | 89.5 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -17.9 | -174.9 | 175.8 | 0 | 0 | 0 | 0 | 113.9 | R148 H149 | V118-R148 HydrophobicContact CG1-CG 4.07Å; V118-H149 WeakPolarHBondContact CA-CE1 3.48Å; V118-H149 PolarHBondContact O-NE2 2.87Å |
| 119 | N | 86 | Confident | 90.1 | Very high | 138 Ų | 138 | 53 Ų | 53 | 74% | 0.738 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 1.8 | -179.9 | -55.4 | -3.7 | 0 | 0 | 0 | 112.4 | S117 | S117-N119 PolarHBondContact O-N 2.81Š|
| 120 | T | 86.9 | Confident | 90.2 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | trans | -77.1 | 125.8 | -177.3 | -64 | 0 | 0 | 0 | 0 | 110.5 | L116 S117 D124 V125 L140 H149 I174 N175 | L116-T120 HydrophobicContact CD2-CG2 4.1Å; S117-T120 WeakPolarHBondContact CB-OG1 3.44Å; S117-T120 PolarHBondContact N-OG1 2.9Å; S117-T120 VanDerWaalsContact O-CB 3.25Å; S117-T120 WeakPolarHBondContact O-CB 3.17Å; S117-T120 PolarHBondContact O-N 3.5Å; S117-T120 PolarHBondContact O-OG1 3.23Å; T120-D124 HydrophobicContact CG2-CB 4.06Å; T120-V125 HydrophobicContact CG2-CG2 3.63Å; T120-L140 WeakPolarHBondContact O-CD1 3.41Å; T120-H149 PolarHBondContact O-CD2 2.96Å; T120-H149 VanDerWaalsContact O-CD2 3.23Å; T120-H149 PolarHBondContact O-NE2 3.03Å; T120-I174 HydrophobicContact CG2-CG2 4.45Å; T120-N175 PolarHBondContact OG1-ND2 3.02Å | ||
| 121 | T | 90.6 | Very high | 90.2 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | trans | -91.4 | 173.6 | -179.1 | 64.3 | 0 | 0 | 0 | 0 | 112.3 | E123 D124 V125 | T121-E123 VanDerWaalsContact C-N 3.26Å; T121-E123 VanDerWaalsContact CB-OE2 3.3Å; T121-E123 WeakPolarHBondContact CB-OE2 2.98Å; T121-E123 PolarHBondContact OG1-OE2 3.4Å; T121-D124 PolarHBondContact N-OD2 3.22Å; T121-D124 PolarHBondContact OG1-N 2.83Å; T121-D124 PolarHBondContact OG1-OD1 3.42Å; T121-D124 PolarHBondContact OG1-OD2 3.19Å; T121-V125 WeakPolarHBondContact O-CG2 3.08Å; T121-V125 PolarHBondContact O-N 3.28Å | ||
| 122 | I | 89.6 | Confident | 90 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.5 | -34.5 | 174.7 | -66.4 | 161.1 | 0 | 0 | 0 | 109.3 | V125 K126 A138 L140 | I122-V125 PolarHBondContact O-N 3.35Å; I122-K126 WeakPolarHBondContact O-CB 3.33Å; I122-K126 PolarHBondContact O-N 3.17Å; I122-A138 HydrophobicContact CG2-CB 3.96Å; I122-A138 WeakPolarHBondContact CG2-O 3.44Å; I122-L140 HydrophobicContact CG1-CB 4.19Å; I122-L140 HydrophobicContact CG1-CD1 3.91Å; I122-L140 HydrophobicContact CG1-CG 3.71Å |
| 123 | E | 90.6 | Very high | 89.8 | Confident | 129 Ų | 129 | 55.6 Ų | 55.6 | 60% | 0.603 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62 | -49.7 | 178.5 | -64.7 | 74.6 | -171.5 | 0 | 0 | 111.1 | T121 V125 K126 Q127 | T121-E123 VanDerWaalsContact C-N 3.26Å; T121-E123 VanDerWaalsContact CB-OE2 3.3Å; T121-E123 WeakPolarHBondContact CB-OE2 2.98Å; T121-E123 PolarHBondContact OG1-OE2 3.4Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.09Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-Q127 WeakPolarHBondContact O-CB 3.46Å; E123-Q127 PolarHBondContact O-N 3.02Å |
| 124 | D | 90.5 | Very high | 89.8 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 176.5 | -58.1 | -36 | 0 | 0 | 0 | 111.6 | T120 T121 Q127 Y128 N175 | T120-D124 HydrophobicContact CG2-CB 4.06Å; T121-D124 PolarHBondContact N-OD2 3.22Å; T121-D124 PolarHBondContact OG1-N 2.83Å; T121-D124 PolarHBondContact OG1-OD1 3.42Å; T121-D124 PolarHBondContact OG1-OD2 3.19Å; D124-Q127 PolarHBondContact O-N 3.41Å; D124-Y128 WeakPolarHBondContact O-CB 3.39Å; D124-Y128 PolarHBondContact O-N 3.44Å; D124-N175 PolarHBondContact OD2-ND2 3.27Å; D124-N175 VanDerWaalsContact OD2-ND2 3.09Å |
| 125 | V | 90.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 179.4 | 168.8 | 0 | 0 | 0 | 0 | 110.1 | L116 T120 T121 I122 E123 Y128 F129 L140 V155 | L116-V125 HydrophobicContact CD1-CG2 4.19Å; L116-V125 HydrophobicContact CD2-CG2 3.76Å; T120-V125 HydrophobicContact CG2-CG2 3.63Å; T121-V125 WeakPolarHBondContact O-CG2 3.08Å; T121-V125 PolarHBondContact O-N 3.28Å; I122-V125 PolarHBondContact O-N 3.35Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.09Å; V125-Y128 PolarHBondContact O-N 3.03Å; V125-F129 HydrophobicContact CG1-CD2 3.71Å; V125-F129 HydrophobicContact CG1-CE2 3.88Å; V125-F129 WeakPolarHBondContact O-CD2 3.03Å; V125-F129 PolarHBondContact O-N 2.75Å; V125-L140 HydrophobicContact CG2-CD2 4.39Å; V125-V155 HydrophobicContact CG1-CG2 3.6Å |
| 126 | K | 91.3 | Very high | 89.9 | Confident | 99 Ų | 99 | 65.2 Ų | 65.2 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 178 | -174.8 | 172.6 | -178.8 | 173.4 | 0 | 111.1 | I122 E123 Y128 F129 D130 V135 | I122-K126 WeakPolarHBondContact O-CB 3.33Å; I122-K126 PolarHBondContact O-N 3.17Å; E123-K126 PolarHBondContact O-N 3.39Å; K126-Y128 VanDerWaalsContact C-N 3.33Å; K126-Y128 PolarHBondContact O-N 3.07Å; K126-F129 PolarHBondContact O-N 3.15Å; K126-D130 WeakPolarHBondContact O-CB 3.47Å; K126-D130 PolarHBondContact O-N 2.83Å; K126-V135 HydrophobicContact CG-CB 4.16Å; K126-V135 HydrophobicContact CG-CG1 4.21Å |
| 127 | Q | 91.6 | Very high | 89.8 | Confident | 152 Ų | 152 | 68.6 Ų | 68.6 | 71% | 0.71 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.4 | -42.5 | 179.9 | -177.2 | 176 | -5.9 | 0 | 0 | 112 | E123 D124 | E123-Q127 WeakPolarHBondContact O-CB 3.46Å; E123-Q127 PolarHBondContact O-N 3.02Å; D124-Q127 PolarHBondContact O-N 3.41Å |
| 128 | Y | 91.1 | Very high | 89.8 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 176.3 | -178.6 | -92.8 | 0 | 0 | 0 | 112.6 | D124 V125 K126 Q131 F132 H172 E173 I174 | D124-Y128 WeakPolarHBondContact O-CB 3.39Å; D124-Y128 PolarHBondContact O-N 3.44Å; V125-Y128 PolarHBondContact O-N 3.03Å; K126-Y128 VanDerWaalsContact C-N 3.33Å; K126-Y128 PolarHBondContact O-N 3.07Å; Y128-Q131 VanDerWaalsContact CE2-NE2 3.31Å; Y128-Q131 WeakPolarHBondContact O-CG 3.29Å; Y128-Q131 PolarHBondContact O-NE2 3.4Å; Y128-F132 HydrophobicContact CD1-CE2 4.18Å; Y128-F132 AromaticContact CE1-CE2 3.58Å; Y128-F132 HydrophobicContact CE1-CE2 3.58Å; Y128-F132 HydrophobicContact CE1-CZ 4.3Å; Y128-F132 AromaticContact CZ-CE2 3.93Å; Y128-H172 HydrophobicContact CE1-CB 3.64Å; Y128-H172 AromaticContact CE1-CG 3.8Å; Y128-H172 AromaticContact CE1-ND1 3.44Å; Y128-H172 WeakPolarHBondContact CE1-ND1 3.44Å; Y128-H172 AromaticContact CZ-ND1 3.66Å; Y128-H172 WeakPolarHBondContact OH-CB 3.34Å; Y128-H172 PolarHBondContact OH-ND1 2.89Å; Y128-E173 WeakPolarHBondContact CE2-O 3.36Å; Y128-I174 HydrophobicContact CD1-CD1 3.47Å; Y128-I174 VanDerWaalsContact CD1-CD1 3.47Å; Y128-I174 HydrophobicContact CD1-CG1 3.67Å; Y128-I174 HydrophobicContact CD2-CG1 4.06Å; Y128-I174 HydrophobicContact CE1-CD1 3.98Å; Y128-I174 HydrophobicContact CE1-CG1 3.9Å; Y128-I174 HydrophobicContact CE2-CG1 4.27Å; Y128-I174 HydrophobicContact CG-CD1 3.86Å; Y128-I174 HydrophobicContact CG-CG1 3.76Å |
| 129 | F | 90.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -77.7 | -25.2 | -179.7 | -77.1 | -60.8 | 0 | 0 | 0 | 114.1 | I111 V113 V125 K126 Q131 F132 G133 V135 V155 F157 V166 I174 | I111-F129 HydrophobicContact CD1-CD1 4.2Å; I111-F129 HydrophobicContact CD1-CE1 3.82Å; I111-F129 HydrophobicContact CD1-CE2 4.34Å; I111-F129 HydrophobicContact CD1-CZ 3.91Å; V113-F129 HydrophobicContact CG1-CE2 3.94Å; V113-F129 HydrophobicContact CG1-CZ 4.13Å; V113-F129 HydrophobicContact CG2-CE2 3.78Å; V113-F129 HydrophobicContact CG2-CZ 3.93Å; V125-F129 HydrophobicContact CG1-CD2 3.71Å; V125-F129 HydrophobicContact CG1-CE2 3.88Å; V125-F129 WeakPolarHBondContact O-CD2 3.03Å; V125-F129 PolarHBondContact O-N 2.75Å; K126-F129 PolarHBondContact O-N 3.15Å; F129-Q131 PolarHBondContact O-N 2.64Å; F129-F132 HydrophobicContact CD1-CD2 4.13Å; F129-F132 PolarHBondContact O-N 2.94Å; F129-G133 PolarHBondContact O-N 2.97Å; F129-V135 HydrophobicContact CB-CG2 3.81Å; F129-V155 HydrophobicContact CB-CG1 4.43Å; F129-V155 HydrophobicContact CD2-CG1 4.46Å; F129-V155 HydrophobicContact CD2-CG2 3.88Å; F129-V155 HydrophobicContact CE2-CG2 4.19Å; F129-F157 HydrophobicContact CB-CE1 3.92Å; F129-F157 HydrophobicContact CB-CZ 3.84Å; F129-F157 AromaticContact CD1-CZ 3.85Å; F129-F157 HydrophobicContact CD1-CZ 3.85Å; F129-F157 HydrophobicContact CG-CZ 4Å; F129-V166 HydrophobicContact CD1-CG1 4.37Å; F129-V166 HydrophobicContact CD1-CG2 4.44Å; F129-V166 HydrophobicContact CE1-CG1 3.78Å; F129-I174 HydrophobicContact CE2-CD1 4.1Å; F129-I174 HydrophobicContact CZ-CD1 4.3Å |
| 130 | D | 90.6 | Very high | 90.2 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -28.5 | 177.3 | -150.9 | 53 | 0 | 0 | 0 | 112.4 | K126 F132 G133 | K126-D130 WeakPolarHBondContact O-CB 3.47Å; K126-D130 PolarHBondContact O-N 2.83Å; D130-F132 PolarHBondContact O-N 3.13Å; D130-G133 PolarHBondContact O-N 3.25Å |
| 131 | Q | 89.2 | Confident | 90.3 | Very high | 125 Ų | 125 | 64.9 Ų | 64.9 | 58% | 0.584 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22 | 175.2 | 89.2 | -160.8 | -5.2 | 0 | 0 | 113.7 | Y128 F129 | Y128-Q131 VanDerWaalsContact CE2-NE2 3.31Å; Y128-Q131 WeakPolarHBondContact O-CG 3.29Å; Y128-Q131 PolarHBondContact O-NE2 3.4Å; F129-Q131 PolarHBondContact O-N 2.64Å |
| 132 | F | 87.4 | Confident | 90.1 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -27.9 | 174 | -60.1 | -81.5 | 0 | 0 | 0 | 111.8 | Y128 F129 D130 V162 V166 I169 H172 | Y128-F132 HydrophobicContact CD1-CE2 4.18Å; Y128-F132 AromaticContact CE1-CE2 3.58Å; Y128-F132 HydrophobicContact CE1-CE2 3.58Å; Y128-F132 HydrophobicContact CE1-CZ 4.3Å; Y128-F132 AromaticContact CZ-CE2 3.93Å; F129-F132 HydrophobicContact CD1-CD2 4.13Å; F129-F132 PolarHBondContact O-N 2.94Å; D130-F132 PolarHBondContact O-N 3.13Å; F132-V162 HydrophobicContact CB-CG1 3.87Å; F132-V166 HydrophobicContact CB-CG2 3.88Å; F132-V166 HydrophobicContact CD1-CG2 4.2Å; F132-V166 HydrophobicContact CD2-CG2 4.14Å; F132-V166 HydrophobicContact CG-CG2 3.82Å; F132-I169 HydrophobicContact CE1-CD1 3.76Å; F132-I169 HydrophobicContact CZ-CD1 4.42Å; F132-H172 AromaticContact CE2-CE1 3.84Å; F132-H172 AromaticContact CE2-ND1 3.76Å; F132-H172 AromaticContact CZ-CE1 3.48Å; F132-H172 VanDerWaalsContact CZ-CE1 3.48Å; F132-H172 WeakPolarHBondContact CZ-CE1 3.47Å; F132-H172 AromaticContact CZ-ND1 3.55Å |
| 133 | G | 88.4 | Confident | 90.1 | Very high | 18 Ų | 18 | 66.8 Ų | 66.8 | 19% | 0.186 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 162.2 | 164.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F129 D130 V135 F157 | F129-G133 PolarHBondContact O-N 2.97Å; D130-G133 PolarHBondContact O-N 3.25Å; G133-V135 PolarHBondContact O-N 2.55Å; G133-F157 WeakPolarHBondContact O-CD1 3.49Å |
| 134 | K | 92.3 | Very high | 90 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 52% | 0.517 | 34% | 0.341 | S | S | . | . | trans | -55.4 | 119 | -172.1 | -179.7 | 154.7 | 160 | -104.1 | 0 | 113.1 | E158 | K134-E158 WeakPolarHBondContact CD-OE2 3.41Å; K134-E158 WeakPolarHBondContact CE-OE2 3.2Å; K134-E158 WeakPolarHBondContact CG-OE2 3.31Å; K134-E158 IonicContact NZ-OE1 2.71Å; K134-E158 PolarHBondContact NZ-OE1 3.48Å; K134-E158 IonicContact NZ-OE2 2.7Å; K134-E158 PolarHBondContact NZ-OE2 3Å; K134-E158 PolarHBondContact O-N 3.39Å | ||
| 135 | V | 92.6 | Very high | 89.8 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124 | 176.7 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | K126 F129 G133 A138 V155 F157 | K126-V135 HydrophobicContact CG-CB 4.16Å; K126-V135 HydrophobicContact CG-CG1 4.21Å; F129-V135 HydrophobicContact CB-CG2 3.81Å; G133-V135 PolarHBondContact O-N 2.55Å; V135-A138 HydrophobicContact CG1-CB 4.22Å; V135-V155 HydrophobicContact CB-CG1 4.47Å; V135-V155 HydrophobicContact CG1-CG1 3.66Å; V135-V155 HydrophobicContact CG2-CG1 4Å; V135-F157 HydrophobicContact CG2-CD1 4.03Å; V135-F157 HydrophobicContact CG2-CE1 3.79Å |
| 136 | D | 91.4 | Very high | 89.6 | Confident | 115 Ų | 115 | 77.6 Ų | 77.6 | 62% | 0.615 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -48.6 | 178.7 | -171.8 | 58 | 0 | 0 | 0 | 111.1 | T156 | D136-T156 WeakPolarHBondContact CB-O 3.28Å; D136-T156 PolarHBondContact N-O 3.03Å |
| 137 | D | 88.4 | Confident | 89.3 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 145.7 | -179.8 | 166.8 | 49.4 | 0 | 0 | 0 | 110.9 | K110 T156 | K110-D137 IonicContact NZ-OD2 3.25Å; D137-T156 PolarHBondContact N-O 3.36Å; D137-T156 VanDerWaalsContact N-O 3.13Å; D137-T156 PolarHBondContact O-N 2.75Å |
| 138 | A | 90.4 | Very high | 89 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 121.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I122 V135 V155 | I122-A138 HydrophobicContact CG2-CB 3.96Å; I122-A138 WeakPolarHBondContact CG2-O 3.44Å; V135-A138 HydrophobicContact CG1-CB 4.22Å; A138-V155 HydrophobicContact CB-CG2 4.36Å |
| 139 | M | 88.9 | Confident | 88.8 | Confident | 82 Ų | 82 | 77.8 Ų | 77.8 | 40% | 0.404 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 114 | -173.8 | -174.9 | -175.1 | 64.6 | 0 | 0 | 111.1 | M141 G153 F154 | M139-M141 HydrophobicContact CE-SD 3.68Å; M139-G153 CarbonylContact O-C 3.5Å; M139-G153 WeakPolarHBondContact O-CA 3.48Å; M139-F154 HydrophobicContact CE-CD2 4.12Å; M139-F154 PolarHBondContact N-O 2.97Å; M139-F154 PolarHBondContact O-N 3.34Å |
| 140 | L | 91 | Very high | 88.6 | Confident | 10 Ų | 10 | 85 Ų | 85 | 5% | 0.052 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 142.6 | 167.5 | -63.8 | -173.4 | 0 | 0 | 0 | 110.8 | L116 T120 I122 V125 F142 H149 | L116-L140 HydrophobicContact CD1-CD2 3.35Å; T120-L140 WeakPolarHBondContact O-CD1 3.41Å; I122-L140 HydrophobicContact CG1-CB 4.19Å; I122-L140 HydrophobicContact CG1-CD1 3.91Å; I122-L140 HydrophobicContact CG1-CG 3.71Å; V125-L140 HydrophobicContact CG2-CD2 4.39Å; L140-F142 HydrophobicContact CB-CD2 4.45Å; L140-F142 HydrophobicContact CB-CE2 3.7Å; L140-F142 HydrophobicContact CB-CZ 3.98Å; L140-F142 VanDerWaalsContact O-CD2 3.25Å; L140-F142 WeakPolarHBondContact O-CD2 3.48Å; L140-F142 WeakPolarHBondContact O-CE2 3.28Å; L140-H149 HydrophobicContact CB-CB 4.49Å |
| 141 | M | 88.8 | Confident | 88.5 | Confident | 59 Ų | 59 | 81.7 Ų | 81.7 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 113.4 | -178.9 | -67.9 | -70.7 | -84.1 | 0 | 0 | 109.7 | M139 R150 F152 F154 | M139-M141 HydrophobicContact CE-SD 3.68Å; M141-R150 VanDerWaalsContact O-CB 3.31Å; M141-R150 WeakPolarHBondContact O-CB 3.45Å; M141-R150 VanDerWaalsContact O-CG 3.31Å; M141-R150 WeakPolarHBondContact O-CG 3.21Å; M141-R150 PolarHBondContact O-N 3.4Å; M141-F152 HydrophobicContact CB-CD2 4.11Å; M141-F152 HydrophobicContact CB-CE1 4.4Å; M141-F152 HydrophobicContact CB-CE2 3.69Å; M141-F152 HydrophobicContact CB-CZ 3.84Å; M141-F152 HydrophobicContact CG-CD2 4Å; M141-F152 HydrophobicContact CG-CE2 3.55Å; M141-F152 HydrophobicContact CG-CZ 4.15Å; M141-F152 PolarHBondContact N-O 2.88Å; M141-F152 VanDerWaalsContact N-O 3.1Å; M141-F154 HydrophobicContact CE-CE2 4.47Å; M141-F154 HydrophobicContact CG-CD2 4.21Å; M141-F154 HydrophobicContact CG-CE2 3.98Å; M141-F154 HydrophobicContact SD-CE2 4.31Å |
| 142 | F | 88.1 | Confident | 88.7 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 148.4 | -178.2 | -63.4 | -95.9 | 0 | 0 | 0 | 113.1 | L140 N147 H149 | L140-F142 HydrophobicContact CB-CD2 4.45Å; L140-F142 HydrophobicContact CB-CE2 3.7Å; L140-F142 HydrophobicContact CB-CZ 3.98Å; L140-F142 VanDerWaalsContact O-CD2 3.25Å; L140-F142 WeakPolarHBondContact O-CD2 3.48Å; L140-F142 WeakPolarHBondContact O-CE2 3.28Å; F142-N147 WeakPolarHBondContact CD1-O 3.09Å; F142-H149 HydrophobicContact CD1-CB 3.81Å; F142-H149 HydrophobicContact CE1-CB 3.72Å; F142-H149 HydrophobicContact CG-CB 4.41Å; F142-H149 HydrophobicContact CZ-CB 4.25Å |
| 143 | D | 88.8 | Confident | 88.9 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | trans | -77.8 | 124.7 | 167.3 | 170 | 15.1 | 0 | 0 | 0 | 109 | T145 T146 N147 R148 R150 | D143-T145 VanDerWaalsContact CG-OG1 3.29Å; D143-T145 PolarHBondContact O-N 2.98Å; D143-T145 PolarHBondContact OD1-N 3.47Å; D143-T145 PolarHBondContact OD1-OG1 3.49Å; D143-T145 PolarHBondContact OD2-OG1 2.83Å; D143-T146 WeakPolarHBondContact OD2-CB 3.39Å; D143-T146 WeakPolarHBondContact OD2-CG2 3.22Å; D143-T146 PolarHBondContact OD2-N 3.2Å; D143-T146 PolarHBondContact OD2-OG1 3Å; D143-N147 VanDerWaalsContact O-CA 3.26Å; D143-N147 WeakPolarHBondContact O-CA 3.36Å; D143-N147 PolarHBondContact O-N 3.22Å; D143-R148 PolarHBondContact N-O 3.18Å; D143-R150 HydrophobicContact CB-CG 4.12Å | ||
| 144 | K | 87.6 | Confident | 89.1 | Confident | 204 Ų | 204 | 76.4 Ų | 76.4 | 89% | 0.887 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -12.8 | -174.6 | -150.8 | 174.5 | -174.4 | -179 | 0 | 113.4 | ||
| 145 | T | 87.7 | Confident | 89.1 | Confident | 116 Ų | 116 | 70.8 Ų | 70.8 | 71% | 0.712 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -42.8 | 179.5 | 64 | 0 | 0 | 0 | 0 | 112.7 | D143 | D143-T145 VanDerWaalsContact CG-OG1 3.29Å; D143-T145 PolarHBondContact O-N 2.98Å; D143-T145 PolarHBondContact OD1-N 3.47Å; D143-T145 PolarHBondContact OD1-OG1 3.49Å; D143-T145 PolarHBondContact OD2-OG1 2.83Å |
| 146 | T | 85.8 | Confident | 89.1 | Confident | 84 Ų | 84 | 71.4 Ų | 71.4 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -8.8 | -176.8 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | D143 R148 | D143-T146 WeakPolarHBondContact OD2-CB 3.39Å; D143-T146 WeakPolarHBondContact OD2-CG2 3.22Å; D143-T146 PolarHBondContact OD2-N 3.2Å; D143-T146 PolarHBondContact OD2-OG1 3Å; T146-R148 PolarHBondContact O-N 3.35Å; T146-R148 WeakPolarHBondContact OG1-CB 3.15Å; T146-R148 PolarHBondContact OG1-N 3.49Å |
| 147 | N | 84.7 | Confident | 89.2 | Confident | 131 Ų | 131 | 66 Ų | 66 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | trans | 52.9 | 15 | -168.4 | -70 | -71.7 | 0 | 0 | 0 | 114.7 | F142 D143 | F142-N147 WeakPolarHBondContact CD1-O 3.09Å; D143-N147 VanDerWaalsContact O-CA 3.26Å; D143-N147 WeakPolarHBondContact O-CA 3.36Å; D143-N147 PolarHBondContact O-N 3.22Å | ||
| 148 | R | 84.4 | Confident | 89.3 | Confident | 152 Ų | 152 | 66 Ų | 66 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | trans | -85.3 | 142.8 | 173.2 | -172.2 | 179 | -71.4 | -164 | -1.1 | 109.4 | V118 D143 T146 | V118-R148 HydrophobicContact CG1-CG 4.07Å; D143-R148 PolarHBondContact N-O 3.18Å; T146-R148 PolarHBondContact O-N 3.35Å; T146-R148 WeakPolarHBondContact OG1-CB 3.15Å; T146-R148 PolarHBondContact OG1-N 3.49Å | ||
| 149 | H | 87.6 | Confident | 89.1 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 146.7 | 173.2 | 71.1 | 52.4 | 0 | 0 | 0 | 111 | S117 V118 T120 L140 F142 G151 | S117-H149 PolarHBondContact O-CE1 3.42Å; S117-H149 PolarHBondContact O-NE2 3.33Å; V118-H149 WeakPolarHBondContact CA-CE1 3.48Å; V118-H149 PolarHBondContact O-NE2 2.87Å; T120-H149 PolarHBondContact O-CD2 2.96Å; T120-H149 VanDerWaalsContact O-CD2 3.23Å; T120-H149 PolarHBondContact O-NE2 3.03Å; L140-H149 HydrophobicContact CB-CB 4.49Å; F142-H149 HydrophobicContact CD1-CB 3.81Å; F142-H149 HydrophobicContact CE1-CB 3.72Å; F142-H149 HydrophobicContact CG-CB 4.41Å; F142-H149 HydrophobicContact CZ-CB 4.25Å; H149-G151 PolarHBondContact ND1-N 3.39Å; H149-G151 PolarHBondContact O-N 3.23Å; H149-G151 VanDerWaalsContact O-N 3.11Å |
| 150 | R | 87 | Confident | 88.9 | Confident | 151 Ų | 151 | 67.5 Ų | 67.5 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 8.2 | -174.8 | -63.2 | 172.9 | 63.3 | -169.8 | -3.8 | 113.9 | M141 D143 F152 | M141-R150 VanDerWaalsContact O-CB 3.31Å; M141-R150 WeakPolarHBondContact O-CB 3.45Å; M141-R150 VanDerWaalsContact O-CG 3.31Å; M141-R150 WeakPolarHBondContact O-CG 3.21Å; M141-R150 PolarHBondContact O-N 3.4Å; D143-R150 HydrophobicContact CB-CG 4.12Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 HydrophobicContact CB-CD1 3.74Å; R150-F152 HydrophobicContact CB-CE1 3.49Å; R150-F152 VanDerWaalsContact CB-CE1 3.49Å; R150-F152 HydrophobicContact CB-CZ 4.42Å; R150-F152 HydrophobicContact CG-CE1 4.42Å |
| 151 | G | 88.6 | Confident | 88.7 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 19% | 0.186 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.9 | 13.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G115 L116 H149 | G115-G151 PolarHBondContact N-O 3.43Å; L116-G151 PolarHBondContact N-O 2.99Å; H149-G151 PolarHBondContact ND1-N 3.39Å; H149-G151 PolarHBondContact O-N 3.23Å; H149-G151 VanDerWaalsContact O-N 3.11Å |
| 152 | F | 91.9 | Very high | 88.7 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 18% | 0.18 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.4 | 172.4 | 72.6 | -87.2 | 0 | 0 | 0 | 111.3 | F112 V113 M141 R150 F154 | F112-F152 HydrophobicContact CD2-CD2 4.28Å; F112-F152 HydrophobicContact CE2-CB 3.82Å; F112-F152 AromaticContact CE2-CD2 3.57Å; F112-F152 HydrophobicContact CE2-CD2 3.57Å; F112-F152 HydrophobicContact CE2-CE2 4.35Å; F112-F152 AromaticContact CE2-CG 3.9Å; F112-F152 HydrophobicContact CE2-CG 3.9Å; F112-F152 HydrophobicContact CZ-CB 3.89Å; F112-F152 HydrophobicContact CZ-CD2 4.42Å; F112-F152 HydrophobicContact CZ-CG 4.31Å; V113-F152 CarbonylContact O-C 3.49Å; V113-F152 WeakPolarHBondContact O-CA 3.3Å; V113-F152 WeakPolarHBondContact O-CB 3.16Å; M141-F152 HydrophobicContact CB-CD2 4.11Å; M141-F152 HydrophobicContact CB-CE1 4.4Å; M141-F152 HydrophobicContact CB-CE2 3.69Å; M141-F152 HydrophobicContact CB-CZ 3.84Å; M141-F152 HydrophobicContact CG-CD2 4Å; M141-F152 HydrophobicContact CG-CE2 3.55Å; M141-F152 HydrophobicContact CG-CZ 4.15Å; M141-F152 PolarHBondContact N-O 2.88Å; M141-F152 VanDerWaalsContact N-O 3.1Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 HydrophobicContact CB-CD1 3.74Å; R150-F152 HydrophobicContact CB-CE1 3.49Å; R150-F152 VanDerWaalsContact CB-CE1 3.49Å; R150-F152 HydrophobicContact CB-CZ 4.42Å; R150-F152 HydrophobicContact CG-CE1 4.42Å; F152-F154 HydrophobicContact CD2-CE2 4.49Å; F152-F154 HydrophobicContact CE2-CE2 4.27Å |
| 153 | G | 92.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | -171.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V113 M139 | V113-G153 PolarHBondContact N-O 3.2Å; V113-G153 PolarHBondContact O-N 3.46Å; M139-G153 CarbonylContact O-C 3.5Å; M139-G153 WeakPolarHBondContact O-CA 3.48Å |
| 154 | F | 93.1 | Very high | 88.5 | Confident | 45 Ų | 45 | 65 Ų | 65 | 20% | 0.197 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.4 | 172.1 | -56.1 | -92.9 | 0 | 0 | 0 | 110.1 | K110 I111 F112 M139 M141 F152 A184 | K110-F154 HydrophobicContact CD-CB 4.27Å; K110-F154 VanDerWaalsContact CE-CB 3.44Å; K110-F154 HydrophobicContact CG-CB 4.19Å; I111-F154 WeakPolarHBondContact O-CA 3.49Å; I111-F154 WeakPolarHBondContact O-CB 3.44Å; F112-F154 HydrophobicContact CB-CD1 4.22Å; F112-F154 HydrophobicContact CB-CE1 4.14Å; F112-F154 HydrophobicContact CD2-CD1 4.42Å; F112-F154 AromaticContact CD2-CE1 3.87Å; F112-F154 HydrophobicContact CD2-CE1 3.87Å; F112-F154 HydrophobicContact CD2-CZ 4.17Å; M139-F154 HydrophobicContact CE-CD2 4.12Å; M139-F154 PolarHBondContact N-O 2.97Å; M139-F154 PolarHBondContact O-N 3.34Å; M141-F154 HydrophobicContact CE-CE2 4.47Å; M141-F154 HydrophobicContact CG-CD2 4.21Å; M141-F154 HydrophobicContact CG-CE2 3.98Å; M141-F154 HydrophobicContact SD-CE2 4.31Å; F152-F154 HydrophobicContact CD2-CE2 4.49Å; F152-F154 HydrophobicContact CE2-CE2 4.27Å; F154-A184 HydrophobicContact CD1-CB 4.09Å; F154-A184 HydrophobicContact CE1-CB 4.37Å |
| 155 | V | 93 | Very high | 88.4 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | K110 I111 V113 V125 F129 V135 A138 F157 | K110-V155 CarbonylContact C-O 3.52Å; K110-V155 VanDerWaalsContact CA-O 3.28Å; K110-V155 WeakPolarHBondContact CA-O 3.49Å; I111-V155 HydrophobicContact CD1-CB 4.11Å; I111-V155 HydrophobicContact CG1-CB 3.78Å; I111-V155 WeakPolarHBondContact CG1-O 3.39Å; I111-V155 PolarHBondContact N-O 3.05Å; I111-V155 PolarHBondContact O-N 3.48Å; I111-V155 VanDerWaalsContact O-N 3.13Å; V113-V155 HydrophobicContact CG2-CB 4.45Å; V113-V155 HydrophobicContact CG2-CG2 3.89Å; V125-V155 HydrophobicContact CG1-CG2 3.6Å; F129-V155 HydrophobicContact CB-CG1 4.43Å; F129-V155 HydrophobicContact CD2-CG1 4.46Å; F129-V155 HydrophobicContact CD2-CG2 3.88Å; F129-V155 HydrophobicContact CE2-CG2 4.19Å; V135-V155 HydrophobicContact CB-CG1 4.47Å; V135-V155 HydrophobicContact CG1-CG1 3.66Å; V135-V155 HydrophobicContact CG2-CG1 4Å; A138-V155 HydrophobicContact CB-CG2 4.36Å; V155-F157 HydrophobicContact CG1-CD2 4.45Å; V155-F157 HydrophobicContact CG1-CE1 4.44Å; V155-F157 HydrophobicContact CG1-CE2 4.06Å; V155-F157 HydrophobicContact CG1-CZ 4.05Å |
| 156 | T | 91.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 13% | 0.129 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.6 | 175.1 | -41.7 | 0 | 0 | 0 | 0 | 107.8 | K109 K110 D136 D137 | K109-T156 HydrophobicContact CB-CG2 4.15Å; K109-T156 CarbonylContact O-C 3.52Å; K109-T156 WeakPolarHBondContact O-CA 3.25Å; K110-T156 PolarHBondContact NZ-OG1 3.38Å; D136-T156 WeakPolarHBondContact CB-O 3.28Å; D136-T156 PolarHBondContact N-O 3.03Å; D137-T156 PolarHBondContact N-O 3.36Å; D137-T156 VanDerWaalsContact N-O 3.13Å; D137-T156 PolarHBondContact O-N 2.75Å |
| 157 | F | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 159 | 175.2 | -66.3 | -86.6 | 0 | 0 | 0 | 111.3 | K109 I111 F129 G133 V135 V155 N159 V162 V163 V166 | K109-F157 WeakPolarHBondContact CB-O 3.18Å; K109-F157 PolarHBondContact O-N 3.03Å; I111-F157 HydrophobicContact CD1-CE2 3.7Å; I111-F157 HydrophobicContact CD1-CZ 4.17Å; I111-F157 HydrophobicContact CG1-CE2 3.88Å; I111-F157 HydrophobicContact CG2-CE2 4.38Å; F129-F157 HydrophobicContact CB-CE1 3.92Å; F129-F157 HydrophobicContact CB-CZ 3.84Å; F129-F157 AromaticContact CD1-CZ 3.85Å; F129-F157 HydrophobicContact CD1-CZ 3.85Å; F129-F157 HydrophobicContact CG-CZ 4Å; G133-F157 WeakPolarHBondContact O-CD1 3.49Å; V135-F157 HydrophobicContact CG2-CD1 4.03Å; V135-F157 HydrophobicContact CG2-CE1 3.79Å; V155-F157 HydrophobicContact CG1-CD2 4.45Å; V155-F157 HydrophobicContact CG1-CE1 4.44Å; V155-F157 HydrophobicContact CG1-CE2 4.06Å; V155-F157 HydrophobicContact CG1-CZ 4.05Å; F157-N159 VanDerWaalsContact C-N 3.34Å; F157-V162 HydrophobicContact CD1-CB 4.22Å; F157-V162 HydrophobicContact CD1-CG1 3.61Å; F157-V162 HydrophobicContact CD2-CG1 4.44Å; F157-V162 HydrophobicContact CE1-CG1 3.58Å; F157-V162 HydrophobicContact CE2-CG1 4.41Å; F157-V162 HydrophobicContact CG-CB 4.28Å; F157-V162 HydrophobicContact CG-CG1 4.04Å; F157-V162 HydrophobicContact CZ-CG1 3.99Å; F157-V163 HydrophobicContact CD2-CG2 3.65Å; F157-V163 HydrophobicContact CE2-CG2 4.32Å; F157-V163 HydrophobicContact CG-CG2 4.46Å; F157-V166 HydrophobicContact CZ-CG2 4.43Å |
| 158 | E | 90.7 | Very high | 88.2 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -66.9 | -38 | 169.9 | -174.1 | 169.3 | -149.2 | 0 | 0 | 111.6 | K109 K134 | K109-E158 WeakPolarHBondContact CE-O 3.31Å; K109-E158 PolarHBondContact NZ-O 3.1Å; K134-E158 WeakPolarHBondContact CD-OE2 3.41Å; K134-E158 WeakPolarHBondContact CE-OE2 3.2Å; K134-E158 WeakPolarHBondContact CG-OE2 3.31Å; K134-E158 IonicContact NZ-OE1 2.71Å; K134-E158 PolarHBondContact NZ-OE1 3.48Å; K134-E158 IonicContact NZ-OE2 2.7Å; K134-E158 PolarHBondContact NZ-OE2 3Å; K134-E158 PolarHBondContact O-N 3.39Å |
| 159 | N | 86.8 | Confident | 88.1 | Confident | 82 Ų | 82 | 49.4 Ų | 49.4 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | trans | -110.9 | 137 | -174.5 | -66.9 | -43 | 0 | 0 | 0 | 112.6 | F157 V162 | F157-N159 VanDerWaalsContact C-N 3.34Å; N159-V162 HydrophobicContact CB-CG2 4.02Å | ||
| 160 | E | 85.6 | Confident | 87.5 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.3 | -34.3 | 178.1 | -162.5 | -163.2 | 144.8 | 0 | 0 | 111.8 | R107 V162 V163 E164 | R107-E160 WeakPolarHBondContact CA-OE1 3.49Å; R107-E160 WeakPolarHBondContact CB-OE1 3.39Å; R107-E160 WeakPolarHBondContact CD-OE1 3.41Å; R107-E160 WeakPolarHBondContact CG-OE1 3.44Å; R107-E160 IonicContact CZ-OE1 2.69Å; R107-E160 VanDerWaalsContact CZ-OE1 3.24Å; R107-E160 IonicContact CZ-OE2 2.64Å; R107-E160 IonicContact NE-OE1 2.65Å; R107-E160 PolarHBondContact NE-OE1 3.25Å; R107-E160 VanDerWaalsContact NH1-CD 3.28Å; R107-E160 IonicContact NH1-OE1 2.95Å; R107-E160 PolarHBondContact NH1-OE1 2.88Å; R107-E160 VanDerWaalsContact NH1-OE1 3.1Å; R107-E160 IonicContact NH1-OE2 2.68Å; R107-E160 PolarHBondContact NH1-OE2 2.98Å; E160-V162 PolarHBondContact O-N 2.85Å; E160-V163 VanDerWaalsContact O-CB 3.29Å; E160-V163 WeakPolarHBondContact O-CB 3.48Å; E160-V163 PolarHBondContact O-N 2.86Å; E160-E164 PolarHBondContact O-N 2.95Å |
| 161 | D | 85.5 | Confident | 87.6 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.2 | -21.1 | -174.5 | -43.5 | -68.6 | 0 | 0 | 0 | 112.9 | K165 | D161-K165 WeakPolarHBondContact O-CG 3.4Å; D161-K165 PolarHBondContact O-N 3.42Å |
| 162 | V | 88.2 | Confident | 87.6 | Confident | 12 Ų | 12 | 51 Ų | 51 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.5 | -38 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | F132 F157 N159 E160 E164 K165 V166 | F132-V162 HydrophobicContact CB-CG1 3.87Å; F157-V162 HydrophobicContact CD1-CB 4.22Å; F157-V162 HydrophobicContact CD1-CG1 3.61Å; F157-V162 HydrophobicContact CD2-CG1 4.44Å; F157-V162 HydrophobicContact CE1-CG1 3.58Å; F157-V162 HydrophobicContact CE2-CG1 4.41Å; F157-V162 HydrophobicContact CG-CB 4.28Å; F157-V162 HydrophobicContact CG-CG1 4.04Å; F157-V162 HydrophobicContact CZ-CG1 3.99Å; N159-V162 HydrophobicContact CB-CG2 4.02Å; E160-V162 PolarHBondContact O-N 2.85Å; V162-E164 VanDerWaalsContact C-N 3.3Å; V162-E164 PolarHBondContact O-N 2.8Å; V162-K165 PolarHBondContact O-N 2.76Å; V162-V166 HydrophobicContact CG1-CG2 4.33Å; V162-V166 WeakPolarHBondContact O-CB 3.25Å; V162-V166 WeakPolarHBondContact O-CG2 3.28Å; V162-V166 PolarHBondContact O-N 2.99Å |
| 163 | V | 87.4 | Confident | 87.4 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | I111 F157 E160 C167 K183 | I111-V163 HydrophobicContact CG2-CB 4.24Å; I111-V163 HydrophobicContact CG2-CG1 3.64Å; I111-V163 HydrophobicContact CG2-CG2 4.13Å; F157-V163 HydrophobicContact CD2-CG2 3.65Å; F157-V163 HydrophobicContact CE2-CG2 4.32Å; F157-V163 HydrophobicContact CG-CG2 4.46Å; E160-V163 VanDerWaalsContact O-CB 3.29Å; E160-V163 WeakPolarHBondContact O-CB 3.48Å; E160-V163 PolarHBondContact O-N 2.86Å; V163-C167 VanDerWaalsContact O-CB 3.29Å; V163-C167 WeakPolarHBondContact O-CB 3.47Å; V163-C167 PolarHBondContact O-N 2.9Å; V163-C167 PolarHBondContact O-SG 3.09Å; V163-K183 HydrophobicContact CG1-CG 4.2Å |
| 164 | E | 85.5 | Confident | 87.2 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.5 | -56.2 | 175.5 | -161.7 | 112.1 | -96.3 | 0 | 0 | 110.6 | E160 V162 V166 C167 E168 K183 | E160-E164 PolarHBondContact O-N 2.95Å; V162-E164 VanDerWaalsContact C-N 3.3Å; V162-E164 PolarHBondContact O-N 2.8Å; E164-V166 PolarHBondContact O-N 3.35Å; E164-C167 PolarHBondContact O-N 3.48Å; E164-E168 WeakPolarHBondContact O-CG 3.43Å; E164-E168 PolarHBondContact O-N 3.23Å; E164-K183 IonicContact OE1-NZ 3.98Å; E164-K183 PolarHBondContact OE1-NZ 3.47Å |
| 165 | K | 85.9 | Confident | 86.7 | Confident | 122 Ų | 122 | 56.1 Ų | 56.1 | 53% | 0.53 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 179.4 | -64.8 | 173.1 | -175.8 | 179.9 | 0 | 113.6 | D161 V162 C167 E168 I169 | D161-K165 WeakPolarHBondContact O-CG 3.4Å; D161-K165 PolarHBondContact O-N 3.42Å; V162-K165 PolarHBondContact O-N 2.76Å; K165-C167 VanDerWaalsContact C-N 3.31Å; K165-C167 PolarHBondContact O-N 2.75Å; K165-E168 PolarHBondContact O-N 2.78Å; K165-I169 WeakPolarHBondContact O-CG1 3.38Å; K165-I169 PolarHBondContact O-N 2.85Å |
| 166 | V | 86.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 177.8 | 170 | 0 | 0 | 0 | 0 | 111.4 | I111 F129 F132 F157 V162 E164 H172 C181 | I111-V166 HydrophobicContact CD1-CG1 3.84Å; F129-V166 HydrophobicContact CD1-CG1 4.37Å; F129-V166 HydrophobicContact CD1-CG2 4.44Å; F129-V166 HydrophobicContact CE1-CG1 3.78Å; F132-V166 HydrophobicContact CB-CG2 3.88Å; F132-V166 HydrophobicContact CD1-CG2 4.2Å; F132-V166 HydrophobicContact CD2-CG2 4.14Å; F132-V166 HydrophobicContact CG-CG2 3.82Å; F157-V166 HydrophobicContact CZ-CG2 4.43Å; V162-V166 HydrophobicContact CG1-CG2 4.33Å; V162-V166 WeakPolarHBondContact O-CB 3.25Å; V162-V166 WeakPolarHBondContact O-CG2 3.28Å; V162-V166 PolarHBondContact O-N 2.99Å; E164-V166 PolarHBondContact O-N 3.35Å; V166-H172 PolarHBondContact O-NE2 3.47Å; V166-C181 HydrophobicContact CG1-CB 3.84Å |
| 167 | C | 84.4 | Confident | 86.2 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 10% | 0.095 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -77.6 | -24.4 | 176 | -68 | 0 | 0 | 0 | 0 | 113.7 | V163 E164 K165 H170 K183 | V163-C167 VanDerWaalsContact O-CB 3.29Å; V163-C167 WeakPolarHBondContact O-CB 3.47Å; V163-C167 PolarHBondContact O-N 2.9Å; V163-C167 PolarHBondContact O-SG 3.09Å; E164-C167 PolarHBondContact O-N 3.48Å; K165-C167 VanDerWaalsContact C-N 3.31Å; K165-C167 PolarHBondContact O-N 2.75Å; C167-H170 PolarHBondContact O-CE1 3.24Å; C167-H170 VanDerWaalsContact O-CE1 3.24Å; C167-H170 PolarHBondContact O-ND1 3.47Å; C167-H170 PolarHBondContact O-NE2 3.25Å; C167-K183 HydrophobicContact CB-CG 4.15Å; C167-K183 WeakPolarHBondContact SG-CG 2.98Å; C167-K183 PolarHBondContact SG-N 3.25Å; C167-K183 VanDerWaalsContact SG-N 3.39Å |
| 168 | E | 82.9 | Confident | 86 | Confident | 139 Ų | 139 | 71.3 Ų | 71.3 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.5 | -37.4 | 173.4 | -73.8 | 172.3 | 174.6 | 0 | 0 | 112.3 | E164 K165 H170 | E164-E168 WeakPolarHBondContact O-CG 3.43Å; E164-E168 PolarHBondContact O-N 3.23Å; K165-E168 PolarHBondContact O-N 2.78Å; E168-H170 VanDerWaalsContact C-N 3.31Å; E168-H170 PolarHBondContact O-N 2.86Å |
| 169 | I | 81.8 | Confident | 86.1 | Confident | 85 Ų | 85 | 67.8 Ų | 67.8 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.8 | -28.8 | -179.7 | -65 | 166.5 | 0 | 0 | 0 | 111.5 | F132 K165 F171 | F132-I169 HydrophobicContact CE1-CD1 3.76Å; F132-I169 HydrophobicContact CZ-CD1 4.42Å; K165-I169 WeakPolarHBondContact O-CG1 3.38Å; K165-I169 PolarHBondContact O-N 2.85Å; I169-F171 WeakPolarHBondContact CG2-O 3.13Å; I169-F171 PolarHBondContact O-N 2.91Å |
| 170 | H | 76.1 | Confident | 86.2 | Confident | 100 Ų | 100 | 67 Ų | 67 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | trans | 60.1 | -42.5 | -179.5 | -75.6 | -64.2 | 0 | 0 | 0 | 116.9 | C167 E168 E180 C181 | C167-H170 PolarHBondContact O-CE1 3.24Å; C167-H170 VanDerWaalsContact O-CE1 3.24Å; C167-H170 PolarHBondContact O-ND1 3.47Å; C167-H170 PolarHBondContact O-NE2 3.25Å; E168-H170 VanDerWaalsContact C-N 3.31Å; E168-H170 PolarHBondContact O-N 2.86Å; H170-E180 WeakPolarHBondContact O-CA 3.35Å; H170-C181 PolarHBondContact O-N 2.87Å | ||
| 171 | F | 88.3 | Confident | 86.5 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.3 | -176.8 | -64.3 | -79.6 | 0 | 0 | 0 | 111.4 | I169 M178 V179 | I169-F171 WeakPolarHBondContact CG2-O 3.13Å; I169-F171 PolarHBondContact O-N 2.91Å; F171-M178 HydrophobicContact CB-CE 3.69Å; F171-M178 HydrophobicContact CD1-CE 4.33Å; F171-M178 HydrophobicContact CG-CE 4.16Å; F171-V179 WeakPolarHBondContact CA-O 3.45Å |
| 172 | H | 88.7 | Confident | 86.7 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.3 | -179 | -71.9 | -88.7 | 0 | 0 | 0 | 110 | Y128 F132 V166 V179 C181 | Y128-H172 HydrophobicContact CE1-CB 3.64Å; Y128-H172 AromaticContact CE1-CG 3.8Å; Y128-H172 AromaticContact CE1-ND1 3.44Å; Y128-H172 WeakPolarHBondContact CE1-ND1 3.44Å; Y128-H172 AromaticContact CZ-ND1 3.66Å; Y128-H172 WeakPolarHBondContact OH-CB 3.34Å; Y128-H172 PolarHBondContact OH-ND1 2.89Å; F132-H172 AromaticContact CE2-CE1 3.84Å; F132-H172 AromaticContact CE2-ND1 3.76Å; F132-H172 AromaticContact CZ-CE1 3.48Å; F132-H172 VanDerWaalsContact CZ-CE1 3.48Å; F132-H172 WeakPolarHBondContact CZ-CE1 3.47Å; F132-H172 AromaticContact CZ-ND1 3.55Å; V166-H172 PolarHBondContact O-NE2 3.47Å; H172-V179 PolarHBondContact N-O 3.27Å; H172-V179 WeakPolarHBondContact O-CA 3.37Å; H172-V179 WeakPolarHBondContact O-CB 3.08Å; H172-V179 PolarHBondContact O-N 3.23Å; H172-C181 PolarHBondContact CD2-SG 2.98Å |
| 173 | E | 88.6 | Confident | 86.7 | Confident | 108 Ų | 108 | 66.3 Ų | 66.3 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.5 | 173.6 | -167.2 | 179.8 | 162 | 0 | 0 | 110.2 | Y128 N176 K177 | Y128-E173 WeakPolarHBondContact CE2-O 3.36Å; E173-N176 WeakPolarHBondContact OE1-CA 3.49Å; E173-N176 PolarHBondContact OE1-ND2 3.43Å; E173-K177 WeakPolarHBondContact CA-O 3.26Å |
| 174 | I | 87.6 | Confident | 86.5 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127 | 176.4 | -48.9 | -177.1 | 0 | 0 | 0 | 108 | L116 T120 Y128 F129 N176 K177 V179 | L116-I174 HydrophobicContact CD2-CD1 4.37Å; T120-I174 HydrophobicContact CG2-CG2 4.45Å; Y128-I174 HydrophobicContact CD1-CD1 3.47Å; Y128-I174 VanDerWaalsContact CD1-CD1 3.47Å; Y128-I174 HydrophobicContact CD1-CG1 3.67Å; Y128-I174 HydrophobicContact CD2-CG1 4.06Å; Y128-I174 HydrophobicContact CE1-CD1 3.98Å; Y128-I174 HydrophobicContact CE1-CG1 3.9Å; Y128-I174 HydrophobicContact CE2-CG1 4.27Å; Y128-I174 HydrophobicContact CG-CD1 3.86Å; Y128-I174 HydrophobicContact CG-CG1 3.76Å; F129-I174 HydrophobicContact CE2-CD1 4.1Å; F129-I174 HydrophobicContact CZ-CD1 4.3Å; I174-N176 VanDerWaalsContact C-N 3.29Å; I174-N176 PolarHBondContact O-N 2.69Å; I174-K177 PolarHBondContact N-O 2.86Å; I174-K177 PolarHBondContact O-N 2.65Å; I174-V179 HydrophobicContact CB-CG2 3.95Å; I174-V179 HydrophobicContact CD1-CB 4.38Å; I174-V179 HydrophobicContact CD1-CG1 4.34Å; I174-V179 HydrophobicContact CD1-CG2 4.12Å; I174-V179 HydrophobicContact CG1-CB 4.43Å; I174-V179 HydrophobicContact CG1-CG2 3.96Å |
| 175 | N | 83.3 | Confident | 86.2 | Confident | 81 Ų | 81 | 67.1 Ų | 67.1 | 43% | 0.433 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 48.2 | -176 | -66.9 | -18.7 | 0 | 0 | 0 | 112.9 | T120 D124 K177 | T120-N175 PolarHBondContact OG1-ND2 3.02Å; D124-N175 PolarHBondContact OD2-ND2 3.27Å; D124-N175 VanDerWaalsContact OD2-ND2 3.09Å; N175-K177 PolarHBondContact O-N 2.92Å |
| 176 | N | 85.1 | Confident | 85.4 | Confident | 146 Ų | 146 | 64 Ų | 64 | 78% | 0.781 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 29.6 | -176.8 | -59.4 | 110.2 | 0 | 0 | 0 | 115.3 | E173 I174 | E173-N176 WeakPolarHBondContact OE1-CA 3.49Å; E173-N176 PolarHBondContact OE1-ND2 3.43Å; I174-N176 VanDerWaalsContact C-N 3.29Å; I174-N176 PolarHBondContact O-N 2.69Å |
| 177 | K | 88.6 | Confident | 84.1 | Confident | 80 Ų | 80 | 73 Ų | 73 | 35% | 0.348 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.8 | 175.5 | -163.7 | 179.1 | 177.6 | -155.9 | 0 | 110.6 | G115 L116 E173 I174 N175 V179 | G115-K177 WeakPolarHBondContact O-CD 3.49Å; G115-K177 WeakPolarHBondContact O-CE 3.32Å; G115-K177 PolarHBondContact O-NZ 2.84Å; L116-K177 PolarHBondContact O-NZ 2.65Å; E173-K177 WeakPolarHBondContact CA-O 3.26Å; I174-K177 PolarHBondContact N-O 2.86Å; I174-K177 PolarHBondContact O-N 2.65Å; N175-K177 PolarHBondContact O-N 2.92Å; K177-V179 PolarHBondContact O-N 3.11Å |
| 178 | M | 88.9 | Confident | 82.7 | Confident | 117 Ų | 117 | 80.7 Ų | 80.7 | 58% | 0.576 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 123.2 | 173.6 | -65.7 | -68.1 | -85 | 0 | 0 | 110.4 | F171 | F171-M178 HydrophobicContact CB-CE 3.69Å; F171-M178 HydrophobicContact CD1-CE 4.33Å; F171-M178 HydrophobicContact CG-CE 4.16Å |
| 179 | V | 92 | Very high | 81.1 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.5 | -177.3 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | V113 G114 L116 F171 H172 I174 K177 | V113-V179 HydrophobicContact CG1-CG1 3.3Å; G114-V179 CarbonylContact O-C 3.47Å; G114-V179 WeakPolarHBondContact O-CA 3.4Å; G114-V179 VanDerWaalsContact O-CG1 3.28Å; G114-V179 WeakPolarHBondContact O-CG1 3.48Å; L116-V179 HydrophobicContact CD2-CG1 3.8Å; L116-V179 HydrophobicContact CD2-CG2 3.92Å; L116-V179 HydrophobicContact CG-CG1 4.33Å; F171-V179 WeakPolarHBondContact CA-O 3.45Å; H172-V179 PolarHBondContact N-O 3.27Å; H172-V179 WeakPolarHBondContact O-CA 3.37Å; H172-V179 WeakPolarHBondContact O-CB 3.08Å; H172-V179 PolarHBondContact O-N 3.23Å; I174-V179 HydrophobicContact CB-CG2 3.95Å; I174-V179 HydrophobicContact CD1-CB 4.38Å; I174-V179 HydrophobicContact CD1-CG1 4.34Å; I174-V179 HydrophobicContact CD1-CG2 4.12Å; I174-V179 HydrophobicContact CG1-CB 4.43Å; I174-V179 HydrophobicContact CG1-CG2 3.96Å; K177-V179 PolarHBondContact O-N 3.11Å |
| 180 | E | 89.8 | Confident | 79.7 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 30% | 0.304 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.3 | 179.3 | -171.2 | -173.4 | -138.9 | 0 | 0 | 110.5 | G114 H170 K182 | G114-E180 PolarHBondContact N-O 3.01Å; G114-E180 PolarHBondContact O-N 3.49Å; H170-E180 WeakPolarHBondContact O-CA 3.35Å; E180-K182 WeakPolarHBondContact OE1-CE 3.33Å; E180-K182 IonicContact OE1-NZ 3.1Å; E180-K182 PolarHBondContact OE1-NZ 3.44Å; E180-K182 WeakPolarHBondContact OE2-CE 3.39Å; E180-K182 IonicContact OE2-NZ 2.87Å; E180-K182 PolarHBondContact OE2-NZ 3.03Å |
| 181 | C | 90.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.8 | 176.7 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | F112 V166 H170 H172 | F112-C181 WeakPolarHBondContact O-CA 3.18Å; V166-C181 HydrophobicContact CG1-CB 3.84Å; H170-C181 PolarHBondContact O-N 2.87Å; H172-C181 PolarHBondContact CD2-SG 2.98Å |
| 182 | K | 89.2 | Confident | 76.1 | Confident | 94 Ų | 94 | 80.2 Ų | 80.2 | 41% | 0.409 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 149.2 | -179.5 | -74.6 | 172.4 | 173.6 | 153 | 0 | 110.6 | I111 F112 E180 A184 | I111-K182 WeakPolarHBondContact CA-O 3.29Å; F112-K182 HydrophobicContact CD1-CB 4.38Å; F112-K182 PolarHBondContact N-O 2.95Å; F112-K182 PolarHBondContact O-N 3.24Å; E180-K182 WeakPolarHBondContact OE1-CE 3.33Å; E180-K182 IonicContact OE1-NZ 3.1Å; E180-K182 PolarHBondContact OE1-NZ 3.44Å; E180-K182 WeakPolarHBondContact OE2-CE 3.39Å; E180-K182 IonicContact OE2-NZ 2.87Å; E180-K182 PolarHBondContact OE2-NZ 3.03Å; K182-A184 PolarHBondContact O-N 2.84Å |
| 183 | K | 87.9 | Confident | 74.3 | Confident | 49 Ų | 49 | 87.5 Ų | 87.5 | 21% | 0.213 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 124.7 | 171.4 | -62.5 | -167.4 | 179.5 | -170.8 | 0 | 109.3 | T106 V163 E164 C167 Q185 | T106-K183 WeakPolarHBondContact OG1-CB 3.45Å; V163-K183 HydrophobicContact CG1-CG 4.2Å; E164-K183 IonicContact OE1-NZ 3.98Å; E164-K183 PolarHBondContact OE1-NZ 3.47Å; C167-K183 HydrophobicContact CB-CG 4.15Å; C167-K183 WeakPolarHBondContact SG-CG 2.98Å; C167-K183 PolarHBondContact SG-N 3.25Å; C167-K183 VanDerWaalsContact SG-N 3.39Å; K183-Q185 PolarHBondContact O-N 3.31Å; K183-Q185 PolarHBondContact O-NE2 2.96Å |
| 184 | A | 83.4 | Confident | 72.3 | Confident | 5 Ų | 5 | 85.5 Ų | 85.5 | 4% | 0.041 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 123.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110 | K110 F154 K182 | K110-A184 HydrophobicContact CB-CB 4.02Å; K110-A184 HydrophobicContact CG-CB 4.09Å; K110-A184 WeakPolarHBondContact O-CB 3.39Å; K110-A184 PolarHBondContact O-N 2.75Å; F154-A184 HydrophobicContact CD1-CB 4.09Å; F154-A184 HydrophobicContact CE1-CB 4.37Å; K182-A184 PolarHBondContact O-N 2.84Å |
| 185 | Q | 79.4 | Confident | 70.3 | Confident | 77 Ų | 77 | 91.4 Ų | 91.4 | 36% | 0.36 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 129 | 171.1 | -62.1 | -54.3 | -57.5 | 0 | 0 | 109.2 | K183 K187 M190 | K183-Q185 PolarHBondContact O-N 3.31Å; K183-Q185 PolarHBondContact O-NE2 2.96Å; Q185-K187 PolarHBondContact O-N 2.88Å; Q185-M190 HydrophobicContact CB-CE 4.18Å |
| 186 | P | 69.9 | Low | 68.5 | Low | 56 Ų | 56 | 92.5 Ų | 92.5 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 140 | 175.1 | 23.9 | -31.1 | 0 | 0 | 0 | 109.8 | T106 E188 V189 | T106-P186 HydrophobicContact CG2-CG 4.43Å; P186-E188 PolarHBondContact O-N 3.28Å; P186-V189 HydrophobicContact CG-CG2 4Å; P186-V189 PolarHBondContact O-N 3.35Å |
| 187 | K | 59 | Low | 66.5 | Low | 190 Ų | 190 | 98 Ų | 98 | 83% | 0.826 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -57.8 | -26.8 | -169.4 | -168.1 | 178.8 | 176.4 | -172.2 | 0 | 113.6 | Q185 V189 M190 | Q185-K187 PolarHBondContact O-N 2.88Å; K187-V189 VanDerWaalsContact C-N 3.26Å; K187-V189 PolarHBondContact O-N 2.89Å; K187-M190 PolarHBondContact O-N 2.97Å; K187-M190 VanDerWaalsContact O-N 3.09Å |
| 188 | E | 54.4 | Low | 64 | Low | 175 Ų | 175 | 97.6 Ų | 97.6 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -58.7 | -34.1 | 175.6 | -64.9 | 172.1 | -164.7 | 0 | 0 | 112.9 | P186 S191 | P186-E188 PolarHBondContact O-N 3.28Å; E188-S191 PolarHBondContact O-OG 2.79Å |
| 189 | V | 50.9 | Low | 62 | Low | 103 Ų | 103 | 104.3 Ų | 104.3 | 62% | 0.624 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -80.9 | -17.9 | 178.3 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | P186 K187 S191 | P186-V189 HydrophobicContact CG-CG2 4Å; P186-V189 PolarHBondContact O-N 3.35Å; K187-V189 VanDerWaalsContact C-N 3.26Å; K187-V189 PolarHBondContact O-N 2.89Å; V189-S191 VanDerWaalsContact C-N 3.34Å |
| 190 | M | 51.4 | Low | 59.2 | Low | 133 Ų | 133 | 109.7 Ų | 109.7 | 66% | 0.655 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -95.2 | 19.8 | -178.2 | -150.9 | 86.9 | 82.7 | 0 | 0 | 113.4 | Q185 K187 | Q185-M190 HydrophobicContact CB-CE 4.18Å; K187-M190 PolarHBondContact O-N 2.97Å; K187-M190 VanDerWaalsContact O-N 3.09Å |
| 191 | S | 43.2 | Very low | 57.1 | Low | 79 Ų | 79 | 118.2 Ų | 118.2 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -62.9 | 122.4 | 167.4 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | E188 V189 T193 | E188-S191 PolarHBondContact O-OG 2.79Å; V189-S191 VanDerWaalsContact C-N 3.34Å; S191-T193 PolarHBondContact O-N 2.83Å |
| 192 | P | 46 | Very low | 54.4 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 78% | 0.779 | 68% | 0.679 | S | S | * | * | trans | -68.5 | 110.6 | -177.1 | 26 | -32.8 | 0 | 0 | 0 | 110.4 | G194 | P192-G194 PolarHBondContact O-N 2.76Š| ||
| 193 | T | 49.9 | Very low | 51.9 | Low | 154 Ų | 154 | 128.1 Ų | 128.1 | 95% | 0.945 | 70% | 0.699 | S | S | * | * | trans | -65.4 | 75 | 167.9 | -50.9 | 0 | 0 | 0 | 0 | 109.6 | S191 | S191-T193 PolarHBondContact O-N 2.83Š| ||
| 194 | G | 47 | Very low | 50.1 | Low | 66 Ų | 66 | 130.2 Ų | 130.2 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | trans | -151.7 | 19.1 | -164 | 0 | 0 | 0 | 0 | 0 | 114.9 | P192 | P192-G194 PolarHBondContact O-N 2.76Š| ||
| 195 | S | 45.8 | Very low | 47.8 | Very low | 129 Ų | 129 | 141 Ų | 141 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -160.4 | 52.2 | 167.6 | -132.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 196 | A | 44.6 | Very low | 46.1 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -149.2 | 48.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 197 | R | 44.6 | Very low | 44.5 | Very low | 260 Ų | 260 | 147.1 Ų | 147.1 | 98% | 0.981 | 81% | 0.805 | S | S | * | * | trans | -110.1 | 79.2 | 167.5 | -167.4 | -179.4 | -178.4 | 98.7 | -4.3 | 110.1 | ||||
| 198 | G | 35.8 | Very low | 43.2 | Very low | 73 Ų | 73 | 145.6 Ų | 145.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -166.1 | 87.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | S200 | G198-S200 PolarHBondContact O-N 3.04Š| ||
| 199 | R | 47 | Very low | 42.8 | Very low | 257 Ų | 257 | 142.1 Ų | 142.1 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | trans | -32.5 | 125.4 | 177.4 | -68.6 | 169 | 168.9 | 158 | -5.8 | 114.2 | ||||
| 200 | S | 33 | Very low | 42 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -140 | 130.1 | 130.3 | -165 | 0 | 0 | 0 | 0 | 110.1 | G198 | G198-S200 PolarHBondContact O-N 3.04Š| ||
| 201 | R | 46.2 | Very low | 41.3 | Very low | 245 Ų | 245 | 147.5 Ų | 147.5 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -85.4 | 122.7 | 170.9 | -64.1 | 173.3 | 178.7 | 163.1 | -4.5 | 107.2 | ||||
| 202 | V | 33.7 | Very low | 41.3 | Very low | 133 Ų | 133 | 152.6 Ų | 152.6 | 81% | 0.806 | 84% | 0.843 | S | S | * | * | trans | -139.7 | 112 | 154.4 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 203 | M | 36.1 | Very low | 40.6 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 83% | 0.833 | 83% | 0.833 | S | S | * | * | trans | -75.5 | 154.6 | 162.2 | -93.4 | -68 | -170.2 | 0 | 0 | 108.7 | ||||
| 204 | P | 49.7 | Very low | 40.2 | Very low | 92 Ų | 92 | 151.1 Ų | 151.1 | 60% | 0.597 | 83% | 0.834 | S | S | * | * | trans | -71.8 | 152 | -172.4 | 32.9 | -36.2 | 0 | 0 | 0 | 111.2 | ||||
| 205 | Y | 35.3 | Very low | 39.5 | Very low | 232 Ų | 232 | 151.4 Ų | 151.4 | 91% | 0.91 | 84% | 0.837 | S | S | * | * | -176.6 | 139.4 | 123.5 | -94.2 | -66.7 | 0 | 0 | 0 | 107.3 | |||||
| 206 | G | 45.2 | Very low | 39 | Very low | 75 Ų | 75 | 154.2 Ų | 154.2 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -76.9 | 139.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 207 | M | 35 | Very low | 38.6 | Very low | 186 Ų | 186 | 158.1 Ų | 158.1 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | trans | -155.8 | 157.6 | 157.9 | -104.1 | 175.6 | 80.5 | 0 | 0 | 109.4 | ||||
| 208 | D | 33 | Very low | 37.9 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | trans | -61.9 | 160.2 | -156.6 | -74.8 | -101.2 | 0 | 0 | 0 | 119.3 | F210 | D208-F210 PolarHBondContact O-N 3.17Š| ||
| 209 | A | 44.6 | Very low | 37.7 | Very low | 103 Ų | 103 | 156.9 Ų | 156.9 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | trans | -71.3 | 112.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 210 | F | 35.2 | Very low | 37.7 | Very low | 194 Ų | 194 | 150.1 Ų | 150.1 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -150.4 | 158.6 | 157.1 | -160.4 | -111.1 | 0 | 0 | 0 | 110.9 | D208 | D208-F210 PolarHBondContact O-N 3.17Š| ||
| 211 | M | 36.7 | Very low | 37.4 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 76% | 0.764 | 83% | 0.829 | S | S | * | * | trans | 65.2 | 67.1 | -178.9 | -76.8 | 176 | 62.8 | 0 | 0 | 117.5 | ||||
| 212 | L | 42.2 | Very low | 36.8 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 97% | 0.974 | 83% | 0.828 | S | S | * | * | -81.1 | 125.5 | 129.8 | -82.5 | 170.1 | 0 | 0 | 0 | 108.5 | |||||
| 213 | G | 31.3 | Very low | 36.8 | Very low | 54 Ų | 54 | 148.5 Ų | 148.5 | 56% | 0.557 | 83% | 0.829 | S | S | * | * | trans | 150.5 | 139 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 214 | I | 41.4 | Very low | 36.6 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 96% | 0.964 | 83% | 0.826 | S | S | * | * | trans | 70.1 | 120.4 | 176.7 | -39.9 | 159.4 | 0 | 0 | 0 | 113.2 | ||||
| 215 | G | 33.4 | Very low | 35.8 | Very low | 73 Ų | 73 | 146.4 Ų | 146.4 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | cis | -178.3 | 132 | -7.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 216 | M | 34.1 | Very low | 35.5 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -97.6 | 114.1 | 175.1 | -92.5 | -77.1 | -171.3 | 0 | 0 | 109.8 | ||||
| 217 | L | 36.2 | Very low | 34.8 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 97% | 0.974 | 83% | 0.828 | S | S | * | * | trans | -171 | 136 | 156.7 | -131.9 | 80.5 | 0 | 0 | 0 | 110.9 | ||||
| 218 | G | 30.6 | Very low | 34.7 | Very low | 76 Ų | 76 | 145.2 Ų | 145.2 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | 141.3 | 90.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 219 | Y | 31.1 | Very low | 34.6 | Very low | 232 Ų | 232 | 141.9 Ų | 141.9 | 91% | 0.91 | 82% | 0.816 | S | S | * | * | trans | -78.9 | 178.1 | 158.2 | -91.8 | -112.8 | 0 | 0 | 0 | 110.1 | ||||
| 220 | P | 46.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | -138.8 | 164.2 | -50.3 | 38.9 | -22.3 | 0 | 0 | 0 | 115 | |||||
| 221 | G | 28.6 | Very low | 33.4 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | 74.3 | 122.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 222 | F | 31.8 | Very low | 33.2 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -153.5 | 145.5 | 140.7 | -145.2 | -107 | 0 | 0 | 0 | 111.6 | ||||
| 223 | Q | 34.4 | Very low | 32.6 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -91.7 | 147.1 | 173.1 | -58.9 | 171.9 | -2.5 | 0 | 0 | 109.5 | ||||
| 224 | T | 31.3 | Very low | 32.5 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -159 | 129 | 147.5 | -72.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 225 | A | 33.4 | Very low | 32.1 | Very low | 91 Ų | 91 | 142.7 Ų | 142.7 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -111.9 | 136.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 226 | T | 29.5 | Very low | 32.2 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | 172.8 | 117.4 | 151.6 | 22.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 227 | Y | 29.9 | Very low | 32.6 | Very low | 194 Ų | 194 | 142.2 Ų | 142.2 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | 82.2 | 104.4 | 92 | -165.6 | -85.6 | 0 | 0 | 0 | 114.1 | |||||
| 228 | T | 33.9 | Very low | 32.2 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -157.7 | 158.8 | 138.3 | 15.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 229 | S | 29.6 | Very low | 32.1 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | trans | -128.5 | 179.3 | -155.8 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 230 | R | 29.1 | Very low | 31.9 | Very low | 224 Ų | 224 | 138.1 Ų | 138.1 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | 107.9 | 80.5 | 140.4 | -142.5 | 171.9 | -160.2 | -138.1 | 3.2 | 119.6 | ||||
| 231 | S | 26.3 | Very low | 31.2 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | 48.8 | 128.5 | 115.9 | -44.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 232 | Y | 31.6 | Very low | 31.1 | Very low | 228 Ų | 228 | 146.4 Ų | 146.4 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -162.4 | 114.7 | 135 | -116.2 | -91.2 | 0 | 0 | 0 | 106.4 | ||||
| 233 | A | 30.8 | Very low | 31.1 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | 57.9 | 133.1 | 79.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 234 | G | 29 | Very low | 31.7 | Very low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | cis | -163.6 | 155.3 | -1.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 235 | I | 32.7 | Very low | 31.6 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | 66.6 | 131.1 | 103.8 | -52.9 | 178.7 | 0 | 0 | 0 | 117.1 | |||||
| 236 | T | 34.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -69.6 | 179.8 | 179.6 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 237 | P | 43 | Very low | 31.3 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | -157.3 | -178.9 | 32.4 | 45 | -22 | 0 | 0 | 0 | 121.3 | ||||
| 238 | G | 27.5 | Very low | 31.3 | Very low | 54 Ų | 54 | 145.2 Ų | 145.2 | 56% | 0.557 | 77% | 0.766 | S | S | * | * | trans | 122.8 | 116.1 | 133 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 239 | Y | 28.9 | Very low | 31.2 | Very low | 225 Ų | 225 | 144.7 Ų | 144.7 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | 73.4 | 169.5 | 157.6 | -48 | -72.4 | 0 | 0 | 0 | 117.2 | ||||
| 240 | T | 27.6 | Very low | 31.2 | Very low | 129 Ų | 129 | 152 Ų | 152 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -149.4 | -177.7 | 14.4 | -30.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 241 | Y | 32.2 | Very low | 31.3 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -66.2 | 169 | 178.1 | -81.6 | -98 | 0 | 0 | 0 | 116.1 | ||||
| 242 | Q | 26.9 | Very low | 32.7 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | cis | -159.8 | 146.9 | 42.1 | -175.3 | 69.2 | 6.3 | 0 | 0 | 113.8 | ||||
| 243 | F | 30.8 | Very low | 32.7 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -92.6 | -176.8 | 174.4 | -99.3 | -79.3 | 0 | 0 | 0 | 111.5 | ||||
| 244 | P | 46.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 145 Ų | 145 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -139.6 | -173.7 | 37.7 | 34.7 | -7.6 | 0 | 0 | 0 | 114 | ||||
| 245 | E | 28.7 | Very low | 32.8 | Very low | 173 Ų | 173 | 148.7 Ų | 148.7 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | cis | -153.1 | 176.9 | 32.3 | -83.1 | -166.5 | 78.5 | 0 | 0 | 111.9 | ||||
| 246 | F | 29.3 | Very low | 32.7 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | cis | -177.7 | 142.9 | -35.1 | -168.7 | -131.2 | 0 | 0 | 0 | 110.7 | ||||
| 247 | H | 27.4 | Very low | 33.1 | Very low | 136 Ų | 136 | 145 Ų | 145 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | trans | 66.1 | 148.5 | 157.3 | -92.7 | -141.1 | 0 | 0 | 0 | 121.8 | ||||
| 248 | L | 29.8 | Very low | 32.7 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | cis | -153.3 | 149 | -0.6 | 178.9 | 57.1 | 0 | 0 | 0 | 112 | ||||
| 249 | E | 32.3 | Very low | 34.6 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 63% | 0.626 | 76% | 0.759 | S | S | * | * | trans | -97.3 | 154.9 | 178.1 | -131.2 | -83.7 | 161.8 | 0 | 0 | 112 | T251 | E249-T251 PolarHBondContact OE2-OG1 3.47Š| ||
| 250 | R | 30.1 | Very low | 35.8 | Very low | 242 Ų | 242 | 145.3 Ų | 145.3 | 91% | 0.913 | 75% | 0.754 | S | S | * | * | trans | -161.8 | 130.7 | 155 | -116.3 | -179.8 | -167.2 | -154.6 | 3.3 | 114.7 | ||||
| 251 | T | 31.8 | Very low | 35.8 | Very low | 105 Ų | 105 | 147 Ų | 147 | 64% | 0.644 | 75% | 0.753 | S | S | * | * | trans | -119.7 | -172 | 177.5 | 35.6 | 0 | 0 | 0 | 0 | 109.1 | E249 | E249-T251 PolarHBondContact OE2-OG1 3.47Š| ||
| 252 | P | 55.7 | Low | 36 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | cis | -142.4 | -171 | -27.8 | 26.9 | -0.9 | 0 | 0 | 0 | 116.4 | ||||
| 253 | L | 30.9 | Very low | 36.4 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | trans | 93.3 | 131.2 | 146.7 | -57.7 | -166.5 | 0 | 0 | 0 | 126 | ||||
| 254 | L | 30.6 | Very low | 36.4 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 35.3 | 130.4 | 145.1 | -90.1 | 80.5 | 0 | 0 | 0 | 123.7 | ||||
| 255 | T | 31.7 | Very low | 36.1 | Very low | 143 Ų | 143 | 140 Ų | 140 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | -159.2 | 174.4 | 101.3 | 70.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 256 | S | 30.9 | Very low | 37.1 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -133.6 | 163.9 | 163.8 | 77.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 257 | P | 41.4 | Very low | 37.3 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | -151.7 | 148 | 86.2 | 37.3 | -17.2 | 0 | 0 | 0 | 118.6 | |||||
| 258 | H | 36.6 | Very low | 37.6 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | trans | 23 | 125.6 | 153.6 | -83.5 | -70.7 | 0 | 0 | 0 | 124.9 | ||||
| 259 | P | 65.3 | Low | 37.8 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | trans | -117.3 | 163.3 | 164.8 | 41.9 | -31.5 | 0 | 0 | 0 | 114.8 | ||||
| 260 | P | 54.1 | Low | 38 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -95.9 | -177.3 | 158.2 | 42.7 | -39 | 0 | 0 | 0 | 111.1 | ||||
| 261 | E | 27.8 | Very low | 38.3 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | cis | -142.3 | 130.5 | -0.2 | -162.3 | 174.4 | 139 | 0 | 0 | 110.5 | ||||
| 262 | L | 36.8 | Very low | 39.8 | Very low | 141 Ų | 141 | 131 Ų | 131 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 26.1 | 152.2 | 144.1 | -48 | 173.3 | 0 | 0 | 0 | 121.4 | ||||
| 263 | T | 35.4 | Very low | 38.8 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | cis | -177.1 | 167.2 | -8.9 | 25.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 264 | A | 31.8 | Very low | 38.9 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | cis | -157.9 | 161.5 | -8.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 265 | I | 40.1 | Very low | 38.9 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -97.1 | 172.3 | 163.7 | -20.6 | 176.4 | 0 | 0 | 0 | 107.6 | ||||
| 266 | P | 50.2 | Low | 38.9 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | -159.5 | 149.8 | 75.2 | 39.7 | -16.6 | 0 | 0 | 0 | 120.7 | |||||
| 267 | L | 32.7 | Very low | 38.9 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | 71 | 133.1 | 128.5 | -67.3 | 167.7 | 0 | 0 | 0 | 125 | |||||
| 268 | T | 32.9 | Very low | 38.6 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | trans | 61.1 | 116.8 | 141.6 | 53.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 269 | A | 35.6 | Very low | 38.2 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 73.7 | 110 | 56.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 270 | Y | 36.4 | Very low | 36.7 | Very low | 243 Ų | 243 | 123 Ų | 123 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -163.2 | 165.5 | 145.3 | -122.1 | -88.8 | 0 | 0 | 0 | 110.5 | ||||
| 271 | G | 35 | Very low | 35.5 | Very low | 65 Ų | 65 | 121.9 Ų | 121.9 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | -86.7 | -165.7 | -161.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 272 | P | 65.2 | Low | 35.6 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | trans | -101.3 | 144.1 | -164.7 | 37.2 | -33.3 | 0 | 0 | 0 | 115.3 | ||||
| 273 | M | 33.3 | Very low | 35.3 | Very low | 192 Ų | 192 | 119.4 Ų | 119.4 | 95% | 0.946 | 80% | 0.797 | S | S | * | * | trans | -161 | 161.8 | 156.1 | -156.5 | 49.4 | 177 | 0 | 0 | 114.1 | ||||
| 274 | A | 32.5 | Very low | 35.1 | Very low | 80 Ų | 80 | 124.7 Ų | 124.7 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | trans | -74.2 | 166 | -159.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 275 | A | 32 | Very low | 34.9 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | 71.9 | 118.3 | 135.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 276 | A | 32.1 | Very low | 34.5 | Very low | 99 Ų | 99 | 122 Ų | 122 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 175.3 | 123.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 277 | A | 30.2 | Very low | 33.8 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | 85.9 | 89.5 | 60.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 278 | A | 34.5 | Very low | 34.5 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -168.7 | 113.2 | 152 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 279 | A | 28.4 | Very low | 34.6 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | 78.9 | 87.6 | 57.4 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 280 | A | 33.3 | Very low | 34.3 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -147 | 107.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 281 | A | 29.7 | Very low | 34 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -97.3 | 173.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 282 | V | 30.4 | Very low | 33.9 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | cis | -162.9 | 163.6 | -0.5 | 96.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 283 | V | 30.2 | Very low | 32.2 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | trans | 155.9 | 142.8 | 139.4 | 157.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 284 | R | 30.1 | Very low | 32.4 | Very low | 235 Ų | 235 | 122.6 Ų | 122.6 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | cis | 177.6 | 137 | -45.3 | -140.6 | -174.6 | -177.1 | -172.8 | 2.8 | 105.1 | ||||
| 285 | G | 27.8 | Very low | 32.4 | Very low | 69 Ų | 69 | 126.8 Ų | 126.8 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | trans | 111.3 | 145.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 286 | S | 33.1 | Very low | 32.5 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | cis | -156.7 | 143.2 | -11.9 | -70.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 287 | T | 35.5 | Very low | 32.6 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 82% | 0.816 | 82% | 0.819 | S | S | * | * | trans | -85.8 | 167.1 | 164.8 | 56.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 288 | P | 45.5 | Very low | 32.8 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | -138.3 | 160.4 | 89.7 | 37.4 | -25 | 0 | 0 | 0 | 114.4 | |||||
| 289 | S | 35.4 | Very low | 33.1 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -108.2 | 142.7 | 167.9 | 53.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 290 | R | 29.6 | Very low | 34 | Very low | 241 Ų | 241 | 128 Ų | 128 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -166.7 | 155.8 | 160.5 | -97 | -162.4 | 173.9 | -151.6 | -3.6 | 108.3 | ||||
| 291 | S | 30.4 | Very low | 33.9 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | cis | 179.4 | 124.8 | -35.6 | 47.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 292 | A | 33.1 | Very low | 35.5 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | trans | 59.2 | 142.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 293 | G | 30.1 | Very low | 35.8 | Very low | 85 Ų | 85 | 131 Ų | 131 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | 167.6 | 81.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 294 | F | 35.8 | Very low | 36.1 | Very low | 195 Ų | 195 | 128.2 Ų | 128.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -105.7 | 119 | -177.4 | 177.3 | -79.8 | 0 | 0 | 0 | 110.8 | ||||
| 295 | L | 33 | Very low | 36.3 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -162.4 | 138.9 | 152 | -69 | -174.7 | 0 | 0 | 0 | 105.6 | ||||
| 296 | G | 34.6 | Very low | 36.6 | Very low | 53 Ų | 53 | 127.6 Ų | 127.6 | 55% | 0.546 | 80% | 0.799 | S | S | . | * | cis | 106.6 | 86.6 | 3.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 297 | T | 34.7 | Very low | 36.6 | Very low | 140 Ų | 140 | 132 Ų | 132 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -174.7 | 134.2 | 149.4 | 25.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 298 | S | 34.2 | Very low | 36.3 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 64.6 | 97.9 | 139.3 | -47.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 299 | S | 39.4 | Very low | 35.6 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -65.1 | 173.8 | 135.1 | -152.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 300 | P | 47.8 | Very low | 35.4 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -145.4 | 175.8 | 11.4 | 44.3 | -25.3 | 0 | 0 | 0 | 118.3 | ||||
| 301 | G | 31.8 | Very low | 35.5 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | 102.1 | 165.3 | 128.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 302 | P | 63.2 | Low | 35.7 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -121.8 | 169.9 | -158.4 | 42 | -29.2 | 0 | 0 | 0 | 115 | ||||
| 303 | M | 36.2 | Very low | 35.6 | Very low | 191 Ų | 191 | 129.7 Ų | 129.7 | 94% | 0.941 | 79% | 0.789 | S | S | * | * | trans | -161.1 | 160.7 | 145.7 | -127.1 | -159.6 | 179.6 | 0 | 0 | 114.3 | ||||
| 304 | A | 36.2 | Very low | 35.9 | Very low | 73 Ų | 73 | 131 Ų | 131 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | trans | -124.9 | 157.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 305 | D | 35 | Very low | 35.8 | Very low | 149 Ų | 149 | 126.2 Ų | 126.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 56.9 | 144.8 | 164.9 | -60.6 | -51.2 | 0 | 0 | 0 | 119.8 | ||||
| 306 | L | 33.9 | Very low | 36 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | 154.3 | 139.7 | 107.9 | -146.2 | 67.1 | 0 | 0 | 0 | 113.4 | |||||
| 307 | Y | 33.3 | Very low | 36.1 | Very low | 216 Ų | 216 | 127.8 Ų | 127.8 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | 60.1 | 149.2 | 172 | -67.5 | -73.7 | 0 | 0 | 0 | 118.7 | ||||
| 308 | G | 28.7 | Very low | 36.1 | Very low | 55 Ų | 55 | 125.5 Ų | 125.5 | 57% | 0.567 | 78% | 0.78 | S | S | * | * | cis | 133.1 | 133.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 309 | T | 31.8 | Very low | 36.4 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | 68.3 | 153.8 | 171.1 | 77 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 310 | A | 31.8 | Very low | 36.4 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | cis | -165.7 | 158.9 | -27.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 311 | S | 31.3 | Very low | 35.9 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 53.2 | 119.2 | 150.1 | -61.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 312 | Q | 35 | Very low | 36.3 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | -159.1 | 112.5 | 119.8 | -99.2 | 179.3 | 8.2 | 0 | 0 | 105.7 | |||||
| 313 | E | 29.2 | Very low | 34.9 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | 91.8 | 141.2 | 57.5 | -169.2 | 168.7 | -152.1 | 0 | 0 | 113.3 | |||||
| 314 | S | 37.6 | Very low | 35.1 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 79.2 | 105 | -170 | -41.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 315 | A | 32.8 | Very low | 35.9 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | cis | 71 | 99.3 | 23 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 316 | V | 38.2 | Very low | 36.1 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 92% | 0.915 | 79% | 0.791 | S | S | * | * | trans | -148.6 | 140.9 | 133.2 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 317 | S | 36.6 | Very low | 37 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -110.2 | 178 | -173.6 | -59 | 0 | 0 | 0 | 0 | 114 | ||||
| 318 | S | 35.3 | Very low | 37.3 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | 86.2 | 144 | 158.7 | -46.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 319 | Y | 38.6 | Very low | 38 | Very low | 219 Ų | 219 | 127.3 Ų | 127.3 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | cis | -141.3 | 171.1 | 29.7 | -80.8 | -91.5 | 0 | 0 | 0 | 115.3 | ||||
| 320 | L | 40.7 | Very low | 38.2 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -65 | 157.3 | 178.8 | -61.7 | 69.1 | 0 | 0 | 0 | 113.9 | ||||
| 321 | S | 37.9 | Very low | 38.5 | Very low | 124 Ų | 124 | 129 Ų | 129 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | -168.7 | 160 | 108.1 | -155 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 322 | A | 39.9 | Very low | 38.6 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -130.4 | 144.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 323 | A | 33 | Very low | 38.9 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -178.3 | 140.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 324 | S | 39.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -116.8 | -174 | 155 | -45.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 325 | P | 53.7 | Low | 39.5 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | cis | -137.4 | 175.4 | -11.8 | 40.5 | -23.4 | 0 | 0 | 0 | 115.8 | ||||
| 326 | A | 40.4 | Very low | 39.7 | Very low | 91 Ų | 91 | 125 Ų | 125 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 65.2 | 177.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 327 | P | 52.5 | Low | 39.9 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -125.1 | 177.6 | -54.8 | 36.2 | -22.7 | 0 | 0 | 0 | 112.9 | |||||
| 328 | S | 39.3 | Very low | 40.8 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -141.2 | 148.9 | 165 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 329 | T | 43.2 | Very low | 41.4 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -123.6 | 161.5 | -165.7 | 44.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 330 | G | 35.4 | Very low | 41.7 | Very low | 63 Ų | 63 | 122.8 Ų | 122.8 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 151.8 | 104.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 331 | F | 38.3 | Very low | 41.8 | Very low | 206 Ų | 206 | 119.6 Ų | 119.6 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | 50.5 | 129.6 | 69.4 | -69.6 | -78 | 0 | 0 | 0 | 112.3 | |||||
| 332 | S | 33.5 | Very low | 42.2 | Very low | 87 Ų | 87 | 119.1 Ų | 119.1 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | cis | -167.3 | 157.2 | 26.9 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 333 | H | 41.3 | Very low | 42.4 | Very low | 177 Ų | 177 | 119 Ų | 119 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | 59.9 | 151.1 | 149.9 | -63.4 | -50.7 | 0 | 0 | 0 | 119.2 | ||||
| 334 | S | 34.7 | Very low | 43.3 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 62% | 0.622 | 78% | 0.784 | S | S | * | * | cis | -175.5 | 171.8 | -9.7 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 335 | L | 43.8 | Very low | 44.1 | Very low | 172 Ų | 172 | 124.1 Ų | 124.1 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | 86.7 | 128.5 | 160.4 | -55 | 166.9 | 0 | 0 | 0 | 119.6 | ||||
| 336 | G | 38.8 | Very low | 43.8 | Very low | 80 Ų | 80 | 126.5 Ų | 126.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 101.3 | 96.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 337 | G | 40.9 | Very low | 44 | Very low | 75 Ų | 75 | 125.8 Ų | 125.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -83.5 | -160.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 338 | P | 57.2 | Low | 43.6 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | cis | -134.2 | 160.9 | 5.2 | 39.4 | -22 | 0 | 0 | 0 | 116.6 | ||||
| 339 | L | 47.1 | Very low | 44 | Very low | 160 Ų | 160 | 137 Ų | 137 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | 34.7 | 128.1 | 135.9 | -51.8 | 172.2 | 0 | 0 | 0 | 120.8 | ||||
| 340 | I | 44.9 | Very low | 44 | Very low | 164 Ų | 164 | 137 Ų | 137 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | -143.6 | 130.7 | 114 | -92.3 | 150.4 | 0 | 0 | 0 | 107.5 | |||||
| 341 | A | 43.3 | Very low | 44.5 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -129.1 | 135.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 342 | T | 46.2 | Very low | 44.8 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 69% | 0.693 | 81% | 0.811 | S | S | * | * | trans | -128 | 95.6 | 176.6 | -42.9 | 0 | 0 | 0 | 0 | 108.9 | F344 | T342-F344 HydrophobicContact CG2-CD2 4.39Å; T342-F344 HydrophobicContact CG2-CE2 4.43Å | ||
| 343 | A | 44.2 | Very low | 45.5 | Very low | 90 Ų | 90 | 140.2 Ų | 140.2 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | trans | -78.4 | 138.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 344 | F | 50.4 | Low | 45.7 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | trans | -107.7 | 126.7 | 160.6 | -105.6 | -88.6 | 0 | 0 | 0 | 108.7 | T342 | T342-F344 HydrophobicContact CG2-CD2 4.39Å; T342-F344 HydrophobicContact CG2-CE2 4.43Å | ||
| 345 | T | 57.4 | Low | 46.5 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 76% | 0.761 | 84% | 0.836 | S | S | * | * | trans | -121.9 | 147.4 | -178.6 | 162.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 346 | N | 46.7 | Very low | 46.7 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -60.6 | 154.3 | 174.6 | -69.5 | -27.4 | 0 | 0 | 0 | 112 | ||||
| 347 | G | 44.8 | Very low | 47.3 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | -169.1 | 119.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 348 | Y | 44 | Very low | 47.8 | Very low | 235 Ų | 235 | 149.2 Ų | 149.2 | 92% | 0.922 | 84% | 0.837 | S | S | * | * | trans | -63.8 | 147.3 | 175.2 | -93.9 | -114.9 | 0 | 0 | 0 | 112.5 | ||||
| 349 | H | 47.3 | Very low | 46.9 | Very low | 251 Ų | 251 | 152.1 Ų | 152.1 | 100% | 1.162 | 84% | 0.844 | S | S | * | * | -155.2 | 0 | 121.5 | -147.5 | -54.9 | 0 | 0 | 0 | 111.6 |
Retrieved 349 of 349 residues in 169.1 ms
(Link to these results)