| 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 | 42.2 | Very low | 35.1 | Very low | 251 Ų | 251 | 187.8 Ų | 187.8 | 100% | 1.236 | 89% | 0.893 | S | S | * | * | 0 | 109 | 0 | -62.3 | 168.5 | -178.9 | 0 | 0 | 107.8 | |||||
| 2 | A | 32.2 | Very low | 35 | Very low | 91 Ų | 91 | 183.3 Ų | 183.3 | 75% | 0.752 | 88% | 0.877 | S | S | * | * | trans | -154.3 | 9.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A4 | A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 3.43Å | ||
| 3 | F | 31 | Very low | 34.4 | Very low | 225 Ų | 225 | 177.6 Ų | 177.6 | 99% | 0.987 | 87% | 0.868 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 18.2 | -173 | -97 | -81.1 | 0 | 0 | 0 | 115.1 | ||
| 4 | A | 34.8 | Very low | 34 | Very low | 86 Ų | 86 | 173.4 Ų | 173.4 | 71% | 0.711 | 86% | 0.858 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -19.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A2 | A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 3.43Å |
| 5 | N | 35.1 | Very low | 34.1 | Very low | 145 Ų | 145 | 175.5 Ų | 175.5 | 78% | 0.775 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -101.8 | -1.3 | -165.3 | -75.1 | -4.5 | 0 | 0 | 0 | 115.9 | R7 | N5-R7 VanDerWaalsContact C-N 3.29Å; N5-R7 PolarHBondContact O-N 3.43Å |
| 6 | F | 31.8 | Very low | 33.9 | Very low | 212 Ų | 212 | 174.1 Ų | 174.1 | 93% | 0.93 | 85% | 0.852 | S | S | * | * | trans | -89 | 36.6 | -176.2 | -110.5 | -83.2 | 0 | 0 | 0 | 114.7 | ||||
| 7 | R | 33.1 | Very low | 34 | Very low | 245 Ų | 245 | 175.2 Ų | 175.2 | 93% | 0.925 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -127.6 | 26.3 | 179.1 | -91 | -168.4 | 173.5 | -167.3 | -1.1 | 114.5 | N5 | N5-R7 VanDerWaalsContact C-N 3.29Å; N5-R7 PolarHBondContact O-N 3.43Å |
| 8 | R | 35.7 | Very low | 34 | Very low | 236 Ų | 236 | 174.8 Ų | 174.8 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -132.2 | -3.2 | -176.6 | -91.4 | -172.2 | 176.1 | -179.2 | -0.3 | 118.2 | ||
| 9 | I | 39.9 | Very low | 34 | Very low | 164 Ų | 164 | 176.1 Ų | 176.1 | 84% | 0.841 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -130.4 | 50.4 | -177.3 | -39 | -177.6 | 0 | 0 | 0 | 112.3 | ||
| 10 | L | 34.2 | Very low | 34.7 | Very low | 154 Ų | 154 | 170.5 Ų | 170.5 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | trans | -142.9 | 95.8 | 151.9 | -80.3 | -175.9 | 0 | 0 | 0 | 108 | L12 | L10-L12 HydrophobicContact CB-CD1 4.43Å; L10-L12 HydrophobicContact CD2-CD1 4.4Å; L10-L12 PolarHBondContact O-N 2.99Å | ||
| 11 | R | 36.6 | Very low | 35.8 | Very low | 257 Ų | 257 | 169.1 Ų | 169.1 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | trans | -83.6 | 66.8 | 162.2 | -82 | -175 | 172.2 | 170.8 | -3.7 | 108.9 | ||||
| 12 | L | 33.1 | Very low | 36.7 | Very low | 133 Ų | 133 | 166.5 Ų | 166.5 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 139.2 | 144.9 | -89.6 | 66.1 | 0 | 0 | 0 | 106.1 | L10 T14 | L10-L12 HydrophobicContact CB-CD1 4.43Å; L10-L12 HydrophobicContact CD2-CD1 4.4Å; L10-L12 PolarHBondContact O-N 2.99Å; L12-T14 PolarHBondContact O-N 3.02Å; L12-T14 VanDerWaalsContact O-N 3.17Å |
| 13 | S | 27.8 | Very low | 38.7 | Very low | 110 Ų | 110 | 163.8 Ų | 163.8 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 122.2 | 161.4 | 48.6 | 0 | 0 | 0 | 0 | 107.2 | F15 | S13-F15 PolarHBondContact O-N 3.18Š|
| 14 | T | 29 | Very low | 41 | Very low | 118 Ų | 118 | 161.7 Ų | 161.7 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -54 | 119.9 | 171.3 | 27.9 | 0 | 0 | 0 | 0 | 107.6 | L12 E16 | L12-T14 PolarHBondContact O-N 3.02Å; L12-T14 VanDerWaalsContact O-N 3.17Å; T14-E16 PolarHBondContact O-N 3.43Å |
| 15 | F | 34.3 | Very low | 43.4 | Very low | 205 Ų | 205 | 161.3 Ų | 161.3 | 90% | 0.899 | 74% | 0.739 | S | S | * | * | trans | -67.7 | 81.3 | 160.8 | -140.9 | -77.7 | 0 | 0 | 0 | 105.6 | S13 K17 | S13-F15 PolarHBondContact O-N 3.18Å; F15-K17 PolarHBondContact O-N 3.08Å | ||
| 16 | E | 31.5 | Very low | 46.1 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | trans | -58.2 | 101.3 | 162.4 | -70.3 | -171.3 | 174.9 | 0 | 0 | 105.1 | T14 R18 | T14-E16 PolarHBondContact O-N 3.43Å; E16-R18 PolarHBondContact O-N 3.45Å | ||
| 17 | K | 35.4 | Very low | 48.9 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 84% | 0.839 | 68% | 0.683 | S | S | * | * | trans | -51.3 | 99.9 | 146.2 | -72.7 | -172.7 | 174.3 | -171.8 | 0 | 104.1 | F15 K19 | F15-K17 PolarHBondContact O-N 3.08Å; K17-K19 PolarHBondContact O-N 2.93Å | ||
| 18 | R | 33.8 | Very low | 51.6 | Low | 168 Ų | 168 | 142.3 Ų | 142.3 | 63% | 0.634 | 65% | 0.651 | S | S | * | * | trans | -42.7 | 118.6 | 170.2 | -81.2 | -177.2 | 172.6 | -175.3 | -1.3 | 104.3 | E16 S20 E73 | E16-R18 PolarHBondContact O-N 3.45Å; R18-S20 PolarHBondContact O-N 3.48Å; R18-E73 IonicContact CZ-OE1 3.53Å; R18-E73 IonicContact NH1-OE1 3.69Å; R18-E73 PolarHBondContact NH1-OE1 2.89Å; R18-E73 IonicContact NH2-OE1 3.96Å; R18-E73 PolarHBondContact NH2-OE1 3.28Å | ||
| 19 | K | 34.7 | Very low | 54.1 | Low | 200 Ų | 200 | 137.3 Ų | 137.3 | 87% | 0.87 | 64% | 0.642 | S | S | * | * | trans | -56.3 | 110.4 | 172.1 | -85.3 | -169.8 | 169.8 | -165.8 | 0 | 104.9 | K17 R21 | K17-K19 PolarHBondContact O-N 2.93Å; K19-R21 PolarHBondContact O-N 2.87Å; K19-R21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | S | 48.7 | Very low | 56.4 | Low | 63 Ų | 63 | 132.1 Ų | 132.1 | 44% | 0.441 | 62% | 0.616 | S | S | . | * | trans | -54.8 | 123 | -178 | 96.9 | 0 | 0 | 0 | 0 | 106 | R18 E22 R28 | R18-S20 PolarHBondContact O-N 3.48Å; S20-E22 PolarHBondContact O-N 3.16Å; S20-E22 VanDerWaalsContact O-N 3.09Å; S20-R28 PolarHBondContact OG-NH1 2.99Å | ||
| 21 | R | 57.1 | Low | 59.1 | Low | 142 Ų | 142 | 126.8 Ų | 126.8 | 54% | 0.536 | 59% | 0.588 | S | S | . | * | trans | -60.8 | 121.5 | -169.1 | -71.6 | 179.7 | 172.5 | -175.2 | -3.5 | 108.2 | K19 Y23 E76 | K19-R21 PolarHBondContact O-N 2.87Å; K19-R21 VanDerWaalsContact O-N 3.09Å; R21-Y23 HydrophobicContact CB-CE1 3.94Å; R21-Y23 HydrophobicContact CB-CE2 3.91Å; R21-Y23 WeakPolarHBondContact O-CD2 3.28Å; R21-Y23 PolarHBondContact O-N 3.46Å; R21-Y23 VanDerWaalsContact O-N 3.09Å; R21-E76 IonicContact CZ-OE1 2.62Å; R21-E76 IonicContact NE-OE1 3.56Å; R21-E76 IonicContact NH1-OE1 2.79Å; R21-E76 PolarHBondContact NH1-OE1 3.32Å; R21-E76 IonicContact NH1-OE2 3.68Å; R21-E76 PolarHBondContact NH1-OE2 2.77Å | ||
| 22 | E | 60.1 | Low | 61.8 | Low | 196 Ų | 196 | 114.5 Ų | 114.5 | 92% | 0.916 | 54% | 0.542 | S | S | * | . | trans | -74 | 100.2 | 176.6 | -75.2 | 171.2 | -176.2 | 0 | 0 | 107.2 | S20 | S20-E22 PolarHBondContact O-N 3.16Å; S20-E22 VanDerWaalsContact O-N 3.09Å | ||
| 23 | Y | 75.4 | Confident | 64.7 | Low | 34 Ų | 34 | 111.6 Ų | 111.6 | 13% | 0.133 | 53% | 0.527 | C | S | . | . | trans | -87.9 | 109.9 | 176.6 | -62.1 | -66 | 0 | 0 | 0 | 108.7 | R21 H25 V26 L75 E76 I79 | R21-Y23 HydrophobicContact CB-CE1 3.94Å; R21-Y23 HydrophobicContact CB-CE2 3.91Å; R21-Y23 WeakPolarHBondContact O-CD2 3.28Å; R21-Y23 PolarHBondContact O-N 3.46Å; R21-Y23 VanDerWaalsContact O-N 3.09Å; Y23-H25 PolarHBondContact O-N 3.09Å; Y23-V26 PolarHBondContact O-N 3.35Å; Y23-L75 HydrophobicContact CD2-CD2 4.26Å; Y23-L75 HydrophobicContact CE2-CD2 3.79Å; Y23-L75 HydrophobicContact CE2-CG 4.39Å; Y23-E76 VanDerWaalsContact OH-CG 3.27Å; Y23-E76 WeakPolarHBondContact OH-CG 3.46Å; Y23-I79 HydrophobicContact CD1-CB 4.47Å; Y23-I79 HydrophobicContact CD1-CD1 3.92Å; Y23-I79 HydrophobicContact CD1-CG1 3.76Å; Y23-I79 HydrophobicContact CD1-CG2 3.92Å; Y23-I79 HydrophobicContact CD2-CD1 3.88Å; Y23-I79 HydrophobicContact CD2-CG1 4.35Å; Y23-I79 HydrophobicContact CE1-CD1 4.31Å; Y23-I79 HydrophobicContact CE1-CG1 3.77Å; Y23-I79 HydrophobicContact CE1-CG2 4.37Å; Y23-I79 HydrophobicContact CE2-CD1 4.27Å; Y23-I79 HydrophobicContact CE2-CG1 4.35Å; Y23-I79 HydrophobicContact CG-CD1 3.69Å; Y23-I79 HydrophobicContact CG-CG1 4.07Å | ||
| 24 | E | 79.1 | Confident | 67.7 | Low | 182 Ų | 182 | 112.9 Ų | 112.9 | 85% | 0.85 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -35.6 | -171.9 | -176.7 | 171.6 | -153.2 | 0 | 0 | 114.1 | ||
| 25 | H | 85.6 | Confident | 70.8 | Confident | 77 Ų | 77 | 108.9 Ų | 108.9 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 2.6 | -175.9 | -60.3 | 95.3 | 0 | 0 | 0 | 114.7 | Y23 I82 | Y23-H25 PolarHBondContact O-N 3.09Å; H25-I82 HydrophobicContact CB-CG2 3.73Å |
| 26 | V | 90.3 | Very high | 73.7 | Confident | 11 Ų | 11 | 99.8 Ų | 99.8 | 7% | 0.067 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 112.6 | -175.1 | -170 | 0 | 0 | 0 | 0 | 112.1 | Y23 I79 I82 A99 L106 | Y23-V26 PolarHBondContact O-N 3.35Å; V26-I79 HydrophobicContact CG2-CD1 3.65Å; V26-I82 HydrophobicContact CG2-CD1 3.76Å; V26-I82 HydrophobicContact CG2-CG2 4.33Å; V26-A99 HydrophobicContact CG1-CB 4.41Å; V26-A99 HydrophobicContact CG2-CB 4.1Å; V26-L106 HydrophobicContact CG1-CD1 4.03Å |
| 27 | R | 90.9 | Very high | 76.7 | Confident | 123 Ų | 123 | 96.8 Ų | 96.8 | 46% | 0.464 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.5 | -179.8 | -56.9 | -173 | -171.5 | 171.3 | 3.1 | 110.9 | A99 Y100 Y101 | R27-A99 PolarHBondContact N-O 2.97Å; R27-Y100 HydrophobicContact CB-CD1 4.16Å; R27-Y100 CarbonylContact O-C 3.42Å; R27-Y100 WeakPolarHBondContact O-CA 3.31Å; R27-Y101 PolarHBondContact O-N 2.82Å |
| 28 | R | 89.9 | Confident | 79.5 | Confident | 70 Ų | 70 | 90.8 Ų | 90.8 | 26% | 0.264 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -120.9 | -5.9 | -179.4 | -76.1 | -179.9 | 165 | -164.2 | -6.8 | 113.1 | S20 E72 Y101 | S20-R28 PolarHBondContact OG-NH1 2.99Å; R28-E72 IonicContact CZ-OE1 2.69Å; R28-E72 VanDerWaalsContact CZ-OE1 3.27Å; R28-E72 IonicContact NH1-OE1 3.94Å; R28-E72 PolarHBondContact NH1-OE1 3.21Å; R28-E72 IonicContact NH2-OE1 3.73Å; R28-E72 PolarHBondContact NH2-OE1 2.92Å; R28-Y101 HydrophobicContact CG-CD1 4.25Å |
| 29 | D | 88.6 | Confident | 82.2 | Confident | 131 Ų | 131 | 86.1 Ų | 86.1 | 70% | 0.701 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -100.1 | -7.9 | -172.4 | 56.3 | -50.6 | 0 | 0 | 0 | 113.4 | ||
| 30 | L | 88.4 | Confident | 84.7 | Confident | 54 Ų | 54 | 78 Ų | 78 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -125.9 | 139.4 | -178.8 | -63.6 | 172.8 | 0 | 0 | 0 | 110.5 | Y100 | L30-Y100 HydrophobicContact CB-CD1 4.45Š|
| 31 | D | 91.3 | Very high | 86.5 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 23% | 0.225 | 39% | 0.385 | C | S | . | . | trans | -78 | 122 | 165.2 | 175.7 | 7.4 | 0 | 0 | 0 | 109 | N33 E34 H102 | D31-N33 PolarHBondContact O-N 3.26Å; D31-N33 VanDerWaalsContact O-N 3.13Å; D31-N33 WeakPolarHBondContact OD1-CB 3.26Å; D31-N33 PolarHBondContact OD1-N 3.47Å; D31-N33 PolarHBondContact OD1-ND2 3.12Å; D31-E34 HydrophobicContact CB-CG 4.12Å; D31-E34 PolarHBondContact O-N 2.98Å; D31-H102 IonicContact OD1-CD2 3.79Å | ||
| 32 | P | 93.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.2 | -26.2 | 175.5 | 23 | -33 | 0 | 0 | 0 | 112.9 | E34 V35 W36 Y100 H102 W107 | P32-E34 VanDerWaalsContact C-N 3.29Å; P32-E34 PolarHBondContact O-N 3.36Å; P32-V35 PolarHBondContact O-N 2.66Å; P32-W36 WeakPolarHBondContact O-CB 3.06Å; P32-W36 PolarHBondContact O-N 3.35Å; P32-Y100 HydrophobicContact CB-CD1 4.29Å; P32-Y100 HydrophobicContact CB-CD2 4.36Å; P32-Y100 HydrophobicContact CB-CG 3.98Å; P32-H102 HydrophobicContact CG-CB 4.36Å; P32-W107 HydrophobicContact CB-CD2 3.81Å; P32-W107 HydrophobicContact CB-CE3 3.8Å; P32-W107 HydrophobicContact CB-CG 4.14Å; P32-W107 HydrophobicContact CB-CZ3 4.24Å; P32-W107 HydrophobicContact CG-CD2 3.54Å; P32-W107 HydrophobicContact CG-CE3 4.02Å; P32-W107 HydrophobicContact CG-CG 3.77Å; P32-W107 HydrophobicContact CG-CH2 4.47Å; P32-W107 HydrophobicContact CG-CZ2 4.06Å; P32-W107 HydrophobicContact CG-CZ3 4.44Å |
| 33 | N | 92.6 | Very high | 88.3 | Confident | 71 Ų | 71 | 69.5 Ų | 69.5 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72.9 | -15.8 | 177.2 | -56.7 | -85.4 | 0 | 0 | 0 | 113.3 | D31 K56 W107 | D31-N33 PolarHBondContact O-N 3.26Å; D31-N33 VanDerWaalsContact O-N 3.13Å; D31-N33 WeakPolarHBondContact OD1-CB 3.26Å; D31-N33 PolarHBondContact OD1-N 3.47Å; D31-N33 PolarHBondContact OD1-ND2 3.12Å; N33-K56 PolarHBondContact O-NZ 2.78Å; N33-W107 WeakPolarHBondContact OD1-CH2 3.36Å |
| 34 | E | 92.3 | Very high | 88.1 | Confident | 138 Ų | 138 | 73.3 Ų | 73.3 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -73.7 | -36 | 170.7 | -71.8 | -175.4 | 146.3 | 0 | 0 | 111.2 | D31 P32 K56 | D31-E34 HydrophobicContact CB-CG 4.12Å; D31-E34 PolarHBondContact O-N 2.98Å; P32-E34 VanDerWaalsContact C-N 3.29Å; P32-E34 PolarHBondContact O-N 3.36Å; E34-K56 WeakPolarHBondContact O-CD 3.46Å |
| 35 | V | 93.4 | Very high | 87.3 | Confident | 34 Ų | 34 | 66 Ų | 66 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -90.6 | -33.9 | -176 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | P32 K56 | P32-V35 PolarHBondContact O-N 2.66Å; V35-K56 PolarHBondContact O-N 2.85Å |
| 36 | W | 95.4 | Very high | 86.1 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145 | -172.6 | -60.1 | 91.4 | 0 | 0 | 0 | 112.6 | P32 A53 K54 N55 K56 A62 L97 Y100 M109 | P32-W36 WeakPolarHBondContact O-CB 3.06Å; P32-W36 PolarHBondContact O-N 3.35Å; W36-A53 HydrophobicContact CB-CB 4.45Å; W36-A53 HydrophobicContact CE3-CB 3.95Å; W36-K54 WeakPolarHBondContact CA-O 3.31Å; W36-K54 VanDerWaalsContact CE3-C 3.49Å; W36-N55 HydrophobicContact CD2-CB 4.45Å; W36-N55 HydrophobicContact CE3-CB 3.9Å; W36-N55 VanDerWaalsContact CE3-N 3.29Å; W36-N55 HydrophobicContact CH2-CB 3.84Å; W36-N55 HydrophobicContact CZ2-CB 4.4Å; W36-N55 HydrophobicContact CZ3-CB 3.57Å; W36-K56 WeakPolarHBondContact O-CE 3.32Å; W36-A62 HydrophobicContact CE3-CB 4.05Å; W36-A62 HydrophobicContact CH2-CB 3.73Å; W36-A62 HydrophobicContact CZ3-CB 3.37Å; W36-L97 HydrophobicContact CH2-CD1 4.16Å; W36-Y100 AromaticContact NE1-CZ 3.98Å; W36-M109 HydrophobicContact CB-CE 4.38Å; W36-M109 HydrophobicContact CD2-CE 3.5Å; W36-M109 HydrophobicContact CE3-CE 3.79Å; W36-M109 HydrophobicContact CG-CE 3.73Å; W36-M109 HydrophobicContact CZ2-CE 4.37Å; W36-M109 HydrophobicContact CZ3-CE 4.34Å |
| 37 | E | 94.8 | Very high | 85 | Confident | 91 Ų | 91 | 69.2 Ų | 69.2 | 43% | 0.425 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.7 | 170.2 | 178.8 | 178.8 | -136.5 | 0 | 0 | 108.4 | V39 A53 K54 K56 | E37-V39 HydrophobicContact CG-CG1 3.94Å; E37-V39 PolarHBondContact O-N 3.1Å; E37-A53 CarbonylContact O-C 3.46Å; E37-A53 VanDerWaalsContact O-CA 3.29Å; E37-A53 WeakPolarHBondContact O-CA 3.49Å; E37-K54 PolarHBondContact N-O 3.33Å; E37-K54 PolarHBondContact O-N 3.07Å; E37-K56 HydrophobicContact CB-CG 4.13Å |
| 38 | I | 94.2 | Very high | 84.2 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 118.6 | 170.9 | -62.8 | -52.1 | 0 | 0 | 0 | 108.8 | Y51 A53 A64 W107 | I38-Y51 HydrophobicContact CD1-CG 4.44Å; I38-Y51 HydrophobicContact CG2-CD1 3.96Å; I38-Y51 HydrophobicContact CG2-CG 4.18Å; I38-A53 HydrophobicContact CD1-CB 3.95Å; I38-A64 HydrophobicContact CD1-CB 4.37Å; I38-W107 HydrophobicContact CD1-CH2 4.37Å; I38-W107 HydrophobicContact CD1-CZ3 3.85Å; I38-W107 HydrophobicContact CG1-CH2 4.31Å; I38-W107 HydrophobicContact CG1-CZ3 4.27Å |
| 39 | V | 90.3 | Very high | 83.8 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 42% | 0.418 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 0.9 | -176 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | E37 K52 K54 | E37-V39 HydrophobicContact CG-CG1 3.94Å; E37-V39 PolarHBondContact O-N 3.1Å; V39-K52 HydrophobicContact CG2-CB 3.99Å; V39-K52 HydrophobicContact CG2-CD 4.01Å; V39-K52 HydrophobicContact CG2-CG 3.74Å; V39-K52 WeakPolarHBondContact CG2-O 3.46Å; V39-K52 PolarHBondContact N-O 2.9Å; V39-K54 HydrophobicContact CG1-CB 3.87Å; V39-K54 HydrophobicContact CG2-CB 4.49Å |
| 40 | G | 86.2 | Confident | 83.9 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 32% | 0.32 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | 172.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y51 K52 | G40-Y51 CarbonylContact O-C 3.58Å; G40-Y51 WeakPolarHBondContact O-CA 3.5Å; G40-K52 PolarHBondContact N-O 3.3Å; G40-K52 PolarHBondContact O-N 3.19Å |
| 41 | E | 88.2 | Confident | 84 | Confident | 107 Ų | 107 | 58.8 Ų | 58.8 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136.3 | 171 | -164.2 | 163.2 | 127.2 | 0 | 0 | 108.8 | K49 Y51 | E41-K49 IonicContact OE1-NZ 3.98Å; E41-K49 PolarHBondContact OE1-NZ 3.37Å; E41-K49 IonicContact OE2-NZ 3.83Å; E41-Y51 HydrophobicContact CB-CD1 4.15Å; E41-Y51 HydrophobicContact CB-CE1 4.28Å; E41-Y51 HydrophobicContact CG-CD1 4.14Å; E41-Y51 HydrophobicContact CG-CE1 4Å; E41-Y51 WeakPolarHBondContact OE2-CE1 3.34Å |
| 42 | L | 80.9 | Confident | 84.1 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 45% | 0.45 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -33.4 | 178.7 | -66.3 | 173.4 | 0 | 0 | 0 | 111.9 | V50 K52 A63 F112 | L42-V50 WeakPolarHBondContact CA-O 3.26Å; L42-V50 HydrophobicContact CB-CG1 4.29Å; L42-V50 WeakPolarHBondContact CB-O 3.4Å; L42-V50 HydrophobicContact CD1-CG1 4.3Å; L42-V50 PolarHBondContact N-O 2.93Å; L42-K52 HydrophobicContact CD1-CB 4.03Å; L42-K52 HydrophobicContact CD2-CB 3.95Å; L42-K52 HydrophobicContact CD2-CD 4.42Å; L42-K52 HydrophobicContact CD2-CG 4.43Å; L42-K52 HydrophobicContact CG-CB 3.85Å; L42-A63 HydrophobicContact CD1-CB 3.95Å; L42-F112 HydrophobicContact CD1-CD2 4.07Å; L42-F112 HydrophobicContact CD1-CE2 4.02Å; L42-F112 HydrophobicContact CD2-CE2 3.95Å |
| 43 | G | 74.1 | Confident | 84.2 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | 174 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V50 | G43-V50 PolarHBondContact N-O 3.4Å; G43-V50 PolarHBondContact O-N 2.94Å |
| 44 | D | 70.3 | Confident | 84.3 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 112 | 171.5 | -69.5 | -60.9 | 0 | 0 | 0 | 109.6 | K49 | D44-K49 WeakPolarHBondContact OD1-CE 3.44Å; D44-K49 VanDerWaalsContact OD1-CG 3.3Å; D44-K49 WeakPolarHBondContact OD1-CG 3.38Å; D44-K49 IonicContact OD1-NZ 2.98Å; D44-K49 PolarHBondContact OD1-NZ 2.99Å; D44-K49 IonicContact OD2-NZ 3.65Å |
| 45 | G | 62.2 | Low | 84.4 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 161.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F47 G48 | G45-F47 PolarHBondContact O-N 3.41Å; G45-G48 WeakPolarHBondContact CA-O 3.5Å; G45-G48 PolarHBondContact N-O 3.02Å; G45-G48 PolarHBondContact O-N 2.87Å |
| 46 | A | 60.8 | Low | 84.4 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 73% | 0.727 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 47 | F | 66.3 | Low | 84.2 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | -2.2 | -177.9 | -54.2 | -73.9 | 0 | 0 | 0 | 114.2 | G45 I67 Y78 V178 | G45-F47 PolarHBondContact O-N 3.41Å; F47-I67 HydrophobicContact CB-CD1 4.3Å; F47-Y78 HydrophobicContact CB-CE1 3.93Å; F47-Y78 HydrophobicContact CD1-CE1 4.14Å; F47-Y78 HydrophobicContact CG-CE1 4.11Å; F47-V178 HydrophobicContact CZ-CG2 4.49Å |
| 48 | G | 73.9 | Confident | 84.1 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 22% | 0.216 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | 170.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G45 V66 | G45-G48 WeakPolarHBondContact CA-O 3.5Å; G45-G48 PolarHBondContact N-O 3.02Å; G45-G48 PolarHBondContact O-N 2.87Å; G48-V66 WeakPolarHBondContact CA-O 3.41Å |
| 49 | K | 83.1 | Confident | 83.9 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139.2 | -179.3 | -79.3 | -172.7 | 170.8 | -68.7 | 0 | 111.2 | E41 D44 Y51 V66 | E41-K49 IonicContact OE1-NZ 3.98Å; E41-K49 PolarHBondContact OE1-NZ 3.37Å; E41-K49 IonicContact OE2-NZ 3.83Å; D44-K49 WeakPolarHBondContact OD1-CE 3.44Å; D44-K49 VanDerWaalsContact OD1-CG 3.3Å; D44-K49 WeakPolarHBondContact OD1-CG 3.38Å; D44-K49 IonicContact OD1-NZ 2.98Å; D44-K49 PolarHBondContact OD1-NZ 2.99Å; D44-K49 IonicContact OD2-NZ 3.65Å; K49-Y51 HydrophobicContact CB-CD2 4.35Å; K49-Y51 HydrophobicContact CB-CE2 3.59Å; K49-Y51 WeakPolarHBondContact CD-OH 3.4Å; K49-V66 PolarHBondContact N-O 3.14Å; K49-V66 PolarHBondContact O-N 3.22Å |
| 50 | V | 89.2 | Confident | 84 | Confident | 34 Ų | 34 | 65 Ų | 65 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.8 | 175.7 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | L42 G43 A63 A64 K65 | L42-V50 WeakPolarHBondContact CA-O 3.26Å; L42-V50 HydrophobicContact CB-CG1 4.29Å; L42-V50 WeakPolarHBondContact CB-O 3.4Å; L42-V50 HydrophobicContact CD1-CG1 4.3Å; L42-V50 PolarHBondContact N-O 2.93Å; G43-V50 PolarHBondContact N-O 3.4Å; G43-V50 PolarHBondContact O-N 2.94Å; V50-A63 HydrophobicContact CG1-CB 4.08Å; V50-A64 WeakPolarHBondContact CA-O 3.43Å; V50-K65 HydrophobicContact CG2-CG 4.42Å |
| 51 | Y | 91.8 | Very high | 84.3 | Confident | 58 Ų | 58 | 66.7 Ų | 66.7 | 23% | 0.227 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 152.3 | 179.5 | -62.7 | -79 | 0 | 0 | 0 | 111.8 | I38 G40 E41 K49 A63 A64 V66 | I38-Y51 HydrophobicContact CD1-CG 4.44Å; I38-Y51 HydrophobicContact CG2-CD1 3.96Å; I38-Y51 HydrophobicContact CG2-CG 4.18Å; G40-Y51 CarbonylContact O-C 3.58Å; G40-Y51 WeakPolarHBondContact O-CA 3.5Å; E41-Y51 HydrophobicContact CB-CD1 4.15Å; E41-Y51 HydrophobicContact CB-CE1 4.28Å; E41-Y51 HydrophobicContact CG-CD1 4.14Å; E41-Y51 HydrophobicContact CG-CE1 4Å; E41-Y51 WeakPolarHBondContact OE2-CE1 3.34Å; K49-Y51 HydrophobicContact CB-CD2 4.35Å; K49-Y51 HydrophobicContact CB-CE2 3.59Å; K49-Y51 WeakPolarHBondContact CD-OH 3.4Å; Y51-A63 CarbonylContact O-C 3.57Å; Y51-A63 WeakPolarHBondContact O-CA 3.45Å; Y51-A64 PolarHBondContact N-O 3.36Å; Y51-A64 PolarHBondContact O-N 3.26Å; Y51-V66 HydrophobicContact CD2-CB 4.23Å; Y51-V66 HydrophobicContact CD2-CG2 3.84Å; Y51-V66 HydrophobicContact CE2-CB 4.15Å; Y51-V66 HydrophobicContact CE2-CG2 4.21Å |
| 52 | K | 92.9 | Very high | 84.6 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 27% | 0.265 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 120.6 | 164.2 | -165.3 | 177.5 | -179 | 178.8 | 0 | 107.8 | V39 G40 L42 F112 | V39-K52 HydrophobicContact CG2-CB 3.99Å; V39-K52 HydrophobicContact CG2-CD 4.01Å; V39-K52 HydrophobicContact CG2-CG 3.74Å; V39-K52 WeakPolarHBondContact CG2-O 3.46Å; V39-K52 PolarHBondContact N-O 2.9Å; G40-K52 PolarHBondContact N-O 3.3Å; G40-K52 PolarHBondContact O-N 3.19Å; L42-K52 HydrophobicContact CD1-CB 4.03Å; L42-K52 HydrophobicContact CD2-CB 3.95Å; L42-K52 HydrophobicContact CD2-CD 4.42Å; L42-K52 HydrophobicContact CD2-CG 4.43Å; L42-K52 HydrophobicContact CG-CB 3.85Å; K52-F112 HydrophobicContact CD-CE2 4.09Å; K52-F112 HydrophobicContact CD-CZ 4.17Å; K52-F112 HydrophobicContact CG-CD2 4.23Å; K52-F112 HydrophobicContact CG-CE2 4.16Å |
| 53 | A | 95.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 154.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | W36 E37 I38 L61 A62 A64 M109 | W36-A53 HydrophobicContact CB-CB 4.45Å; W36-A53 HydrophobicContact CE3-CB 3.95Å; E37-A53 CarbonylContact O-C 3.46Å; E37-A53 VanDerWaalsContact O-CA 3.29Å; E37-A53 WeakPolarHBondContact O-CA 3.49Å; I38-A53 HydrophobicContact CD1-CB 3.95Å; A53-L61 WeakPolarHBondContact O-CA 3.4Å; A53-A62 HydrophobicContact CB-CB 4.38Å; A53-A62 PolarHBondContact N-O 2.76Å; A53-A62 PolarHBondContact O-N 3.22Å; A53-A64 HydrophobicContact CB-CB 4.15Å; A53-M109 HydrophobicContact CB-CE 3.67Å |
| 54 | K | 95.1 | Very high | 86.2 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.5 | 173.6 | -174.9 | -174.2 | 172.8 | -166 | 0 | 109.1 | W36 E37 V39 K56 T60 L61 | W36-K54 WeakPolarHBondContact CA-O 3.31Å; W36-K54 VanDerWaalsContact CE3-C 3.49Å; E37-K54 PolarHBondContact N-O 3.33Å; E37-K54 PolarHBondContact O-N 3.07Å; V39-K54 HydrophobicContact CG1-CB 3.87Å; V39-K54 HydrophobicContact CG2-CB 4.49Å; K54-K56 PolarHBondContact O-N 2.9Å; K54-T60 CarbonylContact C-O 3.58Å; K54-T60 WeakPolarHBondContact CA-O 3.47Å; K54-L61 HydrophobicContact CB-CD2 4.03Å; K54-L61 HydrophobicContact CG-CD2 4.17Å |
| 55 | N | 94.3 | Very high | 87.2 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.08 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 130.2 | 174.9 | -174.1 | -81.7 | 0 | 0 | 0 | 109.3 | W36 E57 T58 G59 T60 | W36-N55 HydrophobicContact CD2-CB 4.45Å; W36-N55 HydrophobicContact CE3-CB 3.9Å; W36-N55 VanDerWaalsContact CE3-N 3.29Å; W36-N55 HydrophobicContact CH2-CB 3.84Å; W36-N55 HydrophobicContact CZ2-CB 4.4Å; W36-N55 HydrophobicContact CZ3-CB 3.57Å; N55-E57 PolarHBondContact O-N 3.37Å; N55-E57 PolarHBondContact OD1-N 2.77Å; N55-T58 WeakPolarHBondContact CB-OG1 3.06Å; N55-T58 PolarHBondContact OD1-N 3.16Å; N55-T58 PolarHBondContact OD1-OG1 2.64Å; N55-G59 WeakPolarHBondContact O-CA 3.45Å; N55-G59 PolarHBondContact O-N 2.81Å; N55-T60 PolarHBondContact N-O 3.38Å |
| 56 | K | 92.9 | Very high | 88.5 | Confident | 117 Ų | 117 | 51.5 Ų | 51.5 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -25.9 | -173.9 | -72.8 | 172.5 | 171.7 | 175.9 | 0 | 113.7 | N33 E34 V35 W36 E37 K54 | N33-K56 PolarHBondContact O-NZ 2.78Å; E34-K56 WeakPolarHBondContact O-CD 3.46Å; V35-K56 PolarHBondContact O-N 2.85Å; W36-K56 WeakPolarHBondContact O-CE 3.32Å; E37-K56 HydrophobicContact CB-CG 4.13Å; K54-K56 PolarHBondContact O-N 2.9Å |
| 57 | E | 92.6 | Very high | 89.9 | Confident | 176 Ų | 176 | 47.4 Ų | 47.4 | 82% | 0.822 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -49.7 | -179.6 | -57.4 | -175.6 | 144.7 | 0 | 0 | 111.9 | N55 | N55-E57 PolarHBondContact O-N 3.37Å; N55-E57 PolarHBondContact OD1-N 2.77Å |
| 58 | T | 92.3 | Very high | 90.9 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 57% | 0.571 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -14.3 | -173.1 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | N55 T60 | N55-T58 WeakPolarHBondContact CB-OG1 3.06Å; N55-T58 PolarHBondContact OD1-N 3.16Å; N55-T58 PolarHBondContact OD1-OG1 2.64Å; T58-T60 WeakPolarHBondContact CB-OG1 3.37Å; T58-T60 PolarHBondContact O-N 2.58Å; T58-T60 WeakPolarHBondContact OG1-CB 3.4Å; T58-T60 PolarHBondContact OG1-N 3.05Å; T58-T60 PolarHBondContact OG1-OG1 3.49Å |
| 59 | G | 89.7 | Confident | 91.4 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | trans | 71.5 | -0.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N55 | N55-G59 WeakPolarHBondContact O-CA 3.45Å; N55-G59 PolarHBondContact O-N 2.81Å | ||
| 60 | T | 91.7 | Very high | 91.1 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | trans | -59.2 | 137.4 | -178.8 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | K54 N55 T58 | K54-T60 CarbonylContact C-O 3.58Å; K54-T60 WeakPolarHBondContact CA-O 3.47Å; N55-T60 PolarHBondContact N-O 3.38Å; T58-T60 WeakPolarHBondContact CB-OG1 3.37Å; T58-T60 PolarHBondContact O-N 2.58Å; T58-T60 WeakPolarHBondContact OG1-CB 3.4Å; T58-T60 PolarHBondContact OG1-N 3.05Å; T58-T60 PolarHBondContact OG1-OG1 3.49Å | ||
| 61 | L | 93.1 | Very high | 90.4 | Very high | 66 Ų | 66 | 58 Ų | 58 | 35% | 0.346 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 140.2 | 175.1 | -66 | 175.8 | 0 | 0 | 0 | 111.6 | A53 K54 F112 | A53-L61 WeakPolarHBondContact O-CA 3.4Å; K54-L61 HydrophobicContact CB-CD2 4.03Å; K54-L61 HydrophobicContact CG-CD2 4.17Å; L61-F112 HydrophobicContact CB-CB 3.77Å; L61-F112 HydrophobicContact CB-CD1 3.87Å; L61-F112 HydrophobicContact CB-CG 4.03Å; L61-F112 HydrophobicContact CD1-CD1 3.85Å; L61-F112 HydrophobicContact CD1-CE1 4.12Å; L61-F112 WeakPolarHBondContact O-CB 3.26Å |
| 62 | A | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 159.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W36 A53 L97 M109 I110 | W36-A62 HydrophobicContact CE3-CB 4.05Å; W36-A62 HydrophobicContact CH2-CB 3.73Å; W36-A62 HydrophobicContact CZ3-CB 3.37Å; A53-A62 HydrophobicContact CB-CB 4.38Å; A53-A62 PolarHBondContact N-O 2.76Å; A53-A62 PolarHBondContact O-N 3.22Å; A62-L97 HydrophobicContact CB-CD1 3.72Å; A62-M109 HydrophobicContact CB-CE 4Å; A62-I110 CarbonylContact C-O 3.59Å; A62-I110 WeakPolarHBondContact CA-O 3.39Å; A62-I110 WeakPolarHBondContact CB-O 3.35Å |
| 63 | A | 93.9 | Very high | 88.5 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | L42 V50 Y51 M109 I110 | L42-A63 HydrophobicContact CD1-CB 3.95Å; V50-A63 HydrophobicContact CG1-CB 4.08Å; Y51-A63 CarbonylContact O-C 3.57Å; Y51-A63 WeakPolarHBondContact O-CA 3.45Å; A63-M109 WeakPolarHBondContact O-CA 3.27Å; A63-I110 HydrophobicContact CB-CD1 4.46Å; A63-I110 HydrophobicContact CB-CG1 3.91Å; A63-I110 PolarHBondContact N-O 2.89Å; A63-I110 PolarHBondContact O-N 3.21Å |
| 64 | A | 93.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 103.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | I38 V50 Y51 A53 V66 W107 M109 | I38-A64 HydrophobicContact CD1-CB 4.37Å; V50-A64 WeakPolarHBondContact CA-O 3.43Å; Y51-A64 PolarHBondContact N-O 3.36Å; Y51-A64 PolarHBondContact O-N 3.26Å; A53-A64 HydrophobicContact CB-CB 4.15Å; A64-V66 HydrophobicContact CB-CG2 4.28Å; A64-V66 PolarHBondContact O-N 3.34Å; A64-W107 HydrophobicContact CB-CE3 4.37Å; A64-M109 HydrophobicContact CB-CE 3.64Å; A64-M109 HydrophobicContact CB-SD 3.55Å; A64-M109 VanDerWaalsContact CB-SD 3.55Å |
| 65 | K | 91.2 | Very high | 86.7 | Confident | 18 Ų | 18 | 60 Ų | 60 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 104.4 | 171.9 | -173 | -175.4 | -170.2 | -175.7 | 0 | 107 | V50 I67 E81 I108 D175 | V50-K65 HydrophobicContact CG2-CG 4.42Å; K65-I67 HydrophobicContact CD-CD1 4.4Å; K65-I67 HydrophobicContact CG-CD1 4.3Å; K65-I67 HydrophobicContact CG-CG1 4.37Å; K65-E81 IonicContact NZ-OE1 2.72Å; K65-E81 PolarHBondContact NZ-OE1 3.11Å; K65-E81 IonicContact NZ-OE2 3.42Å; K65-E81 PolarHBondContact NZ-OE2 3.32Å; K65-I108 HydrophobicContact CB-CB 4.29Å; K65-I108 HydrophobicContact CD-CD1 4.48Å; K65-I108 PolarHBondContact N-O 2.86Å; K65-I108 PolarHBondContact O-N 3.42Å; K65-D175 IonicContact NZ-OD1 3.41Å; K65-D175 PolarHBondContact NZ-OD1 3.45Å |
| 66 | V | 90.8 | Very high | 85.8 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.5 | -175.6 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | G48 K49 Y51 A64 K105 L106 W107 | G48-V66 WeakPolarHBondContact CA-O 3.41Å; K49-V66 PolarHBondContact N-O 3.14Å; K49-V66 PolarHBondContact O-N 3.22Å; Y51-V66 HydrophobicContact CD2-CB 4.23Å; Y51-V66 HydrophobicContact CD2-CG2 3.84Å; Y51-V66 HydrophobicContact CE2-CB 4.15Å; Y51-V66 HydrophobicContact CE2-CG2 4.21Å; A64-V66 HydrophobicContact CB-CG2 4.28Å; A64-V66 PolarHBondContact O-N 3.34Å; V66-K105 HydrophobicContact CG1-CB 4.32Å; V66-K105 HydrophobicContact CG1-CD 4.46Å; V66-L106 WeakPolarHBondContact CA-O 3.45Å; V66-W107 HydrophobicContact CG1-CD2 4.4Å; V66-W107 HydrophobicContact CG1-CG 4.47Å; V66-W107 HydrophobicContact CG2-CD2 3.67Å; V66-W107 HydrophobicContact CG2-CE3 3.79Å; V66-W107 HydrophobicContact CG2-CG 4.06Å; V66-W107 HydrophobicContact CG2-CZ2 4.47Å; V66-W107 HydrophobicContact CG2-CZ3 4.27Å |
| 67 | I | 89.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.5 | -170.7 | -57.9 | 178.5 | 0 | 0 | 0 | 108.3 | F47 K65 T69 Y78 K105 L106 | F47-I67 HydrophobicContact CB-CD1 4.3Å; K65-I67 HydrophobicContact CD-CD1 4.4Å; K65-I67 HydrophobicContact CG-CD1 4.3Å; K65-I67 HydrophobicContact CG-CG1 4.37Å; I67-T69 HydrophobicContact CG2-CG2 4.32Å; I67-Y78 HydrophobicContact CD1-CD1 3.77Å; I67-Y78 HydrophobicContact CD1-CE1 3.84Å; I67-Y78 HydrophobicContact CD1-CG 4.28Å; I67-Y78 HydrophobicContact CG2-CD2 4.3Å; I67-Y78 HydrophobicContact CG2-CE1 4.29Å; I67-Y78 HydrophobicContact CG2-CE2 3.78Å; I67-K105 CarbonylContact O-C 3.56Å; I67-K105 WeakPolarHBondContact O-CA 3.42Å; I67-L106 HydrophobicContact CB-CB 4.36Å; I67-L106 PolarHBondContact N-O 3.03Å; I67-L106 PolarHBondContact O-N 3.2Å |
| 68 | E | 88 | Confident | 84.3 | Confident | 139 Ų | 139 | 53 Ų | 53 | 65% | 0.65 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.9 | 173.2 | -78.1 | 173.8 | 179.3 | 0 | 0 | 110.1 | K105 | E68-K105 HydrophobicContact CG-CD 3.9Å; E68-K105 HydrophobicContact CG-CG 3.93Å; E68-K105 WeakPolarHBondContact OE1-CE 3.47Å; E68-K105 IonicContact OE1-NZ 3.27Å; E68-K105 PolarHBondContact OE1-NZ 3.35Å |
| 69 | T | 83 | Confident | 83.8 | Confident | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | trans | -114.5 | 135.3 | 179.5 | 66.4 | 0 | 0 | 0 | 0 | 110.5 | I67 Y78 Y101 G104 | I67-T69 HydrophobicContact CG2-CG2 4.32Å; T69-Y78 HydrophobicContact CG2-CE2 4.47Å; T69-Y101 WeakPolarHBondContact OG1-CE2 3.45Å; T69-Y101 PolarHBondContact OG1-OH 3.38Å; T69-G104 PolarHBondContact N-O 3.48Å; T69-G104 PolarHBondContact OG1-O 2.92Å | ||
| 70 | K | 77.6 | Confident | 83.1 | Confident | 189 Ų | 189 | 49.4 Ų | 49.4 | 82% | 0.822 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -93.4 | -14.5 | -179.4 | -62.5 | 165.1 | -174.8 | 165 | 0 | 112.1 | E74 | K70-E74 WeakPolarHBondContact CB-OE2 3.27Å; K70-E74 PolarHBondContact N-OE2 2.96Å |
| 71 | S | 74.7 | Confident | 82.7 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -153.5 | 157.8 | 176.5 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | E73 E74 L75 | S71-E73 PolarHBondContact O-N 2.96Å; S71-E73 PolarHBondContact OG-N 3.26Å; S71-E74 PolarHBondContact O-N 2.99Å; S71-E74 PolarHBondContact OG-N 2.87Å; S71-L75 PolarHBondContact O-N 2.81Å |
| 72 | E | 71.9 | Confident | 82.4 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -13.9 | 172.5 | -169.2 | 167.6 | -134 | 0 | 0 | 112.6 | R28 | R28-E72 IonicContact CZ-OE1 2.69Å; R28-E72 VanDerWaalsContact CZ-OE1 3.27Å; R28-E72 IonicContact NH1-OE1 3.94Å; R28-E72 PolarHBondContact NH1-OE1 3.21Å; R28-E72 IonicContact NH2-OE1 3.73Å; R28-E72 PolarHBondContact NH2-OE1 2.92Å |
| 73 | E | 72.9 | Confident | 81.9 | Confident | 119 Ų | 119 | 47.9 Ų | 47.9 | 56% | 0.556 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -84 | -27.8 | 176.1 | -67 | 173 | -163.8 | 0 | 0 | 111.7 | R18 S71 L75 | R18-E73 IonicContact CZ-OE1 3.53Å; R18-E73 IonicContact NH1-OE1 3.69Å; R18-E73 PolarHBondContact NH1-OE1 2.89Å; R18-E73 IonicContact NH2-OE1 3.96Å; R18-E73 PolarHBondContact NH2-OE1 3.28Å; S71-E73 PolarHBondContact O-N 2.96Å; S71-E73 PolarHBondContact OG-N 3.26Å; E73-L75 VanDerWaalsContact C-N 3.35Å |
| 74 | E | 73.7 | Confident | 81.5 | Confident | 77 Ų | 77 | 47.9 Ų | 47.9 | 36% | 0.36 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.4 | -31.2 | 166.8 | -71.7 | 175 | 172 | 0 | 0 | 112 | K70 S71 E76 D77 Y78 | K70-E74 WeakPolarHBondContact CB-OE2 3.27Å; K70-E74 PolarHBondContact N-OE2 2.96Å; S71-E74 PolarHBondContact O-N 2.99Å; S71-E74 PolarHBondContact OG-N 2.87Å; E74-E76 PolarHBondContact O-N 3.24Å; E74-D77 WeakPolarHBondContact O-CB 3.41Å; E74-D77 PolarHBondContact O-N 2.63Å; E74-Y78 VanDerWaalsContact O-CD2 3.31Å; E74-Y78 WeakPolarHBondContact O-CD2 3.4Å |
| 75 | L | 78.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 179.6 | 176.9 | 61.3 | 0 | 0 | 0 | 112.4 | Y23 S71 E73 D77 Y78 I79 Y101 L106 | Y23-L75 HydrophobicContact CD2-CD2 4.26Å; Y23-L75 HydrophobicContact CE2-CD2 3.79Å; Y23-L75 HydrophobicContact CE2-CG 4.39Å; S71-L75 PolarHBondContact O-N 2.81Å; E73-L75 VanDerWaalsContact C-N 3.35Å; L75-D77 PolarHBondContact O-N 2.87Å; L75-D77 VanDerWaalsContact O-N 3.12Å; L75-Y78 PolarHBondContact O-N 3.05Å; L75-I79 HydrophobicContact CD1-CD1 4.02Å; L75-I79 HydrophobicContact CG-CD1 4.02Å; L75-I79 HydrophobicContact CG-CG1 4.25Å; L75-I79 WeakPolarHBondContact O-CG1 3.27Å; L75-I79 PolarHBondContact O-N 2.95Å; L75-I79 VanDerWaalsContact O-N 3.09Å; L75-Y101 HydrophobicContact CD1-CD2 3.93Å; L75-Y101 HydrophobicContact CD1-CE2 4.15Å; L75-Y101 HydrophobicContact CD2-CD2 3.92Å; L75-Y101 HydrophobicContact CD2-CE2 3.93Å; L75-Y101 HydrophobicContact CD2-CG 4.27Å; L75-L106 HydrophobicContact CD1-CB 4.29Å; L75-L106 HydrophobicContact CD1-CD1 3.98Å; L75-L106 HydrophobicContact CD1-CD2 3.88Å; L75-L106 HydrophobicContact CD1-CG 4.28Å |
| 76 | E | 76.3 | Confident | 81 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.5 | -29.5 | 178.9 | -72.1 | -175.1 | -157.3 | 0 | 0 | 112.7 | R21 Y23 E74 Y78 | R21-E76 IonicContact CZ-OE1 2.62Å; R21-E76 IonicContact NE-OE1 3.56Å; R21-E76 IonicContact NH1-OE1 2.79Å; R21-E76 PolarHBondContact NH1-OE1 3.32Å; R21-E76 IonicContact NH1-OE2 3.68Å; R21-E76 PolarHBondContact NH1-OE2 2.77Å; Y23-E76 VanDerWaalsContact OH-CG 3.27Å; Y23-E76 WeakPolarHBondContact OH-CG 3.46Å; E74-E76 PolarHBondContact O-N 3.24Å; E76-Y78 PolarHBondContact O-N 3.31Å |
| 77 | D | 71.9 | Confident | 80.8 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.4 | -10.9 | 179.1 | -135.7 | 31.5 | 0 | 0 | 0 | 113.3 | E74 L75 K181 R189 | E74-D77 WeakPolarHBondContact O-CB 3.41Å; E74-D77 PolarHBondContact O-N 2.63Å; L75-D77 PolarHBondContact O-N 2.87Å; L75-D77 VanDerWaalsContact O-N 3.12Å; D77-K181 VanDerWaalsContact CG-CE 3.42Å; D77-K181 WeakPolarHBondContact O-CE 3.48Å; D77-K181 PolarHBondContact O-NZ 3.27Å; D77-K181 WeakPolarHBondContact OD1-CE 3.31Å; D77-K181 IonicContact OD1-NZ 2.75Å; D77-K181 WeakPolarHBondContact OD2-CE 3.35Å; D77-K181 IonicContact OD2-NZ 2.81Å; D77-K181 PolarHBondContact OD2-NZ 2.97Å; D77-R189 IonicContact OD1-CZ 2.82Å; D77-R189 IonicContact OD1-NH2 3.99Å; D77-R189 PolarHBondContact OD1-NH2 3.15Å; D77-R189 IonicContact OD2-CZ 2.92Å; D77-R189 IonicContact OD2-NH2 2.6Å; D77-R189 PolarHBondContact OD2-NH2 3.12Å |
| 78 | Y | 80.3 | Confident | 80.8 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -112.8 | -23.4 | 175.6 | -58.4 | -70.5 | 0 | 0 | 0 | 113.6 | F47 I67 T69 E74 L75 E76 V80 E81 I82 L106 | F47-Y78 HydrophobicContact CB-CE1 3.93Å; F47-Y78 HydrophobicContact CD1-CE1 4.14Å; F47-Y78 HydrophobicContact CG-CE1 4.11Å; I67-Y78 HydrophobicContact CD1-CD1 3.77Å; I67-Y78 HydrophobicContact CD1-CE1 3.84Å; I67-Y78 HydrophobicContact CD1-CG 4.28Å; I67-Y78 HydrophobicContact CG2-CD2 4.3Å; I67-Y78 HydrophobicContact CG2-CE1 4.29Å; I67-Y78 HydrophobicContact CG2-CE2 3.78Å; T69-Y78 HydrophobicContact CG2-CE2 4.47Å; E74-Y78 VanDerWaalsContact O-CD2 3.31Å; E74-Y78 WeakPolarHBondContact O-CD2 3.4Å; L75-Y78 PolarHBondContact O-N 3.05Å; E76-Y78 PolarHBondContact O-N 3.31Å; Y78-V80 PolarHBondContact O-N 3.33Å; Y78-E81 WeakPolarHBondContact O-CB 3.44Å; Y78-E81 PolarHBondContact O-N 3.1Å; Y78-I82 PolarHBondContact O-N 2.89Å; Y78-L106 VanDerWaalsContact CB-CD2 3.46Å; Y78-L106 HydrophobicContact CD2-CD2 4.41Å; Y78-L106 HydrophobicContact CG-CD2 4.08Å |
| 79 | I | 81.7 | Confident | 80.9 | Confident | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53 | -38.3 | 172.3 | -62.4 | -54.2 | 0 | 0 | 0 | 110.9 | Y23 V26 L75 E81 I82 E83 | Y23-I79 HydrophobicContact CD1-CB 4.47Å; Y23-I79 HydrophobicContact CD1-CD1 3.92Å; Y23-I79 HydrophobicContact CD1-CG1 3.76Å; Y23-I79 HydrophobicContact CD1-CG2 3.92Å; Y23-I79 HydrophobicContact CD2-CD1 3.88Å; Y23-I79 HydrophobicContact CD2-CG1 4.35Å; Y23-I79 HydrophobicContact CE1-CD1 4.31Å; Y23-I79 HydrophobicContact CE1-CG1 3.77Å; Y23-I79 HydrophobicContact CE1-CG2 4.37Å; Y23-I79 HydrophobicContact CE2-CD1 4.27Å; Y23-I79 HydrophobicContact CE2-CG1 4.35Å; Y23-I79 HydrophobicContact CG-CD1 3.69Å; Y23-I79 HydrophobicContact CG-CG1 4.07Å; V26-I79 HydrophobicContact CG2-CD1 3.65Å; L75-I79 HydrophobicContact CD1-CD1 4.02Å; L75-I79 HydrophobicContact CG-CD1 4.02Å; L75-I79 HydrophobicContact CG-CG1 4.25Å; L75-I79 WeakPolarHBondContact O-CG1 3.27Å; L75-I79 PolarHBondContact O-N 2.95Å; L75-I79 VanDerWaalsContact O-N 3.09Å; I79-E81 VanDerWaalsContact C-N 3.32Å; I79-E81 PolarHBondContact O-N 3.35Å; I79-I82 WeakPolarHBondContact O-CB 3.45Å; I79-I82 PolarHBondContact O-N 3.17Å; I79-I82 VanDerWaalsContact O-N 3.08Å; I79-E83 HydrophobicContact CG2-CG 4.15Å; I79-E83 WeakPolarHBondContact CG2-OE1 3.24Å; I79-E83 WeakPolarHBondContact O-CG 3.39Å; I79-E83 PolarHBondContact O-N 2.98Å |
| 80 | V | 76.8 | Confident | 81.4 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.6 | -35.5 | 177.6 | 177 | 0 | 0 | 0 | 0 | 113.1 | Y78 I84 A180 | Y78-V80 PolarHBondContact O-N 3.33Å; V80-I84 HydrophobicContact CG1-CD1 4.47Å; V80-I84 WeakPolarHBondContact O-CG1 3.42Å; V80-I84 PolarHBondContact O-N 3.06Å; V80-A180 HydrophobicContact CG1-CB 3.59Å |
| 81 | E | 82.4 | Confident | 82.3 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -40.6 | 174.4 | -173 | -178.3 | 163.4 | 0 | 0 | 110.5 | K65 Y78 I79 I84 L85 F176 G177 | K65-E81 IonicContact NZ-OE1 2.72Å; K65-E81 PolarHBondContact NZ-OE1 3.11Å; K65-E81 IonicContact NZ-OE2 3.42Å; K65-E81 PolarHBondContact NZ-OE2 3.32Å; Y78-E81 WeakPolarHBondContact O-CB 3.44Å; Y78-E81 PolarHBondContact O-N 3.1Å; I79-E81 VanDerWaalsContact C-N 3.32Å; I79-E81 PolarHBondContact O-N 3.35Å; E81-I84 PolarHBondContact O-N 3.42Å; E81-L85 HydrophobicContact CG-CD1 4.14Å; E81-L85 WeakPolarHBondContact O-CB 3.26Å; E81-L85 WeakPolarHBondContact O-CG 3.32Å; E81-L85 PolarHBondContact O-N 3.01Å; E81-F176 HydrophobicContact CG-CB 4.06Å; E81-G177 WeakPolarHBondContact OE2-CA 3.3Å |
| 82 | I | 87.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.1 | -40.8 | -179.4 | -59.8 | 166.1 | 0 | 0 | 0 | 110.7 | H25 V26 Y78 I79 L85 A86 L96 A99 L106 I108 | H25-I82 HydrophobicContact CB-CG2 3.73Å; V26-I82 HydrophobicContact CG2-CD1 3.76Å; V26-I82 HydrophobicContact CG2-CG2 4.33Å; Y78-I82 PolarHBondContact O-N 2.89Å; I79-I82 WeakPolarHBondContact O-CB 3.45Å; I79-I82 PolarHBondContact O-N 3.17Å; I79-I82 VanDerWaalsContact O-N 3.08Å; I82-L85 PolarHBondContact O-N 3.32Å; I82-A86 WeakPolarHBondContact O-CB 3.18Å; I82-A86 PolarHBondContact O-N 2.87Å; I82-L96 HydrophobicContact CG2-CD2 3.95Å; I82-A99 HydrophobicContact CD1-CB 3.74Å; I82-A99 HydrophobicContact CG1-CB 4.23Å; I82-A99 HydrophobicContact CG2-CB 3.94Å; I82-L106 HydrophobicContact CD1-CD1 3.93Å; I82-L106 HydrophobicContact CD1-CD2 4.12Å; I82-L106 HydrophobicContact CD1-CG 4.48Å; I82-I108 HydrophobicContact CD1-CD1 4.07Å; I82-I108 HydrophobicContact CD1-CG1 4.06Å; I82-I108 HydrophobicContact CG1-CD1 3.77Å; I82-I108 HydrophobicContact CG1-CG1 4.05Å; I82-I108 HydrophobicContact CG1-CG2 4.4Å |
| 83 | E | 85.2 | Confident | 84.4 | Confident | 97 Ų | 97 | 43.7 Ų | 43.7 | 45% | 0.453 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.5 | -38.3 | 175.4 | -73 | 176.3 | 178.3 | 0 | 0 | 112.4 | I79 T87 | I79-E83 HydrophobicContact CG2-CG 4.15Å; I79-E83 WeakPolarHBondContact CG2-OE1 3.24Å; I79-E83 WeakPolarHBondContact O-CG 3.39Å; I79-E83 PolarHBondContact O-N 2.98Å; E83-T87 WeakPolarHBondContact O-CB 3.37Å; E83-T87 WeakPolarHBondContact O-CG2 3.35Å; E83-T87 PolarHBondContact O-N 2.96Å; E83-T87 VanDerWaalsContact O-N 3.17Å; E83-T87 PolarHBondContact O-OG1 3.34Å |
| 84 | I | 84.2 | Confident | 85.4 | Confident | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -53.9 | 171.4 | -72.1 | 168.6 | 0 | 0 | 0 | 110.1 | V80 E81 A86 T87 C88 I153 F176 A180 | V80-I84 HydrophobicContact CG1-CD1 4.47Å; V80-I84 WeakPolarHBondContact O-CG1 3.42Å; V80-I84 PolarHBondContact O-N 3.06Å; E81-I84 PolarHBondContact O-N 3.42Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 2.92Å; I84-T87 CarbonylContact O-C 3.41Å; I84-T87 PolarHBondContact O-N 3.43Å; I84-T87 VanDerWaalsContact O-N 3.08Å; I84-T87 PolarHBondContact O-OG1 3.42Å; I84-T87 VanDerWaalsContact O-OG1 3.1Å; I84-C88 VanDerWaalsContact O-CB 3.26Å; I84-C88 WeakPolarHBondContact O-CB 3.47Å; I84-C88 PolarHBondContact O-N 3Å; I84-C88 PolarHBondContact O-SG 3.06Å; I84-I153 HydrophobicContact CD1-CG2 4.22Å; I84-I153 HydrophobicContact CG1-CG2 4.44Å; I84-I153 HydrophobicContact CG2-CD1 4.38Å; I84-I153 HydrophobicContact CG2-CG2 4.23Å; I84-F176 HydrophobicContact CG2-CB 4.09Å; I84-F176 HydrophobicContact CG2-CD1 3.61Å; I84-F176 HydrophobicContact CG2-CE1 4.19Å; I84-F176 HydrophobicContact CG2-CG 3.88Å; I84-A180 HydrophobicContact CD1-CB 3.79Å |
| 85 | L | 88 | Confident | 86.3 | Confident | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -33.2 | -176.5 | -71 | 173.3 | 0 | 0 | 0 | 112.8 | E81 I82 T87 V94 L96 I108 I110 F176 | E81-L85 HydrophobicContact CG-CD1 4.14Å; E81-L85 WeakPolarHBondContact O-CB 3.26Å; E81-L85 WeakPolarHBondContact O-CG 3.32Å; E81-L85 PolarHBondContact O-N 3.01Å; I82-L85 PolarHBondContact O-N 3.32Å; L85-T87 VanDerWaalsContact C-N 3.34Å; L85-V94 HydrophobicContact CD2-CG2 3.81Å; L85-L96 HydrophobicContact CB-CB 4.06Å; L85-L96 HydrophobicContact CB-CD1 4.49Å; L85-L96 HydrophobicContact CB-CD2 4.5Å; L85-I108 HydrophobicContact CD1-CG2 4.43Å; L85-I110 HydrophobicContact CD1-CG2 4.24Å; L85-F176 HydrophobicContact CD2-CD2 3.52Å; L85-F176 HydrophobicContact CD2-CE2 3.82Å; L85-F176 HydrophobicContact CD2-CG 4.37Å; L85-F176 HydrophobicContact CG-CD2 4.27Å |
| 86 | A | 87.8 | Confident | 87 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69 | -29.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I82 I84 L96 | I82-A86 WeakPolarHBondContact O-CB 3.18Å; I82-A86 PolarHBondContact O-N 2.87Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 2.92Å; A86-L96 HydrophobicContact CB-CD2 3.9Å |
| 87 | T | 85.9 | Confident | 87.8 | Confident | 78 Ų | 78 | 39.6 Ų | 39.6 | 48% | 0.479 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -95.6 | -7.4 | -179.9 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | E83 I84 L85 K151 | E83-T87 WeakPolarHBondContact O-CB 3.37Å; E83-T87 WeakPolarHBondContact O-CG2 3.35Å; E83-T87 PolarHBondContact O-N 2.96Å; E83-T87 VanDerWaalsContact O-N 3.17Å; E83-T87 PolarHBondContact O-OG1 3.34Å; I84-T87 CarbonylContact O-C 3.41Å; I84-T87 PolarHBondContact O-N 3.43Å; I84-T87 VanDerWaalsContact O-N 3.08Å; I84-T87 PolarHBondContact O-OG1 3.42Å; I84-T87 VanDerWaalsContact O-OG1 3.1Å; L85-T87 VanDerWaalsContact C-N 3.34Å; T87-K151 PolarHBondContact O-NZ 3.44Å |
| 88 | C | 88.1 | Confident | 88.8 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | trans | -103.7 | 56.7 | -175.3 | -69.3 | 0 | 0 | 0 | 0 | 114.4 | I84 H90 I93 F147 I153 | I84-C88 VanDerWaalsContact O-CB 3.26Å; I84-C88 WeakPolarHBondContact O-CB 3.47Å; I84-C88 PolarHBondContact O-N 3Å; I84-C88 PolarHBondContact O-SG 3.06Å; C88-H90 PolarHBondContact O-N 3.46Å; C88-H90 VanDerWaalsContact O-N 3.11Å; C88-I93 HydrophobicContact CB-CD1 4.28Å; C88-I93 HydrophobicContact CB-CG2 4.2Å; C88-F147 HydrophobicContact CB-CE1 4.04Å; C88-I153 VanDerWaalsContact SG-CD1 3.53Å | ||
| 89 | D | 90.5 | Very high | 89.4 | Confident | 114 Ų | 114 | 36.2 Ų | 36.2 | 61% | 0.61 | 20% | 0.2 | S | C | * | . | trans | -70.1 | 104.5 | 166.4 | -170.4 | 29 | 0 | 0 | 0 | 111 | K95 F147 | D89-K95 IonicContact OD1-NZ 2.72Å; D89-K95 PolarHBondContact OD1-NZ 3.07Å; D89-F147 VanDerWaalsContact O-CZ 3.26Å; D89-F147 WeakPolarHBondContact O-CZ 3.41Å | ||
| 90 | H | 94.9 | Very high | 90 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 13% | 0.125 | 20% | 0.199 | C | C | . | . | trans | -150.3 | 143.8 | 178 | -174.3 | -106.1 | 0 | 0 | 0 | 109.9 | C88 Y92 I93 F147 | C88-H90 PolarHBondContact O-N 3.46Å; C88-H90 VanDerWaalsContact O-N 3.11Å; H90-Y92 AromaticContact CE1-CD2 3.86Å; H90-Y92 PolarHBondContact ND1-N 3.21Å; H90-Y92 PolarHBondContact O-N 3.41Å; H90-Y92 VanDerWaalsContact O-N 3.1Å; H90-I93 HydrophobicContact CB-CB 4.26Å; H90-I93 HydrophobicContact CB-CD1 3.85Å; H90-I93 HydrophobicContact CB-CG1 4.04Å; H90-I93 PolarHBondContact O-N 2.88Å; H90-F147 HydrophobicContact CB-CD1 3.86Å; H90-F147 HydrophobicContact CB-CD2 4.21Å; H90-F147 HydrophobicContact CB-CE1 3.76Å; H90-F147 HydrophobicContact CB-CE2 4.09Å; H90-F147 HydrophobicContact CB-CG 4.08Å; H90-F147 HydrophobicContact CB-CZ 3.85Å; H90-F147 AromaticContact CD2-CD2 3.56Å; H90-F147 AromaticContact CD2-CG 3.63Å; H90-F147 AromaticContact CG-CG 3.86Å | ||
| 91 | P | 95 | Very high | 90.7 | Very high | 80 Ų | 80 | 36.2 Ų | 36.2 | 52% | 0.519 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28 | -176.5 | -28.5 | 36.9 | 0 | 0 | 0 | 115.6 | R172 | P91-R172 WeakPolarHBondContact O-CD 3.37Å; P91-R172 PolarHBondContact O-NE 3.1Å; P91-R172 PolarHBondContact O-NH1 3.27Å |
| 92 | Y | 97 | Very high | 91.1 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 23.2 | -176.3 | -53.8 | -45.1 | 0 | 0 | 0 | 114.1 | H90 Q140 E143 D170 I171 L173 | H90-Y92 AromaticContact CE1-CD2 3.86Å; H90-Y92 PolarHBondContact ND1-N 3.21Å; H90-Y92 PolarHBondContact O-N 3.41Å; H90-Y92 VanDerWaalsContact O-N 3.1Å; Y92-Q140 HydrophobicContact CD1-CB 4.11Å; Y92-Q140 HydrophobicContact CD1-CG 4.22Å; Y92-Q140 HydrophobicContact CD2-CB 3.78Å; Y92-Q140 HydrophobicContact CD2-CG 4.18Å; Y92-Q140 WeakPolarHBondContact CD2-O 3.36Å; Y92-Q140 HydrophobicContact CE1-CB 4.17Å; Y92-Q140 HydrophobicContact CE1-CG 3.77Å; Y92-Q140 VanDerWaalsContact CE1-NE2 3.26Å; Y92-Q140 HydrophobicContact CE2-CB 3.84Å; Y92-Q140 HydrophobicContact CE2-CG 3.73Å; Y92-Q140 HydrophobicContact CG-CB 3.94Å; Y92-Q140 HydrophobicContact CG-CG 4.43Å; Y92-Q140 PolarHBondContact OH-NE2 3.44Å; Y92-E143 HydrophobicContact CD2-CB 4.14Å; Y92-E143 HydrophobicContact CE2-CB 4.22Å; Y92-E143 WeakPolarHBondContact CE2-OE2 3.42Å; Y92-D170 HydrophobicContact CD1-CB 4.45Å; Y92-D170 HydrophobicContact CE1-CB 4.17Å; Y92-I171 HydrophobicContact CD1-CG1 4.24Å; Y92-I171 HydrophobicContact CG-CG1 4.24Å; Y92-L173 WeakPolarHBondContact O-CB 3.48Å; Y92-L173 PolarHBondContact O-N 2.93Å |
| 93 | I | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -125.6 | 140.1 | 175.3 | -62.7 | 178.2 | 0 | 0 | 0 | 108.5 | C88 H90 K95 A144 F147 L148 F176 | C88-I93 HydrophobicContact CB-CD1 4.28Å; C88-I93 HydrophobicContact CB-CG2 4.2Å; H90-I93 HydrophobicContact CB-CB 4.26Å; H90-I93 HydrophobicContact CB-CD1 3.85Å; H90-I93 HydrophobicContact CB-CG1 4.04Å; H90-I93 PolarHBondContact O-N 2.88Å; I93-K95 PolarHBondContact O-N 3.47Å; I93-A144 HydrophobicContact CG1-CB 4.21Å; I93-F147 HydrophobicContact CD1-CD1 3.69Å; I93-F147 HydrophobicContact CD1-CE1 3.93Å; I93-L148 HydrophobicContact CD1-CD1 4.13Å; I93-L148 HydrophobicContact CD1-CD2 3.87Å; I93-L148 HydrophobicContact CD1-CG 3.81Å; I93-F176 HydrophobicContact CG2-CE2 3.78Å; I93-F176 HydrophobicContact CG2-CZ 3.72Å |
| 94 | V | 93.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 124.4 | 179.3 | -68 | 0 | 0 | 0 | 0 | 111.9 | L85 I110 E111 L164 R172 L173 A174 | L85-V94 HydrophobicContact CD2-CG2 3.81Å; V94-I110 HydrophobicContact CB-CD1 4.49Å; V94-I110 HydrophobicContact CG2-CD1 4.29Å; V94-E111 WeakPolarHBondContact CA-OE1 3.23Å; V94-L164 HydrophobicContact CG1-CD1 3.98Å; V94-R172 HydrophobicContact CG1-CB 3.59Å; V94-L173 WeakPolarHBondContact CG2-O 3.47Å; V94-L173 PolarHBondContact N-O 3.39Å; V94-A174 HydrophobicContact CG1-CB 3.76Å; V94-A174 HydrophobicContact CG2-CB 4.11Å |
| 95 | K | 92.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 45 Ų | 45 | 34% | 0.335 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -75.2 | 132.2 | 177.7 | -68.8 | 172.6 | -177.8 | -88.8 | 0 | 112.1 | D89 I93 I110 E111 | D89-K95 IonicContact OD1-NZ 2.72Å; D89-K95 PolarHBondContact OD1-NZ 3.07Å; I93-K95 PolarHBondContact O-N 3.47Å; K95-I110 CarbonylContact O-C 3.49Å; K95-I110 WeakPolarHBondContact O-CA 3.25Å; K95-E111 HydrophobicContact CB-CB 4.46Å; K95-E111 HydrophobicContact CB-CG 4.37Å; K95-E111 PolarHBondContact N-OE1 3.3Å; K95-E111 PolarHBondContact O-N 3.36Å |
| 96 | L | 93.4 | Very high | 91.7 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 124.7 | 167.8 | -172.8 | 67.7 | 0 | 0 | 0 | 110.2 | I82 L85 A86 I108 I110 | I82-L96 HydrophobicContact CG2-CD2 3.95Å; L85-L96 HydrophobicContact CB-CB 4.06Å; L85-L96 HydrophobicContact CB-CD1 4.49Å; L85-L96 HydrophobicContact CB-CD2 4.5Å; A86-L96 HydrophobicContact CB-CD2 3.9Å; L96-I108 HydrophobicContact CD1-CG2 3.7Å; L96-I110 HydrophobicContact CD1-CG2 4.42Å |
| 97 | L | 92.6 | Very high | 91.9 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -17.8 | 172.8 | -56 | -179.9 | 0 | 0 | 0 | 112.1 | W36 A62 M109 | W36-L97 HydrophobicContact CH2-CD1 4.16Å; A62-L97 HydrophobicContact CB-CD1 3.72Å; L97-M109 HydrophobicContact CB-CB 4.23Å; L97-M109 PolarHBondContact N-O 3.3Å |
| 98 | G | 91.9 | Very high | 92.2 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.8 | 166.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | M109 | G98-M109 PolarHBondContact N-O 2.87Å; G98-M109 WeakPolarHBondContact O-CA 3.49Å; G98-M109 VanDerWaalsContact O-CB 3.3Å; G98-M109 WeakPolarHBondContact O-CB 3.41Å; G98-M109 PolarHBondContact O-N 3.17Å |
| 99 | A | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V26 R27 I82 W107 | V26-A99 HydrophobicContact CG1-CB 4.41Å; V26-A99 HydrophobicContact CG2-CB 4.1Å; R27-A99 PolarHBondContact N-O 2.97Å; I82-A99 HydrophobicContact CD1-CB 3.74Å; I82-A99 HydrophobicContact CG1-CB 4.23Å; I82-A99 HydrophobicContact CG2-CB 3.94Å; A99-W107 CarbonylContact C-O 3.52Å; A99-W107 VanDerWaalsContact CA-O 3.25Å; A99-W107 WeakPolarHBondContact CA-O 3.49Å |
| 100 | Y | 93.6 | Very high | 92.6 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 142.2 | -175 | -53.2 | -106.2 | 0 | 0 | 0 | 109.1 | R27 L30 P32 W36 W107 M109 | R27-Y100 HydrophobicContact CB-CD1 4.16Å; R27-Y100 CarbonylContact O-C 3.42Å; R27-Y100 WeakPolarHBondContact O-CA 3.31Å; L30-Y100 HydrophobicContact CB-CD1 4.45Å; P32-Y100 HydrophobicContact CB-CD1 4.29Å; P32-Y100 HydrophobicContact CB-CD2 4.36Å; P32-Y100 HydrophobicContact CB-CG 3.98Å; W36-Y100 AromaticContact NE1-CZ 3.98Å; Y100-W107 PolarHBondContact N-O 2.83Å; Y100-W107 PolarHBondContact O-N 2.89Å; Y100-M109 HydrophobicContact CD2-CG 3.9Å; Y100-M109 HydrophobicContact CE2-CG 3.68Å |
| 101 | Y | 92.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 36.2 Ų | 36.2 | 18% | 0.176 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 105.6 | 175.9 | -177.2 | -94.2 | 0 | 0 | 0 | 109.7 | R27 R28 T69 L75 K105 L106 | R27-Y101 PolarHBondContact O-N 2.82Å; R28-Y101 HydrophobicContact CG-CD1 4.25Å; T69-Y101 WeakPolarHBondContact OG1-CE2 3.45Å; T69-Y101 PolarHBondContact OG1-OH 3.38Å; L75-Y101 HydrophobicContact CD1-CD2 3.93Å; L75-Y101 HydrophobicContact CD1-CE2 4.15Å; L75-Y101 HydrophobicContact CD2-CD2 3.92Å; L75-Y101 HydrophobicContact CD2-CE2 3.93Å; L75-Y101 HydrophobicContact CD2-CG 4.27Å; Y101-K105 WeakPolarHBondContact CA-O 3.41Å; Y101-L106 HydrophobicContact CD2-CB 4.2Å; Y101-L106 HydrophobicContact CD2-CD1 4.49Å |
| 102 | H | 89.9 | Confident | 92.5 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 33% | 0.329 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 139.3 | -171.5 | -167.5 | 93.5 | 0 | 0 | 0 | 110.1 | D31 P32 G104 K105 | D31-H102 IonicContact OD1-CD2 3.79Å; P32-H102 HydrophobicContact CG-CB 4.36Å; H102-G104 VanDerWaalsContact C-N 3.28Å; H102-G104 PolarHBondContact O-N 3.22Å; H102-K105 PolarHBondContact N-O 3.06Å; H102-K105 WeakPolarHBondContact O-CA 3.32Å; H102-K105 WeakPolarHBondContact O-CB 3.48Å; H102-K105 PolarHBondContact O-N 3.26Å |
| 103 | D | 88.6 | Confident | 92.4 | Very high | 137 Ų | 137 | 33.1 Ų | 33.1 | 73% | 0.733 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 43.2 | 178.9 | -162.4 | 38.8 | 0 | 0 | 0 | 114.9 | K105 | D103-K105 PolarHBondContact O-N 3.25Š|
| 104 | G | 86.9 | Confident | 92 | Very high | 27 Ų | 27 | 35 Ų | 35 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 0.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T69 H102 | T69-G104 PolarHBondContact N-O 3.48Å; T69-G104 PolarHBondContact OG1-O 2.92Å; H102-G104 VanDerWaalsContact C-N 3.28Å; H102-G104 PolarHBondContact O-N 3.22Å |
| 105 | K | 90.8 | Very high | 91.7 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.6 | -176 | -52.2 | -168.9 | -169.6 | -157.6 | 0 | 111 | V66 I67 E68 Y101 H102 D103 | V66-K105 HydrophobicContact CG1-CB 4.32Å; V66-K105 HydrophobicContact CG1-CD 4.46Å; I67-K105 CarbonylContact O-C 3.56Å; I67-K105 WeakPolarHBondContact O-CA 3.42Å; E68-K105 HydrophobicContact CG-CD 3.9Å; E68-K105 HydrophobicContact CG-CG 3.93Å; E68-K105 WeakPolarHBondContact OE1-CE 3.47Å; E68-K105 IonicContact OE1-NZ 3.27Å; E68-K105 PolarHBondContact OE1-NZ 3.35Å; Y101-K105 WeakPolarHBondContact CA-O 3.41Å; H102-K105 PolarHBondContact N-O 3.06Å; H102-K105 WeakPolarHBondContact O-CA 3.32Å; H102-K105 WeakPolarHBondContact O-CB 3.48Å; H102-K105 PolarHBondContact O-N 3.26Å; D103-K105 PolarHBondContact O-N 3.25Å |
| 106 | L | 91.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.1 | 167.2 | 178.3 | 66.4 | 0 | 0 | 0 | 109 | V26 V66 I67 L75 Y78 I82 Y101 I108 | V26-L106 HydrophobicContact CG1-CD1 4.03Å; V66-L106 WeakPolarHBondContact CA-O 3.45Å; I67-L106 HydrophobicContact CB-CB 4.36Å; I67-L106 PolarHBondContact N-O 3.03Å; I67-L106 PolarHBondContact O-N 3.2Å; L75-L106 HydrophobicContact CD1-CB 4.29Å; L75-L106 HydrophobicContact CD1-CD1 3.98Å; L75-L106 HydrophobicContact CD1-CD2 3.88Å; L75-L106 HydrophobicContact CD1-CG 4.28Å; Y78-L106 VanDerWaalsContact CB-CD2 3.46Å; Y78-L106 HydrophobicContact CD2-CD2 4.41Å; Y78-L106 HydrophobicContact CG-CD2 4.08Å; I82-L106 HydrophobicContact CD1-CD1 3.93Å; I82-L106 HydrophobicContact CD1-CD2 4.12Å; I82-L106 HydrophobicContact CD1-CG 4.48Å; Y101-L106 HydrophobicContact CD2-CB 4.2Å; Y101-L106 HydrophobicContact CD2-CD1 4.49Å; L106-I108 HydrophobicContact CD2-CD1 4.16Å; L106-I108 HydrophobicContact CD2-CG1 4.18Å; L106-I108 HydrophobicContact CG-CG1 4.11Å |
| 107 | W | 92.9 | Very high | 91.5 | Very high | 22 Ų | 22 | 32 Ų | 32 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 114.3 | 175.1 | -65.9 | 57.6 | 0 | 0 | 0 | 108.2 | P32 N33 I38 A64 V66 A99 Y100 M109 | P32-W107 HydrophobicContact CB-CD2 3.81Å; P32-W107 HydrophobicContact CB-CE3 3.8Å; P32-W107 HydrophobicContact CB-CG 4.14Å; P32-W107 HydrophobicContact CB-CZ3 4.24Å; P32-W107 HydrophobicContact CG-CD2 3.54Å; P32-W107 HydrophobicContact CG-CE3 4.02Å; P32-W107 HydrophobicContact CG-CG 3.77Å; P32-W107 HydrophobicContact CG-CH2 4.47Å; P32-W107 HydrophobicContact CG-CZ2 4.06Å; P32-W107 HydrophobicContact CG-CZ3 4.44Å; N33-W107 WeakPolarHBondContact OD1-CH2 3.36Å; I38-W107 HydrophobicContact CD1-CH2 4.37Å; I38-W107 HydrophobicContact CD1-CZ3 3.85Å; I38-W107 HydrophobicContact CG1-CH2 4.31Å; I38-W107 HydrophobicContact CG1-CZ3 4.27Å; A64-W107 HydrophobicContact CB-CE3 4.37Å; V66-W107 HydrophobicContact CG1-CD2 4.4Å; V66-W107 HydrophobicContact CG1-CG 4.47Å; V66-W107 HydrophobicContact CG2-CD2 3.67Å; V66-W107 HydrophobicContact CG2-CE3 3.79Å; V66-W107 HydrophobicContact CG2-CG 4.06Å; V66-W107 HydrophobicContact CG2-CZ2 4.47Å; V66-W107 HydrophobicContact CG2-CZ3 4.27Å; A99-W107 CarbonylContact C-O 3.52Å; A99-W107 VanDerWaalsContact CA-O 3.25Å; A99-W107 WeakPolarHBondContact CA-O 3.49Å; Y100-W107 PolarHBondContact N-O 2.83Å; Y100-W107 PolarHBondContact O-N 2.89Å; W107-M109 HydrophobicContact CB-SD 4.35Å; W107-M109 HydrophobicContact CE3-SD 4.17Å |
| 108 | I | 92.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 112.9 | 172.3 | -48.1 | -179.9 | 0 | 0 | 0 | 107.5 | K65 I82 L85 L96 L106 I110 | K65-I108 HydrophobicContact CB-CB 4.29Å; K65-I108 HydrophobicContact CD-CD1 4.48Å; K65-I108 PolarHBondContact N-O 2.86Å; K65-I108 PolarHBondContact O-N 3.42Å; I82-I108 HydrophobicContact CD1-CD1 4.07Å; I82-I108 HydrophobicContact CD1-CG1 4.06Å; I82-I108 HydrophobicContact CG1-CD1 3.77Å; I82-I108 HydrophobicContact CG1-CG1 4.05Å; I82-I108 HydrophobicContact CG1-CG2 4.4Å; L85-I108 HydrophobicContact CD1-CG2 4.43Å; L96-I108 HydrophobicContact CD1-CG2 3.7Å; L106-I108 HydrophobicContact CD2-CD1 4.16Å; L106-I108 HydrophobicContact CD2-CG1 4.18Å; L106-I108 HydrophobicContact CG-CG1 4.11Å; I108-I110 HydrophobicContact CG2-CG2 4.14Å |
| 109 | M | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.3 | -178.9 | -49.8 | -58.6 | -61.3 | 0 | 0 | 109 | W36 A53 A62 A63 A64 L97 G98 Y100 W107 | W36-M109 HydrophobicContact CB-CE 4.38Å; W36-M109 HydrophobicContact CD2-CE 3.5Å; W36-M109 HydrophobicContact CE3-CE 3.79Å; W36-M109 HydrophobicContact CG-CE 3.73Å; W36-M109 HydrophobicContact CZ2-CE 4.37Å; W36-M109 HydrophobicContact CZ3-CE 4.34Å; A53-M109 HydrophobicContact CB-CE 3.67Å; A62-M109 HydrophobicContact CB-CE 4Å; A63-M109 WeakPolarHBondContact O-CA 3.27Å; A64-M109 HydrophobicContact CB-CE 3.64Å; A64-M109 HydrophobicContact CB-SD 3.55Å; A64-M109 VanDerWaalsContact CB-SD 3.55Å; L97-M109 HydrophobicContact CB-CB 4.23Å; L97-M109 PolarHBondContact N-O 3.3Å; G98-M109 PolarHBondContact N-O 2.87Å; G98-M109 WeakPolarHBondContact O-CA 3.49Å; G98-M109 VanDerWaalsContact O-CB 3.3Å; G98-M109 WeakPolarHBondContact O-CB 3.41Å; G98-M109 PolarHBondContact O-N 3.17Å; Y100-M109 HydrophobicContact CD2-CG 3.9Å; Y100-M109 HydrophobicContact CE2-CG 3.68Å; W107-M109 HydrophobicContact CB-SD 4.35Å; W107-M109 HydrophobicContact CE3-SD 4.17Å |
| 110 | I | 93.1 | Very high | 91.1 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 163 | 178.3 | 64.6 | 177.8 | 0 | 0 | 0 | 111 | A62 A63 L85 V94 K95 L96 I108 F112 | A62-I110 CarbonylContact C-O 3.59Å; A62-I110 WeakPolarHBondContact CA-O 3.39Å; A62-I110 WeakPolarHBondContact CB-O 3.35Å; A63-I110 HydrophobicContact CB-CD1 4.46Å; A63-I110 HydrophobicContact CB-CG1 3.91Å; A63-I110 PolarHBondContact N-O 2.89Å; A63-I110 PolarHBondContact O-N 3.21Å; L85-I110 HydrophobicContact CD1-CG2 4.24Å; V94-I110 HydrophobicContact CB-CD1 4.49Å; V94-I110 HydrophobicContact CG2-CD1 4.29Å; K95-I110 CarbonylContact O-C 3.49Å; K95-I110 WeakPolarHBondContact O-CA 3.25Å; L96-I110 HydrophobicContact CD1-CG2 4.42Å; I108-I110 HydrophobicContact CG2-CG2 4.14Å; I110-F112 PolarHBondContact O-N 2.82Å |
| 111 | E | 93.6 | Very high | 90.8 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 132.2 | 179.2 | 73.4 | -174.4 | 141.8 | 0 | 0 | 112.3 | V94 K95 C113 R172 | V94-E111 WeakPolarHBondContact CA-OE1 3.23Å; K95-E111 HydrophobicContact CB-CB 4.46Å; K95-E111 HydrophobicContact CB-CG 4.37Å; K95-E111 PolarHBondContact N-OE1 3.3Å; K95-E111 PolarHBondContact O-N 3.36Å; E111-C113 PolarHBondContact O-N 3.27Å; E111-R172 VanDerWaalsContact OE1-CD 3.22Å; E111-R172 WeakPolarHBondContact OE1-CD 3.47Å; E111-R172 IonicContact OE1-NE 2.6Å; E111-R172 PolarHBondContact OE1-NE 2.73Å; E111-R172 IonicContact OE2-NE 2.63Å; E111-R172 IonicContact OE2-NH2 3.6Å |
| 112 | F | 94 | Very high | 90.7 | Very high | 45 Ų | 45 | 31.6 Ų | 31.6 | 20% | 0.197 | 19% | 0.186 | C | C | . | . | trans | -73.7 | 112.2 | 176.5 | 175.4 | -109.4 | 0 | 0 | 0 | 109.9 | L42 K52 L61 I110 P114 | L42-F112 HydrophobicContact CD1-CD2 4.07Å; L42-F112 HydrophobicContact CD1-CE2 4.02Å; L42-F112 HydrophobicContact CD2-CE2 3.95Å; K52-F112 HydrophobicContact CD-CE2 4.09Å; K52-F112 HydrophobicContact CD-CZ 4.17Å; K52-F112 HydrophobicContact CG-CD2 4.23Å; K52-F112 HydrophobicContact CG-CE2 4.16Å; L61-F112 HydrophobicContact CB-CB 3.77Å; L61-F112 HydrophobicContact CB-CD1 3.87Å; L61-F112 HydrophobicContact CB-CG 4.03Å; L61-F112 HydrophobicContact CD1-CD1 3.85Å; L61-F112 HydrophobicContact CD1-CE1 4.12Å; L61-F112 WeakPolarHBondContact O-CB 3.26Å; I110-F112 PolarHBondContact O-N 2.82Å; F112-P114 HydrophobicContact CD1-CB 4.39Å; F112-P114 HydrophobicContact CE1-CB 3.94Å; F112-P114 WeakPolarHBondContact O-CD 3.27Å | ||
| 113 | C | 94.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | trans | -84.5 | 102.9 | 176.8 | -65.4 | 0 | 0 | 0 | 0 | 110.3 | E111 G115 G116 L164 M165 | E111-C113 PolarHBondContact O-N 3.27Å; C113-G115 VanDerWaalsContact C-N 3.29Å; C113-G115 PolarHBondContact O-N 2.94Å; C113-G116 PolarHBondContact O-N 3.41Å; C113-L164 HydrophobicContact CB-CB 3.63Å; C113-L164 HydrophobicContact CB-CD1 4.07Å; C113-L164 HydrophobicContact CB-CG 4.48Å; C113-M165 CarbonylContact C-O 3.3Å | ||
| 114 | P | 87.6 | Confident | 89.9 | Confident | 39 Ų | 39 | 32.6 Ų | 32.6 | 25% | 0.253 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -19.2 | -167.4 | 29.4 | -38.9 | 0 | 0 | 0 | 114.6 | F112 G116 L167 K311 | F112-P114 HydrophobicContact CD1-CB 4.39Å; F112-P114 HydrophobicContact CE1-CB 3.94Å; F112-P114 WeakPolarHBondContact O-CD 3.27Å; P114-G116 VanDerWaalsContact C-N 3.3Å; P114-L167 HydrophobicContact CB-CD1 4.46Å; P114-L167 HydrophobicContact CB-CG 4.11Å; P114-L167 HydrophobicContact CG-CB 4.36Å; P114-L167 HydrophobicContact CG-CD1 4.3Å; P114-L167 HydrophobicContact CG-CG 3.75Å; P114-K311 VanDerWaalsContact O-CE 3.27Å; P114-K311 WeakPolarHBondContact O-CE 3.26Å; P114-K311 PolarHBondContact O-NZ 3.19Å |
| 115 | G | 87.3 | Confident | 89.6 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 12% | 0.124 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -14.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C113 M165 | C113-G115 VanDerWaalsContact C-N 3.29Å; C113-G115 PolarHBondContact O-N 2.94Å; G115-M165 VanDerWaalsContact CA-O 3.26Å; G115-M165 WeakPolarHBondContact CA-O 3.48Å; G115-M165 PolarHBondContact N-O 3.45Å |
| 116 | G | 90.5 | Very high | 89.2 | Confident | 30 Ų | 30 | 32.8 Ų | 32.8 | 31% | 0.309 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 81 | -166 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C113 P114 L164 M165 | C113-G116 PolarHBondContact O-N 3.41Å; P114-G116 VanDerWaalsContact C-N 3.3Å; G116-L164 CarbonylContact O-C 3.57Å; G116-L164 WeakPolarHBondContact O-CA 3.45Å; G116-M165 WeakPolarHBondContact O-CB 3.29Å; G116-M165 PolarHBondContact O-N 2.91Å |
| 117 | A | 91.2 | Very high | 89 | Confident | 14 Ų | 14 | 35.8 Ų | 35.8 | 12% | 0.116 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 156.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D119 A120 I121 V163 L164 | A117-D119 VanDerWaalsContact C-N 3.32Å; A117-D119 WeakPolarHBondContact CB-OD1 3.42Å; A117-D119 PolarHBondContact O-N 2.85Å; A117-A120 PolarHBondContact O-N 3.39Å; A117-I121 WeakPolarHBondContact O-CG1 3.36Å; A117-I121 PolarHBondContact O-N 2.89Å; A117-V163 WeakPolarHBondContact CA-O 3.37Å; A117-L164 HydrophobicContact CB-CD2 3.71Å |
| 118 | V | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -31.9 | -175.9 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | I121 M122 L129 A160 V163 M165 M230 | V118-I121 PolarHBondContact O-N 3.26Å; V118-M122 WeakPolarHBondContact O-CG 3.46Å; V118-M122 PolarHBondContact O-N 3.24Å; V118-L129 HydrophobicContact CG1-CD1 3.91Å; V118-L129 HydrophobicContact CG1-CD2 3.98Å; V118-A160 HydrophobicContact CB-CB 4.13Å; V118-A160 HydrophobicContact CG1-CB 4.2Å; V118-A160 PolarHBondContact N-O 3.15Å; V118-V163 HydrophobicContact CG2-CB 4.06Å; V118-V163 HydrophobicContact CG2-CG1 3.83Å; V118-V163 PolarHBondContact N-O 3.45Å; V118-M165 HydrophobicContact CG2-CG 3.84Å; V118-M165 HydrophobicContact CG2-SD 3.94Å; V118-M230 HydrophobicContact CB-CE 4.22Å; V118-M230 HydrophobicContact CG1-CE 3.95Å; V118-M230 HydrophobicContact CG1-CG 3.95Å; V118-M230 HydrophobicContact CG1-SD 4.37Å; V118-M230 HydrophobicContact CG2-CE 4.35Å |
| 119 | D | 90.5 | Very high | 89 | Confident | 73 Ų | 73 | 35.7 Ų | 35.7 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.1 | 68.3 | -28.2 | 0 | 0 | 0 | 112.3 | A117 I121 M122 L123 A160 G161 | A117-D119 VanDerWaalsContact C-N 3.32Å; A117-D119 WeakPolarHBondContact CB-OD1 3.42Å; A117-D119 PolarHBondContact O-N 2.85Å; D119-I121 VanDerWaalsContact C-N 3.33Å; D119-I121 PolarHBondContact O-N 2.89Å; D119-M122 PolarHBondContact O-N 2.94Å; D119-L123 WeakPolarHBondContact O-CB 3.5Å; D119-L123 PolarHBondContact O-N 3.02Å; D119-A160 HydrophobicContact CB-CB 4.3Å; D119-G161 VanDerWaalsContact CG-CA 3.47Å; D119-G161 WeakPolarHBondContact OD1-CA 3.46Å |
| 120 | A | 85.8 | Confident | 89.1 | Confident | 49 Ų | 49 | 38.6 Ų | 38.6 | 41% | 0.405 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A117 L123 E124 | A117-A120 PolarHBondContact O-N 3.39Å; A120-L123 PolarHBondContact O-N 3.31Å; A120-E124 WeakPolarHBondContact O-CB 3.22Å; A120-E124 PolarHBondContact O-N 3.5Å |
| 121 | I | 87.4 | Confident | 89.2 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 172.8 | -69.1 | 172.4 | 0 | 0 | 0 | 110.9 | A117 V118 D119 L123 E124 L125 M165 L306 V307 A310 | A117-I121 WeakPolarHBondContact O-CG1 3.36Å; A117-I121 PolarHBondContact O-N 2.89Å; V118-I121 PolarHBondContact O-N 3.26Å; D119-I121 VanDerWaalsContact C-N 3.33Å; D119-I121 PolarHBondContact O-N 2.89Å; I121-L123 VanDerWaalsContact C-N 3.29Å; I121-L123 PolarHBondContact O-N 3.43Å; I121-E124 PolarHBondContact O-N 3.37Å; I121-L125 HydrophobicContact CG2-CD1 3.61Å; I121-L125 HydrophobicContact CG2-CG 4.29Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 WeakPolarHBondContact O-CG 3.22Å; I121-L125 PolarHBondContact O-N 2.94Å; I121-M165 HydrophobicContact CD1-CB 4.19Å; I121-M165 HydrophobicContact CD1-CE 3.55Å; I121-M165 HydrophobicContact CD1-CG 3.84Å; I121-L306 HydrophobicContact CG2-CD1 4.16Å; I121-L306 HydrophobicContact CG2-CD2 3.97Å; I121-L306 HydrophobicContact CG2-CG 3.88Å; I121-V307 HydrophobicContact CD1-CG2 4.4Å; I121-A310 HydrophobicContact CG1-CB 4.49Å; I121-A310 HydrophobicContact CG2-CB 4.25Å |
| 122 | M | 88.7 | Confident | 89.3 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 176.4 | -70.9 | -168.8 | -64.5 | 0 | 0 | 112.4 | V118 D119 D126 R127 L129 A160 E229 I233 | V118-M122 WeakPolarHBondContact O-CG 3.46Å; V118-M122 PolarHBondContact O-N 3.24Å; D119-M122 PolarHBondContact O-N 2.94Å; M122-D126 PolarHBondContact O-N 2.66Å; M122-R127 WeakPolarHBondContact CA-O 3.17Å; M122-R127 PolarHBondContact O-N 2.81Å; M122-L129 HydrophobicContact CG-CD1 3.49Å; M122-L129 VanDerWaalsContact CG-CD1 3.49Å; M122-L129 HydrophobicContact SD-CD1 4Å; M122-A160 HydrophobicContact CE-CB 4.16Å; M122-E229 HydrophobicContact CE-CG 4.38Å; M122-I233 HydrophobicContact CB-CG2 4.48Å; M122-I233 HydrophobicContact SD-CG1 4.46Å |
| 123 | L | 81.7 | Confident | 89.5 | Confident | 105 Ų | 105 | 39 Ų | 39 | 55% | 0.55 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.5 | -42.7 | 177.4 | -177.1 | 63.7 | 0 | 0 | 0 | 112.7 | D119 A120 I121 D126 | D119-L123 WeakPolarHBondContact O-CB 3.5Å; D119-L123 PolarHBondContact O-N 3.02Å; A120-L123 PolarHBondContact O-N 3.31Å; I121-L123 VanDerWaalsContact C-N 3.29Å; I121-L123 PolarHBondContact O-N 3.43Å; L123-D126 PolarHBondContact O-N 3.19Å |
| 124 | E | 80.4 | Confident | 89.6 | Confident | 124 Ų | 124 | 38.5 Ų | 38.5 | 58% | 0.579 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -71.2 | -30.7 | 178.8 | -171.6 | 58.3 | -142.6 | 0 | 0 | 112.5 | A120 I121 | A120-E124 WeakPolarHBondContact O-CB 3.22Å; A120-E124 PolarHBondContact O-N 3.5Å; I121-E124 PolarHBondContact O-N 3.37Å |
| 125 | L | 81.9 | Confident | 90.1 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -87.6 | -10.6 | 177.7 | -61 | 176.7 | 0 | 0 | 0 | 113.7 | I121 R127 L306 E309 A310 | I121-L125 HydrophobicContact CG2-CD1 3.61Å; I121-L125 HydrophobicContact CG2-CG 4.29Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 WeakPolarHBondContact O-CG 3.22Å; I121-L125 PolarHBondContact O-N 2.94Å; L125-R127 HydrophobicContact CB-CG 3.76Å; L125-R127 PolarHBondContact O-N 2.84Å; L125-L306 HydrophobicContact CD1-CD1 3.32Å; L125-L306 HydrophobicContact CD1-CG 4.26Å; L125-E309 HydrophobicContact CD2-CB 4.42Å; L125-E309 HydrophobicContact CD2-CG 3.97Å; L125-A310 HydrophobicContact CD1-CB 4.42Å; L125-A310 HydrophobicContact CD2-CB 4.05Å; L125-A310 HydrophobicContact CG-CB 4.26Å |
| 126 | D | 81.6 | Confident | 90.6 | Very high | 86 Ų | 86 | 37.9 Ų | 37.9 | 46% | 0.46 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 27.8 | -172 | -158.7 | 54.4 | 0 | 0 | 0 | 113.2 | M122 L123 R563 | M122-D126 PolarHBondContact O-N 2.66Å; L123-D126 PolarHBondContact O-N 3.19Å; D126-R563 IonicContact OD1-CZ 2.85Å; D126-R563 IonicContact OD1-NH1 2.63Å; D126-R563 PolarHBondContact OD1-NH1 3.16Å; D126-R563 IonicContact OD2-CZ 3.36Å; D126-R563 IonicContact OD2-NH1 3.92Å; D126-R563 PolarHBondContact OD2-NH1 2.87Å |
| 127 | R | 88.1 | Confident | 91 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 24% | 0.238 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -151.4 | 151.5 | -177.5 | 65.8 | 171.4 | -171.6 | 78.7 | -5.5 | 112.7 | M122 L125 E309 | M122-R127 WeakPolarHBondContact CA-O 3.17Å; M122-R127 PolarHBondContact O-N 2.81Å; L125-R127 HydrophobicContact CB-CG 3.76Å; L125-R127 PolarHBondContact O-N 2.84Å; R127-E309 IonicContact CZ-OE2 3.17Å; R127-E309 IonicContact NE-OE1 3.73Å; R127-E309 IonicContact NE-OE2 3.81Å; R127-E309 IonicContact NH2-OE2 2.67Å; R127-E309 PolarHBondContact NH2-OE2 3.44Å |
| 128 | G | 88.4 | Confident | 91.3 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -68 | 171.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 129 | L | 94.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 154.6 | 178.3 | -85.9 | 59.2 | 0 | 0 | 0 | 111.6 | V118 M122 Q133 I134 V137 M230 L306 | V118-L129 HydrophobicContact CG1-CD1 3.91Å; V118-L129 HydrophobicContact CG1-CD2 3.98Å; M122-L129 HydrophobicContact CG-CD1 3.49Å; M122-L129 VanDerWaalsContact CG-CD1 3.49Å; M122-L129 HydrophobicContact SD-CD1 4Å; L129-Q133 HydrophobicContact CB-CB 3.98Å; L129-Q133 HydrophobicContact CD2-CB 4.06Å; L129-Q133 HydrophobicContact CG-CB 3.99Å; L129-I134 HydrophobicContact CB-CD1 4.27Å; L129-I134 HydrophobicContact CB-CG1 3.65Å; L129-I134 HydrophobicContact CD2-CG1 4.48Å; L129-V137 HydrophobicContact CD2-CG2 4.3Å; L129-M230 HydrophobicContact CD2-CB 4.42Å; L129-M230 HydrophobicContact CD2-CG 4.45Å; L129-M230 HydrophobicContact CD2-SD 4.48Å; L129-M230 PolarHBondContact N-O 2.81Å; L129-L306 HydrophobicContact CD1-CD2 4.1Å; L129-L306 HydrophobicContact CD2-CD2 4.09Å; L129-L306 HydrophobicContact CG-CD2 3.8Å |
| 130 | T | 95.8 | Very high | 91.9 | Very high | 62 Ų | 62 | 35.2 Ų | 35.2 | 38% | 0.38 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -78.2 | 158.3 | 168.2 | 66.3 | 0 | 0 | 0 | 0 | 110.2 | Q133 I134 | T130-Q133 WeakPolarHBondContact O-CA 3.49Å; T130-Q133 WeakPolarHBondContact O-CB 3.15Å; T130-Q133 PolarHBondContact O-N 3.3Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.4Å; T130-Q133 PolarHBondContact OG1-OE1 3.19Å; T130-Q133 VanDerWaalsContact OG1-OE1 3.1Å; T130-I134 WeakPolarHBondContact O-CG1 3.46Å; T130-I134 PolarHBondContact O-N 3.14Å |
| 131 | E | 96.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 16% | 0.164 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -42.4 | -178.4 | -155.7 | 179.5 | 117.8 | 0 | 0 | 113.3 | Q133 I134 Q135 W263 S264 F267 F293 | E131-Q133 VanDerWaalsContact C-N 3.28Å; E131-Q133 PolarHBondContact O-N 3.49Å; E131-I134 WeakPolarHBondContact O-CB 3.29Å; E131-I134 PolarHBondContact O-N 3.09Å; E131-I134 VanDerWaalsContact O-N 3.13Å; E131-Q135 WeakPolarHBondContact O-CG 3.24Å; E131-Q135 PolarHBondContact O-N 3.32Å; E131-W263 HydrophobicContact CB-CE3 4.07Å; E131-W263 HydrophobicContact CB-CZ3 4.12Å; E131-W263 HydrophobicContact CG-CE3 4.13Å; E131-W263 HydrophobicContact CG-CZ3 4.49Å; E131-W263 WeakPolarHBondContact OE2-CA 3.46Å; E131-S264 WeakPolarHBondContact OE1-CB 3.28Å; E131-S264 PolarHBondContact OE1-OG 2.67Å; E131-S264 PolarHBondContact OE2-N 2.85Å; E131-S264 PolarHBondContact OE2-OG 2.9Å; E131-F267 HydrophobicContact CG-CB 4.36Å; E131-F267 HydrophobicContact CG-CD1 3.97Å; E131-F267 HydrophobicContact CG-CG 4.35Å; E131-F293 HydrophobicContact CG-CE2 3.85Å; E131-F293 HydrophobicContact CG-CZ 4.35Å |
| 132 | P | 95.8 | Very high | 92.9 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 42% | 0.422 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.2 | -30.4 | 173 | -26 | 36.7 | 0 | 0 | 0 | 114.8 | V136 A302 | P132-V136 WeakPolarHBondContact O-CG2 3.39Å; P132-V136 PolarHBondContact O-N 3.12Å; P132-A302 HydrophobicContact CB-CB 4.18Å |
| 133 | Q | 97.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 35.2 Ų | 35.2 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71 | -43.6 | 174 | -74.3 | 156.4 | -1.6 | 0 | 0 | 110.6 | L129 T130 E131 Q135 V136 V137 A302 L306 | L129-Q133 HydrophobicContact CB-CB 3.98Å; L129-Q133 HydrophobicContact CD2-CB 4.06Å; L129-Q133 HydrophobicContact CG-CB 3.99Å; T130-Q133 WeakPolarHBondContact O-CA 3.49Å; T130-Q133 WeakPolarHBondContact O-CB 3.15Å; T130-Q133 PolarHBondContact O-N 3.3Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.4Å; T130-Q133 PolarHBondContact OG1-OE1 3.19Å; T130-Q133 VanDerWaalsContact OG1-OE1 3.1Å; E131-Q133 VanDerWaalsContact C-N 3.28Å; E131-Q133 PolarHBondContact O-N 3.49Å; Q133-Q135 VanDerWaalsContact C-N 3.32Å; Q133-Q135 PolarHBondContact O-N 3.5Å; Q133-V136 PolarHBondContact O-N 3.44Å; Q133-V137 WeakPolarHBondContact O-CG2 3.3Å; Q133-V137 PolarHBondContact O-N 2.91Å; Q133-V137 VanDerWaalsContact O-N 3.14Å; Q133-A302 HydrophobicContact CG-CB 4.34Å; Q133-A302 VanDerWaalsContact CG-O 3.24Å; Q133-A302 WeakPolarHBondContact CG-O 3.22Å; Q133-A302 PolarHBondContact NE2-O 3.31Å; Q133-L306 HydrophobicContact CB-CD2 4.49Å; Q133-L306 HydrophobicContact CG-CB 4.29Å; Q133-L306 HydrophobicContact CG-CD2 4.32Å |
| 134 | I | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 174.6 | -61.3 | 174.6 | 0 | 0 | 0 | 110.8 | L129 T130 E131 V137 C138 L227 M230 A231 W263 F267 F293 | L129-I134 HydrophobicContact CB-CD1 4.27Å; L129-I134 HydrophobicContact CB-CG1 3.65Å; L129-I134 HydrophobicContact CD2-CG1 4.48Å; T130-I134 WeakPolarHBondContact O-CG1 3.46Å; T130-I134 PolarHBondContact O-N 3.14Å; E131-I134 WeakPolarHBondContact O-CB 3.29Å; E131-I134 PolarHBondContact O-N 3.09Å; E131-I134 VanDerWaalsContact O-N 3.13Å; I134-V137 PolarHBondContact O-N 2.97Å; I134-C138 WeakPolarHBondContact O-CB 3.38Å; I134-C138 PolarHBondContact O-N 3.08Å; I134-L227 HydrophobicContact CG2-CB 4.43Å; I134-L227 HydrophobicContact CG2-CD2 3.64Å; I134-M230 HydrophobicContact CD1-CB 4.45Å; I134-M230 HydrophobicContact CG1-CB 4.2Å; I134-A231 HydrophobicContact CD1-CB 3.83Å; I134-W263 HydrophobicContact CD1-CH2 4.13Å; I134-W263 HydrophobicContact CD1-CZ3 3.96Å; I134-F267 HydrophobicContact CD1-CE1 4.07Å; I134-F267 HydrophobicContact CD1-CZ 4.11Å; I134-F267 HydrophobicContact CG2-CE2 4.04Å; I134-F267 HydrophobicContact CG2-CZ 3.9Å; I134-F293 HydrophobicContact CG2-CE1 4.47Å; I134-F293 HydrophobicContact CG2-CZ 4.1Å |
| 135 | Q | 97.8 | Very high | 94.8 | Very high | 34 Ų | 34 | 24.3 Ų | 24.3 | 16% | 0.159 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 177.5 | -75.2 | 179.3 | -70.6 | 0 | 0 | 112.9 | E131 Q133 R139 F293 I297 | E131-Q135 WeakPolarHBondContact O-CG 3.24Å; E131-Q135 PolarHBondContact O-N 3.32Å; Q133-Q135 VanDerWaalsContact C-N 3.32Å; Q133-Q135 PolarHBondContact O-N 3.5Å; Q135-R139 VanDerWaalsContact O-CB 3.26Å; Q135-R139 WeakPolarHBondContact O-CB 3.3Å; Q135-R139 PolarHBondContact O-N 2.92Å; Q135-F293 HydrophobicContact CG-CD2 3.79Å; Q135-F293 HydrophobicContact CG-CE1 4.19Å; Q135-F293 HydrophobicContact CG-CE2 3.29Å; Q135-F293 HydrophobicContact CG-CG 4.41Å; Q135-F293 HydrophobicContact CG-CZ 3.52Å; Q135-F293 WeakPolarHBondContact CG-O 3.37Å; Q135-F293 PolarHBondContact NE2-O 3.14Å; Q135-I297 HydrophobicContact CB-CD1 3.81Å; Q135-I297 HydrophobicContact CB-CG1 4.05Å; Q135-I297 HydrophobicContact CG-CD1 4.42Å |
| 136 | V | 97.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 176.3 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | P132 Q133 C138 R139 Q140 I297 S299 N300 L303 | P132-V136 WeakPolarHBondContact O-CG2 3.39Å; P132-V136 PolarHBondContact O-N 3.12Å; Q133-V136 PolarHBondContact O-N 3.44Å; V136-C138 PolarHBondContact O-N 3.09Å; V136-R139 PolarHBondContact O-N 3.14Å; V136-Q140 WeakPolarHBondContact O-CG 3.49Å; V136-Q140 PolarHBondContact O-N 3.45Å; V136-I297 HydrophobicContact CG2-CG2 4.03Å; V136-S299 WeakPolarHBondContact CG2-O 3.43Å; V136-N300 HydrophobicContact CG1-CB 4.14Å; V136-L303 HydrophobicContact CB-CB 4.24Å; V136-L303 HydrophobicContact CB-CD2 4.15Å; V136-L303 HydrophobicContact CG1-CB 3.92Å; V136-L303 HydrophobicContact CG1-CD2 3.58Å; V136-L303 HydrophobicContact CG1-CG 4.38Å |
| 137 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 178.9 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | L129 Q133 I134 R139 Q140 M141 V163 I171 M230 L303 | L129-V137 HydrophobicContact CD2-CG2 4.3Å; Q133-V137 WeakPolarHBondContact O-CG2 3.3Å; Q133-V137 PolarHBondContact O-N 2.91Å; Q133-V137 VanDerWaalsContact O-N 3.14Å; I134-V137 PolarHBondContact O-N 2.97Å; V137-R139 VanDerWaalsContact C-N 3.35Å; V137-R139 PolarHBondContact O-N 2.87Å; V137-Q140 PolarHBondContact O-N 3.07Å; V137-M141 HydrophobicContact CG1-CG 4.1Å; V137-M141 HydrophobicContact CG1-SD 3.79Å; V137-M141 WeakPolarHBondContact O-CB 3.48Å; V137-M141 VanDerWaalsContact O-CG 3.29Å; V137-M141 WeakPolarHBondContact O-CG 3.31Å; V137-M141 PolarHBondContact O-N 3.01Å; V137-V163 HydrophobicContact CG1-CG1 4.11Å; V137-I171 HydrophobicContact CG1-CG2 4.33Å; V137-I171 HydrophobicContact CG2-CG2 4.23Å; V137-M230 HydrophobicContact CB-SD 4.26Å; V137-M230 HydrophobicContact CG1-CE 3.58Å; V137-M230 HydrophobicContact CG1-SD 3.68Å; V137-L303 HydrophobicContact CG2-CD1 3.66Å; V137-L303 HydrophobicContact CG2-CD2 3.56Å; V137-L303 HydrophobicContact CG2-CG 4.31Å |
| 138 | C | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.6 | -47.5 | 177.3 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | I134 V136 Q140 M141 L142 L227 F270 F293 V294 | I134-C138 WeakPolarHBondContact O-CB 3.38Å; I134-C138 PolarHBondContact O-N 3.08Å; V136-C138 PolarHBondContact O-N 3.09Å; C138-Q140 PolarHBondContact O-N 3.24Å; C138-M141 PolarHBondContact O-N 3.42Å; C138-L142 WeakPolarHBondContact O-CB 3.38Å; C138-L142 VanDerWaalsContact O-CG 3.28Å; C138-L142 WeakPolarHBondContact O-CG 3.24Å; C138-L142 PolarHBondContact O-N 2.97Å; C138-L227 HydrophobicContact CB-CD1 4.29Å; C138-L227 HydrophobicContact CB-CD2 3.67Å; C138-F270 WeakPolarHBondContact SG-CZ 3.47Å; C138-F293 HydrophobicContact CB-CE1 4.25Å; C138-V294 HydrophobicContact CB-CG1 3.93Å |
| 139 | R | 97.9 | Very high | 96.2 | Very high | 52 Ų | 52 | 22 Ų | 22 | 20% | 0.196 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 178.4 | 177.3 | 57.5 | -172.7 | -102.6 | -2.7 | 111.9 | Q135 V136 V137 L142 E143 V294 S295 I297 | Q135-R139 VanDerWaalsContact O-CB 3.26Å; Q135-R139 WeakPolarHBondContact O-CB 3.3Å; Q135-R139 PolarHBondContact O-N 2.92Å; V136-R139 PolarHBondContact O-N 3.14Å; V137-R139 VanDerWaalsContact C-N 3.35Å; V137-R139 PolarHBondContact O-N 2.87Å; R139-L142 PolarHBondContact O-N 2.96Å; R139-E143 IonicContact CZ-OE1 2.57Å; R139-E143 VanDerWaalsContact CZ-OE1 3.23Å; R139-E143 IonicContact NE-OE1 3.43Å; R139-E143 PolarHBondContact NE-OE1 3.16Å; R139-E143 IonicContact NH2-OE1 3.27Å; R139-E143 PolarHBondContact NH2-OE1 2.73Å; R139-E143 PolarHBondContact O-N 3.03Å; R139-E143 VanDerWaalsContact O-N 3.15Å; R139-V294 HydrophobicContact CB-CB 4.14Å; R139-V294 HydrophobicContact CB-CG1 4.24Å; R139-V294 PolarHBondContact NH1-O 2.94Å; R139-S295 PolarHBondContact NH1-O 3.26Å; R139-I297 HydrophobicContact CB-CB 4.34Å; R139-I297 HydrophobicContact CB-CG2 4.28Å; R139-I297 HydrophobicContact CG-CB 4.24Å; R139-I297 HydrophobicContact CG-CG2 4.33Å; R139-I297 PolarHBondContact NH1-O 2.66Å |
| 140 | Q | 97.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.4 | -36.1 | -179.3 | -64.4 | -171.2 | -20.8 | 0 | 0 | 112.5 | Y92 V136 V137 C138 E143 A144 D170 I171 | Y92-Q140 HydrophobicContact CD1-CB 4.11Å; Y92-Q140 HydrophobicContact CD1-CG 4.22Å; Y92-Q140 HydrophobicContact CD2-CB 3.78Å; Y92-Q140 HydrophobicContact CD2-CG 4.18Å; Y92-Q140 WeakPolarHBondContact CD2-O 3.36Å; Y92-Q140 HydrophobicContact CE1-CB 4.17Å; Y92-Q140 HydrophobicContact CE1-CG 3.77Å; Y92-Q140 VanDerWaalsContact CE1-NE2 3.26Å; Y92-Q140 HydrophobicContact CE2-CB 3.84Å; Y92-Q140 HydrophobicContact CE2-CG 3.73Å; Y92-Q140 HydrophobicContact CG-CB 3.94Å; Y92-Q140 HydrophobicContact CG-CG 4.43Å; Y92-Q140 PolarHBondContact OH-NE2 3.44Å; V136-Q140 WeakPolarHBondContact O-CG 3.49Å; V136-Q140 PolarHBondContact O-N 3.45Å; V137-Q140 PolarHBondContact O-N 3.07Å; C138-Q140 PolarHBondContact O-N 3.24Å; Q140-E143 PolarHBondContact O-N 3.08Å; Q140-A144 PolarHBondContact O-N 3Å; Q140-D170 PolarHBondContact NE2-OD1 3.5Å; Q140-I171 HydrophobicContact CB-CD1 3.64Å; Q140-I171 HydrophobicContact CB-CG1 3.73Å |
| 141 | M | 98 | Very high | 95.4 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 172.6 | -74.5 | -176.6 | 79.5 | 0 | 0 | 111.6 | V137 C138 E143 A144 L145 L158 V163 I171 L223 T226 M230 | V137-M141 HydrophobicContact CG1-CG 4.1Å; V137-M141 HydrophobicContact CG1-SD 3.79Å; V137-M141 WeakPolarHBondContact O-CB 3.48Å; V137-M141 VanDerWaalsContact O-CG 3.29Å; V137-M141 WeakPolarHBondContact O-CG 3.31Å; V137-M141 PolarHBondContact O-N 3.01Å; C138-M141 PolarHBondContact O-N 3.42Å; M141-E143 PolarHBondContact O-N 3.19Å; M141-A144 PolarHBondContact O-N 2.97Å; M141-L145 WeakPolarHBondContact O-CB 3.37Å; M141-L145 VanDerWaalsContact O-CG 3.3Å; M141-L145 WeakPolarHBondContact O-CG 3.35Å; M141-L145 PolarHBondContact O-N 3.4Å; M141-L158 HydrophobicContact CE-CD2 4.13Å; M141-V163 HydrophobicContact CE-CG2 3.78Å; M141-V163 HydrophobicContact CG-CG2 4.49Å; M141-V163 HydrophobicContact SD-CG2 3.8Å; M141-I171 HydrophobicContact CB-CD1 4.27Å; M141-I171 HydrophobicContact CG-CD1 3.51Å; M141-L223 HydrophobicContact CB-CD1 4.02Å; M141-L223 HydrophobicContact CE-CD1 3.78Å; M141-L223 HydrophobicContact SD-CD1 3.68Å; M141-T226 HydrophobicContact CE-CG2 4.22Å; M141-T226 HydrophobicContact SD-CG2 4.41Å; M141-M230 HydrophobicContact SD-CE 4.38Å |
| 142 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 176.8 | -75.4 | 169.3 | 0 | 0 | 0 | 112.6 | C138 R139 L145 N146 L223 F270 A285 L288 L289 V294 | C138-L142 WeakPolarHBondContact O-CB 3.38Å; C138-L142 VanDerWaalsContact O-CG 3.28Å; C138-L142 WeakPolarHBondContact O-CG 3.24Å; C138-L142 PolarHBondContact O-N 2.97Å; R139-L142 PolarHBondContact O-N 2.96Å; L142-L145 PolarHBondContact O-N 2.77Å; L142-N146 VanDerWaalsContact O-CB 3.24Å; L142-N146 WeakPolarHBondContact O-CB 3.33Å; L142-N146 PolarHBondContact O-N 3.09Å; L142-L223 HydrophobicContact CD2-CD2 3.51Å; L142-L223 HydrophobicContact CG-CD2 3.89Å; L142-F270 HydrophobicContact CD1-CE2 3.99Å; L142-F270 HydrophobicContact CD1-CZ 3.95Å; L142-A285 HydrophobicContact CD2-CB 4.2Å; L142-L288 HydrophobicContact CD1-CB 3.91Å; L142-L288 HydrophobicContact CD2-CB 3.63Å; L142-L288 HydrophobicContact CD2-CD1 4.03Å; L142-L288 HydrophobicContact CG-CB 4.44Å; L142-L289 HydrophobicContact CB-CD2 3.43Å; L142-L289 VanDerWaalsContact CB-CD2 3.43Å; L142-L289 HydrophobicContact CB-CG 3.9Å; L142-L289 HydrophobicContact CD1-CD2 4.2Å; L142-L289 HydrophobicContact CG-CD2 4.48Å; L142-V294 HydrophobicContact CD1-CG1 4.46Å; L142-V294 HydrophobicContact CD1-CG2 3.89Å |
| 143 | E | 97.8 | Very high | 94.2 | Very high | 54 Ų | 54 | 35.2 Ų | 35.2 | 25% | 0.252 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 174.4 | -68.9 | -176.2 | -175 | 0 | 0 | 111.3 | Y92 R139 Q140 M141 F147 L289 | Y92-E143 HydrophobicContact CD2-CB 4.14Å; Y92-E143 HydrophobicContact CE2-CB 4.22Å; Y92-E143 WeakPolarHBondContact CE2-OE2 3.42Å; R139-E143 IonicContact CZ-OE1 2.57Å; R139-E143 VanDerWaalsContact CZ-OE1 3.23Å; R139-E143 IonicContact NE-OE1 3.43Å; R139-E143 PolarHBondContact NE-OE1 3.16Å; R139-E143 IonicContact NH2-OE1 3.27Å; R139-E143 PolarHBondContact NH2-OE1 2.73Å; R139-E143 PolarHBondContact O-N 3.03Å; R139-E143 VanDerWaalsContact O-N 3.15Å; Q140-E143 PolarHBondContact O-N 3.08Å; M141-E143 PolarHBondContact O-N 3.19Å; E143-F147 PolarHBondContact O-N 2.72Å; E143-F147 VanDerWaalsContact O-N 3.1Å; E143-L289 HydrophobicContact CG-CD1 4.1Å; E143-L289 HydrophobicContact CG-CD2 3.67Å |
| 144 | A | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I93 Q140 M141 F147 L148 L173 | I93-A144 HydrophobicContact CG1-CB 4.21Å; Q140-A144 PolarHBondContact O-N 3Å; M141-A144 PolarHBondContact O-N 2.97Å; A144-F147 PolarHBondContact O-N 2.96Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.2Å; A144-L173 HydrophobicContact CB-CD2 4.32Å |
| 145 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.5 | -41.8 | 178.2 | -70.5 | 174.8 | 0 | 0 | 0 | 111.6 | M141 L142 F147 L148 H149 H155 L158 L173 D219 L223 A285 | M141-L145 WeakPolarHBondContact O-CB 3.37Å; M141-L145 VanDerWaalsContact O-CG 3.3Å; M141-L145 WeakPolarHBondContact O-CG 3.35Å; M141-L145 PolarHBondContact O-N 3.4Å; L142-L145 PolarHBondContact O-N 2.77Å; L145-F147 VanDerWaalsContact C-N 3.29Å; L145-F147 PolarHBondContact O-N 2.92Å; L145-L148 HydrophobicContact CD2-CD1 4.38Å; L145-L148 PolarHBondContact O-N 3.1Å; L145-H149 VanDerWaalsContact O-CB 3.26Å; L145-H149 WeakPolarHBondContact O-CB 3.41Å; L145-H149 PolarHBondContact O-CD2 3.25Å; L145-H149 VanDerWaalsContact O-CD2 3.29Å; L145-H149 PolarHBondContact O-N 3.36Å; L145-H155 HydrophobicContact CD2-CB 4.33Å; L145-L158 HydrophobicContact CD1-CD1 3.86Å; L145-L158 HydrophobicContact CD2-CD1 4.02Å; L145-L158 HydrophobicContact CD2-CD2 4.37Å; L145-L173 HydrophobicContact CD2-CD2 4.46Å; L145-D219 HydrophobicContact CD1-CB 4.37Å; L145-D219 HydrophobicContact CD2-CB 3.98Å; L145-L223 HydrophobicContact CD1-CB 4.45Å; L145-L223 HydrophobicContact CD1-CD2 4.29Å; L145-A285 HydrophobicContact CB-CB 4.03Å |
| 146 | N | 95.6 | Very high | 92.4 | Very high | 65 Ų | 65 | 35.8 Ų | 35.8 | 35% | 0.348 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.4 | -42.1 | 174.8 | -172.6 | 39.6 | 0 | 0 | 0 | 111.6 | L142 S150 A285 L289 | L142-N146 VanDerWaalsContact O-CB 3.24Å; L142-N146 WeakPolarHBondContact O-CB 3.33Å; L142-N146 PolarHBondContact O-N 3.09Å; N146-S150 WeakPolarHBondContact O-CB 3.36Å; N146-S150 PolarHBondContact O-N 3.38Å; N146-A285 HydrophobicContact CB-CB 3.97Å; N146-L289 HydrophobicContact CB-CD1 4.4Å |
| 147 | F | 94.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 36 Ų | 36 | 18% | 0.175 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -50.7 | 172.9 | 173.2 | -89.6 | 0 | 0 | 0 | 112.2 | C88 D89 H90 I93 E143 A144 L145 H149 S150 K151 | C88-F147 HydrophobicContact CB-CE1 4.04Å; D89-F147 VanDerWaalsContact O-CZ 3.26Å; D89-F147 WeakPolarHBondContact O-CZ 3.41Å; H90-F147 HydrophobicContact CB-CD1 3.86Å; H90-F147 HydrophobicContact CB-CD2 4.21Å; H90-F147 HydrophobicContact CB-CE1 3.76Å; H90-F147 HydrophobicContact CB-CE2 4.09Å; H90-F147 HydrophobicContact CB-CG 4.08Å; H90-F147 HydrophobicContact CB-CZ 3.85Å; H90-F147 AromaticContact CD2-CD2 3.56Å; H90-F147 AromaticContact CD2-CG 3.63Å; H90-F147 AromaticContact CG-CG 3.86Å; I93-F147 HydrophobicContact CD1-CD1 3.69Å; I93-F147 HydrophobicContact CD1-CE1 3.93Å; E143-F147 PolarHBondContact O-N 2.72Å; E143-F147 VanDerWaalsContact O-N 3.1Å; A144-F147 PolarHBondContact O-N 2.96Å; L145-F147 VanDerWaalsContact C-N 3.29Å; L145-F147 PolarHBondContact O-N 2.92Å; F147-H149 PolarHBondContact O-N 3.06Å; F147-S150 PolarHBondContact O-N 2.97Å; F147-S150 PolarHBondContact O-OG 3.19Å; F147-K151 HydrophobicContact CE1-CD 4.16Å; F147-K151 HydrophobicContact CZ-CD 4.14Å; F147-K151 PolarHBondContact O-N 3Å |
| 148 | L | 90.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 179.4 | -73.3 | 166.4 | 0 | 0 | 0 | 112.1 | I93 A144 L145 S150 K151 R152 I153 L173 F176 | I93-L148 HydrophobicContact CD1-CD1 4.13Å; I93-L148 HydrophobicContact CD1-CD2 3.87Å; I93-L148 HydrophobicContact CD1-CG 3.81Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.2Å; L145-L148 HydrophobicContact CD2-CD1 4.38Å; L145-L148 PolarHBondContact O-N 3.1Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 2.86Å; L148-K151 CarbonylContact O-C 3.59Å; L148-K151 WeakPolarHBondContact O-CA 3.5Å; L148-K151 PolarHBondContact O-N 3.15Å; L148-R152 PolarHBondContact O-N 3.35Å; L148-I153 CarbonylContact C-O 3.4Å; L148-I153 VanDerWaalsContact C-O 3.3Å; L148-I153 HydrophobicContact CB-CB 4.37Å; L148-I153 HydrophobicContact CD2-CB 4.03Å; L148-I153 HydrophobicContact CD2-CD1 4.34Å; L148-I153 HydrophobicContact CD2-CG2 3.86Å; L148-I153 PolarHBondContact O-N 2.79Å; L148-L173 HydrophobicContact CD1-CD2 4.01Å; L148-F176 HydrophobicContact CD1-CE1 3.77Å; L148-F176 HydrophobicContact CD1-CZ 4.14Å; L148-F176 HydrophobicContact CD2-CE1 3.69Å; L148-F176 HydrophobicContact CD2-CZ 4.29Å; L148-F176 HydrophobicContact CG-CE1 4.4Å |
| 149 | H | 89.3 | Confident | 91.3 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 11% | 0.111 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | -179.7 | -62.3 | 179 | 0 | 0 | 0 | 111.1 | L145 F147 K151 R152 I153 Y216 D219 | L145-H149 VanDerWaalsContact O-CB 3.26Å; L145-H149 WeakPolarHBondContact O-CB 3.41Å; L145-H149 PolarHBondContact O-CD2 3.25Å; L145-H149 VanDerWaalsContact O-CD2 3.29Å; L145-H149 PolarHBondContact O-N 3.36Å; F147-H149 PolarHBondContact O-N 3.06Å; H149-K151 PolarHBondContact O-N 3.46Å; H149-R152 PolarHBondContact O-N 2.89Å; H149-I153 PolarHBondContact CD2-O 3.46Å; H149-Y216 HydrophobicContact CB-CD2 4.45Å; H149-Y216 HydrophobicContact CB-CG 4.35Å; H149-Y216 PolarHBondContact CE1-O 2.95Å; H149-Y216 AromaticContact ND1-CD2 3.65Å; H149-D219 IonicContact CD2-OD2 3.2Å; H149-D219 IonicContact CE1-OD2 2.65Å; H149-D219 IonicContact NE2-OD2 2.76Å; H149-D219 PolarHBondContact NE2-OD2 3.42Å |
| 150 | S | 88.1 | Confident | 91.1 | Very high | 90 Ų | 90 | 35.4 Ų | 35.4 | 63% | 0.629 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -61.7 | -30.1 | 172.9 | 81.9 | 0 | 0 | 0 | 0 | 113.3 | N146 F147 L148 R152 | N146-S150 WeakPolarHBondContact O-CB 3.36Å; N146-S150 PolarHBondContact O-N 3.38Å; F147-S150 PolarHBondContact O-N 2.97Å; F147-S150 PolarHBondContact O-OG 3.19Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 2.86Å; S150-R152 VanDerWaalsContact C-N 3.34Å |
| 151 | K | 85.1 | Confident | 90.7 | Very high | 93 Ų | 93 | 35.9 Ų | 35.9 | 40% | 0.404 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 3.4 | 173.4 | -63.6 | -165.2 | -179.2 | -165.2 | 0 | 113.9 | T87 F147 L148 H149 I153 | T87-K151 PolarHBondContact O-NZ 3.44Å; F147-K151 HydrophobicContact CE1-CD 4.16Å; F147-K151 HydrophobicContact CZ-CD 4.14Å; F147-K151 PolarHBondContact O-N 3Å; L148-K151 CarbonylContact O-C 3.59Å; L148-K151 WeakPolarHBondContact O-CA 3.5Å; L148-K151 PolarHBondContact O-N 3.15Å; H149-K151 PolarHBondContact O-N 3.46Å; K151-I153 VanDerWaalsContact C-N 3.27Å; K151-I153 HydrophobicContact CB-CD1 3.96Å; K151-I153 HydrophobicContact CB-CG1 4.11Å; K151-I153 PolarHBondContact O-N 3.34Å |
| 152 | R | 83.3 | Confident | 90.5 | Very high | 238 Ų | 238 | 36.5 Ų | 36.5 | 90% | 0.898 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 28.9 | -173.5 | -50.8 | 179.3 | 179.2 | -179.3 | -1.8 | 114.1 | L148 H149 S150 | L148-R152 PolarHBondContact O-N 3.35Å; H149-R152 PolarHBondContact O-N 2.89Å; S150-R152 VanDerWaalsContact C-N 3.34Å |
| 153 | I | 83.4 | Confident | 90.4 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | trans | -99.5 | 136.5 | 173.8 | -55.1 | 170.4 | 0 | 0 | 0 | 107.7 | I84 C88 L148 H149 K151 | I84-I153 HydrophobicContact CD1-CG2 4.22Å; I84-I153 HydrophobicContact CG1-CG2 4.44Å; I84-I153 HydrophobicContact CG2-CD1 4.38Å; I84-I153 HydrophobicContact CG2-CG2 4.23Å; C88-I153 VanDerWaalsContact SG-CD1 3.53Å; L148-I153 CarbonylContact C-O 3.4Å; L148-I153 VanDerWaalsContact C-O 3.3Å; L148-I153 HydrophobicContact CB-CB 4.37Å; L148-I153 HydrophobicContact CD2-CB 4.03Å; L148-I153 HydrophobicContact CD2-CD1 4.34Å; L148-I153 HydrophobicContact CD2-CG2 3.86Å; L148-I153 PolarHBondContact O-N 2.79Å; H149-I153 PolarHBondContact CD2-O 3.46Å; K151-I153 VanDerWaalsContact C-N 3.27Å; K151-I153 HydrophobicContact CB-CD1 3.96Å; K151-I153 HydrophobicContact CB-CG1 4.11Å; K151-I153 PolarHBondContact O-N 3.34Å | ||
| 154 | I | 83.8 | Confident | 90.2 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | trans | -118.6 | 131.3 | 179.3 | -52.8 | 175.3 | 0 | 0 | 0 | 107.1 | R156 S179 D219 | I154-R156 HydrophobicContact CB-CG 4.14Å; I154-R156 HydrophobicContact CG2-CG 3.72Å; I154-S179 VanDerWaalsContact O-CA 3.24Å; I154-S179 WeakPolarHBondContact O-CA 3.45Å; I154-S179 WeakPolarHBondContact O-CB 3.31Å; I154-S179 PolarHBondContact O-OG 3.06Å; I154-D219 WeakPolarHBondContact CG2-OD2 3.48Å | ||
| 155 | H | 86.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -69.9 | -47.9 | -173.9 | -162.4 | -85.2 | 0 | 0 | 0 | 112.3 | L145 D157 L158 A174 F176 S179 D219 | L145-H155 HydrophobicContact CD2-CB 4.33Å; H155-D157 PolarHBondContact CE1-O 3.2Å; H155-D157 VanDerWaalsContact CE1-O 3.31Å; H155-D157 PolarHBondContact ND1-O 2.9Å; H155-D157 PolarHBondContact O-N 3.18Å; H155-D157 VanDerWaalsContact O-N 3.14Å; H155-L158 HydrophobicContact CB-CD2 3.85Å; H155-L158 HydrophobicContact CB-CG 4.06Å; H155-L158 WeakPolarHBondContact ND1-CD2 3.26Å; H155-A174 PolarHBondContact CE1-O 3.45Å; H155-A174 VanDerWaalsContact CE1-O 3.25Å; H155-A174 PolarHBondContact NE2-O 2.94Å; H155-F176 AromaticContact CD2-CD1 3.91Å; H155-F176 AromaticContact CD2-CE1 3.48Å; H155-F176 VanDerWaalsContact CD2-CE1 3.48Å; H155-F176 WeakPolarHBondContact CD2-CE1 3.22Å; H155-F176 AromaticContact CD2-CZ 3.79Å; H155-F176 AromaticContact NE2-CE1 3.94Å; H155-F176 AromaticContact NE2-CZ 3.91Å; H155-S179 PolarHBondContact O-OG 3.03Å; H155-D219 WeakPolarHBondContact CB-OD1 3.25Å; H155-D219 PolarHBondContact N-OD1 2.94Å; H155-D219 PolarHBondContact N-OD2 2.89Å | ||
| 156 | R | 83.9 | Confident | 90 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | trans | 71 | -17.9 | 176.2 | -54.6 | 173.8 | 169.4 | -151.2 | -20.8 | 117.5 | I154 V178 S179 N182 Y214 D219 | I154-R156 HydrophobicContact CB-CG 4.14Å; I154-R156 HydrophobicContact CG2-CG 3.72Å; R156-V178 HydrophobicContact CB-CB 4.42Å; R156-V178 HydrophobicContact CB-CG1 3.85Å; R156-V178 WeakPolarHBondContact CD-O 3.32Å; R156-S179 PolarHBondContact NE-O 2.87Å; R156-N182 VanDerWaalsContact NH1-CG 3.27Å; R156-N182 PolarHBondContact NH1-OD1 2.86Å; R156-N182 PolarHBondContact NH2-ND2 3.03Å; R156-Y214 HydrophobicContact CG-CE2 4.42Å; R156-Y214 PolarHBondContact NH1-OH 2.95Å; R156-Y214 PolarHBondContact NH2-OH 2.87Å; R156-D219 PolarHBondContact N-OD1 3.39Å | ||
| 157 | D | 86.6 | Confident | 89.7 | Confident | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.053 | 18% | 0.179 | C | C | . | . | trans | -134.2 | 69.9 | 174.4 | -164.8 | 57.3 | 0 | 0 | 0 | 110.7 | H155 K159 N162 V178 T195 | H155-D157 PolarHBondContact CE1-O 3.2Å; H155-D157 VanDerWaalsContact CE1-O 3.31Å; H155-D157 PolarHBondContact ND1-O 2.9Å; H155-D157 PolarHBondContact O-N 3.18Å; H155-D157 VanDerWaalsContact O-N 3.14Å; D157-K159 IonicContact OD1-NZ 3.58Å; D157-K159 WeakPolarHBondContact OD2-CE 3.48Å; D157-K159 IonicContact OD2-NZ 3.6Å; D157-K159 PolarHBondContact OD2-NZ 3.17Å; D157-N162 PolarHBondContact O-ND2 3.33Å; D157-N162 PolarHBondContact OD2-ND2 3.1Å; D157-V178 HydrophobicContact CB-CG2 4.49Å; D157-T195 WeakPolarHBondContact OD1-CB 3.39Å; D157-T195 PolarHBondContact OD1-N 2.71Å; D157-T195 PolarHBondContact OD1-OG1 2.72Å | ||
| 158 | L | 91.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -89.1 | 127.2 | 172.7 | -63.1 | 174.4 | 0 | 0 | 0 | 110.2 | M141 L145 H155 L173 W198 D219 L223 T226 | M141-L158 HydrophobicContact CE-CD2 4.13Å; L145-L158 HydrophobicContact CD1-CD1 3.86Å; L145-L158 HydrophobicContact CD2-CD1 4.02Å; L145-L158 HydrophobicContact CD2-CD2 4.37Å; H155-L158 HydrophobicContact CB-CD2 3.85Å; H155-L158 HydrophobicContact CB-CG 4.06Å; H155-L158 WeakPolarHBondContact ND1-CD2 3.26Å; L158-L173 HydrophobicContact CD2-CD1 3.63Å; L158-L173 HydrophobicContact CD2-CD2 4.05Å; L158-L173 HydrophobicContact CD2-CG 4.42Å; L158-W198 WeakPolarHBondContact O-CB 3.38Å; L158-D219 HydrophobicContact CD1-CB 3.83Å; L158-D219 VanDerWaalsContact CD1-O 3.23Å; L158-D219 WeakPolarHBondContact CD1-O 3.22Å; L158-L223 HydrophobicContact CD1-CB 4.36Å; L158-T226 PolarHBondContact O-OG1 2.92Å | ||
| 159 | K | 93.2 | Very high | 89.5 | Confident | 39 Ų | 39 | 40 Ų | 40 | 17% | 0.17 | 19% | 0.193 | C | C | . | . | trans | -162.6 | 162.4 | 176.6 | 64.5 | -153.8 | -173.4 | -156.3 | 0 | 109.2 | D157 G161 N162 T195 W198 T226 | D157-K159 IonicContact OD1-NZ 3.58Å; D157-K159 WeakPolarHBondContact OD2-CE 3.48Å; D157-K159 IonicContact OD2-NZ 3.6Å; D157-K159 PolarHBondContact OD2-NZ 3.17Å; K159-G161 PolarHBondContact O-N 3.45Å; K159-N162 WeakPolarHBondContact CE-OD1 3.41Å; K159-N162 HydrophobicContact CG-CB 4.21Å; K159-N162 PolarHBondContact O-N 2.99Å; K159-T195 PolarHBondContact NZ-OG1 3.17Å; K159-W198 HydrophobicContact CB-CD2 3.97Å; K159-W198 VanDerWaalsContact CB-CE2 3.49Å; K159-W198 HydrophobicContact CB-CG 4.21Å; K159-W198 HydrophobicContact CB-CZ2 3.85Å; K159-T226 WeakPolarHBondContact CA-OG1 3.35Å | ||
| 160 | A | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -61.8 | -30.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V118 D119 M122 N162 V163 E229 M230 | V118-A160 HydrophobicContact CB-CB 4.13Å; V118-A160 HydrophobicContact CG1-CB 4.2Å; V118-A160 PolarHBondContact N-O 3.15Å; D119-A160 HydrophobicContact CB-CB 4.3Å; M122-A160 HydrophobicContact CE-CB 4.16Å; A160-N162 VanDerWaalsContact C-N 3.25Å; A160-N162 PolarHBondContact O-N 3.32Å; A160-V163 PolarHBondContact O-N 2.96Å; A160-V163 VanDerWaalsContact O-N 3.16Å; A160-E229 HydrophobicContact CB-CG 4.05Å; A160-E229 WeakPolarHBondContact CB-OE1 3.09Å; A160-E229 VanDerWaalsContact N-CD 3.27Å; A160-E229 PolarHBondContact N-OE1 3.22Å; A160-E229 VanDerWaalsContact N-OE1 3.07Å; A160-E229 PolarHBondContact N-OE2 3.32Å; A160-M230 HydrophobicContact CB-CE 4.03Å; A160-M230 HydrophobicContact CB-CG 4.27Å |
| 161 | G | 89.6 | Confident | 90.3 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 19% | 0.186 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -64.6 | -21.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D119 K159 | D119-G161 VanDerWaalsContact CG-CA 3.47Å; D119-G161 WeakPolarHBondContact OD1-CA 3.46Å; K159-G161 PolarHBondContact O-N 3.45Å |
| 162 | N | 92.7 | Very high | 90.8 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -95.8 | 1.9 | 176.4 | -70.2 | 1.1 | 0 | 0 | 0 | 112.5 | D157 K159 A160 A174 | D157-N162 PolarHBondContact O-ND2 3.33Å; D157-N162 PolarHBondContact OD2-ND2 3.1Å; K159-N162 WeakPolarHBondContact CE-OD1 3.41Å; K159-N162 HydrophobicContact CG-CB 4.21Å; K159-N162 PolarHBondContact O-N 2.99Å; A160-N162 VanDerWaalsContact C-N 3.25Å; A160-N162 PolarHBondContact O-N 3.32Å; N162-A174 PolarHBondContact O-N 3.09Å |
| 163 | V | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 100.2 | 173 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | A117 V118 V137 M141 A160 I171 L173 M230 | A117-V163 WeakPolarHBondContact CA-O 3.37Å; V118-V163 HydrophobicContact CG2-CB 4.06Å; V118-V163 HydrophobicContact CG2-CG1 3.83Å; V118-V163 PolarHBondContact N-O 3.45Å; V137-V163 HydrophobicContact CG1-CG1 4.11Å; M141-V163 HydrophobicContact CE-CG2 3.78Å; M141-V163 HydrophobicContact CG-CG2 4.49Å; M141-V163 HydrophobicContact SD-CG2 3.8Å; A160-V163 PolarHBondContact O-N 2.96Å; A160-V163 VanDerWaalsContact O-N 3.16Å; V163-I171 HydrophobicContact CG1-CB 3.94Å; V163-I171 HydrophobicContact CG1-CD1 4.32Å; V163-I171 HydrophobicContact CG1-CG2 3.81Å; V163-L173 HydrophobicContact CG2-CD1 4.48Å; V163-M230 HydrophobicContact CB-CE 4.34Å; V163-M230 HydrophobicContact CG2-CE 4.09Å |
| 164 | L | 95.3 | Very high | 91.6 | Very high | 35 Ų | 35 | 21.6 Ų | 21.6 | 18% | 0.183 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 162.1 | 176.5 | -50.9 | -174.5 | 0 | 0 | 0 | 111.2 | V94 C113 G116 A117 I171 R172 A174 | V94-L164 HydrophobicContact CG1-CD1 3.98Å; C113-L164 HydrophobicContact CB-CB 3.63Å; C113-L164 HydrophobicContact CB-CD1 4.07Å; C113-L164 HydrophobicContact CB-CG 4.48Å; G116-L164 CarbonylContact O-C 3.57Å; G116-L164 WeakPolarHBondContact O-CA 3.45Å; A117-L164 HydrophobicContact CB-CD2 3.71Å; L164-I171 CarbonylContact O-C 3.6Å; L164-I171 WeakPolarHBondContact O-CA 3.34Å; L164-R172 HydrophobicContact CB-CB 4.37Å; L164-R172 WeakPolarHBondContact CB-O 3.45Å; L164-R172 PolarHBondContact N-O 3.26Å; L164-R172 PolarHBondContact O-N 3.19Å; L164-A174 HydrophobicContact CD1-CB 3.85Å; L164-A174 HydrophobicContact CG-CB 3.93Å |
| 165 | M | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141 | -169.3 | -65.2 | -93.8 | -79.4 | 0 | 0 | 112 | C113 G115 G116 V118 I121 I171 L303 L306 V307 | C113-M165 CarbonylContact C-O 3.3Å; G115-M165 VanDerWaalsContact CA-O 3.26Å; G115-M165 WeakPolarHBondContact CA-O 3.48Å; G115-M165 PolarHBondContact N-O 3.45Å; G116-M165 WeakPolarHBondContact O-CB 3.29Å; G116-M165 PolarHBondContact O-N 2.91Å; V118-M165 HydrophobicContact CG2-CG 3.84Å; V118-M165 HydrophobicContact CG2-SD 3.94Å; I121-M165 HydrophobicContact CD1-CB 4.19Å; I121-M165 HydrophobicContact CD1-CE 3.55Å; I121-M165 HydrophobicContact CD1-CG 3.84Å; M165-I171 HydrophobicContact SD-CG2 4.12Å; M165-L303 HydrophobicContact CE-CD1 3.45Å; M165-L303 VanDerWaalsContact CE-CD1 3.45Å; M165-L303 HydrophobicContact CE-CD2 4.4Å; M165-L303 HydrophobicContact CE-CG 3.71Å; M165-L303 HydrophobicContact SD-CD1 3.97Å; M165-L303 HydrophobicContact SD-CD2 3.99Å; M165-L303 HydrophobicContact SD-CG 3.96Å; M165-L306 HydrophobicContact CE-CD2 4.19Å; M165-V307 HydrophobicContact CB-CG2 4.28Å; M165-V307 HydrophobicContact CE-CG2 3.44Å; M165-V307 VanDerWaalsContact CE-CG2 3.44Å |
| 166 | T | 93.3 | Very high | 91 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | trans | -92.3 | 179.1 | 172.3 | 81 | 0 | 0 | 0 | 0 | 112.2 | E168 D170 R172 | T166-E168 VanDerWaalsContact C-N 3.34Å; T166-E168 WeakPolarHBondContact CB-OE2 3.4Å; T166-E168 PolarHBondContact OG1-N 2.68Å; T166-E168 PolarHBondContact OG1-OE2 3.17Å; T166-D170 PolarHBondContact N-O 3.3Å; T166-D170 PolarHBondContact OG1-N 2.91Å; T166-D170 PolarHBondContact OG1-O 2.81Å; T166-R172 HydrophobicContact CG2-CG 4.31Å | ||
| 167 | L | 89.1 | Confident | 89.9 | Confident | 87 Ų | 87 | 20.7 Ų | 20.7 | 46% | 0.455 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -77.8 | -25.5 | 174.2 | -82.8 | 175.5 | 0 | 0 | 0 | 112.1 | P114 G169 V307 K311 | P114-L167 HydrophobicContact CB-CD1 4.46Å; P114-L167 HydrophobicContact CB-CG 4.11Å; P114-L167 HydrophobicContact CG-CB 4.36Å; P114-L167 HydrophobicContact CG-CD1 4.3Å; P114-L167 HydrophobicContact CG-CG 3.75Å; L167-G169 PolarHBondContact O-N 2.9Å; L167-V307 HydrophobicContact CD2-CG1 4.07Å; L167-K311 HydrophobicContact CD2-CD 3.8Å |
| 168 | E | 90.6 | Very high | 88.9 | Confident | 103 Ų | 103 | 21 Ų | 21 | 48% | 0.481 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -78 | -12.4 | -173.9 | -59.7 | 65.9 | -142.7 | 0 | 0 | 112.1 | T166 N300 R304 | T166-E168 VanDerWaalsContact C-N 3.34Å; T166-E168 WeakPolarHBondContact CB-OE2 3.4Å; T166-E168 PolarHBondContact OG1-N 2.68Å; T166-E168 PolarHBondContact OG1-OE2 3.17Å; E168-N300 PolarHBondContact O-ND2 3.2Å; E168-N300 PolarHBondContact O-OD1 3.18Å; E168-R304 PolarHBondContact O-NE 2.94Å |
| 169 | G | 90.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 97.4 | 16.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L167 N300 L303 | L167-G169 PolarHBondContact O-N 2.9Å; G169-N300 WeakPolarHBondContact O-CB 3.38Å; G169-L303 WeakPolarHBondContact O-CD2 3.24Å |
| 170 | D | 95.9 | Very high | 85.4 | Confident | 37 Ų | 37 | 20.6 Ų | 20.6 | 20% | 0.198 | 12% | 0.115 | C | C | . | . | trans | -102.6 | 150.2 | 177.5 | -63.5 | -46.7 | 0 | 0 | 0 | 112.1 | Y92 Q140 T166 N300 | Y92-D170 HydrophobicContact CD1-CB 4.45Å; Y92-D170 HydrophobicContact CE1-CB 4.17Å; Q140-D170 PolarHBondContact NE2-OD1 3.5Å; T166-D170 PolarHBondContact N-O 3.3Å; T166-D170 PolarHBondContact OG1-N 2.91Å; T166-D170 PolarHBondContact OG1-O 2.81Å; D170-N300 VanDerWaalsContact CG-ND2 3.3Å; D170-N300 PolarHBondContact OD1-ND2 3.39Å; D170-N300 PolarHBondContact OD2-ND2 3.36Å | ||
| 171 | I | 97.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 164.6 | 173.4 | 75.9 | 175.7 | 0 | 0 | 0 | 112.5 | Y92 V137 Q140 M141 V163 L164 M165 L303 | Y92-I171 HydrophobicContact CD1-CG1 4.24Å; Y92-I171 HydrophobicContact CG-CG1 4.24Å; V137-I171 HydrophobicContact CG1-CG2 4.33Å; V137-I171 HydrophobicContact CG2-CG2 4.23Å; Q140-I171 HydrophobicContact CB-CD1 3.64Å; Q140-I171 HydrophobicContact CB-CG1 3.73Å; M141-I171 HydrophobicContact CB-CD1 4.27Å; M141-I171 HydrophobicContact CG-CD1 3.51Å; V163-I171 HydrophobicContact CG1-CB 3.94Å; V163-I171 HydrophobicContact CG1-CD1 4.32Å; V163-I171 HydrophobicContact CG1-CG2 3.81Å; L164-I171 CarbonylContact O-C 3.6Å; L164-I171 WeakPolarHBondContact O-CA 3.34Å; M165-I171 HydrophobicContact SD-CG2 4.12Å; I171-L303 HydrophobicContact CG2-CD2 4.05Å |
| 172 | R | 96.6 | Very high | 81.5 | Confident | 38 Ų | 38 | 24.6 Ų | 24.6 | 14% | 0.143 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 118.9 | 158.1 | -62.1 | -65.8 | -171.8 | -81.8 | -4.3 | 109.2 | P91 V94 E111 L164 T166 | P91-R172 WeakPolarHBondContact O-CD 3.37Å; P91-R172 PolarHBondContact O-NE 3.1Å; P91-R172 PolarHBondContact O-NH1 3.27Å; V94-R172 HydrophobicContact CG1-CB 3.59Å; E111-R172 VanDerWaalsContact OE1-CD 3.22Å; E111-R172 WeakPolarHBondContact OE1-CD 3.47Å; E111-R172 IonicContact OE1-NE 2.6Å; E111-R172 PolarHBondContact OE1-NE 2.73Å; E111-R172 IonicContact OE2-NE 2.63Å; E111-R172 IonicContact OE2-NH2 3.6Å; L164-R172 HydrophobicContact CB-CB 4.37Å; L164-R172 WeakPolarHBondContact CB-O 3.45Å; L164-R172 PolarHBondContact N-O 3.26Å; L164-R172 PolarHBondContact O-N 3.19Å; T166-R172 HydrophobicContact CG2-CG 4.31Å |
| 173 | L | 94.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 135.2 | 174.8 | -173.9 | 61.5 | 0 | 0 | 0 | 110.5 | Y92 V94 A144 L145 L148 L158 V163 | Y92-L173 WeakPolarHBondContact O-CB 3.48Å; Y92-L173 PolarHBondContact O-N 2.93Å; V94-L173 WeakPolarHBondContact CG2-O 3.47Å; V94-L173 PolarHBondContact N-O 3.39Å; A144-L173 HydrophobicContact CB-CD2 4.32Å; L145-L173 HydrophobicContact CD2-CD2 4.46Å; L148-L173 HydrophobicContact CD1-CD2 4.01Å; L158-L173 HydrophobicContact CD2-CD1 3.63Å; L158-L173 HydrophobicContact CD2-CD2 4.05Å; L158-L173 HydrophobicContact CD2-CG 4.42Å; V163-L173 HydrophobicContact CG2-CD1 4.48Å |
| 174 | A | 89.6 | Confident | 76.5 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | trans | -138.4 | 168.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V94 H155 N162 L164 | V94-A174 HydrophobicContact CG1-CB 3.76Å; V94-A174 HydrophobicContact CG2-CB 4.11Å; H155-A174 PolarHBondContact CE1-O 3.45Å; H155-A174 VanDerWaalsContact CE1-O 3.25Å; H155-A174 PolarHBondContact NE2-O 2.94Å; N162-A174 PolarHBondContact O-N 3.09Å; L164-A174 HydrophobicContact CD1-CB 3.85Å; L164-A174 HydrophobicContact CG-CB 3.93Å | ||
| 175 | D | 80.9 | Confident | 73.9 | Confident | 32 Ų | 32 | 42.3 Ų | 42.3 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | trans | 63.5 | 72.8 | 179.3 | -157.6 | 18.6 | 0 | 0 | 0 | 115.9 | K65 G177 | K65-D175 IonicContact NZ-OD1 3.41Å; K65-D175 PolarHBondContact NZ-OD1 3.45Å; D175-G177 PolarHBondContact O-N 3.44Å | ||
| 176 | F | 75.4 | Confident | 71.2 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | trans | -84 | 13.5 | 179.3 | -68.2 | -96.9 | 0 | 0 | 0 | 113.9 | E81 I84 L85 I93 L148 H155 V178 S179 | E81-F176 HydrophobicContact CG-CB 4.06Å; I84-F176 HydrophobicContact CG2-CB 4.09Å; I84-F176 HydrophobicContact CG2-CD1 3.61Å; I84-F176 HydrophobicContact CG2-CE1 4.19Å; I84-F176 HydrophobicContact CG2-CG 3.88Å; L85-F176 HydrophobicContact CD2-CD2 3.52Å; L85-F176 HydrophobicContact CD2-CE2 3.82Å; L85-F176 HydrophobicContact CD2-CG 4.37Å; L85-F176 HydrophobicContact CG-CD2 4.27Å; I93-F176 HydrophobicContact CG2-CE2 3.78Å; I93-F176 HydrophobicContact CG2-CZ 3.72Å; L148-F176 HydrophobicContact CD1-CE1 3.77Å; L148-F176 HydrophobicContact CD1-CZ 4.14Å; L148-F176 HydrophobicContact CD2-CE1 3.69Å; L148-F176 HydrophobicContact CD2-CZ 4.29Å; L148-F176 HydrophobicContact CG-CE1 4.4Å; H155-F176 AromaticContact CD2-CD1 3.91Å; H155-F176 AromaticContact CD2-CE1 3.48Å; H155-F176 VanDerWaalsContact CD2-CE1 3.48Å; H155-F176 WeakPolarHBondContact CD2-CE1 3.22Å; H155-F176 AromaticContact CD2-CZ 3.79Å; H155-F176 AromaticContact NE2-CE1 3.94Å; H155-F176 AromaticContact NE2-CZ 3.91Å; F176-V178 PolarHBondContact O-N 3.42Å; F176-S179 WeakPolarHBondContact CA-OG 3.25Å; F176-S179 WeakPolarHBondContact O-CB 3.31Å; F176-S179 PolarHBondContact O-N 3.45Å; F176-S179 PolarHBondContact O-OG 2.93Å | ||
| 177 | G | 62.8 | Low | 68.5 | Low | 5 Ų | 5 | 57.4 Ų | 57.4 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E81 D175 K181 | E81-G177 WeakPolarHBondContact OE2-CA 3.3Å; D175-G177 PolarHBondContact O-N 3.44Å; G177-K181 VanDerWaalsContact O-CE 3.22Å; G177-K181 WeakPolarHBondContact O-CE 3.39Å |
| 178 | V | 63.8 | Low | 66 | Low | 17 Ų | 17 | 62.9 Ų | 62.9 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -20.8 | 177.3 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | F47 R156 D157 F176 A180 I193 | F47-V178 HydrophobicContact CZ-CG2 4.49Å; R156-V178 HydrophobicContact CB-CB 4.42Å; R156-V178 HydrophobicContact CB-CG1 3.85Å; R156-V178 WeakPolarHBondContact CD-O 3.32Å; D157-V178 HydrophobicContact CB-CG2 4.49Å; F176-V178 PolarHBondContact O-N 3.42Å; V178-A180 PolarHBondContact O-N 3.33Å; V178-I193 HydrophobicContact CG1-CG2 3.43Å; V178-I193 VanDerWaalsContact CG1-CG2 3.43Å |
| 179 | S | 61 | Low | 63.6 | Low | 5 Ų | 5 | 62.6 Ų | 62.6 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.6 | -153.4 | -58.2 | 0 | 0 | 0 | 0 | 116.1 | I154 H155 R156 F176 | I154-S179 VanDerWaalsContact O-CA 3.24Å; I154-S179 WeakPolarHBondContact O-CA 3.45Å; I154-S179 WeakPolarHBondContact O-CB 3.31Å; I154-S179 PolarHBondContact O-OG 3.06Å; H155-S179 PolarHBondContact O-OG 3.03Å; R156-S179 PolarHBondContact NE-O 2.87Å; F176-S179 WeakPolarHBondContact CA-OG 3.25Å; F176-S179 WeakPolarHBondContact O-CB 3.31Å; F176-S179 PolarHBondContact O-N 3.45Å; F176-S179 PolarHBondContact O-OG 2.93Å |
| 180 | A | 52.4 | Low | 60.9 | Low | 27 Ų | 27 | 71.3 Ų | 71.3 | 22% | 0.223 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 21.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | V80 I84 V178 N182 L183 | V80-A180 HydrophobicContact CG1-CB 3.59Å; I84-A180 HydrophobicContact CD1-CB 3.79Å; V178-A180 PolarHBondContact O-N 3.33Å; A180-N182 PolarHBondContact O-N 3.02Å; A180-L183 PolarHBondContact O-N 2.77Å |
| 181 | K | 51.2 | Low | 58.5 | Low | 30 Ų | 30 | 73.2 Ų | 73.2 | 13% | 0.13 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 9.1 | 177 | -70.9 | -168.4 | 175.3 | -173.8 | 0 | 115.7 | D77 G177 T185 | D77-K181 VanDerWaalsContact CG-CE 3.42Å; D77-K181 WeakPolarHBondContact O-CE 3.48Å; D77-K181 PolarHBondContact O-NZ 3.27Å; D77-K181 WeakPolarHBondContact OD1-CE 3.31Å; D77-K181 IonicContact OD1-NZ 2.75Å; D77-K181 WeakPolarHBondContact OD2-CE 3.35Å; D77-K181 IonicContact OD2-NZ 2.81Å; D77-K181 PolarHBondContact OD2-NZ 2.97Å; G177-K181 VanDerWaalsContact O-CE 3.22Å; G177-K181 WeakPolarHBondContact O-CE 3.39Å; K181-T185 PolarHBondContact O-OG1 2.89Å |
| 182 | N | 47.4 | Very low | 56.2 | Low | 71 Ų | 71 | 77.3 Ų | 77.3 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -10.2 | 177.3 | -79.9 | 33.6 | 0 | 0 | 0 | 115.4 | R156 A180 K184 | R156-N182 VanDerWaalsContact NH1-CG 3.27Å; R156-N182 PolarHBondContact NH1-OD1 2.86Å; R156-N182 PolarHBondContact NH2-ND2 3.03Å; A180-N182 PolarHBondContact O-N 3.02Å; N182-K184 PolarHBondContact O-N 2.98Å |
| 183 | L | 43 | Very low | 54.3 | Low | 155 Ų | 155 | 77.7 Ų | 77.7 | 81% | 0.812 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -64.1 | -16.9 | -171.2 | -118.9 | 82.6 | 0 | 0 | 0 | 114.8 | A180 | A180-L183 PolarHBondContact O-N 2.77Š|
| 184 | K | 41.6 | Very low | 52.6 | Low | 198 Ų | 198 | 78.8 Ų | 78.8 | 86% | 0.861 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -140.8 | -10.3 | -177.2 | -67.8 | 179.3 | -176.6 | 163 | 0 | 116.1 | N182 | N182-K184 PolarHBondContact O-N 2.98Š|
| 185 | T | 41 | Very low | 51.6 | Low | 67 Ų | 67 | 80.3 Ų | 80.3 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | trans | -132.6 | 73.9 | -164.5 | 33.7 | 0 | 0 | 0 | 0 | 114.7 | K181 Q187 | K181-T185 PolarHBondContact O-OG1 2.89Å; T185-Q187 PolarHBondContact O-N 2.96Å | ||
| 186 | L | 37.2 | Very low | 51.6 | Low | 166 Ų | 166 | 79.6 Ų | 79.6 | 87% | 0.869 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -72.8 | 16.8 | 154.8 | -86.2 | 167.6 | 0 | 0 | 0 | 112.8 | ||
| 187 | Q | 36 | Very low | 52.1 | Low | 159 Ų | 159 | 81.5 Ų | 81.5 | 74% | 0.743 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -132.9 | 128.2 | -173.4 | -63.1 | -170.5 | 4.4 | 0 | 0 | 111.4 | T185 | T185-Q187 PolarHBondContact O-N 2.96Š|
| 188 | K | 36.2 | Very low | 53.5 | Low | 201 Ų | 201 | 82.5 Ų | 82.5 | 87% | 0.874 | 42% | 0.419 | S | S | * | . | trans | 54.3 | 88.7 | 166.5 | -62.7 | -174.3 | 177.5 | -175.8 | 0 | 117 | ||||
| 189 | R | 39.6 | Very low | 54.6 | Low | 98 Ų | 98 | 82.2 Ų | 82.2 | 37% | 0.37 | 42% | 0.416 | S | S | . | . | trans | -134.1 | 135.4 | 142.2 | -72.3 | -171.1 | 169.4 | 99 | 1.4 | 108.6 | D77 S191 | D77-R189 IonicContact OD1-CZ 2.82Å; D77-R189 IonicContact OD1-NH2 3.99Å; D77-R189 PolarHBondContact OD1-NH2 3.15Å; D77-R189 IonicContact OD2-CZ 2.92Å; D77-R189 IonicContact OD2-NH2 2.6Å; D77-R189 PolarHBondContact OD2-NH2 3.12Å; R189-S191 VanDerWaalsContact C-N 3.29Å | ||
| 190 | D | 34.6 | Very low | 55.8 | Low | 183 Ų | 183 | 82 Ų | 82 | 98% | 0.979 | 42% | 0.415 | S | S | * | . | trans | -92.3 | 6.5 | 173.4 | -60.6 | -41.1 | 0 | 0 | 0 | 111.9 | ||||
| 191 | S | 46.3 | Very low | 57.3 | Low | 76 Ų | 76 | 81 Ų | 81 | 53% | 0.531 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -108.3 | 122.1 | 177.5 | 60 | 0 | 0 | 0 | 0 | 110.6 | R189 | R189-S191 VanDerWaalsContact C-N 3.29Š|
| 192 | F | 48.9 | Very low | 58.8 | Low | 87 Ų | 87 | 80.7 Ų | 80.7 | 38% | 0.382 | 41% | 0.405 | S | S | . | . | trans | -58.5 | 148.3 | 174.1 | -165.7 | -100.5 | 0 | 0 | 0 | 112.3 | P196 M199 E207 L246 | F192-P196 HydrophobicContact CD1-CG 4.24Å; F192-P196 HydrophobicContact CE1-CB 4.47Å; F192-P196 HydrophobicContact CE1-CG 3.97Å; F192-M199 HydrophobicContact CE1-CE 3.85Å; F192-M199 HydrophobicContact CE1-SD 3.34Å; F192-M199 WeakPolarHBondContact CE1-SD 3.47Å; F192-M199 HydrophobicContact CZ-CE 3.65Å; F192-M199 HydrophobicContact CZ-SD 3.53Å; F192-M199 VanDerWaalsContact CZ-SD 3.53Å; F192-E207 WeakPolarHBondContact CD2-OE2 3.47Å; F192-E207 HydrophobicContact CE2-CB 4.09Å; F192-E207 WeakPolarHBondContact CE2-OE2 3.44Å; F192-L246 HydrophobicContact CD2-CD1 4.42Å; F192-L246 HydrophobicContact CE1-CD1 3.99Å; F192-L246 HydrophobicContact CE1-CD2 3.86Å; F192-L246 HydrophobicContact CE2-CD1 3.63Å; F192-L246 HydrophobicContact CE2-CD2 4.43Å; F192-L246 HydrophobicContact CZ-CD1 3.38Å; F192-L246 HydrophobicContact CZ-CD2 3.44Å; F192-L246 VanDerWaalsContact CZ-CD2 3.44Å; F192-L246 HydrophobicContact CZ-CG 4.05Å | ||
| 193 | I | 57.2 | Low | 60.2 | Low | 45 Ų | 45 | 77.9 Ų | 77.9 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | trans | -111.4 | 137 | -169.9 | -59.9 | 179.9 | 0 | 0 | 0 | 112.4 | V178 M199 E207 | V178-I193 HydrophobicContact CG1-CG2 3.43Å; V178-I193 VanDerWaalsContact CG1-CG2 3.43Å; I193-M199 WeakPolarHBondContact O-CE 3.36Å; I193-E207 PolarHBondContact N-OE2 2.91Å | ||
| 194 | G | 58.1 | Low | 61.5 | Low | 24 Ų | 24 | 70.8 Ų | 70.8 | 25% | 0.247 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 78.6 | 172 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P196 | G194-P196 WeakPolarHBondContact O-CD 3.46Š|
| 195 | T | 69.5 | Low | 62.7 | Low | 39 Ų | 39 | 66.5 Ų | 66.5 | 24% | 0.239 | 34% | 0.338 | C | S | . | . | trans | -87.8 | 113.6 | -179.4 | -41.2 | 0 | 0 | 0 | 0 | 110.6 | D157 K159 Y197 W198 | D157-T195 WeakPolarHBondContact OD1-CB 3.39Å; D157-T195 PolarHBondContact OD1-N 2.71Å; D157-T195 PolarHBondContact OD1-OG1 2.72Å; K159-T195 PolarHBondContact NZ-OG1 3.17Å; T195-Y197 VanDerWaalsContact C-N 3.32Å; T195-Y197 PolarHBondContact O-N 3.37Å; T195-W198 HydrophobicContact CG2-CE3 3.56Å; T195-W198 HydrophobicContact CG2-CH2 4.37Å; T195-W198 HydrophobicContact CG2-CZ3 3.31Å; T195-W198 PolarHBondContact O-N 3.09Å; T195-W198 VanDerWaalsContact O-N 3.13Å | ||
| 196 | P | 79.6 | Confident | 63.7 | Low | 17 Ų | 17 | 64.2 Ų | 64.2 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -55.6 | -31.7 | -160.3 | -33.3 | 38 | 0 | 0 | 0 | 118 | F192 G194 W198 M199 P242 L246 I249 | F192-P196 HydrophobicContact CD1-CG 4.24Å; F192-P196 HydrophobicContact CE1-CB 4.47Å; F192-P196 HydrophobicContact CE1-CG 3.97Å; G194-P196 WeakPolarHBondContact O-CD 3.46Å; P196-W198 VanDerWaalsContact C-N 3.29Å; P196-W198 PolarHBondContact O-N 3.09Å; P196-M199 PolarHBondContact O-N 2.97Å; P196-P242 HydrophobicContact CG-CB 4.14Å; P196-L246 HydrophobicContact CB-CD2 4.03Å; P196-I249 VanDerWaalsContact O-CD1 3.23Å; P196-I249 WeakPolarHBondContact O-CD1 3.5Å |
| 197 | Y | 87.3 | Confident | 64.7 | Low | 41 Ų | 41 | 59.4 Ų | 59.4 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -71.8 | -23 | -175.4 | -48.2 | -101.4 | 0 | 0 | 0 | 113 | T195 P235 H237 L240 P242 V245 | T195-Y197 VanDerWaalsContact C-N 3.32Å; T195-Y197 PolarHBondContact O-N 3.37Å; Y197-P235 HydrophobicContact CG-CG 4.34Å; Y197-H237 VanDerWaalsContact CE1-O 3.26Å; Y197-H237 WeakPolarHBondContact CE1-O 3.34Å; Y197-L240 WeakPolarHBondContact CE1-O 3.38Å; Y197-L240 PolarHBondContact OH-O 3Å; Y197-P242 WeakPolarHBondContact OH-CD 2.98Å; Y197-V245 HydrophobicContact CD1-CB 4.38Å; Y197-V245 HydrophobicContact CD1-CG1 3.82Å; Y197-V245 HydrophobicContact CD1-CG2 3.67Å; Y197-V245 HydrophobicContact CE1-CB 4.38Å; Y197-V245 HydrophobicContact CE1-CG1 4.32Å; Y197-V245 HydrophobicContact CE1-CG2 3.31Å; Y197-V245 HydrophobicContact CG-CG1 4.18Å |
| 198 | W | 91.3 | Very high | 65.5 | Low | 27 Ų | 27 | 56.4 Ų | 56.4 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -97.9 | -3.4 | -178.9 | -64.9 | -103.7 | 0 | 0 | 0 | 113.3 | L158 K159 T195 P196 S222 I225 E229 P235 | L158-W198 WeakPolarHBondContact O-CB 3.38Å; K159-W198 HydrophobicContact CB-CD2 3.97Å; K159-W198 VanDerWaalsContact CB-CE2 3.49Å; K159-W198 HydrophobicContact CB-CG 4.21Å; K159-W198 HydrophobicContact CB-CZ2 3.85Å; T195-W198 HydrophobicContact CG2-CE3 3.56Å; T195-W198 HydrophobicContact CG2-CH2 4.37Å; T195-W198 HydrophobicContact CG2-CZ3 3.31Å; T195-W198 PolarHBondContact O-N 3.09Å; T195-W198 VanDerWaalsContact O-N 3.13Å; P196-W198 VanDerWaalsContact C-N 3.29Å; P196-W198 PolarHBondContact O-N 3.09Å; W198-S222 WeakPolarHBondContact O-CA 3.36Å; W198-S222 WeakPolarHBondContact O-CB 3.47Å; W198-S222 PolarHBondContact O-OG 2.93Å; W198-I225 HydrophobicContact CB-CG2 4.37Å; W198-I225 HydrophobicContact CG-CB 4.43Å; W198-I225 HydrophobicContact CG-CG2 3.9Å; W198-E229 HydrophobicContact CZ2-CG 4.43Å; W198-E229 WeakPolarHBondContact CZ2-OE1 3.41Å; W198-E229 PolarHBondContact NE1-OE2 3.35Å; W198-P235 HydrophobicContact CH2-CB 4.28Å; W198-P235 HydrophobicContact CH2-CG 3.64Å; W198-P235 HydrophobicContact CZ2-CB 3.9Å; W198-P235 HydrophobicContact CZ2-CG 3.7Å; W198-P235 HydrophobicContact CZ3-CG 4.2Å |
| 199 | M | 87.3 | Confident | 65.7 | Low | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | trans | -71.9 | 140.5 | -175.7 | -64.4 | 178.3 | 86.3 | 0 | 0 | 112.7 | F192 I193 P196 V203 V204 W221 L246 | F192-M199 HydrophobicContact CE1-CE 3.85Å; F192-M199 HydrophobicContact CE1-SD 3.34Å; F192-M199 WeakPolarHBondContact CE1-SD 3.47Å; F192-M199 HydrophobicContact CZ-CE 3.65Å; F192-M199 HydrophobicContact CZ-SD 3.53Å; F192-M199 VanDerWaalsContact CZ-SD 3.53Å; I193-M199 WeakPolarHBondContact O-CE 3.36Å; P196-M199 PolarHBondContact O-N 2.97Å; M199-V203 HydrophobicContact CE-CB 4.21Å; M199-V203 HydrophobicContact CE-CG1 3.54Å; M199-V204 HydrophobicContact CB-CG2 3.87Å; M199-V204 HydrophobicContact SD-CG2 4.37Å; M199-W221 PolarHBondContact O-NE1 2.85Å; M199-L246 HydrophobicContact SD-CD2 3.94Å | ||
| 200 | A | 85.4 | Confident | 65.7 | Low | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | trans | -74.4 | 149.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E202 V203 V204 A218 W221 | A200-E202 VanDerWaalsContact CB-CD 3.44Å; A200-E202 WeakPolarHBondContact CB-OE1 3.36Å; A200-E202 WeakPolarHBondContact CB-OE2 3.22Å; A200-E202 PolarHBondContact O-N 3.03Å; A200-V203 HydrophobicContact CB-CG2 4.16Å; A200-V203 PolarHBondContact O-N 2.86Å; A200-V204 PolarHBondContact O-N 3.09Å; A200-A218 HydrophobicContact CB-CB 4.37Å; A200-W221 VanDerWaalsContact CA-CD1 3.42Å; A200-W221 HydrophobicContact CB-CB 3.66Å; A200-W221 HydrophobicContact CB-CD2 4.27Å; A200-W221 HydrophobicContact CB-CG 3.65Å | ||
| 201 | P | 85.3 | Confident | 66 | Low | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56 | -37.5 | -176.5 | -24.9 | 34.1 | 0 | 0 | 0 | 113.2 | V203 V204 M205 W221 I249 K277 | P201-V203 PolarHBondContact O-N 2.97Å; P201-V204 PolarHBondContact O-N 2.86Å; P201-M205 WeakPolarHBondContact O-CG 3.5Å; P201-M205 PolarHBondContact O-N 2.87Å; P201-W221 HydrophobicContact CG-CE3 4.27Å; P201-W221 HydrophobicContact CG-CH2 3.63Å; P201-W221 HydrophobicContact CG-CZ2 3.92Å; P201-W221 HydrophobicContact CG-CZ3 3.81Å; P201-I249 HydrophobicContact CB-CG2 4.27Å; P201-I249 HydrophobicContact CG-CG2 3.95Å; P201-K277 HydrophobicContact CG-CB 4.25Å; P201-K277 HydrophobicContact CG-CG 4.18Å |
| 202 | E | 81.7 | Confident | 65.9 | Low | 23 Ų | 23 | 57 Ų | 57 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 177.1 | 69.6 | -78.9 | -174.3 | 0 | 0 | 112.5 | A200 M205 C206 P279 R282 | A200-E202 VanDerWaalsContact CB-CD 3.44Å; A200-E202 WeakPolarHBondContact CB-OE1 3.36Å; A200-E202 WeakPolarHBondContact CB-OE2 3.22Å; A200-E202 PolarHBondContact O-N 3.03Å; E202-M205 CarbonylContact O-C 3.49Å; E202-M205 PolarHBondContact O-N 3.2Å; E202-C206 PolarHBondContact O-N 3.11Å; E202-C206 PolarHBondContact O-SG 3.41Å; E202-P279 HydrophobicContact CB-CG 4.33Å; E202-P279 HydrophobicContact CG-CB 4.35Å; E202-P279 HydrophobicContact CG-CG 4.16Å; E202-R282 IonicContact OE1-CZ 2.66Å; E202-R282 IonicContact OE1-NH1 2.75Å; E202-R282 PolarHBondContact OE1-NH1 2.94Å; E202-R282 IonicContact OE1-NH2 2.7Å; E202-R282 PolarHBondContact OE1-NH2 3.02Å; E202-R282 IonicContact OE2-CZ 2.69Å; E202-R282 IonicContact OE2-NH1 3.53Å; E202-R282 IonicContact OE2-NH2 3.23Å; E202-R282 PolarHBondContact OE2-NH2 3.23Å |
| 203 | V | 76.4 | Confident | 66.1 | Low | 13 Ų | 13 | 58.7 Ų | 58.7 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 178.5 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | M199 A200 P201 M205 C206 E207 Y214 A218 | M199-V203 HydrophobicContact CE-CB 4.21Å; M199-V203 HydrophobicContact CE-CG1 3.54Å; A200-V203 HydrophobicContact CB-CG2 4.16Å; A200-V203 PolarHBondContact O-N 2.86Å; P201-V203 PolarHBondContact O-N 2.97Å; V203-M205 VanDerWaalsContact C-N 3.26Å; V203-M205 PolarHBondContact O-N 2.8Å; V203-C206 PolarHBondContact O-N 2.76Å; V203-C206 VanDerWaalsContact O-N 3.14Å; V203-E207 PolarHBondContact O-N 3.03Å; V203-Y214 HydrophobicContact CG1-CD1 4.09Å; V203-Y214 HydrophobicContact CG1-CE1 3.94Å; V203-Y214 HydrophobicContact CG1-CG 4.5Å; V203-Y214 HydrophobicContact CG2-CD1 4.3Å; V203-Y214 HydrophobicContact CG2-CD2 4.13Å; V203-Y214 HydrophobicContact CG2-CG 3.94Å; V203-A218 HydrophobicContact CG2-CB 3.77Å |
| 204 | V | 72 | Confident | 66.5 | Low | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60 | -37.3 | 174 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | M199 A200 P201 T208 L246 I249 | M199-V204 HydrophobicContact CB-CG2 3.87Å; M199-V204 HydrophobicContact SD-CG2 4.37Å; A200-V204 PolarHBondContact O-N 3.09Å; P201-V204 PolarHBondContact O-N 2.86Å; V204-T208 WeakPolarHBondContact O-CG2 3.38Å; V204-T208 PolarHBondContact O-N 2.73Å; V204-T208 PolarHBondContact O-OG1 3.04Å; V204-L246 HydrophobicContact CG1-CB 3.82Å; V204-L246 HydrophobicContact CG1-CD2 4.03Å; V204-L246 HydrophobicContact CG1-CG 4.44Å; V204-L246 HydrophobicContact CG2-CD2 3.82Å; V204-I249 HydrophobicContact CG2-CG2 4.27Å |
| 205 | M | 65.4 | Low | 67 | Low | 108 Ų | 108 | 60.8 Ų | 60.8 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.2 | -36.5 | 174.7 | -68.8 | 177.1 | 70.8 | 0 | 0 | 112.5 | P201 E202 V203 T208 M209 | P201-M205 WeakPolarHBondContact O-CG 3.5Å; P201-M205 PolarHBondContact O-N 2.87Å; E202-M205 CarbonylContact O-C 3.49Å; E202-M205 PolarHBondContact O-N 3.2Å; V203-M205 VanDerWaalsContact C-N 3.26Å; V203-M205 PolarHBondContact O-N 2.8Å; M205-T208 PolarHBondContact O-N 3.36Å; M205-T208 PolarHBondContact O-OG1 3.43Å; M205-M209 WeakPolarHBondContact O-CB 3.41Å; M205-M209 PolarHBondContact O-N 3.11Å |
| 206 | C | 63.8 | Low | 67.5 | Low | 20 Ų | 20 | 62.7 Ų | 62.7 | 14% | 0.135 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 177.4 | -63.9 | 0 | 0 | 0 | 0 | 113 | E202 V203 T208 M209 T212 Y214 | E202-C206 PolarHBondContact O-N 3.11Å; E202-C206 PolarHBondContact O-SG 3.41Å; V203-C206 PolarHBondContact O-N 2.76Å; V203-C206 VanDerWaalsContact O-N 3.14Å; C206-T208 PolarHBondContact O-N 2.96Å; C206-M209 CarbonylContact C-O 3.58Å; C206-M209 WeakPolarHBondContact CA-O 3.38Å; C206-T212 PolarHBondContact SG-O 2.88Å; C206-Y214 HydrophobicContact CB-CD1 4Å |
| 207 | E | 57.7 | Low | 67.9 | Low | 65 Ų | 65 | 62.9 Ų | 62.9 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75.6 | -14.3 | 176.4 | -72.3 | -172.1 | -140.4 | 0 | 0 | 113 | F192 I193 V203 | F192-E207 WeakPolarHBondContact CD2-OE2 3.47Å; F192-E207 HydrophobicContact CE2-CB 4.09Å; F192-E207 WeakPolarHBondContact CE2-OE2 3.44Å; I193-E207 PolarHBondContact N-OE2 2.91Å; V203-E207 PolarHBondContact O-N 3.03Å |
| 208 | T | 52.1 | Low | 68 | Low | 95 Ų | 95 | 61.1 Ų | 61.1 | 58% | 0.583 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -104.7 | -19.9 | 174.9 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | V204 M205 C206 | V204-T208 WeakPolarHBondContact O-CG2 3.38Å; V204-T208 PolarHBondContact O-N 2.73Å; V204-T208 PolarHBondContact O-OG1 3.04Å; M205-T208 PolarHBondContact O-N 3.36Å; M205-T208 PolarHBondContact O-OG1 3.43Å; C206-T208 PolarHBondContact O-N 2.96Å |
| 209 | M | 41.4 | Very low | 68.1 | Low | 133 Ų | 133 | 59.9 Ų | 59.9 | 66% | 0.655 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -140.7 | 121.9 | 178.5 | -58.6 | -171.1 | -177.8 | 0 | 0 | 110.4 | M205 C206 D211 | M205-M209 WeakPolarHBondContact O-CB 3.41Å; M205-M209 PolarHBondContact O-N 3.11Å; C206-M209 CarbonylContact C-O 3.58Å; C206-M209 WeakPolarHBondContact CA-O 3.38Å; M209-D211 PolarHBondContact O-N 3.1Å |
| 210 | K | 39.9 | Very low | 68.5 | Low | 186 Ų | 186 | 59.3 Ų | 59.3 | 81% | 0.809 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.7 | -153.1 | -69.6 | -176.6 | 174.7 | 177.8 | 0 | 117.7 | ||
| 211 | D | 40.3 | Very low | 69 | Low | 158 Ų | 158 | 59.5 Ų | 59.5 | 85% | 0.845 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 19.8 | -159.3 | -60.9 | -58.7 | 0 | 0 | 0 | 115.1 | M209 | M209-D211 PolarHBondContact O-N 3.1Š|
| 212 | T | 44.1 | Very low | 69.5 | Low | 95 Ų | 95 | 59.5 Ų | 59.5 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | trans | -127.7 | 130.1 | 176.1 | -37.8 | 0 | 0 | 0 | 0 | 111.2 | C206 | C206-T212 PolarHBondContact SG-O 2.88Š| ||
| 213 | P | 53.5 | Low | 70.2 | Confident | 121 Ų | 121 | 58.4 Ų | 58.4 | 79% | 0.786 | 31% | 0.305 | S | S | * | . | trans | -81.4 | 133.4 | 166.6 | -6.9 | 24.8 | 0 | 0 | 0 | 110.6 | ||||
| 214 | Y | 63.8 | Low | 71.2 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 12% | 0.122 | 30% | 0.301 | C | S | . | . | trans | -89.3 | 149.2 | 165.7 | 61.2 | -98.7 | 0 | 0 | 0 | 111.2 | R156 V203 C206 A218 | R156-Y214 HydrophobicContact CG-CE2 4.42Å; R156-Y214 PolarHBondContact NH1-OH 2.95Å; R156-Y214 PolarHBondContact NH2-OH 2.87Å; V203-Y214 HydrophobicContact CG1-CD1 4.09Å; V203-Y214 HydrophobicContact CG1-CE1 3.94Å; V203-Y214 HydrophobicContact CG1-CG 4.5Å; V203-Y214 HydrophobicContact CG2-CD1 4.3Å; V203-Y214 HydrophobicContact CG2-CD2 4.13Å; V203-Y214 HydrophobicContact CG2-CG 3.94Å; C206-Y214 HydrophobicContact CB-CD1 4Å; Y214-A218 HydrophobicContact CD2-CB 4.49Å | ||
| 215 | D | 69.2 | Low | 72.4 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | trans | -117.2 | 178.8 | -171.2 | -161.3 | 13.5 | 0 | 0 | 0 | 112.3 | K217 A218 | D215-K217 PolarHBondContact O-N 3.22Å; D215-A218 WeakPolarHBondContact O-CB 3.26Å; D215-A218 PolarHBondContact O-N 2.9Å | ||
| 216 | Y | 80.6 | Confident | 74 | Confident | 79 Ų | 79 | 52.6 Ų | 52.6 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -19.1 | -178.9 | 61.1 | -95 | 0 | 0 | 0 | 114.5 | H149 A218 D219 | H149-Y216 HydrophobicContact CB-CD2 4.45Å; H149-Y216 HydrophobicContact CB-CG 4.35Å; H149-Y216 PolarHBondContact CE1-O 2.95Å; H149-Y216 AromaticContact ND1-CD2 3.65Å; Y216-A218 PolarHBondContact O-N 3.46Å; Y216-D219 PolarHBondContact O-N 3.04Å |
| 217 | K | 88.4 | Confident | 75.6 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.8 | -23.4 | 171.3 | -60.1 | -69.4 | -165.9 | 75.6 | 0 | 113.4 | D215 D219 I220 P279 E280 R282 | D215-K217 PolarHBondContact O-N 3.22Å; K217-D219 VanDerWaalsContact C-N 3.34Å; K217-D219 PolarHBondContact O-N 3.28Å; K217-I220 WeakPolarHBondContact O-CB 3.48Å; K217-I220 PolarHBondContact O-N 2.99Å; K217-P279 HydrophobicContact CB-CB 4.05Å; K217-P279 WeakPolarHBondContact CG-O 3.49Å; K217-P279 PolarHBondContact NZ-O 3.06Å; K217-E280 PolarHBondContact NZ-O 2.93Å; K217-R282 WeakPolarHBondContact CD-O 3.21Å; K217-R282 VanDerWaalsContact CE-O 3.28Å; K217-R282 WeakPolarHBondContact CE-O 3.29Å; K217-R282 PolarHBondContact NZ-O 3.26Å; K217-R282 WeakPolarHBondContact O-CD 3.21Å; K217-R282 PolarHBondContact O-NH1 3.05Å |
| 218 | A | 89.3 | Confident | 77.5 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A200 V203 Y214 D215 Y216 I220 W221 S222 | A200-A218 HydrophobicContact CB-CB 4.37Å; V203-A218 HydrophobicContact CG2-CB 3.77Å; Y214-A218 HydrophobicContact CD2-CB 4.49Å; D215-A218 WeakPolarHBondContact O-CB 3.26Å; D215-A218 PolarHBondContact O-N 2.9Å; Y216-A218 PolarHBondContact O-N 3.46Å; A218-I220 PolarHBondContact O-N 3.46Å; A218-W221 PolarHBondContact O-N 3.39Å; A218-W221 VanDerWaalsContact O-N 3.15Å; A218-S222 PolarHBondContact O-N 2.65Å; A218-S222 VanDerWaalsContact O-N 3.13Å; A218-S222 PolarHBondContact O-OG 3.34Å |
| 219 | D | 91.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -30.7 | 176.9 | -70.9 | -23.5 | 0 | 0 | 0 | 112.1 | L145 H149 I154 H155 R156 L158 Y216 K217 S222 L223 | L145-D219 HydrophobicContact CD1-CB 4.37Å; L145-D219 HydrophobicContact CD2-CB 3.98Å; H149-D219 IonicContact CD2-OD2 3.2Å; H149-D219 IonicContact CE1-OD2 2.65Å; H149-D219 IonicContact NE2-OD2 2.76Å; H149-D219 PolarHBondContact NE2-OD2 3.42Å; I154-D219 WeakPolarHBondContact CG2-OD2 3.48Å; H155-D219 WeakPolarHBondContact CB-OD1 3.25Å; H155-D219 PolarHBondContact N-OD1 2.94Å; H155-D219 PolarHBondContact N-OD2 2.89Å; R156-D219 PolarHBondContact N-OD1 3.39Å; L158-D219 HydrophobicContact CD1-CB 3.83Å; L158-D219 VanDerWaalsContact CD1-O 3.23Å; L158-D219 WeakPolarHBondContact CD1-O 3.22Å; Y216-D219 PolarHBondContact O-N 3.04Å; K217-D219 VanDerWaalsContact C-N 3.34Å; K217-D219 PolarHBondContact O-N 3.28Å; D219-S222 PolarHBondContact O-N 2.8Å; D219-L223 WeakPolarHBondContact O-CB 3.48Å; D219-L223 PolarHBondContact O-N 3.49Å |
| 220 | I | 96.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.1 | -35.8 | -179.9 | -54.4 | -58 | 0 | 0 | 0 | 111.5 | K217 A218 G224 A274 R282 A285 L288 | K217-I220 WeakPolarHBondContact O-CB 3.48Å; K217-I220 PolarHBondContact O-N 2.99Å; A218-I220 PolarHBondContact O-N 3.46Å; I220-G224 PolarHBondContact O-N 3.43Å; I220-G224 VanDerWaalsContact O-N 3.11Å; I220-A274 HydrophobicContact CG2-CB 4.28Å; I220-R282 HydrophobicContact CB-CG 4.43Å; I220-R282 HydrophobicContact CG2-CG 4.06Å; I220-A285 HydrophobicContact CD1-CB 3.94Å; I220-L288 HydrophobicContact CG2-CD1 3.46Å; I220-L288 VanDerWaalsContact CG2-CD1 3.46Å |
| 221 | W | 95.6 | Very high | 84.9 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.8 | -47 | 171.2 | 174.3 | -75.9 | 0 | 0 | 0 | 110.9 | M199 A200 P201 A218 L223 G224 I225 I249 P254 L275 K277 | M199-W221 PolarHBondContact O-NE1 2.85Å; A200-W221 VanDerWaalsContact CA-CD1 3.42Å; A200-W221 HydrophobicContact CB-CB 3.66Å; A200-W221 HydrophobicContact CB-CD2 4.27Å; A200-W221 HydrophobicContact CB-CG 3.65Å; P201-W221 HydrophobicContact CG-CE3 4.27Å; P201-W221 HydrophobicContact CG-CH2 3.63Å; P201-W221 HydrophobicContact CG-CZ2 3.92Å; P201-W221 HydrophobicContact CG-CZ3 3.81Å; A218-W221 PolarHBondContact O-N 3.39Å; A218-W221 VanDerWaalsContact O-N 3.15Å; W221-L223 VanDerWaalsContact C-N 3.27Å; W221-L223 PolarHBondContact O-N 3.18Å; W221-G224 CarbonylContact O-C 3.59Å; W221-G224 WeakPolarHBondContact O-CA 3.45Å; W221-G224 PolarHBondContact O-N 3.5Å; W221-I225 PolarHBondContact O-N 2.96Å; W221-I249 HydrophobicContact CZ2-CG2 4.38Å; W221-P254 HydrophobicContact CH2-CB 4.47Å; W221-L275 HydrophobicContact CD2-CD2 3.67Å; W221-L275 HydrophobicContact CE3-CB 4.2Å; W221-L275 HydrophobicContact CE3-CD2 3.97Å; W221-L275 HydrophobicContact CG-CD2 3.97Å; W221-L275 HydrophobicContact CZ2-CD2 4.34Å; W221-L275 HydrophobicContact CZ3-CB 4.15Å; W221-L275 HydrophobicContact CZ3-CD2 4.43Å; W221-L275 WeakPolarHBondContact CZ3-O 3.06Å; W221-L275 WeakPolarHBondContact O-CD2 3.49Å; W221-K277 HydrophobicContact CH2-CG 4.15Å; W221-K277 HydrophobicContact CZ3-CG 3.94Å |
| 222 | S | 95.3 | Very high | 87.4 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.6 | -33.4 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | W198 A218 D219 I225 T226 | W198-S222 WeakPolarHBondContact O-CA 3.36Å; W198-S222 WeakPolarHBondContact O-CB 3.47Å; W198-S222 PolarHBondContact O-OG 2.93Å; A218-S222 PolarHBondContact O-N 2.65Å; A218-S222 VanDerWaalsContact O-N 3.13Å; A218-S222 PolarHBondContact O-OG 3.34Å; D219-S222 PolarHBondContact O-N 2.8Å; S222-I225 PolarHBondContact O-N 3.15Å; S222-T226 WeakPolarHBondContact O-CB 3.33Å; S222-T226 PolarHBondContact O-N 3.43Å; S222-T226 PolarHBondContact O-OG1 2.96Å |
| 223 | L | 97.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.6 | -50.4 | 165.8 | 172.5 | 64.1 | 0 | 0 | 0 | 111 | M141 L142 L145 L158 D219 W221 I225 T226 L227 F270 | M141-L223 HydrophobicContact CB-CD1 4.02Å; M141-L223 HydrophobicContact CE-CD1 3.78Å; M141-L223 HydrophobicContact SD-CD1 3.68Å; L142-L223 HydrophobicContact CD2-CD2 3.51Å; L142-L223 HydrophobicContact CG-CD2 3.89Å; L145-L223 HydrophobicContact CD1-CB 4.45Å; L145-L223 HydrophobicContact CD1-CD2 4.29Å; L158-L223 HydrophobicContact CD1-CB 4.36Å; D219-L223 WeakPolarHBondContact O-CB 3.48Å; D219-L223 PolarHBondContact O-N 3.49Å; W221-L223 VanDerWaalsContact C-N 3.27Å; W221-L223 PolarHBondContact O-N 3.18Å; L223-I225 VanDerWaalsContact C-N 3.27Å; L223-I225 PolarHBondContact O-N 3.39Å; L223-T226 CarbonylContact O-C 3.6Å; L223-T226 WeakPolarHBondContact O-CA 3.27Å; L223-T226 WeakPolarHBondContact O-CB 3.31Å; L223-T226 PolarHBondContact O-N 2.6Å; L223-L227 HydrophobicContact CD1-CD1 4.14Å; L223-L227 HydrophobicContact CD1-CD2 4.27Å; L223-L227 HydrophobicContact CD1-CG 4.05Å; L223-L227 HydrophobicContact CG-CD1 4.12Å; L223-L227 HydrophobicContact CG-CG 4.44Å; L223-L227 VanDerWaalsContact O-CG 3.31Å; L223-L227 WeakPolarHBondContact O-CG 3.42Å; L223-L227 PolarHBondContact O-N 2.57Å; L223-F270 HydrophobicContact CD2-CZ 4.46Å |
| 224 | G | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.6 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I220 W221 L227 I228 L271 | I220-G224 PolarHBondContact O-N 3.43Å; I220-G224 VanDerWaalsContact O-N 3.11Å; W221-G224 CarbonylContact O-C 3.59Å; W221-G224 WeakPolarHBondContact O-CA 3.45Å; W221-G224 PolarHBondContact O-N 3.5Å; G224-L227 PolarHBondContact O-N 3.02Å; G224-I228 PolarHBondContact O-N 2.96Å; G224-L271 VanDerWaalsContact O-CD2 3.32Å; G224-L271 WeakPolarHBondContact O-CD2 3.29Å |
| 225 | I | 97.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.8 | -44.5 | 173.5 | -58 | -60.3 | 0 | 0 | 0 | 111.6 | W198 W221 S222 L223 L227 I228 E229 P235 P236 P255 L275 | W198-I225 HydrophobicContact CB-CG2 4.37Å; W198-I225 HydrophobicContact CG-CB 4.43Å; W198-I225 HydrophobicContact CG-CG2 3.9Å; W221-I225 PolarHBondContact O-N 2.96Å; S222-I225 PolarHBondContact O-N 3.15Å; L223-I225 VanDerWaalsContact C-N 3.27Å; L223-I225 PolarHBondContact O-N 3.39Å; I225-L227 PolarHBondContact O-N 3.44Å; I225-I228 WeakPolarHBondContact O-CB 3.5Å; I225-I228 PolarHBondContact O-N 2.69Å; I225-E229 PolarHBondContact O-N 3.08Å; I225-P235 HydrophobicContact CG2-CB 4.14Å; I225-P236 HydrophobicContact CD1-CG 4.21Å; I225-P255 HydrophobicContact CD1-CG 3.54Å; I225-L275 HydrophobicContact CD1-CD2 3.71Å; I225-L275 HydrophobicContact CG1-CD2 4Å |
| 226 | T | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.9 | -33.6 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | M141 L158 K159 S222 L223 E229 M230 | M141-T226 HydrophobicContact CE-CG2 4.22Å; M141-T226 HydrophobicContact SD-CG2 4.41Å; L158-T226 PolarHBondContact O-OG1 2.92Å; K159-T226 WeakPolarHBondContact CA-OG1 3.35Å; S222-T226 WeakPolarHBondContact O-CB 3.33Å; S222-T226 PolarHBondContact O-N 3.43Å; S222-T226 PolarHBondContact O-OG1 2.96Å; L223-T226 CarbonylContact O-C 3.6Å; L223-T226 WeakPolarHBondContact O-CA 3.27Å; L223-T226 WeakPolarHBondContact O-CB 3.31Å; L223-T226 PolarHBondContact O-N 2.6Å; T226-E229 WeakPolarHBondContact O-CB 3.28Å; T226-E229 PolarHBondContact O-N 3.17Å; T226-M230 HydrophobicContact CG2-CE 3.5Å; T226-M230 HydrophobicContact CG2-SD 4.3Å; T226-M230 VanDerWaalsContact O-CG 3.27Å; T226-M230 WeakPolarHBondContact O-CG 3.44Å; T226-M230 PolarHBondContact O-N 2.83Å |
| 227 | L | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -75 | -29.7 | 176.3 | -62.1 | 170.4 | 0 | 0 | 0 | 112.6 | I134 C138 L223 G224 I225 M230 A231 F267 F270 L271 | I134-L227 HydrophobicContact CG2-CB 4.43Å; I134-L227 HydrophobicContact CG2-CD2 3.64Å; C138-L227 HydrophobicContact CB-CD1 4.29Å; C138-L227 HydrophobicContact CB-CD2 3.67Å; L223-L227 HydrophobicContact CD1-CD1 4.14Å; L223-L227 HydrophobicContact CD1-CD2 4.27Å; L223-L227 HydrophobicContact CD1-CG 4.05Å; L223-L227 HydrophobicContact CG-CD1 4.12Å; L223-L227 HydrophobicContact CG-CG 4.44Å; L223-L227 VanDerWaalsContact O-CG 3.31Å; L223-L227 WeakPolarHBondContact O-CG 3.42Å; L223-L227 PolarHBondContact O-N 2.57Å; G224-L227 PolarHBondContact O-N 3.02Å; I225-L227 PolarHBondContact O-N 3.44Å; L227-M230 HydrophobicContact CD2-SD 4.42Å; L227-A231 VanDerWaalsContact O-CB 3.3Å; L227-A231 WeakPolarHBondContact O-CB 3.44Å; L227-A231 PolarHBondContact O-N 2.75Å; L227-A231 VanDerWaalsContact O-N 3.12Å; L227-F267 HydrophobicContact CB-CE2 4.08Å; L227-F267 HydrophobicContact CB-CZ 4.36Å; L227-F270 HydrophobicContact CD1-CD1 3.9Å; L227-F270 HydrophobicContact CD1-CE1 3.44Å; L227-F270 VanDerWaalsContact CD1-CE1 3.44Å; L227-F270 HydrophobicContact CD1-CZ 4.38Å; L227-L271 HydrophobicContact CB-CD2 3.86Å; L227-L271 HydrophobicContact CD1-CD2 4.36Å |
| 228 | I | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.6 | -45.7 | 169.3 | -64.7 | 173.4 | 0 | 0 | 0 | 109.9 | G224 I225 M230 A231 Q232 P236 P255 L257 L271 L275 | G224-I228 PolarHBondContact O-N 2.96Å; I225-I228 WeakPolarHBondContact O-CB 3.5Å; I225-I228 PolarHBondContact O-N 2.69Å; I228-M230 PolarHBondContact O-N 2.88Å; I228-A231 CarbonylContact O-C 3.45Å; I228-A231 WeakPolarHBondContact O-CA 3.37Å; I228-A231 WeakPolarHBondContact O-CB 3.5Å; I228-A231 PolarHBondContact O-N 2.87Å; I228-Q232 HydrophobicContact CG2-CG 4.08Å; I228-Q232 WeakPolarHBondContact O-CB 3.21Å; I228-Q232 VanDerWaalsContact O-CG 3.27Å; I228-Q232 WeakPolarHBondContact O-CG 3.37Å; I228-Q232 PolarHBondContact O-N 3.41Å; I228-P236 HydrophobicContact CB-CG 4.44Å; I228-P236 HydrophobicContact CD1-CG 4.19Å; I228-P236 HydrophobicContact CG2-CG 3.93Å; I228-P255 HydrophobicContact CD1-CB 4.32Å; I228-P255 HydrophobicContact CD1-CG 4.31Å; I228-L257 HydrophobicContact CB-CD2 4.38Å; I228-L257 HydrophobicContact CG1-CD2 4.02Å; I228-L257 HydrophobicContact CG2-CD2 4.24Å; I228-L271 HydrophobicContact CG1-CD1 3.94Å; I228-L271 HydrophobicContact CG1-CD2 4.02Å; I228-L275 HydrophobicContact CD1-CD1 3.74Å |
| 229 | E | 96.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -52.7 | -50.8 | 172.4 | 175.1 | -167.8 | -170.3 | 0 | 0 | 111.1 | M122 A160 W198 I225 T226 A231 Q232 I233 | M122-E229 HydrophobicContact CE-CG 4.38Å; A160-E229 HydrophobicContact CB-CG 4.05Å; A160-E229 WeakPolarHBondContact CB-OE1 3.09Å; A160-E229 VanDerWaalsContact N-CD 3.27Å; A160-E229 PolarHBondContact N-OE1 3.22Å; A160-E229 VanDerWaalsContact N-OE1 3.07Å; A160-E229 PolarHBondContact N-OE2 3.32Å; W198-E229 HydrophobicContact CZ2-CG 4.43Å; W198-E229 WeakPolarHBondContact CZ2-OE1 3.41Å; W198-E229 PolarHBondContact NE1-OE2 3.35Å; I225-E229 PolarHBondContact O-N 3.08Å; T226-E229 WeakPolarHBondContact O-CB 3.28Å; T226-E229 PolarHBondContact O-N 3.17Å; E229-A231 VanDerWaalsContact C-N 3.27Å; E229-A231 PolarHBondContact O-N 3.41Å; E229-Q232 CarbonylContact O-C 3.57Å; E229-Q232 PolarHBondContact O-N 2.96Å; E229-Q232 VanDerWaalsContact O-N 3.15Å; E229-I233 CarbonylContact O-C 3.59Å; E229-I233 VanDerWaalsContact O-CA 3.24Å; E229-I233 WeakPolarHBondContact O-CA 3.35Å; E229-I233 PolarHBondContact O-N 3.27Å |
| 230 | M | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -31.2 | 176 | -71.2 | 171.8 | -174.9 | 0 | 0 | 113.9 | V118 L129 I134 V137 M141 A160 V163 T226 L227 I228 | V118-M230 HydrophobicContact CB-CE 4.22Å; V118-M230 HydrophobicContact CG1-CE 3.95Å; V118-M230 HydrophobicContact CG1-CG 3.95Å; V118-M230 HydrophobicContact CG1-SD 4.37Å; V118-M230 HydrophobicContact CG2-CE 4.35Å; L129-M230 HydrophobicContact CD2-CB 4.42Å; L129-M230 HydrophobicContact CD2-CG 4.45Å; L129-M230 HydrophobicContact CD2-SD 4.48Å; L129-M230 PolarHBondContact N-O 2.81Å; I134-M230 HydrophobicContact CD1-CB 4.45Å; I134-M230 HydrophobicContact CG1-CB 4.2Å; V137-M230 HydrophobicContact CB-SD 4.26Å; V137-M230 HydrophobicContact CG1-CE 3.58Å; V137-M230 HydrophobicContact CG1-SD 3.68Å; M141-M230 HydrophobicContact SD-CE 4.38Å; A160-M230 HydrophobicContact CB-CE 4.03Å; A160-M230 HydrophobicContact CB-CG 4.27Å; V163-M230 HydrophobicContact CB-CE 4.34Å; V163-M230 HydrophobicContact CG2-CE 4.09Å; T226-M230 HydrophobicContact CG2-CE 3.5Å; T226-M230 HydrophobicContact CG2-SD 4.3Å; T226-M230 VanDerWaalsContact O-CG 3.27Å; T226-M230 WeakPolarHBondContact O-CG 3.44Å; T226-M230 PolarHBondContact O-N 2.83Å; L227-M230 HydrophobicContact CD2-SD 4.42Å; I228-M230 PolarHBondContact O-N 2.88Å |
| 231 | A | 96 | Very high | 91.6 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -79.3 | -24.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I134 L227 I228 E229 L257 W263 F267 | I134-A231 HydrophobicContact CD1-CB 3.83Å; L227-A231 VanDerWaalsContact O-CB 3.3Å; L227-A231 WeakPolarHBondContact O-CB 3.44Å; L227-A231 PolarHBondContact O-N 2.75Å; L227-A231 VanDerWaalsContact O-N 3.12Å; I228-A231 CarbonylContact O-C 3.45Å; I228-A231 WeakPolarHBondContact O-CA 3.37Å; I228-A231 WeakPolarHBondContact O-CB 3.5Å; I228-A231 PolarHBondContact O-N 2.87Å; E229-A231 VanDerWaalsContact C-N 3.27Å; E229-A231 PolarHBondContact O-N 3.41Å; A231-L257 HydrophobicContact CB-CD2 3.72Å; A231-W263 HydrophobicContact CB-CH2 3.66Å; A231-W263 HydrophobicContact CB-CZ2 3.6Å; A231-W263 HydrophobicContact CB-CZ3 4.43Å; A231-W263 WeakPolarHBondContact O-CZ2 3.3Å; A231-F267 HydrophobicContact CB-CE1 4.14Å; A231-F267 HydrophobicContact CB-CZ 4.23Å |
| 232 | Q | 92.8 | Very high | 90.7 | Very high | 64 Ų | 64 | 36.1 Ų | 36.1 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -131.3 | 4 | -165 | -48.9 | -140.5 | -102.4 | 0 | 0 | 114.5 | I228 E229 E234 L257 L258 | I228-Q232 HydrophobicContact CG2-CG 4.08Å; I228-Q232 WeakPolarHBondContact O-CB 3.21Å; I228-Q232 VanDerWaalsContact O-CG 3.27Å; I228-Q232 WeakPolarHBondContact O-CG 3.37Å; I228-Q232 PolarHBondContact O-N 3.41Å; E229-Q232 CarbonylContact O-C 3.57Å; E229-Q232 PolarHBondContact O-N 2.96Å; E229-Q232 VanDerWaalsContact O-N 3.15Å; Q232-E234 PolarHBondContact O-N 3.49Å; Q232-L257 HydrophobicContact CG-CD2 4.12Å; Q232-L258 VanDerWaalsContact NE2-CB 3.25Å |
| 233 | I | 89.9 | Confident | 89.6 | Confident | 70 Ų | 70 | 41.9 Ų | 41.9 | 36% | 0.359 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 68.7 | -41.5 | -173.3 | -50.9 | 175.5 | 0 | 0 | 0 | 113.8 | M122 E229 | M122-I233 HydrophobicContact CB-CG2 4.48Å; M122-I233 HydrophobicContact SD-CG1 4.46Å; E229-I233 CarbonylContact O-C 3.59Å; E229-I233 VanDerWaalsContact O-CA 3.24Å; E229-I233 WeakPolarHBondContact O-CA 3.35Å; E229-I233 PolarHBondContact O-N 3.27Å |
| 234 | E | 89.8 | Confident | 88.7 | Confident | 99 Ų | 99 | 50.2 Ų | 50.2 | 46% | 0.463 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -113.5 | 150.5 | -178.9 | -66.3 | -79.3 | 177.3 | 0 | 0 | 111.1 | Q232 H238 | Q232-E234 PolarHBondContact O-N 3.49Å; E234-H238 HydrophobicContact CB-CB 4.13Å; E234-H238 IonicContact OE2-CD2 2.98Å; E234-H238 IonicContact OE2-CG 3.33Å |
| 235 | P | 91.8 | Very high | 88.1 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 5% | 0.045 | 24% | 0.243 | C | C | . | . | trans | -70.8 | 163.8 | 173.6 | 33.3 | -38.6 | 0 | 0 | 0 | 112 | Y197 W198 I225 H237 H238 | Y197-P235 HydrophobicContact CG-CG 4.34Å; W198-P235 HydrophobicContact CH2-CB 4.28Å; W198-P235 HydrophobicContact CH2-CG 3.64Å; W198-P235 HydrophobicContact CZ2-CB 3.9Å; W198-P235 HydrophobicContact CZ2-CG 3.7Å; W198-P235 HydrophobicContact CZ3-CG 4.2Å; I225-P235 HydrophobicContact CG2-CB 4.14Å; P235-H237 PolarHBondContact O-N 2.78Å; P235-H238 HydrophobicContact CG-CB 4.03Å; P235-H238 PolarHBondContact O-N 2.76Å | ||
| 236 | P | 90 | Very high | 87.3 | Confident | 24 Ų | 24 | 50.7 Ų | 50.7 | 16% | 0.156 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 133.9 | 169.4 | -23.1 | 34.6 | 0 | 0 | 0 | 111.3 | I225 I228 H238 P255 | I225-P236 HydrophobicContact CD1-CG 4.21Å; I228-P236 HydrophobicContact CB-CG 4.44Å; I228-P236 HydrophobicContact CD1-CG 4.19Å; I228-P236 HydrophobicContact CG2-CG 3.93Å; P236-H238 VanDerWaalsContact C-N 3.28Å; P236-H238 PolarHBondContact O-N 2.65Å; P236-P255 HydrophobicContact CB-CB 3.66Å; P236-P255 HydrophobicContact CB-CG 4.17Å; P236-P255 HydrophobicContact CG-CB 3.58Å; P236-P255 HydrophobicContact CG-CG 3.85Å |
| 237 | H | 87.1 | Confident | 86.4 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 19.3 | 176.6 | -55.7 | -46 | 0 | 0 | 0 | 116.6 | Y197 P235 E239 L240 K248 | Y197-H237 VanDerWaalsContact CE1-O 3.26Å; Y197-H237 WeakPolarHBondContact CE1-O 3.34Å; P235-H237 PolarHBondContact O-N 2.78Å; H237-E239 WeakPolarHBondContact CA-OE1 3.3Å; H237-E239 WeakPolarHBondContact CA-OE2 3.39Å; H237-E239 IonicContact ND1-OE1 2.9Å; H237-E239 PolarHBondContact ND1-OE1 2.86Å; H237-E239 PolarHBondContact O-N 2.82Å; H237-L240 HydrophobicContact CB-CD1 3.98Å; H237-L240 HydrophobicContact CB-CG 4.2Å; H237-L240 WeakPolarHBondContact O-CB 3.38Å; H237-L240 PolarHBondContact O-N 2.61Å; H237-K248 VanDerWaalsContact CD2-CG 3.43Å; H237-K248 WeakPolarHBondContact CD2-CG 3.44Å; H237-K248 VanDerWaalsContact NE2-CE 3.33Å; H237-K248 WeakPolarHBondContact NE2-CE 3.36Å |
| 238 | H | 83.6 | Confident | 85.7 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -29.4 | 172.5 | 74.4 | -71.3 | 0 | 0 | 0 | 113.7 | E234 P235 P236 L240 | E234-H238 HydrophobicContact CB-CB 4.13Å; E234-H238 IonicContact OE2-CD2 2.98Å; E234-H238 IonicContact OE2-CG 3.33Å; P235-H238 HydrophobicContact CG-CB 4.03Å; P235-H238 PolarHBondContact O-N 2.76Å; P236-H238 VanDerWaalsContact C-N 3.28Å; P236-H238 PolarHBondContact O-N 2.65Å; H238-L240 PolarHBondContact O-N 3.12Å |
| 239 | E | 81 | Confident | 85.2 | Confident | 116 Ų | 116 | 60.3 Ų | 60.3 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.7 | 177.3 | 74.9 | -72.3 | 168.2 | 0 | 0 | 114.6 | H237 | H237-E239 WeakPolarHBondContact CA-OE1 3.3Å; H237-E239 WeakPolarHBondContact CA-OE2 3.39Å; H237-E239 IonicContact ND1-OE1 2.9Å; H237-E239 PolarHBondContact ND1-OE1 2.86Å; H237-E239 PolarHBondContact O-N 2.82Å |
| 240 | L | 77.7 | Confident | 84.4 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 25% | 0.251 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -94.6 | 146 | -178.4 | -57.9 | -174.3 | 0 | 0 | 0 | 112.2 | Y197 H237 H238 R244 V245 K248 | Y197-L240 WeakPolarHBondContact CE1-O 3.38Å; Y197-L240 PolarHBondContact OH-O 3Å; H237-L240 HydrophobicContact CB-CD1 3.98Å; H237-L240 HydrophobicContact CB-CG 4.2Å; H237-L240 WeakPolarHBondContact O-CB 3.38Å; H237-L240 PolarHBondContact O-N 2.61Å; H238-L240 PolarHBondContact O-N 3.12Å; L240-R244 HydrophobicContact CB-CB 4.44Å; L240-V245 HydrophobicContact CB-CG2 3.73Å; L240-K248 HydrophobicContact CD1-CB 4.46Å; L240-K248 HydrophobicContact CD1-CG 4.31Å |
| 241 | N | 72.9 | Confident | 83.7 | Confident | 101 Ų | 101 | 69.9 Ų | 69.9 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | trans | -59.5 | 138.9 | 169.4 | 175.4 | -79 | 0 | 0 | 0 | 110.7 | M243 R244 V245 | N241-M243 VanDerWaalsContact C-N 3.29Å; N241-M243 PolarHBondContact O-N 3.1Å; N241-M243 PolarHBondContact OD1-N 3.01Å; N241-R244 WeakPolarHBondContact O-CA 3.41Å; N241-R244 WeakPolarHBondContact O-CB 3.41Å; N241-R244 PolarHBondContact O-N 3.46Å; N241-V245 WeakPolarHBondContact O-CG2 3.36Å; N241-V245 PolarHBondContact O-N 2.69Å; N241-V245 VanDerWaalsContact O-N 3.16Å | ||
| 242 | P | 76.4 | Confident | 83.2 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -37.3 | -49.2 | 178.1 | -39.2 | 39.9 | 0 | 0 | 0 | 116.3 | P196 Y197 R244 V245 L246 | P196-P242 HydrophobicContact CG-CB 4.14Å; Y197-P242 WeakPolarHBondContact OH-CD 2.98Å; P242-R244 VanDerWaalsContact C-N 3.29Å; P242-R244 PolarHBondContact O-N 3.27Å; P242-V245 WeakPolarHBondContact O-CB 3.25Å; P242-V245 PolarHBondContact O-N 3.2Å; P242-V245 VanDerWaalsContact O-N 3.13Å; P242-L246 WeakPolarHBondContact O-CG 3.37Å; P242-L246 PolarHBondContact O-N 3.3Å |
| 243 | M | 72.6 | Confident | 83.1 | Confident | 128 Ų | 128 | 74.6 Ų | 74.6 | 63% | 0.631 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.3 | -27 | -176.2 | -160.9 | 61.4 | 64.3 | 0 | 0 | 112.8 | N241 L246 | N241-M243 VanDerWaalsContact C-N 3.29Å; N241-M243 PolarHBondContact O-N 3.1Å; N241-M243 PolarHBondContact OD1-N 3.01Å; M243-L246 HydrophobicContact SD-CD1 4.09Å |
| 244 | R | 79.9 | Confident | 83.2 | Confident | 175 Ų | 175 | 73.6 Ų | 73.6 | 66% | 0.66 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -77.1 | -32.7 | 172.9 | -67.6 | -175.5 | 174.7 | -178.6 | -1.6 | 111.9 | L240 N241 P242 L247 K248 | L240-R244 HydrophobicContact CB-CB 4.44Å; N241-R244 WeakPolarHBondContact O-CA 3.41Å; N241-R244 WeakPolarHBondContact O-CB 3.41Å; N241-R244 PolarHBondContact O-N 3.46Å; P242-R244 VanDerWaalsContact C-N 3.29Å; P242-R244 PolarHBondContact O-N 3.27Å; R244-L247 PolarHBondContact O-N 3.2Å; R244-K248 WeakPolarHBondContact O-CB 3.43Å; R244-K248 PolarHBondContact O-N 2.99Å |
| 245 | V | 84 | Confident | 83.4 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.4 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | Y197 L240 N241 P242 L247 K248 I249 | Y197-V245 HydrophobicContact CD1-CB 4.38Å; Y197-V245 HydrophobicContact CD1-CG1 3.82Å; Y197-V245 HydrophobicContact CD1-CG2 3.67Å; Y197-V245 HydrophobicContact CE1-CB 4.38Å; Y197-V245 HydrophobicContact CE1-CG1 4.32Å; Y197-V245 HydrophobicContact CE1-CG2 3.31Å; Y197-V245 HydrophobicContact CG-CG1 4.18Å; L240-V245 HydrophobicContact CB-CG2 3.73Å; N241-V245 WeakPolarHBondContact O-CG2 3.36Å; N241-V245 PolarHBondContact O-N 2.69Å; N241-V245 VanDerWaalsContact O-N 3.16Å; P242-V245 WeakPolarHBondContact O-CB 3.25Å; P242-V245 PolarHBondContact O-N 3.2Å; P242-V245 VanDerWaalsContact O-N 3.13Å; V245-L247 PolarHBondContact O-N 2.92Å; V245-K248 CarbonylContact O-C 3.54Å; V245-K248 WeakPolarHBondContact O-CA 3.46Å; V245-K248 WeakPolarHBondContact O-CB 3.26Å; V245-K248 PolarHBondContact O-N 3.33Å; V245-I249 HydrophobicContact CG1-CD1 3.77Å; V245-I249 HydrophobicContact CG1-CG1 4.3Å; V245-I249 WeakPolarHBondContact O-CG1 3.34Å; V245-I249 PolarHBondContact O-N 2.95Å |
| 246 | L | 80.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57 | -48.6 | 176.6 | -60.9 | 178.2 | 0 | 0 | 0 | 112.2 | F192 P196 M199 V204 P242 M243 K248 I249 A250 | F192-L246 HydrophobicContact CD2-CD1 4.42Å; F192-L246 HydrophobicContact CE1-CD1 3.99Å; F192-L246 HydrophobicContact CE1-CD2 3.86Å; F192-L246 HydrophobicContact CE2-CD1 3.63Å; F192-L246 HydrophobicContact CE2-CD2 4.43Å; F192-L246 HydrophobicContact CZ-CD1 3.38Å; F192-L246 HydrophobicContact CZ-CD2 3.44Å; F192-L246 VanDerWaalsContact CZ-CD2 3.44Å; F192-L246 HydrophobicContact CZ-CG 4.05Å; P196-L246 HydrophobicContact CB-CD2 4.03Å; M199-L246 HydrophobicContact SD-CD2 3.94Å; V204-L246 HydrophobicContact CG1-CB 3.82Å; V204-L246 HydrophobicContact CG1-CD2 4.03Å; V204-L246 HydrophobicContact CG1-CG 4.44Å; V204-L246 HydrophobicContact CG2-CD2 3.82Å; P242-L246 WeakPolarHBondContact O-CG 3.37Å; P242-L246 PolarHBondContact O-N 3.3Å; M243-L246 HydrophobicContact SD-CD1 4.09Å; L246-K248 VanDerWaalsContact C-N 3.27Å; L246-K248 PolarHBondContact O-N 2.96Å; L246-I249 PolarHBondContact O-N 3.47Å; L246-A250 WeakPolarHBondContact O-CB 3.43Å; L246-A250 PolarHBondContact O-N 2.94Å |
| 247 | L | 78.3 | Confident | 83.6 | Confident | 102 Ų | 102 | 74.3 Ų | 74.3 | 53% | 0.534 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 175 | -66.1 | 174.1 | 0 | 0 | 0 | 112.2 | R244 V245 K251 | R244-L247 PolarHBondContact O-N 3.2Å; V245-L247 PolarHBondContact O-N 2.92Å; L247-K251 WeakPolarHBondContact O-CB 3.44Å; L247-K251 WeakPolarHBondContact O-CG 3.47Å; L247-K251 PolarHBondContact O-N 2.76Å |
| 248 | K | 83.2 | Confident | 83.8 | Confident | 81 Ų | 81 | 78.7 Ų | 78.7 | 35% | 0.352 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.1 | -45.9 | 178.8 | -171 | 69.4 | -175.1 | 139.3 | 0 | 111.5 | H237 L240 R244 V245 L246 K251 S252 | H237-K248 VanDerWaalsContact CD2-CG 3.43Å; H237-K248 WeakPolarHBondContact CD2-CG 3.44Å; H237-K248 VanDerWaalsContact NE2-CE 3.33Å; H237-K248 WeakPolarHBondContact NE2-CE 3.36Å; L240-K248 HydrophobicContact CD1-CB 4.46Å; L240-K248 HydrophobicContact CD1-CG 4.31Å; R244-K248 WeakPolarHBondContact O-CB 3.43Å; R244-K248 PolarHBondContact O-N 2.99Å; V245-K248 CarbonylContact O-C 3.54Å; V245-K248 WeakPolarHBondContact O-CA 3.46Å; V245-K248 WeakPolarHBondContact O-CB 3.26Å; V245-K248 PolarHBondContact O-N 3.33Å; L246-K248 VanDerWaalsContact C-N 3.27Å; L246-K248 PolarHBondContact O-N 2.96Å; K248-K251 PolarHBondContact O-N 3.37Å; K248-S252 VanDerWaalsContact CD-OG 3.25Å; K248-S252 WeakPolarHBondContact CD-OG 3.28Å; K248-S252 VanDerWaalsContact CE-OG 3.27Å; K248-S252 WeakPolarHBondContact CE-OG 3.48Å; K248-S252 PolarHBondContact NZ-OG 2.6Å; K248-S252 WeakPolarHBondContact O-CB 3.42Å; K248-S252 PolarHBondContact O-N 2.93Å; K248-S252 PolarHBondContact O-OG 2.82Å |
| 249 | I | 86.8 | Confident | 84.1 | Confident | 19 Ų | 19 | 77.8 Ų | 77.8 | 10% | 0.097 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 175.2 | -68.6 | 168.1 | 0 | 0 | 0 | 110.7 | P196 P201 V204 W221 V245 L246 K251 K277 | P196-I249 VanDerWaalsContact O-CD1 3.23Å; P196-I249 WeakPolarHBondContact O-CD1 3.5Å; P201-I249 HydrophobicContact CB-CG2 4.27Å; P201-I249 HydrophobicContact CG-CG2 3.95Å; V204-I249 HydrophobicContact CG2-CG2 4.27Å; W221-I249 HydrophobicContact CZ2-CG2 4.38Å; V245-I249 HydrophobicContact CG1-CD1 3.77Å; V245-I249 HydrophobicContact CG1-CG1 4.3Å; V245-I249 WeakPolarHBondContact O-CG1 3.34Å; V245-I249 PolarHBondContact O-N 2.95Å; L246-I249 PolarHBondContact O-N 3.47Å; I249-K251 PolarHBondContact O-N 3.29Å; I249-K277 PolarHBondContact O-NZ 3.39Å |
| 250 | A | 80.8 | Confident | 84.6 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 31% | 0.306 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L246 K277 | L246-A250 WeakPolarHBondContact O-CB 3.43Å; L246-A250 PolarHBondContact O-N 2.94Å; A250-K277 PolarHBondContact O-NZ 3.37Å |
| 251 | K | 81.8 | Confident | 85.2 | Confident | 175 Ų | 175 | 78.1 Ų | 78.1 | 76% | 0.761 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -96 | -18.1 | -169.2 | -63.7 | -176 | 177 | -175.2 | 0 | 116.5 | L247 K248 I249 | L247-K251 WeakPolarHBondContact O-CB 3.44Å; L247-K251 WeakPolarHBondContact O-CG 3.47Å; L247-K251 PolarHBondContact O-N 2.76Å; K248-K251 PolarHBondContact O-N 3.37Å; I249-K251 PolarHBondContact O-N 3.29Å |
| 252 | S | 86.9 | Confident | 86.1 | Confident | 26 Ų | 26 | 79.9 Ų | 79.9 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -93.6 | 165.7 | -177.3 | -45.1 | 0 | 0 | 0 | 0 | 112.6 | K248 K277 | K248-S252 VanDerWaalsContact CD-OG 3.25Å; K248-S252 WeakPolarHBondContact CD-OG 3.28Å; K248-S252 VanDerWaalsContact CE-OG 3.27Å; K248-S252 WeakPolarHBondContact CE-OG 3.48Å; K248-S252 PolarHBondContact NZ-OG 2.6Å; K248-S252 WeakPolarHBondContact O-CB 3.42Å; K248-S252 PolarHBondContact O-N 2.93Å; K248-S252 PolarHBondContact O-OG 2.82Å; S252-K277 PolarHBondContact O-NZ 2.96Å |
| 253 | D | 89.6 | Confident | 87.1 | Confident | 145 Ų | 145 | 78.3 Ų | 78.3 | 78% | 0.775 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 160.9 | 162.2 | -57.3 | -57 | 0 | 0 | 0 | 111.6 | ||
| 254 | P | 92.8 | Very high | 88.2 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 31% | 0.312 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 141.9 | 174.2 | -28.5 | 37.1 | 0 | 0 | 0 | 113.5 | W221 L275 K277 | W221-P254 HydrophobicContact CH2-CB 4.47Å; P254-L275 HydrophobicContact CB-CB 4.1Å; P254-L275 WeakPolarHBondContact CB-O 3.16Å; P254-L275 WeakPolarHBondContact CG-O 3.32Å; P254-K277 HydrophobicContact CG-CD 4.36Å; P254-K277 HydrophobicContact CG-CG 3.88Å |
| 255 | P | 93.1 | Very high | 89 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 149.2 | 176.4 | 28.2 | -32 | 0 | 0 | 0 | 111.2 | I225 I228 P236 L275 | I225-P255 HydrophobicContact CD1-CG 3.54Å; I228-P255 HydrophobicContact CD1-CB 4.32Å; I228-P255 HydrophobicContact CD1-CG 4.31Å; P236-P255 HydrophobicContact CB-CB 3.66Å; P236-P255 HydrophobicContact CB-CG 4.17Å; P236-P255 HydrophobicContact CG-CB 3.58Å; P236-P255 HydrophobicContact CG-CG 3.85Å; P255-L275 HydrophobicContact CG-CD1 4.17Å |
| 256 | T | 94 | Very high | 89.6 | Confident | 110 Ų | 110 | 74 Ų | 74 | 68% | 0.675 | 41% | 0.406 | S | S | * | . | trans | -134.4 | 159.1 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | L258 | T256-L258 PolarHBondContact O-N 3.28Š| ||
| 257 | L | 92.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 73.4 Ų | 73.4 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | trans | -60.9 | 126.2 | -177.9 | -65.4 | 167.2 | 0 | 0 | 0 | 111.2 | I228 A231 Q232 T259 P260 W263 F267 L271 | I228-L257 HydrophobicContact CB-CD2 4.38Å; I228-L257 HydrophobicContact CG1-CD2 4.02Å; I228-L257 HydrophobicContact CG2-CD2 4.24Å; A231-L257 HydrophobicContact CB-CD2 3.72Å; Q232-L257 HydrophobicContact CG-CD2 4.12Å; L257-T259 PolarHBondContact O-N 2.74Å; L257-P260 WeakPolarHBondContact O-CD 3.35Å; L257-P260 WeakPolarHBondContact O-CG 3.37Å; L257-W263 HydrophobicContact CD1-CB 4.24Å; L257-W263 HydrophobicContact CD1-CD2 4.25Å; L257-W263 HydrophobicContact CD1-CG 3.76Å; L257-F267 HydrophobicContact CD1-CD1 3.95Å; L257-F267 HydrophobicContact CD1-CE1 3.76Å; L257-F267 HydrophobicContact CD1-CZ 4.29Å; L257-F267 HydrophobicContact CD2-CE1 4.5Å; L257-L271 HydrophobicContact CD1-CD1 3.54Å; L257-L271 HydrophobicContact CD2-CD1 3.99Å; L257-L271 HydrophobicContact CG-CD1 3.58Å | ||
| 258 | L | 90.2 | Very high | 91.3 | Very high | 148 Ų | 148 | 72.5 Ų | 72.5 | 78% | 0.775 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -53.6 | -24.8 | -173.7 | -159.2 | 77.7 | 0 | 0 | 0 | 114.9 | Q232 T256 | Q232-L258 VanDerWaalsContact NE2-CB 3.25Å; T256-L258 PolarHBondContact O-N 3.28Å |
| 259 | T | 90.2 | Very high | 92 | Very high | 73 Ų | 73 | 71.4 Ų | 71.4 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -132.1 | 83.8 | 173.5 | -51.6 | 0 | 0 | 0 | 0 | 109.1 | L257 S261 K262 | L257-T259 PolarHBondContact O-N 2.74Å; T259-S261 PolarHBondContact O-N 2.98Å; T259-K262 HydrophobicContact CG2-CB 4.42Å; T259-K262 PolarHBondContact O-N 3.15Å |
| 260 | P | 90.9 | Very high | 92.6 | Very high | 63 Ų | 63 | 70.5 Ų | 70.5 | 41% | 0.409 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -58.6 | -34.7 | -171.1 | -26.1 | 34.5 | 0 | 0 | 0 | 113.3 | L257 K262 W263 R268 | L257-P260 WeakPolarHBondContact O-CD 3.35Å; L257-P260 WeakPolarHBondContact O-CG 3.37Å; P260-K262 PolarHBondContact O-N 3.21Å; P260-W263 PolarHBondContact O-N 2.88Å; P260-R268 PolarHBondContact O-NH1 3.01Å |
| 261 | S | 91.4 | Very high | 93.4 | Very high | 107 Ų | 107 | 69 Ų | 69 | 75% | 0.748 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -68.7 | -10.9 | -177.1 | 50.6 | 0 | 0 | 0 | 0 | 115.7 | T259 W263 | T259-S261 PolarHBondContact O-N 2.98Å; S261-W263 VanDerWaalsContact C-N 3.28Å |
| 262 | K | 92.4 | Very high | 94.1 | Very high | 139 Ų | 139 | 67.4 Ų | 67.4 | 60% | 0.604 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -73.5 | -21.1 | 174.7 | -177.9 | -172 | 170.8 | -150.2 | 0 | 112.6 | T259 P260 | T259-K262 HydrophobicContact CG2-CB 4.42Å; T259-K262 PolarHBondContact O-N 3.15Å; P260-K262 PolarHBondContact O-N 3.21Å |
| 263 | W | 95.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 8% | 0.076 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -115.6 | 167.6 | -164.8 | -53.1 | 98.7 | 0 | 0 | 0 | 112.2 | E131 I134 A231 L257 P260 S261 F267 R268 | E131-W263 HydrophobicContact CB-CE3 4.07Å; E131-W263 HydrophobicContact CB-CZ3 4.12Å; E131-W263 HydrophobicContact CG-CE3 4.13Å; E131-W263 HydrophobicContact CG-CZ3 4.49Å; E131-W263 WeakPolarHBondContact OE2-CA 3.46Å; I134-W263 HydrophobicContact CD1-CH2 4.13Å; I134-W263 HydrophobicContact CD1-CZ3 3.96Å; A231-W263 HydrophobicContact CB-CH2 3.66Å; A231-W263 HydrophobicContact CB-CZ2 3.6Å; A231-W263 HydrophobicContact CB-CZ3 4.43Å; A231-W263 WeakPolarHBondContact O-CZ2 3.3Å; L257-W263 HydrophobicContact CD1-CB 4.24Å; L257-W263 HydrophobicContact CD1-CD2 4.25Å; L257-W263 HydrophobicContact CD1-CG 3.76Å; P260-W263 PolarHBondContact O-N 2.88Å; S261-W263 VanDerWaalsContact C-N 3.28Å; W263-F267 HydrophobicContact CB-CD1 4.04Å; W263-F267 AromaticContact CD2-CD1 3.95Å; W263-F267 HydrophobicContact CD2-CD1 3.95Å; W263-F267 AromaticContact CD2-CE1 3.96Å; W263-F267 HydrophobicContact CD2-CE1 3.96Å; W263-F267 AromaticContact CE3-CD1 3.67Å; W263-F267 HydrophobicContact CE3-CD1 3.67Å; W263-F267 AromaticContact CE3-CE1 3.69Å; W263-F267 HydrophobicContact CE3-CE1 3.69Å; W263-F267 HydrophobicContact CG-CD1 4.13Å; W263-F267 HydrophobicContact CG-CE1 4.46Å; W263-F267 HydrophobicContact CZ3-CD1 4.4Å; W263-F267 HydrophobicContact CZ3-CE1 4.03Å; W263-R268 PolarHBondContact O-NH1 3.42Å |
| 264 | S | 96.9 | Very high | 94.9 | Very high | 28 Ų | 28 | 61.9 Ų | 61.9 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | trans | -67.3 | 171.9 | 176.9 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | E131 E266 F267 R268 | E131-S264 WeakPolarHBondContact OE1-CB 3.28Å; E131-S264 PolarHBondContact OE1-OG 2.67Å; E131-S264 PolarHBondContact OE2-N 2.85Å; E131-S264 PolarHBondContact OE2-OG 2.9Å; S264-E266 VanDerWaalsContact C-N 3.33Å; S264-E266 WeakPolarHBondContact CB-OE2 3.41Å; S264-F267 WeakPolarHBondContact OG-CB 3.26Å; S264-F267 PolarHBondContact OG-N 3.5Å; S264-R268 WeakPolarHBondContact O-CG 3.44Å; S264-R268 PolarHBondContact O-NH1 3Å; S264-R268 VanDerWaalsContact O-NH1 3.16Å; S264-R268 PolarHBondContact O-NH2 3.49Å | ||
| 265 | V | 96.2 | Very high | 95.1 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -71.6 | -39.6 | 171.1 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | R268 D269 | V265-R268 PolarHBondContact O-N 2.66Å; V265-D269 PolarHBondContact O-N 2.87Å |
| 266 | E | 97.1 | Very high | 95.1 | Very high | 94 Ų | 94 | 60.6 Ų | 60.6 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | -175.8 | -63.6 | 70.6 | -164.1 | 0 | 0 | 111.5 | S264 F270 H291 P292 F293 | S264-E266 VanDerWaalsContact C-N 3.33Å; S264-E266 WeakPolarHBondContact CB-OE2 3.41Å; E266-F270 WeakPolarHBondContact O-CB 3.4Å; E266-F270 PolarHBondContact O-N 2.94Å; E266-H291 PolarHBondContact O-CE1 3.14Å; E266-P292 HydrophobicContact CG-CB 4.39Å; E266-F293 HydrophobicContact CB-CB 4.32Å; E266-F293 HydrophobicContact CB-CD2 4.41Å |
| 267 | F | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68 | -42 | 175.5 | -173.2 | -158.4 | 0 | 0 | 0 | 111.8 | E131 I134 L227 A231 L257 W263 S264 F270 L271 F293 | E131-F267 HydrophobicContact CG-CB 4.36Å; E131-F267 HydrophobicContact CG-CD1 3.97Å; E131-F267 HydrophobicContact CG-CG 4.35Å; I134-F267 HydrophobicContact CD1-CE1 4.07Å; I134-F267 HydrophobicContact CD1-CZ 4.11Å; I134-F267 HydrophobicContact CG2-CE2 4.04Å; I134-F267 HydrophobicContact CG2-CZ 3.9Å; L227-F267 HydrophobicContact CB-CE2 4.08Å; L227-F267 HydrophobicContact CB-CZ 4.36Å; A231-F267 HydrophobicContact CB-CE1 4.14Å; A231-F267 HydrophobicContact CB-CZ 4.23Å; L257-F267 HydrophobicContact CD1-CD1 3.95Å; L257-F267 HydrophobicContact CD1-CE1 3.76Å; L257-F267 HydrophobicContact CD1-CZ 4.29Å; L257-F267 HydrophobicContact CD2-CE1 4.5Å; W263-F267 HydrophobicContact CB-CD1 4.04Å; W263-F267 AromaticContact CD2-CD1 3.95Å; W263-F267 HydrophobicContact CD2-CD1 3.95Å; W263-F267 AromaticContact CD2-CE1 3.96Å; W263-F267 HydrophobicContact CD2-CE1 3.96Å; W263-F267 AromaticContact CE3-CD1 3.67Å; W263-F267 HydrophobicContact CE3-CD1 3.67Å; W263-F267 AromaticContact CE3-CE1 3.69Å; W263-F267 HydrophobicContact CE3-CE1 3.69Å; W263-F267 HydrophobicContact CG-CD1 4.13Å; W263-F267 HydrophobicContact CG-CE1 4.46Å; W263-F267 HydrophobicContact CZ3-CD1 4.4Å; W263-F267 HydrophobicContact CZ3-CE1 4.03Å; S264-F267 WeakPolarHBondContact OG-CB 3.26Å; S264-F267 PolarHBondContact OG-N 3.5Å; F267-F270 PolarHBondContact O-N 2.87Å; F267-L271 HydrophobicContact CD2-CD1 4.09Å; F267-L271 HydrophobicContact CD2-CG 3.96Å; F267-L271 HydrophobicContact CE2-CD1 3.69Å; F267-L271 HydrophobicContact CE2-CD2 3.95Å; F267-L271 HydrophobicContact CE2-CG 3.68Å; F267-L271 HydrophobicContact CZ-CD1 3.92Å; F267-L271 HydrophobicContact CZ-CG 4.39Å; F267-L271 WeakPolarHBondContact O-CG 3.46Å; F267-L271 PolarHBondContact O-N 3.29Å; F267-F293 HydrophobicContact CB-CD2 3.83Å; F267-F293 HydrophobicContact CB-CE2 3.42Å; F267-F293 VanDerWaalsContact CB-CE2 3.42Å; F267-F293 HydrophobicContact CB-CZ 3.94Å; F267-F293 HydrophobicContact CD1-CZ 4.43Å; F267-F293 HydrophobicContact CD2-CD1 4.37Å; F267-F293 HydrophobicContact CD2-CD2 4.47Å; F267-F293 AromaticContact CD2-CE1 3.64Å; F267-F293 HydrophobicContact CD2-CE1 3.64Å; F267-F293 AromaticContact CD2-CE2 3.77Å; F267-F293 HydrophobicContact CD2-CE2 3.77Å; F267-F293 AromaticContact CD2-CZ 3.29Å; F267-F293 HydrophobicContact CD2-CZ 3.29Å; F267-F293 HydrophobicContact CE2-CE1 4.13Å; F267-F293 AromaticContact CE2-CZ 3.89Å; F267-F293 HydrophobicContact CE2-CZ 3.89Å; F267-F293 HydrophobicContact CG-CD2 4.44Å; F267-F293 HydrophobicContact CG-CE1 4.39Å; F267-F293 AromaticContact CG-CE2 3.67Å; F267-F293 HydrophobicContact CG-CE2 3.67Å; F267-F293 AromaticContact CG-CZ 3.64Å; F267-F293 HydrophobicContact CG-CZ 3.64Å |
| 268 | R | 97.4 | Very high | 94.8 | Very high | 83 Ų | 83 | 61.3 Ų | 61.3 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 177.9 | -70.6 | -170.3 | -60.1 | -90.1 | -10.5 | 112.3 | P260 W263 S264 V265 K272 | P260-R268 PolarHBondContact O-NH1 3.01Å; W263-R268 PolarHBondContact O-NH1 3.42Å; S264-R268 WeakPolarHBondContact O-CG 3.44Å; S264-R268 PolarHBondContact O-NH1 3Å; S264-R268 VanDerWaalsContact O-NH1 3.16Å; S264-R268 PolarHBondContact O-NH2 3.49Å; V265-R268 PolarHBondContact O-N 2.66Å; R268-K272 WeakPolarHBondContact O-CB 3.36Å; R268-K272 PolarHBondContact O-N 3.32Å |
| 269 | D | 97.6 | Very high | 94.7 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73 | -38.4 | 178.5 | -152 | 46.8 | 0 | 0 | 0 | 111.3 | V265 L271 K272 I273 | V265-D269 PolarHBondContact O-N 2.87Å; D269-L271 PolarHBondContact O-N 2.78Å; D269-K272 PolarHBondContact O-N 3.13Å; D269-K272 IonicContact OD1-NZ 2.75Å; D269-K272 PolarHBondContact OD1-NZ 3.01Å; D269-I273 WeakPolarHBondContact O-CB 3.43Å; D269-I273 WeakPolarHBondContact O-CD1 3.32Å; D269-I273 VanDerWaalsContact O-CG1 3.24Å; D269-I273 WeakPolarHBondContact O-CG1 3.47Å; D269-I273 PolarHBondContact O-N 3.37Å |
| 270 | F | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.8 | -50.5 | 170.8 | -174.9 | -79.1 | 0 | 0 | 0 | 111.5 | C138 L142 L223 L227 E266 F267 I273 A274 L288 H291 F293 V294 | C138-F270 WeakPolarHBondContact SG-CZ 3.47Å; L142-F270 HydrophobicContact CD1-CE2 3.99Å; L142-F270 HydrophobicContact CD1-CZ 3.95Å; L223-F270 HydrophobicContact CD2-CZ 4.46Å; L227-F270 HydrophobicContact CD1-CD1 3.9Å; L227-F270 HydrophobicContact CD1-CE1 3.44Å; L227-F270 VanDerWaalsContact CD1-CE1 3.44Å; L227-F270 HydrophobicContact CD1-CZ 4.38Å; E266-F270 WeakPolarHBondContact O-CB 3.4Å; E266-F270 PolarHBondContact O-N 2.94Å; F267-F270 PolarHBondContact O-N 2.87Å; F270-I273 PolarHBondContact O-N 3.02Å; F270-A274 HydrophobicContact CD1-CB 4.44Å; F270-A274 HydrophobicContact CE1-CB 4.16Å; F270-A274 WeakPolarHBondContact O-CB 3.45Å; F270-A274 PolarHBondContact O-N 2.76Å; F270-L288 HydrophobicContact CD2-CD2 4.16Å; F270-L288 HydrophobicContact CE2-CB 3.97Å; F270-L288 HydrophobicContact CE2-CD1 4.35Å; F270-L288 HydrophobicContact CE2-CD2 3.78Å; F270-L288 HydrophobicContact CE2-CG 4.25Å; F270-L288 HydrophobicContact CZ-CB 4.23Å; F270-L288 HydrophobicContact CZ-CD1 3.94Å; F270-L288 HydrophobicContact CZ-CD2 4.13Å; F270-L288 HydrophobicContact CZ-CG 4.33Å; F270-H291 HydrophobicContact CD2-CB 4.03Å; F270-H291 AromaticContact CD2-CG 3.82Å; F270-H291 AromaticContact CD2-ND1 3.58Å; F270-H291 HydrophobicContact CE2-CB 4.4Å; F270-F293 HydrophobicContact CB-CB 4.11Å; F270-F293 HydrophobicContact CB-CD1 3.96Å; F270-F293 HydrophobicContact CB-CG 4.18Å; F270-F293 HydrophobicContact CD1-CD1 4.26Å; F270-F293 HydrophobicContact CD2-CB 4.13Å; F270-F293 AromaticContact CD2-CD1 3.85Å; F270-F293 HydrophobicContact CD2-CD1 3.85Å; F270-F293 HydrophobicContact CD2-CG 4.44Å; F270-F293 HydrophobicContact CE2-CD1 4.46Å; F270-F293 HydrophobicContact CG-CB 4.4Å; F270-F293 AromaticContact CG-CD1 3.74Å; F270-F293 HydrophobicContact CG-CD1 3.74Å; F270-F293 HydrophobicContact CG-CG 4.39Å; F270-V294 HydrophobicContact CE2-CG2 4.34Å |
| 271 | L | 97.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 178.4 | -74.1 | 177.2 | 0 | 0 | 0 | 112.1 | G224 L227 I228 L257 F267 D269 I273 A274 L275 | G224-L271 VanDerWaalsContact O-CD2 3.32Å; G224-L271 WeakPolarHBondContact O-CD2 3.29Å; L227-L271 HydrophobicContact CB-CD2 3.86Å; L227-L271 HydrophobicContact CD1-CD2 4.36Å; I228-L271 HydrophobicContact CG1-CD1 3.94Å; I228-L271 HydrophobicContact CG1-CD2 4.02Å; L257-L271 HydrophobicContact CD1-CD1 3.54Å; L257-L271 HydrophobicContact CD2-CD1 3.99Å; L257-L271 HydrophobicContact CG-CD1 3.58Å; F267-L271 HydrophobicContact CD2-CD1 4.09Å; F267-L271 HydrophobicContact CD2-CG 3.96Å; F267-L271 HydrophobicContact CE2-CD1 3.69Å; F267-L271 HydrophobicContact CE2-CD2 3.95Å; F267-L271 HydrophobicContact CE2-CG 3.68Å; F267-L271 HydrophobicContact CZ-CD1 3.92Å; F267-L271 HydrophobicContact CZ-CG 4.39Å; F267-L271 WeakPolarHBondContact O-CG 3.46Å; F267-L271 PolarHBondContact O-N 3.29Å; D269-L271 PolarHBondContact O-N 2.78Å; L271-I273 VanDerWaalsContact C-N 3.27Å; L271-I273 PolarHBondContact O-N 3.2Å; L271-A274 PolarHBondContact O-N 3.38Å; L271-L275 VanDerWaalsContact O-CB 3.23Å; L271-L275 WeakPolarHBondContact O-CB 3.42Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 2.88Å |
| 272 | K | 96.8 | Very high | 94.7 | Very high | 141 Ų | 141 | 55.8 Ų | 55.8 | 61% | 0.613 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.3 | -37.1 | 177.2 | 171.1 | -177.2 | 145.3 | -127.5 | 0 | 112.5 | R268 D269 | R268-K272 WeakPolarHBondContact O-CB 3.36Å; R268-K272 PolarHBondContact O-N 3.32Å; D269-K272 PolarHBondContact O-N 3.13Å; D269-K272 IonicContact OD1-NZ 2.75Å; D269-K272 PolarHBondContact OD1-NZ 3.01Å |
| 273 | I | 96.4 | Very high | 94.9 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 28% | 0.277 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -77.9 | -41.5 | 179.3 | -69.8 | 165.6 | 0 | 0 | 0 | 111.2 | D269 F270 L271 L275 P283 L288 | D269-I273 WeakPolarHBondContact O-CB 3.43Å; D269-I273 WeakPolarHBondContact O-CD1 3.32Å; D269-I273 VanDerWaalsContact O-CG1 3.24Å; D269-I273 WeakPolarHBondContact O-CG1 3.47Å; D269-I273 PolarHBondContact O-N 3.37Å; F270-I273 PolarHBondContact O-N 3.02Å; L271-I273 VanDerWaalsContact C-N 3.27Å; L271-I273 PolarHBondContact O-N 3.2Å; I273-L275 VanDerWaalsContact C-N 3.34Å; I273-P283 HydrophobicContact CG2-CG 3.56Å; I273-P283 WeakPolarHBondContact O-CD 3.42Å; I273-L288 HydrophobicContact CG2-CD2 4.11Å |
| 274 | A | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -32.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I220 F270 L271 D276 R282 L288 | I220-A274 HydrophobicContact CG2-CB 4.28Å; F270-A274 HydrophobicContact CD1-CB 4.44Å; F270-A274 HydrophobicContact CE1-CB 4.16Å; F270-A274 WeakPolarHBondContact O-CB 3.45Å; F270-A274 PolarHBondContact O-N 2.76Å; L271-A274 PolarHBondContact O-N 3.38Å; A274-D276 PolarHBondContact O-N 2.99Å; A274-R282 VanDerWaalsContact O-CD 3.29Å; A274-R282 WeakPolarHBondContact O-CD 3.42Å; A274-R282 WeakPolarHBondContact O-CG 3.49Å; A274-L288 HydrophobicContact CB-CD1 4.38Å |
| 275 | L | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 32 | 179.5 | -60.4 | 169.2 | 0 | 0 | 0 | 113.1 | W221 I225 I228 P254 P255 L271 I273 K277 | W221-L275 HydrophobicContact CD2-CD2 3.67Å; W221-L275 HydrophobicContact CE3-CB 4.2Å; W221-L275 HydrophobicContact CE3-CD2 3.97Å; W221-L275 HydrophobicContact CG-CD2 3.97Å; W221-L275 HydrophobicContact CZ2-CD2 4.34Å; W221-L275 HydrophobicContact CZ3-CB 4.15Å; W221-L275 HydrophobicContact CZ3-CD2 4.43Å; W221-L275 WeakPolarHBondContact CZ3-O 3.06Å; W221-L275 WeakPolarHBondContact O-CD2 3.49Å; I225-L275 HydrophobicContact CD1-CD2 3.71Å; I225-L275 HydrophobicContact CG1-CD2 4Å; I228-L275 HydrophobicContact CD1-CD1 3.74Å; P254-L275 HydrophobicContact CB-CB 4.1Å; P254-L275 WeakPolarHBondContact CB-O 3.16Å; P254-L275 WeakPolarHBondContact CG-O 3.32Å; P255-L275 HydrophobicContact CG-CD1 4.17Å; L271-L275 VanDerWaalsContact O-CB 3.23Å; L271-L275 WeakPolarHBondContact O-CB 3.42Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 2.88Å; I273-L275 VanDerWaalsContact C-N 3.34Å; L275-K277 PolarHBondContact O-N 3.48Å |
| 276 | D | 94.4 | Very high | 94.7 | Very high | 50 Ų | 50 | 46.3 Ų | 46.3 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | trans | -65.1 | 128.7 | 164.9 | -173.9 | -7.4 | 0 | 0 | 0 | 109.7 | A274 N278 T281 R282 | A274-D276 PolarHBondContact O-N 2.99Å; D276-N278 PolarHBondContact O-N 3.15Å; D276-N278 PolarHBondContact OD1-N 3.46Å; D276-T281 VanDerWaalsContact OD2-CB 3.24Å; D276-T281 WeakPolarHBondContact OD2-CB 3.47Å; D276-T281 PolarHBondContact OD2-OG1 3.28Å; D276-R282 HydrophobicContact CB-CB 4.06Å; D276-R282 HydrophobicContact CB-CG 4.35Å; D276-R282 VanDerWaalsContact O-CZ 3.25Å; D276-R282 PolarHBondContact O-NE 2.74Å; D276-R282 PolarHBondContact O-NH2 2.94Å; D276-R282 PolarHBondContact OD2-N 2.95Å | ||
| 277 | K | 90.3 | Very high | 94.6 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -69.7 | -21.5 | 178 | -59.7 | -167.4 | 67.6 | 174.3 | 0 | 112.6 | P201 W221 I249 A250 S252 P254 L275 P279 | P201-K277 HydrophobicContact CG-CB 4.25Å; P201-K277 HydrophobicContact CG-CG 4.18Å; W221-K277 HydrophobicContact CH2-CG 4.15Å; W221-K277 HydrophobicContact CZ3-CG 3.94Å; I249-K277 PolarHBondContact O-NZ 3.39Å; A250-K277 PolarHBondContact O-NZ 3.37Å; S252-K277 PolarHBondContact O-NZ 2.96Å; P254-K277 HydrophobicContact CG-CD 4.36Å; P254-K277 HydrophobicContact CG-CG 3.88Å; L275-K277 PolarHBondContact O-N 3.48Å; K277-P279 WeakPolarHBondContact O-CD 3.48Å |
| 278 | N | 88.6 | Confident | 94.6 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | trans | -90.9 | 112 | 177 | 177.2 | 26 | 0 | 0 | 0 | 110.4 | D276 E280 T281 R282 | D276-N278 PolarHBondContact O-N 3.15Å; D276-N278 PolarHBondContact OD1-N 3.46Å; N278-E280 PolarHBondContact O-N 3.26Å; N278-E280 PolarHBondContact OD1-N 3.25Å; N278-T281 WeakPolarHBondContact CB-OG1 3.22Å; N278-T281 PolarHBondContact ND2-OG1 2.91Å; N278-T281 PolarHBondContact O-N 3.1Å; N278-R282 WeakPolarHBondContact O-CB 3.4Å; N278-R282 PolarHBondContact O-N 2.81Å | ||
| 279 | P | 88.2 | Confident | 94.6 | Very high | 31 Ų | 31 | 44.7 Ų | 44.7 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.1 | -178.4 | 27.8 | -35.6 | 0 | 0 | 0 | 113.1 | E202 K217 K277 | E202-P279 HydrophobicContact CB-CG 4.33Å; E202-P279 HydrophobicContact CG-CB 4.35Å; E202-P279 HydrophobicContact CG-CG 4.16Å; K217-P279 HydrophobicContact CB-CB 4.05Å; K217-P279 WeakPolarHBondContact CG-O 3.49Å; K217-P279 PolarHBondContact NZ-O 3.06Å; K277-P279 WeakPolarHBondContact O-CD 3.48Å |
| 280 | E | 86.9 | Confident | 94.6 | Very high | 151 Ų | 151 | 49.5 Ų | 49.5 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -46.7 | 176.3 | -62 | -55.6 | 132 | 0 | 0 | 111.9 | K217 N278 | K217-E280 PolarHBondContact NZ-O 2.93Å; N278-E280 PolarHBondContact O-N 3.26Å; N278-E280 PolarHBondContact OD1-N 3.25Å |
| 281 | T | 91.9 | Very high | 94.6 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -22.2 | -178.7 | 44.1 | 0 | 0 | 0 | 0 | 114 | D276 N278 | D276-T281 VanDerWaalsContact OD2-CB 3.24Å; D276-T281 WeakPolarHBondContact OD2-CB 3.47Å; D276-T281 PolarHBondContact OD2-OG1 3.28Å; N278-T281 WeakPolarHBondContact CB-OG1 3.22Å; N278-T281 PolarHBondContact ND2-OG1 2.91Å; N278-T281 PolarHBondContact O-N 3.1Å |
| 282 | R | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -54.9 | 130.4 | 166.3 | -162.8 | -173.3 | -56.4 | 145.6 | 7.7 | 109.6 | E202 K217 I220 A274 D276 N278 | E202-R282 IonicContact OE1-CZ 2.66Å; E202-R282 IonicContact OE1-NH1 2.75Å; E202-R282 PolarHBondContact OE1-NH1 2.94Å; E202-R282 IonicContact OE1-NH2 2.7Å; E202-R282 PolarHBondContact OE1-NH2 3.02Å; E202-R282 IonicContact OE2-CZ 2.69Å; E202-R282 IonicContact OE2-NH1 3.53Å; E202-R282 IonicContact OE2-NH2 3.23Å; E202-R282 PolarHBondContact OE2-NH2 3.23Å; K217-R282 WeakPolarHBondContact CD-O 3.21Å; K217-R282 VanDerWaalsContact CE-O 3.28Å; K217-R282 WeakPolarHBondContact CE-O 3.29Å; K217-R282 PolarHBondContact NZ-O 3.26Å; K217-R282 WeakPolarHBondContact O-CD 3.21Å; K217-R282 PolarHBondContact O-NH1 3.05Å; I220-R282 HydrophobicContact CB-CG 4.43Å; I220-R282 HydrophobicContact CG2-CG 4.06Å; A274-R282 VanDerWaalsContact O-CD 3.29Å; A274-R282 WeakPolarHBondContact O-CD 3.42Å; A274-R282 WeakPolarHBondContact O-CG 3.49Å; D276-R282 HydrophobicContact CB-CB 4.06Å; D276-R282 HydrophobicContact CB-CG 4.35Å; D276-R282 VanDerWaalsContact O-CZ 3.25Å; D276-R282 PolarHBondContact O-NE 2.74Å; D276-R282 PolarHBondContact O-NH2 2.94Å; D276-R282 PolarHBondContact OD2-N 2.95Å; N278-R282 WeakPolarHBondContact O-CB 3.4Å; N278-R282 PolarHBondContact O-N 2.81Å |
| 283 | P | 95 | Very high | 94.6 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 10% | 0.104 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 167.7 | -177.6 | 29.5 | -37.4 | 0 | 0 | 0 | 113.5 | I273 Q287 L288 | I273-P283 HydrophobicContact CG2-CG 3.56Å; I273-P283 WeakPolarHBondContact O-CD 3.42Å; P283-Q287 HydrophobicContact CB-CB 3.91Å; P283-L288 HydrophobicContact CB-CD2 4.46Å; P283-L288 HydrophobicContact CB-CG 4.19Å; P283-L288 HydrophobicContact CG-CD1 4.02Å; P283-L288 HydrophobicContact CG-CD2 3.61Å; P283-L288 HydrophobicContact CG-CG 3.62Å |
| 284 | S | 93.9 | Very high | 94.6 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -79.9 | 165.1 | 166 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | A286 Q287 L288 | S284-A286 VanDerWaalsContact C-N 3.29Å; S284-A286 PolarHBondContact O-N 2.99Å; S284-Q287 PolarHBondContact O-N 3.1Å; S284-Q287 WeakPolarHBondContact OG-CG 3.22Å; S284-Q287 PolarHBondContact OG-N 2.89Å; S284-Q287 PolarHBondContact OG-OE1 3.37Å; S284-L288 PolarHBondContact O-N 3.13Å; S284-L288 VanDerWaalsContact O-N 3.11Å |
| 285 | A | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.6 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L142 L145 N146 I220 Q287 L288 L289 | L142-A285 HydrophobicContact CD2-CB 4.2Å; L145-A285 HydrophobicContact CB-CB 4.03Å; N146-A285 HydrophobicContact CB-CB 3.97Å; I220-A285 HydrophobicContact CD1-CB 3.94Å; A285-Q287 PolarHBondContact O-N 3.11Å; A285-L288 PolarHBondContact O-N 3.36Å; A285-L289 WeakPolarHBondContact O-CG 3.48Å; A285-L289 PolarHBondContact O-N 3.08Å; A285-L289 VanDerWaalsContact O-N 3.08Å |
| 286 | A | 95.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.7 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S284 L289 | S284-A286 VanDerWaalsContact C-N 3.29Å; S284-A286 PolarHBondContact O-N 2.99Å; A286-L289 PolarHBondContact O-N 3.34Å |
| 287 | Q | 96.1 | Very high | 94.2 | Very high | 113 Ų | 113 | 50.7 Ų | 50.7 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.3 | -33.3 | 178.5 | -70.1 | 164.8 | -60.1 | 0 | 0 | 112.3 | P283 S284 A285 L289 E290 | P283-Q287 HydrophobicContact CB-CB 3.91Å; S284-Q287 PolarHBondContact O-N 3.1Å; S284-Q287 WeakPolarHBondContact OG-CG 3.22Å; S284-Q287 PolarHBondContact OG-N 2.89Å; S284-Q287 PolarHBondContact OG-OE1 3.37Å; A285-Q287 PolarHBondContact O-N 3.11Å; Q287-L289 VanDerWaalsContact C-N 3.34Å; Q287-E290 PolarHBondContact O-N 3.43Å |
| 288 | L | 97.4 | Very high | 94 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73.1 | -24.1 | 176.5 | -75.4 | 177.7 | 0 | 0 | 0 | 113.3 | L142 I220 F270 I273 A274 P283 S284 A285 E290 H291 V294 | L142-L288 HydrophobicContact CD1-CB 3.91Å; L142-L288 HydrophobicContact CD2-CB 3.63Å; L142-L288 HydrophobicContact CD2-CD1 4.03Å; L142-L288 HydrophobicContact CG-CB 4.44Å; I220-L288 HydrophobicContact CG2-CD1 3.46Å; I220-L288 VanDerWaalsContact CG2-CD1 3.46Å; F270-L288 HydrophobicContact CD2-CD2 4.16Å; F270-L288 HydrophobicContact CE2-CB 3.97Å; F270-L288 HydrophobicContact CE2-CD1 4.35Å; F270-L288 HydrophobicContact CE2-CD2 3.78Å; F270-L288 HydrophobicContact CE2-CG 4.25Å; F270-L288 HydrophobicContact CZ-CB 4.23Å; F270-L288 HydrophobicContact CZ-CD1 3.94Å; F270-L288 HydrophobicContact CZ-CD2 4.13Å; F270-L288 HydrophobicContact CZ-CG 4.33Å; I273-L288 HydrophobicContact CG2-CD2 4.11Å; A274-L288 HydrophobicContact CB-CD1 4.38Å; P283-L288 HydrophobicContact CB-CD2 4.46Å; P283-L288 HydrophobicContact CB-CG 4.19Å; P283-L288 HydrophobicContact CG-CD1 4.02Å; P283-L288 HydrophobicContact CG-CD2 3.61Å; P283-L288 HydrophobicContact CG-CG 3.62Å; S284-L288 PolarHBondContact O-N 3.13Å; S284-L288 VanDerWaalsContact O-N 3.11Å; A285-L288 PolarHBondContact O-N 3.36Å; L288-E290 PolarHBondContact O-N 3.19Å; L288-H291 VanDerWaalsContact O-CB 3.23Å; L288-H291 WeakPolarHBondContact O-CB 3.5Å; L288-H291 PolarHBondContact O-N 3.01Å; L288-H291 VanDerWaalsContact O-N 3.13Å; L288-V294 WeakPolarHBondContact O-CG2 3.36Å |
| 289 | L | 97.2 | Very high | 94.2 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -25.8 | 172 | -72 | 170.4 | 0 | 0 | 0 | 113 | L142 E143 N146 A285 A286 Q287 H291 S295 | L142-L289 HydrophobicContact CB-CD2 3.43Å; L142-L289 VanDerWaalsContact CB-CD2 3.43Å; L142-L289 HydrophobicContact CB-CG 3.9Å; L142-L289 HydrophobicContact CD1-CD2 4.2Å; L142-L289 HydrophobicContact CG-CD2 4.48Å; E143-L289 HydrophobicContact CG-CD1 4.1Å; E143-L289 HydrophobicContact CG-CD2 3.67Å; N146-L289 HydrophobicContact CB-CD1 4.4Å; A285-L289 WeakPolarHBondContact O-CG 3.48Å; A285-L289 PolarHBondContact O-N 3.08Å; A285-L289 VanDerWaalsContact O-N 3.08Å; A286-L289 PolarHBondContact O-N 3.34Å; Q287-L289 VanDerWaalsContact C-N 3.34Å; L289-H291 VanDerWaalsContact C-N 3.35Å; L289-S295 WeakPolarHBondContact O-CA 3.5Å; L289-S295 WeakPolarHBondContact O-CB 3.27Å |
| 290 | E | 97.1 | Very high | 94.4 | Very high | 158 Ų | 158 | 54.3 Ų | 54.3 | 74% | 0.738 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -14.4 | 176.5 | -59.4 | -176.2 | 166.5 | 0 | 0 | 112.7 | Q287 L288 S295 | Q287-E290 PolarHBondContact O-N 3.43Å; L288-E290 PolarHBondContact O-N 3.19Å; E290-S295 WeakPolarHBondContact O-CB 3.44Å; E290-S295 PolarHBondContact O-OG 3.27Å |
| 291 | H | 98.1 | Very high | 94.6 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 12% | 0.12 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -63.8 | 136.5 | -175.6 | -168.1 | -91.4 | 0 | 0 | 0 | 112.1 | E266 F270 L288 L289 F293 V294 S295 | E266-H291 PolarHBondContact O-CE1 3.14Å; F270-H291 HydrophobicContact CD2-CB 4.03Å; F270-H291 AromaticContact CD2-CG 3.82Å; F270-H291 AromaticContact CD2-ND1 3.58Å; F270-H291 HydrophobicContact CE2-CB 4.4Å; L288-H291 VanDerWaalsContact O-CB 3.23Å; L288-H291 WeakPolarHBondContact O-CB 3.5Å; L288-H291 PolarHBondContact O-N 3.01Å; L288-H291 VanDerWaalsContact O-N 3.13Å; L289-H291 VanDerWaalsContact C-N 3.35Å; H291-F293 WeakPolarHBondContact ND1-CB 3.41Å; H291-F293 PolarHBondContact ND1-N 3.39Å; H291-F293 PolarHBondContact O-N 3.19Å; H291-V294 HydrophobicContact CB-CG2 4.46Å; H291-V294 PolarHBondContact O-N 2.89Å; H291-S295 PolarHBondContact O-N 3.38Å; H291-S295 PolarHBondContact O-OG 3.42Å |
| 292 | P | 97 | Very high | 94.6 | Very high | 83 Ų | 83 | 48.5 Ų | 48.5 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -52 | -28.4 | -175.8 | -30.8 | 36.4 | 0 | 0 | 0 | 115.8 | E266 V294 | E266-P292 HydrophobicContact CG-CB 4.39Å; P292-V294 VanDerWaalsContact C-N 3.27Å; P292-V294 PolarHBondContact O-N 3.02Å |
| 293 | F | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -30 | 175.5 | -174.8 | -121.4 | 0 | 0 | 0 | 113.9 | E131 I134 Q135 C138 E266 F267 F270 H291 | E131-F293 HydrophobicContact CG-CE2 3.85Å; E131-F293 HydrophobicContact CG-CZ 4.35Å; I134-F293 HydrophobicContact CG2-CE1 4.47Å; I134-F293 HydrophobicContact CG2-CZ 4.1Å; Q135-F293 HydrophobicContact CG-CD2 3.79Å; Q135-F293 HydrophobicContact CG-CE1 4.19Å; Q135-F293 HydrophobicContact CG-CE2 3.29Å; Q135-F293 HydrophobicContact CG-CG 4.41Å; Q135-F293 HydrophobicContact CG-CZ 3.52Å; Q135-F293 WeakPolarHBondContact CG-O 3.37Å; Q135-F293 PolarHBondContact NE2-O 3.14Å; C138-F293 HydrophobicContact CB-CE1 4.25Å; E266-F293 HydrophobicContact CB-CB 4.32Å; E266-F293 HydrophobicContact CB-CD2 4.41Å; F267-F293 HydrophobicContact CB-CD2 3.83Å; F267-F293 HydrophobicContact CB-CE2 3.42Å; F267-F293 VanDerWaalsContact CB-CE2 3.42Å; F267-F293 HydrophobicContact CB-CZ 3.94Å; F267-F293 HydrophobicContact CD1-CZ 4.43Å; F267-F293 HydrophobicContact CD2-CD1 4.37Å; F267-F293 HydrophobicContact CD2-CD2 4.47Å; F267-F293 AromaticContact CD2-CE1 3.64Å; F267-F293 HydrophobicContact CD2-CE1 3.64Å; F267-F293 AromaticContact CD2-CE2 3.77Å; F267-F293 HydrophobicContact CD2-CE2 3.77Å; F267-F293 AromaticContact CD2-CZ 3.29Å; F267-F293 HydrophobicContact CD2-CZ 3.29Å; F267-F293 HydrophobicContact CE2-CE1 4.13Å; F267-F293 AromaticContact CE2-CZ 3.89Å; F267-F293 HydrophobicContact CE2-CZ 3.89Å; F267-F293 HydrophobicContact CG-CD2 4.44Å; F267-F293 HydrophobicContact CG-CE1 4.39Å; F267-F293 AromaticContact CG-CE2 3.67Å; F267-F293 HydrophobicContact CG-CE2 3.67Å; F267-F293 AromaticContact CG-CZ 3.64Å; F267-F293 HydrophobicContact CG-CZ 3.64Å; F270-F293 HydrophobicContact CB-CB 4.11Å; F270-F293 HydrophobicContact CB-CD1 3.96Å; F270-F293 HydrophobicContact CB-CG 4.18Å; F270-F293 HydrophobicContact CD1-CD1 4.26Å; F270-F293 HydrophobicContact CD2-CB 4.13Å; F270-F293 AromaticContact CD2-CD1 3.85Å; F270-F293 HydrophobicContact CD2-CD1 3.85Å; F270-F293 HydrophobicContact CD2-CG 4.44Å; F270-F293 HydrophobicContact CE2-CD1 4.46Å; F270-F293 HydrophobicContact CG-CB 4.4Å; F270-F293 AromaticContact CG-CD1 3.74Å; F270-F293 HydrophobicContact CG-CD1 3.74Å; F270-F293 HydrophobicContact CG-CG 4.39Å; H291-F293 WeakPolarHBondContact ND1-CB 3.41Å; H291-F293 PolarHBondContact ND1-N 3.39Å; H291-F293 PolarHBondContact O-N 3.19Å |
| 294 | V | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -130.3 | -18.3 | -173.7 | -67.7 | 0 | 0 | 0 | 0 | 115 | C138 R139 L142 F270 L288 H291 P292 S296 I297 | C138-V294 HydrophobicContact CB-CG1 3.93Å; R139-V294 HydrophobicContact CB-CB 4.14Å; R139-V294 HydrophobicContact CB-CG1 4.24Å; R139-V294 PolarHBondContact NH1-O 2.94Å; L142-V294 HydrophobicContact CD1-CG1 4.46Å; L142-V294 HydrophobicContact CD1-CG2 3.89Å; F270-V294 HydrophobicContact CE2-CG2 4.34Å; L288-V294 WeakPolarHBondContact O-CG2 3.36Å; H291-V294 HydrophobicContact CB-CG2 4.46Å; H291-V294 PolarHBondContact O-N 2.89Å; P292-V294 VanDerWaalsContact C-N 3.27Å; P292-V294 PolarHBondContact O-N 3.02Å; V294-S296 VanDerWaalsContact C-N 3.31Å; V294-S296 PolarHBondContact O-N 3.35Å; V294-I297 WeakPolarHBondContact O-CB 3.43Å; V294-I297 PolarHBondContact O-N 2.69Å; V294-I297 VanDerWaalsContact O-N 3.15Å |
| 295 | S | 94.3 | Very high | 94 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.6 | -30.8 | -174 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | R139 L289 E290 H291 I297 | R139-S295 PolarHBondContact NH1-O 3.26Å; L289-S295 WeakPolarHBondContact O-CA 3.5Å; L289-S295 WeakPolarHBondContact O-CB 3.27Å; E290-S295 WeakPolarHBondContact O-CB 3.44Å; E290-S295 PolarHBondContact O-OG 3.27Å; H291-S295 PolarHBondContact O-N 3.38Å; H291-S295 PolarHBondContact O-OG 3.42Å; S295-I297 VanDerWaalsContact C-N 3.34Å |
| 296 | S | 90.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 52.4 Ų | 52.4 | 57% | 0.573 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.8 | 176 | 58.6 | 0 | 0 | 0 | 0 | 114.7 | V294 T298 | V294-S296 VanDerWaalsContact C-N 3.31Å; V294-S296 PolarHBondContact O-N 3.35Å; S296-T298 PolarHBondContact O-N 3.37Å |
| 297 | I | 94.1 | Very high | 93.5 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 16% | 0.159 | 28% | 0.278 | C | S | . | . | trans | -78.1 | 119 | -173 | -55 | -62.5 | 0 | 0 | 0 | 110.6 | Q135 V136 R139 V294 S295 | Q135-I297 HydrophobicContact CB-CD1 3.81Å; Q135-I297 HydrophobicContact CB-CG1 4.05Å; Q135-I297 HydrophobicContact CG-CD1 4.42Å; V136-I297 HydrophobicContact CG2-CG2 4.03Å; R139-I297 HydrophobicContact CB-CB 4.34Å; R139-I297 HydrophobicContact CB-CG2 4.28Å; R139-I297 HydrophobicContact CG-CB 4.24Å; R139-I297 HydrophobicContact CG-CG2 4.33Å; R139-I297 PolarHBondContact NH1-O 2.66Å; V294-I297 WeakPolarHBondContact O-CB 3.43Å; V294-I297 PolarHBondContact O-N 2.69Å; V294-I297 VanDerWaalsContact O-N 3.15Å; S295-I297 VanDerWaalsContact C-N 3.34Å | ||
| 298 | T | 87 | Confident | 93 | Very high | 139 Ų | 139 | 46.1 Ų | 46.1 | 85% | 0.853 | 26% | 0.261 | S | S | * | . | trans | -135.4 | 1.1 | -173.4 | 47 | 0 | 0 | 0 | 0 | 113.7 | S296 | S296-T298 PolarHBondContact O-N 3.37Š| ||
| 299 | S | 92.8 | Very high | 92.5 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 52% | 0.517 | 26% | 0.262 | S | S | . | . | trans | -139 | 137.1 | -179 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | V136 K301 | V136-S299 WeakPolarHBondContact CG2-O 3.43Å; S299-K301 VanDerWaalsContact C-N 3.34Å; S299-K301 PolarHBondContact OG-N 3.36Å | ||
| 300 | N | 92.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | trans | -89.4 | 5.1 | 177.7 | 70.7 | 3.5 | 0 | 0 | 0 | 113.9 | V136 E168 G169 D170 A302 L303 R304 | V136-N300 HydrophobicContact CG1-CB 4.14Å; E168-N300 PolarHBondContact O-ND2 3.2Å; E168-N300 PolarHBondContact O-OD1 3.18Å; G169-N300 WeakPolarHBondContact O-CB 3.38Å; D170-N300 VanDerWaalsContact CG-ND2 3.3Å; D170-N300 PolarHBondContact OD1-ND2 3.39Å; D170-N300 PolarHBondContact OD2-ND2 3.36Å; N300-A302 PolarHBondContact O-N 3.1Å; N300-L303 WeakPolarHBondContact O-CA 3.31Å; N300-L303 WeakPolarHBondContact O-CB 3.28Å; N300-L303 PolarHBondContact O-N 2.98Å; N300-R304 PolarHBondContact O-N 3.12Å; N300-R304 PolarHBondContact OD1-NH2 3.43Å | ||
| 301 | K | 91.4 | Very high | 90.9 | Very high | 100 Ų | 100 | 43.9 Ų | 43.9 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -52.8 | -45.7 | -171.3 | 175.5 | 168.7 | 172.1 | 167.4 | 0 | 114 | S299 L303 R304 E305 | S299-K301 VanDerWaalsContact C-N 3.34Å; S299-K301 PolarHBondContact OG-N 3.36Å; K301-L303 PolarHBondContact O-N 3.09Å; K301-L303 VanDerWaalsContact O-N 3.15Å; K301-R304 WeakPolarHBondContact O-CB 3.44Å; K301-R304 PolarHBondContact O-N 3.29Å; K301-R304 VanDerWaalsContact O-N 3.16Å; K301-E305 WeakPolarHBondContact CE-OE1 3.45Å; K301-E305 HydrophobicContact CG-CG 4.35Å; K301-E305 IonicContact NZ-OE1 3.47Å; K301-E305 WeakPolarHBondContact O-CG 3.3Å; K301-E305 PolarHBondContact O-N 3.38Å |
| 302 | A | 91 | Very high | 90 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -25.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P132 Q133 N300 L306 | P132-A302 HydrophobicContact CB-CB 4.18Å; Q133-A302 HydrophobicContact CG-CB 4.34Å; Q133-A302 VanDerWaalsContact CG-O 3.24Å; Q133-A302 WeakPolarHBondContact CG-O 3.22Å; Q133-A302 PolarHBondContact NE2-O 3.31Å; N300-A302 PolarHBondContact O-N 3.1Å; A302-L306 PolarHBondContact O-N 2.86Å |
| 303 | L | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -90 | -32.7 | 179.1 | -161.4 | 58.9 | 0 | 0 | 0 | 111.5 | V136 V137 M165 G169 I171 N300 K301 L306 V307 | V136-L303 HydrophobicContact CB-CB 4.24Å; V136-L303 HydrophobicContact CB-CD2 4.15Å; V136-L303 HydrophobicContact CG1-CB 3.92Å; V136-L303 HydrophobicContact CG1-CD2 3.58Å; V136-L303 HydrophobicContact CG1-CG 4.38Å; V137-L303 HydrophobicContact CG2-CD1 3.66Å; V137-L303 HydrophobicContact CG2-CD2 3.56Å; V137-L303 HydrophobicContact CG2-CG 4.31Å; M165-L303 HydrophobicContact CE-CD1 3.45Å; M165-L303 VanDerWaalsContact CE-CD1 3.45Å; M165-L303 HydrophobicContact CE-CD2 4.4Å; M165-L303 HydrophobicContact CE-CG 3.71Å; M165-L303 HydrophobicContact SD-CD1 3.97Å; M165-L303 HydrophobicContact SD-CD2 3.99Å; M165-L303 HydrophobicContact SD-CG 3.96Å; G169-L303 WeakPolarHBondContact O-CD2 3.24Å; I171-L303 HydrophobicContact CG2-CD2 4.05Å; N300-L303 WeakPolarHBondContact O-CA 3.31Å; N300-L303 WeakPolarHBondContact O-CB 3.28Å; N300-L303 PolarHBondContact O-N 2.98Å; K301-L303 PolarHBondContact O-N 3.09Å; K301-L303 VanDerWaalsContact O-N 3.15Å; L303-L306 HydrophobicContact CD1-CD2 3.84Å; L303-L306 WeakPolarHBondContact O-CB 3.37Å; L303-L306 PolarHBondContact O-N 3.13Å; L303-V307 PolarHBondContact O-N 3.32Å; L303-V307 VanDerWaalsContact O-N 3.14Å |
| 304 | R | 91.3 | Very high | 85.7 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -45 | 166.1 | -166.5 | -174.6 | -54.4 | 161.5 | 11.5 | 111.7 | E168 N300 K301 L306 V307 A308 D536 | E168-R304 PolarHBondContact O-NE 2.94Å; N300-R304 PolarHBondContact O-N 3.12Å; N300-R304 PolarHBondContact OD1-NH2 3.43Å; K301-R304 WeakPolarHBondContact O-CB 3.44Å; K301-R304 PolarHBondContact O-N 3.29Å; K301-R304 VanDerWaalsContact O-N 3.16Å; R304-L306 VanDerWaalsContact C-N 3.29Å; R304-L306 PolarHBondContact O-N 3.14Å; R304-V307 PolarHBondContact O-N 3.45Å; R304-A308 WeakPolarHBondContact O-CB 3.22Å; R304-A308 PolarHBondContact O-N 3.41Å; R304-D536 IonicContact CZ-OD1 2.71Å; R304-D536 IonicContact NH1-OD1 3.57Å; R304-D536 PolarHBondContact NH1-OD1 2.87Å; R304-D536 IonicContact NH1-OD2 3.53Å; R304-D536 PolarHBondContact NH1-OD2 2.87Å |
| 305 | E | 89.5 | Confident | 83.4 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.4 | -36 | 175.2 | -72.9 | 171.5 | 161.4 | 0 | 0 | 112 | K301 A308 E309 | K301-E305 WeakPolarHBondContact CE-OE1 3.45Å; K301-E305 HydrophobicContact CG-CG 4.35Å; K301-E305 IonicContact NZ-OE1 3.47Å; K301-E305 WeakPolarHBondContact O-CG 3.3Å; K301-E305 PolarHBondContact O-N 3.38Å; E305-A308 PolarHBondContact O-N 3.5Å; E305-E309 WeakPolarHBondContact O-CB 3.39Å; E305-E309 PolarHBondContact O-N 3.29Å |
| 306 | L | 90.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 174.2 | -175.6 | 67.8 | 0 | 0 | 0 | 112.3 | I121 L125 L129 Q133 M165 A302 L303 R304 A308 E309 A310 | I121-L306 HydrophobicContact CG2-CD1 4.16Å; I121-L306 HydrophobicContact CG2-CD2 3.97Å; I121-L306 HydrophobicContact CG2-CG 3.88Å; L125-L306 HydrophobicContact CD1-CD1 3.32Å; L125-L306 HydrophobicContact CD1-CG 4.26Å; L129-L306 HydrophobicContact CD1-CD2 4.1Å; L129-L306 HydrophobicContact CD2-CD2 4.09Å; L129-L306 HydrophobicContact CG-CD2 3.8Å; Q133-L306 HydrophobicContact CB-CD2 4.49Å; Q133-L306 HydrophobicContact CG-CB 4.29Å; Q133-L306 HydrophobicContact CG-CD2 4.32Å; M165-L306 HydrophobicContact CE-CD2 4.19Å; A302-L306 PolarHBondContact O-N 2.86Å; L303-L306 HydrophobicContact CD1-CD2 3.84Å; L303-L306 WeakPolarHBondContact O-CB 3.37Å; L303-L306 PolarHBondContact O-N 3.13Å; R304-L306 VanDerWaalsContact C-N 3.29Å; R304-L306 PolarHBondContact O-N 3.14Å; L306-A308 VanDerWaalsContact C-N 3.33Å; L306-E309 PolarHBondContact O-N 3.43Å; L306-A310 WeakPolarHBondContact O-CB 3.41Å; L306-A310 PolarHBondContact O-N 3.19Å |
| 307 | V | 88.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 178.2 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | I121 M165 L167 L303 R304 K311 | I121-V307 HydrophobicContact CD1-CG2 4.4Å; M165-V307 HydrophobicContact CB-CG2 4.28Å; M165-V307 HydrophobicContact CE-CG2 3.44Å; M165-V307 VanDerWaalsContact CE-CG2 3.44Å; L167-V307 HydrophobicContact CD2-CG1 4.07Å; L303-V307 PolarHBondContact O-N 3.32Å; L303-V307 VanDerWaalsContact O-N 3.14Å; R304-V307 PolarHBondContact O-N 3.45Å; V307-K311 HydrophobicContact CG1-CD 4.16Å; V307-K311 WeakPolarHBondContact O-CB 3.48Å; V307-K311 WeakPolarHBondContact O-CG 3.32Å; V307-K311 PolarHBondContact O-N 2.99Å |
| 308 | A | 86.9 | Confident | 77.3 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R304 E305 L306 A310 K311 A312 F533 V535 | R304-A308 WeakPolarHBondContact O-CB 3.22Å; R304-A308 PolarHBondContact O-N 3.41Å; E305-A308 PolarHBondContact O-N 3.5Å; L306-A308 VanDerWaalsContact C-N 3.33Å; A308-A310 PolarHBondContact O-N 2.8Å; A308-K311 CarbonylContact O-C 3.59Å; A308-K311 PolarHBondContact O-N 3.02Å; A308-A312 PolarHBondContact O-N 2.96Å; A308-A312 VanDerWaalsContact O-N 3.07Å; A308-F533 HydrophobicContact CB-CD2 3.39Å; A308-F533 HydrophobicContact CB-CE2 3.68Å; A308-F533 HydrophobicContact CB-CG 4.1Å; A308-V535 HydrophobicContact CB-CG2 4.08Å |
| 309 | E | 85.6 | Confident | 75.6 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 173.4 | -169 | -162.9 | 159.4 | 0 | 0 | 111.6 | L125 R127 E305 L306 K311 A312 R531 F533 | L125-E309 HydrophobicContact CD2-CB 4.42Å; L125-E309 HydrophobicContact CD2-CG 3.97Å; R127-E309 IonicContact CZ-OE2 3.17Å; R127-E309 IonicContact NE-OE1 3.73Å; R127-E309 IonicContact NE-OE2 3.81Å; R127-E309 IonicContact NH2-OE2 2.67Å; R127-E309 PolarHBondContact NH2-OE2 3.44Å; E305-E309 WeakPolarHBondContact O-CB 3.39Å; E305-E309 PolarHBondContact O-N 3.29Å; L306-E309 PolarHBondContact O-N 3.43Å; E309-K311 PolarHBondContact O-N 3.47Å; E309-A312 WeakPolarHBondContact O-CB 3.39Å; E309-A312 PolarHBondContact O-N 3.48Å; E309-R531 WeakPolarHBondContact O-CD 2.93Å; E309-R531 PolarHBondContact O-NE 2.93Å; E309-R531 IonicContact OE1-CZ 2.72Å; E309-R531 IonicContact OE1-NH1 3.81Å; E309-R531 PolarHBondContact OE1-NH1 2.88Å; E309-F533 HydrophobicContact CB-CE1 4.1Å; E309-F533 HydrophobicContact CB-CZ 4.28Å; E309-F533 HydrophobicContact CG-CE1 4.37Å |
| 310 | A | 82.2 | Confident | 73.2 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | I121 L125 L306 A308 | I121-A310 HydrophobicContact CG1-CB 4.49Å; I121-A310 HydrophobicContact CG2-CB 4.25Å; L125-A310 HydrophobicContact CD1-CB 4.42Å; L125-A310 HydrophobicContact CD2-CB 4.05Å; L125-A310 HydrophobicContact CG-CB 4.26Å; L306-A310 WeakPolarHBondContact O-CB 3.41Å; L306-A310 PolarHBondContact O-N 3.19Å; A308-A310 PolarHBondContact O-N 2.8Å |
| 311 | K | 79.4 | Confident | 71.2 | Confident | 107 Ų | 107 | 65.3 Ų | 65.3 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 0.6 | 177.4 | -69.3 | -177.7 | 175.9 | -141.9 | 0 | 113.9 | P114 L167 V307 A308 E309 | P114-K311 VanDerWaalsContact O-CE 3.27Å; P114-K311 WeakPolarHBondContact O-CE 3.26Å; P114-K311 PolarHBondContact O-NZ 3.19Å; L167-K311 HydrophobicContact CD2-CD 3.8Å; V307-K311 HydrophobicContact CG1-CD 4.16Å; V307-K311 WeakPolarHBondContact O-CB 3.48Å; V307-K311 WeakPolarHBondContact O-CG 3.32Å; V307-K311 PolarHBondContact O-N 2.99Å; A308-K311 CarbonylContact O-C 3.59Å; A308-K311 PolarHBondContact O-N 3.02Å; E309-K311 PolarHBondContact O-N 3.47Å |
| 312 | A | 78.1 | Confident | 68.8 | Low | 15 Ų | 15 | 71 Ų | 71 | 12% | 0.124 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -76.1 | 137.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A308 E309 R531 F533 | A308-A312 PolarHBondContact O-N 2.96Å; A308-A312 VanDerWaalsContact O-N 3.07Å; E309-A312 WeakPolarHBondContact O-CB 3.39Å; E309-A312 PolarHBondContact O-N 3.48Å; A312-R531 HydrophobicContact CB-CB 3.8Å; A312-R531 HydrophobicContact CB-CG 4.01Å; A312-F533 HydrophobicContact CB-CB 3.97Å; A312-F533 HydrophobicContact CB-CD1 3.74Å; A312-F533 HydrophobicContact CB-CG 4.26Å |
| 313 | E | 52.8 | Low | 66.3 | Low | 177 Ų | 177 | 76.3 Ų | 76.3 | 83% | 0.827 | 39% | 0.388 | S | S | * | . | trans | -63.4 | 143.3 | 165.7 | -66.2 | -171.9 | 161.5 | 0 | 0 | 110 | ||||
| 314 | V | 52.7 | Low | 63.8 | Low | 62 Ų | 62 | 85.4 Ų | 85.4 | 38% | 0.376 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.1 | -168.3 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | E316 R529 R531 | V314-E316 HydrophobicContact CG1-CG 4.16Å; V314-R529 HydrophobicContact CG1-CG 3.79Å; V314-R531 HydrophobicContact CG2-CG 4.22Å |
| 315 | M | 47.2 | Very low | 61.1 | Low | 107 Ų | 107 | 86.2 Ų | 86.2 | 53% | 0.527 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.8 | 162.8 | -70.9 | 179 | 61.7 | 0 | 0 | 110.4 | T530 | M315-T530 PolarHBondContact N-O 2.88Å; M315-T530 PolarHBondContact O-N 3.33Å |
| 316 | E | 53.3 | Low | 58.7 | Low | 114 Ų | 114 | 92.1 Ų | 92.1 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124 | 176.9 | -74.8 | -176.9 | 178.8 | 0 | 0 | 110.6 | V314 R529 | V314-E316 HydrophobicContact CG1-CG 4.16Å; E316-R529 HydrophobicContact CG-CG 4.02Å; E316-R529 IonicContact OE1-CZ 3.92Å; E316-R529 IonicContact OE1-NE 3.32Å; E316-R529 PolarHBondContact OE1-NE 3.23Å; E316-R529 IonicContact OE1-NH2 2.73Å; E316-R529 PolarHBondContact OE1-NH2 2.97Å |
| 317 | E | 50.2 | Low | 56.2 | Low | 106 Ų | 106 | 100.6 Ų | 100.6 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.9 | 176.8 | -67.9 | 177.7 | 171.3 | 0 | 0 | 110.2 | K528 | E317-K528 PolarHBondContact N-O 3.43Å; E317-K528 VanDerWaalsContact N-O 3.1Å; E317-K528 PolarHBondContact O-N 2.78Å |
| 318 | I | 48.1 | Very low | 53.5 | Low | 122 Ų | 122 | 109.2 Ų | 109.2 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 106.8 | -178.9 | -59.3 | 172.7 | 0 | 0 | 0 | 108.1 | L527 | I318-L527 HydrophobicContact CG1-CD1 3.76Å |
| 319 | E | 51.6 | Low | 50.8 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 47% | 0.472 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 118.3 | 172.2 | -82.1 | 174.1 | 161.2 | 0 | 0 | 110.9 | G321 K528 | E319-G321 PolarHBondContact O-N 2.75Å; E319-K528 IonicContact OE1-NZ 3.05Å; E319-K528 PolarHBondContact OE1-NZ 3.47Å; E319-K528 WeakPolarHBondContact OE2-CE 3.38Å; E319-K528 IonicContact OE2-NZ 3.73Å; E319-K528 PolarHBondContact OE2-NZ 3.4Å |
| 320 | D | 41.8 | Very low | 49.3 | Very low | 84 Ų | 84 | 120.1 Ų | 120.1 | 45% | 0.449 | 63% | 0.628 | S | S | . | * | trans | -85.5 | 100.2 | 165.3 | -91.4 | 22.2 | 0 | 0 | 0 | 109.3 | R322 K525 | D320-R322 PolarHBondContact O-N 2.75Å; D320-K525 VanDerWaalsContact OD1-CD 3.31Å; D320-K525 WeakPolarHBondContact OD1-CD 3.33Å; D320-K525 WeakPolarHBondContact OD1-CE 3.47Å; D320-K525 IonicContact OD1-NZ 2.83Å; D320-K525 PolarHBondContact OD1-NZ 2.88Å; D320-K525 IonicContact OD2-NZ 2.69Å; D320-K525 PolarHBondContact OD2-NZ 3.22Å | ||
| 321 | G | 51.2 | Low | 47 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 67% | 0.665 | S | S | * | * | trans | -61.5 | 99.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E319 | E319-G321 PolarHBondContact O-N 2.75Š| ||
| 322 | R | 41.2 | Very low | 44.7 | Very low | 219 Ų | 219 | 128.6 Ų | 128.6 | 83% | 0.826 | 68% | 0.681 | S | S | * | * | trans | -95.7 | 127.8 | 164.6 | -62 | -176.1 | -175.3 | -173.1 | 2.7 | 108 | D320 E324 | D320-R322 PolarHBondContact O-N 2.75Å; R322-E324 PolarHBondContact O-N 3.32Å | ||
| 323 | D | 39.1 | Very low | 42.4 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | -65.3 | 111.4 | 161.9 | -77.3 | -43.1 | 0 | 0 | 0 | 107.3 | K521 | D323-K521 IonicContact OD2-NZ 3.67Å; D323-K521 PolarHBondContact OD2-NZ 3.41Å | ||
| 324 | E | 38.3 | Very low | 41.3 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 90% | 0.897 | 71% | 0.709 | S | S | * | * | trans | -84.2 | 135 | 152.1 | -66 | -161.3 | 156.1 | 0 | 0 | 107.6 | R322 | R322-E324 PolarHBondContact O-N 3.32Š| ||
| 325 | G | 34.8 | Very low | 40.2 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 73% | 0.728 | S | S | * | * | trans | -111.2 | 123 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 326 | E | 39.1 | Very low | 39.3 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | -75.4 | 152.1 | 159.3 | -61.5 | 169.8 | 169.9 | 0 | 0 | 109.1 | ||||
| 327 | E | 37.9 | Very low | 38.1 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | cis | -158.2 | -148.6 | -6.3 | -135 | -175.4 | -154.3 | 0 | 0 | 110.3 | ||||
| 328 | E | 32.5 | Very low | 37 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | 87.6 | 126.7 | -177.6 | -56.7 | 177.3 | -178.9 | 0 | 0 | 114.1 | ||||
| 329 | D | 30.1 | Very low | 36.1 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | cis | -148.8 | 151.6 | 15.4 | -126.7 | -15.2 | 0 | 0 | 0 | 112.1 | ||||
| 330 | P | 54.3 | Low | 35.1 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -111.2 | 130.6 | 178.5 | 36.9 | -28.2 | 0 | 0 | 0 | 115.4 | ||||
| 331 | V | 34.3 | Very low | 34.4 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 98% | 0.976 | 79% | 0.785 | S | S | * | * | trans | -155.8 | 156.5 | 157.3 | -103.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 332 | D | 30.9 | Very low | 33.3 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -102.2 | 142.4 | -167.6 | 174.1 | 32.1 | 0 | 0 | 0 | 114.2 | ||||
| 333 | A | 29.5 | Very low | 32.6 | Very low | 98 Ų | 98 | 141 Ų | 141 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -166.3 | 125.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 334 | T | 29.6 | Very low | 32 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -78.4 | 170.3 | -176 | 50.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 335 | S | 28.9 | Very low | 31.6 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 92.6 | 143.7 | 163.6 | 81.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 336 | T | 28.2 | Very low | 31.3 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | cis | -149.1 | 172.6 | 7.2 | -20.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 337 | L | 28.2 | Very low | 30.8 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -48 | 148.1 | -176.7 | -99.3 | 60 | 0 | 0 | 0 | 120.6 | ||||
| 338 | E | 28.1 | Very low | 30.3 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | 45.5 | 123.1 | 131 | -63.5 | 173.9 | 159.2 | 0 | 0 | 122.8 | ||||
| 339 | N | 27.8 | Very low | 31.1 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | 174.1 | 154.9 | 111.8 | -92.9 | -63.8 | 0 | 0 | 0 | 109.2 | |||||
| 340 | H | 31.1 | Very low | 32 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | cis | -158.6 | 148.4 | 12.4 | -127.9 | -56 | 0 | 0 | 0 | 111.4 | ||||
| 341 | T | 27.5 | Very low | 30.6 | Very low | 100 Ų | 100 | 129 Ų | 129 | 61% | 0.613 | 76% | 0.759 | S | S | * | * | trans | 75.7 | 94.7 | 141.9 | -48.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 342 | Q | 27.6 | Very low | 30.4 | Very low | 166 Ų | 166 | 128 Ų | 128 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | 62.2 | 150.3 | 120.3 | -64.4 | -179.1 | -40.3 | 0 | 0 | 126.4 | |||||
| 343 | N | 26 | Very low | 30.4 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 77 | 128.7 | 163.5 | -56.7 | -18.9 | 0 | 0 | 0 | 117.3 | ||||
| 344 | S | 27.6 | Very low | 30.5 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | cis | 76.3 | 129.6 | 37.4 | -51.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 345 | S | 29.7 | Very low | 30.5 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | cis | -146 | 153.7 | 17.2 | -72.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 346 | E | 28.5 | Very low | 30.4 | Very low | 175 Ų | 175 | 133 Ų | 133 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | 81.8 | 150.6 | 65.1 | -146.5 | -168.8 | -162.3 | 0 | 0 | 116.2 | |||||
| 347 | V | 29.3 | Very low | 31.1 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | trans | 87.6 | 157.6 | 166 | -168.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 348 | S | 26.8 | Very low | 31 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -125.4 | -128.8 | -167.6 | -61.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 349 | P | 50 | Low | 30.8 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -107.1 | -153.6 | -136.9 | 45.2 | -29.2 | 0 | 0 | 0 | 112.6 | ||||
| 350 | P | 48 | Very low | 30.7 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | cis | -137.3 | -156 | -8.1 | 41.7 | -20.4 | 0 | 0 | 0 | 115 | ||||
| 351 | S | 24.8 | Very low | 30.9 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 80.4 | 154.3 | 159.7 | -67 | 0 | 0 | 0 | 0 | 120 | ||||
| 352 | L | 30.8 | Very low | 30.8 | Very low | 140 Ų | 140 | 130 Ų | 130 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | cis | -167.9 | 163.2 | -28.6 | -111.6 | 177.2 | 0 | 0 | 0 | 110.5 | ||||
| 353 | N | 29.4 | Very low | 30.8 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 84.1 | 130.3 | 155.2 | -62.1 | -23.3 | 0 | 0 | 0 | 124.3 | ||||
| 354 | A | 32.4 | Very low | 31 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | 87 | 110.4 | 133.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 355 | D | 29.7 | Very low | 31.6 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | 89.4 | 152.6 | 127.4 | -85.5 | -52.2 | 0 | 0 | 0 | 126.7 | |||||
| 356 | K | 27 | Very low | 31.6 | Very low | 188 Ų | 188 | 131 Ų | 131 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | -66.9 | -178 | -175.7 | -101 | 178.7 | 176.4 | 177.7 | 0 | 116.7 | ||||
| 357 | P | 43.5 | Very low | 31.5 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -139.9 | -150.3 | -18.1 | 33.8 | -9.7 | 0 | 0 | 0 | 113.6 | ||||
| 358 | L | 25.3 | Very low | 32.1 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | trans | 90.9 | 145.5 | 166.4 | -53.5 | 172.9 | 0 | 0 | 0 | 116.5 | ||||
| 359 | T | 24.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | cis | 124.8 | 111.2 | -7.9 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 360 | E | 25 | Very low | 31.1 | Very low | 150 Ų | 150 | 130 Ų | 130 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | 55 | 161 | 169.7 | -76.2 | -163.4 | -154.5 | 0 | 0 | 118.9 | S362 | E360-S362 WeakPolarHBondContact OE2-CB 3.46Å; E360-S362 PolarHBondContact OE2-OG 2.85Å | ||
| 361 | P | 34.1 | Very low | 30 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | -136 | 159.7 | 98.4 | 39.5 | -29.8 | 0 | 0 | 0 | 114.7 | |||||
| 362 | S | 25.9 | Very low | 30.2 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -140.5 | 147.7 | 176.2 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | E360 | E360-S362 WeakPolarHBondContact OE2-CB 3.46Å; E360-S362 PolarHBondContact OE2-OG 2.85Å | ||
| 363 | S | 28.8 | Very low | 30.1 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | trans | -158.1 | 132.1 | 171.6 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 364 | T | 29.2 | Very low | 29.9 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -102 | 166.4 | -174.8 | -21.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 365 | P | 40.9 | Very low | 29.7 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | -141.6 | 176.5 | 113.4 | 31 | -13.1 | 0 | 0 | 0 | 114.7 | |||||
| 366 | L | 29 | Very low | 29.6 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -101.8 | 150.9 | -167.6 | -55.5 | 93.3 | 0 | 0 | 0 | 115 | ||||
| 367 | A | 27.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 128 Ų | 128 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | 55.7 | 159.5 | 138.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 368 | P | 40.8 | Very low | 29.2 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | cis | -134.6 | -148.4 | 16.3 | 44.2 | -24.1 | 0 | 0 | 0 | 115.5 | ||||
| 369 | S | 27.4 | Very low | 29.1 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -93 | -179.7 | -160.4 | 53.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 370 | Q | 27.8 | Very low | 29.1 | Very low | 182 Ų | 182 | 125.8 Ų | 125.8 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | 108.8 | 143.6 | 170.5 | -65.5 | -176.3 | 8.3 | 0 | 0 | 114.7 | ||||
| 371 | S | 26.5 | Very low | 29.2 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | cis | -174.6 | 173.3 | -11.9 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 372 | Q | 28.2 | Very low | 29.5 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 87.5 | 116.3 | 152.8 | -62.4 | -150.6 | -97.8 | 0 | 0 | 121.9 | ||||
| 373 | D | 28.1 | Very low | 29.6 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | 67.8 | 147.1 | 120.9 | -69.9 | -65.4 | 0 | 0 | 0 | 122.8 | |||||
| 374 | S | 27 | Very low | 29.4 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | cis | -163.9 | 152.4 | -6.2 | -128.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 375 | V | 27.8 | Very low | 29.3 | Very low | 120 Ų | 120 | 126 Ų | 126 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 48.4 | 132.4 | 127.4 | 175.9 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 376 | N | 26.7 | Very low | 28.5 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | cis | -159.5 | 168.7 | 47 | -145.9 | -9.7 | 0 | 0 | 0 | 116.3 | ||||
| 377 | E | 24.1 | Very low | 28.4 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | -91.3 | -167.5 | 164.6 | -125.3 | -152.4 | 111.8 | 0 | 0 | 110.3 | C379 | E377-C379 PolarHBondContact OE1-N 3.03Å; E377-C379 VanDerWaalsContact OE1-N 3.16Å | ||
| 378 | P | 37.9 | Very low | 29 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -142 | 158.3 | 20.7 | 42.2 | -21.7 | 0 | 0 | 0 | 120.7 | ||||
| 379 | C | 22.6 | Very low | 28.4 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | trans | 35.8 | 133.5 | 133.7 | -165.7 | 0 | 0 | 0 | 0 | 124.1 | E377 | E377-C379 PolarHBondContact OE1-N 3.03Å; E377-C379 VanDerWaalsContact OE1-N 3.16Å | ||
| 380 | S | 26.2 | Very low | 28.2 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | -165.2 | 141.4 | 128.6 | -80.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 381 | Q | 27.5 | Very low | 28.2 | Very low | 172 Ų | 172 | 126.5 Ų | 126.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -104.3 | -176 | 169.2 | -66.3 | -171 | -27.5 | 0 | 0 | 111.4 | ||||
| 382 | P | 39.9 | Very low | 28.2 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | -143.7 | 141.4 | 89.7 | 35.3 | -18 | 0 | 0 | 0 | 118 | |||||
| 383 | S | 28.3 | Very low | 28.1 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -12 | 152.2 | 152.8 | 56.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 384 | G | 23.9 | Very low | 29 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -163.7 | 129.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 385 | D | 27 | Very low | 29.1 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -91.2 | 149 | -170.8 | -87.6 | -62.8 | 0 | 0 | 0 | 115 | ||||
| 386 | E | 25.2 | Very low | 29.1 | Very low | 183 Ų | 183 | 125.9 Ų | 125.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | -174.1 | 161.4 | 107.9 | -101.9 | -166.5 | 121.1 | 0 | 0 | 112.6 | |||||
| 387 | S | 25.7 | Very low | 29.3 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -159.6 | 153.3 | 177.2 | -71 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 388 | P | 39.8 | Very low | 30.6 | Very low | 106 Ų | 106 | 122 Ų | 122 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | -156.3 | 143.1 | 93.9 | 37.1 | -17.2 | 0 | 0 | 0 | 118.2 | |||||
| 389 | Q | 28 | Very low | 30 | Very low | 177 Ų | 177 | 120.4 Ų | 120.4 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 69.4 | 152.5 | 135.3 | -65.2 | 174.2 | 27.8 | 0 | 0 | 119.1 | ||||
| 390 | T | 24.5 | Very low | 30.4 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | cis | -152.7 | 149.1 | 5.9 | -6.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 391 | T | 26.6 | Very low | 30.6 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 18.7 | 148.9 | 142.1 | 55.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 392 | S | 27 | Very low | 30.7 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | cis | -175.8 | 154.4 | -5.9 | 47.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 393 | A | 26.4 | Very low | 30.1 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | -86.2 | -169.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 394 | P | 46 | Very low | 30.1 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -151.8 | -177.6 | 10.7 | 46.8 | -25.8 | 0 | 0 | 0 | 119.3 | ||||
| 395 | V | 29.4 | Very low | 30.2 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | 51.1 | 130.4 | 158.3 | -146.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 396 | V | 29.1 | Very low | 30.3 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | 161 | 132.8 | 119.2 | 164 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 397 | A | 30.2 | Very low | 30.9 | Very low | 88 Ų | 88 | 119.4 Ų | 119.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -141.5 | 172.6 | 165 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 398 | P | 51.7 | Low | 31.2 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | cis | -135 | -170.9 | 12.8 | 42.4 | -24 | 0 | 0 | 0 | 115.1 | ||||
| 399 | G | 24.9 | Very low | 31.3 | Very low | 78 Ų | 78 | 120.4 Ų | 120.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -166.8 | 111.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 400 | N | 30.4 | Very low | 31.1 | Very low | 145 Ų | 145 | 119.8 Ų | 119.8 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -70.1 | 164.9 | 177.3 | -131 | 32.4 | 0 | 0 | 0 | 111.1 | ||||
| 401 | E | 30.4 | Very low | 31.3 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -163.6 | 154.1 | 43.1 | -78.7 | -145.8 | 141 | 0 | 0 | 117.4 | ||||
| 402 | N | 30.4 | Very low | 31.3 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | 60.7 | 128.8 | 132.8 | -64.8 | -31.1 | 0 | 0 | 0 | 127.6 | ||||
| 403 | G | 26.1 | Very low | 31.2 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 124.1 | 146.9 | 133 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 404 | L | 28.3 | Very low | 31.1 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | cis | -172.4 | 149.2 | -28.6 | -125.3 | 164.1 | 0 | 0 | 0 | 110.6 | ||||
| 405 | A | 26.3 | Very low | 30.6 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | 66.5 | 107.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 406 | V | 29.2 | Very low | 30.4 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | 31.6 | 128.7 | 104.6 | -176.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 407 | P | 38.4 | Very low | 30.2 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | -153.1 | 179 | 65.1 | 42.6 | -21.6 | 0 | 0 | 0 | 120.3 | |||||
| 408 | V | 31 | Very low | 30 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | -87.3 | -171.2 | 166.7 | -115.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 409 | P | 43.3 | Very low | 28.8 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | cis | -139 | -169.9 | -1.3 | 28.2 | -1.7 | 0 | 0 | 0 | 116.1 | ||||
| 410 | L | 24.3 | Very low | 28.8 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | 140.3 | 156.8 | 127 | -92 | 157.5 | 0 | 0 | 0 | 118.6 | |||||
| 411 | R | 27.2 | Very low | 28.6 | Very low | 228 Ų | 228 | 142.5 Ų | 142.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -109.4 | 157.4 | -173.6 | -61.5 | 170.3 | 168.6 | 167.6 | -6.2 | 112.4 | ||||
| 412 | K | 26.6 | Very low | 28.3 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | 149.4 | 159.7 | 137 | -84.2 | 162.7 | -177.5 | 179.2 | 0 | 112.4 | ||||
| 413 | S | 25 | Very low | 28.1 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | cis | 177.7 | 142.8 | -43.7 | 52.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 414 | R | 24.5 | Very low | 28.1 | Very low | 244 Ų | 244 | 145.8 Ų | 145.8 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | 67.4 | 173.8 | 157.4 | -106 | -173.8 | 174.1 | -165.8 | -1.6 | 116.6 | ||||
| 415 | P | 36.8 | Very low | 27.9 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -134.1 | -175.3 | -4.8 | 39.3 | -19.4 | 0 | 0 | 0 | 117.6 | ||||
| 416 | V | 24.1 | Very low | 27.9 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -21 | 170.5 | 166.3 | -93.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 417 | S | 24.6 | Very low | 27.7 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 59% | 0.587 | 77% | 0.766 | S | S | * | * | cis | -164.1 | 164.9 | 22.8 | -137.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 418 | M | 27.2 | Very low | 27.1 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 62.4 | 117.5 | 137.6 | -77.4 | 155.2 | 173.3 | 0 | 0 | 125.6 | ||||
| 419 | D | 24.9 | Very low | 26.9 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | 56.3 | 125 | 120.1 | -70.1 | -68.7 | 0 | 0 | 0 | 126.1 | |||||
| 420 | A | 26.1 | Very low | 26 | Very low | 96 Ų | 96 | 151.3 Ų | 151.3 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | 154.5 | 108.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 421 | R | 24.9 | Very low | 26.2 | Very low | 230 Ų | 230 | 147.6 Ų | 147.6 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | cis | 82 | 132.6 | 43.5 | -153.4 | -162.5 | -176.8 | -175.6 | 3.1 | 114.1 | ||||
| 422 | I | 25.6 | Very low | 26.1 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | trans | 110 | 122.7 | 156.8 | -57.5 | -173.7 | 0 | 0 | 0 | 118.5 | ||||
| 423 | Q | 25.3 | Very low | 26.1 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | 58.4 | 137.7 | 158.8 | -70.1 | 150.5 | 4 | 0 | 0 | 120.8 | ||||
| 424 | V | 25.8 | Very low | 26.1 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | cis | 100.4 | 109.6 | 11.7 | -177.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 425 | A | 25.4 | Very low | 26.2 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | trans | -164.7 | 141.7 | 149.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 426 | Q | 25.5 | Very low | 25.7 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | 56.5 | 129.7 | 52.3 | -68.3 | -179.6 | -85.3 | 0 | 0 | 112.9 | |||||
| 427 | E | 25.9 | Very low | 25.9 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 61% | 0.607 | 77% | 0.766 | S | S | * | * | cis | -156 | -167.8 | -2.2 | -123.8 | 170.7 | -111.3 | 0 | 0 | 108.3 | ||||
| 428 | K | 25.9 | Very low | 26.1 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | cis | -154.3 | -163.6 | 15.2 | -149.9 | 169.5 | -175.4 | 76.5 | 0 | 111 | ||||
| 429 | Q | 26.1 | Very low | 26.7 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -115.9 | 154.2 | 173.5 | -51.6 | 159.6 | -53.5 | 0 | 0 | 111.6 | ||||
| 430 | V | 25.1 | Very low | 26.8 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -161.8 | 128.3 | 134.7 | -161.5 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 431 | A | 27.3 | Very low | 27 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | 52 | 146.9 | 75.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 432 | E | 26 | Very low | 27 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | cis | -146.1 | -176.5 | 13.8 | -94.6 | -153.4 | 103.5 | 0 | 0 | 112.7 | ||||
| 433 | Q | 26.8 | Very low | 27.2 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 1 | 151 | 150.5 | -49.8 | 178.5 | 43.1 | 0 | 0 | 119.3 | ||||
| 434 | G | 25.2 | Very low | 27.3 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | cis | 154 | 174.8 | 8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 435 | G | 26.4 | Very low | 27.5 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | 119.4 | 161.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 436 | D | 26.1 | Very low | 27.7 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -146.9 | 171 | -161.6 | -170.4 | 19.9 | 0 | 0 | 0 | 113.2 | ||||
| 437 | L | 28.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 85.5 | 147.7 | 165.4 | -54.4 | 179.2 | 0 | 0 | 0 | 120.7 | ||||
| 438 | S | 28.1 | Very low | 27.7 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -88.8 | 177.9 | -168.9 | -45.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 439 | P | 39 | Very low | 27.8 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -150 | 146.9 | 105.8 | 37.2 | -20.6 | 0 | 0 | 0 | 118.9 | |||||
| 440 | A | 27.3 | Very low | 27.7 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | 32 | 118.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 441 | A | 30 | Very low | 27.7 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | 64.2 | 131.5 | 119.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 442 | N | 26.3 | Very low | 28.5 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | -154.4 | -178.7 | 133.4 | -132 | -44.4 | 0 | 0 | 0 | 114 | ||||
| 443 | R | 29.9 | Very low | 28.5 | Very low | 199 Ų | 199 | 136.1 Ų | 136.1 | 75% | 0.751 | 79% | 0.786 | S | S | * | * | trans | -142.2 | 140.4 | -146 | 175.8 | -163.1 | -169.7 | -151.1 | 12.2 | 116 | ||||
| 444 | S | 26 | Very low | 28.5 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -171.1 | 140 | 153.4 | -84.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 445 | Q | 29.9 | Very low | 28.6 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 64% | 0.64 | 78% | 0.783 | S | S | * | * | cis | 72.2 | 132.8 | 34.5 | -74.1 | -156.1 | 2.1 | 0 | 0 | 115.2 | ||||
| 446 | K | 29.5 | Very low | 28.6 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | cis | -167.4 | -176.2 | -10.2 | -148.9 | -178 | -177.2 | -175.3 | 0 | 110.4 | ||||
| 447 | T | 24.8 | Very low | 28.7 | Very low | 127 Ų | 127 | 134 Ų | 134 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | 82.3 | 156.1 | 162.9 | 76.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 448 | S | 27.3 | Very low | 28.8 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | cis | -174.3 | 163.2 | -47.7 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 449 | Q | 27.7 | Very low | 28.8 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | 72.8 | 149.4 | 163.8 | -65.6 | 171.5 | 1.8 | 0 | 0 | 116.7 | ||||
| 450 | S | 24.9 | Very low | 28.3 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | cis | -156.3 | 159.5 | -9.6 | 42.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 451 | R | 23.9 | Very low | 28.3 | Very low | 236 Ų | 236 | 134.6 Ų | 134.6 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | -74.8 | -177.3 | 165.1 | -100.7 | -177.7 | -178.4 | -175.6 | 0.3 | 110.8 | ||||
| 452 | P | 43.9 | Very low | 28.2 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -152.3 | 178.1 | 27.8 | 46.7 | -26.3 | 0 | 0 | 0 | 120.5 | ||||
| 453 | N | 26.9 | Very low | 28.4 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | 63 | 148.9 | 150 | -63.7 | -4 | 0 | 0 | 0 | 119.6 | ||||
| 454 | S | 27.2 | Very low | 28.5 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | cis | -133.6 | -171 | 12.9 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 455 | S | 26.8 | Very low | 28.6 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | cis | -145.7 | -77.3 | 7.5 | 51 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 456 | A | 27.3 | Very low | 28.5 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | trans | -165.6 | 164.1 | -142.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 457 | L | 28.6 | Very low | 28.5 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | cis | -157.9 | 169.7 | -5.1 | -134.6 | 50.3 | 0 | 0 | 0 | 106.2 | ||||
| 458 | E | 28.5 | Very low | 28.6 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | cis | -133.3 | -131.1 | 4.7 | -173.4 | 39.1 | -71.8 | 0 | 0 | 110.2 | ||||
| 459 | T | 30.1 | Very low | 28.5 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | -153.1 | 140.3 | -158.9 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 460 | L | 27.9 | Very low | 28.5 | Very low | 173 Ų | 173 | 128 Ų | 128 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | 171.4 | 125.1 | 139.6 | -89.9 | 175.1 | 0 | 0 | 0 | 107.9 | ||||
| 461 | G | 27.2 | Very low | 28.6 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | 117.6 | 120.5 | 5.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 462 | G | 28 | Very low | 29.6 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | cis | 166.6 | 165.5 | -9.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 463 | E | 30.8 | Very low | 29.4 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 67.2 | 159.2 | 155.1 | -54.7 | -159.1 | 118.7 | 0 | 0 | 119 | ||||
| 464 | K | 30.3 | Very low | 29.3 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 65% | 0.648 | 76% | 0.756 | S | S | * | * | cis | -152.2 | 160.8 | 3.4 | -136.6 | 152.9 | -170.7 | 146.9 | 0 | 113.6 | ||||
| 465 | L | 28.1 | Very low | 29.2 | Very low | 155 Ų | 155 | 126 Ų | 126 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | -17.2 | 165.7 | 156.9 | -48.2 | 168.6 | 0 | 0 | 0 | 118.5 | ||||
| 466 | A | 28.4 | Very low | 29.1 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | cis | -162.7 | 169.5 | 25.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 467 | N | 29.9 | Very low | 29.3 | Very low | 170 Ų | 170 | 126.6 Ų | 126.6 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | 39 | 141.2 | 144.9 | -71.9 | 0.6 | 0 | 0 | 0 | 123.1 | ||||
| 468 | G | 27.1 | Very low | 29.7 | Very low | 78 Ų | 78 | 125.6 Ų | 125.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 152.1 | 91.5 | 141.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 469 | S | 24.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 122 Ų | 122 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -66.5 | 139.9 | 169.5 | 173.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 470 | L | 28.3 | Very low | 30.4 | Very low | 172 Ų | 172 | 123 Ų | 123 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | -177.1 | 175.9 | 123.1 | -97.6 | 166.8 | 0 | 0 | 0 | 113.5 | |||||
| 471 | E | 26 | Very low | 30.5 | Very low | 180 Ų | 180 | 119.8 Ų | 119.8 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -98.9 | -177.5 | -165.9 | -113.4 | -146.2 | 129.6 | 0 | 0 | 114.8 | ||||
| 472 | P | 45.6 | Very low | 30.8 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | trans | -95.5 | -171.1 | -155.3 | 43.9 | -42.1 | 0 | 0 | 0 | 114.2 | ||||
| 473 | P | 40.5 | Very low | 31 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | -155.8 | 171.6 | 86 | 42.7 | -23.4 | 0 | 0 | 0 | 118.3 | |||||
| 474 | A | 24.1 | Very low | 30.9 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | trans | 60.5 | 124 | 139.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 475 | Q | 25.1 | Very low | 31.1 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | 46.7 | 119.6 | 126.8 | -55.9 | 178.9 | 5.3 | 0 | 0 | 121.2 | |||||
| 476 | A | 25.6 | Very low | 31 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | 167.9 | 150.8 | 103.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 477 | A | 29.7 | Very low | 30.9 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -95.1 | 156.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 478 | P | 37.6 | Very low | 30.9 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | -148.7 | 180 | 73.4 | 41.2 | -22.8 | 0 | 0 | 0 | 115.4 | |||||
| 479 | G | 24.5 | Very low | 31.1 | Very low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | -101 | -147.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 480 | P | 49.8 | Very low | 31.2 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | cis | -135.6 | 167.3 | -21.9 | 40.4 | -26.4 | 0 | 0 | 0 | 113.4 | ||||
| 481 | S | 29.8 | Very low | 31.2 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 169.7 | 131.1 | 132.3 | 59.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 482 | K | 32.6 | Very low | 31.3 | Very low | 173 Ų | 173 | 126.2 Ų | 126.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 60 | 122.2 | 133.6 | -70.7 | 178.8 | -179.4 | 172.5 | 0 | 123 | ||||
| 483 | R | 32.7 | Very low | 30.7 | Very low | 204 Ų | 204 | 126.6 Ų | 126.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 78 | 144.9 | 131 | -69.6 | -168.3 | -172.6 | 176.2 | -1.3 | 119 | ||||
| 484 | D | 29.1 | Very low | 30.1 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | cis | -148.6 | 158.9 | -3.3 | -86.9 | -38.7 | 0 | 0 | 0 | 109.8 | ||||
| 485 | S | 33.6 | Very low | 30.4 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 58.4 | 150.5 | 157.2 | -73.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 486 | D | 27.3 | Very low | 30.7 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | cis | -160.3 | 162.6 | -12 | -118.7 | -49.4 | 0 | 0 | 0 | 112.9 | ||||
| 487 | C | 25.5 | Very low | 30.9 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | 47.6 | 104.5 | 153.5 | -164.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 488 | S | 29.2 | Very low | 30.9 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | 179.2 | 145.6 | 115.7 | -79 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 489 | S | 31.1 | Very low | 30.7 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -110.5 | 146.3 | -173.4 | 54 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 490 | L | 27.4 | Very low | 30.9 | Very low | 176 Ų | 176 | 138 Ų | 138 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -157.5 | 143.3 | 132.3 | -93.6 | -174.3 | 0 | 0 | 0 | 108 | ||||
| 491 | C | 28.9 | Very low | 30 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -87.8 | 138.9 | -166.1 | -58.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 492 | T | 28.1 | Very low | 29.8 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -89.3 | 161.2 | 150.9 | 49.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 493 | S | 32.2 | Very low | 29.6 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -121.6 | 121.9 | 173.3 | 169.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 494 | E | 28.4 | Very low | 29.7 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | 177 | 147.1 | 129.9 | -100.5 | 173.1 | -167.5 | 0 | 0 | 112.6 | |||||
| 495 | S | 31.1 | Very low | 29.8 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | trans | 48.5 | 114.7 | 152.1 | -154.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 496 | M | 30.9 | Very low | 29.7 | Very low | 171 Ų | 171 | 141 Ų | 141 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | -172.9 | 165.7 | 96.4 | -99.8 | -169.8 | 174.3 | 0 | 0 | 113.8 | |||||
| 497 | D | 30.3 | Very low | 30 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 83% | 0.829 | S | S | * | * | trans | -62.1 | 151.3 | -167.3 | -56 | -68.8 | 0 | 0 | 0 | 116.6 | ||||
| 498 | Y | 29.4 | Very low | 30.4 | Very low | 231 Ų | 231 | 142.3 Ų | 142.3 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | trans | -138.8 | 128.8 | 147.5 | -99.2 | -86.1 | 0 | 0 | 0 | 110.6 | ||||
| 499 | G | 31.8 | Very low | 30.3 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | trans | -132.7 | 103 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 500 | T | 30.5 | Very low | 30.4 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 71% | 0.712 | 84% | 0.843 | S | S | * | * | trans | -156.3 | 123.6 | 163.9 | 12 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 501 | N | 29.1 | Very low | 30.6 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | 35.7 | 108.6 | 147.8 | -57.2 | -4.4 | 0 | 0 | 0 | 120 | ||||
| 502 | L | 27.1 | Very low | 30.6 | Very low | 179 Ų | 179 | 152.4 Ų | 152.4 | 94% | 0.937 | 85% | 0.845 | S | S | * | * | trans | -157.5 | 66.1 | 152.9 | -121.3 | 172 | 0 | 0 | 0 | 114.2 | ||||
| 503 | S | 27.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 149 Ų | 149 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | trans | -161.1 | 81.7 | 156.8 | -155.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 504 | A | 35.1 | Very low | 30.6 | Very low | 97 Ų | 97 | 149.5 Ų | 149.5 | 80% | 0.802 | 84% | 0.841 | S | S | * | * | trans | -151.3 | 59 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 505 | D | 30.3 | Very low | 30.6 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | trans | -171 | 89.6 | 162.4 | -107.9 | -23.3 | 0 | 0 | 0 | 111.7 | ||||
| 506 | L | 32.2 | Very low | 30.9 | Very low | 185 Ų | 185 | 149 Ų | 149 | 97% | 0.969 | 85% | 0.845 | S | S | * | * | trans | -161.2 | 49.8 | 154.5 | -89 | -158.7 | 0 | 0 | 0 | 110.5 | ||||
| 507 | S | 33.4 | Very low | 31.1 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -141.9 | 79.7 | 171 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 508 | L | 33.9 | Very low | 31.3 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 85% | 0.853 | 85% | 0.846 | S | S | * | * | trans | -176.3 | 103.8 | 152 | -104.2 | 169.1 | 0 | 0 | 0 | 109.9 | ||||
| 509 | N | 27.8 | Very low | 31.3 | Very low | 176 Ų | 176 | 147 Ų | 147 | 94% | 0.941 | 84% | 0.842 | S | S | * | * | trans | -165.8 | 74.3 | 149.5 | -107.7 | -29.2 | 0 | 0 | 0 | 110.1 | ||||
| 510 | K | 33.6 | Very low | 31.8 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | trans | -103.1 | 91.4 | 172.2 | 177 | -158.9 | 173.1 | -173.8 | 0 | 108.3 | ||||
| 511 | E | 30.8 | Very low | 32.5 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -175.7 | 106 | 147.9 | -111.3 | 171.7 | -136.5 | 0 | 0 | 112.6 | ||||
| 512 | M | 29.2 | Very low | 33.2 | Very low | 194 Ų | 194 | 149.4 Ų | 149.4 | 96% | 0.956 | 83% | 0.831 | S | S | * | * | trans | -172.8 | 134 | 139.8 | -112 | 164.5 | 54.6 | 0 | 0 | 112.3 | ||||
| 513 | G | 26.3 | Very low | 34.1 | Very low | 71 Ų | 71 | 149.3 Ų | 149.3 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | 60.1 | 89 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | L515 | G513-L515 PolarHBondContact O-N 2.87Š| ||
| 514 | S | 34.4 | Very low | 35.1 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -66.6 | 120.3 | 155.9 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 515 | L | 28 | Very low | 35.9 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -136.4 | 100.1 | 165.9 | -75.9 | 178.2 | 0 | 0 | 0 | 109.4 | G513 I517 | G513-L515 PolarHBondContact O-N 2.87Å; L515-I517 PolarHBondContact O-N 3.25Å | ||
| 516 | S | 37.3 | Very low | 37 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -65.6 | 121 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 517 | I | 34.3 | Very low | 37.9 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | trans | -120.9 | 127 | 165.4 | -63.2 | -179.7 | 0 | 0 | 0 | 106.5 | L515 | L515-I517 PolarHBondContact O-N 3.25Š| ||
| 518 | K | 34.7 | Very low | 39 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 85% | 0.852 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 131 | -167.2 | -59 | 179.6 | 179.8 | -176.2 | 0 | 112.2 | ||
| 519 | D | 30.3 | Very low | 40.5 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 145.7 | 170.2 | -73.5 | -60.8 | 0 | 0 | 0 | 112.4 | ||
| 520 | P | 42.8 | Very low | 42 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 144.1 | 165.2 | 32.2 | -32.8 | 0 | 0 | 0 | 110.9 | L522 | P520-L522 PolarHBondContact O-N 3.06Š|
| 521 | K | 43.6 | Very low | 43.6 | Very low | 160 Ų | 160 | 114.2 Ų | 114.2 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | trans | -50.8 | 99.1 | -177.6 | -78.6 | -172.6 | 170.1 | -176.7 | 0 | 113 | D323 H523 | D323-K521 IonicContact OD2-NZ 3.67Å; D323-K521 PolarHBondContact OD2-NZ 3.41Å; K521-H523 PolarHBondContact O-N 2.81Å; K521-H523 PolarHBondContact O-ND1 2.82Å; K521-H523 VanDerWaalsContact O-ND1 3.07Å | ||
| 522 | L | 43.7 | Very low | 45.4 | Very low | 122 Ų | 122 | 110.7 Ų | 110.7 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | trans | -61.9 | 121.6 | 164.4 | -85.7 | 167.9 | 0 | 0 | 0 | 109.5 | P520 K524 | P520-L522 PolarHBondContact O-N 3.06Å; L522-K524 PolarHBondContact O-N 2.8Å | ||
| 523 | H | 46.9 | Very low | 47.2 | Very low | 178 Ų | 178 | 102.3 Ų | 102.3 | 82% | 0.824 | 54% | 0.538 | S | S | * | . | trans | -77.3 | 87.4 | 177.3 | -71.9 | 42.6 | 0 | 0 | 0 | 109.7 | K521 | K521-H523 PolarHBondContact O-N 2.81Å; K521-H523 PolarHBondContact O-ND1 2.82Å; K521-H523 VanDerWaalsContact O-ND1 3.07Å | ||
| 524 | K | 47.8 | Very low | 49.2 | Very low | 133 Ų | 133 | 103.7 Ų | 103.7 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | trans | -78.9 | 120.4 | 176.4 | -66.5 | 172.5 | 174.7 | -175.3 | 0 | 109.4 | L522 I547 | L522-K524 PolarHBondContact O-N 2.8Å; K524-I547 HydrophobicContact CB-CG2 3.99Å; K524-I547 HydrophobicContact CD-CG2 3.79Å; K524-I547 HydrophobicContact CG-CG2 4.15Å | ||
| 525 | K | 52.2 | Low | 50.8 | Low | 95 Ų | 95 | 98.5 Ų | 98.5 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141.6 | 168.5 | -64.7 | -167.1 | 172.7 | -149.5 | 0 | 109 | D320 I548 | D320-K525 VanDerWaalsContact OD1-CD 3.31Å; D320-K525 WeakPolarHBondContact OD1-CD 3.33Å; D320-K525 WeakPolarHBondContact OD1-CE 3.47Å; D320-K525 IonicContact OD1-NZ 2.83Å; D320-K525 PolarHBondContact OD1-NZ 2.88Å; D320-K525 IonicContact OD2-NZ 2.69Å; D320-K525 PolarHBondContact OD2-NZ 3.22Å; K525-I548 WeakPolarHBondContact O-CB 3.36Å; K525-I548 PolarHBondContact O-N 3.44Å |
| 526 | T | 53.6 | Low | 52.5 | Low | 40 Ų | 40 | 96.3 Ų | 96.3 | 25% | 0.245 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.2 | 178.8 | -54.7 | 0 | 0 | 0 | 0 | 109.1 | K528 K546 | T526-K528 HydrophobicContact CG2-CG 4.49Å; T526-K546 WeakPolarHBondContact CA-O 3.3Å |
| 527 | L | 51.6 | Low | 53.5 | Low | 39 Ų | 39 | 94.2 Ų | 94.2 | 20% | 0.204 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.1 | 170.1 | 178.3 | 66.4 | 0 | 0 | 0 | 108 | I318 S545 K546 I548 | I318-L527 HydrophobicContact CG1-CD1 3.76Å; L527-S545 WeakPolarHBondContact O-CA 3.48Å; L527-K546 PolarHBondContact N-O 2.79Å; L527-K546 PolarHBondContact O-N 3.25Å; L527-I548 HydrophobicContact CB-CD1 4Å; L527-I548 HydrophobicContact CB-CG1 4.47Å |
| 528 | K | 57 | Low | 54.8 | Low | 64 Ų | 64 | 91.4 Ų | 91.4 | 28% | 0.278 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 102.7 | 172.4 | -75.3 | 174.9 | 174.6 | 171.8 | 0 | 107.7 | E317 E319 T526 T543 | E317-K528 PolarHBondContact N-O 3.43Å; E317-K528 VanDerWaalsContact N-O 3.1Å; E317-K528 PolarHBondContact O-N 2.78Å; E319-K528 IonicContact OE1-NZ 3.05Å; E319-K528 PolarHBondContact OE1-NZ 3.47Å; E319-K528 WeakPolarHBondContact OE2-CE 3.38Å; E319-K528 IonicContact OE2-NZ 3.73Å; E319-K528 PolarHBondContact OE2-NZ 3.4Å; T526-K528 HydrophobicContact CG2-CG 4.49Å; K528-T543 HydrophobicContact CB-CG2 3.83Å; K528-T543 HydrophobicContact CD-CG2 4.37Å; K528-T543 HydrophobicContact CG-CG2 3.95Å |
| 529 | R | 64.2 | Low | 56.2 | Low | 73 Ų | 73 | 87.7 Ų | 87.7 | 28% | 0.275 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 112.2 | 170.8 | -169.1 | -177.8 | -122.5 | -152.7 | -1.4 | 107.7 | V314 E316 T543 T544 | V314-R529 HydrophobicContact CG1-CG 3.79Å; E316-R529 HydrophobicContact CG-CG 4.02Å; E316-R529 IonicContact OE1-CZ 3.92Å; E316-R529 IonicContact OE1-NE 3.32Å; E316-R529 PolarHBondContact OE1-NE 3.23Å; E316-R529 IonicContact OE1-NH2 2.73Å; E316-R529 PolarHBondContact OE1-NH2 2.97Å; R529-T543 WeakPolarHBondContact O-CA 3.39Å; R529-T544 PolarHBondContact N-O 2.79Å; R529-T544 VanDerWaalsContact N-O 3.11Å; R529-T544 PolarHBondContact O-N 2.8Å; R529-T544 PolarHBondContact O-OG1 3.41Å |
| 530 | T | 59.5 | Low | 57.9 | Low | 27 Ų | 27 | 82.4 Ų | 82.4 | 17% | 0.166 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 109.9 | -176.2 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | M315 T543 | M315-T530 PolarHBondContact N-O 2.88Å; M315-T530 PolarHBondContact O-N 3.33Å; T530-T543 WeakPolarHBondContact CG2-OG1 3.5Å; T530-T543 WeakPolarHBondContact OG1-CG2 3.1Å; T530-T543 PolarHBondContact OG1-OG1 2.91Å |
| 531 | R | 68.3 | Low | 58.8 | Low | 11 Ų | 11 | 80.7 Ų | 80.7 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.2 | 169.8 | -79 | 177.4 | 162.5 | 138.2 | -4.2 | 108.5 | E309 A312 V314 F533 S541 I542 | E309-R531 WeakPolarHBondContact O-CD 2.93Å; E309-R531 PolarHBondContact O-NE 2.93Å; E309-R531 IonicContact OE1-CZ 2.72Å; E309-R531 IonicContact OE1-NH1 3.81Å; E309-R531 PolarHBondContact OE1-NH1 2.88Å; A312-R531 HydrophobicContact CB-CB 3.8Å; A312-R531 HydrophobicContact CB-CG 4.01Å; V314-R531 HydrophobicContact CG2-CG 4.22Å; R531-F533 HydrophobicContact CB-CD1 4.24Å; R531-F533 HydrophobicContact CB-CE1 4.35Å; R531-S541 CarbonylContact O-C 3.55Å; R531-S541 WeakPolarHBondContact O-CA 3.44Å; R531-I542 PolarHBondContact N-O 3.05Å; R531-I542 PolarHBondContact O-N 3.44Å |
| 532 | K | 67.8 | Low | 59.7 | Low | 110 Ų | 110 | 75.9 Ų | 75.9 | 48% | 0.478 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.9 | 172 | -80 | 168.9 | 163.2 | -96.9 | 0 | 108.8 | E539 | K532-E539 IonicContact NZ-OE1 3.86Å; K532-E539 PolarHBondContact NZ-OE1 3Å |
| 533 | F | 67.8 | Low | 60.3 | Low | 17 Ų | 17 | 73 Ų | 73 | 8% | 0.075 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 159.9 | 175.2 | 54.7 | -91.5 | 0 | 0 | 0 | 110.9 | A308 E309 A312 R531 V535 V540 I542 | A308-F533 HydrophobicContact CB-CD2 3.39Å; A308-F533 HydrophobicContact CB-CE2 3.68Å; A308-F533 HydrophobicContact CB-CG 4.1Å; E309-F533 HydrophobicContact CB-CE1 4.1Å; E309-F533 HydrophobicContact CB-CZ 4.28Å; E309-F533 HydrophobicContact CG-CE1 4.37Å; A312-F533 HydrophobicContact CB-CB 3.97Å; A312-F533 HydrophobicContact CB-CD1 3.74Å; A312-F533 HydrophobicContact CB-CG 4.26Å; R531-F533 HydrophobicContact CB-CD1 4.24Å; R531-F533 HydrophobicContact CB-CE1 4.35Å; F533-V535 HydrophobicContact CD2-CG2 3.58Å; F533-V535 HydrophobicContact CE2-CG2 3.53Å; F533-V540 HydrophobicContact CD2-CB 4.42Å; F533-V540 HydrophobicContact CE2-CB 4.19Å; F533-V540 HydrophobicContact CE2-CG1 4.35Å; F533-V540 HydrophobicContact CZ-CG1 4.34Å; F533-V540 PolarHBondContact N-O 3.35Å; F533-V540 PolarHBondContact O-N 3.25Å; F533-I542 HydrophobicContact CE1-CB 4.21Å; F533-I542 HydrophobicContact CE1-CD1 3.99Å; F533-I542 HydrophobicContact CE1-CG1 3.86Å; F533-I542 HydrophobicContact CZ-CD1 3.58Å; F533-I542 HydrophobicContact CZ-CG1 3.78Å |
| 534 | V | 67.8 | Low | 60.5 | Low | 100 Ų | 100 | 67.6 Ų | 67.6 | 61% | 0.606 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.6 | -179.4 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | V538 | V534-V538 WeakPolarHBondContact CA-O 3.24Å |
| 535 | V | 68.8 | Low | 60.5 | Low | 13 Ų | 13 | 65.1 Ų | 65.1 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.6 | 170.9 | -171 | 0 | 0 | 0 | 0 | 108.3 | A308 F533 G537 V538 V540 | A308-V535 HydrophobicContact CB-CG2 4.08Å; F533-V535 HydrophobicContact CD2-CG2 3.58Å; F533-V535 HydrophobicContact CE2-CG2 3.53Å; V535-G537 PolarHBondContact O-N 3.19Å; V535-V538 PolarHBondContact N-O 2.82Å; V535-V538 PolarHBondContact O-N 3.21Å; V535-V540 HydrophobicContact CB-CG2 4.42Å; V535-V540 HydrophobicContact CG2-CG2 4.35Å |
| 536 | D | 63.2 | Low | 60.4 | Low | 113 Ų | 113 | 63.4 Ų | 63.4 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 30.1 | 178.1 | -53.9 | -16.6 | 0 | 0 | 0 | 114.2 | R304 | R304-D536 IonicContact CZ-OD1 2.71Å; R304-D536 IonicContact NH1-OD1 3.57Å; R304-D536 PolarHBondContact NH1-OD1 2.87Å; R304-D536 IonicContact NH1-OD2 3.53Å; R304-D536 PolarHBondContact NH1-OD2 2.87Å |
| 537 | G | 58.1 | Low | 60.4 | Low | 71 Ų | 71 | 66.1 Ų | 66.1 | 73% | 0.732 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -0.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V535 | V535-G537 PolarHBondContact O-N 3.19Š|
| 538 | V | 60.8 | Low | 60.4 | Low | 95 Ų | 95 | 66 Ų | 66 | 58% | 0.576 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.6 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | V534 V535 V540 | V534-V538 WeakPolarHBondContact CA-O 3.24Å; V535-V538 PolarHBondContact N-O 2.82Å; V535-V538 PolarHBondContact O-N 3.21Å; V538-V540 PolarHBondContact O-N 3.12Å |
| 539 | E | 65.1 | Low | 60.2 | Low | 117 Ų | 117 | 65.2 Ų | 65.2 | 55% | 0.547 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 117.1 | 170.9 | -169.3 | -174.3 | 162.7 | 0 | 0 | 109.9 | K532 | K532-E539 IonicContact NZ-OE1 3.86Å; K532-E539 PolarHBondContact NZ-OE1 3Å |
| 540 | V | 65.6 | Low | 59.6 | Low | 44 Ų | 44 | 68.6 Ų | 68.6 | 27% | 0.267 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.8 | 177 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | F533 V535 V538 I542 | F533-V540 HydrophobicContact CD2-CB 4.42Å; F533-V540 HydrophobicContact CE2-CB 4.19Å; F533-V540 HydrophobicContact CE2-CG1 4.35Å; F533-V540 HydrophobicContact CZ-CG1 4.34Å; F533-V540 PolarHBondContact N-O 3.35Å; F533-V540 PolarHBondContact O-N 3.25Å; V535-V540 HydrophobicContact CB-CG2 4.42Å; V535-V540 HydrophobicContact CG2-CG2 4.35Å; V538-V540 PolarHBondContact O-N 3.12Å; V540-I542 HydrophobicContact CG1-CG1 4.04Å |
| 541 | S | 61.5 | Low | 59.3 | Low | 73 Ų | 73 | 72.2 Ų | 72.2 | 51% | 0.51 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 102.5 | 170.6 | 58.2 | 0 | 0 | 0 | 0 | 110 | R531 T543 | R531-S541 CarbonylContact O-C 3.55Å; R531-S541 WeakPolarHBondContact O-CA 3.44Å; S541-T543 PolarHBondContact O-N 3.4Å |
| 542 | I | 62.9 | Low | 58.4 | Low | 58 Ų | 58 | 74.5 Ų | 74.5 | 30% | 0.297 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 103.5 | 168.4 | -60.8 | -167.4 | 0 | 0 | 0 | 108.4 | R531 F533 V540 T544 | R531-I542 PolarHBondContact N-O 3.05Å; R531-I542 PolarHBondContact O-N 3.44Å; F533-I542 HydrophobicContact CE1-CB 4.21Å; F533-I542 HydrophobicContact CE1-CD1 3.99Å; F533-I542 HydrophobicContact CE1-CG1 3.86Å; F533-I542 HydrophobicContact CZ-CD1 3.58Å; F533-I542 HydrophobicContact CZ-CG1 3.78Å; V540-I542 HydrophobicContact CG1-CG1 4.04Å; I542-T544 HydrophobicContact CG2-CG2 3.99Å |
| 543 | T | 55.8 | Low | 57.8 | Low | 63 Ų | 63 | 76 Ų | 76 | 39% | 0.387 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 100.9 | 167.2 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | K528 R529 T530 S541 S545 | K528-T543 HydrophobicContact CB-CG2 3.83Å; K528-T543 HydrophobicContact CD-CG2 4.37Å; K528-T543 HydrophobicContact CG-CG2 3.95Å; R529-T543 WeakPolarHBondContact O-CA 3.39Å; T530-T543 WeakPolarHBondContact CG2-OG1 3.5Å; T530-T543 WeakPolarHBondContact OG1-CG2 3.1Å; T530-T543 PolarHBondContact OG1-OG1 2.91Å; S541-T543 PolarHBondContact O-N 3.4Å; T543-S545 PolarHBondContact O-N 3.47Å |
| 544 | T | 51.8 | Low | 57.3 | Low | 64 Ų | 64 | 79.9 Ų | 79.9 | 39% | 0.393 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 105.5 | 169.3 | 52 | 0 | 0 | 0 | 0 | 108.8 | R529 I542 | R529-T544 PolarHBondContact N-O 2.79Å; R529-T544 VanDerWaalsContact N-O 3.11Å; R529-T544 PolarHBondContact O-N 2.8Å; R529-T544 PolarHBondContact O-OG1 3.41Å; I542-T544 HydrophobicContact CG2-CG2 3.99Å |
| 545 | S | 46.3 | Very low | 56.6 | Low | 80 Ų | 80 | 78.5 Ų | 78.5 | 56% | 0.559 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115.1 | 174.6 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | L527 T543 | L527-S545 WeakPolarHBondContact O-CA 3.48Å; T543-S545 PolarHBondContact O-N 3.47Å |
| 546 | K | 50.7 | Low | 56.1 | Low | 59 Ų | 59 | 80.4 Ų | 80.4 | 26% | 0.257 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.6 | 175.1 | -171.6 | -179.9 | 172.9 | -169 | 0 | 110.9 | T526 L527 I548 E552 E556 | T526-K546 WeakPolarHBondContact CA-O 3.3Å; L527-K546 PolarHBondContact N-O 2.79Å; L527-K546 PolarHBondContact O-N 3.25Å; K546-I548 PolarHBondContact O-N 2.98Å; K546-E552 WeakPolarHBondContact CE-OE1 3.16Å; K546-E552 WeakPolarHBondContact CE-OE2 3.44Å; K546-E552 IonicContact NZ-OE1 3.81Å; K546-E552 IonicContact NZ-OE2 3.86Å; K546-E556 IonicContact NZ-OE1 3.74Å; K546-E556 PolarHBondContact NZ-OE1 3.01Å |
| 547 | I | 54.1 | Low | 56.1 | Low | 98 Ų | 98 | 81.1 Ų | 81.1 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 89.7 | -179.1 | -55.4 | 177.3 | 0 | 0 | 0 | 108.9 | K524 S549 E552 | K524-I547 HydrophobicContact CB-CG2 3.99Å; K524-I547 HydrophobicContact CD-CG2 3.79Å; K524-I547 HydrophobicContact CG-CG2 4.15Å; I547-S549 PolarHBondContact O-N 2.92Å; I547-E552 VanDerWaalsContact O-OE2 3.11Å |
| 548 | I | 52.1 | Low | 56.1 | Low | 37 Ų | 37 | 81.8 Ų | 81.8 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 108.5 | -177.6 | -56.5 | 175.3 | 0 | 0 | 0 | 109.2 | K525 L527 K546 K553 | K525-I548 WeakPolarHBondContact O-CB 3.36Å; K525-I548 PolarHBondContact O-N 3.44Å; L527-I548 HydrophobicContact CB-CD1 4Å; L527-I548 HydrophobicContact CB-CG1 4.47Å; K546-I548 PolarHBondContact O-N 2.98Å; I548-K553 HydrophobicContact CG2-CB 3.98Å |
| 549 | S | 52.7 | Low | 56.3 | Low | 47 Ų | 47 | 82.5 Ų | 82.5 | 33% | 0.329 | 42% | 0.421 | S | S | . | . | trans | -81.5 | 159.5 | 166 | 73.8 | 0 | 0 | 0 | 0 | 111.2 | I547 D551 E552 K553 | I547-S549 PolarHBondContact O-N 2.92Å; S549-D551 PolarHBondContact O-N 2.92Å; S549-D551 VanDerWaalsContact O-N 3.15Å; S549-E552 PolarHBondContact O-N 2.85Å; S549-E552 WeakPolarHBondContact OG-CB 3.33Å; S549-E552 WeakPolarHBondContact OG-CG 3.44Å; S549-E552 PolarHBondContact OG-N 3.48Å; S549-K553 PolarHBondContact O-N 2.85Å | ||
| 550 | E | 51.1 | Low | 56.7 | Low | 144 Ų | 144 | 82.3 Ų | 82.3 | 67% | 0.673 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -13.7 | 179.9 | -153 | 176.6 | -127 | 0 | 0 | 112.9 | K554 | E550-K554 WeakPolarHBondContact O-CE 3.36Å; E550-K554 PolarHBondContact O-NZ 2.85Å |
| 551 | D | 52.8 | Low | 56.8 | Low | 103 Ų | 103 | 82.4 Ų | 82.4 | 55% | 0.551 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -41 | 169.9 | -67.8 | -48.1 | 0 | 0 | 0 | 112.3 | S549 K553 K554 D555 | S549-D551 PolarHBondContact O-N 2.92Å; S549-D551 VanDerWaalsContact O-N 3.15Å; D551-K553 PolarHBondContact O-N 3.18Å; D551-K554 WeakPolarHBondContact O-CA 3.28Å; D551-K554 WeakPolarHBondContact O-CB 3.43Å; D551-K554 PolarHBondContact O-N 3.19Å; D551-K554 IonicContact OD1-NZ 3Å; D551-K554 PolarHBondContact OD1-NZ 2.98Å; D551-D555 PolarHBondContact O-N 3.39Å; D551-D555 VanDerWaalsContact O-N 3.17Å |
| 552 | E | 49.9 | Very low | 57 | Low | 58 Ų | 58 | 85.2 Ų | 85.2 | 27% | 0.271 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.3 | -34.8 | 172.3 | -83.3 | -161.6 | 141.6 | 0 | 0 | 112.4 | K546 I547 S549 K554 D555 E556 | K546-E552 WeakPolarHBondContact CE-OE1 3.16Å; K546-E552 WeakPolarHBondContact CE-OE2 3.44Å; K546-E552 IonicContact NZ-OE1 3.81Å; K546-E552 IonicContact NZ-OE2 3.86Å; I547-E552 VanDerWaalsContact O-OE2 3.11Å; S549-E552 PolarHBondContact O-N 2.85Å; S549-E552 WeakPolarHBondContact OG-CB 3.33Å; S549-E552 WeakPolarHBondContact OG-CG 3.44Å; S549-E552 PolarHBondContact OG-N 3.48Å; E552-K554 PolarHBondContact O-N 3.44Å; E552-D555 CarbonylContact O-C 3.58Å; E552-D555 PolarHBondContact O-N 2.96Å; E552-D555 VanDerWaalsContact O-N 3.16Å; E552-E556 WeakPolarHBondContact O-CB 3.34Å; E552-E556 PolarHBondContact O-N 3.38Å |
| 553 | K | 55.4 | Low | 57.3 | Low | 142 Ų | 142 | 86.3 Ų | 86.3 | 62% | 0.617 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.3 | -33.5 | 176 | -166.9 | 178.4 | -179.6 | -174.8 | 0 | 112.5 | I548 S549 D551 E556 E557 | I548-K553 HydrophobicContact CG2-CB 3.98Å; S549-K553 PolarHBondContact O-N 2.85Å; D551-K553 PolarHBondContact O-N 3.18Å; K553-E556 PolarHBondContact O-N 3.04Å; K553-E557 WeakPolarHBondContact O-CB 3.04Å; K553-E557 PolarHBondContact O-N 3.37Å |
| 554 | K | 56.2 | Low | 58.1 | Low | 98 Ų | 98 | 86.6 Ų | 86.6 | 43% | 0.426 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73.1 | -37.7 | 175.8 | -58.1 | 164 | -167.1 | 141.8 | 0 | 110.4 | E550 D551 E552 E556 E557 M558 | E550-K554 WeakPolarHBondContact O-CE 3.36Å; E550-K554 PolarHBondContact O-NZ 2.85Å; D551-K554 WeakPolarHBondContact O-CA 3.28Å; D551-K554 WeakPolarHBondContact O-CB 3.43Å; D551-K554 PolarHBondContact O-N 3.19Å; D551-K554 IonicContact OD1-NZ 3Å; D551-K554 PolarHBondContact OD1-NZ 2.98Å; E552-K554 PolarHBondContact O-N 3.44Å; K554-E556 VanDerWaalsContact C-N 3.33Å; K554-E557 PolarHBondContact O-N 2.86Å; K554-M558 WeakPolarHBondContact O-CB 3.26Å; K554-M558 WeakPolarHBondContact O-CG 3.35Å; K554-M558 PolarHBondContact O-N 2.77Å |
| 555 | D | 54.1 | Low | 59.2 | Low | 72 Ų | 72 | 84.1 Ų | 84.1 | 39% | 0.385 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.8 | -26.9 | 174.1 | -66 | -21.6 | 0 | 0 | 0 | 112.8 | D551 E552 M558 R559 | D551-D555 PolarHBondContact O-N 3.39Å; D551-D555 VanDerWaalsContact O-N 3.17Å; E552-D555 CarbonylContact O-C 3.58Å; E552-D555 PolarHBondContact O-N 2.96Å; E552-D555 VanDerWaalsContact O-N 3.16Å; D555-M558 VanDerWaalsContact OD1-CE 3.25Å; D555-M558 WeakPolarHBondContact OD1-CE 3.35Å; D555-R559 VanDerWaalsContact O-CB 3.26Å; D555-R559 WeakPolarHBondContact O-CB 3.41Å; D555-R559 VanDerWaalsContact O-CG 3.29Å; D555-R559 WeakPolarHBondContact O-CG 3.36Å; D555-R559 PolarHBondContact O-N 2.67Å; D555-R559 PolarHBondContact O-NE 3.4Å |
| 556 | E | 57.8 | Low | 60.3 | Low | 52 Ų | 52 | 84.1 Ų | 84.1 | 24% | 0.243 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73.7 | -40.8 | 169.7 | -99.6 | 169.9 | -168.7 | 0 | 0 | 112 | K546 E552 K553 K554 R559 F560 | K546-E556 IonicContact NZ-OE1 3.74Å; K546-E556 PolarHBondContact NZ-OE1 3.01Å; E552-E556 WeakPolarHBondContact O-CB 3.34Å; E552-E556 PolarHBondContact O-N 3.38Å; K553-E556 PolarHBondContact O-N 3.04Å; K554-E556 VanDerWaalsContact C-N 3.33Å; E556-R559 PolarHBondContact O-N 3.22Å; E556-F560 VanDerWaalsContact O-CB 3.29Å; E556-F560 WeakPolarHBondContact O-CB 3.23Å; E556-F560 PolarHBondContact O-N 2.73Å |
| 557 | E | 64.5 | Low | 61.4 | Low | 128 Ų | 128 | 87.9 Ų | 87.9 | 60% | 0.598 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 173.1 | -172.9 | 169.5 | -155.5 | 0 | 0 | 111.2 | K553 K554 F560 L561 | K553-E557 WeakPolarHBondContact O-CB 3.04Å; K553-E557 PolarHBondContact O-N 3.37Å; K554-E557 PolarHBondContact O-N 2.86Å; E557-F560 PolarHBondContact O-N 3.32Å; E557-L561 HydrophobicContact CG-CD1 4.34Å; E557-L561 WeakPolarHBondContact O-CB 3.49Å; E557-L561 VanDerWaalsContact O-CG 3.3Å; E557-L561 WeakPolarHBondContact O-CG 3.46Å; E557-L561 PolarHBondContact O-N 3.29Å |
| 558 | M | 57.8 | Low | 62.5 | Low | 86 Ų | 86 | 85.5 Ų | 85.5 | 42% | 0.424 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 171.3 | -74.2 | -163.2 | -64.2 | 0 | 0 | 112.5 | K554 D555 L561 R562 | K554-M558 WeakPolarHBondContact O-CB 3.26Å; K554-M558 WeakPolarHBondContact O-CG 3.35Å; K554-M558 PolarHBondContact O-N 2.77Å; D555-M558 VanDerWaalsContact OD1-CE 3.25Å; D555-M558 WeakPolarHBondContact OD1-CE 3.35Å; M558-L561 PolarHBondContact O-N 3.17Å; M558-R562 WeakPolarHBondContact O-CB 3.23Å; M558-R562 PolarHBondContact O-N 2.93Å |
| 559 | R | 63.6 | Low | 63.5 | Low | 110 Ų | 110 | 87 Ų | 87 | 42% | 0.415 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 174.6 | -83.7 | 176.4 | -85.8 | -160.4 | -9.9 | 112.6 | D555 E556 R562 R563 | D555-R559 VanDerWaalsContact O-CB 3.26Å; D555-R559 WeakPolarHBondContact O-CB 3.41Å; D555-R559 VanDerWaalsContact O-CG 3.29Å; D555-R559 WeakPolarHBondContact O-CG 3.36Å; D555-R559 PolarHBondContact O-N 2.67Å; D555-R559 PolarHBondContact O-NE 3.4Å; E556-R559 PolarHBondContact O-N 3.22Å; R559-R562 PolarHBondContact O-N 3.22Å; R559-R563 WeakPolarHBondContact O-CB 3.45Å; R559-R563 VanDerWaalsContact O-CG 3.32Å; R559-R563 WeakPolarHBondContact O-CG 3.41Å; R559-R563 PolarHBondContact O-N 3.28Å |
| 560 | F | 73.8 | Confident | 64.7 | Low | 112 Ų | 112 | 92 Ų | 92 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 174 | 178.7 | -88.4 | 0 | 0 | 0 | 111 | E556 E557 R562 R563 Q564 | E556-F560 VanDerWaalsContact O-CB 3.29Å; E556-F560 WeakPolarHBondContact O-CB 3.23Å; E556-F560 PolarHBondContact O-N 2.73Å; E557-F560 PolarHBondContact O-N 3.32Å; F560-R562 VanDerWaalsContact C-N 3.33Å; F560-R562 PolarHBondContact O-N 3.46Å; F560-R563 CarbonylContact O-C 3.53Å; F560-R563 PolarHBondContact O-N 2.79Å; F560-Q564 PolarHBondContact O-N 2.75Å |
| 561 | L | 67.1 | Low | 66 | Low | 47 Ų | 47 | 91 Ų | 91 | 25% | 0.246 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.9 | -43 | 174.6 | -73.3 | 165 | 0 | 0 | 0 | 111.2 | E557 M558 R563 Q564 E565 | E557-L561 HydrophobicContact CG-CD1 4.34Å; E557-L561 WeakPolarHBondContact O-CB 3.49Å; E557-L561 VanDerWaalsContact O-CG 3.3Å; E557-L561 WeakPolarHBondContact O-CG 3.46Å; E557-L561 PolarHBondContact O-N 3.29Å; M558-L561 PolarHBondContact O-N 3.17Å; L561-R563 PolarHBondContact O-N 2.94Å; L561-Q564 WeakPolarHBondContact O-CA 3.47Å; L561-Q564 WeakPolarHBondContact O-CB 3.47Å; L561-Q564 PolarHBondContact O-N 3.3Å; L561-Q564 VanDerWaalsContact O-N 3.07Å; L561-E565 WeakPolarHBondContact O-CG 3.34Å; L561-E565 PolarHBondContact O-N 3.49Å |
| 562 | R | 66.2 | Low | 67.3 | Low | 131 Ų | 131 | 87.1 Ų | 87.1 | 49% | 0.494 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 176.9 | -168.2 | 55.9 | 171.1 | 176.5 | 0.9 | 112.8 | M558 R559 F560 Q564 E565 L566 | M558-R562 WeakPolarHBondContact O-CB 3.23Å; M558-R562 PolarHBondContact O-N 2.93Å; R559-R562 PolarHBondContact O-N 3.22Å; F560-R562 VanDerWaalsContact C-N 3.33Å; F560-R562 PolarHBondContact O-N 3.46Å; R562-Q564 VanDerWaalsContact C-N 3.25Å; R562-Q564 PolarHBondContact O-N 3.49Å; R562-E565 WeakPolarHBondContact CD-OE2 3.26Å; R562-E565 IonicContact CZ-OE2 2.73Å; R562-E565 IonicContact NE-OE2 2.78Å; R562-E565 IonicContact NH1-OE2 2.68Å; R562-E565 PolarHBondContact NH1-OE2 3.34Å; R562-E565 PolarHBondContact O-N 3.39Å; R562-L566 HydrophobicContact CG-CD1 4.37Å; R562-L566 WeakPolarHBondContact O-CB 3.43Å; R562-L566 WeakPolarHBondContact O-CG 3.47Å; R562-L566 PolarHBondContact O-N 2.85Å |
| 563 | R | 69.3 | Low | 68.6 | Low | 81 Ų | 81 | 90.1 Ų | 90.1 | 31% | 0.306 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.7 | -21.3 | 171.3 | -73.6 | -175.5 | -67.6 | -119.5 | 8.6 | 112.9 | D126 R559 F560 L561 R567 | D126-R563 IonicContact OD1-CZ 2.85Å; D126-R563 IonicContact OD1-NH1 2.63Å; D126-R563 PolarHBondContact OD1-NH1 3.16Å; D126-R563 IonicContact OD2-CZ 3.36Å; D126-R563 IonicContact OD2-NH1 3.92Å; D126-R563 PolarHBondContact OD2-NH1 2.87Å; R559-R563 WeakPolarHBondContact O-CB 3.45Å; R559-R563 VanDerWaalsContact O-CG 3.32Å; R559-R563 WeakPolarHBondContact O-CG 3.41Å; R559-R563 PolarHBondContact O-N 3.28Å; F560-R563 CarbonylContact O-C 3.53Å; F560-R563 PolarHBondContact O-N 2.79Å; L561-R563 PolarHBondContact O-N 2.94Å; R563-R567 WeakPolarHBondContact O-CG 3.45Å; R563-R567 PolarHBondContact O-N 3.23Å; R563-R567 PolarHBondContact O-NE 2.74Å |
| 564 | Q | 73.8 | Confident | 69.9 | Low | 70 Ų | 70 | 91 Ų | 91 | 33% | 0.327 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -77.4 | -50.6 | 168.8 | -175.8 | -178.4 | -21.3 | 0 | 0 | 110.6 | F560 L561 R562 L566 R567 E568 | F560-Q564 PolarHBondContact O-N 2.75Å; L561-Q564 WeakPolarHBondContact O-CA 3.47Å; L561-Q564 WeakPolarHBondContact O-CB 3.47Å; L561-Q564 PolarHBondContact O-N 3.3Å; L561-Q564 VanDerWaalsContact O-N 3.07Å; R562-Q564 VanDerWaalsContact C-N 3.25Å; R562-Q564 PolarHBondContact O-N 3.49Å; Q564-L566 VanDerWaalsContact C-N 3.29Å; Q564-L566 PolarHBondContact O-N 2.84Å; Q564-R567 PolarHBondContact O-N 2.97Å; Q564-E568 WeakPolarHBondContact CG-OE1 3.35Å; Q564-E568 PolarHBondContact NE2-OE1 2.89Å; Q564-E568 PolarHBondContact O-N 3.15Å |
| 565 | E | 74.1 | Confident | 71.3 | Confident | 12 Ų | 12 | 89.9 Ų | 89.9 | 6% | 0.056 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -51.8 | -45.1 | 175 | -67.9 | 166 | -169.9 | 0 | 0 | 111.5 | L561 R562 E568 L569 Q783 R790 | L561-E565 WeakPolarHBondContact O-CG 3.34Å; L561-E565 PolarHBondContact O-N 3.49Å; R562-E565 WeakPolarHBondContact CD-OE2 3.26Å; R562-E565 IonicContact CZ-OE2 2.73Å; R562-E565 IonicContact NE-OE2 2.78Å; R562-E565 IonicContact NH1-OE2 2.68Å; R562-E565 PolarHBondContact NH1-OE2 3.34Å; R562-E565 PolarHBondContact O-N 3.39Å; E565-E568 PolarHBondContact O-N 3.19Å; E565-L569 WeakPolarHBondContact O-CG 3.19Å; E565-L569 PolarHBondContact O-N 2.99Å; E565-Q783 HydrophobicContact CG-CG 4.19Å; E565-R790 IonicContact OE1-CZ 3.83Å; E565-R790 IonicContact OE1-NH1 3.65Å; E565-R790 IonicContact OE1-NH2 2.78Å; E565-R790 PolarHBondContact OE1-NH2 2.93Å |
| 566 | L | 69.3 | Low | 72.7 | Confident | 79 Ų | 79 | 88.9 Ų | 88.9 | 41% | 0.414 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.2 | -32.8 | 176.3 | -73.3 | 168 | 0 | 0 | 0 | 113.9 | R562 Q564 R570 | R562-L566 HydrophobicContact CG-CD1 4.37Å; R562-L566 WeakPolarHBondContact O-CB 3.43Å; R562-L566 WeakPolarHBondContact O-CG 3.47Å; R562-L566 PolarHBondContact O-N 2.85Å; Q564-L566 VanDerWaalsContact C-N 3.29Å; Q564-L566 PolarHBondContact O-N 2.84Å; L566-R570 WeakPolarHBondContact O-CG 3.36Å; L566-R570 PolarHBondContact O-N 3.49Å |
| 567 | R | 74.9 | Confident | 73.9 | Confident | 139 Ų | 139 | 90.7 Ų | 90.7 | 53% | 0.525 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.5 | -38 | 175.1 | -80.3 | -179.7 | -75 | -170.7 | 2 | 111.7 | R563 Q564 L569 R570 L571 | R563-R567 WeakPolarHBondContact O-CG 3.45Å; R563-R567 PolarHBondContact O-N 3.23Å; R563-R567 PolarHBondContact O-NE 2.74Å; Q564-R567 PolarHBondContact O-N 2.97Å; R567-L569 VanDerWaalsContact C-N 3.32Å; R567-L569 PolarHBondContact O-N 3.31Å; R567-R570 PolarHBondContact O-N 3.01Å; R567-L571 WeakPolarHBondContact O-CG 3.24Å; R567-L571 PolarHBondContact O-N 3.19Å |
| 568 | E | 77.1 | Confident | 75 | Confident | 47 Ų | 47 | 92.4 Ų | 92.4 | 22% | 0.22 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 170.8 | -70.9 | 174.8 | -157.9 | 0 | 0 | 110.6 | Q564 E565 L572 R786 | Q564-E568 WeakPolarHBondContact CG-OE1 3.35Å; Q564-E568 PolarHBondContact NE2-OE1 2.89Å; Q564-E568 PolarHBondContact O-N 3.15Å; E565-E568 PolarHBondContact O-N 3.19Å; E568-L572 PolarHBondContact O-N 2.91Å; E568-L572 VanDerWaalsContact O-N 3.14Å; E568-R786 IonicContact OE1-NH1 3.66Å; E568-R786 PolarHBondContact OE1-NH1 2.72Å; E568-R786 IonicContact OE1-NH2 3.6Å; E568-R786 IonicContact OE2-CZ 2.6Å; E568-R786 IonicContact OE2-NH1 2.69Å; E568-R786 PolarHBondContact OE2-NH1 3.43Å; E568-R786 IonicContact OE2-NH2 2.67Å; E568-R786 PolarHBondContact OE2-NH2 2.72Å |
| 569 | L | 73.2 | Confident | 76.6 | Confident | 70 Ų | 70 | 90.1 Ų | 90.1 | 37% | 0.366 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 176.1 | -72.1 | 168.8 | 0 | 0 | 0 | 113.6 | E565 R567 L571 L572 Q573 | E565-L569 WeakPolarHBondContact O-CG 3.19Å; E565-L569 PolarHBondContact O-N 2.99Å; R567-L569 VanDerWaalsContact C-N 3.32Å; R567-L569 PolarHBondContact O-N 3.31Å; L569-L571 VanDerWaalsContact C-N 3.3Å; L569-L571 PolarHBondContact O-N 3.38Å; L569-L572 PolarHBondContact O-N 2.79Å; L569-L572 VanDerWaalsContact O-N 3.15Å; L569-Q573 PolarHBondContact O-N 2.73Å |
| 570 | R | 75.9 | Confident | 77.7 | Confident | 150 Ų | 150 | 89.6 Ų | 89.6 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.3 | -36.8 | 178 | -75.7 | 178.3 | 178.8 | -177.8 | -0 | 112.6 | L566 R567 K574 | L566-R570 WeakPolarHBondContact O-CG 3.36Å; L566-R570 PolarHBondContact O-N 3.49Å; R567-R570 PolarHBondContact O-N 3.01Å; R570-K574 PolarHBondContact O-N 3.17Å; R570-K574 VanDerWaalsContact O-N 3.14Å |
| 571 | L | 79.6 | Confident | 78.3 | Confident | 123 Ų | 123 | 87 Ų | 87 | 64% | 0.644 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 174.2 | -73.3 | 171 | 0 | 0 | 0 | 111.7 | R567 L569 K574 E575 | R567-L571 WeakPolarHBondContact O-CG 3.24Å; R567-L571 PolarHBondContact O-N 3.19Å; L569-L571 VanDerWaalsContact C-N 3.3Å; L569-L571 PolarHBondContact O-N 3.38Å; L571-K574 PolarHBondContact O-N 2.82Å; L571-E575 PolarHBondContact O-N 3.49Å |
| 572 | L | 79.4 | Confident | 79.6 | Confident | 23 Ų | 23 | 89.8 Ų | 89.8 | 12% | 0.12 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 179.2 | -165.2 | 149.9 | 0 | 0 | 0 | 112 | E568 L569 K574 E575 E576 K776 K779 | E568-L572 PolarHBondContact O-N 2.91Å; E568-L572 VanDerWaalsContact O-N 3.14Å; L569-L572 PolarHBondContact O-N 2.79Å; L569-L572 VanDerWaalsContact O-N 3.15Å; L572-K574 VanDerWaalsContact C-N 3.34Å; L572-K574 PolarHBondContact O-N 3.17Å; L572-E575 PolarHBondContact O-N 3.13Å; L572-E576 WeakPolarHBondContact O-CB 3.48Å; L572-E576 PolarHBondContact O-N 2.94Å; L572-K776 HydrophobicContact CD2-CD 4.31Å; L572-K776 HydrophobicContact CD2-CG 3.64Å; L572-K779 HydrophobicContact CD1-CG 4.23Å |
| 573 | Q | 78.3 | Confident | 80.9 | Confident | 121 Ų | 121 | 84.9 Ų | 84.9 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.7 | -39.3 | 171.5 | -71.9 | 177.3 | -54.2 | 0 | 0 | 112.6 | L569 E575 E576 H577 | L569-Q573 PolarHBondContact O-N 2.73Å; Q573-E575 VanDerWaalsContact C-N 3.32Å; Q573-E576 PolarHBondContact O-N 2.92Å; Q573-H577 WeakPolarHBondContact O-CB 3.41Å; Q573-H577 PolarHBondContact O-N 3.25Å |
| 574 | K | 82.2 | Confident | 81.9 | Confident | 160 Ų | 160 | 84.2 Ų | 84.2 | 70% | 0.696 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.8 | -31.4 | 177 | -173.4 | 166.7 | -176 | 166 | 0 | 112.5 | R570 L571 L572 R578 | R570-K574 PolarHBondContact O-N 3.17Å; R570-K574 VanDerWaalsContact O-N 3.14Å; L571-K574 PolarHBondContact O-N 2.82Å; L572-K574 VanDerWaalsContact C-N 3.34Å; L572-K574 PolarHBondContact O-N 3.17Å; K574-R578 WeakPolarHBondContact O-CB 3.46Å; K574-R578 PolarHBondContact O-N 2.81Å |
| 575 | E | 84.8 | Confident | 82.8 | Confident | 74 Ų | 74 | 85.2 Ų | 85.2 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.5 | -45.1 | 173.3 | -163.4 | -179.6 | 167.6 | 0 | 0 | 111.7 | L571 L572 Q573 R578 N579 R775 | L571-E575 PolarHBondContact O-N 3.49Å; L572-E575 PolarHBondContact O-N 3.13Å; Q573-E575 VanDerWaalsContact C-N 3.32Å; E575-R578 WeakPolarHBondContact O-CB 3.26Å; E575-R578 PolarHBondContact O-N 3.2Å; E575-N579 PolarHBondContact O-N 3.37Å; E575-N579 PolarHBondContact O-ND2 3.33Å; E575-N579 PolarHBondContact O-OD1 2.68Å; E575-R775 VanDerWaalsContact CD-NH2 3.31Å; E575-R775 IonicContact OE1-CZ 3.85Å; E575-R775 IonicContact OE1-NH1 2.6Å; E575-R775 PolarHBondContact OE1-NH1 3.36Å; E575-R775 IonicContact OE1-NH2 2.75Å; E575-R775 PolarHBondContact OE1-NH2 3.37Å; E575-R775 IonicContact OE2-CZ 3.49Å; E575-R775 IonicContact OE2-NH1 2.63Å; E575-R775 IonicContact OE2-NH2 2.7Å; E575-R775 PolarHBondContact OE2-NH2 3.08Å |
| 576 | E | 83.8 | Confident | 83.9 | Confident | 51 Ų | 51 | 89 Ų | 89 | 24% | 0.238 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -54.4 | -52.6 | 172.9 | 168.8 | 173.5 | -151.3 | 0 | 0 | 111.9 | L572 Q573 R578 N579 Q580 E772 K776 | L572-E576 WeakPolarHBondContact O-CB 3.48Å; L572-E576 PolarHBondContact O-N 2.94Å; Q573-E576 PolarHBondContact O-N 2.92Å; E576-R578 VanDerWaalsContact C-N 3.32Å; E576-R578 PolarHBondContact O-N 2.83Å; E576-N579 PolarHBondContact O-N 3.14Å; E576-Q580 WeakPolarHBondContact O-CB 3.4Å; E576-Q580 PolarHBondContact O-N 3.37Å; E576-E772 WeakPolarHBondContact CA-OE1 3.5Å; E576-K776 IonicContact OE1-NZ 3.81Å; E576-K776 PolarHBondContact OE1-NZ 2.82Å; E576-K776 WeakPolarHBondContact OE2-CE 3.35Å; E576-K776 IonicContact OE2-NZ 2.81Å; E576-K776 PolarHBondContact OE2-NZ 2.67Å |
| 577 | H | 82.9 | Confident | 85.1 | Confident | 90 Ų | 90 | 86.4 Ų | 86.4 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 176.8 | -176.4 | 62.9 | 0 | 0 | 0 | 112.1 | Q573 N579 Q580 T581 | Q573-H577 WeakPolarHBondContact O-CB 3.41Å; Q573-H577 PolarHBondContact O-N 3.25Å; H577-N579 PolarHBondContact O-N 3.2Å; H577-Q580 PolarHBondContact O-N 3.21Å; H577-T581 PolarHBondContact O-N 3.42Å; H577-T581 PolarHBondContact O-OG1 2.97Å |
| 578 | R | 89 | Confident | 86 | Confident | 164 Ų | 164 | 86.1 Ų | 86.1 | 62% | 0.619 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 177 | -179.6 | -175.2 | -179.7 | -179.1 | 3.4 | 112.2 | K574 E575 E576 Q580 T581 Q582 | K574-R578 WeakPolarHBondContact O-CB 3.46Å; K574-R578 PolarHBondContact O-N 2.81Å; E575-R578 WeakPolarHBondContact O-CB 3.26Å; E575-R578 PolarHBondContact O-N 3.2Å; E576-R578 VanDerWaalsContact C-N 3.32Å; E576-R578 PolarHBondContact O-N 2.83Å; R578-Q580 VanDerWaalsContact C-N 3.34Å; R578-T581 PolarHBondContact O-N 3.19Å; R578-Q582 WeakPolarHBondContact O-CG 3.43Å; R578-Q582 PolarHBondContact O-N 3.38Å |
| 579 | N | 89.6 | Confident | 86.9 | Confident | 38 Ų | 38 | 88.3 Ų | 88.3 | 20% | 0.203 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 178.9 | -63 | -25 | 0 | 0 | 0 | 110.8 | E575 E576 H577 Q582 L583 L768 | E575-N579 PolarHBondContact O-N 3.37Å; E575-N579 PolarHBondContact O-ND2 3.33Å; E575-N579 PolarHBondContact O-OD1 2.68Å; E576-N579 PolarHBondContact O-N 3.14Å; H577-N579 PolarHBondContact O-N 3.2Å; N579-Q582 PolarHBondContact O-N 3.05Å; N579-L583 WeakPolarHBondContact O-CB 3.38Å; N579-L583 PolarHBondContact O-N 2.73Å; N579-L768 HydrophobicContact CB-CD1 3.88Å; N579-L768 HydrophobicContact CB-CD2 4.03Å |
| 580 | Q | 86.7 | Confident | 87.9 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 176.7 | -169.1 | 178.5 | 44.9 | 0 | 0 | 112 | E576 H577 R578 L583 S584 | E576-Q580 WeakPolarHBondContact O-CB 3.4Å; E576-Q580 PolarHBondContact O-N 3.37Å; H577-Q580 PolarHBondContact O-N 3.21Å; R578-Q580 VanDerWaalsContact C-N 3.34Å; Q580-L583 PolarHBondContact O-N 3.11Å; Q580-S584 WeakPolarHBondContact O-CB 3.23Å; Q580-S584 PolarHBondContact O-N 3.21Å |
| 581 | T | 87.9 | Confident | 88.7 | Confident | 57 Ų | 57 | 83 Ų | 83 | 35% | 0.35 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 173.2 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | H577 R578 L583 S584 N585 | H577-T581 PolarHBondContact O-N 3.42Å; H577-T581 PolarHBondContact O-OG1 2.97Å; R578-T581 PolarHBondContact O-N 3.19Å; T581-L583 VanDerWaalsContact C-N 3.28Å; T581-L583 PolarHBondContact O-N 3.21Å; T581-S584 WeakPolarHBondContact O-CB 3.29Å; T581-S584 PolarHBondContact O-N 2.94Å; T581-N585 VanDerWaalsContact O-CG 3.25Å; T581-N585 PolarHBondContact O-N 3.27Å; T581-N585 PolarHBondContact O-OD1 3.2Å |
| 582 | Q | 93.4 | Very high | 89.4 | Confident | 107 Ų | 107 | 81.5 Ų | 81.5 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 178.3 | -74.5 | -178.9 | -10.7 | 0 | 0 | 112.3 | R578 N579 K586 | R578-Q582 WeakPolarHBondContact O-CG 3.43Å; R578-Q582 PolarHBondContact O-N 3.38Å; N579-Q582 PolarHBondContact O-N 3.05Å; Q582-K586 PolarHBondContact O-N 2.78Å; Q582-K586 VanDerWaalsContact O-N 3.13Å |
| 583 | L | 94 | Very high | 90.2 | Very high | 27 Ų | 27 | 85.8 Ų | 85.8 | 14% | 0.141 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70 | -40.3 | 176.4 | -172.5 | 60.6 | 0 | 0 | 0 | 112.4 | N579 Q580 T581 K586 H587 D764 L768 | N579-L583 WeakPolarHBondContact O-CB 3.38Å; N579-L583 PolarHBondContact O-N 2.73Å; Q580-L583 PolarHBondContact O-N 3.11Å; T581-L583 VanDerWaalsContact C-N 3.28Å; T581-L583 PolarHBondContact O-N 3.21Å; L583-K586 HydrophobicContact CD1-CD 4.01Å; L583-K586 WeakPolarHBondContact O-CB 3.38Å; L583-K586 PolarHBondContact O-N 2.88Å; L583-H587 VanDerWaalsContact CD1-NE2 3.34Å; L583-H587 WeakPolarHBondContact CD1-NE2 3.34Å; L583-H587 PolarHBondContact O-CD2 2.8Å; L583-H587 VanDerWaalsContact O-CG 3.27Å; L583-H587 PolarHBondContact O-N 3.16Å; L583-D764 HydrophobicContact CD1-CB 4.08Å; L583-D764 HydrophobicContact CD2-CB 4.46Å; L583-L768 HydrophobicContact CB-CD2 4.3Å; L583-L768 HydrophobicContact CD2-CB 4.1Å; L583-L768 HydrophobicContact CD2-CD2 3.79Å |
| 584 | S | 90.1 | Very high | 91 | Very high | 68 Ų | 68 | 80.5 Ų | 80.5 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.9 | -50.3 | 174.1 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | Q580 T581 K586 H587 E588 | Q580-S584 WeakPolarHBondContact O-CB 3.23Å; Q580-S584 PolarHBondContact O-N 3.21Å; T581-S584 WeakPolarHBondContact O-CB 3.29Å; T581-S584 PolarHBondContact O-N 2.94Å; S584-K586 VanDerWaalsContact C-N 3.29Å; S584-K586 PolarHBondContact O-N 2.74Å; S584-H587 WeakPolarHBondContact O-CB 3.43Å; S584-H587 PolarHBondContact O-N 3.19Å; S584-E588 PolarHBondContact O-N 3.19Å |
| 585 | N | 93.2 | Very high | 91.6 | Very high | 91 Ų | 91 | 77.1 Ų | 77.1 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.8 | -34.6 | -179.3 | -62.1 | 12.3 | 0 | 0 | 0 | 111.8 | T581 L589 | T581-N585 VanDerWaalsContact O-CG 3.25Å; T581-N585 PolarHBondContact O-N 3.27Å; T581-N585 PolarHBondContact O-OD1 3.2Å; N585-L589 WeakPolarHBondContact O-CB 3.28Å; N585-L589 PolarHBondContact O-N 3.21Å; N585-L589 VanDerWaalsContact O-N 3.1Å |
| 586 | K | 96 | Very high | 92.1 | Very high | 91 Ų | 91 | 78.2 Ų | 78.2 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 171.6 | 178 | -160.3 | 174.1 | -167.6 | 0 | 111.4 | Q582 L583 S584 Q590 D764 | Q582-K586 PolarHBondContact O-N 2.78Å; Q582-K586 VanDerWaalsContact O-N 3.13Å; L583-K586 HydrophobicContact CD1-CD 4.01Å; L583-K586 WeakPolarHBondContact O-CB 3.38Å; L583-K586 PolarHBondContact O-N 2.88Å; S584-K586 VanDerWaalsContact C-N 3.29Å; S584-K586 PolarHBondContact O-N 2.74Å; K586-Q590 VanDerWaalsContact O-CG 3.31Å; K586-Q590 WeakPolarHBondContact O-CG 3.1Å; K586-Q590 PolarHBondContact O-N 3.2Å; K586-Q590 VanDerWaalsContact O-N 3.08Å; K586-D764 IonicContact NZ-OD2 2.99Å; K586-D764 PolarHBondContact NZ-OD2 2.71Å |
| 587 | H | 96.1 | Very high | 92.7 | Very high | 25 Ų | 25 | 80.1 Ų | 80.1 | 12% | 0.116 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | -179.1 | -68.1 | 175.4 | 0 | 0 | 0 | 112.5 | L583 S584 Q590 L591 Q761 | L583-H587 VanDerWaalsContact CD1-NE2 3.34Å; L583-H587 WeakPolarHBondContact CD1-NE2 3.34Å; L583-H587 PolarHBondContact O-CD2 2.8Å; L583-H587 VanDerWaalsContact O-CG 3.27Å; L583-H587 PolarHBondContact O-N 3.16Å; S584-H587 WeakPolarHBondContact O-CB 3.43Å; S584-H587 PolarHBondContact O-N 3.19Å; H587-Q590 PolarHBondContact O-N 3.41Å; H587-L591 WeakPolarHBondContact O-CG 3.46Å; H587-L591 PolarHBondContact O-N 3.4Å; H587-L591 VanDerWaalsContact O-N 3.09Å; H587-Q761 VanDerWaalsContact CA-NE2 3.35Å; H587-Q761 HydrophobicContact CB-CG 4.17Å; H587-Q761 PolarHBondContact CE1-O 2.8Å; H587-Q761 PolarHBondContact O-NE2 3.1Å |
| 588 | E | 92.6 | Very high | 93.3 | Very high | 133 Ų | 133 | 76.6 Ų | 76.6 | 62% | 0.621 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.4 | -48.4 | 174.7 | -176.4 | 171.4 | -150.1 | 0 | 0 | 111.6 | S584 Q590 L591 E592 | S584-E588 PolarHBondContact O-N 3.19Å; E588-Q590 VanDerWaalsContact C-N 3.31Å; E588-Q590 PolarHBondContact O-N 2.85Å; E588-L591 PolarHBondContact O-N 3Å; E588-L591 VanDerWaalsContact O-N 3.12Å; E588-E592 PolarHBondContact O-N 2.85Å |
| 589 | L | 95.3 | Very high | 93.6 | Very high | 93 Ų | 93 | 74.8 Ų | 74.8 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 177 | -178.6 | 62.3 | 0 | 0 | 0 | 112.6 | N585 E592 Q593 | N585-L589 WeakPolarHBondContact O-CB 3.28Å; N585-L589 PolarHBondContact O-N 3.21Å; N585-L589 VanDerWaalsContact O-N 3.1Å; L589-E592 PolarHBondContact O-N 2.79Å; L589-Q593 HydrophobicContact CD1-CG 4.44Å; L589-Q593 WeakPolarHBondContact O-CB 3.42Å; L589-Q593 VanDerWaalsContact O-CG 3.24Å; L589-Q593 WeakPolarHBondContact O-CG 3.26Å; L589-Q593 PolarHBondContact O-N 2.91Å |
| 590 | Q | 95 | Very high | 93.8 | Very high | 57 Ų | 57 | 79.5 Ų | 79.5 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 174.4 | -75.5 | 173.2 | -25.4 | 0 | 0 | 112.5 | K586 H587 E588 M594 L757 | K586-Q590 VanDerWaalsContact O-CG 3.31Å; K586-Q590 WeakPolarHBondContact O-CG 3.1Å; K586-Q590 PolarHBondContact O-N 3.2Å; K586-Q590 VanDerWaalsContact O-N 3.08Å; H587-Q590 PolarHBondContact O-N 3.41Å; E588-Q590 VanDerWaalsContact C-N 3.31Å; E588-Q590 PolarHBondContact O-N 2.85Å; Q590-M594 WeakPolarHBondContact O-CB 3.45Å; Q590-M594 PolarHBondContact O-N 2.83Å; Q590-L757 HydrophobicContact CB-CD1 4.16Å; Q590-L757 HydrophobicContact CB-CD2 4.49Å |
| 591 | L | 93.5 | Very high | 94.2 | Very high | 50 Ų | 50 | 77.5 Ų | 77.5 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 177.2 | -74.1 | 163.1 | 0 | 0 | 0 | 110.9 | H587 E588 M594 H595 L757 | H587-L591 WeakPolarHBondContact O-CG 3.46Å; H587-L591 PolarHBondContact O-N 3.4Å; H587-L591 VanDerWaalsContact O-N 3.09Å; E588-L591 PolarHBondContact O-N 3Å; E588-L591 VanDerWaalsContact O-N 3.12Å; L591-M594 HydrophobicContact CD2-CE 4.15Å; L591-M594 PolarHBondContact O-N 2.8Å; L591-H595 PolarHBondContact O-CD2 3.36Å; L591-H595 PolarHBondContact O-N 2.68Å; L591-L757 HydrophobicContact CD2-CD2 3.87Å; L591-L757 HydrophobicContact CG-CD2 4.32Å |
| 592 | E | 94.4 | Very high | 94.5 | Very high | 93 Ų | 93 | 76.8 Ų | 76.8 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.2 | -157.3 | -142.3 | -163.6 | 0 | 0 | 112 | E588 L589 H595 K596 | E588-E592 PolarHBondContact O-N 2.85Å; L589-E592 PolarHBondContact O-N 2.79Å; E592-H595 PolarHBondContact O-N 2.65Å; E592-K596 VanDerWaalsContact CD-CE 3.4Å; E592-K596 HydrophobicContact CG-CD 4.5Å; E592-K596 WeakPolarHBondContact O-CG 3.23Å; E592-K596 PolarHBondContact O-N 2.86Å; E592-K596 VanDerWaalsContact OE1-CE 3.23Å; E592-K596 WeakPolarHBondContact OE1-CE 3.08Å; E592-K596 IonicContact OE1-NZ 2.94Å; E592-K596 PolarHBondContact OE1-NZ 2.88Å; E592-K596 WeakPolarHBondContact OE2-CE 3.36Å; E592-K596 IonicContact OE2-NZ 2.74Å; E592-K596 PolarHBondContact OE2-NZ 3.37Å |
| 593 | Q | 95.8 | Very high | 94.5 | Very high | 113 Ų | 113 | 75.4 Ų | 75.4 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.5 | -73.1 | 174.6 | 8.5 | 0 | 0 | 112.5 | L589 K596 R597 | L589-Q593 HydrophobicContact CD1-CG 4.44Å; L589-Q593 WeakPolarHBondContact O-CB 3.42Å; L589-Q593 VanDerWaalsContact O-CG 3.24Å; L589-Q593 WeakPolarHBondContact O-CG 3.26Å; L589-Q593 PolarHBondContact O-N 2.91Å; Q593-K596 PolarHBondContact O-N 2.82Å; Q593-R597 PolarHBondContact O-N 2.81Å |
| 594 | M | 95.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 77 Ų | 77 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 174.4 | 176.9 | -152.9 | 68.6 | 0 | 0 | 111.1 | Q590 L591 K596 R597 F598 R754 L757 | Q590-M594 WeakPolarHBondContact O-CB 3.45Å; Q590-M594 PolarHBondContact O-N 2.83Å; L591-M594 HydrophobicContact CD2-CE 4.15Å; L591-M594 PolarHBondContact O-N 2.8Å; M594-K596 PolarHBondContact O-N 3.24Å; M594-R597 PolarHBondContact O-N 2.67Å; M594-F598 HydrophobicContact CE-CD2 4.42Å; M594-F598 HydrophobicContact CE-CE2 4.05Å; M594-F598 HydrophobicContact CG-CD1 4.47Å; M594-F598 HydrophobicContact CG-CD2 4.1Å; M594-F598 HydrophobicContact CG-CE1 3.95Å; M594-F598 HydrophobicContact CG-CE2 3.53Å; M594-F598 HydrophobicContact CG-CZ 3.44Å; M594-F598 VanDerWaalsContact CG-CZ 3.44Å; M594-F598 WeakPolarHBondContact O-CG 3.44Å; M594-F598 PolarHBondContact O-N 3.44Å; M594-F598 HydrophobicContact SD-CD2 4.49Å; M594-F598 HydrophobicContact SD-CE2 3.65Å; M594-F598 HydrophobicContact SD-CZ 3.9Å; M594-R754 HydrophobicContact CE-CG 4.45Å; M594-R754 HydrophobicContact SD-CB 4.14Å; M594-R754 HydrophobicContact SD-CG 4.28Å; M594-L757 HydrophobicContact CB-CD2 4.18Å; M594-L757 HydrophobicContact CG-CD2 4.4Å; M594-L757 HydrophobicContact SD-CD2 3.76Å |
| 595 | H | 92.8 | Very high | 94.8 | Very high | 89 Ų | 89 | 77.7 Ų | 77.7 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 178.7 | -82.4 | -67.1 | 0 | 0 | 0 | 112.2 | L591 E592 R597 F598 E599 | L591-H595 PolarHBondContact O-CD2 3.36Å; L591-H595 PolarHBondContact O-N 2.68Å; E592-H595 PolarHBondContact O-N 2.65Å; H595-R597 VanDerWaalsContact C-N 3.3Å; H595-R597 PolarHBondContact O-N 3.23Å; H595-F598 PolarHBondContact O-N 3.31Å; H595-E599 PolarHBondContact O-N 3.48Å |
| 596 | K | 95.6 | Very high | 94.8 | Very high | 96 Ų | 96 | 77.1 Ų | 77.1 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 176 | -74 | 170.2 | -179.8 | 172.6 | 0 | 112.6 | E592 Q593 M594 Q600 | E592-K596 VanDerWaalsContact CD-CE 3.4Å; E592-K596 HydrophobicContact CG-CD 4.5Å; E592-K596 WeakPolarHBondContact O-CG 3.23Å; E592-K596 PolarHBondContact O-N 2.86Å; E592-K596 VanDerWaalsContact OE1-CE 3.23Å; E592-K596 WeakPolarHBondContact OE1-CE 3.08Å; E592-K596 IonicContact OE1-NZ 2.94Å; E592-K596 PolarHBondContact OE1-NZ 2.88Å; E592-K596 WeakPolarHBondContact OE2-CE 3.36Å; E592-K596 IonicContact OE2-NZ 2.74Å; E592-K596 PolarHBondContact OE2-NZ 3.37Å; Q593-K596 PolarHBondContact O-N 2.82Å; M594-K596 PolarHBondContact O-N 3.24Å; K596-Q600 VanDerWaalsContact O-CG 3.23Å; K596-Q600 WeakPolarHBondContact O-CG 3.37Å; K596-Q600 PolarHBondContact O-N 3.26Å |
| 597 | R | 96.3 | Very high | 94.8 | Very high | 92 Ų | 92 | 79.8 Ų | 79.8 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 173.8 | 174.4 | 169.7 | 61 | 94.2 | -4.2 | 111.8 | Q593 M594 H595 E599 Q600 E601 E753 | Q593-R597 PolarHBondContact O-N 2.81Å; M594-R597 PolarHBondContact O-N 2.67Å; H595-R597 VanDerWaalsContact C-N 3.3Å; H595-R597 PolarHBondContact O-N 3.23Å; R597-E599 VanDerWaalsContact C-N 3.33Å; R597-E599 PolarHBondContact O-N 3.5Å; R597-Q600 WeakPolarHBondContact O-CB 3.41Å; R597-Q600 PolarHBondContact O-N 3.08Å; R597-Q600 VanDerWaalsContact O-N 3.08Å; R597-E601 VanDerWaalsContact CD-OE1 3.29Å; R597-E601 WeakPolarHBondContact CD-OE1 3.41Å; R597-E601 HydrophobicContact CG-CG 4.18Å; R597-E601 WeakPolarHBondContact CG-OE1 3.42Å; R597-E601 IonicContact CZ-OE1 2.66Å; R597-E601 IonicContact NE-OE1 3.73Å; R597-E601 IonicContact NH1-OE1 3.96Å; R597-E601 PolarHBondContact NH1-OE1 3.42Å; R597-E601 WeakPolarHBondContact O-CG 3.23Å; R597-E601 PolarHBondContact O-N 2.86Å; R597-E753 IonicContact CZ-OE2 2.77Å; R597-E753 VanDerWaalsContact CZ-OE2 3.25Å; R597-E753 IonicContact NH1-OE1 2.75Å; R597-E753 IonicContact NH1-OE2 2.79Å; R597-E753 PolarHBondContact NH1-OE2 3.48Å; R597-E753 IonicContact NH2-OE1 3.23Å; R597-E753 IonicContact NH2-OE2 2.67Å; R597-E753 PolarHBondContact NH2-OE2 3Å |
| 598 | F | 96.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 84 Ų | 84 | 7% | 0.066 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | -179.5 | -69.4 | -6 | 0 | 0 | 0 | 112.6 | M594 H595 Q600 E601 I602 Q750 E753 | M594-F598 HydrophobicContact CE-CD2 4.42Å; M594-F598 HydrophobicContact CE-CE2 4.05Å; M594-F598 HydrophobicContact CG-CD1 4.47Å; M594-F598 HydrophobicContact CG-CD2 4.1Å; M594-F598 HydrophobicContact CG-CE1 3.95Å; M594-F598 HydrophobicContact CG-CE2 3.53Å; M594-F598 HydrophobicContact CG-CZ 3.44Å; M594-F598 VanDerWaalsContact CG-CZ 3.44Å; M594-F598 WeakPolarHBondContact O-CG 3.44Å; M594-F598 PolarHBondContact O-N 3.44Å; M594-F598 HydrophobicContact SD-CD2 4.49Å; M594-F598 HydrophobicContact SD-CE2 3.65Å; M594-F598 HydrophobicContact SD-CZ 3.9Å; H595-F598 PolarHBondContact O-N 3.31Å; F598-Q600 VanDerWaalsContact C-N 3.35Å; F598-Q600 PolarHBondContact O-N 3.5Å; F598-E601 PolarHBondContact O-N 3.35Å; F598-I602 WeakPolarHBondContact O-CB 3.31Å; F598-I602 WeakPolarHBondContact O-CD1 3.42Å; F598-I602 VanDerWaalsContact O-CG1 3.24Å; F598-I602 WeakPolarHBondContact O-CG1 3.42Å; F598-I602 PolarHBondContact O-N 2.89Å; F598-Q750 HydrophobicContact CB-CG 4.44Å; F598-Q750 HydrophobicContact CD1-CG 3.67Å; F598-Q750 HydrophobicContact CD2-CB 3.94Å; F598-Q750 HydrophobicContact CD2-CG 3.82Å; F598-Q750 HydrophobicContact CE1-CB 4.32Å; F598-Q750 HydrophobicContact CE1-CG 3.72Å; F598-Q750 HydrophobicContact CE2-CB 3.68Å; F598-Q750 HydrophobicContact CE2-CG 3.87Å; F598-Q750 HydrophobicContact CG-CB 4.37Å; F598-Q750 VanDerWaalsContact CG-CD 3.49Å; F598-Q750 HydrophobicContact CG-CG 3.73Å; F598-Q750 HydrophobicContact CZ-CB 3.89Å; F598-Q750 HydrophobicContact CZ-CG 3.82Å; F598-E753 WeakPolarHBondContact CE1-OE2 3.41Å; F598-E753 HydrophobicContact CZ-CB 4.1Å |
| 599 | E | 94.5 | Very high | 95 | Very high | 126 Ų | 126 | 78.5 Ų | 78.5 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 173.5 | -70.8 | -175.3 | 167.5 | 0 | 0 | 112.4 | H595 R597 N603 | H595-E599 PolarHBondContact O-N 3.48Å; R597-E599 VanDerWaalsContact C-N 3.33Å; R597-E599 PolarHBondContact O-N 3.5Å; E599-N603 WeakPolarHBondContact O-CB 3.39Å; E599-N603 VanDerWaalsContact O-CG 3.23Å; E599-N603 PolarHBondContact O-N 3.47Å; E599-N603 PolarHBondContact O-ND2 3.19Å |
| 600 | Q | 95.3 | Very high | 94.9 | Very high | 137 Ų | 137 | 77.4 Ų | 77.4 | 64% | 0.64 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.1 | -44.8 | 176.8 | -71.6 | 169.8 | 25.1 | 0 | 0 | 111.8 | K596 R597 F598 N603 A604 | K596-Q600 VanDerWaalsContact O-CG 3.23Å; K596-Q600 WeakPolarHBondContact O-CG 3.37Å; K596-Q600 PolarHBondContact O-N 3.26Å; R597-Q600 WeakPolarHBondContact O-CB 3.41Å; R597-Q600 PolarHBondContact O-N 3.08Å; R597-Q600 VanDerWaalsContact O-N 3.08Å; F598-Q600 VanDerWaalsContact C-N 3.35Å; F598-Q600 PolarHBondContact O-N 3.5Å; Q600-N603 PolarHBondContact O-N 3Å; Q600-A604 VanDerWaalsContact O-CB 3.26Å; Q600-A604 WeakPolarHBondContact O-CB 3.47Å; Q600-A604 PolarHBondContact O-N 2.86Å |
| 601 | E | 95.1 | Very high | 95 | Very high | 57 Ų | 57 | 78.4 Ų | 78.4 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -50 | 176.4 | -71.7 | 169.7 | -175.9 | 0 | 0 | 111.6 | R597 F598 N603 A604 K605 M746 Q750 | R597-E601 VanDerWaalsContact CD-OE1 3.29Å; R597-E601 WeakPolarHBondContact CD-OE1 3.41Å; R597-E601 HydrophobicContact CG-CG 4.18Å; R597-E601 WeakPolarHBondContact CG-OE1 3.42Å; R597-E601 IonicContact CZ-OE1 2.66Å; R597-E601 IonicContact NE-OE1 3.73Å; R597-E601 IonicContact NH1-OE1 3.96Å; R597-E601 PolarHBondContact NH1-OE1 3.42Å; R597-E601 WeakPolarHBondContact O-CG 3.23Å; R597-E601 PolarHBondContact O-N 2.86Å; F598-E601 PolarHBondContact O-N 3.35Å; E601-N603 PolarHBondContact O-N 2.83Å; E601-A604 PolarHBondContact O-N 3.15Å; E601-K605 PolarHBondContact O-N 3.41Å; E601-M746 HydrophobicContact CB-CE 3.9Å; E601-M746 HydrophobicContact CB-SD 4.03Å; E601-Q750 PolarHBondContact OE2-NE2 2.93Å |
| 602 | I | 93.1 | Very high | 95 | Very high | 43 Ų | 43 | 79.7 Ų | 79.7 | 22% | 0.221 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 177.8 | -70.5 | 167.7 | 0 | 0 | 0 | 110.7 | F598 K605 K606 L743 M746 | F598-I602 WeakPolarHBondContact O-CB 3.31Å; F598-I602 WeakPolarHBondContact O-CD1 3.42Å; F598-I602 VanDerWaalsContact O-CG1 3.24Å; F598-I602 WeakPolarHBondContact O-CG1 3.42Å; F598-I602 PolarHBondContact O-N 2.89Å; I602-K605 PolarHBondContact O-N 3.22Å; I602-K606 HydrophobicContact CG2-CD 3.94Å; I602-K606 WeakPolarHBondContact O-CB 3.33Å; I602-K606 WeakPolarHBondContact O-CG 3.48Å; I602-K606 PolarHBondContact O-N 2.78Å; I602-L743 HydrophobicContact CG2-CD2 4.43Å; I602-M746 HydrophobicContact CB-SD 4.24Å; I602-M746 HydrophobicContact CG1-CG 4.46Å; I602-M746 HydrophobicContact CG1-SD 3.48Å; I602-M746 WeakPolarHBondContact CG1-SD 3.44Å |
| 603 | N | 94.4 | Very high | 95 | Very high | 77 Ų | 77 | 76.9 Ų | 76.9 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.6 | -31.2 | -178 | -74.7 | -46.1 | 0 | 0 | 0 | 112.7 | E599 Q600 E601 K607 | E599-N603 WeakPolarHBondContact O-CB 3.39Å; E599-N603 VanDerWaalsContact O-CG 3.23Å; E599-N603 PolarHBondContact O-N 3.47Å; E599-N603 PolarHBondContact O-ND2 3.19Å; Q600-N603 PolarHBondContact O-N 3Å; E601-N603 PolarHBondContact O-N 2.83Å; N603-K607 WeakPolarHBondContact O-CB 3.24Å; N603-K607 WeakPolarHBondContact O-CD 3.27Å; N603-K607 VanDerWaalsContact O-CG 3.22Å; N603-K607 WeakPolarHBondContact O-CG 3.47Å; N603-K607 PolarHBondContact O-N 2.87Å; N603-K607 VanDerWaalsContact O-N 3.12Å |
| 604 | A | 95.7 | Very high | 94.9 | Very high | 61 Ų | 61 | 76.2 Ų | 76.2 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.9 | -47.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q600 E601 K607 F608 | Q600-A604 VanDerWaalsContact O-CB 3.26Å; Q600-A604 WeakPolarHBondContact O-CB 3.47Å; Q600-A604 PolarHBondContact O-N 2.86Å; E601-A604 PolarHBondContact O-N 3.15Å; A604-K607 PolarHBondContact O-N 2.99Å; A604-F608 PolarHBondContact O-N 3.01Å |
| 605 | K | 93.8 | Very high | 94.8 | Very high | 83 Ų | 83 | 79 Ų | 79 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 177 | -87.7 | -71.5 | -171 | 171.3 | 0 | 112.8 | E601 I602 F608 F609 M746 | E601-K605 PolarHBondContact O-N 3.41Å; I602-K605 PolarHBondContact O-N 3.22Å; K605-F608 PolarHBondContact O-N 3.15Å; K605-F609 HydrophobicContact CD-CE2 4.07Å; K605-F609 VanDerWaalsContact O-CD2 3.27Å; K605-F609 WeakPolarHBondContact O-CD2 3.42Å; K605-F609 PolarHBondContact O-N 3.19Å; K605-M746 HydrophobicContact CB-CE 4.26Å; K605-M746 HydrophobicContact CG-CE 3.7Å |
| 606 | K | 93.4 | Very high | 94.8 | Very high | 78 Ų | 78 | 75.8 Ų | 75.8 | 34% | 0.339 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.8 | -54.7 | 173.9 | -75 | 173.4 | 179.9 | 173.1 | 0 | 111.1 | I602 F608 F609 D610 L743 | I602-K606 HydrophobicContact CG2-CD 3.94Å; I602-K606 WeakPolarHBondContact O-CB 3.33Å; I602-K606 WeakPolarHBondContact O-CG 3.48Å; I602-K606 PolarHBondContact O-N 2.78Å; K606-F608 VanDerWaalsContact C-N 3.29Å; K606-F608 PolarHBondContact O-N 3.14Å; K606-F609 PolarHBondContact O-N 3.01Å; K606-D610 WeakPolarHBondContact O-CB 2.77Å; K606-D610 PolarHBondContact O-N 3.3Å; K606-L743 HydrophobicContact CG-CD2 4.34Å |
| 607 | K | 95.8 | Very high | 94.5 | Very high | 148 Ų | 148 | 75 Ų | 75 | 64% | 0.643 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -55.6 | -39.9 | 178.3 | -73.9 | 171.6 | -177.6 | 178.5 | 0 | 113.3 | N603 A604 V611 | N603-K607 WeakPolarHBondContact O-CB 3.24Å; N603-K607 WeakPolarHBondContact O-CD 3.27Å; N603-K607 VanDerWaalsContact O-CG 3.22Å; N603-K607 WeakPolarHBondContact O-CG 3.47Å; N603-K607 PolarHBondContact O-N 2.87Å; N603-K607 VanDerWaalsContact O-N 3.12Å; A604-K607 PolarHBondContact O-N 2.99Å; K607-V611 WeakPolarHBondContact O-CB 3.48Å; K607-V611 VanDerWaalsContact O-CG2 3.29Å; K607-V611 WeakPolarHBondContact O-CG2 3.33Å; K607-V611 PolarHBondContact O-N 3.02Å |
| 608 | F | 96.6 | Very high | 94.4 | Very high | 112 Ų | 112 | 76.9 Ų | 76.9 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.9 | -54.6 | 176 | 171.2 | -96.1 | 0 | 0 | 0 | 111.9 | A604 K605 K606 D610 V611 E612 | A604-F608 PolarHBondContact O-N 3.01Å; K605-F608 PolarHBondContact O-N 3.15Å; K606-F608 VanDerWaalsContact C-N 3.29Å; K606-F608 PolarHBondContact O-N 3.14Å; F608-D610 VanDerWaalsContact C-N 3.35Å; F608-D610 PolarHBondContact O-N 3.43Å; F608-V611 PolarHBondContact O-N 3.39Å; F608-E612 HydrophobicContact CE1-CG 4.44Å; F608-E612 HydrophobicContact CE2-CG 4.29Å; F608-E612 HydrophobicContact CZ-CG 4.12Å; F608-E612 PolarHBondContact O-N 3.3Å |
| 609 | F | 95.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 81.9 Ų | 81.9 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.5 | -33.6 | -179.5 | -74.2 | -71.3 | 0 | 0 | 0 | 113 | K605 K606 V611 E612 L613 D738 R739 A742 | K605-F609 HydrophobicContact CD-CE2 4.07Å; K605-F609 VanDerWaalsContact O-CD2 3.27Å; K605-F609 WeakPolarHBondContact O-CD2 3.42Å; K605-F609 PolarHBondContact O-N 3.19Å; K606-F609 PolarHBondContact O-N 3.01Å; F609-V611 VanDerWaalsContact C-N 3.34Å; F609-E612 PolarHBondContact O-N 3.5Å; F609-L613 WeakPolarHBondContact O-CB 3.4Å; F609-L613 PolarHBondContact O-N 2.85Å; F609-D738 HydrophobicContact CE1-CB 3.96Å; F609-D738 HydrophobicContact CZ-CB 4.33Å; F609-R739 HydrophobicContact CB-CB 3.95Å; F609-R739 HydrophobicContact CB-CG 3.65Å; F609-R739 HydrophobicContact CD1-CB 3.89Å; F609-R739 HydrophobicContact CD1-CG 4.49Å; F609-R739 HydrophobicContact CD2-CB 3.89Å; F609-R739 HydrophobicContact CD2-CG 3.82Å; F609-R739 HydrophobicContact CE1-CB 4.32Å; F609-R739 HydrophobicContact CE2-CB 4.32Å; F609-R739 HydrophobicContact CG-CB 3.65Å; F609-R739 HydrophobicContact CG-CG 3.76Å; F609-A742 HydrophobicContact CE2-CB 3.87Å; F609-A742 HydrophobicContact CZ-CB 4.06Å |
| 610 | D | 93.9 | Very high | 93.9 | Very high | 70 Ų | 70 | 76.9 Ų | 76.9 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 178.3 | -60.3 | -18.2 | 0 | 0 | 0 | 111.2 | K606 F608 E614 R739 | K606-D610 WeakPolarHBondContact O-CB 2.77Å; K606-D610 PolarHBondContact O-N 3.3Å; F608-D610 VanDerWaalsContact C-N 3.35Å; F608-D610 PolarHBondContact O-N 3.43Å; D610-E614 PolarHBondContact O-N 3.47Å; D610-R739 IonicContact OD1-CZ 3.15Å; D610-R739 VanDerWaalsContact OD1-CZ 3.27Å; D610-R739 IonicContact OD1-NE 3.51Å; D610-R739 PolarHBondContact OD1-NE 2.91Å; D610-R739 IonicContact OD1-NH2 2.73Å; D610-R739 PolarHBondContact OD1-NH2 2.94Å; D610-R739 IonicContact OD2-NH2 3.37Å |
| 611 | V | 96.2 | Very high | 93.7 | Very high | 79 Ų | 79 | 77.3 Ų | 77.3 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.9 | -43.9 | 171.9 | 166.5 | 0 | 0 | 0 | 0 | 112 | K607 F608 F609 L613 E614 N615 | K607-V611 WeakPolarHBondContact O-CB 3.48Å; K607-V611 VanDerWaalsContact O-CG2 3.29Å; K607-V611 WeakPolarHBondContact O-CG2 3.33Å; K607-V611 PolarHBondContact O-N 3.02Å; F608-V611 PolarHBondContact O-N 3.39Å; F609-V611 VanDerWaalsContact C-N 3.34Å; V611-L613 VanDerWaalsContact C-N 3.26Å; V611-L613 PolarHBondContact O-N 3.29Å; V611-E614 PolarHBondContact O-N 3.41Å; V611-E614 VanDerWaalsContact O-N 3.15Å; V611-N615 PolarHBondContact O-N 2.69Å; V611-N615 PolarHBondContact O-ND2 2.97Å |
| 612 | E | 95.2 | Very high | 93.6 | Very high | 76 Ų | 76 | 80.5 Ų | 80.5 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.1 | -31.6 | 177.2 | -72.9 | -62.8 | 88.6 | 0 | 0 | 112.5 | F608 F609 N615 L616 | F608-E612 HydrophobicContact CE1-CG 4.44Å; F608-E612 HydrophobicContact CE2-CG 4.29Å; F608-E612 HydrophobicContact CZ-CG 4.12Å; F608-E612 PolarHBondContact O-N 3.3Å; F609-E612 PolarHBondContact O-N 3.5Å; E612-N615 PolarHBondContact O-N 3.48Å; E612-N615 PolarHBondContact OE1-ND2 3.37Å; E612-L616 WeakPolarHBondContact O-CB 3.45Å; E612-L616 PolarHBondContact O-N 3.27Å |
| 613 | L | 93.1 | Very high | 93.5 | Very high | 34 Ų | 34 | 82.8 Ų | 82.8 | 18% | 0.178 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 171.3 | -157.7 | 73.8 | 0 | 0 | 0 | 111.6 | F609 V611 L616 E617 K732 L736 | F609-L613 WeakPolarHBondContact O-CB 3.4Å; F609-L613 PolarHBondContact O-N 2.85Å; V611-L613 VanDerWaalsContact C-N 3.26Å; V611-L613 PolarHBondContact O-N 3.29Å; L613-L616 PolarHBondContact O-N 3.32Å; L613-E617 WeakPolarHBondContact O-CG 3.18Å; L613-E617 PolarHBondContact O-N 3.19Å; L613-K732 HydrophobicContact CD1-CD 4.33Å; L613-K732 HydrophobicContact CD1-CG 3.71Å; L613-L736 HydrophobicContact CD1-CG 4.47Å |
| 614 | E | 94.3 | Very high | 93.2 | Very high | 100 Ų | 100 | 80.1 Ų | 80.1 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 176.6 | -154.2 | -146.6 | 131 | 0 | 0 | 111.8 | D610 V611 L616 E617 R618 | D610-E614 PolarHBondContact O-N 3.47Å; V611-E614 PolarHBondContact O-N 3.41Å; V611-E614 VanDerWaalsContact O-N 3.15Å; E614-L616 PolarHBondContact O-N 3.23Å; E614-E617 PolarHBondContact O-N 3.25Å; E614-R618 WeakPolarHBondContact O-CB 3.4Å; E614-R618 PolarHBondContact O-N 2.97Å; E614-R618 IonicContact OE1-CZ 3.17Å; E614-R618 IonicContact OE1-NE 2.71Å; E614-R618 IonicContact OE1-NH2 2.68Å; E614-R618 PolarHBondContact OE1-NH2 2.84Å |
| 615 | N | 94.1 | Very high | 93 | Very high | 68 Ų | 68 | 81.9 Ų | 81.9 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 174.7 | -75.5 | -26.6 | 0 | 0 | 0 | 111.3 | V611 E612 R618 Q619 | V611-N615 PolarHBondContact O-N 2.69Å; V611-N615 PolarHBondContact O-ND2 2.97Å; E612-N615 PolarHBondContact O-N 3.48Å; E612-N615 PolarHBondContact OE1-ND2 3.37Å; N615-R618 PolarHBondContact O-N 2.94Å; N615-Q619 WeakPolarHBondContact O-CB 3.43Å; N615-Q619 PolarHBondContact O-N 3.41Å |
| 616 | L | 92.9 | Very high | 93 | Very high | 22 Ų | 22 | 84.2 Ų | 84.2 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 177.5 | -177.6 | 63.8 | 0 | 0 | 0 | 112.3 | E612 L613 E614 R618 Q619 Q620 K731 K732 L735 | E612-L616 WeakPolarHBondContact O-CB 3.45Å; E612-L616 PolarHBondContact O-N 3.27Å; L613-L616 PolarHBondContact O-N 3.32Å; E614-L616 PolarHBondContact O-N 3.23Å; L616-R618 VanDerWaalsContact C-N 3.35Å; L616-R618 PolarHBondContact O-N 3.35Å; L616-Q619 PolarHBondContact O-N 2.81Å; L616-Q620 WeakPolarHBondContact O-CB 3.29Å; L616-Q620 PolarHBondContact O-N 3.31Å; L616-K731 HydrophobicContact CD1-CB 4.42Å; L616-K731 HydrophobicContact CD2-CB 3.97Å; L616-K732 HydrophobicContact CD2-CB 3.96Å; L616-L735 HydrophobicContact CB-CD1 4.4Å; L616-L735 HydrophobicContact CD2-CD1 3.83Å |
| 617 | E | 89.7 | Confident | 92.8 | Very high | 78 Ų | 78 | 81.6 Ų | 81.6 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.8 | -73.7 | -172.3 | 176.2 | 0 | 0 | 112.2 | L613 E614 Q620 K621 K732 | L613-E617 WeakPolarHBondContact O-CG 3.18Å; L613-E617 PolarHBondContact O-N 3.19Å; E614-E617 PolarHBondContact O-N 3.25Å; E617-Q620 WeakPolarHBondContact O-CB 3.48Å; E617-Q620 PolarHBondContact O-N 3.18Å; E617-K621 WeakPolarHBondContact O-CB 3.12Å; E617-K621 PolarHBondContact O-N 2.8Å; E617-K732 IonicContact OE1-NZ 3.63Å; E617-K732 PolarHBondContact OE1-NZ 2.94Å |
| 618 | R | 93.2 | Very high | 92.6 | Very high | 132 Ų | 132 | 79.9 Ų | 79.9 | 50% | 0.498 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 176 | -168.9 | -175 | -66.6 | -168.5 | 0.4 | 111.2 | E614 N615 L616 Q622 | E614-R618 WeakPolarHBondContact O-CB 3.4Å; E614-R618 PolarHBondContact O-N 2.97Å; E614-R618 IonicContact OE1-CZ 3.17Å; E614-R618 IonicContact OE1-NE 2.71Å; E614-R618 IonicContact OE1-NH2 2.68Å; E614-R618 PolarHBondContact OE1-NH2 2.84Å; N615-R618 PolarHBondContact O-N 2.94Å; L616-R618 VanDerWaalsContact C-N 3.35Å; L616-R618 PolarHBondContact O-N 3.35Å; R618-Q622 WeakPolarHBondContact O-CG 3.24Å; R618-Q622 PolarHBondContact O-N 2.9Å |
| 619 | Q | 91.4 | Very high | 92.4 | Very high | 120 Ų | 120 | 80 Ų | 80 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 175.2 | -169.6 | -178 | 42.1 | 0 | 0 | 111.9 | N615 L616 K621 Q622 Q623 | N615-Q619 WeakPolarHBondContact O-CB 3.43Å; N615-Q619 PolarHBondContact O-N 3.41Å; L616-Q619 PolarHBondContact O-N 2.81Å; Q619-K621 PolarHBondContact O-N 3.05Å; Q619-Q622 PolarHBondContact O-N 2.9Å; Q619-Q623 WeakPolarHBondContact O-CB 3.41Å; Q619-Q623 PolarHBondContact O-N 3.09Å |
| 620 | Q | 90 | Very high | 92.1 | Very high | 21 Ų | 21 | 82.6 Ų | 82.6 | 10% | 0.098 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.1 | -51.9 | 174.9 | -174.8 | -169.4 | -3 | 0 | 0 | 110.7 | L616 E617 Q622 Q623 V624 C728 | L616-Q620 WeakPolarHBondContact O-CB 3.29Å; L616-Q620 PolarHBondContact O-N 3.31Å; E617-Q620 WeakPolarHBondContact O-CB 3.48Å; E617-Q620 PolarHBondContact O-N 3.18Å; Q620-Q622 PolarHBondContact O-N 3.02Å; Q620-Q623 PolarHBondContact O-N 3.35Å; Q620-Q623 VanDerWaalsContact O-N 3.15Å; Q620-V624 HydrophobicContact CG-CG2 4.43Å; Q620-V624 WeakPolarHBondContact O-CG2 3.38Å; Q620-V624 PolarHBondContact O-N 2.95Å; Q620-C728 VanDerWaalsContact CB-SG 3.56Å; Q620-C728 HydrophobicContact CG-CB 3.99Å; Q620-C728 VanDerWaalsContact CG-SG 3.52Å; Q620-C728 PolarHBondContact OE1-SG 3.39Å |
| 621 | K | 90.4 | Very high | 92 | Very high | 146 Ų | 146 | 79.5 Ų | 79.5 | 64% | 0.635 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.8 | -47.1 | -177.9 | -173.9 | -176.4 | 174.2 | -174.3 | 0 | 111.7 | E617 Q619 Q623 V624 E625 | E617-K621 WeakPolarHBondContact O-CB 3.12Å; E617-K621 PolarHBondContact O-N 2.8Å; Q619-K621 PolarHBondContact O-N 3.05Å; K621-Q623 VanDerWaalsContact C-N 3.32Å; K621-Q623 PolarHBondContact O-N 3.27Å; K621-V624 PolarHBondContact O-N 2.89Å; K621-E625 VanDerWaalsContact O-CB 3.31Å; K621-E625 WeakPolarHBondContact O-CB 3.12Å; K621-E625 PolarHBondContact O-N 2.83Å |
| 622 | Q | 92.8 | Very high | 91.7 | Very high | 124 Ų | 124 | 76.8 Ų | 76.8 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | 176.7 | -71.2 | 174.9 | -0.8 | 0 | 0 | 112.3 | R618 Q619 Q620 K626 | R618-Q622 WeakPolarHBondContact O-CG 3.24Å; R618-Q622 PolarHBondContact O-N 2.9Å; Q619-Q622 PolarHBondContact O-N 2.9Å; Q620-Q622 PolarHBondContact O-N 3.02Å; Q622-K626 WeakPolarHBondContact O-CB 3.41Å; Q622-K626 PolarHBondContact O-N 3.35Å |
| 623 | Q | 91 | Very high | 91.5 | Very high | 91 Ų | 91 | 76.1 Ų | 76.1 | 43% | 0.425 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.5 | -42.3 | 179.4 | -170.8 | 167.8 | 46.3 | 0 | 0 | 112.2 | Q619 Q620 K621 M627 | Q619-Q623 WeakPolarHBondContact O-CB 3.41Å; Q619-Q623 PolarHBondContact O-N 3.09Å; Q620-Q623 PolarHBondContact O-N 3.35Å; Q620-Q623 VanDerWaalsContact O-N 3.15Å; K621-Q623 VanDerWaalsContact C-N 3.32Å; K621-Q623 PolarHBondContact O-N 3.27Å; Q623-M627 WeakPolarHBondContact O-CG 3.48Å; Q623-M627 PolarHBondContact O-N 3.46Å |
| 624 | V | 88.9 | Confident | 91.3 | Very high | 22 Ų | 22 | 79.1 Ų | 79.1 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | Q620 K621 K626 M627 E628 E725 | Q620-V624 HydrophobicContact CG-CG2 4.43Å; Q620-V624 WeakPolarHBondContact O-CG2 3.38Å; Q620-V624 PolarHBondContact O-N 2.95Å; K621-V624 PolarHBondContact O-N 2.89Å; V624-K626 VanDerWaalsContact C-N 3.3Å; V624-K626 PolarHBondContact O-N 2.83Å; V624-M627 PolarHBondContact O-N 2.88Å; V624-E628 HydrophobicContact CG1-CG 4.4Å; V624-E628 PolarHBondContact O-N 3.19Å; V624-E725 HydrophobicContact CG2-CG 4.25Å |
| 625 | E | 91.4 | Very high | 90.9 | Very high | 97 Ų | 97 | 79.1 Ų | 79.1 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 178.6 | -176.2 | 174.9 | 172.8 | 0 | 0 | 111.8 | K621 E628 Q629 | K621-E625 VanDerWaalsContact O-CB 3.31Å; K621-E625 WeakPolarHBondContact O-CB 3.12Å; K621-E625 PolarHBondContact O-N 2.83Å; E625-E628 PolarHBondContact O-N 2.82Å; E625-Q629 WeakPolarHBondContact O-CG 3.4Å; E625-Q629 PolarHBondContact O-N 3.17Å; E625-Q629 VanDerWaalsContact O-N 3.1Å |
| 626 | K | 93.1 | Very high | 90.6 | Very high | 132 Ų | 132 | 83.9 Ų | 83.9 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -46.9 | 173 | -176.3 | 179.9 | 175.8 | -177 | 0 | 112 | Q622 V624 E628 Q629 D630 | Q622-K626 WeakPolarHBondContact O-CB 3.41Å; Q622-K626 PolarHBondContact O-N 3.35Å; V624-K626 VanDerWaalsContact C-N 3.3Å; V624-K626 PolarHBondContact O-N 2.83Å; K626-E628 VanDerWaalsContact C-N 3.33Å; K626-E628 PolarHBondContact O-N 3.15Å; K626-Q629 WeakPolarHBondContact O-CB 3.34Å; K626-Q629 PolarHBondContact O-N 3.21Å; K626-D630 PolarHBondContact O-N 3.35Å |
| 627 | M | 90.4 | Very high | 90.5 | Very high | 23 Ų | 23 | 88.2 Ų | 88.2 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.1 | -66.9 | -149.1 | -47.7 | 0 | 0 | 111.7 | Q623 V624 Q629 D630 H631 E720 I721 K724 | Q623-M627 WeakPolarHBondContact O-CG 3.48Å; Q623-M627 PolarHBondContact O-N 3.46Å; V624-M627 PolarHBondContact O-N 2.88Å; M627-Q629 VanDerWaalsContact C-N 3.29Å; M627-Q629 PolarHBondContact O-N 2.81Å; M627-D630 PolarHBondContact O-N 2.85Å; M627-H631 VanDerWaalsContact O-CB 3.22Å; M627-H631 WeakPolarHBondContact O-CB 3.3Å; M627-H631 PolarHBondContact O-CD2 3.37Å; M627-H631 PolarHBondContact O-N 2.91Å; M627-E720 HydrophobicContact CE-CG 4.12Å; M627-E720 HydrophobicContact SD-CG 4.01Å; M627-I721 HydrophobicContact CE-CB 4.36Å; M627-I721 HydrophobicContact CE-CG1 3.8Å; M627-K724 HydrophobicContact CE-CB 3.89Å; M627-K724 HydrophobicContact CE-CG 3.73Å; M627-K724 HydrophobicContact SD-CG 4.11Å |
| 628 | E | 89.9 | Confident | 90.4 | Very high | 112 Ų | 112 | 87.4 Ų | 87.4 | 52% | 0.523 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 175.1 | -70.9 | -167.6 | 137.8 | 0 | 0 | 112.7 | V624 E625 K626 A632 I721 | V624-E628 HydrophobicContact CG1-CG 4.4Å; V624-E628 PolarHBondContact O-N 3.19Å; E625-E628 PolarHBondContact O-N 2.82Å; K626-E628 VanDerWaalsContact C-N 3.33Å; K626-E628 PolarHBondContact O-N 3.15Å; E628-A632 WeakPolarHBondContact O-CB 3.44Å; E628-A632 PolarHBondContact O-N 3.2Å; E628-I721 HydrophobicContact CG-CD1 4.08Å |
| 629 | Q | 92.2 | Very high | 90.1 | Very high | 114 Ų | 114 | 82 Ų | 82 | 53% | 0.533 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.1 | -50.2 | 173.2 | -68.7 | 175.9 | 28 | 0 | 0 | 111.5 | E625 K626 M627 H631 A632 V633 | E625-Q629 WeakPolarHBondContact O-CG 3.4Å; E625-Q629 PolarHBondContact O-N 3.17Å; E625-Q629 VanDerWaalsContact O-N 3.1Å; K626-Q629 WeakPolarHBondContact O-CB 3.34Å; K626-Q629 PolarHBondContact O-N 3.21Å; M627-Q629 VanDerWaalsContact C-N 3.29Å; M627-Q629 PolarHBondContact O-N 2.81Å; Q629-H631 VanDerWaalsContact C-N 3.3Å; Q629-H631 PolarHBondContact O-N 3.47Å; Q629-A632 WeakPolarHBondContact O-CA 3.2Å; Q629-A632 WeakPolarHBondContact O-CB 3.49Å; Q629-A632 PolarHBondContact O-N 3.09Å; Q629-V633 PolarHBondContact O-N 3.13Å |
| 630 | D | 90.9 | Very high | 90 | Very high | 73 Ų | 73 | 83.4 Ų | 83.4 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 176.7 | -70.7 | -27.8 | 0 | 0 | 0 | 110.8 | K626 M627 A632 V633 R634 | K626-D630 PolarHBondContact O-N 3.35Å; M627-D630 PolarHBondContact O-N 2.85Å; D630-A632 VanDerWaalsContact C-N 3.32Å; D630-A632 PolarHBondContact O-N 3.42Å; D630-V633 PolarHBondContact O-N 3.43Å; D630-V633 VanDerWaalsContact O-N 3.15Å; D630-R634 WeakPolarHBondContact O-CG 3.37Å; D630-R634 PolarHBondContact O-N 2.81Å |
| 631 | H | 91.5 | Very high | 90 | Very high | 6 Ų | 6 | 89.6 Ų | 89.6 | 3% | 0.028 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.7 | -31.5 | 175.5 | -68.4 | -167.3 | 0 | 0 | 0 | 112.7 | M627 Q629 R634 R635 N717 E720 | M627-H631 VanDerWaalsContact O-CB 3.22Å; M627-H631 WeakPolarHBondContact O-CB 3.3Å; M627-H631 PolarHBondContact O-CD2 3.37Å; M627-H631 PolarHBondContact O-N 2.91Å; Q629-H631 VanDerWaalsContact C-N 3.3Å; Q629-H631 PolarHBondContact O-N 3.47Å; H631-R634 PolarHBondContact CD2-NH2 2.85Å; H631-R634 PolarHBondContact NE2-NH2 3.22Å; H631-R634 VanDerWaalsContact NE2-NH2 3.15Å; H631-R635 WeakPolarHBondContact O-CB 3.5Å; H631-R635 VanDerWaalsContact O-CG 3.3Å; H631-R635 WeakPolarHBondContact O-CG 3.34Å; H631-R635 PolarHBondContact O-N 3.19Å; H631-R635 PolarHBondContact O-NE 2.56Å; H631-N717 HydrophobicContact CB-CB 4.4Å; H631-N717 PolarHBondContact CD2-OD1 3.48Å; H631-N717 PolarHBondContact CE1-O 3.35Å; H631-N717 VanDerWaalsContact CG-OD1 3.31Å; H631-N717 VanDerWaalsContact ND1-CB 3.32Å; H631-N717 WeakPolarHBondContact ND1-CB 3.37Å; H631-E720 IonicContact CD2-OE2 3.65Å; H631-E720 IonicContact CE1-OE2 3.52Å; H631-E720 IonicContact NE2-OE2 3.03Å; H631-E720 PolarHBondContact NE2-OE2 2.88Å |
| 632 | A | 89 | Confident | 89.8 | Confident | 22 Ų | 22 | 83.9 Ų | 83.9 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.7 | -34 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | E628 Q629 D630 R636 | E628-A632 WeakPolarHBondContact O-CB 3.44Å; E628-A632 PolarHBondContact O-N 3.2Å; Q629-A632 WeakPolarHBondContact O-CA 3.2Å; Q629-A632 WeakPolarHBondContact O-CB 3.49Å; Q629-A632 PolarHBondContact O-N 3.09Å; D630-A632 VanDerWaalsContact C-N 3.32Å; D630-A632 PolarHBondContact O-N 3.42Å; A632-R636 VanDerWaalsContact O-CG 3.28Å; A632-R636 WeakPolarHBondContact O-CG 3.36Å; A632-R636 PolarHBondContact O-N 3.31Å |
| 633 | V | 91.9 | Very high | 89.5 | Confident | 61 Ų | 61 | 85.8 Ų | 85.8 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.9 | -54.6 | 172 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | Q629 D630 R635 R636 E637 | Q629-V633 PolarHBondContact O-N 3.13Å; D630-V633 PolarHBondContact O-N 3.43Å; D630-V633 VanDerWaalsContact O-N 3.15Å; V633-R635 VanDerWaalsContact C-N 3.26Å; V633-R635 PolarHBondContact O-N 2.99Å; V633-R636 WeakPolarHBondContact O-CA 3.19Å; V633-R636 WeakPolarHBondContact O-CB 3.21Å; V633-R636 PolarHBondContact O-N 3.32Å; V633-E637 HydrophobicContact CG1-CG 4.31Å; V633-E637 PolarHBondContact O-N 2.69Å |
| 634 | R | 88.8 | Confident | 89.5 | Confident | 98 Ų | 98 | 86 Ų | 86 | 37% | 0.37 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -53.3 | -41.8 | 179.1 | -65.2 | -167.4 | -52.8 | -148.3 | 12.2 | 112.1 | D630 H631 R636 E637 E638 N717 E720 | D630-R634 WeakPolarHBondContact O-CG 3.37Å; D630-R634 PolarHBondContact O-N 2.81Å; H631-R634 PolarHBondContact CD2-NH2 2.85Å; H631-R634 PolarHBondContact NE2-NH2 3.22Å; H631-R634 VanDerWaalsContact NE2-NH2 3.15Å; R634-R636 PolarHBondContact O-N 3.2Å; R634-E637 PolarHBondContact O-N 3.23Å; R634-E638 PolarHBondContact O-N 2.83Å; R634-N717 PolarHBondContact NH2-OD1 2.87Å; R634-E720 IonicContact CZ-OE2 2.87Å; R634-E720 IonicContact NH1-OE1 3.82Å; R634-E720 IonicContact NH1-OE2 2.81Å; R634-E720 PolarHBondContact NH1-OE2 3.46Å; R634-E720 IonicContact NH2-OE2 3.24Å; R634-E720 PolarHBondContact NH2-OE2 3.04Å |
| 635 | R | 85.9 | Confident | 89.5 | Confident | 100 Ų | 100 | 89.9 Ų | 89.9 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 174.7 | -78.5 | 179.6 | -67.1 | 159.9 | -3.1 | 114.2 | H631 V633 A639 L713 | H631-R635 WeakPolarHBondContact O-CB 3.5Å; H631-R635 VanDerWaalsContact O-CG 3.3Å; H631-R635 WeakPolarHBondContact O-CG 3.34Å; H631-R635 PolarHBondContact O-N 3.19Å; H631-R635 PolarHBondContact O-NE 2.56Å; V633-R635 VanDerWaalsContact C-N 3.26Å; V633-R635 PolarHBondContact O-N 2.99Å; R635-A639 WeakPolarHBondContact O-CB 3.32Å; R635-A639 PolarHBondContact O-N 2.84Å; R635-L713 HydrophobicContact CB-CD2 4.45Å; R635-L713 HydrophobicContact CG-CD2 3.82Å; R635-L713 HydrophobicContact CG-CG 4.1Å |
| 636 | R | 88.1 | Confident | 89.3 | Confident | 167 Ų | 167 | 86.9 Ų | 86.9 | 63% | 0.63 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -71.8 | -36.3 | 175.4 | -68.9 | 168.8 | -161.6 | 167.8 | 6.6 | 111.6 | A632 V633 R634 K640 | A632-R636 VanDerWaalsContact O-CG 3.28Å; A632-R636 WeakPolarHBondContact O-CG 3.36Å; A632-R636 PolarHBondContact O-N 3.31Å; V633-R636 WeakPolarHBondContact O-CA 3.19Å; V633-R636 WeakPolarHBondContact O-CB 3.21Å; V633-R636 PolarHBondContact O-N 3.32Å; R634-R636 PolarHBondContact O-N 3.2Å; R636-K640 VanDerWaalsContact O-CG 3.3Å; R636-K640 WeakPolarHBondContact O-CG 3.39Å; R636-K640 PolarHBondContact O-N 3.45Å; R636-K640 VanDerWaalsContact O-N 3.14Å |
| 637 | E | 89.8 | Confident | 89.1 | Confident | 113 Ų | 113 | 85.8 Ų | 85.8 | 53% | 0.528 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.6 | -44.9 | -178.1 | -68 | -178.3 | 159.3 | 0 | 0 | 111.8 | V633 R634 A639 K640 R641 | V633-E637 HydrophobicContact CG1-CG 4.31Å; V633-E637 PolarHBondContact O-N 2.69Å; R634-E637 PolarHBondContact O-N 3.23Å; E637-A639 VanDerWaalsContact C-N 3.34Å; E637-A639 PolarHBondContact O-N 3.44Å; E637-K640 WeakPolarHBondContact O-CB 3.48Å; E637-K640 PolarHBondContact O-N 2.95Å; E637-K640 VanDerWaalsContact O-N 3.09Å; E637-R641 PolarHBondContact O-N 3.36Å |
| 638 | E | 87.4 | Confident | 89.1 | Confident | 61 Ų | 61 | 91.8 Ų | 91.8 | 29% | 0.285 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 175.7 | -154 | 64.3 | -167.9 | 0 | 0 | 111.3 | R634 K640 R641 I642 L713 | R634-E638 PolarHBondContact O-N 2.83Å; E638-K640 VanDerWaalsContact C-N 3.27Å; E638-K640 PolarHBondContact O-N 3.27Å; E638-R641 WeakPolarHBondContact O-CB 3.47Å; E638-R641 PolarHBondContact O-N 3.3Å; E638-R641 VanDerWaalsContact O-N 3.12Å; E638-R641 WeakPolarHBondContact OE1-CD 3.36Å; E638-R641 IonicContact OE1-CZ 2.66Å; E638-R641 IonicContact OE1-NE 2.67Å; E638-R641 IonicContact OE1-NH1 2.81Å; E638-R641 PolarHBondContact OE1-NH1 3.26Å; E638-R641 IonicContact OE2-CZ 3.56Å; E638-R641 VanDerWaalsContact OE2-CZ 3.24Å; E638-R641 IonicContact OE2-NE 3.85Å; E638-R641 IonicContact OE2-NH1 3.2Å; E638-R641 PolarHBondContact OE2-NH1 2.99Å; E638-R641 IonicContact OE2-NH2 2.93Å; E638-I642 HydrophobicContact CG-CD1 4.18Å; E638-I642 VanDerWaalsContact O-CG1 3.31Å; E638-I642 WeakPolarHBondContact O-CG1 3.31Å; E638-I642 PolarHBondContact O-N 3.35Å; E638-L713 HydrophobicContact CB-CD2 3.86Å; E638-L713 HydrophobicContact CG-CD2 4.33Å |
| 639 | A | 86.7 | Confident | 89.1 | Confident | 20 Ų | 20 | 89.2 Ų | 89.2 | 17% | 0.165 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.6 | -26.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R635 E637 R643 M710 | R635-A639 WeakPolarHBondContact O-CB 3.32Å; R635-A639 PolarHBondContact O-N 2.84Å; E637-A639 VanDerWaalsContact C-N 3.34Å; E637-A639 PolarHBondContact O-N 3.44Å; A639-R643 WeakPolarHBondContact O-CD 3.33Å; A639-R643 VanDerWaalsContact O-CG 3.25Å; A639-R643 WeakPolarHBondContact O-CG 3.46Å; A639-R643 PolarHBondContact O-N 2.91Å; A639-M710 HydrophobicContact CB-CE 4.09Å; A639-M710 HydrophobicContact CB-SD 4.26Å |
| 640 | K | 89.5 | Confident | 88.9 | Confident | 148 Ų | 148 | 89 Ų | 89 | 64% | 0.643 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -74.9 | -42.2 | 169.1 | -74.2 | 168.5 | -179.3 | 179.6 | 0 | 111.2 | R636 E637 E638 R643 L644 | R636-K640 VanDerWaalsContact O-CG 3.3Å; R636-K640 WeakPolarHBondContact O-CG 3.39Å; R636-K640 PolarHBondContact O-N 3.45Å; R636-K640 VanDerWaalsContact O-N 3.14Å; E637-K640 WeakPolarHBondContact O-CB 3.48Å; E637-K640 PolarHBondContact O-N 2.95Å; E637-K640 VanDerWaalsContact O-N 3.09Å; E638-K640 VanDerWaalsContact C-N 3.27Å; E638-K640 PolarHBondContact O-N 3.27Å; K640-R643 PolarHBondContact O-N 2.7Å; K640-L644 PolarHBondContact O-N 3.42Å; K640-L644 VanDerWaalsContact O-N 3.09Å |
| 641 | R | 90.1 | Very high | 88.9 | Confident | 151 Ų | 151 | 88.5 Ų | 88.5 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.8 | -51.3 | 177.9 | -176.8 | -170.8 | -70.4 | 173.4 | -7 | 111.3 | E637 E638 R643 L644 E645 | E637-R641 PolarHBondContact O-N 3.36Å; E638-R641 WeakPolarHBondContact O-CB 3.47Å; E638-R641 PolarHBondContact O-N 3.3Å; E638-R641 VanDerWaalsContact O-N 3.12Å; E638-R641 WeakPolarHBondContact OE1-CD 3.36Å; E638-R641 IonicContact OE1-CZ 2.66Å; E638-R641 IonicContact OE1-NE 2.67Å; E638-R641 IonicContact OE1-NH1 2.81Å; E638-R641 PolarHBondContact OE1-NH1 3.26Å; E638-R641 IonicContact OE2-CZ 3.56Å; E638-R641 VanDerWaalsContact OE2-CZ 3.24Å; E638-R641 IonicContact OE2-NE 3.85Å; E638-R641 IonicContact OE2-NH1 3.2Å; E638-R641 PolarHBondContact OE2-NH1 2.99Å; E638-R641 IonicContact OE2-NH2 2.93Å; R641-R643 VanDerWaalsContact C-N 3.3Å; R641-R643 PolarHBondContact O-N 3.15Å; R641-L644 WeakPolarHBondContact O-CB 3.34Å; R641-L644 PolarHBondContact O-N 3.02Å; R641-L644 VanDerWaalsContact O-N 3.14Å; R641-E645 PolarHBondContact O-N 2.9Å |
| 642 | I | 86.8 | Confident | 88.8 | Confident | 26 Ų | 26 | 94.7 Ų | 94.7 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | -178.6 | -62.5 | 161.3 | 0 | 0 | 0 | 110.7 | E638 E645 Q646 L706 A709 | E638-I642 HydrophobicContact CG-CD1 4.18Å; E638-I642 VanDerWaalsContact O-CG1 3.31Å; E638-I642 WeakPolarHBondContact O-CG1 3.31Å; E638-I642 PolarHBondContact O-N 3.35Å; I642-E645 PolarHBondContact O-N 3.16Å; I642-Q646 HydrophobicContact CG2-CG 4.23Å; I642-Q646 WeakPolarHBondContact O-CB 3.48Å; I642-Q646 VanDerWaalsContact O-CG 3.27Å; I642-Q646 WeakPolarHBondContact O-CG 3.49Å; I642-Q646 PolarHBondContact O-N 3.03Å; I642-L706 HydrophobicContact CB-CD1 4.22Å; I642-L706 HydrophobicContact CD1-CD1 4.03Å; I642-L706 HydrophobicContact CG2-CB 4.28Å; I642-L706 HydrophobicContact CG2-CD1 3.72Å; I642-A709 HydrophobicContact CD1-CB 3.75Å |
| 643 | R | 87.2 | Confident | 88.9 | Confident | 165 Ų | 165 | 94.6 Ų | 94.6 | 62% | 0.623 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 174 | -73.9 | 173.7 | -174.1 | -141 | 0.7 | 112.6 | A639 K640 R641 E645 Q646 D647 | A639-R643 WeakPolarHBondContact O-CD 3.33Å; A639-R643 VanDerWaalsContact O-CG 3.25Å; A639-R643 WeakPolarHBondContact O-CG 3.46Å; A639-R643 PolarHBondContact O-N 2.91Å; K640-R643 PolarHBondContact O-N 2.7Å; R641-R643 VanDerWaalsContact C-N 3.3Å; R641-R643 PolarHBondContact O-N 3.15Å; R643-E645 PolarHBondContact O-N 3.14Å; R643-Q646 PolarHBondContact O-N 3.24Å; R643-D647 PolarHBondContact O-N 2.81Å |
| 644 | L | 90.1 | Very high | 88.7 | Confident | 96 Ų | 96 | 93.7 Ų | 93.7 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.4 | -33.1 | 177.6 | -167 | 80.3 | 0 | 0 | 0 | 112.1 | K640 R641 R648 | K640-L644 PolarHBondContact O-N 3.42Å; K640-L644 VanDerWaalsContact O-N 3.09Å; R641-L644 WeakPolarHBondContact O-CB 3.34Å; R641-L644 PolarHBondContact O-N 3.02Å; R641-L644 VanDerWaalsContact O-N 3.14Å; L644-R648 WeakPolarHBondContact O-CD 3.42Å; L644-R648 VanDerWaalsContact O-CG 3.24Å; L644-R648 WeakPolarHBondContact O-CG 3.35Å; L644-R648 PolarHBondContact O-N 3.34Å |
| 645 | E | 89 | Confident | 88.7 | Confident | 102 Ų | 102 | 94.9 Ų | 94.9 | 48% | 0.477 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -75 | -43.2 | 174.9 | -169 | 140.2 | -122 | 0 | 0 | 111.8 | R641 I642 R643 D647 R648 D649 | R641-E645 PolarHBondContact O-N 2.9Å; I642-E645 PolarHBondContact O-N 3.16Å; R643-E645 PolarHBondContact O-N 3.14Å; E645-D647 VanDerWaalsContact C-N 3.34Å; E645-D647 PolarHBondContact O-N 3.02Å; E645-R648 WeakPolarHBondContact O-CB 3.34Å; E645-R648 PolarHBondContact O-N 3.41Å; E645-R648 VanDerWaalsContact O-N 3.15Å; E645-D649 PolarHBondContact O-N 3.06Å |
| 646 | Q | 87.3 | Confident | 88.8 | Confident | 35 Ų | 35 | 96.1 Ų | 96.1 | 16% | 0.164 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 173 | -75.4 | 172.5 | -33.4 | 0 | 0 | 112.2 | I642 R643 D649 Y650 Q702 | I642-Q646 HydrophobicContact CG2-CG 4.23Å; I642-Q646 WeakPolarHBondContact O-CB 3.48Å; I642-Q646 VanDerWaalsContact O-CG 3.27Å; I642-Q646 WeakPolarHBondContact O-CG 3.49Å; I642-Q646 PolarHBondContact O-N 3.03Å; R643-Q646 PolarHBondContact O-N 3.24Å; Q646-D649 PolarHBondContact O-N 3.23Å; Q646-Y650 VanDerWaalsContact O-CB 3.32Å; Q646-Y650 WeakPolarHBondContact O-CB 3.42Å; Q646-Y650 PolarHBondContact O-N 3.36Å; Q646-Q702 VanDerWaalsContact CA-NE2 3.32Å; Q646-Q702 HydrophobicContact CG-CB 4.37Å; Q646-Q702 HydrophobicContact CG-CG 4.28Å; Q646-Q702 PolarHBondContact NE2-O 3.21Å; Q646-Q702 PolarHBondContact O-NE2 3.39Å |
| 647 | D | 88.1 | Confident | 88.8 | Confident | 109 Ų | 109 | 88.6 Ų | 88.6 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 175.9 | -72.9 | -32.4 | 0 | 0 | 0 | 111.7 | R643 E645 A651 | R643-D647 PolarHBondContact O-N 2.81Å; E645-D647 VanDerWaalsContact C-N 3.34Å; E645-D647 PolarHBondContact O-N 3.02Å; D647-A651 PolarHBondContact O-N 2.91Å |
| 648 | R | 91.1 | Very high | 88.7 | Confident | 149 Ų | 149 | 90 Ų | 90 | 56% | 0.562 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 176.5 | -74.4 | 167.1 | 174.4 | -172.4 | -2.3 | 111.9 | L644 E645 A651 R652 | L644-R648 WeakPolarHBondContact O-CD 3.42Å; L644-R648 VanDerWaalsContact O-CG 3.24Å; L644-R648 WeakPolarHBondContact O-CG 3.35Å; L644-R648 PolarHBondContact O-N 3.34Å; E645-R648 WeakPolarHBondContact O-CB 3.34Å; E645-R648 PolarHBondContact O-N 3.41Å; E645-R648 VanDerWaalsContact O-N 3.15Å; R648-A651 WeakPolarHBondContact O-CB 3.38Å; R648-A651 PolarHBondContact O-N 2.93Å; R648-R652 WeakPolarHBondContact O-CG 3.4Å; R648-R652 PolarHBondContact O-N 3.04Å |
| 649 | D | 89.4 | Confident | 88.6 | Confident | 58 Ų | 58 | 92 Ų | 92 | 31% | 0.31 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.6 | -37 | 176.7 | -82.4 | -30.4 | 0 | 0 | 0 | 112.5 | E645 Q646 A651 R652 F653 F698 | E645-D649 PolarHBondContact O-N 3.06Å; Q646-D649 PolarHBondContact O-N 3.23Å; D649-A651 VanDerWaalsContact C-N 3.31Å; D649-A651 PolarHBondContact O-N 3.12Å; D649-R652 PolarHBondContact O-N 3.32Å; D649-R652 IonicContact OD1-CZ 2.68Å; D649-R652 IonicContact OD1-NE 3.91Å; D649-R652 PolarHBondContact OD1-NE 3.09Å; D649-R652 IonicContact OD1-NH2 3.76Å; D649-R652 PolarHBondContact OD1-NH2 3.39Å; D649-R652 IonicContact OD2-NH2 3.25Å; D649-F653 VanDerWaalsContact O-CB 3.27Å; D649-F653 WeakPolarHBondContact O-CB 3.35Å; D649-F653 PolarHBondContact O-N 2.97Å; D649-F698 HydrophobicContact CB-CZ 4.04Å |
| 650 | Y | 88.7 | Confident | 88.5 | Confident | 110 Ų | 110 | 93.7 Ų | 93.7 | 43% | 0.431 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 173.4 | -175.4 | -110 | 0 | 0 | 0 | 111.2 | Q646 F653 Q654 F698 | Q646-Y650 VanDerWaalsContact O-CB 3.32Å; Q646-Y650 WeakPolarHBondContact O-CB 3.42Å; Q646-Y650 PolarHBondContact O-N 3.36Å; Y650-F653 HydrophobicContact CD2-CD1 4.47Å; Y650-F653 PolarHBondContact O-N 3.25Å; Y650-Q654 HydrophobicContact CD1-CG 4.3Å; Y650-Q654 HydrophobicContact CE1-CG 3.99Å; Y650-Q654 HydrophobicContact CE2-CG 4.26Å; Y650-Q654 WeakPolarHBondContact O-CB 3.46Å; Y650-Q654 VanDerWaalsContact O-CG 3.3Å; Y650-Q654 WeakPolarHBondContact O-CG 3.29Å; Y650-Q654 PolarHBondContact O-N 2.86Å; Y650-Q654 PolarHBondContact OH-NE2 2.94Å; Y650-F698 HydrophobicContact CD2-CD1 4.33Å; Y650-F698 AromaticContact CD2-CE1 3.87Å; Y650-F698 HydrophobicContact CD2-CE1 3.87Å |
| 651 | A | 89.9 | Confident | 88.3 | Confident | 61 Ų | 61 | 91.8 Ų | 91.8 | 50% | 0.504 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D647 R648 D649 F653 Q654 E655 | D647-A651 PolarHBondContact O-N 2.91Å; R648-A651 WeakPolarHBondContact O-CB 3.38Å; R648-A651 PolarHBondContact O-N 2.93Å; D649-A651 VanDerWaalsContact C-N 3.31Å; D649-A651 PolarHBondContact O-N 3.12Å; A651-F653 PolarHBondContact O-N 2.91Å; A651-Q654 PolarHBondContact O-N 2.99Å; A651-E655 PolarHBondContact O-N 3.46Å; A651-E655 VanDerWaalsContact O-N 3.1Å |
| 652 | R | 90.1 | Very high | 88.1 | Confident | 137 Ų | 137 | 90.9 Ų | 90.9 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 174.7 | -71.9 | -170.1 | -86.2 | -129.6 | 6.5 | 112 | R648 D649 E655 Q656 | R648-R652 WeakPolarHBondContact O-CG 3.4Å; R648-R652 PolarHBondContact O-N 3.04Å; D649-R652 PolarHBondContact O-N 3.32Å; D649-R652 IonicContact OD1-CZ 2.68Å; D649-R652 IonicContact OD1-NE 3.91Å; D649-R652 PolarHBondContact OD1-NE 3.09Å; D649-R652 IonicContact OD1-NH2 3.76Å; D649-R652 PolarHBondContact OD1-NH2 3.39Å; D649-R652 IonicContact OD2-NH2 3.25Å; R652-E655 WeakPolarHBondContact O-CB 3.45Å; R652-E655 PolarHBondContact O-N 2.84Å; R652-Q656 PolarHBondContact O-N 2.99Å |
| 653 | F | 91.6 | Very high | 87.9 | Confident | 20 Ų | 20 | 95.6 Ų | 95.6 | 9% | 0.088 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 178.7 | 176.4 | -114.1 | 0 | 0 | 0 | 112.3 | D649 Y650 A651 E655 Q656 L657 L694 F698 | D649-F653 VanDerWaalsContact O-CB 3.27Å; D649-F653 WeakPolarHBondContact O-CB 3.35Å; D649-F653 PolarHBondContact O-N 2.97Å; Y650-F653 HydrophobicContact CD2-CD1 4.47Å; Y650-F653 PolarHBondContact O-N 3.25Å; A651-F653 PolarHBondContact O-N 2.91Å; F653-E655 PolarHBondContact O-N 3.13Å; F653-Q656 PolarHBondContact O-N 3.28Å; F653-L657 HydrophobicContact CD1-CD1 4.09Å; F653-L657 HydrophobicContact CE1-CD1 3.59Å; F653-L657 HydrophobicContact CE1-CG 4.34Å; F653-L657 HydrophobicContact CE2-CD1 4.3Å; F653-L657 HydrophobicContact CE2-CD2 4.28Å; F653-L657 HydrophobicContact CE2-CG 4.2Å; F653-L657 HydrophobicContact CZ-CD1 3.71Å; F653-L657 HydrophobicContact CZ-CD2 4.21Å; F653-L657 HydrophobicContact CZ-CG 4.09Å; F653-L657 WeakPolarHBondContact O-CG 3.35Å; F653-L657 PolarHBondContact O-N 2.98Å; F653-L694 HydrophobicContact CE2-CB 4.32Å; F653-L694 HydrophobicContact CZ-CB 4.03Å; F653-L694 WeakPolarHBondContact CZ-O 3.24Å; F653-F698 HydrophobicContact CB-CD2 4.04Å; F653-F698 HydrophobicContact CB-CE1 4.45Å; F653-F698 HydrophobicContact CB-CE2 3.63Å; F653-F698 HydrophobicContact CB-CZ 3.86Å; F653-F698 HydrophobicContact CD1-CB 4.26Å; F653-F698 AromaticContact CD1-CD1 3.86Å; F653-F698 HydrophobicContact CD1-CD1 3.86Å; F653-F698 AromaticContact CD1-CD2 3.95Å; F653-F698 HydrophobicContact CD1-CD2 3.95Å; F653-F698 HydrophobicContact CD1-CE1 4.18Å; F653-F698 HydrophobicContact CD1-CE2 4.26Å; F653-F698 AromaticContact CD1-CG 3.74Å; F653-F698 HydrophobicContact CD1-CG 3.74Å; F653-F698 HydrophobicContact CD1-CZ 4.37Å; F653-F698 AromaticContact CD2-CD2 3.77Å; F653-F698 HydrophobicContact CD2-CD2 3.77Å; F653-F698 HydrophobicContact CD2-CE2 4.2Å; F653-F698 HydrophobicContact CD2-CG 4.24Å; F653-F698 HydrophobicContact CE1-CB 3.85Å; F653-F698 HydrophobicContact CE1-CD1 4.15Å; F653-F698 HydrophobicContact CE1-CD2 4.34Å; F653-F698 AromaticContact CE1-CG 3.85Å; F653-F698 HydrophobicContact CE1-CG 3.85Å; F653-F698 HydrophobicContact CE2-CB 4.21Å; F653-F698 HydrophobicContact CE2-CD2 4.17Å; F653-F698 HydrophobicContact CE2-CG 4.34Å; F653-F698 HydrophobicContact CG-CD1 4.35Å; F653-F698 AromaticContact CG-CD2 3.65Å; F653-F698 HydrophobicContact CG-CD2 3.65Å; F653-F698 HydrophobicContact CG-CE1 4.47Å; F653-F698 AromaticContact CG-CE2 3.79Å; F653-F698 HydrophobicContact CG-CE2 3.79Å; F653-F698 AromaticContact CG-CG 3.95Å; F653-F698 HydrophobicContact CG-CG 3.95Å; F653-F698 HydrophobicContact CG-CZ 4.21Å; F653-F698 HydrophobicContact CZ-CB 3.82Å; F653-F698 HydrophobicContact CZ-CD2 4.44Å; F653-F698 HydrophobicContact CZ-CG 4.15Å |
| 654 | Q | 87.6 | Confident | 87.7 | Confident | 42 Ų | 42 | 88.7 Ų | 88.7 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.5 | -26.9 | 172.9 | -71.9 | -59.2 | -35.4 | 0 | 0 | 112.9 | Y650 A651 K658 | Y650-Q654 HydrophobicContact CD1-CG 4.3Å; Y650-Q654 HydrophobicContact CE1-CG 3.99Å; Y650-Q654 HydrophobicContact CE2-CG 4.26Å; Y650-Q654 WeakPolarHBondContact O-CB 3.46Å; Y650-Q654 VanDerWaalsContact O-CG 3.3Å; Y650-Q654 WeakPolarHBondContact O-CG 3.29Å; Y650-Q654 PolarHBondContact O-N 2.86Å; Y650-Q654 PolarHBondContact OH-NE2 2.94Å; A651-Q654 PolarHBondContact O-N 2.99Å; Q654-K658 WeakPolarHBondContact O-CD 3.23Å; Q654-K658 WeakPolarHBondContact O-CE 3.44Å; Q654-K658 VanDerWaalsContact O-CG 3.24Å; Q654-K658 WeakPolarHBondContact O-CG 3.34Å; Q654-K658 PolarHBondContact O-N 3.46Å |
| 655 | E | 89.2 | Confident | 87.3 | Confident | 122 Ų | 122 | 88.9 Ų | 88.9 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -74.5 | -44.5 | 171.6 | -172.7 | 160.5 | -143.3 | 0 | 0 | 112.4 | A651 R652 F653 L657 K658 L659 | A651-E655 PolarHBondContact O-N 3.46Å; A651-E655 VanDerWaalsContact O-N 3.1Å; R652-E655 WeakPolarHBondContact O-CB 3.45Å; R652-E655 PolarHBondContact O-N 2.84Å; F653-E655 PolarHBondContact O-N 3.13Å; E655-L657 VanDerWaalsContact C-N 3.3Å; E655-L657 PolarHBondContact O-N 3.16Å; E655-K658 WeakPolarHBondContact O-CB 3.21Å; E655-K658 PolarHBondContact O-N 3.33Å; E655-L659 WeakPolarHBondContact O-CG 3.34Å; E655-L659 PolarHBondContact O-N 3.18Å |
| 656 | Q | 88.3 | Confident | 87 | Confident | 126 Ų | 126 | 87.4 Ų | 87.4 | 59% | 0.589 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57 | -41.6 | 172.6 | -71.7 | -179 | -17.6 | 0 | 0 | 112.5 | R652 F653 K658 L659 M660 | R652-Q656 PolarHBondContact O-N 2.99Å; F653-Q656 PolarHBondContact O-N 3.28Å; Q656-K658 VanDerWaalsContact C-N 3.32Å; Q656-K658 PolarHBondContact O-N 2.98Å; Q656-L659 PolarHBondContact O-N 2.95Å; Q656-L659 VanDerWaalsContact O-N 3.17Å; Q656-M660 PolarHBondContact O-N 2.89Å |
| 657 | L | 86.9 | Confident | 86.6 | Confident | 10 Ų | 10 | 89.8 Ų | 89.8 | 5% | 0.052 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65 | -32.2 | 175.6 | -68.9 | 178.1 | 0 | 0 | 0 | 113.1 | F653 E655 K661 K691 L694 D695 | F653-L657 HydrophobicContact CD1-CD1 4.09Å; F653-L657 HydrophobicContact CE1-CD1 3.59Å; F653-L657 HydrophobicContact CE1-CG 4.34Å; F653-L657 HydrophobicContact CE2-CD1 4.3Å; F653-L657 HydrophobicContact CE2-CD2 4.28Å; F653-L657 HydrophobicContact CE2-CG 4.2Å; F653-L657 HydrophobicContact CZ-CD1 3.71Å; F653-L657 HydrophobicContact CZ-CD2 4.21Å; F653-L657 HydrophobicContact CZ-CG 4.09Å; F653-L657 WeakPolarHBondContact O-CG 3.35Å; F653-L657 PolarHBondContact O-N 2.98Å; E655-L657 VanDerWaalsContact C-N 3.3Å; E655-L657 PolarHBondContact O-N 3.16Å; L657-K661 WeakPolarHBondContact O-CB 3.34Å; L657-K661 PolarHBondContact O-N 3.48Å; L657-K661 VanDerWaalsContact O-N 3.11Å; L657-K691 HydrophobicContact CD1-CG 4.03Å; L657-K691 HydrophobicContact CD2-CG 4.14Å; L657-L694 HydrophobicContact CD2-CD1 4.39Å; L657-D695 WeakPolarHBondContact CD1-OD1 3.41Å |
| 658 | K | 87.2 | Confident | 86.2 | Confident | 143 Ų | 143 | 84.7 Ų | 84.7 | 62% | 0.622 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.4 | -38.6 | 172 | -69 | 162.1 | -164.8 | 166.4 | 0 | 111.3 | Q654 E655 Q656 K661 K662 | Q654-K658 WeakPolarHBondContact O-CD 3.23Å; Q654-K658 WeakPolarHBondContact O-CE 3.44Å; Q654-K658 VanDerWaalsContact O-CG 3.24Å; Q654-K658 WeakPolarHBondContact O-CG 3.34Å; Q654-K658 PolarHBondContact O-N 3.46Å; E655-K658 WeakPolarHBondContact O-CB 3.21Å; E655-K658 PolarHBondContact O-N 3.33Å; Q656-K658 VanDerWaalsContact C-N 3.32Å; Q656-K658 PolarHBondContact O-N 2.98Å; K658-K661 PolarHBondContact O-N 3.46Å; K658-K662 PolarHBondContact O-N 3.2Å |
| 659 | L | 86.1 | Confident | 85.5 | Confident | 103 Ų | 103 | 83.2 Ų | 83.2 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 177 | -68.6 | 171.2 | 0 | 0 | 0 | 111.5 | E655 Q656 K661 K662 E663 | E655-L659 WeakPolarHBondContact O-CG 3.34Å; E655-L659 PolarHBondContact O-N 3.18Å; Q656-L659 PolarHBondContact O-N 2.95Å; Q656-L659 VanDerWaalsContact O-N 3.17Å; L659-K661 VanDerWaalsContact C-N 3.29Å; L659-K661 PolarHBondContact O-N 3.35Å; L659-K662 WeakPolarHBondContact O-CA 3.46Å; L659-K662 WeakPolarHBondContact O-CB 3.4Å; L659-K662 PolarHBondContact O-N 3.49Å; L659-E663 PolarHBondContact O-N 2.99Å |
| 660 | M | 84.1 | Confident | 85 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.2 | -43 | 172 | -84.9 | -165.1 | 65.3 | 0 | 0 | 112.3 | Q656 K662 E663 V664 K690 L694 | Q656-M660 PolarHBondContact O-N 2.89Å; M660-K662 PolarHBondContact O-N 3.28Å; M660-E663 PolarHBondContact O-N 2.88Å; M660-V664 WeakPolarHBondContact O-CG2 3.39Å; M660-V664 PolarHBondContact O-N 3.2Å; M660-K690 HydrophobicContact CE-CD 4.17Å; M660-L694 HydrophobicContact SD-CD1 4.46Å |
| 661 | K | 85.8 | Confident | 84.3 | Confident | 109 Ų | 109 | 86.3 Ų | 86.3 | 47% | 0.474 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.9 | -28.6 | 177.7 | -168.2 | 173.5 | -176.6 | 174.1 | 0 | 113 | L657 K658 L659 K665 M684 H687 | L657-K661 WeakPolarHBondContact O-CB 3.34Å; L657-K661 PolarHBondContact O-N 3.48Å; L657-K661 VanDerWaalsContact O-N 3.11Å; K658-K661 PolarHBondContact O-N 3.46Å; L659-K661 VanDerWaalsContact C-N 3.29Å; L659-K661 PolarHBondContact O-N 3.35Å; K661-K665 WeakPolarHBondContact O-CG 3.34Å; K661-M684 HydrophobicContact CG-CE 4.03Å; K661-M684 HydrophobicContact CG-SD 4.46Å; K661-H687 WeakPolarHBondContact CA-NE2 3.47Å; K661-H687 PolarHBondContact N-NE2 3.07Å |
| 662 | K | 85.1 | Confident | 83.5 | Confident | 132 Ų | 132 | 87 Ų | 87 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -76.5 | -42.2 | 173.1 | -170.5 | -178.8 | -179.1 | -176.1 | 0 | 110.9 | K658 L659 M660 K665 N666 | K658-K662 PolarHBondContact O-N 3.2Å; L659-K662 WeakPolarHBondContact O-CA 3.46Å; L659-K662 WeakPolarHBondContact O-CB 3.4Å; L659-K662 PolarHBondContact O-N 3.49Å; M660-K662 PolarHBondContact O-N 3.28Å; K662-K665 WeakPolarHBondContact O-CB 3.15Å; K662-K665 PolarHBondContact O-N 2.9Å; K662-N666 PolarHBondContact O-N 2.7Å; K662-N666 PolarHBondContact O-OD1 3.37Å; K662-N666 VanDerWaalsContact O-OD1 3.14Å |
| 663 | E | 83.6 | Confident | 82.4 | Confident | 124 Ų | 124 | 91.2 Ų | 91.2 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 177.8 | -171.3 | 161.4 | -129 | 0 | 0 | 112.2 | L659 M660 K665 N666 E667 | L659-E663 PolarHBondContact O-N 2.99Å; M660-E663 PolarHBondContact O-N 2.88Å; E663-K665 VanDerWaalsContact C-N 3.26Å; E663-K665 PolarHBondContact O-N 3.07Å; E663-N666 CarbonylContact O-C 3.58Å; E663-N666 WeakPolarHBondContact O-CB 3.3Å; E663-N666 PolarHBondContact O-N 3.07Å; E663-E667 PolarHBondContact O-N 2.88Å |
| 664 | V | 83.3 | Confident | 81.5 | Confident | 21 Ų | 21 | 99.1 Ų | 99.1 | 13% | 0.127 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59.8 | -33.3 | 174.8 | 169.9 | 0 | 0 | 0 | 0 | 112.7 | M660 V668 K683 M684 | M660-V664 WeakPolarHBondContact O-CG2 3.39Å; M660-V664 PolarHBondContact O-N 3.2Å; V664-V668 WeakPolarHBondContact O-CG2 3.48Å; V664-V668 PolarHBondContact O-N 2.66Å; V664-K683 HydrophobicContact CG1-CB 3.83Å; V664-M684 HydrophobicContact CG1-CE 4.27Å |
| 665 | K | 81.4 | Confident | 80.7 | Confident | 99 Ų | 99 | 102.8 Ų | 102.8 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.5 | -49.7 | 170.4 | -73.7 | -179.6 | 171.2 | -164.4 | 0 | 111.6 | K661 K662 E663 E667 V668 E669 M680 M684 | K661-K665 WeakPolarHBondContact O-CG 3.34Å; K662-K665 WeakPolarHBondContact O-CB 3.15Å; K662-K665 PolarHBondContact O-N 2.9Å; E663-K665 VanDerWaalsContact C-N 3.26Å; E663-K665 PolarHBondContact O-N 3.07Å; K665-E667 PolarHBondContact O-N 2.63Å; K665-V668 PolarHBondContact O-N 3.05Å; K665-V668 VanDerWaalsContact O-N 3.07Å; K665-E669 WeakPolarHBondContact O-CG 3.5Å; K665-E669 PolarHBondContact O-N 3.36Å; K665-M680 HydrophobicContact CG-CE 4.08Å; K665-M684 HydrophobicContact CD-CE 4.45Å; K665-M684 HydrophobicContact CG-CE 3.64Å |
| 666 | N | 81.5 | Confident | 80.1 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 38% | 0.38 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.3 | -31.6 | 179.8 | -63.3 | -5.5 | 0 | 0 | 0 | 112.4 | K662 E663 K670 | K662-N666 PolarHBondContact O-N 2.7Å; K662-N666 PolarHBondContact O-OD1 3.37Å; K662-N666 VanDerWaalsContact O-OD1 3.14Å; E663-N666 CarbonylContact O-C 3.58Å; E663-N666 WeakPolarHBondContact O-CB 3.3Å; E663-N666 PolarHBondContact O-N 3.07Å; N666-K670 WeakPolarHBondContact O-CG 3.18Å |
| 667 | E | 80 | Confident | 79.4 | Confident | 86 Ų | 86 | 104.5 Ų | 104.5 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.6 | -49 | 171.7 | -72.7 | -168.3 | 145.5 | 0 | 0 | 112.3 | E663 K665 E669 K670 K683 | E663-E667 PolarHBondContact O-N 2.88Å; K665-E667 PolarHBondContact O-N 2.63Å; E667-E669 VanDerWaalsContact C-N 3.28Å; E667-E669 PolarHBondContact O-N 3.05Å; E667-K670 WeakPolarHBondContact O-CB 3.34Å; E667-K670 PolarHBondContact O-N 3.43Å; E667-K670 VanDerWaalsContact O-N 3.16Å; E667-K683 IonicContact OE2-NZ 2.64Å; E667-K683 PolarHBondContact OE2-NZ 2.88Å |
| 668 | V | 78.6 | Confident | 78.9 | Confident | 2 Ų | 2 | 111.6 Ų | 111.6 | 1% | 0.012 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -66.5 | -32.3 | -179.1 | 175 | 0 | 0 | 0 | 0 | 111.5 | V664 K665 K670 L671 R676 M680 K683 | V664-V668 WeakPolarHBondContact O-CG2 3.48Å; V664-V668 PolarHBondContact O-N 2.66Å; K665-V668 PolarHBondContact O-N 3.05Å; K665-V668 VanDerWaalsContact O-N 3.07Å; V668-K670 PolarHBondContact O-N 3.45Å; V668-L671 WeakPolarHBondContact O-CB 3.5Å; V668-L671 PolarHBondContact O-N 3.03Å; V668-R676 HydrophobicContact CG1-CB 4.36Å; V668-M680 HydrophobicContact CB-CE 4.31Å; V668-M680 HydrophobicContact CB-SD 4.21Å; V668-M680 HydrophobicContact CG1-CB 3.88Å; V668-M680 HydrophobicContact CG1-SD 3.96Å; V668-M680 HydrophobicContact CG2-CE 4.13Å; V668-K683 HydrophobicContact CG2-CB 4.21Å; V668-K683 HydrophobicContact CG2-CD 3.87Å; V668-K683 HydrophobicContact CG2-CG 4.46Å |
| 669 | E | 76.4 | Confident | 78.4 | Confident | 117 Ų | 117 | 106 Ų | 106 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -22 | 175 | -75.3 | 176.9 | -169.4 | 0 | 0 | 113.8 | K665 E667 L671 R676 | K665-E669 WeakPolarHBondContact O-CG 3.5Å; K665-E669 PolarHBondContact O-N 3.36Å; E667-E669 VanDerWaalsContact C-N 3.28Å; E667-E669 PolarHBondContact O-N 3.05Å; E669-L671 VanDerWaalsContact C-N 3.34Å; E669-R676 PolarHBondContact O-NH1 2.88Å; E669-R676 PolarHBondContact O-NH2 3.29Å |
| 670 | K | 79.1 | Confident | 78.3 | Confident | 175 Ų | 175 | 103.7 Ų | 103.7 | 76% | 0.761 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -13.6 | 175.3 | -68 | 168 | -175.4 | 177.7 | 0 | 113.7 | N666 E667 V668 | N666-K670 WeakPolarHBondContact O-CG 3.18Å; E667-K670 WeakPolarHBondContact O-CB 3.34Å; E667-K670 PolarHBondContact O-N 3.43Å; E667-K670 VanDerWaalsContact O-N 3.16Å; V668-K670 PolarHBondContact O-N 3.45Å |
| 671 | L | 75.3 | Confident | 78.2 | Confident | 58 Ų | 58 | 107.8 Ų | 107.8 | 30% | 0.304 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -77.8 | 162.2 | -177.1 | -65 | 174.1 | 0 | 0 | 0 | 113.3 | V668 E669 R676 S679 | V668-L671 WeakPolarHBondContact O-CB 3.5Å; V668-L671 PolarHBondContact O-N 3.03Å; E669-L671 VanDerWaalsContact C-N 3.34Å; L671-R676 HydrophobicContact CB-CG 4.36Å; L671-R676 VanDerWaalsContact O-CZ 3.24Å; L671-R676 PolarHBondContact O-NE 3.04Å; L671-R676 PolarHBondContact O-NH2 3.43Å; L671-S679 WeakPolarHBondContact CD1-OG 3.41Å |
| 672 | P | 72.3 | Confident | 78 | Confident | 76 Ų | 76 | 108 Ų | 108 | 49% | 0.494 | 50% | 0.495 | S | S | . | . | trans | -57.9 | 141.1 | 172.4 | -25.2 | 35.6 | 0 | 0 | 0 | 113 | Q674 Q675 R676 | P672-Q674 PolarHBondContact O-N 3.01Å; P672-Q675 PolarHBondContact O-N 3.35Å; P672-R676 PolarHBondContact O-N 2.97Å | ||
| 673 | R | 66.1 | Low | 77.9 | Confident | 225 Ų | 225 | 104.8 Ų | 104.8 | 85% | 0.849 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.8 | -166.4 | -153.1 | 177.1 | -170.1 | 178.8 | 3.2 | 114.6 | ||
| 674 | Q | 72.8 | Confident | 77.9 | Confident | 186 Ų | 186 | 100.7 Ų | 100.7 | 87% | 0.869 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -37.1 | 177.3 | -71.7 | 161.1 | -35.7 | 0 | 0 | 113.2 | P672 | P672-Q674 PolarHBondContact O-N 3.01Š|
| 675 | Q | 71.9 | Confident | 77.8 | Confident | 119 Ų | 119 | 104.5 Ų | 104.5 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -18.6 | -175 | -69.1 | 172.8 | -17.2 | 0 | 0 | 113.3 | P672 K677 E678 S679 | P672-Q675 PolarHBondContact O-N 3.35Å; Q675-K677 VanDerWaalsContact C-N 3.34Å; Q675-K677 PolarHBondContact O-N 2.93Å; Q675-E678 PolarHBondContact O-N 3.11Å; Q675-S679 WeakPolarHBondContact O-CB 3.45Å; Q675-S679 PolarHBondContact O-N 2.67Å; Q675-S679 VanDerWaalsContact O-N 3.12Å |
| 676 | R | 75.5 | Confident | 78 | Confident | 97 Ų | 97 | 104 Ų | 104 | 37% | 0.366 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.4 | -41.2 | -173.6 | -63.8 | -173.2 | -170.4 | -175 | -2.2 | 113.7 | V668 E669 L671 P672 E678 M680 | V668-R676 HydrophobicContact CG1-CB 4.36Å; E669-R676 PolarHBondContact O-NH1 2.88Å; E669-R676 PolarHBondContact O-NH2 3.29Å; L671-R676 HydrophobicContact CB-CG 4.36Å; L671-R676 VanDerWaalsContact O-CZ 3.24Å; L671-R676 PolarHBondContact O-NE 3.04Å; L671-R676 PolarHBondContact O-NH2 3.43Å; P672-R676 PolarHBondContact O-N 2.97Å; R676-E678 PolarHBondContact O-N 3.33Å; R676-M680 WeakPolarHBondContact O-CA 3.46Å; R676-M680 WeakPolarHBondContact O-CB 3.49Å; R676-M680 PolarHBondContact O-N 3.35Å |
| 677 | K | 75.3 | Confident | 78.2 | Confident | 188 Ų | 188 | 101.3 Ų | 101.3 | 82% | 0.817 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | -173.1 | -173.2 | -178.4 | 177.7 | -173.8 | 0 | 112.4 | Q675 K681 | Q675-K677 VanDerWaalsContact C-N 3.34Å; Q675-K677 PolarHBondContact O-N 2.93Å; K677-K681 PolarHBondContact O-N 2.94Å |
| 678 | E | 76 | Confident | 78.5 | Confident | 158 Ų | 158 | 100.5 Ų | 100.5 | 74% | 0.738 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -79.5 | -45.6 | -177.6 | -168.9 | 154.9 | -132.4 | 0 | 0 | 111.1 | Q675 R676 M680 K681 Q682 | Q675-E678 PolarHBondContact O-N 3.11Å; R676-E678 PolarHBondContact O-N 3.33Å; E678-M680 VanDerWaalsContact C-N 3.3Å; E678-M680 PolarHBondContact O-N 3.05Å; E678-K681 WeakPolarHBondContact O-CB 3.24Å; E678-K681 PolarHBondContact O-N 2.87Å; E678-K681 VanDerWaalsContact O-N 3.09Å; E678-Q682 PolarHBondContact O-N 3.28Å |
| 679 | S | 77.1 | Confident | 78.8 | Confident | 26 Ų | 26 | 106.4 Ų | 106.4 | 18% | 0.182 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -61.4 | -35.7 | 174.1 | -172.5 | 0 | 0 | 0 | 0 | 112.7 | L671 Q675 K681 Q682 K683 | L671-S679 WeakPolarHBondContact CD1-OG 3.41Å; Q675-S679 WeakPolarHBondContact O-CB 3.45Å; Q675-S679 PolarHBondContact O-N 2.67Å; Q675-S679 VanDerWaalsContact O-N 3.12Å; S679-K681 VanDerWaalsContact C-N 3.32Å; S679-K681 PolarHBondContact O-N 3.16Å; S679-Q682 PolarHBondContact O-N 2.91Å; S679-K683 WeakPolarHBondContact O-CB 3.43Å; S679-K683 PolarHBondContact O-N 2.87Å |
| 680 | M | 82.4 | Confident | 79.4 | Confident | 55 Ų | 55 | 106.7 Ų | 106.7 | 27% | 0.271 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 174.2 | -171 | 79 | -93.6 | 0 | 0 | 111.9 | K665 V668 R676 E678 M684 | K665-M680 HydrophobicContact CG-CE 4.08Å; V668-M680 HydrophobicContact CB-CE 4.31Å; V668-M680 HydrophobicContact CB-SD 4.21Å; V668-M680 HydrophobicContact CG1-CB 3.88Å; V668-M680 HydrophobicContact CG1-SD 3.96Å; V668-M680 HydrophobicContact CG2-CE 4.13Å; R676-M680 WeakPolarHBondContact O-CA 3.46Å; R676-M680 WeakPolarHBondContact O-CB 3.49Å; R676-M680 PolarHBondContact O-N 3.35Å; E678-M680 VanDerWaalsContact C-N 3.3Å; E678-M680 PolarHBondContact O-N 3.05Å; M680-M684 HydrophobicContact CE-CE 3.59Å; M680-M684 HydrophobicContact CE-CG 3.58Å; M680-M684 HydrophobicContact CE-SD 4.47Å; M680-M684 VanDerWaalsContact O-CB 3.26Å; M680-M684 WeakPolarHBondContact O-CB 3.38Å; M680-M684 VanDerWaalsContact O-CG 3.31Å; M680-M684 WeakPolarHBondContact O-CG 3.31Å; M680-M684 PolarHBondContact O-N 3.16Å |
| 681 | K | 81.8 | Confident | 79.8 | Confident | 139 Ų | 139 | 101.4 Ų | 101.4 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.4 | -56.7 | 176.2 | -170.9 | -163.3 | 171.3 | -156.5 | 0 | 109.7 | K677 E678 S679 K683 M684 E685 | K677-K681 PolarHBondContact O-N 2.94Å; E678-K681 WeakPolarHBondContact O-CB 3.24Å; E678-K681 PolarHBondContact O-N 2.87Å; E678-K681 VanDerWaalsContact O-N 3.09Å; S679-K681 VanDerWaalsContact C-N 3.32Å; S679-K681 PolarHBondContact O-N 3.16Å; K681-K683 PolarHBondContact O-N 3.26Å; K681-M684 PolarHBondContact O-N 3.36Å; K681-M684 VanDerWaalsContact O-N 3.16Å; K681-E685 VanDerWaalsContact CE-OE2 3.28Å; K681-E685 WeakPolarHBondContact CE-OE2 3.43Å; K681-E685 IonicContact NZ-OE2 3.71Å; K681-E685 WeakPolarHBondContact O-CB 3.41Å; K681-E685 PolarHBondContact O-N 3.5Å |
| 682 | Q | 83.4 | Confident | 80.4 | Confident | 114 Ų | 114 | 104.6 Ų | 104.6 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.4 | -52.9 | -177.4 | -179 | 178.9 | -9.9 | 0 | 0 | 111.8 | E678 S679 M684 E685 E686 | E678-Q682 PolarHBondContact O-N 3.28Å; S679-Q682 PolarHBondContact O-N 2.91Å; Q682-M684 VanDerWaalsContact C-N 3.28Å; Q682-M684 PolarHBondContact O-N 3.36Å; Q682-E685 PolarHBondContact O-N 3.37Å; Q682-E685 VanDerWaalsContact O-N 3.08Å; Q682-E686 HydrophobicContact CG-CG 4.37Å; Q682-E686 VanDerWaalsContact CG-OE1 3.26Å; Q682-E686 WeakPolarHBondContact CG-OE1 3.44Å; Q682-E686 PolarHBondContact NE2-OE1 2.98Å; Q682-E686 WeakPolarHBondContact O-CB 3.44Å; Q682-E686 WeakPolarHBondContact O-CG 3.38Å; Q682-E686 PolarHBondContact O-N 3.42Å |
| 683 | K | 82.3 | Confident | 81.2 | Confident | 65 Ų | 65 | 105.4 Ų | 105.4 | 28% | 0.283 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -25.8 | 180 | -79.1 | -163.9 | 163.7 | -170.8 | 0 | 113.8 | V664 E667 V668 S679 K681 H687 | V664-K683 HydrophobicContact CG1-CB 3.83Å; E667-K683 IonicContact OE2-NZ 2.64Å; E667-K683 PolarHBondContact OE2-NZ 2.88Å; V668-K683 HydrophobicContact CG2-CB 4.21Å; V668-K683 HydrophobicContact CG2-CD 3.87Å; V668-K683 HydrophobicContact CG2-CG 4.46Å; S679-K683 WeakPolarHBondContact O-CB 3.43Å; S679-K683 PolarHBondContact O-N 2.87Å; K681-K683 PolarHBondContact O-N 3.26Å; K683-H687 WeakPolarHBondContact O-CB 3.49Å; K683-H687 PolarHBondContact O-N 3.48Å |
| 684 | M | 82.8 | Confident | 82.3 | Confident | 38 Ų | 38 | 97.5 Ų | 97.5 | 19% | 0.187 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -76.7 | -32.1 | 171.3 | -81.4 | -76.3 | 155.6 | 0 | 0 | 112.8 | K661 V664 K665 M680 K681 Q682 T688 | K661-M684 HydrophobicContact CG-CE 4.03Å; K661-M684 HydrophobicContact CG-SD 4.46Å; V664-M684 HydrophobicContact CG1-CE 4.27Å; K665-M684 HydrophobicContact CD-CE 4.45Å; K665-M684 HydrophobicContact CG-CE 3.64Å; M680-M684 HydrophobicContact CE-CE 3.59Å; M680-M684 HydrophobicContact CE-CG 3.58Å; M680-M684 HydrophobicContact CE-SD 4.47Å; M680-M684 VanDerWaalsContact O-CB 3.26Å; M680-M684 WeakPolarHBondContact O-CB 3.38Å; M680-M684 VanDerWaalsContact O-CG 3.31Å; M680-M684 WeakPolarHBondContact O-CG 3.31Å; M680-M684 PolarHBondContact O-N 3.16Å; K681-M684 PolarHBondContact O-N 3.36Å; K681-M684 VanDerWaalsContact O-N 3.16Å; Q682-M684 VanDerWaalsContact C-N 3.28Å; Q682-M684 PolarHBondContact O-N 3.36Å; M684-T688 VanDerWaalsContact O-CB 3.31Å; M684-T688 WeakPolarHBondContact O-CB 3.43Å; M684-T688 PolarHBondContact O-N 2.88Å; M684-T688 PolarHBondContact O-OG1 2.74Å |
| 685 | E | 82.9 | Confident | 83 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.5 | -46.9 | 176.5 | -159.4 | 147.6 | -162.3 | 0 | 0 | 109.9 | K681 Q682 T688 Q689 | K681-E685 VanDerWaalsContact CE-OE2 3.28Å; K681-E685 WeakPolarHBondContact CE-OE2 3.43Å; K681-E685 IonicContact NZ-OE2 3.71Å; K681-E685 WeakPolarHBondContact O-CB 3.41Å; K681-E685 PolarHBondContact O-N 3.5Å; Q682-E685 PolarHBondContact O-N 3.37Å; Q682-E685 VanDerWaalsContact O-N 3.08Å; E685-T688 PolarHBondContact O-N 3.31Å; E685-T688 VanDerWaalsContact O-N 3.1Å; E685-Q689 WeakPolarHBondContact O-CG 3.27Å; E685-Q689 PolarHBondContact O-N 3.45Å |
| 686 | E | 84.6 | Confident | 83.8 | Confident | 88 Ų | 88 | 92.4 Ų | 92.4 | 41% | 0.411 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 168.8 | -69.9 | 170.1 | -178.1 | 0 | 0 | 112.3 | Q682 T688 Q689 K690 | Q682-E686 HydrophobicContact CG-CG 4.37Å; Q682-E686 VanDerWaalsContact CG-OE1 3.26Å; Q682-E686 WeakPolarHBondContact CG-OE1 3.44Å; Q682-E686 PolarHBondContact NE2-OE1 2.98Å; Q682-E686 WeakPolarHBondContact O-CB 3.44Å; Q682-E686 WeakPolarHBondContact O-CG 3.38Å; Q682-E686 PolarHBondContact O-N 3.42Å; E686-T688 VanDerWaalsContact C-N 3.26Å; E686-T688 PolarHBondContact O-N 3.03Å; E686-Q689 PolarHBondContact O-N 2.87Å; E686-K690 WeakPolarHBondContact O-CB 3.39Å; E686-K690 PolarHBondContact O-N 3.04Å |
| 687 | H | 86.8 | Confident | 84.5 | Confident | 15 Ų | 15 | 90.9 Ų | 90.9 | 7% | 0.069 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.1 | -34.4 | 174.5 | 174.9 | -71.3 | 0 | 0 | 0 | 111.8 | K661 K683 K691 | K661-H687 WeakPolarHBondContact CA-NE2 3.47Å; K661-H687 PolarHBondContact N-NE2 3.07Å; K683-H687 WeakPolarHBondContact O-CB 3.49Å; K683-H687 PolarHBondContact O-N 3.48Å; H687-K691 VanDerWaalsContact O-CB 3.26Å; H687-K691 WeakPolarHBondContact O-CB 3.43Å; H687-K691 PolarHBondContact O-N 3.41Å |
| 688 | T | 84.7 | Confident | 85.2 | Confident | 69 Ų | 69 | 84 Ų | 84 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.3 | -42.6 | 179.5 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | M684 E685 E686 K691 Q692 | M684-T688 VanDerWaalsContact O-CB 3.31Å; M684-T688 WeakPolarHBondContact O-CB 3.43Å; M684-T688 PolarHBondContact O-N 2.88Å; M684-T688 PolarHBondContact O-OG1 2.74Å; E685-T688 PolarHBondContact O-N 3.31Å; E685-T688 VanDerWaalsContact O-N 3.1Å; E686-T688 VanDerWaalsContact C-N 3.26Å; E686-T688 PolarHBondContact O-N 3.03Å; T688-K691 PolarHBondContact O-N 3.01Å; T688-Q692 WeakPolarHBondContact O-CG 3.07Å; T688-Q692 PolarHBondContact O-N 2.94Å |
| 689 | Q | 86.3 | Confident | 85.8 | Confident | 125 Ų | 125 | 80.6 Ų | 80.6 | 58% | 0.584 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.4 | -46.2 | 172.1 | -66 | 175.2 | 12.1 | 0 | 0 | 111.3 | E685 E686 K691 Q692 L693 | E685-Q689 WeakPolarHBondContact O-CG 3.27Å; E685-Q689 PolarHBondContact O-N 3.45Å; E686-Q689 PolarHBondContact O-N 2.87Å; Q689-K691 VanDerWaalsContact C-N 3.33Å; Q689-K691 PolarHBondContact O-N 3.39Å; Q689-Q692 PolarHBondContact O-N 3.14Å; Q689-L693 PolarHBondContact O-N 3.18Å |
| 690 | K | 87.3 | Confident | 86.4 | Confident | 124 Ų | 124 | 81.9 Ų | 81.9 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 176.3 | -172 | 171.1 | -179 | 176.8 | 0 | 112.2 | M660 E686 L694 | M660-K690 HydrophobicContact CE-CD 4.17Å; E686-K690 WeakPolarHBondContact O-CB 3.39Å; E686-K690 PolarHBondContact O-N 3.04Å; K690-L694 HydrophobicContact CG-CD1 4.07Å; K690-L694 WeakPolarHBondContact O-CB 3.21Å; K690-L694 VanDerWaalsContact O-CG 3.27Å; K690-L694 WeakPolarHBondContact O-CG 3.36Å; K690-L694 PolarHBondContact O-N 2.98Å |
| 691 | K | 88.3 | Confident | 86.7 | Confident | 63 Ų | 63 | 85.2 Ų | 85.2 | 27% | 0.274 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 172.8 | -172 | -161.5 | -179.3 | -57.7 | 0 | 111 | L657 H687 T688 Q689 L693 L694 D695 | L657-K691 HydrophobicContact CD1-CG 4.03Å; L657-K691 HydrophobicContact CD2-CG 4.14Å; H687-K691 VanDerWaalsContact O-CB 3.26Å; H687-K691 WeakPolarHBondContact O-CB 3.43Å; H687-K691 PolarHBondContact O-N 3.41Å; T688-K691 PolarHBondContact O-N 3.01Å; Q689-K691 VanDerWaalsContact C-N 3.33Å; Q689-K691 PolarHBondContact O-N 3.39Å; K691-L693 VanDerWaalsContact C-N 3.29Å; K691-L693 PolarHBondContact O-N 3.48Å; K691-L694 PolarHBondContact O-N 3.24Å; K691-D695 IonicContact NZ-OD1 2.81Å; K691-D695 PolarHBondContact NZ-OD1 2.79Å; K691-D695 IonicContact NZ-OD2 2.58Å; K691-D695 PolarHBondContact NZ-OD2 3.42Å; K691-D695 WeakPolarHBondContact O-CB 3.43Å; K691-D695 PolarHBondContact O-N 2.98Å |
| 692 | Q | 87.2 | Confident | 87 | Confident | 125 Ų | 125 | 80.1 Ų | 80.1 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.4 | -40 | 179.8 | -74.6 | 172.5 | -19.5 | 0 | 0 | 112.3 | T688 Q689 R696 | T688-Q692 WeakPolarHBondContact O-CG 3.07Å; T688-Q692 PolarHBondContact O-N 2.94Å; Q689-Q692 PolarHBondContact O-N 3.14Å; Q692-R696 WeakPolarHBondContact O-CB 3.37Å; Q692-R696 PolarHBondContact O-N 2.9Å |
| 693 | L | 89.6 | Confident | 87.1 | Confident | 93 Ų | 93 | 80.1 Ų | 80.1 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.9 | -44.2 | 177.5 | -165.4 | 146.6 | 0 | 0 | 0 | 111.5 | Q689 K691 R696 D697 | Q689-L693 PolarHBondContact O-N 3.18Å; K691-L693 VanDerWaalsContact C-N 3.29Å; K691-L693 PolarHBondContact O-N 3.48Å; L693-R696 PolarHBondContact O-N 2.79Å; L693-D697 VanDerWaalsContact CD2-OD2 3.27Å; L693-D697 WeakPolarHBondContact CD2-OD2 3.44Å; L693-D697 WeakPolarHBondContact O-CB 3.3Å; L693-D697 PolarHBondContact O-N 3.35Å |
| 694 | L | 89.7 | Confident | 87.5 | Confident | 59 Ų | 59 | 83.2 Ų | 83.2 | 31% | 0.309 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.1 | -70.9 | 170.3 | 0 | 0 | 0 | 112.9 | F653 L657 M660 K690 K691 R696 D697 F698 | F653-L694 HydrophobicContact CE2-CB 4.32Å; F653-L694 HydrophobicContact CZ-CB 4.03Å; F653-L694 WeakPolarHBondContact CZ-O 3.24Å; L657-L694 HydrophobicContact CD2-CD1 4.39Å; M660-L694 HydrophobicContact SD-CD1 4.46Å; K690-L694 HydrophobicContact CG-CD1 4.07Å; K690-L694 WeakPolarHBondContact O-CB 3.21Å; K690-L694 VanDerWaalsContact O-CG 3.27Å; K690-L694 WeakPolarHBondContact O-CG 3.36Å; K690-L694 PolarHBondContact O-N 2.98Å; K691-L694 PolarHBondContact O-N 3.24Å; L694-R696 VanDerWaalsContact C-N 3.33Å; L694-R696 PolarHBondContact O-N 3.24Å; L694-D697 PolarHBondContact O-N 3.33Å; L694-F698 WeakPolarHBondContact O-CB 3.33Å; L694-F698 PolarHBondContact O-N 3.06Å |
| 695 | D | 86.6 | Confident | 87.6 | Confident | 38 Ų | 38 | 85.2 Ų | 85.2 | 20% | 0.203 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 175.1 | -71.7 | -38.3 | 0 | 0 | 0 | 110.1 | L657 K691 V699 | L657-D695 WeakPolarHBondContact CD1-OD1 3.41Å; K691-D695 IonicContact NZ-OD1 2.81Å; K691-D695 PolarHBondContact NZ-OD1 2.79Å; K691-D695 IonicContact NZ-OD2 2.58Å; K691-D695 PolarHBondContact NZ-OD2 3.42Å; K691-D695 WeakPolarHBondContact O-CB 3.43Å; K691-D695 PolarHBondContact O-N 2.98Å; D695-V699 WeakPolarHBondContact O-CG2 3.48Å; D695-V699 PolarHBondContact O-N 3.26Å; D695-V699 VanDerWaalsContact O-N 3.1Å |
| 696 | R | 88.7 | Confident | 87.8 | Confident | 161 Ų | 161 | 82.6 Ų | 82.6 | 61% | 0.608 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62 | -49.2 | 178.8 | -174.9 | -162.2 | 70.5 | 172.8 | -0.3 | 111.4 | Q692 L693 L694 V699 A700 | Q692-R696 WeakPolarHBondContact O-CB 3.37Å; Q692-R696 PolarHBondContact O-N 2.9Å; L693-R696 PolarHBondContact O-N 2.79Å; L694-R696 VanDerWaalsContact C-N 3.33Å; L694-R696 PolarHBondContact O-N 3.24Å; R696-V699 PolarHBondContact O-N 3.07Å; R696-A700 WeakPolarHBondContact O-CB 3.23Å; R696-A700 PolarHBondContact O-N 3.19Å |
| 697 | D | 90.1 | Very high | 87.9 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 34% | 0.342 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -72.7 | -32 | -173.4 | -65.4 | -2.3 | 0 | 0 | 0 | 111.3 | L693 L694 K701 | L693-D697 VanDerWaalsContact CD2-OD2 3.27Å; L693-D697 WeakPolarHBondContact CD2-OD2 3.44Å; L693-D697 WeakPolarHBondContact O-CB 3.3Å; L693-D697 PolarHBondContact O-N 3.35Å; L694-D697 PolarHBondContact O-N 3.33Å; D697-K701 WeakPolarHBondContact O-CB 3.5Å; D697-K701 PolarHBondContact O-N 2.63Å |
| 698 | F | 91.9 | Very high | 88 | Confident | 45 Ų | 45 | 86.4 Ų | 86.4 | 20% | 0.197 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 169.9 | -179.2 | -87.8 | 0 | 0 | 0 | 112.1 | D649 Y650 F653 L694 K701 Q702 | D649-F698 HydrophobicContact CB-CZ 4.04Å; Y650-F698 HydrophobicContact CD2-CD1 4.33Å; Y650-F698 AromaticContact CD2-CE1 3.87Å; Y650-F698 HydrophobicContact CD2-CE1 3.87Å; F653-F698 HydrophobicContact CB-CD2 4.04Å; F653-F698 HydrophobicContact CB-CE1 4.45Å; F653-F698 HydrophobicContact CB-CE2 3.63Å; F653-F698 HydrophobicContact CB-CZ 3.86Å; F653-F698 HydrophobicContact CD1-CB 4.26Å; F653-F698 AromaticContact CD1-CD1 3.86Å; F653-F698 HydrophobicContact CD1-CD1 3.86Å; F653-F698 AromaticContact CD1-CD2 3.95Å; F653-F698 HydrophobicContact CD1-CD2 3.95Å; F653-F698 HydrophobicContact CD1-CE1 4.18Å; F653-F698 HydrophobicContact CD1-CE2 4.26Å; F653-F698 AromaticContact CD1-CG 3.74Å; F653-F698 HydrophobicContact CD1-CG 3.74Å; F653-F698 HydrophobicContact CD1-CZ 4.37Å; F653-F698 AromaticContact CD2-CD2 3.77Å; F653-F698 HydrophobicContact CD2-CD2 3.77Å; F653-F698 HydrophobicContact CD2-CE2 4.2Å; F653-F698 HydrophobicContact CD2-CG 4.24Å; F653-F698 HydrophobicContact CE1-CB 3.85Å; F653-F698 HydrophobicContact CE1-CD1 4.15Å; F653-F698 HydrophobicContact CE1-CD2 4.34Å; F653-F698 AromaticContact CE1-CG 3.85Å; F653-F698 HydrophobicContact CE1-CG 3.85Å; F653-F698 HydrophobicContact CE2-CB 4.21Å; F653-F698 HydrophobicContact CE2-CD2 4.17Å; F653-F698 HydrophobicContact CE2-CG 4.34Å; F653-F698 HydrophobicContact CG-CD1 4.35Å; F653-F698 AromaticContact CG-CD2 3.65Å; F653-F698 HydrophobicContact CG-CD2 3.65Å; F653-F698 HydrophobicContact CG-CE1 4.47Å; F653-F698 AromaticContact CG-CE2 3.79Å; F653-F698 HydrophobicContact CG-CE2 3.79Å; F653-F698 AromaticContact CG-CG 3.95Å; F653-F698 HydrophobicContact CG-CG 3.95Å; F653-F698 HydrophobicContact CG-CZ 4.21Å; F653-F698 HydrophobicContact CZ-CB 3.82Å; F653-F698 HydrophobicContact CZ-CD2 4.44Å; F653-F698 HydrophobicContact CZ-CG 4.15Å; L694-F698 WeakPolarHBondContact O-CB 3.33Å; L694-F698 PolarHBondContact O-N 3.06Å; F698-K701 PolarHBondContact O-N 2.79Å; F698-Q702 HydrophobicContact CD1-CG 4.36Å; F698-Q702 HydrophobicContact CE1-CG 3.88Å; F698-Q702 VanDerWaalsContact CE1-NE2 3.34Å; F698-Q702 HydrophobicContact CZ-CG 4.11Å; F698-Q702 PolarHBondContact O-N 3.34Å |
| 699 | V | 88.3 | Confident | 88.1 | Confident | 85 Ų | 85 | 84.8 Ų | 84.8 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 178.1 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | D695 R696 Q702 K703 | D695-V699 WeakPolarHBondContact O-CG2 3.48Å; D695-V699 PolarHBondContact O-N 3.26Å; D695-V699 VanDerWaalsContact O-N 3.1Å; R696-V699 PolarHBondContact O-N 3.07Å; V699-Q702 PolarHBondContact O-N 3.38Å; V699-K703 WeakPolarHBondContact O-CB 3.42Å; V699-K703 PolarHBondContact O-N 3.49Å |
| 700 | A | 88.7 | Confident | 88.1 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 44% | 0.438 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R696 K703 E704 | R696-A700 WeakPolarHBondContact O-CB 3.23Å; R696-A700 PolarHBondContact O-N 3.19Å; A700-K703 WeakPolarHBondContact O-CB 3.32Å; A700-K703 PolarHBondContact O-N 2.97Å; A700-E704 PolarHBondContact O-N 3.03Å |
| 701 | K | 89.5 | Confident | 88 | Confident | 125 Ų | 125 | 80.7 Ų | 80.7 | 54% | 0.543 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 176.8 | -171.2 | -173.7 | 175.1 | -165.6 | 0 | 112.3 | D697 F698 K703 E704 D705 | D697-K701 WeakPolarHBondContact O-CB 3.5Å; D697-K701 PolarHBondContact O-N 2.63Å; F698-K701 PolarHBondContact O-N 2.79Å; K701-K703 PolarHBondContact O-N 2.75Å; K701-E704 PolarHBondContact O-N 2.99Å; K701-E704 VanDerWaalsContact O-N 3.07Å; K701-D705 VanDerWaalsContact CE-OD2 3.24Å; K701-D705 WeakPolarHBondContact CE-OD2 3.44Å; K701-D705 PolarHBondContact O-N 3.19Å |
| 702 | Q | 86.9 | Confident | 88 | Confident | 33 Ų | 33 | 85.3 Ų | 85.3 | 15% | 0.154 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.3 | -32.7 | 177.2 | -80.3 | -162.3 | -22.1 | 0 | 0 | 112.6 | Q646 F698 V699 L706 | Q646-Q702 VanDerWaalsContact CA-NE2 3.32Å; Q646-Q702 HydrophobicContact CG-CB 4.37Å; Q646-Q702 HydrophobicContact CG-CG 4.28Å; Q646-Q702 PolarHBondContact NE2-O 3.21Å; Q646-Q702 PolarHBondContact O-NE2 3.39Å; F698-Q702 HydrophobicContact CD1-CG 4.36Å; F698-Q702 HydrophobicContact CE1-CG 3.88Å; F698-Q702 VanDerWaalsContact CE1-NE2 3.34Å; F698-Q702 HydrophobicContact CZ-CG 4.11Å; F698-Q702 PolarHBondContact O-N 3.34Å; V699-Q702 PolarHBondContact O-N 3.38Å; Q702-L706 WeakPolarHBondContact O-CB 3.39Å; Q702-L706 PolarHBondContact O-N 2.88Å |
| 703 | K | 86.9 | Confident | 88.1 | Confident | 114 Ų | 114 | 81 Ų | 81 | 50% | 0.496 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69 | -45.6 | 172.7 | -178 | -179.1 | 176.7 | -73.4 | 0 | 111.8 | V699 A700 K701 L706 E707 | V699-K703 WeakPolarHBondContact O-CB 3.42Å; V699-K703 PolarHBondContact O-N 3.49Å; A700-K703 WeakPolarHBondContact O-CB 3.32Å; A700-K703 PolarHBondContact O-N 2.97Å; K701-K703 PolarHBondContact O-N 2.75Å; K703-L706 PolarHBondContact O-N 2.66Å; K703-E707 VanDerWaalsContact CE-OE1 3.26Å; K703-E707 WeakPolarHBondContact CE-OE1 3.48Å; K703-E707 IonicContact NZ-OE1 2.63Å; K703-E707 PolarHBondContact NZ-OE1 3.34Å; K703-E707 IonicContact NZ-OE2 2.77Å; K703-E707 PolarHBondContact NZ-OE2 3.22Å; K703-E707 WeakPolarHBondContact O-CB 3.43Å; K703-E707 WeakPolarHBondContact O-CG 3.42Å; K703-E707 PolarHBondContact O-N 3.02Å |
| 704 | E | 89.3 | Confident | 87.9 | Confident | 129 Ų | 129 | 79.4 Ų | 79.4 | 60% | 0.603 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.5 | -47.9 | 177.9 | -175.3 | 177.6 | -171.2 | 0 | 0 | 112 | A700 K701 L706 E707 L708 | A700-E704 PolarHBondContact O-N 3.03Å; K701-E704 PolarHBondContact O-N 2.99Å; K701-E704 VanDerWaalsContact O-N 3.07Å; E704-L706 VanDerWaalsContact C-N 3.31Å; E704-L706 PolarHBondContact O-N 3.32Å; E704-E707 PolarHBondContact O-N 3.42Å; E704-L708 VanDerWaalsContact O-CB 3.29Å; E704-L708 WeakPolarHBondContact O-CB 3.33Å; E704-L708 PolarHBondContact O-N 3.48Å |
| 705 | D | 86.3 | Confident | 87.7 | Confident | 80 Ų | 80 | 79.4 Ų | 79.4 | 43% | 0.428 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 177.4 | -74.6 | -36.3 | 0 | 0 | 0 | 111.4 | K701 A709 | K701-D705 VanDerWaalsContact CE-OD2 3.24Å; K701-D705 WeakPolarHBondContact CE-OD2 3.44Å; K701-D705 PolarHBondContact O-N 3.19Å; D705-A709 VanDerWaalsContact O-CB 3.3Å; D705-A709 WeakPolarHBondContact O-CB 3.02Å; D705-A709 PolarHBondContact O-N 3.13Å |
| 706 | L | 86.4 | Confident | 87.8 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.9 | -44.8 | 175 | 171 | 64 | 0 | 0 | 0 | 112.5 | I642 Q702 K703 E704 L708 A709 M710 | I642-L706 HydrophobicContact CB-CD1 4.22Å; I642-L706 HydrophobicContact CD1-CD1 4.03Å; I642-L706 HydrophobicContact CG2-CB 4.28Å; I642-L706 HydrophobicContact CG2-CD1 3.72Å; Q702-L706 WeakPolarHBondContact O-CB 3.39Å; Q702-L706 PolarHBondContact O-N 2.88Å; K703-L706 PolarHBondContact O-N 2.66Å; E704-L706 VanDerWaalsContact C-N 3.31Å; E704-L706 PolarHBondContact O-N 3.32Å; L706-L708 VanDerWaalsContact C-N 3.32Å; L706-L708 PolarHBondContact O-N 3.33Å; L706-A709 PolarHBondContact O-N 3.1Å; L706-M710 HydrophobicContact CD1-CG 3.79Å; L706-M710 HydrophobicContact CG-CG 4.49Å; L706-M710 WeakPolarHBondContact O-CB 3.41Å; L706-M710 VanDerWaalsContact O-CG 3.23Å; L706-M710 WeakPolarHBondContact O-CG 3.5Å; L706-M710 PolarHBondContact O-N 3.08Å |
| 707 | E | 85.9 | Confident | 87.8 | Confident | 106 Ų | 106 | 73.9 Ų | 73.9 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 177.3 | -76.8 | 178 | 161.8 | 0 | 0 | 110.9 | K703 E704 K711 | K703-E707 VanDerWaalsContact CE-OE1 3.26Å; K703-E707 WeakPolarHBondContact CE-OE1 3.48Å; K703-E707 IonicContact NZ-OE1 2.63Å; K703-E707 PolarHBondContact NZ-OE1 3.34Å; K703-E707 IonicContact NZ-OE2 2.77Å; K703-E707 PolarHBondContact NZ-OE2 3.22Å; K703-E707 WeakPolarHBondContact O-CB 3.43Å; K703-E707 WeakPolarHBondContact O-CG 3.42Å; K703-E707 PolarHBondContact O-N 3.02Å; E704-E707 PolarHBondContact O-N 3.42Å; E707-K711 VanDerWaalsContact O-CB 3.22Å; E707-K711 WeakPolarHBondContact O-CB 3.38Å; E707-K711 PolarHBondContact O-N 3.34Å |
| 708 | L | 88.6 | Confident | 87.6 | Confident | 78 Ų | 78 | 76.7 Ų | 76.7 | 41% | 0.408 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 176.1 | -171.7 | 65.7 | 0 | 0 | 0 | 112.3 | E704 L706 K711 R712 | E704-L708 VanDerWaalsContact O-CB 3.29Å; E704-L708 WeakPolarHBondContact O-CB 3.33Å; E704-L708 PolarHBondContact O-N 3.48Å; L706-L708 VanDerWaalsContact C-N 3.32Å; L706-L708 PolarHBondContact O-N 3.33Å; L708-K711 PolarHBondContact O-N 2.96Å; L708-R712 WeakPolarHBondContact O-CG 3.4Å; L708-R712 PolarHBondContact O-N 3.39Å |
| 709 | A | 87.5 | Confident | 87.4 | Confident | 35 Ų | 35 | 80.9 Ų | 80.9 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | I642 D705 L706 K711 R712 L713 | I642-A709 HydrophobicContact CD1-CB 3.75Å; D705-A709 VanDerWaalsContact O-CB 3.3Å; D705-A709 WeakPolarHBondContact O-CB 3.02Å; D705-A709 PolarHBondContact O-N 3.13Å; L706-A709 PolarHBondContact O-N 3.1Å; A709-K711 PolarHBondContact O-N 3.23Å; A709-R712 PolarHBondContact O-N 3.1Å; A709-L713 WeakPolarHBondContact O-CB 3.23Å; A709-L713 PolarHBondContact O-N 2.94Å |
| 710 | M | 85.4 | Confident | 87.4 | Confident | 62 Ų | 62 | 80.6 Ų | 80.6 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.6 | -32.9 | 177.8 | -67.4 | -70.5 | -86.3 | 0 | 0 | 112.2 | A639 L706 T714 | A639-M710 HydrophobicContact CB-CE 4.09Å; A639-M710 HydrophobicContact CB-SD 4.26Å; L706-M710 HydrophobicContact CD1-CG 3.79Å; L706-M710 HydrophobicContact CG-CG 4.49Å; L706-M710 WeakPolarHBondContact O-CB 3.41Å; L706-M710 VanDerWaalsContact O-CG 3.23Å; L706-M710 WeakPolarHBondContact O-CG 3.5Å; L706-M710 PolarHBondContact O-N 3.08Å; M710-T714 WeakPolarHBondContact O-CB 3.43Å; M710-T714 PolarHBondContact O-N 3.05Å; M710-T714 PolarHBondContact O-OG1 3.01Å |
| 711 | K | 87 | Confident | 87.3 | Confident | 101 Ų | 101 | 79.5 Ų | 79.5 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -52.1 | 171.4 | -171.9 | 170.5 | 180 | 176.3 | 0 | 110.8 | E707 L708 A709 L713 T714 T715 E946 | E707-K711 VanDerWaalsContact O-CB 3.22Å; E707-K711 WeakPolarHBondContact O-CB 3.38Å; E707-K711 PolarHBondContact O-N 3.34Å; L708-K711 PolarHBondContact O-N 2.96Å; A709-K711 PolarHBondContact O-N 3.23Å; K711-L713 PolarHBondContact O-N 2.96Å; K711-T714 WeakPolarHBondContact O-CB 3.44Å; K711-T714 PolarHBondContact O-N 2.91Å; K711-T714 VanDerWaalsContact O-N 3.08Å; K711-T715 PolarHBondContact O-N 2.68Å; K711-T715 PolarHBondContact O-OG1 2.88Å; K711-E946 WeakPolarHBondContact CE-OE1 3.45Å; K711-E946 IonicContact NZ-OE1 3.15Å; K711-E946 PolarHBondContact NZ-OE1 3.37Å; K711-E946 IonicContact NZ-OE2 2.84Å; K711-E946 PolarHBondContact NZ-OE2 3.46Å |
| 712 | R | 87.8 | Confident | 87.2 | Confident | 160 Ų | 160 | 74.5 Ų | 74.5 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -53.6 | -52.9 | 176.2 | -72 | 174.7 | -172.4 | -158.1 | 4 | 112.1 | L708 A709 T714 T715 D716 | L708-R712 WeakPolarHBondContact O-CG 3.4Å; L708-R712 PolarHBondContact O-N 3.39Å; A709-R712 PolarHBondContact O-N 3.1Å; R712-T714 PolarHBondContact O-N 2.97Å; R712-T715 PolarHBondContact O-N 2.93Å; R712-T715 VanDerWaalsContact O-N 3.08Å; R712-D716 PolarHBondContact O-N 3.31Å |
| 713 | L | 88.2 | Confident | 87.2 | Confident | 35 Ų | 35 | 74.7 Ų | 74.7 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.6 | -32.1 | 179 | -178.4 | 58.5 | 0 | 0 | 0 | 112.5 | R635 E638 A709 K711 N717 | R635-L713 HydrophobicContact CB-CD2 4.45Å; R635-L713 HydrophobicContact CG-CD2 3.82Å; R635-L713 HydrophobicContact CG-CG 4.1Å; E638-L713 HydrophobicContact CB-CD2 3.86Å; E638-L713 HydrophobicContact CG-CD2 4.33Å; A709-L713 WeakPolarHBondContact O-CB 3.23Å; A709-L713 PolarHBondContact O-N 2.94Å; K711-L713 PolarHBondContact O-N 2.96Å; L713-N717 VanDerWaalsContact O-CB 3.26Å; L713-N717 WeakPolarHBondContact O-CB 3.2Å; L713-N717 PolarHBondContact O-N 3.39Å; L713-N717 VanDerWaalsContact O-N 3.1Å; L713-N717 PolarHBondContact O-ND2 3.2Å |
| 714 | T | 86 | Confident | 87.3 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 36% | 0.356 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72.3 | -40.5 | 174.9 | -58 | 0 | 0 | 0 | 0 | 111.9 | M710 K711 R712 R718 | M710-T714 WeakPolarHBondContact O-CB 3.43Å; M710-T714 PolarHBondContact O-N 3.05Å; M710-T714 PolarHBondContact O-OG1 3.01Å; K711-T714 WeakPolarHBondContact O-CB 3.44Å; K711-T714 PolarHBondContact O-N 2.91Å; K711-T714 VanDerWaalsContact O-N 3.08Å; R712-T714 PolarHBondContact O-N 2.97Å; T714-R718 PolarHBondContact O-N 2.53Å |
| 715 | T | 86.7 | Confident | 87.2 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 37% | 0.368 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 174.6 | -54 | 0 | 0 | 0 | 0 | 111.9 | K711 R712 R718 R719 | K711-T715 PolarHBondContact O-N 2.68Å; K711-T715 PolarHBondContact O-OG1 2.88Å; R712-T715 PolarHBondContact O-N 2.93Å; R712-T715 VanDerWaalsContact O-N 3.08Å; T715-R718 PolarHBondContact O-N 3.12Å; T715-R719 PolarHBondContact O-N 2.77Å |
| 716 | D | 87.3 | Confident | 87.2 | Confident | 74 Ų | 74 | 70 Ų | 70 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | -179.8 | -65.7 | -29.8 | 0 | 0 | 0 | 111.8 | R712 R719 E720 | R712-D716 PolarHBondContact O-N 3.31Å; D716-R719 PolarHBondContact O-N 3.03Å; D716-R719 IonicContact OD1-CZ 3.1Å; D716-R719 IonicContact OD1-NH1 3.42Å; D716-R719 PolarHBondContact OD1-NH1 2.86Å; D716-R719 IonicContact OD1-NH2 3.9Å; D716-R719 PolarHBondContact OD1-NH2 3.49Å; D716-E720 PolarHBondContact O-N 2.89Å |
| 717 | N | 89.3 | Confident | 87.3 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 4% | 0.043 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 170.4 | -78.6 | -28.5 | 0 | 0 | 0 | 111.7 | H631 R634 L713 R719 E720 I721 | H631-N717 HydrophobicContact CB-CB 4.4Å; H631-N717 PolarHBondContact CD2-OD1 3.48Å; H631-N717 PolarHBondContact CE1-O 3.35Å; H631-N717 VanDerWaalsContact CG-OD1 3.31Å; H631-N717 VanDerWaalsContact ND1-CB 3.32Å; H631-N717 WeakPolarHBondContact ND1-CB 3.37Å; R634-N717 PolarHBondContact NH2-OD1 2.87Å; L713-N717 VanDerWaalsContact O-CB 3.26Å; L713-N717 WeakPolarHBondContact O-CB 3.2Å; L713-N717 PolarHBondContact O-N 3.39Å; L713-N717 VanDerWaalsContact O-N 3.1Å; L713-N717 PolarHBondContact O-ND2 3.2Å; N717-R719 VanDerWaalsContact C-N 3.35Å; N717-R719 PolarHBondContact O-N 3.47Å; N717-E720 PolarHBondContact O-N 3.17Å; N717-I721 PolarHBondContact O-N 3.42Å |
| 718 | R | 85.5 | Confident | 87.5 | Confident | 124 Ų | 124 | 66.7 Ų | 66.7 | 47% | 0.468 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 173.6 | -79.5 | -171.9 | 179.1 | 175 | 6 | 111.4 | T714 T715 E720 I721 C722 S942 | T714-R718 PolarHBondContact O-N 2.53Å; T715-R718 PolarHBondContact O-N 3.12Å; R718-E720 VanDerWaalsContact C-N 3.29Å; R718-E720 PolarHBondContact O-N 3.05Å; R718-I721 PolarHBondContact O-N 3.26Å; R718-C722 PolarHBondContact O-N 2.9Å; R718-C722 PolarHBondContact O-SG 3.43Å; R718-S942 PolarHBondContact NH1-O 2.84Å |
| 719 | R | 87 | Confident | 87.5 | Confident | 133 Ų | 133 | 64.4 Ų | 64.4 | 50% | 0.502 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | -179.8 | -159.1 | -173.6 | -54.1 | 111.4 | 12.2 | 112.4 | T715 D716 N717 G723 | T715-R719 PolarHBondContact O-N 2.77Å; D716-R719 PolarHBondContact O-N 3.03Å; D716-R719 IonicContact OD1-CZ 3.1Å; D716-R719 IonicContact OD1-NH1 3.42Å; D716-R719 PolarHBondContact OD1-NH1 2.86Å; D716-R719 IonicContact OD1-NH2 3.9Å; D716-R719 PolarHBondContact OD1-NH2 3.49Å; N717-R719 VanDerWaalsContact C-N 3.35Å; N717-R719 PolarHBondContact O-N 3.47Å; R719-G723 PolarHBondContact O-N 3.35Å |
| 720 | E | 88.9 | Confident | 87.5 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 176.2 | -167.6 | 173.4 | -147.4 | 0 | 0 | 112 | M627 H631 R634 D716 N717 R718 G723 K724 | M627-E720 HydrophobicContact CE-CG 4.12Å; M627-E720 HydrophobicContact SD-CG 4.01Å; H631-E720 IonicContact CD2-OE2 3.65Å; H631-E720 IonicContact CE1-OE2 3.52Å; H631-E720 IonicContact NE2-OE2 3.03Å; H631-E720 PolarHBondContact NE2-OE2 2.88Å; R634-E720 IonicContact CZ-OE2 2.87Å; R634-E720 IonicContact NH1-OE1 3.82Å; R634-E720 IonicContact NH1-OE2 2.81Å; R634-E720 PolarHBondContact NH1-OE2 3.46Å; R634-E720 IonicContact NH2-OE2 3.24Å; R634-E720 PolarHBondContact NH2-OE2 3.04Å; D716-E720 PolarHBondContact O-N 2.89Å; N717-E720 PolarHBondContact O-N 3.17Å; R718-E720 VanDerWaalsContact C-N 3.29Å; R718-E720 PolarHBondContact O-N 3.05Å; E720-G723 PolarHBondContact O-N 2.92Å; E720-K724 PolarHBondContact O-N 2.85Å; E720-K724 VanDerWaalsContact O-N 3.11Å |
| 721 | I | 87.6 | Confident | 87.8 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64 | -51.5 | 174.8 | -67.9 | 166.4 | 0 | 0 | 0 | 111 | M627 E628 N717 R718 G723 K724 E725 | M627-I721 HydrophobicContact CE-CB 4.36Å; M627-I721 HydrophobicContact CE-CG1 3.8Å; E628-I721 HydrophobicContact CG-CD1 4.08Å; N717-I721 PolarHBondContact O-N 3.42Å; R718-I721 PolarHBondContact O-N 3.26Å; I721-G723 PolarHBondContact O-N 3.02Å; I721-K724 PolarHBondContact O-N 3.42Å; I721-E725 HydrophobicContact CG2-CG 4.25Å; I721-E725 PolarHBondContact O-N 3.28Å |
| 722 | C | 86.4 | Confident | 88 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 14% | 0.142 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.7 | -34.5 | 178.3 | -61 | 0 | 0 | 0 | 0 | 112.2 | R718 R726 F939 | R718-C722 PolarHBondContact O-N 2.9Å; R718-C722 PolarHBondContact O-SG 3.43Å; C722-R726 WeakPolarHBondContact O-CB 3.36Å; C722-R726 PolarHBondContact O-N 2.92Å; C722-R726 VanDerWaalsContact O-N 3.11Å; C722-F939 HydrophobicContact CB-CD1 3.91Å; C722-F939 HydrophobicContact CB-CE1 4Å; C722-F939 HydrophobicContact CB-CG 4.27Å; C722-F939 HydrophobicContact CB-CZ 4.43Å; C722-F939 WeakPolarHBondContact SG-CD1 3.16Å |
| 723 | G | 87.4 | Confident | 88.2 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | R719 E720 I721 R726 E727 | R719-G723 PolarHBondContact O-N 3.35Å; E720-G723 PolarHBondContact O-N 2.92Å; I721-G723 PolarHBondContact O-N 3.02Å; G723-R726 PolarHBondContact O-N 3.33Å; G723-E727 PolarHBondContact O-N 3.42Å; G723-E727 VanDerWaalsContact O-N 3.1Å |
| 724 | K | 87.9 | Confident | 88.5 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72.6 | -37 | 179.1 | -75.7 | -72.7 | 162.1 | -165.7 | 0 | 113.5 | M627 E720 I721 R726 E727 C728 | M627-K724 HydrophobicContact CE-CB 3.89Å; M627-K724 HydrophobicContact CE-CG 3.73Å; M627-K724 HydrophobicContact SD-CG 4.11Å; E720-K724 PolarHBondContact O-N 2.85Å; E720-K724 VanDerWaalsContact O-N 3.11Å; I721-K724 PolarHBondContact O-N 3.42Å; K724-R726 VanDerWaalsContact C-N 3.32Å; K724-R726 PolarHBondContact O-N 3.16Å; K724-E727 IonicContact NZ-OE2 2.82Å; K724-E727 PolarHBondContact NZ-OE2 3.01Å; K724-E727 WeakPolarHBondContact O-CB 3.4Å; K724-E727 PolarHBondContact O-N 3.01Å; K724-C728 PolarHBondContact O-N 2.98Å |
| 725 | E | 87.3 | Confident | 88.9 | Confident | 27 Ų | 27 | 62.8 Ų | 62.8 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 173.1 | -70.9 | -166.6 | 163.5 | 0 | 0 | 112.2 | V624 I721 C728 L729 F939 | V624-E725 HydrophobicContact CG2-CG 4.25Å; I721-E725 HydrophobicContact CG2-CG 4.25Å; I721-E725 PolarHBondContact O-N 3.28Å; E725-C728 PolarHBondContact O-N 3.44Å; E725-L729 PolarHBondContact O-N 2.94Å; E725-F939 HydrophobicContact CB-CE1 4.45Å; E725-F939 HydrophobicContact CB-CZ 3.76Å; E725-F939 VanDerWaalsContact OE2-CE1 3.25Å; E725-F939 WeakPolarHBondContact OE2-CE1 3.43Å; E725-F939 VanDerWaalsContact OE2-CZ 3.31Å; E725-F939 WeakPolarHBondContact OE2-CZ 3.46Å |
| 726 | R | 87.6 | Confident | 89.1 | Confident | 127 Ų | 127 | 61.4 Ų | 61.4 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 171.7 | -173.5 | -176.3 | -64.2 | 158.6 | 2.4 | 112.2 | C722 G723 K724 L729 M730 | C722-R726 WeakPolarHBondContact O-CB 3.36Å; C722-R726 PolarHBondContact O-N 2.92Å; C722-R726 VanDerWaalsContact O-N 3.11Å; G723-R726 PolarHBondContact O-N 3.33Å; K724-R726 VanDerWaalsContact C-N 3.32Å; K724-R726 PolarHBondContact O-N 3.16Å; R726-L729 PolarHBondContact O-N 3.49Å; R726-M730 VanDerWaalsContact O-CG 3.31Å; R726-M730 WeakPolarHBondContact O-CG 3.35Å; R726-M730 PolarHBondContact O-N 3.04Å; R726-M730 VanDerWaalsContact O-N 3.12Å |
| 727 | E | 88.9 | Confident | 89.5 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.7 | -168.8 | -164 | 133.5 | 0 | 0 | 111.4 | G723 K724 M730 K731 | G723-E727 PolarHBondContact O-N 3.42Å; G723-E727 VanDerWaalsContact O-N 3.1Å; K724-E727 IonicContact NZ-OE2 2.82Å; K724-E727 PolarHBondContact NZ-OE2 3.01Å; K724-E727 WeakPolarHBondContact O-CB 3.4Å; K724-E727 PolarHBondContact O-N 3.01Å; E727-M730 PolarHBondContact O-N 3.13Å; E727-K731 PolarHBondContact O-N 3.02Å; E727-K731 IonicContact OE1-NZ 2.65Å; E727-K731 PolarHBondContact OE1-NZ 3.35Å |
| 728 | C | 89.4 | Confident | 89.7 | Confident | 12 Ų | 12 | 65 Ų | 65 | 8% | 0.081 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -42 | 176.6 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | Q620 K724 E725 M730 K731 K732 | Q620-C728 VanDerWaalsContact CB-SG 3.56Å; Q620-C728 HydrophobicContact CG-CB 3.99Å; Q620-C728 VanDerWaalsContact CG-SG 3.52Å; Q620-C728 PolarHBondContact OE1-SG 3.39Å; K724-C728 PolarHBondContact O-N 2.98Å; E725-C728 PolarHBondContact O-N 3.44Å; C728-M730 VanDerWaalsContact C-N 3.29Å; C728-M730 PolarHBondContact O-N 3.33Å; C728-K731 PolarHBondContact O-N 3.17Å; C728-K732 WeakPolarHBondContact O-CB 3.49Å; C728-K732 PolarHBondContact O-N 3.42Å |
| 729 | L | 87.6 | Confident | 90.1 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 173.8 | 179 | 72.3 | 0 | 0 | 0 | 110.6 | E725 R726 K731 K732 Q733 K932 | E725-L729 PolarHBondContact O-N 2.94Å; R726-L729 PolarHBondContact O-N 3.49Å; L729-K731 PolarHBondContact O-N 3.48Å; L729-K732 PolarHBondContact O-N 2.9Å; L729-K732 VanDerWaalsContact O-N 3.14Å; L729-Q733 HydrophobicContact CD1-CG 4.18Å; L729-Q733 HydrophobicContact CG-CG 4.21Å; L729-Q733 WeakPolarHBondContact O-CG 3.41Å; L729-Q733 PolarHBondContact O-N 3.42Å; L729-K932 HydrophobicContact CD2-CB 4.16Å; L729-K932 HydrophobicContact CD2-CG 4.24Å |
| 730 | M | 89.2 | Confident | 90.5 | Very high | 118 Ų | 118 | 57.2 Ų | 57.2 | 58% | 0.581 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.7 | -46.8 | -178.6 | -60.6 | -136.3 | -53.9 | 0 | 0 | 111.6 | R726 E727 C728 K732 Q733 E734 | R726-M730 VanDerWaalsContact O-CG 3.31Å; R726-M730 WeakPolarHBondContact O-CG 3.35Å; R726-M730 PolarHBondContact O-N 3.04Å; R726-M730 VanDerWaalsContact O-N 3.12Å; E727-M730 PolarHBondContact O-N 3.13Å; C728-M730 VanDerWaalsContact C-N 3.29Å; C728-M730 PolarHBondContact O-N 3.33Å; M730-K732 VanDerWaalsContact C-N 3.31Å; M730-K732 PolarHBondContact O-N 3.03Å; M730-Q733 PolarHBondContact O-N 2.93Å; M730-Q733 VanDerWaalsContact O-N 3.14Å; M730-E734 WeakPolarHBondContact O-CB 3.45Å; M730-E734 PolarHBondContact O-N 2.78Å |
| 731 | K | 91.4 | Very high | 90.7 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 175 | -69.8 | 168.3 | 173.4 | 173.3 | 0 | 112.5 | L616 E727 C728 L729 E734 L735 | L616-K731 HydrophobicContact CD1-CB 4.42Å; L616-K731 HydrophobicContact CD2-CB 3.97Å; E727-K731 PolarHBondContact O-N 3.02Å; E727-K731 IonicContact OE1-NZ 2.65Å; E727-K731 PolarHBondContact OE1-NZ 3.35Å; C728-K731 PolarHBondContact O-N 3.17Å; L729-K731 PolarHBondContact O-N 3.48Å; K731-E734 WeakPolarHBondContact O-CB 3.35Å; K731-E734 PolarHBondContact O-N 3.1Å; K731-L735 PolarHBondContact O-N 2.8Å |
| 732 | K | 91.4 | Very high | 91 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 175.7 | -169.4 | 174.9 | 177.7 | 177.2 | 0 | 112.1 | L613 L616 E617 C728 L729 M730 L736 | L613-K732 HydrophobicContact CD1-CD 4.33Å; L613-K732 HydrophobicContact CD1-CG 3.71Å; L616-K732 HydrophobicContact CD2-CB 3.96Å; E617-K732 IonicContact OE1-NZ 3.63Å; E617-K732 PolarHBondContact OE1-NZ 2.94Å; C728-K732 WeakPolarHBondContact O-CB 3.49Å; C728-K732 PolarHBondContact O-N 3.42Å; L729-K732 PolarHBondContact O-N 2.9Å; L729-K732 VanDerWaalsContact O-N 3.14Å; M730-K732 VanDerWaalsContact C-N 3.31Å; M730-K732 PolarHBondContact O-N 3.03Å; K732-L736 VanDerWaalsContact O-CG 3.28Å; K732-L736 WeakPolarHBondContact O-CG 3.34Å; K732-L736 PolarHBondContact O-N 2.99Å |
| 733 | Q | 92.2 | Very high | 91.4 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.7 | -30.2 | 175.3 | -64.6 | -167.1 | -12.2 | 0 | 0 | 112.7 | L729 M730 R737 L928 | L729-Q733 HydrophobicContact CD1-CG 4.18Å; L729-Q733 HydrophobicContact CG-CG 4.21Å; L729-Q733 WeakPolarHBondContact O-CG 3.41Å; L729-Q733 PolarHBondContact O-N 3.42Å; M730-Q733 PolarHBondContact O-N 2.93Å; M730-Q733 VanDerWaalsContact O-N 3.14Å; Q733-R737 WeakPolarHBondContact O-CG 3.4Å; Q733-R737 PolarHBondContact O-N 3.36Å; Q733-R737 VanDerWaalsContact O-N 3.13Å; Q733-R737 PolarHBondContact O-NH1 3.24Å; Q733-L928 HydrophobicContact CB-CD2 4.21Å; Q733-L928 HydrophobicContact CG-CD2 3.97Å; Q733-L928 PolarHBondContact NE2-O 2.89Å |
| 734 | E | 93.7 | Very high | 91.7 | Very high | 112 Ų | 112 | 53.6 Ų | 53.6 | 52% | 0.523 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.9 | -55 | 172.9 | -166.4 | 162.4 | -141 | 0 | 0 | 110.4 | M730 K731 L736 R737 D738 | M730-E734 WeakPolarHBondContact O-CB 3.45Å; M730-E734 PolarHBondContact O-N 2.78Å; K731-E734 WeakPolarHBondContact O-CB 3.35Å; K731-E734 PolarHBondContact O-N 3.1Å; E734-L736 PolarHBondContact O-N 3.02Å; E734-L736 VanDerWaalsContact O-N 3.14Å; E734-R737 WeakPolarHBondContact O-CA 3.24Å; E734-R737 WeakPolarHBondContact O-CB 3.48Å; E734-R737 PolarHBondContact O-N 3.48Å; E734-D738 PolarHBondContact O-N 3.38Å |
| 735 | L | 93.7 | Very high | 92 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 23% | 0.225 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.4 | -34.8 | 174.2 | -72 | 177.3 | 0 | 0 | 0 | 113.7 | L616 K731 R739 | L616-L735 HydrophobicContact CB-CD1 4.4Å; L616-L735 HydrophobicContact CD2-CD1 3.83Å; K731-L735 PolarHBondContact O-N 2.8Å; L735-R739 VanDerWaalsContact O-CB 3.22Å; L735-R739 WeakPolarHBondContact O-CB 3.5Å; L735-R739 PolarHBondContact O-N 2.73Å |
| 736 | L | 92.3 | Very high | 92.3 | Very high | 30 Ų | 30 | 56.9 Ų | 56.9 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.8 | -31.6 | 175.7 | -73.3 | 171.1 | 0 | 0 | 0 | 113.1 | L613 K732 E734 E740 L928 | L613-L736 HydrophobicContact CD1-CG 4.47Å; K732-L736 VanDerWaalsContact O-CG 3.28Å; K732-L736 WeakPolarHBondContact O-CG 3.34Å; K732-L736 PolarHBondContact O-N 2.99Å; E734-L736 PolarHBondContact O-N 3.02Å; E734-L736 VanDerWaalsContact O-N 3.14Å; L736-E740 PolarHBondContact O-N 2.69Å; L736-L928 HydrophobicContact CB-CD2 4.36Å; L736-L928 HydrophobicContact CD1-CD2 4.04Å |
| 737 | R | 94.3 | Very high | 92.6 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.3 | -45.1 | 170.5 | -72.5 | 175.7 | -177.3 | 96 | 5.7 | 110.9 | Q733 E734 R739 E740 A741 E925 L928 | Q733-R737 WeakPolarHBondContact O-CG 3.4Å; Q733-R737 PolarHBondContact O-N 3.36Å; Q733-R737 VanDerWaalsContact O-N 3.13Å; Q733-R737 PolarHBondContact O-NH1 3.24Å; E734-R737 WeakPolarHBondContact O-CA 3.24Å; E734-R737 WeakPolarHBondContact O-CB 3.48Å; E734-R737 PolarHBondContact O-N 3.48Å; R737-R739 VanDerWaalsContact C-N 3.32Å; R737-R739 PolarHBondContact O-N 2.8Å; R737-E740 PolarHBondContact O-N 2.79Å; R737-A741 VanDerWaalsContact O-CB 3.26Å; R737-A741 WeakPolarHBondContact O-CB 3.43Å; R737-A741 PolarHBondContact O-N 2.95Å; R737-E925 IonicContact CZ-OE1 3.8Å; R737-E925 IonicContact CZ-OE2 2.67Å; R737-E925 IonicContact NE-OE1 2.71Å; R737-E925 PolarHBondContact NE-OE1 2.69Å; R737-E925 IonicContact NE-OE2 2.67Å; R737-E925 PolarHBondContact NE-OE2 3.12Å; R737-E925 IonicContact NH2-OE1 2.69Å; R737-E925 IonicContact NH2-OE2 3.71Å; R737-E925 PolarHBondContact NH2-OE2 3.42Å; R737-L928 HydrophobicContact CG-CD1 3.93Å |
| 738 | D | 94.4 | Very high | 92.8 | Very high | 79 Ų | 79 | 53.5 Ų | 53.5 | 42% | 0.422 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | -179.4 | -61.6 | -19.6 | 0 | 0 | 0 | 111.5 | F609 E734 A742 | F609-D738 HydrophobicContact CE1-CB 3.96Å; F609-D738 HydrophobicContact CZ-CB 4.33Å; E734-D738 PolarHBondContact O-N 3.38Å; D738-A742 VanDerWaalsContact O-CB 3.23Å; D738-A742 WeakPolarHBondContact O-CB 3.32Å; D738-A742 PolarHBondContact O-N 3.43Å |
| 739 | R | 94.3 | Very high | 93 | Very high | 52 Ų | 52 | 58 Ų | 58 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.4 | -51.3 | 173.3 | -177.4 | 179.6 | -170.6 | -84.7 | 11.5 | 112.2 | F609 D610 L735 R737 L743 | F609-R739 HydrophobicContact CB-CB 3.95Å; F609-R739 HydrophobicContact CB-CG 3.65Å; F609-R739 HydrophobicContact CD1-CB 3.89Å; F609-R739 HydrophobicContact CD1-CG 4.49Å; F609-R739 HydrophobicContact CD2-CB 3.89Å; F609-R739 HydrophobicContact CD2-CG 3.82Å; F609-R739 HydrophobicContact CE1-CB 4.32Å; F609-R739 HydrophobicContact CE2-CB 4.32Å; F609-R739 HydrophobicContact CG-CB 3.65Å; F609-R739 HydrophobicContact CG-CG 3.76Å; D610-R739 IonicContact OD1-CZ 3.15Å; D610-R739 VanDerWaalsContact OD1-CZ 3.27Å; D610-R739 IonicContact OD1-NE 3.51Å; D610-R739 PolarHBondContact OD1-NE 2.91Å; D610-R739 IonicContact OD1-NH2 2.73Å; D610-R739 PolarHBondContact OD1-NH2 2.94Å; D610-R739 IonicContact OD2-NH2 3.37Å; L735-R739 VanDerWaalsContact O-CB 3.22Å; L735-R739 WeakPolarHBondContact O-CB 3.5Å; L735-R739 PolarHBondContact O-N 2.73Å; R737-R739 VanDerWaalsContact C-N 3.32Å; R737-R739 PolarHBondContact O-N 2.8Å; R739-L743 HydrophobicContact CG-CD1 4.49Å; R739-L743 VanDerWaalsContact O-CG 3.28Å; R739-L743 WeakPolarHBondContact O-CG 3.44Å; R739-L743 PolarHBondContact O-N 3.42Å; R739-L743 VanDerWaalsContact O-N 3.17Å |
| 740 | E | 94.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 20% | 0.201 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.9 | -39.2 | -179.8 | -73.8 | -61.5 | 127.4 | 0 | 0 | 112.1 | L736 R737 A742 L743 W744 L924 | L736-E740 PolarHBondContact O-N 2.69Å; R737-E740 PolarHBondContact O-N 2.79Å; E740-A742 PolarHBondContact O-N 3.01Å; E740-L743 PolarHBondContact O-N 3.25Å; E740-W744 HydrophobicContact CB-CH2 4.13Å; E740-W744 HydrophobicContact CB-CZ2 3.63Å; E740-W744 HydrophobicContact CG-CZ2 4.37Å; E740-W744 VanDerWaalsContact O-CD2 3.25Å; E740-W744 PolarHBondContact O-N 3.38Å; E740-W744 PolarHBondContact O-NE1 3.31Å; E740-W744 PolarHBondContact OE2-NE1 2.93Å; E740-L924 HydrophobicContact CB-CD2 3.8Å; E740-L924 HydrophobicContact CG-CD1 4.25Å; E740-L924 HydrophobicContact CG-CD2 3.88Å |
| 741 | A | 93.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -49 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R737 L743 W744 E745 | R737-A741 VanDerWaalsContact O-CB 3.26Å; R737-A741 WeakPolarHBondContact O-CB 3.43Å; R737-A741 PolarHBondContact O-N 2.95Å; A741-L743 VanDerWaalsContact C-N 3.26Å; A741-L743 PolarHBondContact O-N 3.22Å; A741-W744 PolarHBondContact O-N 3.34Å; A741-W744 VanDerWaalsContact O-N 3.09Å; A741-E745 WeakPolarHBondContact O-CG 3.27Å; A741-E745 PolarHBondContact O-N 3.49Å |
| 742 | A | 94.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 55 Ų | 55 | 13% | 0.132 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -26.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F609 D738 E740 M746 | F609-A742 HydrophobicContact CE2-CB 3.87Å; F609-A742 HydrophobicContact CZ-CB 4.06Å; D738-A742 VanDerWaalsContact O-CB 3.23Å; D738-A742 WeakPolarHBondContact O-CB 3.32Å; D738-A742 PolarHBondContact O-N 3.43Å; E740-A742 PolarHBondContact O-N 3.01Å; A742-M746 WeakPolarHBondContact O-CB 3.38Å; A742-M746 PolarHBondContact O-N 3.2Å |
| 743 | L | 93.4 | Very high | 94 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.8 | -38.9 | 170.9 | -73.6 | 170.7 | 0 | 0 | 0 | 111.6 | I602 K606 R739 E740 A741 M746 E747 | I602-L743 HydrophobicContact CG2-CD2 4.43Å; K606-L743 HydrophobicContact CG-CD2 4.34Å; R739-L743 HydrophobicContact CG-CD1 4.49Å; R739-L743 VanDerWaalsContact O-CG 3.28Å; R739-L743 WeakPolarHBondContact O-CG 3.44Å; R739-L743 PolarHBondContact O-N 3.42Å; R739-L743 VanDerWaalsContact O-N 3.17Å; E740-L743 PolarHBondContact O-N 3.25Å; A741-L743 VanDerWaalsContact C-N 3.26Å; A741-L743 PolarHBondContact O-N 3.22Å; L743-M746 PolarHBondContact O-N 3.45Å; L743-E747 WeakPolarHBondContact O-CG 3.2Å; L743-E747 PolarHBondContact O-N 3.4Å |
| 744 | W | 94.1 | Very high | 94.1 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 8% | 0.076 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.2 | -37.4 | 178.6 | -52.7 | -20.5 | 0 | 0 | 0 | 112.4 | E740 A741 M746 E747 E748 W913 L917 K921 L924 | E740-W744 HydrophobicContact CB-CH2 4.13Å; E740-W744 HydrophobicContact CB-CZ2 3.63Å; E740-W744 HydrophobicContact CG-CZ2 4.37Å; E740-W744 VanDerWaalsContact O-CD2 3.25Å; E740-W744 PolarHBondContact O-N 3.38Å; E740-W744 PolarHBondContact O-NE1 3.31Å; E740-W744 PolarHBondContact OE2-NE1 2.93Å; A741-W744 PolarHBondContact O-N 3.34Å; A741-W744 VanDerWaalsContact O-N 3.09Å; W744-M746 VanDerWaalsContact C-N 3.29Å; W744-M746 PolarHBondContact O-N 3.22Å; W744-E747 PolarHBondContact O-N 3.46Å; W744-E748 PolarHBondContact O-N 2.99Å; W744-W913 HydrophobicContact CB-CZ2 4.21Å; W744-W913 WeakPolarHBondContact O-CH2 3.49Å; W744-W913 VanDerWaalsContact O-CZ2 3.26Å; W744-W913 WeakPolarHBondContact O-CZ2 3.27Å; W744-L917 HydrophobicContact CB-CD1 3.89Å; W744-L917 HydrophobicContact CD2-CD1 3.48Å; W744-L917 VanDerWaalsContact CD2-CD1 3.48Å; W744-L917 HydrophobicContact CE3-CD1 3.84Å; W744-L917 HydrophobicContact CG-CD1 3.5Å; W744-K921 HydrophobicContact CH2-CB 3.68Å; W744-K921 HydrophobicContact CH2-CD 4.34Å; W744-K921 HydrophobicContact CH2-CG 3.82Å; W744-K921 HydrophobicContact CZ3-CB 3.9Å; W744-K921 HydrophobicContact CZ3-CD 3.81Å; W744-K921 HydrophobicContact CZ3-CG 3.83Å; W744-L924 HydrophobicContact CH2-CD2 3.85Å; W744-L924 HydrophobicContact CZ2-CD2 4.11Å |
| 745 | E | 93.8 | Very high | 94.2 | Very high | 136 Ų | 136 | 57.2 Ų | 57.2 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61 | -39.9 | 170.6 | -71.9 | 173.6 | 174.3 | 0 | 0 | 111.4 | A741 E748 H749 | A741-E745 WeakPolarHBondContact O-CG 3.27Å; A741-E745 PolarHBondContact O-N 3.49Å; E745-E748 PolarHBondContact O-N 2.92Å; E745-H749 WeakPolarHBondContact O-CB 3.35Å; E745-H749 PolarHBondContact O-N 3.33Å |
| 746 | M | 94.3 | Very high | 94.4 | Very high | 32 Ų | 32 | 60.1 Ų | 60.1 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 173.8 | -176.5 | 176.7 | -72.8 | 0 | 0 | 112.1 | E601 I602 K605 A742 L743 W744 E748 H749 Q750 | E601-M746 HydrophobicContact CB-CE 3.9Å; E601-M746 HydrophobicContact CB-SD 4.03Å; I602-M746 HydrophobicContact CB-SD 4.24Å; I602-M746 HydrophobicContact CG1-CG 4.46Å; I602-M746 HydrophobicContact CG1-SD 3.48Å; I602-M746 WeakPolarHBondContact CG1-SD 3.44Å; K605-M746 HydrophobicContact CB-CE 4.26Å; K605-M746 HydrophobicContact CG-CE 3.7Å; A742-M746 WeakPolarHBondContact O-CB 3.38Å; A742-M746 PolarHBondContact O-N 3.2Å; L743-M746 PolarHBondContact O-N 3.45Å; W744-M746 VanDerWaalsContact C-N 3.29Å; W744-M746 PolarHBondContact O-N 3.22Å; M746-E748 PolarHBondContact O-N 3.47Å; M746-H749 PolarHBondContact O-N 3.06Å; M746-Q750 HydrophobicContact CG-CG 4.29Å; M746-Q750 WeakPolarHBondContact O-CB 3.47Å; M746-Q750 WeakPolarHBondContact O-CG 3.47Å; M746-Q750 PolarHBondContact O-N 3.44Å |
| 747 | E | 93.8 | Very high | 94.6 | Very high | 52 Ų | 52 | 60.3 Ų | 60.3 | 24% | 0.243 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 173.3 | -75.5 | 176.4 | -145 | 0 | 0 | 112 | L743 W744 L751 W913 R920 | L743-E747 WeakPolarHBondContact O-CG 3.2Å; L743-E747 PolarHBondContact O-N 3.4Å; W744-E747 PolarHBondContact O-N 3.46Å; E747-L751 WeakPolarHBondContact O-CG 3.26Å; E747-L751 PolarHBondContact O-N 3.4Å; E747-W913 HydrophobicContact CB-CZ2 3.91Å; E747-W913 PolarHBondContact OE2-NE1 2.95Å; E747-R920 VanDerWaalsContact CD-NH1 3.28Å; E747-R920 IonicContact OE1-CZ 3.84Å; E747-R920 IonicContact OE1-NH1 3.45Å; E747-R920 PolarHBondContact OE1-NH1 3.44Å; E747-R920 IonicContact OE1-NH2 3.34Å; E747-R920 PolarHBondContact OE1-NH2 2.96Å; E747-R920 IonicContact OE2-CZ 3.33Å; E747-R920 IonicContact OE2-NH1 2.61Å; E747-R920 PolarHBondContact OE2-NH1 2.95Å; E747-R920 IonicContact OE2-NH2 2.64Å |
| 748 | E | 93.6 | Very high | 94.6 | Very high | 73 Ų | 73 | 59 Ų | 59 | 34% | 0.341 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 177.3 | -165.5 | 159.7 | -149.8 | 0 | 0 | 111.8 | W744 E745 M746 L751 Q752 L910 W913 R914 | W744-E748 PolarHBondContact O-N 2.99Å; E745-E748 PolarHBondContact O-N 2.92Å; M746-E748 PolarHBondContact O-N 3.47Å; E748-L751 PolarHBondContact O-N 3.34Å; E748-Q752 PolarHBondContact O-N 3.46Å; E748-L910 HydrophobicContact CG-CD2 4.37Å; E748-W913 HydrophobicContact CB-CE3 4.48Å; E748-W913 HydrophobicContact CB-CH2 3.64Å; E748-W913 HydrophobicContact CB-CZ2 4.3Å; E748-W913 HydrophobicContact CB-CZ3 3.73Å; E748-W913 HydrophobicContact CG-CE3 4.44Å; E748-W913 HydrophobicContact CG-CH2 4.24Å; E748-W913 HydrophobicContact CG-CZ3 3.81Å; E748-R914 IonicContact OE1-NH1 2.79Å |
| 749 | H | 94 | Very high | 94.7 | Very high | 107 Ų | 107 | 57.1 Ų | 57.1 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.5 | -167.3 | -96.7 | 0 | 0 | 0 | 112.1 | E745 M746 L751 Q752 E753 | E745-H749 WeakPolarHBondContact O-CB 3.35Å; E745-H749 PolarHBondContact O-N 3.33Å; M746-H749 PolarHBondContact O-N 3.06Å; H749-L751 PolarHBondContact O-N 2.92Å; H749-Q752 PolarHBondContact O-N 3.38Å; H749-E753 IonicContact CE1-OE1 2.66Å; H749-E753 PolarHBondContact CE1-OE1 2.86Å; H749-E753 IonicContact ND1-OE1 3.01Å; H749-E753 PolarHBondContact O-N 2.91Å |
| 750 | Q | 94.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 178.6 | -71.2 | -179.9 | -3.3 | 0 | 0 | 112.4 | F598 E601 M746 R754 | F598-Q750 HydrophobicContact CB-CG 4.44Å; F598-Q750 HydrophobicContact CD1-CG 3.67Å; F598-Q750 HydrophobicContact CD2-CB 3.94Å; F598-Q750 HydrophobicContact CD2-CG 3.82Å; F598-Q750 HydrophobicContact CE1-CB 4.32Å; F598-Q750 HydrophobicContact CE1-CG 3.72Å; F598-Q750 HydrophobicContact CE2-CB 3.68Å; F598-Q750 HydrophobicContact CE2-CG 3.87Å; F598-Q750 HydrophobicContact CG-CB 4.37Å; F598-Q750 VanDerWaalsContact CG-CD 3.49Å; F598-Q750 HydrophobicContact CG-CG 3.73Å; F598-Q750 HydrophobicContact CZ-CB 3.89Å; F598-Q750 HydrophobicContact CZ-CG 3.82Å; E601-Q750 PolarHBondContact OE2-NE2 2.93Å; M746-Q750 HydrophobicContact CG-CG 4.29Å; M746-Q750 WeakPolarHBondContact O-CB 3.47Å; M746-Q750 WeakPolarHBondContact O-CG 3.47Å; M746-Q750 PolarHBondContact O-N 3.44Å; Q750-R754 WeakPolarHBondContact O-CB 3.3Å; Q750-R754 PolarHBondContact O-N 2.62Å |
| 751 | L | 94 | Very high | 95 | Very high | 49 Ų | 49 | 57.3 Ų | 57.3 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 170.3 | -75.1 | 168.5 | 0 | 0 | 0 | 111.7 | E747 E748 H749 H755 H906 L910 W913 | E747-L751 WeakPolarHBondContact O-CG 3.26Å; E747-L751 PolarHBondContact O-N 3.4Å; E748-L751 PolarHBondContact O-N 3.34Å; H749-L751 PolarHBondContact O-N 2.92Å; L751-H755 PolarHBondContact O-N 3.03Å; L751-H906 PolarHBondContact O-CE1 3.15Å; L751-L910 HydrophobicContact CB-CD2 4.09Å; L751-L910 HydrophobicContact CD1-CD2 4.19Å; L751-W913 HydrophobicContact CD1-CB 3.95Å; L751-W913 HydrophobicContact CD1-CD2 4.01Å; L751-W913 HydrophobicContact CD1-CG 3.66Å |
| 752 | Q | 95 | Very high | 95.1 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 179.7 | -171.3 | 69.3 | 1.2 | 0 | 0 | 112.3 | E748 H749 H755 Q756 H906 | E748-Q752 PolarHBondContact O-N 3.46Å; H749-Q752 PolarHBondContact O-N 3.38Å; Q752-H755 PolarHBondContact O-N 3.08Å; Q752-Q756 PolarHBondContact O-N 3.29Å; Q752-H906 PolarHBondContact OE1-NE2 3.12Å |
| 753 | E | 95.7 | Very high | 95.2 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.3 | -76.8 | -165.9 | 160.2 | 0 | 0 | 112.3 | R597 F598 H749 H755 Q756 L757 | R597-E753 IonicContact CZ-OE2 2.77Å; R597-E753 VanDerWaalsContact CZ-OE2 3.25Å; R597-E753 IonicContact NH1-OE1 2.75Å; R597-E753 IonicContact NH1-OE2 2.79Å; R597-E753 PolarHBondContact NH1-OE2 3.48Å; R597-E753 IonicContact NH2-OE1 3.23Å; R597-E753 IonicContact NH2-OE2 2.67Å; R597-E753 PolarHBondContact NH2-OE2 3Å; F598-E753 WeakPolarHBondContact CE1-OE2 3.41Å; F598-E753 HydrophobicContact CZ-CB 4.1Å; H749-E753 IonicContact CE1-OE1 2.66Å; H749-E753 PolarHBondContact CE1-OE1 2.86Å; H749-E753 IonicContact ND1-OE1 3.01Å; H749-E753 PolarHBondContact O-N 2.91Å; E753-H755 VanDerWaalsContact C-N 3.31Å; E753-H755 PolarHBondContact O-N 3.35Å; E753-Q756 PolarHBondContact O-N 2.88Å; E753-L757 PolarHBondContact O-N 3.31Å |
| 754 | R | 95.3 | Very high | 95.3 | Very high | 133 Ų | 133 | 60.9 Ų | 60.9 | 50% | 0.502 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.5 | -176.8 | 180 | -179.8 | -174.9 | 1.7 | 111.5 | M594 Q750 L757 V758 | M594-R754 HydrophobicContact CE-CG 4.45Å; M594-R754 HydrophobicContact SD-CB 4.14Å; M594-R754 HydrophobicContact SD-CG 4.28Å; Q750-R754 WeakPolarHBondContact O-CB 3.3Å; Q750-R754 PolarHBondContact O-N 2.62Å; R754-L757 PolarHBondContact O-N 2.88Å; R754-V758 WeakPolarHBondContact O-CG2 3.22Å; R754-V758 PolarHBondContact O-N 2.75Å |
| 755 | H | 96.2 | Very high | 95.4 | Very high | 19 Ų | 19 | 63.8 Ų | 63.8 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 173 | 167.2 | 68.9 | 0 | 0 | 0 | 111.7 | L751 Q752 E753 L757 V758 K759 D903 H906 | L751-H755 PolarHBondContact O-N 3.03Å; Q752-H755 PolarHBondContact O-N 3.08Å; E753-H755 VanDerWaalsContact C-N 3.31Å; E753-H755 PolarHBondContact O-N 3.35Å; H755-L757 VanDerWaalsContact C-N 3.31Å; H755-L757 PolarHBondContact O-N 3.15Å; H755-V758 PolarHBondContact O-N 3.27Å; H755-K759 VanDerWaalsContact O-CB 3.23Å; H755-K759 WeakPolarHBondContact O-CB 3.4Å; H755-K759 PolarHBondContact O-N 3.35Å; H755-D903 IonicContact CE1-OD1 2.74Å; H755-D903 PolarHBondContact CE1-OD1 3.04Å; H755-D903 IonicContact NE2-OD1 3.73Å; H755-D903 PolarHBondContact NE2-OD1 3Å; H755-H906 HydrophobicContact CB-CB 4.35Å; H755-H906 VanDerWaalsContact CB-CE1 3.5Å; H755-H906 WeakPolarHBondContact CB-CE1 3.38Å; H755-H906 AromaticContact CD2-CD2 3.35Å; H755-H906 PolarHBondContact CD2-CD2 3.17Å; H755-H906 AromaticContact CD2-CG 3.9Å; H755-H906 AromaticContact CD2-NE2 3.77Å; H755-H906 AromaticContact CG-CD2 3.3Å; H755-H906 AromaticContact CG-CE1 4Å; H755-H906 AromaticContact CG-CG 3.38Å; H755-H906 AromaticContact CG-ND1 3.85Å; H755-H906 AromaticContact CG-NE2 3.7Å; H755-H906 WeakPolarHBondContact ND1-CB 3.35Å; H755-H906 AromaticContact ND1-CD2 3.76Å; H755-H906 AromaticContact ND1-CG 3.52Å; H755-H906 AromaticContact NE2-CD2 3.82Å |
| 756 | Q | 97 | Very high | 95.4 | Very high | 104 Ų | 104 | 57.8 Ų | 57.8 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 179.8 | -176.7 | 60.9 | 19.3 | 0 | 0 | 112.4 | Q752 E753 Q760 | Q752-Q756 PolarHBondContact O-N 3.29Å; E753-Q756 PolarHBondContact O-N 2.88Å; Q756-Q760 PolarHBondContact O-N 2.71Å |
| 757 | L | 96.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 63 Ų | 63 | 18% | 0.183 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -53.2 | 173.6 | 177.4 | 58.8 | 0 | 0 | 0 | 111.3 | Q590 L591 M594 E753 R754 H755 K759 Q760 Q761 | Q590-L757 HydrophobicContact CB-CD1 4.16Å; Q590-L757 HydrophobicContact CB-CD2 4.49Å; L591-L757 HydrophobicContact CD2-CD2 3.87Å; L591-L757 HydrophobicContact CG-CD2 4.32Å; M594-L757 HydrophobicContact CB-CD2 4.18Å; M594-L757 HydrophobicContact CG-CD2 4.4Å; M594-L757 HydrophobicContact SD-CD2 3.76Å; E753-L757 PolarHBondContact O-N 3.31Å; R754-L757 PolarHBondContact O-N 2.88Å; H755-L757 VanDerWaalsContact C-N 3.31Å; H755-L757 PolarHBondContact O-N 3.15Å; L757-K759 PolarHBondContact O-N 2.98Å; L757-Q760 PolarHBondContact O-N 2.74Å; L757-Q761 HydrophobicContact CD1-CG 4.17Å; L757-Q761 HydrophobicContact CG-CG 4.48Å; L757-Q761 WeakPolarHBondContact O-CG 3.48Å; L757-Q761 PolarHBondContact O-N 3.34Å |
| 758 | V | 95.2 | Very high | 95.6 | Very high | 51 Ų | 51 | 61.9 Ų | 61.9 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 179 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | R754 H755 Q761 L762 L902 | R754-V758 WeakPolarHBondContact O-CG2 3.22Å; R754-V758 PolarHBondContact O-N 2.75Å; H755-V758 PolarHBondContact O-N 3.27Å; V758-Q761 PolarHBondContact O-N 3.36Å; V758-L762 WeakPolarHBondContact O-CB 3.4Å; V758-L762 PolarHBondContact O-N 3.03Å; V758-L902 HydrophobicContact CG1-CD1 3.87Å; V758-L902 HydrophobicContact CG1-CD2 4.05Å |
| 759 | K | 97 | Very high | 95.6 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66 | -35 | 175.1 | -168.5 | 171.8 | -167.7 | 160.9 | 0 | 112.6 | H755 L757 K763 L899 L902 D903 | H755-K759 VanDerWaalsContact O-CB 3.23Å; H755-K759 WeakPolarHBondContact O-CB 3.4Å; H755-K759 PolarHBondContact O-N 3.35Å; L757-K759 PolarHBondContact O-N 2.98Å; K759-K763 WeakPolarHBondContact O-CG 3.33Å; K759-K763 PolarHBondContact O-N 3.45Å; K759-L899 HydrophobicContact CG-CD2 3.85Å; K759-L902 HydrophobicContact CB-CD2 3.86Å; K759-L902 HydrophobicContact CG-CD2 4.27Å; K759-D903 WeakPolarHBondContact CE-OD1 3.37Å; K759-D903 IonicContact NZ-OD1 3.83Å; K759-D903 PolarHBondContact NZ-OD1 3.01Å; K759-D903 IonicContact NZ-OD2 3.3Å; K759-D903 PolarHBondContact NZ-OD2 3.02Å |
| 760 | Q | 97 | Very high | 95.6 | Very high | 81 Ų | 81 | 59.9 Ų | 59.9 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.5 | -43.1 | 172.1 | -172.1 | 58 | 45.1 | 0 | 0 | 111.7 | Q756 L757 L762 K763 D764 | Q756-Q760 PolarHBondContact O-N 2.71Å; L757-Q760 PolarHBondContact O-N 2.74Å; Q760-L762 VanDerWaalsContact C-N 3.28Å; Q760-L762 PolarHBondContact O-N 3.24Å; Q760-K763 WeakPolarHBondContact O-CB 3.43Å; Q760-K763 PolarHBondContact O-N 2.93Å; Q760-K763 VanDerWaalsContact O-N 3.08Å; Q760-D764 PolarHBondContact NE2-OD1 2.91Å; Q760-D764 PolarHBondContact O-N 3.32Å |
| 761 | Q | 96.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 63 Ų | 63 | 9% | 0.089 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -38 | 177.3 | -68.6 | -178.6 | -17.8 | 0 | 0 | 112.1 | H587 L757 V758 D764 Q765 | H587-Q761 VanDerWaalsContact CA-NE2 3.35Å; H587-Q761 HydrophobicContact CB-CG 4.17Å; H587-Q761 PolarHBondContact CE1-O 2.8Å; H587-Q761 PolarHBondContact O-NE2 3.1Å; L757-Q761 HydrophobicContact CD1-CG 4.17Å; L757-Q761 HydrophobicContact CG-CG 4.48Å; L757-Q761 WeakPolarHBondContact O-CG 3.48Å; L757-Q761 PolarHBondContact O-N 3.34Å; V758-Q761 PolarHBondContact O-N 3.36Å; Q761-D764 PolarHBondContact O-N 3.19Å; Q761-Q765 PolarHBondContact O-N 3.39Å |
| 762 | L | 96.1 | Very high | 95.4 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 173.2 | -169.3 | 62.7 | 0 | 0 | 0 | 112 | V758 Q760 Q765 Y766 K898 L899 L902 | V758-L762 WeakPolarHBondContact O-CB 3.4Å; V758-L762 PolarHBondContact O-N 3.03Å; Q760-L762 VanDerWaalsContact C-N 3.28Å; Q760-L762 PolarHBondContact O-N 3.24Å; L762-Q765 WeakPolarHBondContact O-CB 3.37Å; L762-Q765 PolarHBondContact O-N 2.69Å; L762-Y766 HydrophobicContact CD1-CD2 4.13Å; L762-Y766 HydrophobicContact CD1-CE2 3.69Å; L762-Y766 HydrophobicContact CG-CD2 4.06Å; L762-Y766 HydrophobicContact CG-CE2 3.94Å; L762-Y766 VanDerWaalsContact O-CD2 3.27Å; L762-Y766 WeakPolarHBondContact O-CD2 3.37Å; L762-Y766 PolarHBondContact O-N 3.47Å; L762-K898 HydrophobicContact CD2-CB 4.22Å; L762-L899 HydrophobicContact CD2-CD2 4.03Å; L762-L899 HydrophobicContact CD2-CG 4.28Å; L762-L902 HydrophobicContact CD2-CD2 4.09Å |
| 763 | K | 96.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 58 Ų | 58 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 174.4 | -74.7 | 175.5 | 177.2 | -175.1 | 0 | 112.7 | K759 Q760 Q765 Y766 F767 L899 | K759-K763 WeakPolarHBondContact O-CG 3.33Å; K759-K763 PolarHBondContact O-N 3.45Å; Q760-K763 WeakPolarHBondContact O-CB 3.43Å; Q760-K763 PolarHBondContact O-N 2.93Å; Q760-K763 VanDerWaalsContact O-N 3.08Å; K763-Q765 VanDerWaalsContact C-N 3.26Å; K763-Q765 PolarHBondContact O-N 2.63Å; K763-Y766 PolarHBondContact O-N 2.95Å; K763-F767 VanDerWaalsContact O-CB 3.31Å; K763-F767 WeakPolarHBondContact O-CB 3.14Å; K763-F767 PolarHBondContact O-N 3.25Å; K763-L899 HydrophobicContact CG-CD1 4.48Å; K763-L899 HydrophobicContact CG-CD2 4.21Å |
| 764 | D | 96.3 | Very high | 95 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.1 | -40 | 175.5 | -79.3 | 29.3 | 0 | 0 | 0 | 110.6 | L583 K586 Q760 Q761 F767 L768 | L583-D764 HydrophobicContact CD1-CB 4.08Å; L583-D764 HydrophobicContact CD2-CB 4.46Å; K586-D764 IonicContact NZ-OD2 2.99Å; K586-D764 PolarHBondContact NZ-OD2 2.71Å; Q760-D764 PolarHBondContact NE2-OD1 2.91Å; Q760-D764 PolarHBondContact O-N 3.32Å; Q761-D764 PolarHBondContact O-N 3.19Å; D764-F767 PolarHBondContact O-N 3.32Å; D764-L768 PolarHBondContact O-N 3.01Å |
| 765 | Q | 94.9 | Very high | 94.8 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -47.7 | 175.2 | -171.6 | 178.1 | 27.9 | 0 | 0 | 112.5 | Q761 L762 K763 F767 L768 Q769 | Q761-Q765 PolarHBondContact O-N 3.39Å; L762-Q765 WeakPolarHBondContact O-CB 3.37Å; L762-Q765 PolarHBondContact O-N 2.69Å; K763-Q765 VanDerWaalsContact C-N 3.26Å; K763-Q765 PolarHBondContact O-N 2.63Å; Q765-F767 VanDerWaalsContact C-N 3.32Å; Q765-F767 PolarHBondContact O-N 2.86Å; Q765-L768 PolarHBondContact O-N 2.95Å; Q765-Q769 WeakPolarHBondContact O-CG 3.43Å; Q765-Q769 PolarHBondContact O-N 2.83Å |
| 766 | Y | 95.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 60 Ų | 60 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.7 | -25.5 | 176.3 | -79.8 | -70 | 0 | 0 | 0 | 113.6 | L762 K763 Q769 R770 L891 H894 E895 K898 | L762-Y766 HydrophobicContact CD1-CD2 4.13Å; L762-Y766 HydrophobicContact CD1-CE2 3.69Å; L762-Y766 HydrophobicContact CG-CD2 4.06Å; L762-Y766 HydrophobicContact CG-CE2 3.94Å; L762-Y766 VanDerWaalsContact O-CD2 3.27Å; L762-Y766 WeakPolarHBondContact O-CD2 3.37Å; L762-Y766 PolarHBondContact O-N 3.47Å; K763-Y766 PolarHBondContact O-N 2.95Å; Y766-Q769 VanDerWaalsContact CD1-OE1 3.31Å; Y766-R770 WeakPolarHBondContact O-CB 3.46Å; Y766-R770 WeakPolarHBondContact O-CG 3.33Å; Y766-R770 PolarHBondContact O-N 3.13Å; Y766-R770 VanDerWaalsContact O-N 3.09Å; Y766-R770 PolarHBondContact O-NE 3.16Å; Y766-L891 HydrophobicContact CD1-CD1 3.84Å; Y766-L891 HydrophobicContact CE1-CD1 3.91Å; Y766-H894 AromaticContact CE1-ND1 3.91Å; Y766-H894 AromaticContact CZ-ND1 3.96Å; Y766-H894 PolarHBondContact OH-CE1 3.45Å; Y766-H894 PolarHBondContact OH-ND1 3.1Å; Y766-H894 VanDerWaalsContact OH-ND1 3.1Å; Y766-E895 HydrophobicContact CD1-CB 3.7Å; Y766-E895 HydrophobicContact CD1-CG 4.24Å; Y766-E895 HydrophobicContact CD2-CB 3.92Å; Y766-E895 HydrophobicContact CD2-CG 3.73Å; Y766-E895 HydrophobicContact CE1-CB 4Å; Y766-E895 HydrophobicContact CE2-CB 4.21Å; Y766-E895 HydrophobicContact CE2-CG 4.38Å; Y766-E895 HydrophobicContact CG-CB 3.67Å; Y766-E895 HydrophobicContact CG-CG 3.66Å; Y766-K898 HydrophobicContact CE2-CB 4.28Å; Y766-K898 WeakPolarHBondContact OH-CG 3.27Å |
| 767 | F | 96.7 | Very high | 94.3 | Very high | 141 Ų | 141 | 55.4 Ų | 55.4 | 62% | 0.618 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.5 | -47.7 | 169.8 | 179.8 | -92.9 | 0 | 0 | 0 | 110.9 | K763 D764 Q765 R770 H771 | K763-F767 VanDerWaalsContact O-CB 3.31Å; K763-F767 WeakPolarHBondContact O-CB 3.14Å; K763-F767 PolarHBondContact O-N 3.25Å; D764-F767 PolarHBondContact O-N 3.32Å; Q765-F767 VanDerWaalsContact C-N 3.32Å; Q765-F767 PolarHBondContact O-N 2.86Å; F767-R770 PolarHBondContact O-N 3.04Å; F767-H771 PolarHBondContact O-N 3.48Å |
| 768 | L | 94.6 | Very high | 94.1 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 175.9 | -179.4 | 59.7 | 0 | 0 | 0 | 111.4 | N579 L583 D764 Q765 R770 H771 E772 | N579-L768 HydrophobicContact CB-CD1 3.88Å; N579-L768 HydrophobicContact CB-CD2 4.03Å; L583-L768 HydrophobicContact CB-CD2 4.3Å; L583-L768 HydrophobicContact CD2-CB 4.1Å; L583-L768 HydrophobicContact CD2-CD2 3.79Å; D764-L768 PolarHBondContact O-N 3.01Å; Q765-L768 PolarHBondContact O-N 2.95Å; L768-R770 VanDerWaalsContact C-N 3.3Å; L768-R770 PolarHBondContact O-N 3.46Å; L768-H771 WeakPolarHBondContact O-CB 3.27Å; L768-H771 PolarHBondContact O-N 2.98Å; L768-E772 HydrophobicContact CD1-CG 4.09Å; L768-E772 WeakPolarHBondContact CD1-OE1 3.44Å; L768-E772 HydrophobicContact CG-CG 4.43Å; L768-E772 WeakPolarHBondContact O-CG 3.35Å; L768-E772 PolarHBondContact O-N 2.68Å |
| 769 | Q | 92.7 | Very high | 93.7 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 29% | 0.29 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58 | -39.1 | 178.1 | -73.2 | 177.9 | -10.7 | 0 | 0 | 113 | Q765 Y766 L773 L891 | Q765-Q769 WeakPolarHBondContact O-CG 3.43Å; Q765-Q769 PolarHBondContact O-N 2.83Å; Y766-Q769 VanDerWaalsContact CD1-OE1 3.31Å; Q769-L773 WeakPolarHBondContact O-CB 2.83Å; Q769-L773 PolarHBondContact O-N 3.42Å; Q769-L891 HydrophobicContact CB-CD1 4.38Å; Q769-L891 HydrophobicContact CB-CD2 4.23Å |
| 770 | R | 94.1 | Very high | 93.3 | Very high | 77 Ų | 77 | 59.3 Ų | 59.3 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 174.2 | -79.5 | 176.2 | -69.3 | -152.6 | -12.7 | 112.2 | Y766 F767 L768 L773 L774 L891 E895 | Y766-R770 WeakPolarHBondContact O-CB 3.46Å; Y766-R770 WeakPolarHBondContact O-CG 3.33Å; Y766-R770 PolarHBondContact O-N 3.13Å; Y766-R770 VanDerWaalsContact O-N 3.09Å; Y766-R770 PolarHBondContact O-NE 3.16Å; F767-R770 PolarHBondContact O-N 3.04Å; L768-R770 VanDerWaalsContact C-N 3.3Å; L768-R770 PolarHBondContact O-N 3.46Å; R770-L773 PolarHBondContact O-N 3.4Å; R770-L774 WeakPolarHBondContact O-CB 3.25Å; R770-L774 VanDerWaalsContact O-CG 3.29Å; R770-L774 WeakPolarHBondContact O-CG 3.34Å; R770-L774 PolarHBondContact O-N 2.84Å; R770-L891 HydrophobicContact CB-CD2 4.43Å; R770-L891 HydrophobicContact CG-CD2 3.65Å; R770-L891 HydrophobicContact CG-CG 4.31Å; R770-E895 IonicContact CZ-OE1 3.05Å; R770-E895 IonicContact CZ-OE2 3.21Å; R770-E895 IonicContact NE-OE2 2.68Å; R770-E895 IonicContact NH1-OE1 3.86Å; R770-E895 PolarHBondContact NH1-OE1 3.19Å; R770-E895 IonicContact NH1-OE2 2.79Å; R770-E895 PolarHBondContact NH1-OE2 2.84Å; R770-E895 VanDerWaalsContact NH2-CD 3.28Å; R770-E895 IonicContact NH2-OE1 3.94Å; R770-E895 PolarHBondContact NH2-OE1 2.81Å; R770-E895 IonicContact NH2-OE2 3.91Å; R770-E895 PolarHBondContact NH2-OE2 2.92Å |
| 771 | H | 93.7 | Very high | 92.9 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.7 | -175.7 | 79.6 | 0 | 0 | 0 | 111.7 | F767 L768 L774 R775 | F767-H771 PolarHBondContact O-N 3.48Å; L768-H771 WeakPolarHBondContact O-CB 3.27Å; L768-H771 PolarHBondContact O-N 2.98Å; H771-L774 PolarHBondContact O-N 3.34Å; H771-R775 WeakPolarHBondContact NE2-CD 3.34Å; H771-R775 PolarHBondContact O-N 3.03Å |
| 772 | E | 90.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 177.2 | -69.7 | 167.2 | 157.9 | 0 | 0 | 111.9 | E576 L768 L774 R775 K776 | E576-E772 WeakPolarHBondContact CA-OE1 3.5Å; L768-E772 HydrophobicContact CD1-CG 4.09Å; L768-E772 WeakPolarHBondContact CD1-OE1 3.44Å; L768-E772 HydrophobicContact CG-CG 4.43Å; L768-E772 WeakPolarHBondContact O-CG 3.35Å; L768-E772 PolarHBondContact O-N 2.68Å; E772-L774 PolarHBondContact O-N 3Å; E772-R775 PolarHBondContact O-N 2.97Å; E772-K776 WeakPolarHBondContact O-CG 3.45Å; E772-K776 PolarHBondContact O-N 2.9Å |
| 773 | L | 91.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 173 | -175.1 | 65.8 | 0 | 0 | 0 | 111.6 | Q769 R770 K776 H777 K887 L891 | Q769-L773 WeakPolarHBondContact O-CB 2.83Å; Q769-L773 PolarHBondContact O-N 3.42Å; R770-L773 PolarHBondContact O-N 3.4Å; L773-K776 WeakPolarHBondContact O-CB 3.44Å; L773-K776 PolarHBondContact O-N 3.25Å; L773-H777 VanDerWaalsContact CD1-NE2 3.31Å; L773-H777 WeakPolarHBondContact CD1-NE2 3.4Å; L773-H777 WeakPolarHBondContact O-CB 3.43Å; L773-H777 PolarHBondContact O-CD2 3.06Å; L773-H777 PolarHBondContact O-N 3.26Å; L773-K887 HydrophobicContact CD1-CB 4.37Å; L773-K887 HydrophobicContact CD1-CD 4.42Å; L773-K887 HydrophobicContact CD2-CB 4.3Å; L773-L891 HydrophobicContact CB-CD2 4.46Å; L773-L891 HydrophobicContact CD2-CB 4.48Å; L773-L891 HydrophobicContact CD2-CD2 3.77Å |
| 774 | L | 92.3 | Very high | 91.9 | Very high | 105 Ų | 105 | 59.3 Ų | 59.3 | 55% | 0.55 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 176.1 | -73 | 169.7 | 0 | 0 | 0 | 112.5 | R770 H771 E772 H777 E778 | R770-L774 WeakPolarHBondContact O-CB 3.25Å; R770-L774 VanDerWaalsContact O-CG 3.29Å; R770-L774 WeakPolarHBondContact O-CG 3.34Å; R770-L774 PolarHBondContact O-N 2.84Å; H771-L774 PolarHBondContact O-N 3.34Å; E772-L774 PolarHBondContact O-N 3Å; L774-H777 PolarHBondContact O-N 3.24Å; L774-E778 PolarHBondContact O-N 3.49Å |
| 775 | R | 91.1 | Very high | 91.6 | Very high | 83 Ų | 83 | 62.7 Ų | 62.7 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.3 | -33.9 | 174.7 | -71.8 | -177.1 | 63.6 | -171.7 | -8.2 | 112.7 | E575 H771 E772 K779 | E575-R775 VanDerWaalsContact CD-NH2 3.31Å; E575-R775 IonicContact OE1-CZ 3.85Å; E575-R775 IonicContact OE1-NH1 2.6Å; E575-R775 PolarHBondContact OE1-NH1 3.36Å; E575-R775 IonicContact OE1-NH2 2.75Å; E575-R775 PolarHBondContact OE1-NH2 3.37Å; E575-R775 IonicContact OE2-CZ 3.49Å; E575-R775 IonicContact OE2-NH1 2.63Å; E575-R775 IonicContact OE2-NH2 2.7Å; E575-R775 PolarHBondContact OE2-NH2 3.08Å; H771-R775 WeakPolarHBondContact NE2-CD 3.34Å; H771-R775 PolarHBondContact O-N 3.03Å; E772-R775 PolarHBondContact O-N 2.97Å; R775-K779 PolarHBondContact O-N 2.69Å |
| 776 | K | 88.6 | Confident | 91.3 | Very high | 65 Ų | 65 | 62.5 Ų | 62.5 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 170.1 | -72.5 | 168.1 | -179.9 | 178.1 | 0 | 111.1 | L572 E576 E772 L773 E778 K779 E780 | L572-K776 HydrophobicContact CD2-CD 4.31Å; L572-K776 HydrophobicContact CD2-CG 3.64Å; E576-K776 IonicContact OE1-NZ 3.81Å; E576-K776 PolarHBondContact OE1-NZ 2.82Å; E576-K776 WeakPolarHBondContact OE2-CE 3.35Å; E576-K776 IonicContact OE2-NZ 2.81Å; E576-K776 PolarHBondContact OE2-NZ 2.67Å; E772-K776 WeakPolarHBondContact O-CG 3.45Å; E772-K776 PolarHBondContact O-N 2.9Å; L773-K776 WeakPolarHBondContact O-CB 3.44Å; L773-K776 PolarHBondContact O-N 3.25Å; K776-E778 VanDerWaalsContact C-N 3.29Å; K776-E778 PolarHBondContact O-N 3.34Å; K776-K779 PolarHBondContact O-N 3.04Å; K776-K779 VanDerWaalsContact O-N 3.12Å; K776-E780 WeakPolarHBondContact O-CG 3.49Å; K776-E780 PolarHBondContact O-N 2.93Å |
| 777 | H | 92.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 177.4 | -71.7 | 179.6 | 0 | 0 | 0 | 112.8 | L773 L774 E780 R781 Q884 K887 | L773-H777 VanDerWaalsContact CD1-NE2 3.31Å; L773-H777 WeakPolarHBondContact CD1-NE2 3.4Å; L773-H777 WeakPolarHBondContact O-CB 3.43Å; L773-H777 PolarHBondContact O-CD2 3.06Å; L773-H777 PolarHBondContact O-N 3.26Å; L774-H777 PolarHBondContact O-N 3.24Å; H777-E780 IonicContact CD2-OE2 2.68Å; H777-E780 PolarHBondContact CD2-OE2 2.71Å; H777-R781 VanDerWaalsContact O-CB 3.31Å; H777-R781 WeakPolarHBondContact O-CB 3.4Å; H777-R781 PolarHBondContact O-N 3Å; H777-Q884 VanDerWaalsContact CA-NE2 3.3Å; H777-Q884 HydrophobicContact CB-CG 4.12Å; H777-Q884 PolarHBondContact CE1-O 3.28Å; H777-Q884 PolarHBondContact O-NE2 3.46Å; H777-K887 WeakPolarHBondContact NE2-CD 3.38Å |
| 778 | E | 92.3 | Very high | 90.5 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 172.4 | 175.7 | 144.6 | -91.9 | 0 | 0 | 113 | L774 K776 R781 E782 | L774-E778 PolarHBondContact O-N 3.49Å; K776-E778 VanDerWaalsContact C-N 3.29Å; K776-E778 PolarHBondContact O-N 3.34Å; E778-R781 WeakPolarHBondContact O-CB 3.35Å; E778-R781 PolarHBondContact O-N 2.67Å; E778-R781 IonicContact OE1-CZ 3.87Å; E778-R781 IonicContact OE1-NH1 2.94Å; E778-R781 PolarHBondContact OE1-NH1 3.05Å; E778-R781 IonicContact OE1-NH2 3.8Å; E778-E782 PolarHBondContact O-N 3.28Å |
| 779 | K | 88 | Confident | 90.3 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.4 | -35.3 | 177.7 | -66 | -47.5 | -171 | -171 | 0 | 113.5 | L572 R775 K776 R781 E782 Q783 | L572-K779 HydrophobicContact CD1-CG 4.23Å; R775-K779 PolarHBondContact O-N 2.69Å; K776-K779 PolarHBondContact O-N 3.04Å; K776-K779 VanDerWaalsContact O-N 3.12Å; K779-R781 VanDerWaalsContact C-N 3.31Å; K779-R781 PolarHBondContact O-N 3.38Å; K779-E782 IonicContact NZ-OE1 3.57Å; K779-E782 PolarHBondContact NZ-OE1 3.15Å; K779-E782 IonicContact NZ-OE2 3.52Å; K779-E782 PolarHBondContact NZ-OE2 3.48Å; K779-E782 PolarHBondContact O-N 3.14Å; K779-Q783 WeakPolarHBondContact O-CB 3.46Å; K779-Q783 WeakPolarHBondContact O-CG 3.42Å; K779-Q783 PolarHBondContact O-N 2.97Å |
| 780 | E | 87.7 | Confident | 90 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 27% | 0.271 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 167.6 | -72 | 175.8 | 171 | 0 | 0 | 111.4 | K776 H777 Q783 M784 L880 Q884 K887 | K776-E780 WeakPolarHBondContact O-CG 3.49Å; K776-E780 PolarHBondContact O-N 2.93Å; H777-E780 IonicContact CD2-OE2 2.68Å; H777-E780 PolarHBondContact CD2-OE2 2.71Å; E780-Q783 PolarHBondContact O-N 3.01Å; E780-M784 PolarHBondContact O-N 3.14Å; E780-L880 HydrophobicContact CB-CD1 4.3Å; E780-L880 HydrophobicContact CB-CD2 4.36Å; E780-Q884 PolarHBondContact OE2-NE2 3.44Å; E780-K887 IonicContact OE1-NZ 3.55Å; E780-K887 PolarHBondContact OE1-NZ 3.26Å; E780-K887 IonicContact OE2-NZ 3.26Å; E780-K887 PolarHBondContact OE2-NZ 2.63Å |
| 781 | R | 89.7 | Confident | 89.7 | Confident | 83 Ų | 83 | 63.9 Ų | 63.9 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 178.8 | -162.7 | -154.3 | -44.9 | 121.7 | -0.8 | 111.7 | H777 E778 K779 Q783 M784 Q785 M877 | H777-R781 VanDerWaalsContact O-CB 3.31Å; H777-R781 WeakPolarHBondContact O-CB 3.4Å; H777-R781 PolarHBondContact O-N 3Å; E778-R781 WeakPolarHBondContact O-CB 3.35Å; E778-R781 PolarHBondContact O-N 2.67Å; E778-R781 IonicContact OE1-CZ 3.87Å; E778-R781 IonicContact OE1-NH1 2.94Å; E778-R781 PolarHBondContact OE1-NH1 3.05Å; E778-R781 IonicContact OE1-NH2 3.8Å; K779-R781 VanDerWaalsContact C-N 3.31Å; K779-R781 PolarHBondContact O-N 3.38Å; R781-Q783 VanDerWaalsContact C-N 3.34Å; R781-Q783 PolarHBondContact O-N 3.48Å; R781-M784 PolarHBondContact O-N 3Å; R781-Q785 WeakPolarHBondContact O-CB 3.21Å; R781-Q785 VanDerWaalsContact O-CG 3.29Å; R781-Q785 WeakPolarHBondContact O-CG 3.43Å; R781-Q785 PolarHBondContact O-N 2.9Å; R781-M877 HydrophobicContact CG-CE 4.11Å |
| 782 | E | 90.4 | Very high | 89.6 | Confident | 45 Ų | 45 | 61 Ų | 61 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -45 | 174.1 | -77.9 | 178.5 | -144.2 | 0 | 0 | 111.7 | E778 K779 Q785 R786 | E778-E782 PolarHBondContact O-N 3.28Å; K779-E782 IonicContact NZ-OE1 3.57Å; K779-E782 PolarHBondContact NZ-OE1 3.15Å; K779-E782 IonicContact NZ-OE2 3.52Å; K779-E782 PolarHBondContact NZ-OE2 3.48Å; K779-E782 PolarHBondContact O-N 3.14Å; E782-Q785 PolarHBondContact O-N 3.33Å; E782-R786 WeakPolarHBondContact O-CB 3.44Å; E782-R786 WeakPolarHBondContact O-CG 3.46Å; E782-R786 PolarHBondContact O-N 3.29Å; E782-R786 IonicContact OE2-CZ 3.46Å; E782-R786 IonicContact OE2-NH2 3.64Å; E782-R786 PolarHBondContact OE2-NH2 3.22Å |
| 783 | Q | 87.1 | Confident | 89.6 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 179.6 | -73.2 | 173.6 | 11.9 | 0 | 0 | 111.8 | E565 K779 E780 R781 R786 Y787 | E565-Q783 HydrophobicContact CG-CG 4.19Å; K779-Q783 WeakPolarHBondContact O-CB 3.46Å; K779-Q783 WeakPolarHBondContact O-CG 3.42Å; K779-Q783 PolarHBondContact O-N 2.97Å; E780-Q783 PolarHBondContact O-N 3.01Å; R781-Q783 VanDerWaalsContact C-N 3.34Å; R781-Q783 PolarHBondContact O-N 3.48Å; Q783-R786 PolarHBondContact O-N 2.95Å; Q783-Y787 WeakPolarHBondContact O-CB 3.31Å; Q783-Y787 PolarHBondContact O-N 3.17Å |
| 784 | M | 88.6 | Confident | 89.3 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 26% | 0.256 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 176.6 | -170.8 | 63.1 | 84.6 | 0 | 0 | 112.3 | E780 R781 Y787 N788 N876 M877 L880 | E780-M784 PolarHBondContact O-N 3.14Å; R781-M784 PolarHBondContact O-N 3Å; M784-Y787 PolarHBondContact O-N 3.35Å; M784-Y787 HydrophobicContact SD-CD1 3.93Å; M784-N788 WeakPolarHBondContact O-CB 3.33Å; M784-N788 PolarHBondContact O-N 3.41Å; M784-N876 HydrophobicContact CG-CB 4.48Å; M784-N876 HydrophobicContact SD-CB 4.02Å; M784-M877 HydrophobicContact CB-CE 3.8Å; M784-M877 HydrophobicContact CG-CE 3.73Å; M784-M877 HydrophobicContact CG-SD 4.38Å; M784-L880 HydrophobicContact CB-CD2 3.69Å; M784-L880 HydrophobicContact CG-CD2 4.15Å |
| 785 | Q | 90.9 | Very high | 89.3 | Confident | 101 Ų | 101 | 63 Ų | 63 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 171.6 | -73.4 | 174.1 | -10.9 | 0 | 0 | 111.6 | R781 E782 Y787 N788 Q789 M877 | R781-Q785 WeakPolarHBondContact O-CB 3.21Å; R781-Q785 VanDerWaalsContact O-CG 3.29Å; R781-Q785 WeakPolarHBondContact O-CG 3.43Å; R781-Q785 PolarHBondContact O-N 2.9Å; E782-Q785 PolarHBondContact O-N 3.33Å; Q785-Y787 PolarHBondContact O-N 3.04Å; Q785-N788 PolarHBondContact O-N 2.79Å; Q785-Q789 WeakPolarHBondContact O-CB 3.48Å; Q785-Q789 PolarHBondContact O-N 2.76Å; Q785-M877 HydrophobicContact CG-CE 4.47Å; Q785-M877 HydrophobicContact CG-SD 3.63Å |
| 786 | R | 87.5 | Confident | 89.4 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -31.6 | 173.8 | -67.1 | 172 | -155.4 | -179.7 | 11.1 | 111.8 | E568 E782 Q783 R790 | E568-R786 IonicContact OE1-NH1 3.66Å; E568-R786 PolarHBondContact OE1-NH1 2.72Å; E568-R786 IonicContact OE1-NH2 3.6Å; E568-R786 IonicContact OE2-CZ 2.6Å; E568-R786 IonicContact OE2-NH1 2.69Å; E568-R786 PolarHBondContact OE2-NH1 3.43Å; E568-R786 IonicContact OE2-NH2 2.67Å; E568-R786 PolarHBondContact OE2-NH2 2.72Å; E782-R786 WeakPolarHBondContact O-CB 3.44Å; E782-R786 WeakPolarHBondContact O-CG 3.46Å; E782-R786 PolarHBondContact O-N 3.29Å; E782-R786 IonicContact OE2-CZ 3.46Å; E782-R786 IonicContact OE2-NH2 3.64Å; E782-R786 PolarHBondContact OE2-NH2 3.22Å; Q783-R786 PolarHBondContact O-N 2.95Å; R786-R790 VanDerWaalsContact O-CG 3.28Å; R786-R790 WeakPolarHBondContact O-CG 3.21Å; R786-R790 PolarHBondContact O-N 3.09Å; R786-R790 PolarHBondContact O-NE 2.96Å |
| 787 | Y | 85.1 | Confident | 89.4 | Confident | 109 Ų | 109 | 63 Ų | 63 | 43% | 0.427 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.9 | -52.7 | 175.6 | 173.7 | -104 | 0 | 0 | 0 | 112.5 | Q783 M784 Q785 Q789 R790 M791 | Q783-Y787 WeakPolarHBondContact O-CB 3.31Å; Q783-Y787 PolarHBondContact O-N 3.17Å; M784-Y787 PolarHBondContact O-N 3.35Å; M784-Y787 HydrophobicContact SD-CD1 3.93Å; Q785-Y787 PolarHBondContact O-N 3.04Å; Y787-Q789 VanDerWaalsContact C-N 3.29Å; Y787-Q789 PolarHBondContact O-N 2.75Å; Y787-R790 WeakPolarHBondContact O-CB 3.39Å; Y787-R790 PolarHBondContact O-N 3.17Å; Y787-M791 HydrophobicContact CE1-CG 4.13Å; Y787-M791 HydrophobicContact CE2-CG 4.18Å; Y787-M791 HydrophobicContact CE2-SD 4.38Å; Y787-M791 PolarHBondContact O-N 2.85Å |
| 788 | N | 90.6 | Very high | 89.2 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.1 | -42.8 | 177 | -77.6 | -11 | 0 | 0 | 0 | 111.8 | M784 Q785 R790 M791 I792 C873 N876 M877 | M784-N788 WeakPolarHBondContact O-CB 3.33Å; M784-N788 PolarHBondContact O-N 3.41Å; Q785-N788 PolarHBondContact O-N 2.79Å; N788-R790 PolarHBondContact O-N 3.38Å; N788-M791 PolarHBondContact O-N 2.97Å; N788-I792 WeakPolarHBondContact O-CG1 3.29Å; N788-I792 PolarHBondContact O-N 2.9Å; N788-C873 HydrophobicContact CB-CB 3.91Å; N788-C873 PolarHBondContact ND2-O 3.33Å; N788-N876 PolarHBondContact OD1-ND2 2.92Å; N788-M877 WeakPolarHBondContact ND2-CG 3.35Å |
| 789 | Q | 91.3 | Very high | 89.2 | Confident | 106 Ų | 106 | 65.5 Ų | 65.5 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 175.9 | -172.1 | 62.2 | 46.1 | 0 | 0 | 112.5 | Q785 Y787 I792 E793 | Q785-Q789 WeakPolarHBondContact O-CB 3.48Å; Q785-Q789 PolarHBondContact O-N 2.76Å; Y787-Q789 VanDerWaalsContact C-N 3.29Å; Y787-Q789 PolarHBondContact O-N 2.75Å; Q789-I792 PolarHBondContact O-N 2.98Å; Q789-E793 PolarHBondContact O-N 3.43Å |
| 790 | R | 86.6 | Confident | 89.4 | Confident | 65 Ų | 65 | 69 Ų | 69 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 174.5 | -78.5 | 176.9 | -82.4 | -172.8 | -4.3 | 111.3 | E565 R786 Y787 N788 E793 Q794 | E565-R790 IonicContact OE1-CZ 3.83Å; E565-R790 IonicContact OE1-NH1 3.65Å; E565-R790 IonicContact OE1-NH2 2.78Å; E565-R790 PolarHBondContact OE1-NH2 2.93Å; R786-R790 VanDerWaalsContact O-CG 3.28Å; R786-R790 WeakPolarHBondContact O-CG 3.21Å; R786-R790 PolarHBondContact O-N 3.09Å; R786-R790 PolarHBondContact O-NE 2.96Å; Y787-R790 WeakPolarHBondContact O-CB 3.39Å; Y787-R790 PolarHBondContact O-N 3.17Å; N788-R790 PolarHBondContact O-N 3.38Å; R790-E793 PolarHBondContact O-N 3.1Å; R790-Q794 WeakPolarHBondContact O-CG 3.06Å; R790-Q794 PolarHBondContact O-N 3.33Å |
| 791 | M | 86.4 | Confident | 89.5 | Confident | 59 Ų | 59 | 71 Ų | 71 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 178.2 | -70.4 | -62 | -67.4 | 0 | 0 | 112.7 | Y787 N788 E793 L795 M869 | Y787-M791 HydrophobicContact CE1-CG 4.13Å; Y787-M791 HydrophobicContact CE2-CG 4.18Å; Y787-M791 HydrophobicContact CE2-SD 4.38Å; Y787-M791 PolarHBondContact O-N 2.85Å; N788-M791 PolarHBondContact O-N 2.97Å; M791-E793 PolarHBondContact O-N 2.64Å; M791-L795 PolarHBondContact O-N 2.85Å; M791-L795 VanDerWaalsContact O-N 3.15Å; M791-M869 HydrophobicContact CB-SD 3.99Å; M791-M869 HydrophobicContact CE-CE 4.43Å; M791-M869 HydrophobicContact CE-SD 4.37Å |
| 792 | I | 91.5 | Very high | 89.4 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 175.2 | -69.7 | 164.6 | 0 | 0 | 0 | 110.9 | N788 Q789 L795 K796 M869 L870 | N788-I792 WeakPolarHBondContact O-CG1 3.29Å; N788-I792 PolarHBondContact O-N 2.9Å; Q789-I792 PolarHBondContact O-N 2.98Å; I792-L795 PolarHBondContact O-N 3.48Å; I792-K796 WeakPolarHBondContact O-CG 3.46Å; I792-K796 PolarHBondContact O-N 3.44Å; I792-M869 HydrophobicContact CG1-CG 4.11Å; I792-L870 HydrophobicContact CD1-CD2 3.85Å; I792-L870 HydrophobicContact CG1-CD2 4.48Å |
| 793 | E | 90.8 | Very high | 89.4 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.3 | -40 | -177.5 | -150.6 | 60.7 | -135 | 0 | 0 | 112.5 | Q789 R790 M791 L795 K796 V797 | Q789-E793 PolarHBondContact O-N 3.43Å; R790-E793 PolarHBondContact O-N 3.1Å; M791-E793 PolarHBondContact O-N 2.64Å; E793-L795 VanDerWaalsContact C-N 3.27Å; E793-L795 PolarHBondContact O-N 3.11Å; E793-K796 PolarHBondContact O-N 3.06Å; E793-K796 VanDerWaalsContact OE1-CD 3.24Å; E793-K796 WeakPolarHBondContact OE1-CD 3.47Å; E793-K796 IonicContact OE1-NZ 3.79Å; E793-K796 WeakPolarHBondContact OE2-CD 3.45Å; E793-K796 IonicContact OE2-NZ 3.31Å; E793-K796 PolarHBondContact OE2-NZ 2.88Å; E793-V797 WeakPolarHBondContact O-CG2 3.14Å; E793-V797 PolarHBondContact O-N 2.71Å |
| 794 | Q | 87.5 | Confident | 89.4 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -39 | 172.2 | -73.3 | -177.1 | 14.3 | 0 | 0 | 112.2 | R790 R798 | R790-Q794 WeakPolarHBondContact O-CG 3.06Å; R790-Q794 PolarHBondContact O-N 3.33Å; Q794-R798 PolarHBondContact O-N 2.84Å |
| 795 | L | 91.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 78.7 Ų | 78.7 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66 | -45.1 | 175.1 | -179.9 | 61.6 | 0 | 0 | 0 | 111.7 | M791 I792 E793 V797 R798 Q799 Q865 M869 | M791-L795 PolarHBondContact O-N 2.85Å; M791-L795 VanDerWaalsContact O-N 3.15Å; I792-L795 PolarHBondContact O-N 3.48Å; E793-L795 VanDerWaalsContact C-N 3.27Å; E793-L795 PolarHBondContact O-N 3.11Å; L795-V797 VanDerWaalsContact C-N 3.35Å; L795-V797 PolarHBondContact O-N 3.23Å; L795-R798 PolarHBondContact O-N 3.23Å; L795-Q799 HydrophobicContact CD1-CG 4.28Å; L795-Q799 HydrophobicContact CG-CG 4.47Å; L795-Q799 WeakPolarHBondContact O-CG 3.41Å; L795-Q799 PolarHBondContact O-N 3.07Å; L795-Q865 HydrophobicContact CD1-CB 4.43Å; L795-Q865 HydrophobicContact CD2-CB 4.33Å; L795-Q865 WeakPolarHBondContact CD2-O 3.35Å; L795-M869 HydrophobicContact CD2-CB 3.63Å; L795-M869 HydrophobicContact CD2-CE 4.18Å; L795-M869 HydrophobicContact CD2-CG 3.92Å |
| 796 | K | 92.4 | Very high | 89.4 | Confident | 79 Ų | 79 | 74.8 Ų | 74.8 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.3 | -46.8 | 175.5 | -70 | 170.5 | -173.2 | 167.1 | 0 | 111.7 | I792 E793 R798 Q799 Q800 | I792-K796 WeakPolarHBondContact O-CG 3.46Å; I792-K796 PolarHBondContact O-N 3.44Å; E793-K796 PolarHBondContact O-N 3.06Å; E793-K796 VanDerWaalsContact OE1-CD 3.24Å; E793-K796 WeakPolarHBondContact OE1-CD 3.47Å; E793-K796 IonicContact OE1-NZ 3.79Å; E793-K796 WeakPolarHBondContact OE2-CD 3.45Å; E793-K796 IonicContact OE2-NZ 3.31Å; E793-K796 PolarHBondContact OE2-NZ 2.88Å; K796-R798 VanDerWaalsContact C-N 3.34Å; K796-R798 PolarHBondContact O-N 3.49Å; K796-Q799 PolarHBondContact O-N 3.37Å; K796-Q800 WeakPolarHBondContact O-CB 3.32Å; K796-Q800 PolarHBondContact O-N 3.42Å |
| 797 | V | 90.1 | Very high | 89.4 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 177.8 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | E793 L795 Q800 Q801 | E793-V797 WeakPolarHBondContact O-CG2 3.14Å; E793-V797 PolarHBondContact O-N 2.71Å; L795-V797 VanDerWaalsContact C-N 3.35Å; L795-V797 PolarHBondContact O-N 3.23Å; V797-Q800 PolarHBondContact O-N 2.7Å; V797-Q801 WeakPolarHBondContact O-CG 3.44Å; V797-Q801 PolarHBondContact O-N 2.66Å |
| 798 | R | 88.7 | Confident | 89.7 | Confident | 139 Ų | 139 | 75.1 Ų | 75.1 | 53% | 0.525 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 175.2 | -170.3 | -177.5 | -62.1 | 157.1 | 2.7 | 111.8 | Q794 L795 K796 Q800 Q801 E802 | Q794-R798 PolarHBondContact O-N 2.84Å; L795-R798 PolarHBondContact O-N 3.23Å; K796-R798 VanDerWaalsContact C-N 3.34Å; K796-R798 PolarHBondContact O-N 3.49Å; R798-Q800 VanDerWaalsContact C-N 3.32Å; R798-Q800 PolarHBondContact O-N 3.29Å; R798-Q801 PolarHBondContact O-N 2.85Å; R798-E802 PolarHBondContact O-N 3.07Å |
| 799 | Q | 92 | Very high | 89.5 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 2% | 0.023 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 176.9 | -69.2 | -175.1 | -0.2 | 0 | 0 | 112.5 | L795 K796 E802 K803 H862 | L795-Q799 HydrophobicContact CD1-CG 4.28Å; L795-Q799 HydrophobicContact CG-CG 4.47Å; L795-Q799 WeakPolarHBondContact O-CG 3.41Å; L795-Q799 PolarHBondContact O-N 3.07Å; K796-Q799 PolarHBondContact O-N 3.37Å; Q799-E802 PolarHBondContact O-N 2.88Å; Q799-K803 WeakPolarHBondContact O-CB 3.12Å; Q799-K803 VanDerWaalsContact O-CG 3.27Å; Q799-K803 WeakPolarHBondContact O-CG 3.26Å; Q799-K803 PolarHBondContact O-N 3Å; Q799-H862 HydrophobicContact CG-CB 4.15Å; Q799-H862 PolarHBondContact NE2-O 2.59Å |
| 800 | Q | 91.1 | Very high | 89.4 | Confident | 139 Ų | 139 | 73.9 Ų | 73.9 | 65% | 0.65 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.9 | -39.5 | 177.3 | -170.3 | 169.1 | -0.5 | 0 | 0 | 111.9 | K796 V797 R798 K803 A804 | K796-Q800 WeakPolarHBondContact O-CB 3.32Å; K796-Q800 PolarHBondContact O-N 3.42Å; V797-Q800 PolarHBondContact O-N 2.7Å; R798-Q800 VanDerWaalsContact C-N 3.32Å; R798-Q800 PolarHBondContact O-N 3.29Å; Q800-K803 PolarHBondContact O-N 2.92Å; Q800-A804 WeakPolarHBondContact O-CB 3.37Å; Q800-A804 PolarHBondContact O-N 3.38Å |
| 801 | Q | 89.3 | Confident | 89.4 | Confident | 100 Ų | 100 | 78.3 Ų | 78.3 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 170.7 | -69.1 | -179.4 | 14.3 | 0 | 0 | 111.8 | V797 R798 A804 R805 | V797-Q801 WeakPolarHBondContact O-CG 3.44Å; V797-Q801 PolarHBondContact O-N 2.66Å; R798-Q801 PolarHBondContact O-N 2.85Å; Q801-A804 PolarHBondContact O-N 2.88Å; Q801-R805 WeakPolarHBondContact O-CB 3.37Å; Q801-R805 VanDerWaalsContact O-CG 3.26Å; Q801-R805 WeakPolarHBondContact O-CG 3.46Å; Q801-R805 PolarHBondContact O-N 3.43Å |
| 802 | E | 88.8 | Confident | 89.5 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 175.4 | -76.7 | -174 | -150.6 | 0 | 0 | 112.4 | R798 Q799 A804 R805 L806 Q858 H862 | R798-E802 PolarHBondContact O-N 3.07Å; Q799-E802 PolarHBondContact O-N 2.88Å; E802-A804 VanDerWaalsContact C-N 3.31Å; E802-A804 PolarHBondContact O-N 3.43Å; E802-R805 PolarHBondContact O-N 2.97Å; E802-L806 PolarHBondContact O-N 2.79Å; E802-Q858 PolarHBondContact O-NE2 3.04Å; E802-H862 IonicContact OE2-CD2 2.66Å; E802-H862 IonicContact OE2-CE1 2.75Å; E802-H862 IonicContact OE2-NE2 3.92Å; E802-H862 PolarHBondContact OE2-NE2 2.86Å |
| 803 | K | 89.3 | Confident | 89.3 | Confident | 106 Ų | 106 | 80.3 Ų | 80.3 | 46% | 0.461 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -34.1 | 174.9 | -75.8 | 169.8 | -177.4 | 170.3 | 0 | 112.4 | Q799 Q800 P807 H862 | Q799-K803 WeakPolarHBondContact O-CB 3.12Å; Q799-K803 VanDerWaalsContact O-CG 3.27Å; Q799-K803 WeakPolarHBondContact O-CG 3.26Å; Q799-K803 PolarHBondContact O-N 3Å; Q800-K803 PolarHBondContact O-N 2.92Å; K803-P807 WeakPolarHBondContact O-CD 3.11Å; K803-P807 WeakPolarHBondContact O-CG 3.47Å; K803-H862 WeakPolarHBondContact CE-ND1 3.33Å |
| 804 | A | 88.7 | Confident | 89.2 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -77.7 | -25.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q800 Q801 E802 | Q800-A804 WeakPolarHBondContact O-CB 3.37Å; Q800-A804 PolarHBondContact O-N 3.38Å; Q801-A804 PolarHBondContact O-N 2.88Å; E802-A804 VanDerWaalsContact C-N 3.31Å; E802-A804 PolarHBondContact O-N 3.43Å |
| 805 | R | 90.7 | Very high | 89.3 | Confident | 158 Ų | 158 | 79.9 Ų | 79.9 | 60% | 0.596 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -84.5 | -45.1 | 179.3 | -73.3 | 173.5 | -175 | -165.7 | 3.1 | 112.7 | Q801 E802 K808 I809 | Q801-R805 WeakPolarHBondContact O-CB 3.37Å; Q801-R805 VanDerWaalsContact O-CG 3.26Å; Q801-R805 WeakPolarHBondContact O-CG 3.46Å; Q801-R805 PolarHBondContact O-N 3.43Å; E802-R805 PolarHBondContact O-N 2.97Å; R805-K808 WeakPolarHBondContact O-CB 3.37Å; R805-K808 PolarHBondContact O-N 3.28Å; R805-I809 HydrophobicContact CB-CD1 4.49Å; R805-I809 PolarHBondContact O-N 3.39Å |
| 806 | L | 88.6 | Confident | 89.2 | Confident | 19 Ų | 19 | 83.3 Ų | 83.3 | 10% | 0.099 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -54.1 | -46.5 | -173.8 | -179.6 | 66.5 | 0 | 0 | 0 | 113.9 | E802 K808 I809 Q810 E854 R855 Q858 | E802-L806 PolarHBondContact O-N 2.79Å; L806-K808 PolarHBondContact O-N 3.49Å; L806-K808 VanDerWaalsContact O-N 3.14Å; L806-I809 PolarHBondContact O-N 2.97Å; L806-I809 VanDerWaalsContact O-N 3.12Å; L806-Q810 HydrophobicContact CD1-CG 3.92Å; L806-Q810 HydrophobicContact CG-CG 4.1Å; L806-Q810 WeakPolarHBondContact O-CG 3.29Å; L806-Q810 PolarHBondContact O-N 2.9Å; L806-E854 HydrophobicContact CD1-CG 4.44Å; L806-E854 HydrophobicContact CD2-CG 4.45Å; L806-R855 HydrophobicContact CD2-CG 3.97Å; L806-Q858 HydrophobicContact CD2-CB 4.12Å; L806-Q858 HydrophobicContact CD2-CG 4.44Å |
| 807 | P | 87.4 | Confident | 89 | Confident | 53 Ų | 53 | 84.3 Ų | 84.3 | 34% | 0.344 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.6 | -14.1 | 179.1 | -21.2 | 34.3 | 0 | 0 | 0 | 114.1 | K803 R811 | K803-P807 WeakPolarHBondContact O-CD 3.11Å; K803-P807 WeakPolarHBondContact O-CG 3.47Å; P807-R811 PolarHBondContact O-NE 2.66Å; P807-R811 PolarHBondContact O-NH2 3.35Å |
| 808 | K | 89.9 | Confident | 88.9 | Confident | 138 Ų | 138 | 82.7 Ų | 82.7 | 60% | 0.6 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -80 | -48.7 | 170.2 | -58.9 | -178.6 | -176 | -177.3 | 0 | 109.5 | R805 L806 R811 S812 | R805-K808 WeakPolarHBondContact O-CB 3.37Å; R805-K808 PolarHBondContact O-N 3.28Å; L806-K808 PolarHBondContact O-N 3.49Å; L806-K808 VanDerWaalsContact O-N 3.14Å; K808-R811 PolarHBondContact O-N 3.07Å; K808-R811 VanDerWaalsContact O-N 3.15Å; K808-S812 PolarHBondContact O-N 3.17Å; K808-S812 VanDerWaalsContact O-N 3.11Å; K808-S812 PolarHBondContact O-OG 3.4Å |
| 809 | I | 87.9 | Confident | 88.8 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 178.8 | -61.2 | 168.2 | 0 | 0 | 0 | 111.1 | R805 L806 R811 S812 E813 | R805-I809 HydrophobicContact CB-CD1 4.49Å; R805-I809 PolarHBondContact O-N 3.39Å; L806-I809 PolarHBondContact O-N 2.97Å; L806-I809 VanDerWaalsContact O-N 3.12Å; I809-R811 PolarHBondContact O-N 3.03Å; I809-S812 WeakPolarHBondContact CA-OG 3.49Å; I809-S812 PolarHBondContact O-N 2.67Å; I809-S812 VanDerWaalsContact O-N 3.12Å; I809-S812 PolarHBondContact O-OG 3.16Å; I809-E813 PolarHBondContact O-N 3.31Å |
| 810 | Q | 88.8 | Confident | 88.6 | Confident | 7 Ų | 7 | 84.3 Ų | 84.3 | 3% | 0.033 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.6 | -35.7 | 176.8 | -73.1 | -176.7 | -35.3 | 0 | 0 | 112.9 | L806 G814 Q851 E854 | L806-Q810 HydrophobicContact CD1-CG 3.92Å; L806-Q810 HydrophobicContact CG-CG 4.1Å; L806-Q810 WeakPolarHBondContact O-CG 3.29Å; L806-Q810 PolarHBondContact O-N 2.9Å; Q810-G814 PolarHBondContact O-N 3.13Å; Q810-Q851 HydrophobicContact CB-CG 4.16Å; Q810-Q851 HydrophobicContact CG-CG 4.21Å; Q810-Q851 PolarHBondContact NE2-O 3.45Å; Q810-Q851 PolarHBondContact O-NE2 2.9Å; Q810-E854 PolarHBondContact NE2-OE2 3.29Å |
| 811 | R | 86.2 | Confident | 88.4 | Confident | 159 Ų | 159 | 80.6 Ų | 80.6 | 60% | 0.6 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -73.9 | -37 | 176.8 | -82.4 | -179.5 | -71.2 | 161.1 | -4.1 | 113.1 | P807 K808 I809 K815 | P807-R811 PolarHBondContact O-NE 2.66Å; P807-R811 PolarHBondContact O-NH2 3.35Å; K808-R811 PolarHBondContact O-N 3.07Å; K808-R811 VanDerWaalsContact O-N 3.15Å; I809-R811 PolarHBondContact O-N 3.03Å; R811-K815 VanDerWaalsContact O-CG 3.31Å; R811-K815 WeakPolarHBondContact O-CG 3.32Å; R811-K815 PolarHBondContact O-N 3.33Å |
| 812 | S | 88.3 | Confident | 88.2 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.8 | -47.4 | 172.3 | 33.5 | 0 | 0 | 0 | 0 | 111.6 | K808 I809 K815 T816 | K808-S812 PolarHBondContact O-N 3.17Å; K808-S812 VanDerWaalsContact O-N 3.11Å; K808-S812 PolarHBondContact O-OG 3.4Å; I809-S812 WeakPolarHBondContact CA-OG 3.49Å; I809-S812 PolarHBondContact O-N 2.67Å; I809-S812 VanDerWaalsContact O-N 3.12Å; I809-S812 PolarHBondContact O-OG 3.16Å; S812-K815 PolarHBondContact O-N 3.04Å; S812-T816 PolarHBondContact O-N 3.37Å; S812-T816 VanDerWaalsContact O-N 3.12Å; S812-T816 PolarHBondContact O-OG1 2.86Å |
| 813 | E | 88.6 | Confident | 88 | Confident | 65 Ų | 65 | 85.3 Ų | 85.3 | 30% | 0.304 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 177.9 | -80.9 | -162.9 | -137.2 | 0 | 0 | 112.7 | I809 K815 T816 R817 | I809-E813 PolarHBondContact O-N 3.31Å; E813-K815 VanDerWaalsContact C-N 3.25Å; E813-K815 PolarHBondContact O-N 2.9Å; E813-T816 PolarHBondContact O-N 3.18Å; E813-T816 VanDerWaalsContact O-N 3.08Å; E813-R817 WeakPolarHBondContact O-CB 3.29Å; E813-R817 VanDerWaalsContact O-CG 3.31Å; E813-R817 WeakPolarHBondContact O-CG 3.5Å; E813-R817 PolarHBondContact O-N 3.22Å; E813-R817 IonicContact OE2-CZ 3.73Å; E813-R817 VanDerWaalsContact OE2-CZ 3.26Å; E813-R817 IonicContact OE2-NE 2.74Å; E813-R817 PolarHBondContact OE2-NE 2.98Å; E813-R817 IonicContact OE2-NH2 3.84Å; E813-R817 PolarHBondContact OE2-NH2 3.43Å |
| 814 | G | 88.8 | Confident | 87.7 | Confident | 11 Ų | 11 | 83 Ų | 83 | 11% | 0.113 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.2 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q810 M818 | Q810-G814 PolarHBondContact O-N 3.13Å; G814-M818 WeakPolarHBondContact O-CB 3.43Å; G814-M818 PolarHBondContact O-N 3.28Å |
| 815 | K | 88.8 | Confident | 87.3 | Confident | 163 Ų | 163 | 81.4 Ų | 81.4 | 71% | 0.709 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.5 | -49.3 | 171.8 | -76.2 | 176.3 | 177.7 | -172.3 | 0 | 111.9 | R811 S812 E813 M818 A819 | R811-K815 VanDerWaalsContact O-CG 3.31Å; R811-K815 WeakPolarHBondContact O-CG 3.32Å; R811-K815 PolarHBondContact O-N 3.33Å; S812-K815 PolarHBondContact O-N 3.04Å; E813-K815 VanDerWaalsContact C-N 3.25Å; E813-K815 PolarHBondContact O-N 2.9Å; K815-M818 PolarHBondContact O-N 3.1Å; K815-A819 WeakPolarHBondContact O-CB 3.46Å; K815-A819 PolarHBondContact O-N 2.99Å |
| 816 | T | 88.5 | Confident | 86.6 | Confident | 83 Ų | 83 | 81.5 Ų | 81.5 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | -179.2 | -53.2 | 0 | 0 | 0 | 0 | 112 | S812 E813 A819 M820 | S812-T816 PolarHBondContact O-N 3.37Å; S812-T816 VanDerWaalsContact O-N 3.12Å; S812-T816 PolarHBondContact O-OG1 2.86Å; E813-T816 PolarHBondContact O-N 3.18Å; E813-T816 VanDerWaalsContact O-N 3.08Å; T816-A819 PolarHBondContact O-N 2.87Å; T816-M820 HydrophobicContact CG2-CE 4.28Å; T816-M820 WeakPolarHBondContact O-CG 3.37Å; T816-M820 PolarHBondContact O-N 3Å |
| 817 | R | 88.7 | Confident | 85.8 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 38% | 0.377 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.9 | -67.9 | 172.7 | -173.9 | -102.7 | 6.5 | 111.2 | E813 M820 Y821 F843 E847 | E813-R817 WeakPolarHBondContact O-CB 3.29Å; E813-R817 VanDerWaalsContact O-CG 3.31Å; E813-R817 WeakPolarHBondContact O-CG 3.5Å; E813-R817 PolarHBondContact O-N 3.22Å; E813-R817 IonicContact OE2-CZ 3.73Å; E813-R817 VanDerWaalsContact OE2-CZ 3.26Å; E813-R817 IonicContact OE2-NE 2.74Å; E813-R817 PolarHBondContact OE2-NE 2.98Å; E813-R817 IonicContact OE2-NH2 3.84Å; E813-R817 PolarHBondContact OE2-NH2 3.43Å; R817-M820 PolarHBondContact O-N 2.79Å; R817-Y821 WeakPolarHBondContact O-CB 3.31Å; R817-Y821 PolarHBondContact O-N 3.35Å; R817-F843 HydrophobicContact CB-CZ 4.37Å; R817-E847 WeakPolarHBondContact CD-OE2 3.14Å |
| 818 | M | 88.9 | Confident | 84.8 | Confident | 34 Ų | 34 | 90.3 Ų | 90.3 | 17% | 0.167 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 174.4 | 179.7 | 62 | 69.3 | 0 | 0 | 112.7 | G814 K815 Y821 K822 I840 F843 | G814-M818 WeakPolarHBondContact O-CB 3.43Å; G814-M818 PolarHBondContact O-N 3.28Å; K815-M818 PolarHBondContact O-N 3.1Å; M818-Y821 PolarHBondContact O-N 3.16Å; M818-K822 HydrophobicContact CG-CD 4.39Å; M818-K822 WeakPolarHBondContact O-CB 3.2Å; M818-K822 WeakPolarHBondContact O-CG 3.26Å; M818-K822 PolarHBondContact O-N 3.22Å; M818-K822 HydrophobicContact SD-CD 4.43Å; M818-K822 HydrophobicContact SD-CG 4.37Å; M818-I840 HydrophobicContact SD-CG2 4.01Å; M818-F843 HydrophobicContact CE-CD1 3.79Å; M818-F843 HydrophobicContact CE-CE1 4.31Å; M818-F843 HydrophobicContact SD-CD1 4.19Å |
| 819 | A | 86.6 | Confident | 83.3 | Confident | 60 Ų | 60 | 85 Ų | 85 | 50% | 0.496 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K815 T816 K822 K823 | K815-A819 WeakPolarHBondContact O-CB 3.46Å; K815-A819 PolarHBondContact O-N 2.99Å; T816-A819 PolarHBondContact O-N 2.87Å; A819-K822 PolarHBondContact O-N 2.9Å; A819-K823 WeakPolarHBondContact O-CB 3.43Å; A819-K823 PolarHBondContact O-N 2.99Å |
| 820 | M | 85.9 | Confident | 82 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 59% | 0.586 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 174.8 | -68.7 | -170 | -62.7 | 0 | 0 | 112.2 | T816 R817 K823 S824 | T816-M820 HydrophobicContact CG2-CE 4.28Å; T816-M820 WeakPolarHBondContact O-CG 3.37Å; T816-M820 PolarHBondContact O-N 3Å; R817-M820 PolarHBondContact O-N 2.79Å; M820-K823 PolarHBondContact O-N 2.85Å; M820-S824 WeakPolarHBondContact O-CB 3.39Å; M820-S824 PolarHBondContact O-N 3.48Å |
| 821 | Y | 87.7 | Confident | 80.8 | Confident | 61 Ų | 61 | 86.7 Ų | 86.7 | 24% | 0.239 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 176.6 | -174.3 | -106.4 | 0 | 0 | 0 | 112.2 | R817 M818 K823 S824 L825 I840 F843 | R817-Y821 WeakPolarHBondContact O-CB 3.31Å; R817-Y821 PolarHBondContact O-N 3.35Å; M818-Y821 PolarHBondContact O-N 3.16Å; Y821-K823 VanDerWaalsContact C-N 3.33Å; Y821-K823 PolarHBondContact O-N 3.4Å; Y821-S824 PolarHBondContact O-N 2.75Å; Y821-L825 HydrophobicContact CD1-CD1 3.95Å; Y821-L825 HydrophobicContact CD1-CG 4.44Å; Y821-L825 HydrophobicContact CE1-CD1 3.47Å; Y821-L825 VanDerWaalsContact CE1-CD1 3.47Å; Y821-L825 HydrophobicContact CE1-CG 4.06Å; Y821-L825 PolarHBondContact O-N 3.37Å; Y821-I840 HydrophobicContact CE1-CG1 4.45Å; Y821-F843 HydrophobicContact CD1-CB 3.71Å; Y821-F843 AromaticContact CD1-CD1 3.72Å; Y821-F843 HydrophobicContact CD1-CD1 3.72Å; Y821-F843 AromaticContact CD1-CD2 3.97Å; Y821-F843 HydrophobicContact CD1-CD2 3.97Å; Y821-F843 HydrophobicContact CD1-CE1 4.35Å; Y821-F843 AromaticContact CD1-CG 3.51Å; Y821-F843 HydrophobicContact CD1-CG 3.51Å; Y821-F843 AromaticContact CD2-CD2 3.56Å; Y821-F843 HydrophobicContact CD2-CD2 3.56Å; Y821-F843 AromaticContact CD2-CE2 3.74Å; Y821-F843 HydrophobicContact CD2-CE2 3.74Å; Y821-F843 HydrophobicContact CD2-CG 4.01Å; Y821-F843 HydrophobicContact CD2-CZ 4.33Å; Y821-F843 HydrophobicContact CE1-CB 3.4Å; Y821-F843 VanDerWaalsContact CE1-CB 3.4Å; Y821-F843 HydrophobicContact CE1-CD1 4.33Å; Y821-F843 HydrophobicContact CE1-CD2 4.12Å; Y821-F843 AromaticContact CE1-CG 3.7Å; Y821-F843 HydrophobicContact CE1-CG 3.7Å; Y821-F843 HydrophobicContact CE2-CB 4.4Å; Y821-F843 AromaticContact CE2-CD2 3.74Å; Y821-F843 HydrophobicContact CE2-CD2 3.74Å; Y821-F843 HydrophobicContact CE2-CE2 4.32Å; Y821-F843 HydrophobicContact CE2-CG 4.19Å; Y821-F843 HydrophobicContact CG-CB 4.33Å; Y821-F843 AromaticContact CG-CD1 3.85Å; Y821-F843 HydrophobicContact CG-CD1 3.85Å; Y821-F843 AromaticContact CG-CD2 3.69Å; Y821-F843 HydrophobicContact CG-CD2 3.69Å; Y821-F843 HydrophobicContact CG-CE1 4.05Å; Y821-F843 AromaticContact CG-CE2 3.88Å; Y821-F843 HydrophobicContact CG-CE2 3.88Å; Y821-F843 AromaticContact CG-CG 3.67Å; Y821-F843 HydrophobicContact CG-CG 3.67Å; Y821-F843 HydrophobicContact CG-CZ 4.07Å |
| 822 | K | 85.7 | Confident | 80.1 | Confident | 104 Ų | 104 | 82.4 Ų | 82.4 | 45% | 0.452 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 173 | -74.8 | 177.2 | 178.5 | -175.7 | 0 | 112.4 | M818 A819 L825 H826 I840 | M818-K822 HydrophobicContact CG-CD 4.39Å; M818-K822 WeakPolarHBondContact O-CB 3.2Å; M818-K822 WeakPolarHBondContact O-CG 3.26Å; M818-K822 PolarHBondContact O-N 3.22Å; M818-K822 HydrophobicContact SD-CD 4.43Å; M818-K822 HydrophobicContact SD-CG 4.37Å; A819-K822 PolarHBondContact O-N 2.9Å; K822-L825 PolarHBondContact O-N 3.33Å; K822-H826 PolarHBondContact O-N 2.96Å; K822-H826 VanDerWaalsContact O-N 3.1Å; K822-I840 HydrophobicContact CG-CD1 4.06Å; K822-I840 HydrophobicContact CG-CG1 4.34Å |
| 823 | K | 84.3 | Confident | 79.4 | Confident | 147 Ų | 147 | 81.9 Ų | 81.9 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 175.3 | -168.3 | 175 | -178.5 | -179.9 | 0 | 111.9 | A819 M820 Y821 H826 I827 | A819-K823 WeakPolarHBondContact O-CB 3.43Å; A819-K823 PolarHBondContact O-N 2.99Å; M820-K823 PolarHBondContact O-N 2.85Å; Y821-K823 VanDerWaalsContact C-N 3.33Å; Y821-K823 PolarHBondContact O-N 3.4Å; K823-H826 WeakPolarHBondContact O-CB 3.29Å; K823-H826 PolarHBondContact O-N 3.43Å; K823-I827 HydrophobicContact CG-CD1 4.12Å; K823-I827 WeakPolarHBondContact O-CG1 3.42Å; K823-I827 PolarHBondContact O-N 2.91Å; K823-I827 VanDerWaalsContact O-N 3.17Å |
| 824 | S | 83 | Confident | 78.9 | Confident | 58 Ų | 58 | 81.4 Ų | 81.4 | 41% | 0.406 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | M820 Y821 H826 I827 N828 | M820-S824 WeakPolarHBondContact O-CB 3.39Å; M820-S824 PolarHBondContact O-N 3.48Å; Y821-S824 PolarHBondContact O-N 2.75Å; S824-H826 VanDerWaalsContact C-N 3.26Å; S824-H826 PolarHBondContact O-N 2.86Å; S824-I827 PolarHBondContact O-N 3.46Å; S824-I827 VanDerWaalsContact O-N 3.14Å; S824-N828 PolarHBondContact O-N 2.94Å |
| 825 | L | 80.8 | Confident | 78.3 | Confident | 25 Ų | 25 | 85.3 Ų | 85.3 | 13% | 0.131 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -61.9 | -31.3 | 172.8 | -73.9 | 177.3 | 0 | 0 | 0 | 113 | Y821 K822 G829 K839 I840 | Y821-L825 HydrophobicContact CD1-CD1 3.95Å; Y821-L825 HydrophobicContact CD1-CG 4.44Å; Y821-L825 HydrophobicContact CE1-CD1 3.47Å; Y821-L825 VanDerWaalsContact CE1-CD1 3.47Å; Y821-L825 HydrophobicContact CE1-CG 4.06Å; Y821-L825 PolarHBondContact O-N 3.37Å; K822-L825 PolarHBondContact O-N 3.33Å; L825-G829 WeakPolarHBondContact O-CA 3.41Å; L825-G829 PolarHBondContact O-N 3.33Å; L825-K839 HydrophobicContact CD1-CB 4.36Å; L825-K839 HydrophobicContact CD2-CB 4.49Å; L825-K839 HydrophobicContact CD2-CD 4.4Å; L825-I840 HydrophobicContact CD1-CD1 4.26Å; L825-I840 HydrophobicContact CD1-CG1 3.68Å |
| 826 | H | 74.5 | Confident | 77.8 | Confident | 160 Ų | 160 | 80.1 Ų | 80.1 | 74% | 0.741 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -71.5 | -30.1 | 174.3 | -112.9 | 60.6 | 0 | 0 | 0 | 113.6 | K822 K823 S824 | K822-H826 PolarHBondContact O-N 2.96Å; K822-H826 VanDerWaalsContact O-N 3.1Å; K823-H826 WeakPolarHBondContact O-CB 3.29Å; K823-H826 PolarHBondContact O-N 3.43Å; S824-H826 VanDerWaalsContact C-N 3.26Å; S824-H826 PolarHBondContact O-N 2.86Å |
| 827 | I | 72.5 | Confident | 77.4 | Confident | 121 Ų | 121 | 84.2 Ų | 84.2 | 62% | 0.621 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -86.9 | -39.3 | -176.9 | -64.1 | 164 | 0 | 0 | 0 | 111.2 | K823 S824 | K823-I827 HydrophobicContact CG-CD1 4.12Å; K823-I827 WeakPolarHBondContact O-CG1 3.42Å; K823-I827 PolarHBondContact O-N 2.91Å; K823-I827 VanDerWaalsContact O-N 3.17Å; S824-I827 PolarHBondContact O-N 3.46Å; S824-I827 VanDerWaalsContact O-N 3.14Å |
| 828 | N | 66.8 | Low | 77.2 | Confident | 135 Ų | 135 | 85 Ų | 85 | 72% | 0.722 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -111 | -2.5 | -172.4 | -65.5 | -24.4 | 0 | 0 | 0 | 114.5 | S824 | S824-N828 PolarHBondContact O-N 2.94Å |
| 829 | G | 59.2 | Low | 77 | Confident | 27 Ų | 27 | 87.5 Ų | 87.5 | 28% | 0.278 | 49% | 0.486 | S | S | . | . | trans | -106.4 | 69.6 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L825 G831 Q836 | L825-G829 WeakPolarHBondContact O-CA 3.41Å; L825-G829 PolarHBondContact O-N 3.33Å; G829-G831 PolarHBondContact O-N 3.3Å; G829-Q836 PolarHBondContact O-NE2 3.47Å; G829-Q836 VanDerWaalsContact O-NE2 3.09Å | ||
| 830 | G | 59.4 | Low | 76.9 | Confident | 95 Ų | 95 | 86.9 Ų | 86.9 | 98% | 0.979 | 47% | 0.474 | S | S | * | . | trans | -70.7 | 60.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 831 | G | 63.1 | Low | 77.1 | Confident | 30 Ų | 30 | 87.5 Ų | 87.5 | 31% | 0.309 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -135.2 | 170.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G829 E835 | G829-G831 PolarHBondContact O-N 3.3Å; G831-E835 VanDerWaalsContact CA-OE2 3.26Å; G831-E835 WeakPolarHBondContact CA-OE2 3.41Å |
| 832 | S | 72.9 | Confident | 77 | Confident | 69 Ų | 69 | 89.7 Ų | 89.7 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | trans | -65.6 | 148.7 | -175.6 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | A834 E835 Q836 | S832-A834 PolarHBondContact O-N 2.85Å; S832-A834 PolarHBondContact OG-N 2.63Å; S832-E835 PolarHBondContact N-OE2 3.36Å; S832-E835 WeakPolarHBondContact O-CB 3.49Å; S832-E835 PolarHBondContact O-N 3.05Å; S832-Q836 PolarHBondContact O-N 2.96Å | ||
| 833 | A | 73.5 | Confident | 77.2 | Confident | 52 Ų | 52 | 86.6 Ų | 86.6 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58 | -22.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R837 | A833-R837 WeakPolarHBondContact O-CG 3.33Å; A833-R837 VanDerWaalsContact O-CZ 3.29Å; A833-R837 PolarHBondContact O-N 2.89Å; A833-R837 PolarHBondContact O-NE 3.35Å; A833-R837 PolarHBondContact O-NH2 2.96Å |
| 834 | A | 76.8 | Confident | 77.4 | Confident | 55 Ų | 55 | 82.4 Ų | 82.4 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.6 | -52.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | S832 Q836 R837 E838 | S832-A834 PolarHBondContact O-N 2.85Å; S832-A834 PolarHBondContact OG-N 2.63Å; A834-Q836 VanDerWaalsContact C-N 3.34Å; A834-Q836 PolarHBondContact O-N 3.46Å; A834-R837 WeakPolarHBondContact O-CB 3.36Å; A834-R837 PolarHBondContact O-N 3.12Å; A834-R837 VanDerWaalsContact O-N 3.15Å; A834-E838 PolarHBondContact O-N 3.17Å |
| 835 | E | 77.8 | Confident | 77.7 | Confident | 93 Ų | 93 | 85 Ų | 85 | 44% | 0.435 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | -179.8 | -56 | 173.7 | 137.2 | 0 | 0 | 112.3 | G831 S832 R837 E838 K839 | G831-E835 VanDerWaalsContact CA-OE2 3.26Å; G831-E835 WeakPolarHBondContact CA-OE2 3.41Å; S832-E835 PolarHBondContact N-OE2 3.36Å; S832-E835 WeakPolarHBondContact O-CB 3.49Å; S832-E835 PolarHBondContact O-N 3.05Å; E835-R837 VanDerWaalsContact C-N 3.34Å; E835-R837 PolarHBondContact O-N 3.26Å; E835-E838 PolarHBondContact O-N 3.34Å; E835-K839 WeakPolarHBondContact O-CB 3.41Å; E835-K839 VanDerWaalsContact O-CG 3.3Å; E835-K839 WeakPolarHBondContact O-CG 3.3Å; E835-K839 PolarHBondContact O-N 2.84Å |
| 836 | Q | 76.9 | Confident | 78.1 | Confident | 54 Ų | 54 | 90.3 Ų | 90.3 | 25% | 0.252 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 175.2 | -69.7 | -174.1 | -6.5 | 0 | 0 | 111.4 | G829 S832 A834 I840 | G829-Q836 PolarHBondContact O-NE2 3.47Å; G829-Q836 VanDerWaalsContact O-NE2 3.09Å; S832-Q836 PolarHBondContact O-N 2.96Å; A834-Q836 VanDerWaalsContact C-N 3.34Å; A834-Q836 PolarHBondContact O-N 3.46Å; Q836-I840 WeakPolarHBondContact O-CD1 3.22Å; Q836-I840 VanDerWaalsContact O-CG1 3.24Å; Q836-I840 WeakPolarHBondContact O-CG1 3.45Å; Q836-I840 PolarHBondContact O-N 2.96Å |
| 837 | R | 81.4 | Confident | 78.7 | Confident | 169 Ų | 169 | 83.4 Ų | 83.4 | 64% | 0.638 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.6 | -39.2 | 174.9 | -77 | 178.7 | -72.5 | -128.5 | 0.7 | 112 | A833 A834 E835 I840 K841 | A833-R837 WeakPolarHBondContact O-CG 3.33Å; A833-R837 VanDerWaalsContact O-CZ 3.29Å; A833-R837 PolarHBondContact O-N 2.89Å; A833-R837 PolarHBondContact O-NE 3.35Å; A833-R837 PolarHBondContact O-NH2 2.96Å; A834-R837 WeakPolarHBondContact O-CB 3.36Å; A834-R837 PolarHBondContact O-N 3.12Å; A834-R837 VanDerWaalsContact O-N 3.15Å; E835-R837 VanDerWaalsContact C-N 3.34Å; E835-R837 PolarHBondContact O-N 3.26Å; R837-I840 PolarHBondContact O-N 2.9Å; R837-K841 PolarHBondContact O-N 2.95Å |
| 838 | E | 83.9 | Confident | 79.5 | Confident | 116 Ų | 116 | 83.7 Ų | 83.7 | 54% | 0.542 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | 177 | -177.8 | 151.6 | -141.3 | 0 | 0 | 112.7 | A834 E835 I840 K841 Q842 | A834-E838 PolarHBondContact O-N 3.17Å; E835-E838 PolarHBondContact O-N 3.34Å; E838-I840 VanDerWaalsContact C-N 3.31Å; E838-I840 PolarHBondContact O-N 3.49Å; E838-K841 WeakPolarHBondContact O-CA 3.41Å; E838-K841 WeakPolarHBondContact O-CB 3.44Å; E838-K841 PolarHBondContact O-N 3.18Å; E838-Q842 WeakPolarHBondContact O-CG 3.25Å; E838-Q842 PolarHBondContact O-N 3.29Å |
| 839 | K | 84.3 | Confident | 80.6 | Confident | 88 Ų | 88 | 85.2 Ų | 85.2 | 38% | 0.383 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 174 | -72.7 | 165.4 | -176.6 | 168.7 | 0 | 111.8 | L825 E835 Q842 F843 | L825-K839 HydrophobicContact CD1-CB 4.36Å; L825-K839 HydrophobicContact CD2-CB 4.49Å; L825-K839 HydrophobicContact CD2-CD 4.4Å; E835-K839 WeakPolarHBondContact O-CB 3.41Å; E835-K839 VanDerWaalsContact O-CG 3.3Å; E835-K839 WeakPolarHBondContact O-CG 3.3Å; E835-K839 PolarHBondContact O-N 2.84Å; K839-Q842 PolarHBondContact O-N 2.96Å; K839-F843 WeakPolarHBondContact O-CB 3.31Å; K839-F843 PolarHBondContact O-N 2.87Å |
| 840 | I | 85.4 | Confident | 82.1 | Confident | 46 Ų | 46 | 87.5 Ų | 87.5 | 24% | 0.236 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 172.6 | -70.3 | 165.1 | 0 | 0 | 0 | 111.9 | M818 Y821 K822 L825 Q836 R837 E838 S844 | M818-I840 HydrophobicContact SD-CG2 4.01Å; Y821-I840 HydrophobicContact CE1-CG1 4.45Å; K822-I840 HydrophobicContact CG-CD1 4.06Å; K822-I840 HydrophobicContact CG-CG1 4.34Å; L825-I840 HydrophobicContact CD1-CD1 4.26Å; L825-I840 HydrophobicContact CD1-CG1 3.68Å; Q836-I840 WeakPolarHBondContact O-CD1 3.22Å; Q836-I840 VanDerWaalsContact O-CG1 3.24Å; Q836-I840 WeakPolarHBondContact O-CG1 3.45Å; Q836-I840 PolarHBondContact O-N 2.96Å; R837-I840 PolarHBondContact O-N 2.9Å; E838-I840 VanDerWaalsContact C-N 3.31Å; E838-I840 PolarHBondContact O-N 3.49Å; I840-S844 WeakPolarHBondContact O-CB 3.26Å; I840-S844 PolarHBondContact O-N 3.43Å |
| 841 | K | 88.8 | Confident | 83.5 | Confident | 133 Ų | 133 | 84.7 Ų | 84.7 | 58% | 0.578 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 176.6 | -175.3 | -176.5 | 176.7 | -172.7 | 0 | 111.7 | R837 E838 S844 Q845 | R837-K841 PolarHBondContact O-N 2.95Å; E838-K841 WeakPolarHBondContact O-CA 3.41Å; E838-K841 WeakPolarHBondContact O-CB 3.44Å; E838-K841 PolarHBondContact O-N 3.18Å; K841-S844 WeakPolarHBondContact O-CB 3.46Å; K841-S844 PolarHBondContact O-N 3.23Å; K841-Q845 WeakPolarHBondContact O-CG 3.5Å; K841-Q845 PolarHBondContact O-N 3.42Å; K841-Q845 VanDerWaalsContact O-N 3.07Å |
| 842 | Q | 87.2 | Confident | 84.8 | Confident | 106 Ų | 106 | 90.5 Ų | 90.5 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 176.5 | -69.1 | 174.2 | 3.1 | 0 | 0 | 111.5 | E838 K839 S844 Q845 Q846 | E838-Q842 WeakPolarHBondContact O-CG 3.25Å; E838-Q842 PolarHBondContact O-N 3.29Å; K839-Q842 PolarHBondContact O-N 2.96Å; Q842-S844 VanDerWaalsContact C-N 3.32Å; Q842-S844 PolarHBondContact O-N 3.03Å; Q842-Q845 PolarHBondContact O-N 2.93Å; Q842-Q846 PolarHBondContact O-N 2.79Å |
| 843 | F | 89.4 | Confident | 85.7 | Confident | 39 Ų | 39 | 90.8 Ų | 90.8 | 17% | 0.171 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 174.8 | -176.9 | -95.2 | 0 | 0 | 0 | 112.3 | R817 M818 Y821 K839 Q845 Q846 E847 | R817-F843 HydrophobicContact CB-CZ 4.37Å; M818-F843 HydrophobicContact CE-CD1 3.79Å; M818-F843 HydrophobicContact CE-CE1 4.31Å; M818-F843 HydrophobicContact SD-CD1 4.19Å; Y821-F843 HydrophobicContact CD1-CB 3.71Å; Y821-F843 AromaticContact CD1-CD1 3.72Å; Y821-F843 HydrophobicContact CD1-CD1 3.72Å; Y821-F843 AromaticContact CD1-CD2 3.97Å; Y821-F843 HydrophobicContact CD1-CD2 3.97Å; Y821-F843 HydrophobicContact CD1-CE1 4.35Å; Y821-F843 AromaticContact CD1-CG 3.51Å; Y821-F843 HydrophobicContact CD1-CG 3.51Å; Y821-F843 AromaticContact CD2-CD2 3.56Å; Y821-F843 HydrophobicContact CD2-CD2 3.56Å; Y821-F843 AromaticContact CD2-CE2 3.74Å; Y821-F843 HydrophobicContact CD2-CE2 3.74Å; Y821-F843 HydrophobicContact CD2-CG 4.01Å; Y821-F843 HydrophobicContact CD2-CZ 4.33Å; Y821-F843 HydrophobicContact CE1-CB 3.4Å; Y821-F843 VanDerWaalsContact CE1-CB 3.4Å; Y821-F843 HydrophobicContact CE1-CD1 4.33Å; Y821-F843 HydrophobicContact CE1-CD2 4.12Å; Y821-F843 AromaticContact CE1-CG 3.7Å; Y821-F843 HydrophobicContact CE1-CG 3.7Å; Y821-F843 HydrophobicContact CE2-CB 4.4Å; Y821-F843 AromaticContact CE2-CD2 3.74Å; Y821-F843 HydrophobicContact CE2-CD2 3.74Å; Y821-F843 HydrophobicContact CE2-CE2 4.32Å; Y821-F843 HydrophobicContact CE2-CG 4.19Å; Y821-F843 HydrophobicContact CG-CB 4.33Å; Y821-F843 AromaticContact CG-CD1 3.85Å; Y821-F843 HydrophobicContact CG-CD1 3.85Å; Y821-F843 AromaticContact CG-CD2 3.69Å; Y821-F843 HydrophobicContact CG-CD2 3.69Å; Y821-F843 HydrophobicContact CG-CE1 4.05Å; Y821-F843 AromaticContact CG-CE2 3.88Å; Y821-F843 HydrophobicContact CG-CE2 3.88Å; Y821-F843 AromaticContact CG-CG 3.67Å; Y821-F843 HydrophobicContact CG-CG 3.67Å; Y821-F843 HydrophobicContact CG-CZ 4.07Å; K839-F843 WeakPolarHBondContact O-CB 3.31Å; K839-F843 PolarHBondContact O-N 2.87Å; F843-Q845 VanDerWaalsContact C-N 3.35Å; F843-Q845 PolarHBondContact O-N 2.96Å; F843-Q846 PolarHBondContact O-N 3.01Å; F843-E847 WeakPolarHBondContact O-CB 3.5Å; F843-E847 PolarHBondContact O-N 3.35Å |
| 844 | S | 87.4 | Confident | 86.5 | Confident | 59 Ų | 59 | 91 Ų | 91 | 41% | 0.413 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.7 | -162.6 | 0 | 0 | 0 | 0 | 112.6 | I840 K841 Q842 E848 | I840-S844 WeakPolarHBondContact O-CB 3.26Å; I840-S844 PolarHBondContact O-N 3.43Å; K841-S844 WeakPolarHBondContact O-CB 3.46Å; K841-S844 PolarHBondContact O-N 3.23Å; Q842-S844 VanDerWaalsContact C-N 3.32Å; Q842-S844 PolarHBondContact O-N 3.03Å; S844-E848 WeakPolarHBondContact O-CB 3.4Å; S844-E848 PolarHBondContact O-N 2.63Å |
| 845 | Q | 89.5 | Confident | 87.1 | Confident | 113 Ų | 113 | 94 Ų | 94 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.8 | -35.6 | 175.7 | -69.8 | 175.1 | -28.2 | 0 | 0 | 112 | K841 Q842 F843 K849 | K841-Q845 WeakPolarHBondContact O-CG 3.5Å; K841-Q845 PolarHBondContact O-N 3.42Å; K841-Q845 VanDerWaalsContact O-N 3.07Å; Q842-Q845 PolarHBondContact O-N 2.93Å; F843-Q845 VanDerWaalsContact C-N 3.35Å; F843-Q845 PolarHBondContact O-N 2.96Å; Q845-K849 WeakPolarHBondContact O-CB 3.44Å; Q845-K849 PolarHBondContact O-N 3.21Å |
| 846 | Q | 88.9 | Confident | 87.8 | Confident | 137 Ų | 137 | 94.9 Ų | 94.9 | 64% | 0.64 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68.5 | -41.5 | 175.3 | -168.8 | 177.4 | 12.9 | 0 | 0 | 112.1 | Q842 F843 K849 R850 | Q842-Q846 PolarHBondContact O-N 2.79Å; F843-Q846 PolarHBondContact O-N 3.01Å; Q846-K849 PolarHBondContact O-N 3.15Å; Q846-R850 PolarHBondContact O-N 3.03Å |
| 847 | E | 88.1 | Confident | 88.5 | Confident | 15 Ų | 15 | 98.9 Ų | 98.9 | 7% | 0.07 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.3 | 179.9 | 65.4 | -147.4 | 0 | 0 | 111.1 | R817 F843 K849 R850 Q851 | R817-E847 WeakPolarHBondContact CD-OE2 3.14Å; F843-E847 WeakPolarHBondContact O-CB 3.5Å; F843-E847 PolarHBondContact O-N 3.35Å; E847-K849 VanDerWaalsContact C-N 3.33Å; E847-K849 PolarHBondContact O-N 2.91Å; E847-R850 PolarHBondContact O-N 2.75Å; E847-R850 IonicContact OE1-CZ 2.75Å; E847-R850 VanDerWaalsContact OE1-CZ 3.31Å; E847-R850 IonicContact OE1-NH1 3.12Å; E847-R850 PolarHBondContact OE1-NH1 2.94Å; E847-R850 VanDerWaalsContact OE1-NH1 3.12Å; E847-R850 IonicContact OE1-NH2 2.66Å; E847-R850 PolarHBondContact OE1-NH2 2.93Å; E847-R850 IonicContact OE2-CZ 2.63Å; E847-R850 IonicContact OE2-NH1 2.69Å; E847-R850 PolarHBondContact OE2-NH1 2.7Å; E847-R850 IonicContact OE2-NH2 3.58Å; E847-Q851 WeakPolarHBondContact O-CG 3.33Å; E847-Q851 PolarHBondContact O-N 3.23Å; E847-Q851 PolarHBondContact OE1-NE2 3.18Å |
| 848 | E | 88.3 | Confident | 89 | Confident | 127 Ų | 127 | 92.5 Ų | 92.5 | 59% | 0.593 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 174.5 | -174.9 | -179.4 | -176.6 | 0 | 0 | 112 | S844 R850 Q851 K852 | S844-E848 WeakPolarHBondContact O-CB 3.4Å; S844-E848 PolarHBondContact O-N 2.63Å; E848-R850 PolarHBondContact O-N 3Å; E848-Q851 PolarHBondContact O-N 3.07Å; E848-K852 PolarHBondContact O-N 2.75Å |
| 849 | K | 91.4 | Very high | 89.3 | Confident | 167 Ų | 167 | 91.7 Ų | 91.7 | 73% | 0.726 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.6 | -38.1 | 176.8 | -160.3 | 174.2 | -175 | -179.5 | 0 | 111.9 | Q845 Q846 E847 K852 S853 | Q845-K849 WeakPolarHBondContact O-CB 3.44Å; Q845-K849 PolarHBondContact O-N 3.21Å; Q846-K849 PolarHBondContact O-N 3.15Å; E847-K849 VanDerWaalsContact C-N 3.33Å; E847-K849 PolarHBondContact O-N 2.91Å; K849-K852 PolarHBondContact O-N 3Å; K849-S853 PolarHBondContact O-N 2.91Å; K849-S853 VanDerWaalsContact O-N 3.1Å |
| 850 | R | 90 | Very high | 89.8 | Confident | 75 Ų | 75 | 92.9 Ų | 92.9 | 28% | 0.283 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.7 | -50.3 | 170.3 | -165.9 | -169.4 | 76.1 | -105.9 | -6 | 110.8 | Q846 E847 E848 K852 S853 E854 | Q846-R850 PolarHBondContact O-N 3.03Å; E847-R850 PolarHBondContact O-N 2.75Å; E847-R850 IonicContact OE1-CZ 2.75Å; E847-R850 VanDerWaalsContact OE1-CZ 3.31Å; E847-R850 IonicContact OE1-NH1 3.12Å; E847-R850 PolarHBondContact OE1-NH1 2.94Å; E847-R850 VanDerWaalsContact OE1-NH1 3.12Å; E847-R850 IonicContact OE1-NH2 2.66Å; E847-R850 PolarHBondContact OE1-NH2 2.93Å; E847-R850 IonicContact OE2-CZ 2.63Å; E847-R850 IonicContact OE2-NH1 2.69Å; E847-R850 PolarHBondContact OE2-NH1 2.7Å; E847-R850 IonicContact OE2-NH2 3.58Å; E848-R850 PolarHBondContact O-N 3Å; R850-K852 PolarHBondContact O-N 2.6Å; R850-S853 PolarHBondContact O-N 2.88Å; R850-E854 WeakPolarHBondContact O-CB 3.44Å; R850-E854 PolarHBondContact O-N 3.32Å |
| 851 | Q | 89.8 | Confident | 90.2 | Very high | 36 Ų | 36 | 95.8 Ų | 95.8 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61.8 | -28.1 | -178.2 | -68.6 | 176 | 16.1 | 0 | 0 | 112.9 | Q810 E847 E848 R855 | Q810-Q851 HydrophobicContact CB-CG 4.16Å; Q810-Q851 HydrophobicContact CG-CG 4.21Å; Q810-Q851 PolarHBondContact NE2-O 3.45Å; Q810-Q851 PolarHBondContact O-NE2 2.9Å; E847-Q851 WeakPolarHBondContact O-CG 3.33Å; E847-Q851 PolarHBondContact O-N 3.23Å; E847-Q851 PolarHBondContact OE1-NE2 3.18Å; E848-Q851 PolarHBondContact O-N 3.07Å; Q851-R855 WeakPolarHBondContact O-CG 3.1Å; Q851-R855 PolarHBondContact O-N 3.23Å; Q851-R855 PolarHBondContact O-NE 2.89Å |
| 852 | K | 90.2 | Very high | 90.5 | Very high | 152 Ų | 152 | 89.6 Ų | 89.6 | 66% | 0.661 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -72.5 | -45 | 170.3 | -171.3 | 173.8 | -179.3 | 176.3 | 0 | 112.3 | E848 K849 R850 R855 L856 | E848-K852 PolarHBondContact O-N 2.75Å; K849-K852 PolarHBondContact O-N 3Å; R850-K852 PolarHBondContact O-N 2.6Å; K852-R855 PolarHBondContact O-N 3.38Å; K852-L856 PolarHBondContact O-N 3.47Å; K852-L856 VanDerWaalsContact O-N 3.15Å |
| 853 | S | 91.1 | Very high | 90.8 | Very high | 75 Ų | 75 | 88.9 Ų | 88.9 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 177.8 | -163.3 | 0 | 0 | 0 | 0 | 112.6 | K849 R850 L856 Q857 | K849-S853 PolarHBondContact O-N 2.91Å; K849-S853 VanDerWaalsContact O-N 3.1Å; R850-S853 PolarHBondContact O-N 2.88Å; S853-L856 WeakPolarHBondContact O-CB 3.47Å; S853-L856 PolarHBondContact O-N 3.35Å; S853-Q857 PolarHBondContact O-N 3.37Å |
| 854 | E | 90.8 | Very high | 91.1 | Very high | 57 Ų | 57 | 90 Ų | 90 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 178.8 | -178.8 | 177.6 | -154.9 | 0 | 0 | 112.1 | L806 Q810 R850 Q857 Q858 | L806-E854 HydrophobicContact CD1-CG 4.44Å; L806-E854 HydrophobicContact CD2-CG 4.45Å; Q810-E854 PolarHBondContact NE2-OE2 3.29Å; R850-E854 WeakPolarHBondContact O-CB 3.44Å; R850-E854 PolarHBondContact O-N 3.32Å; E854-Q857 PolarHBondContact O-N 2.94Å; E854-Q858 PolarHBondContact O-N 2.91Å |
| 855 | R | 89.2 | Confident | 91.4 | Very high | 118 Ų | 118 | 89.8 Ų | 89.8 | 45% | 0.445 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 172.2 | -79.4 | 179 | -71.9 | 167.8 | -6.1 | 112.5 | L806 Q851 K852 Q858 Q859 | L806-R855 HydrophobicContact CD2-CG 3.97Å; Q851-R855 WeakPolarHBondContact O-CG 3.1Å; Q851-R855 PolarHBondContact O-N 3.23Å; Q851-R855 PolarHBondContact O-NE 2.89Å; K852-R855 PolarHBondContact O-N 3.38Å; R855-Q858 PolarHBondContact O-N 3.32Å; R855-Q859 PolarHBondContact O-N 2.87Å |
| 856 | L | 91.6 | Very high | 91.7 | Very high | 111 Ų | 111 | 88.1 Ų | 88.1 | 58% | 0.581 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.6 | -41.8 | 175.1 | -176.2 | 63.9 | 0 | 0 | 0 | 111.4 | K852 S853 Q859 Q860 | K852-L856 PolarHBondContact O-N 3.47Å; K852-L856 VanDerWaalsContact O-N 3.15Å; S853-L856 WeakPolarHBondContact O-CB 3.47Å; S853-L856 PolarHBondContact O-N 3.35Å; L856-Q859 PolarHBondContact O-N 3.05Å; L856-Q860 PolarHBondContact O-N 2.99Å |
| 857 | Q | 92.1 | Very high | 92 | Very high | 137 Ų | 137 | 88.2 Ų | 88.2 | 64% | 0.64 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.9 | -38.8 | 175.6 | -169.1 | 178.8 | 9 | 0 | 0 | 112.2 | S853 E854 K861 | S853-Q857 PolarHBondContact O-N 3.37Å; E854-Q857 PolarHBondContact O-N 2.94Å; Q857-K861 WeakPolarHBondContact O-CB 3.31Å; Q857-K861 PolarHBondContact O-N 3.38Å |
| 858 | Q | 91.4 | Very high | 92.3 | Very high | 35 Ų | 35 | 92.3 Ų | 92.3 | 16% | 0.164 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 172.5 | -171.8 | -174.4 | 45.5 | 0 | 0 | 111.4 | E802 L806 E854 R855 K861 H862 | E802-Q858 PolarHBondContact O-NE2 3.04Å; L806-Q858 HydrophobicContact CD2-CB 4.12Å; L806-Q858 HydrophobicContact CD2-CG 4.44Å; E854-Q858 PolarHBondContact O-N 2.91Å; R855-Q858 PolarHBondContact O-N 3.32Å; Q858-K861 WeakPolarHBondContact O-CB 3.04Å; Q858-K861 PolarHBondContact O-N 3.25Å; Q858-H862 PolarHBondContact O-N 3.05Å |
| 859 | Q | 91.3 | Very high | 92.6 | Very high | 99 Ų | 99 | 88.3 Ų | 88.3 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59 | -49.6 | 176.4 | 174.9 | 174.6 | -12.7 | 0 | 0 | 111.4 | R855 L856 K861 H862 E863 | R855-Q859 PolarHBondContact O-N 2.87Å; L856-Q859 PolarHBondContact O-N 3.05Å; Q859-K861 VanDerWaalsContact C-N 3.3Å; Q859-K861 PolarHBondContact O-N 2.89Å; Q859-H862 WeakPolarHBondContact O-CB 3.35Å; Q859-H862 PolarHBondContact O-N 3.39Å; Q859-E863 HydrophobicContact CG-CG 4.43Å; Q859-E863 WeakPolarHBondContact CG-OE1 3.4Å; Q859-E863 PolarHBondContact NE2-OE1 3.3Å; Q859-E863 WeakPolarHBondContact O-CG 3.5Å; Q859-E863 PolarHBondContact O-N 2.6Å |
| 860 | Q | 94.3 | Very high | 92.8 | Very high | 114 Ų | 114 | 84.1 Ų | 84.1 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 179.2 | -167.4 | 179.4 | 15.1 | 0 | 0 | 112.3 | L856 N864 | L856-Q860 PolarHBondContact O-N 2.99Å; Q860-N864 PolarHBondContact O-N 3.26Å |
| 861 | K | 94 | Very high | 93 | Very high | 107 Ų | 107 | 83.1 Ų | 83.1 | 47% | 0.465 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 171.8 | -176.6 | -168.6 | 174.9 | -162.3 | 0 | 111.5 | Q857 Q858 Q859 N864 Q865 | Q857-K861 WeakPolarHBondContact O-CB 3.31Å; Q857-K861 PolarHBondContact O-N 3.38Å; Q858-K861 WeakPolarHBondContact O-CB 3.04Å; Q858-K861 PolarHBondContact O-N 3.25Å; Q859-K861 VanDerWaalsContact C-N 3.3Å; Q859-K861 PolarHBondContact O-N 2.89Å; K861-N864 PolarHBondContact O-N 2.95Å; K861-Q865 WeakPolarHBondContact O-CB 3.28Å; K861-Q865 VanDerWaalsContact O-CG 3.3Å; K861-Q865 WeakPolarHBondContact O-CG 3.45Å; K861-Q865 PolarHBondContact O-N 3.24Å |
| 862 | H | 94.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 86.2 Ų | 86.2 | 1% | 0.009 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | 179.3 | -72.3 | 177.3 | 0 | 0 | 0 | 112.5 | Q799 E802 K803 Q858 Q859 Q865 M866 | Q799-H862 HydrophobicContact CG-CB 4.15Å; Q799-H862 PolarHBondContact NE2-O 2.59Å; E802-H862 IonicContact OE2-CD2 2.66Å; E802-H862 IonicContact OE2-CE1 2.75Å; E802-H862 IonicContact OE2-NE2 3.92Å; E802-H862 PolarHBondContact OE2-NE2 2.86Å; K803-H862 WeakPolarHBondContact CE-ND1 3.33Å; Q858-H862 PolarHBondContact O-N 3.05Å; Q859-H862 WeakPolarHBondContact O-CB 3.35Å; Q859-H862 PolarHBondContact O-N 3.39Å; H862-Q865 PolarHBondContact CD2-OE1 2.91Å; H862-M866 WeakPolarHBondContact O-CB 3.38Å; H862-M866 PolarHBondContact O-N 3.33Å |
| 863 | E | 93.9 | Very high | 93.2 | Very high | 91 Ų | 91 | 79.5 Ų | 79.5 | 43% | 0.425 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 174.1 | -73.1 | 168.4 | -172.4 | 0 | 0 | 112 | Q859 M866 R867 | Q859-E863 HydrophobicContact CG-CG 4.43Å; Q859-E863 WeakPolarHBondContact CG-OE1 3.4Å; Q859-E863 PolarHBondContact NE2-OE1 3.3Å; Q859-E863 WeakPolarHBondContact O-CG 3.5Å; Q859-E863 PolarHBondContact O-N 2.6Å; E863-M866 PolarHBondContact O-N 3.33Å; E863-R867 PolarHBondContact O-N 3.43Å; E863-R867 VanDerWaalsContact O-N 3.1Å |
| 864 | N | 95.1 | Very high | 93.4 | Very high | 63 Ų | 63 | 82.2 Ų | 82.2 | 34% | 0.337 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -52.9 | 174.2 | -72.9 | -8.3 | 0 | 0 | 0 | 111.6 | Q860 K861 M866 R867 D868 | Q860-N864 PolarHBondContact O-N 3.26Å; K861-N864 PolarHBondContact O-N 2.95Å; N864-M866 PolarHBondContact O-N 2.89Å; N864-M866 VanDerWaalsContact O-N 3.1Å; N864-R867 WeakPolarHBondContact O-CA 3.47Å; N864-R867 WeakPolarHBondContact O-CB 3.21Å; N864-R867 PolarHBondContact O-N 3.04Å; N864-R867 PolarHBondContact OD1-NH1 3.06Å; N864-R867 PolarHBondContact OD1-NH2 3.07Å; N864-D868 PolarHBondContact O-N 3.49Å |
| 865 | Q | 94.6 | Very high | 93.5 | Very high | 54 Ų | 54 | 82 Ų | 82 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -54.1 | -34.8 | 177 | -74.5 | 175.7 | -33.1 | 0 | 0 | 113.2 | L795 K861 H862 M869 | L795-Q865 HydrophobicContact CD1-CB 4.43Å; L795-Q865 HydrophobicContact CD2-CB 4.33Å; L795-Q865 WeakPolarHBondContact CD2-O 3.35Å; K861-Q865 WeakPolarHBondContact O-CB 3.28Å; K861-Q865 VanDerWaalsContact O-CG 3.3Å; K861-Q865 WeakPolarHBondContact O-CG 3.45Å; K861-Q865 PolarHBondContact O-N 3.24Å; H862-Q865 PolarHBondContact CD2-OE1 2.91Å; Q865-M869 WeakPolarHBondContact O-CB 3.29Å; Q865-M869 PolarHBondContact O-N 2.97Å; Q865-M869 VanDerWaalsContact O-N 3.09Å |
| 866 | M | 95.4 | Very high | 93.5 | Very high | 79 Ų | 79 | 77.7 Ų | 77.7 | 39% | 0.389 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.9 | -40.3 | 177 | -170.5 | -180 | -59.9 | 0 | 0 | 111.9 | H862 E863 N864 M869 L870 | H862-M866 WeakPolarHBondContact O-CB 3.38Å; H862-M866 PolarHBondContact O-N 3.33Å; E863-M866 PolarHBondContact O-N 3.33Å; N864-M866 PolarHBondContact O-N 2.89Å; N864-M866 VanDerWaalsContact O-N 3.1Å; M866-M869 PolarHBondContact O-N 3.44Å; M866-L870 HydrophobicContact CG-CD1 4.39Å; M866-L870 VanDerWaalsContact O-CG 3.32Å; M866-L870 WeakPolarHBondContact O-CG 3.47Å; M866-L870 PolarHBondContact O-N 2.98Å |
| 867 | R | 96.1 | Very high | 93.6 | Very high | 139 Ų | 139 | 74.4 Ų | 74.4 | 53% | 0.525 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 174.6 | -165.7 | -173.2 | -52.3 | 101.9 | 5.6 | 111.4 | E863 N864 M869 L870 A871 | E863-R867 PolarHBondContact O-N 3.43Å; E863-R867 VanDerWaalsContact O-N 3.1Å; N864-R867 WeakPolarHBondContact O-CA 3.47Å; N864-R867 WeakPolarHBondContact O-CB 3.21Å; N864-R867 PolarHBondContact O-N 3.04Å; N864-R867 PolarHBondContact OD1-NH1 3.06Å; N864-R867 PolarHBondContact OD1-NH2 3.07Å; R867-M869 VanDerWaalsContact C-N 3.32Å; R867-M869 PolarHBondContact O-N 3.23Å; R867-L870 PolarHBondContact O-N 3.31Å; R867-A871 PolarHBondContact O-N 3.02Å |
| 868 | D | 94.8 | Very high | 93.7 | Very high | 100 Ų | 100 | 71.6 Ų | 71.6 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 180 | -51 | -25.7 | 0 | 0 | 0 | 110.8 | N864 A871 Q872 | N864-D868 PolarHBondContact O-N 3.49Å; D868-A871 PolarHBondContact O-N 2.93Å; D868-Q872 PolarHBondContact O-N 3.36Å |
| 869 | M | 94.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 74.4 Ų | 74.4 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 175.8 | -172.4 | 60.9 | 59.9 | 0 | 0 | 113 | M791 I792 L795 Q865 M866 R867 Q872 C873 | M791-M869 HydrophobicContact CB-SD 3.99Å; M791-M869 HydrophobicContact CE-CE 4.43Å; M791-M869 HydrophobicContact CE-SD 4.37Å; I792-M869 HydrophobicContact CG1-CG 4.11Å; L795-M869 HydrophobicContact CD2-CB 3.63Å; L795-M869 HydrophobicContact CD2-CE 4.18Å; L795-M869 HydrophobicContact CD2-CG 3.92Å; Q865-M869 WeakPolarHBondContact O-CB 3.29Å; Q865-M869 PolarHBondContact O-N 2.97Å; Q865-M869 VanDerWaalsContact O-N 3.09Å; M866-M869 PolarHBondContact O-N 3.44Å; R867-M869 VanDerWaalsContact C-N 3.32Å; R867-M869 PolarHBondContact O-N 3.23Å; M869-Q872 PolarHBondContact O-N 3.04Å; M869-C873 PolarHBondContact O-N 3.07Å; M869-C873 PolarHBondContact O-SG 2.94Å |
| 870 | L | 94.5 | Very high | 93.6 | Very high | 78 Ų | 78 | 70.7 Ų | 70.7 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 175.6 | -72.7 | 168 | 0 | 0 | 0 | 111.2 | I792 M866 R867 Q872 C873 E874 | I792-L870 HydrophobicContact CD1-CD2 3.85Å; I792-L870 HydrophobicContact CG1-CD2 4.48Å; M866-L870 HydrophobicContact CG-CD1 4.39Å; M866-L870 VanDerWaalsContact O-CG 3.32Å; M866-L870 WeakPolarHBondContact O-CG 3.47Å; M866-L870 PolarHBondContact O-N 2.98Å; R867-L870 PolarHBondContact O-N 3.31Å; L870-Q872 VanDerWaalsContact C-N 3.31Å; L870-Q872 PolarHBondContact O-N 2.89Å; L870-C873 WeakPolarHBondContact O-CA 3.4Å; L870-C873 WeakPolarHBondContact O-CB 3.45Å; L870-C873 PolarHBondContact O-N 3.49Å; L870-E874 PolarHBondContact O-N 3.48Å |
| 871 | A | 94.4 | Very high | 93.5 | Very high | 54 Ų | 54 | 69.4 Ų | 69.4 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R867 D868 C873 E874 S875 | R867-A871 PolarHBondContact O-N 3.02Å; D868-A871 PolarHBondContact O-N 2.93Å; A871-C873 VanDerWaalsContact C-N 3.35Å; A871-C873 PolarHBondContact O-N 3.33Å; A871-E874 PolarHBondContact O-N 3.37Å; A871-S875 PolarHBondContact O-N 2.76Å |
| 872 | Q | 92 | Very high | 93.4 | Very high | 101 Ų | 101 | 69.8 Ų | 69.8 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 172.8 | -172.8 | 64.1 | 62.5 | 0 | 0 | 112 | D868 M869 L870 E874 S875 N876 | D868-Q872 PolarHBondContact O-N 3.36Å; M869-Q872 PolarHBondContact O-N 3.04Å; L870-Q872 VanDerWaalsContact C-N 3.31Å; L870-Q872 PolarHBondContact O-N 2.89Å; Q872-E874 VanDerWaalsContact C-N 3.34Å; Q872-E874 PolarHBondContact O-N 3.42Å; Q872-S875 PolarHBondContact O-N 3.13Å; Q872-N876 PolarHBondContact NE2-OD1 2.98Å; Q872-N876 PolarHBondContact O-N 3.05Å; Q872-N876 PolarHBondContact O-ND2 3.33Å; Q872-N876 PolarHBondContact O-OD1 2.95Å; Q872-N876 VanDerWaalsContact O-OD1 3.05Å |
| 873 | C | 92.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 74.1 Ų | 74.1 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 176.8 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | N788 M869 L870 A871 M877 | N788-C873 HydrophobicContact CB-CB 3.91Å; N788-C873 PolarHBondContact ND2-O 3.33Å; M869-C873 PolarHBondContact O-N 3.07Å; M869-C873 PolarHBondContact O-SG 2.94Å; L870-C873 WeakPolarHBondContact O-CA 3.4Å; L870-C873 WeakPolarHBondContact O-CB 3.45Å; L870-C873 PolarHBondContact O-N 3.49Å; A871-C873 VanDerWaalsContact C-N 3.35Å; A871-C873 PolarHBondContact O-N 3.33Å; C873-M877 VanDerWaalsContact O-CG 3.23Å; C873-M877 WeakPolarHBondContact O-CG 3.47Å; C873-M877 PolarHBondContact O-N 2.93Å |
| 874 | E | 94.2 | Very high | 92.9 | Very high | 132 Ų | 132 | 70 Ų | 70 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68 | -39.1 | 174.8 | -70.9 | 172.8 | -177.2 | 0 | 0 | 111.9 | L870 A871 Q872 M877 S878 | L870-E874 PolarHBondContact O-N 3.48Å; A871-E874 PolarHBondContact O-N 3.37Å; Q872-E874 VanDerWaalsContact C-N 3.34Å; Q872-E874 PolarHBondContact O-N 3.42Å; E874-M877 PolarHBondContact O-N 2.96Å; E874-S878 WeakPolarHBondContact O-CB 3.42Å; E874-S878 PolarHBondContact O-N 3.21Å; E874-S878 PolarHBondContact O-OG 3.05Å |
| 875 | S | 93.3 | Very high | 92.7 | Very high | 53 Ų | 53 | 71.5 Ų | 71.5 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -53.5 | 172.3 | -158.8 | 0 | 0 | 0 | 0 | 111.1 | A871 Q872 M877 S878 E879 | A871-S875 PolarHBondContact O-N 2.76Å; Q872-S875 PolarHBondContact O-N 3.13Å; S875-M877 PolarHBondContact O-N 3.44Å; S875-S878 PolarHBondContact O-N 3.19Å; S875-E879 VanDerWaalsContact C-OE1 3.27Å; S875-E879 WeakPolarHBondContact CB-OE1 3.37Å; S875-E879 WeakPolarHBondContact O-CB 3.38Å; S875-E879 WeakPolarHBondContact O-CG 3.34Å; S875-E879 PolarHBondContact O-N 3.34Å; S875-E879 PolarHBondContact OG-OE1 2.67Å |
| 876 | N | 88.6 | Confident | 92.6 | Very high | 27 Ų | 27 | 72.9 Ų | 72.9 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -52.6 | -34.8 | 177.9 | -62.9 | -8.9 | 0 | 0 | 0 | 112.9 | M784 N788 Q872 L880 | M784-N876 HydrophobicContact CG-CB 4.48Å; M784-N876 HydrophobicContact SD-CB 4.02Å; N788-N876 PolarHBondContact OD1-ND2 2.92Å; Q872-N876 PolarHBondContact NE2-OD1 2.98Å; Q872-N876 PolarHBondContact O-N 3.05Å; Q872-N876 PolarHBondContact O-ND2 3.33Å; Q872-N876 PolarHBondContact O-OD1 2.95Å; Q872-N876 VanDerWaalsContact O-OD1 3.05Å; N876-L880 WeakPolarHBondContact O-CB 3.44Å; N876-L880 PolarHBondContact O-N 2.97Å |
| 877 | M | 93.6 | Very high | 92.2 | Very high | 43 Ų | 43 | 72.8 Ų | 72.8 | 21% | 0.212 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -80.7 | -36.5 | 179.1 | -68.5 | -97.4 | 54.4 | 0 | 0 | 112.6 | R781 M784 Q785 N788 C873 E874 S875 L880 Q881 | R781-M877 HydrophobicContact CG-CE 4.11Å; M784-M877 HydrophobicContact CB-CE 3.8Å; M784-M877 HydrophobicContact CG-CE 3.73Å; M784-M877 HydrophobicContact CG-SD 4.38Å; Q785-M877 HydrophobicContact CG-CE 4.47Å; Q785-M877 HydrophobicContact CG-SD 3.63Å; N788-M877 WeakPolarHBondContact ND2-CG 3.35Å; C873-M877 VanDerWaalsContact O-CG 3.23Å; C873-M877 WeakPolarHBondContact O-CG 3.47Å; C873-M877 PolarHBondContact O-N 2.93Å; E874-M877 PolarHBondContact O-N 2.96Å; S875-M877 PolarHBondContact O-N 3.44Å; M877-L880 HydrophobicContact CE-CD2 3.91Å; M877-Q881 WeakPolarHBondContact O-CB 3.37Å; M877-Q881 PolarHBondContact O-N 3.43Å |
| 878 | S | 93.8 | Very high | 91.9 | Very high | 78 Ų | 78 | 68.1 Ų | 68.1 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | E874 S875 Q881 Q882 | E874-S878 WeakPolarHBondContact O-CB 3.42Å; E874-S878 PolarHBondContact O-N 3.21Å; E874-S878 PolarHBondContact O-OG 3.05Å; S875-S878 PolarHBondContact O-N 3.19Å; S878-Q881 PolarHBondContact O-N 3.24Å; S878-Q882 PolarHBondContact O-N 3.06Å |
| 879 | E | 90.9 | Very high | 91.8 | Very high | 94 Ų | 94 | 69.4 Ų | 69.4 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 174.2 | -69.7 | 164.3 | -124.6 | 0 | 0 | 111.4 | S875 Q882 L883 | S875-E879 VanDerWaalsContact C-OE1 3.27Å; S875-E879 WeakPolarHBondContact CB-OE1 3.37Å; S875-E879 WeakPolarHBondContact O-CB 3.38Å; S875-E879 WeakPolarHBondContact O-CG 3.34Å; S875-E879 PolarHBondContact O-N 3.34Å; S875-E879 PolarHBondContact OG-OE1 2.67Å; E879-Q882 PolarHBondContact O-N 3.05Å; E879-L883 WeakPolarHBondContact O-CG 3.38Å; E879-L883 PolarHBondContact O-N 2.91Å |
| 880 | L | 90.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 72.6 Ų | 72.6 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.7 | 179.8 | 61.6 | 0 | 0 | 0 | 111.5 | E780 M784 N876 M877 Q882 L883 Q884 | E780-L880 HydrophobicContact CB-CD1 4.3Å; E780-L880 HydrophobicContact CB-CD2 4.36Å; M784-L880 HydrophobicContact CB-CD2 3.69Å; M784-L880 HydrophobicContact CG-CD2 4.15Å; N876-L880 WeakPolarHBondContact O-CB 3.44Å; N876-L880 PolarHBondContact O-N 2.97Å; M877-L880 HydrophobicContact CE-CD2 3.91Å; L880-Q882 VanDerWaalsContact C-N 3.31Å; L880-Q882 PolarHBondContact O-N 3.5Å; L880-L883 PolarHBondContact O-N 3.32Å; L880-Q884 HydrophobicContact CD1-CG 4.26Å; L880-Q884 HydrophobicContact CG-CG 4.46Å; L880-Q884 WeakPolarHBondContact O-CB 3.4Å; L880-Q884 VanDerWaalsContact O-CG 3.26Å; L880-Q884 WeakPolarHBondContact O-CG 3.23Å; L880-Q884 PolarHBondContact O-N 3.34Å |
| 881 | Q | 92.9 | Very high | 91.5 | Very high | 86 Ų | 86 | 70.1 Ų | 70.1 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64 | -36.1 | 178.8 | -173.4 | 60.9 | 72.8 | 0 | 0 | 112.1 | M877 S878 Q884 N885 | M877-Q881 WeakPolarHBondContact O-CB 3.37Å; M877-Q881 PolarHBondContact O-N 3.43Å; S878-Q881 PolarHBondContact O-N 3.24Å; Q881-Q884 PolarHBondContact O-N 3.32Å; Q881-N885 PolarHBondContact NE2-OD1 3.25Å; Q881-N885 PolarHBondContact O-N 2.97Å; Q881-N885 PolarHBondContact O-ND2 3.38Å; Q881-N885 PolarHBondContact O-OD1 3.03Å |
| 882 | Q | 91.4 | Very high | 91.4 | Very high | 116 Ų | 116 | 70.7 Ų | 70.7 | 54% | 0.542 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.1 | -52.3 | 172.5 | 179.6 | -179.7 | -25.2 | 0 | 0 | 111.1 | S878 E879 L880 Q884 N885 E886 | S878-Q882 PolarHBondContact O-N 3.06Å; E879-Q882 PolarHBondContact O-N 3.05Å; L880-Q882 VanDerWaalsContact C-N 3.31Å; L880-Q882 PolarHBondContact O-N 3.5Å; Q882-Q884 PolarHBondContact O-N 3.15Å; Q882-N885 WeakPolarHBondContact O-CA 3.39Å; Q882-N885 WeakPolarHBondContact O-CB 3.5Å; Q882-N885 PolarHBondContact O-N 3.49Å; Q882-E886 HydrophobicContact CG-CG 4.5Å; Q882-E886 WeakPolarHBondContact CG-OE1 3.41Å; Q882-E886 PolarHBondContact NE2-OE1 3.16Å; Q882-E886 WeakPolarHBondContact O-CG 3.39Å; Q882-E886 PolarHBondContact O-N 3.48Å |
| 883 | L | 88 | Confident | 91.4 | Very high | 92 Ų | 92 | 70 Ų | 70 | 48% | 0.482 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.6 | -34.7 | 178 | -69.5 | 170.2 | 0 | 0 | 0 | 112.3 | E879 L880 K887 | E879-L883 WeakPolarHBondContact O-CG 3.38Å; E879-L883 PolarHBondContact O-N 2.91Å; L880-L883 PolarHBondContact O-N 3.32Å; L883-K887 VanDerWaalsContact O-CG 3.26Å; L883-K887 WeakPolarHBondContact O-CG 3.48Å; L883-K887 PolarHBondContact O-N 3.43Å |
| 884 | Q | 90.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 73.3 Ų | 73.3 | 2% | 0.023 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 174.3 | -71.8 | -176.3 | -6 | 0 | 0 | 112.5 | H777 E780 L880 Q881 Q882 C888 | H777-Q884 VanDerWaalsContact CA-NE2 3.3Å; H777-Q884 HydrophobicContact CB-CG 4.12Å; H777-Q884 PolarHBondContact CE1-O 3.28Å; H777-Q884 PolarHBondContact O-NE2 3.46Å; E780-Q884 PolarHBondContact OE2-NE2 3.44Å; L880-Q884 HydrophobicContact CD1-CG 4.26Å; L880-Q884 HydrophobicContact CG-CG 4.46Å; L880-Q884 WeakPolarHBondContact O-CB 3.4Å; L880-Q884 VanDerWaalsContact O-CG 3.26Å; L880-Q884 WeakPolarHBondContact O-CG 3.23Å; L880-Q884 PolarHBondContact O-N 3.34Å; Q881-Q884 PolarHBondContact O-N 3.32Å; Q882-Q884 PolarHBondContact O-N 3.15Å; Q884-C888 PolarHBondContact O-N 2.95Å; Q884-C888 VanDerWaalsContact O-N 3.1Å; Q884-C888 PolarHBondContact O-SG 3.09Å; Q884-C888 VanDerWaalsContact O-SG 3.35Å |
| 885 | N | 90.5 | Very high | 91.5 | Very high | 94 Ų | 94 | 67.9 Ų | 67.9 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 174.3 | -65.5 | -11.9 | 0 | 0 | 0 | 111.6 | Q881 Q882 C888 H889 | Q881-N885 PolarHBondContact NE2-OD1 3.25Å; Q881-N885 PolarHBondContact O-N 2.97Å; Q881-N885 PolarHBondContact O-ND2 3.38Å; Q881-N885 PolarHBondContact O-OD1 3.03Å; Q882-N885 WeakPolarHBondContact O-CA 3.39Å; Q882-N885 WeakPolarHBondContact O-CB 3.5Å; Q882-N885 PolarHBondContact O-N 3.49Å; N885-C888 WeakPolarHBondContact O-CB 3.24Å; N885-C888 PolarHBondContact O-N 2.95Å; N885-H889 PolarHBondContact O-N 3.29Å |
| 886 | E | 91.9 | Very high | 91.6 | Very high | 84 Ų | 84 | 69.4 Ų | 69.4 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176 | -71.2 | 171.2 | -170.2 | 0 | 0 | 111.9 | Q882 C888 H889 L890 | Q882-E886 HydrophobicContact CG-CG 4.5Å; Q882-E886 WeakPolarHBondContact CG-OE1 3.41Å; Q882-E886 PolarHBondContact NE2-OE1 3.16Å; Q882-E886 WeakPolarHBondContact O-CG 3.39Å; Q882-E886 PolarHBondContact O-N 3.48Å; E886-C888 VanDerWaalsContact C-N 3.31Å; E886-C888 PolarHBondContact O-N 3.27Å; E886-H889 PolarHBondContact O-N 3.38Å; E886-L890 WeakPolarHBondContact O-CG 3.42Å; E886-L890 PolarHBondContact O-N 3.02Å |
| 887 | K | 87.8 | Confident | 91.8 | Very high | 76 Ų | 76 | 73.3 Ų | 73.3 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.7 | -45 | 172 | -73.1 | 167.4 | -175.6 | 175.3 | 0 | 111.9 | L773 H777 E780 L883 L891 | L773-K887 HydrophobicContact CD1-CB 4.37Å; L773-K887 HydrophobicContact CD1-CD 4.42Å; L773-K887 HydrophobicContact CD2-CB 4.3Å; H777-K887 WeakPolarHBondContact NE2-CD 3.38Å; E780-K887 IonicContact OE1-NZ 3.55Å; E780-K887 PolarHBondContact OE1-NZ 3.26Å; E780-K887 IonicContact OE2-NZ 3.26Å; E780-K887 PolarHBondContact OE2-NZ 2.63Å; L883-K887 VanDerWaalsContact O-CG 3.26Å; L883-K887 WeakPolarHBondContact O-CG 3.48Å; L883-K887 PolarHBondContact O-N 3.43Å; K887-L891 PolarHBondContact O-N 3.41Å; K887-L891 VanDerWaalsContact O-N 3.16Å |
| 888 | C | 89.8 | Confident | 91.9 | Very high | 42 Ų | 42 | 76.2 Ų | 76.2 | 28% | 0.284 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 177.8 | -74.9 | 0 | 0 | 0 | 0 | 112.6 | Q884 N885 E886 L891 V892 | Q884-C888 PolarHBondContact O-N 2.95Å; Q884-C888 VanDerWaalsContact O-N 3.1Å; Q884-C888 PolarHBondContact O-SG 3.09Å; Q884-C888 VanDerWaalsContact O-SG 3.35Å; N885-C888 WeakPolarHBondContact O-CB 3.24Å; N885-C888 PolarHBondContact O-N 2.95Å; E886-C888 VanDerWaalsContact C-N 3.31Å; E886-C888 PolarHBondContact O-N 3.27Å; C888-L891 PolarHBondContact O-N 2.84Å; C888-V892 WeakPolarHBondContact O-CG2 3.37Å; C888-V892 PolarHBondContact O-N 2.98Å; C888-V892 VanDerWaalsContact O-N 3.13Å |
| 889 | H | 91.3 | Very high | 92 | Very high | 127 Ų | 127 | 73.8 Ų | 73.8 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.5 | -50.5 | 177.8 | -174.6 | -76.5 | 0 | 0 | 0 | 111.3 | N885 E886 L891 V892 E893 | N885-H889 PolarHBondContact O-N 3.29Å; E886-H889 PolarHBondContact O-N 3.38Å; H889-L891 VanDerWaalsContact C-N 3.27Å; H889-L891 PolarHBondContact O-N 2.86Å; H889-V892 PolarHBondContact O-N 2.78Å; H889-E893 IonicContact CE1-OE2 2.65Å; H889-E893 IonicContact ND1-OE2 2.67Å; H889-E893 WeakPolarHBondContact O-CB 3.33Å; H889-E893 PolarHBondContact O-N 2.95Å |
| 890 | L | 92.3 | Very high | 92.2 | Very high | 110 Ų | 110 | 75.3 Ų | 75.3 | 58% | 0.576 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.6 | -36.3 | 179.2 | -69.3 | 169.1 | 0 | 0 | 0 | 112.4 | E886 H894 | E886-L890 WeakPolarHBondContact O-CG 3.42Å; E886-L890 PolarHBondContact O-N 3.02Å; L890-H894 VanDerWaalsContact O-CB 3.29Å; L890-H894 WeakPolarHBondContact O-CB 3.37Å; L890-H894 PolarHBondContact O-N 3.3Å |
| 891 | L | 91.1 | Very high | 92.5 | Very high | 27 Ų | 27 | 76.5 Ų | 76.5 | 14% | 0.141 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 176.2 | -177.2 | 58.8 | 0 | 0 | 0 | 112.4 | Y766 Q769 R770 L773 K887 C888 H889 H894 E895 | Y766-L891 HydrophobicContact CD1-CD1 3.84Å; Y766-L891 HydrophobicContact CE1-CD1 3.91Å; Q769-L891 HydrophobicContact CB-CD1 4.38Å; Q769-L891 HydrophobicContact CB-CD2 4.23Å; R770-L891 HydrophobicContact CB-CD2 4.43Å; R770-L891 HydrophobicContact CG-CD2 3.65Å; R770-L891 HydrophobicContact CG-CG 4.31Å; L773-L891 HydrophobicContact CB-CD2 4.46Å; L773-L891 HydrophobicContact CD2-CB 4.48Å; L773-L891 HydrophobicContact CD2-CD2 3.77Å; K887-L891 PolarHBondContact O-N 3.41Å; K887-L891 VanDerWaalsContact O-N 3.16Å; C888-L891 PolarHBondContact O-N 2.84Å; H889-L891 VanDerWaalsContact C-N 3.27Å; H889-L891 PolarHBondContact O-N 2.86Å; L891-H894 PolarHBondContact O-N 3.22Å; L891-E895 WeakPolarHBondContact O-CB 3.4Å; L891-E895 PolarHBondContact O-N 2.99Å |
| 892 | V | 93.4 | Very high | 92.6 | Very high | 66 Ų | 66 | 74.1 Ų | 74.1 | 40% | 0.4 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.5 | -35.4 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | C888 H889 T896 | C888-V892 WeakPolarHBondContact O-CG2 3.37Å; C888-V892 PolarHBondContact O-N 2.98Å; C888-V892 VanDerWaalsContact O-N 3.13Å; H889-V892 PolarHBondContact O-N 2.78Å; V892-T896 WeakPolarHBondContact O-CB 3.48Å; V892-T896 PolarHBondContact O-N 3.46Å; V892-T896 PolarHBondContact O-OG1 2.84Å |
| 893 | E | 92.1 | Very high | 92.9 | Very high | 86 Ų | 86 | 70.9 Ų | 70.9 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 172.7 | -166.5 | -175.1 | 159.7 | 0 | 0 | 110.7 | H889 T896 Q897 | H889-E893 IonicContact CE1-OE2 2.65Å; H889-E893 IonicContact ND1-OE2 2.67Å; H889-E893 WeakPolarHBondContact O-CB 3.33Å; H889-E893 PolarHBondContact O-N 2.95Å; E893-T896 WeakPolarHBondContact O-CB 3.35Å; E893-T896 PolarHBondContact O-N 3.12Å; E893-Q897 WeakPolarHBondContact O-CG 3.26Å; E893-Q897 PolarHBondContact O-N 3.05Å; E893-Q897 PolarHBondContact OE1-NE2 3.19Å |
| 894 | H | 93.5 | Very high | 93.3 | Very high | 81 Ų | 81 | 71.7 Ų | 71.7 | 38% | 0.375 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 176.8 | -176 | -135.7 | 0 | 0 | 0 | 112.7 | Y766 L890 L891 T896 Q897 K898 | Y766-H894 AromaticContact CE1-ND1 3.91Å; Y766-H894 AromaticContact CZ-ND1 3.96Å; Y766-H894 PolarHBondContact OH-CE1 3.45Å; Y766-H894 PolarHBondContact OH-ND1 3.1Å; Y766-H894 VanDerWaalsContact OH-ND1 3.1Å; L890-H894 VanDerWaalsContact O-CB 3.29Å; L890-H894 WeakPolarHBondContact O-CB 3.37Å; L890-H894 PolarHBondContact O-N 3.3Å; L891-H894 PolarHBondContact O-N 3.22Å; H894-T896 VanDerWaalsContact C-N 3.33Å; H894-T896 PolarHBondContact O-N 3.1Å; H894-Q897 PolarHBondContact O-N 2.95Å; H894-K898 WeakPolarHBondContact NE2-CE 3.5Å; H894-K898 WeakPolarHBondContact O-CB 3.44Å; H894-K898 VanDerWaalsContact O-CG 3.3Å; H894-K898 WeakPolarHBondContact O-CG 3.38Å; H894-K898 PolarHBondContact O-N 3.41Å |
| 895 | E | 94.2 | Very high | 93.5 | Very high | 17 Ų | 17 | 74.3 Ų | 74.3 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -54.9 | -48.6 | 169.7 | 177.1 | 178.7 | -163.9 | 0 | 0 | 111 | Y766 R770 L891 K898 L899 | Y766-E895 HydrophobicContact CD1-CB 3.7Å; Y766-E895 HydrophobicContact CD1-CG 4.24Å; Y766-E895 HydrophobicContact CD2-CB 3.92Å; Y766-E895 HydrophobicContact CD2-CG 3.73Å; Y766-E895 HydrophobicContact CE1-CB 4Å; Y766-E895 HydrophobicContact CE2-CB 4.21Å; Y766-E895 HydrophobicContact CE2-CG 4.38Å; Y766-E895 HydrophobicContact CG-CB 3.67Å; Y766-E895 HydrophobicContact CG-CG 3.66Å; R770-E895 IonicContact CZ-OE1 3.05Å; R770-E895 IonicContact CZ-OE2 3.21Å; R770-E895 IonicContact NE-OE2 2.68Å; R770-E895 IonicContact NH1-OE1 3.86Å; R770-E895 PolarHBondContact NH1-OE1 3.19Å; R770-E895 IonicContact NH1-OE2 2.79Å; R770-E895 PolarHBondContact NH1-OE2 2.84Å; R770-E895 VanDerWaalsContact NH2-CD 3.28Å; R770-E895 IonicContact NH2-OE1 3.94Å; R770-E895 PolarHBondContact NH2-OE1 2.81Å; R770-E895 IonicContact NH2-OE2 3.91Å; R770-E895 PolarHBondContact NH2-OE2 2.92Å; L891-E895 WeakPolarHBondContact O-CB 3.4Å; L891-E895 PolarHBondContact O-N 2.99Å; E895-K898 PolarHBondContact O-N 2.94Å; E895-L899 HydrophobicContact CG-CD1 3.84Å; E895-L899 WeakPolarHBondContact O-CB 3.41Å; E895-L899 WeakPolarHBondContact O-CG 3.32Å; E895-L899 PolarHBondContact O-N 2.95Å |
| 896 | T | 95.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 70.6 Ų | 70.6 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | -178.8 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | V892 E893 H894 K900 | V892-T896 WeakPolarHBondContact O-CB 3.48Å; V892-T896 PolarHBondContact O-N 3.46Å; V892-T896 PolarHBondContact O-OG1 2.84Å; E893-T896 WeakPolarHBondContact O-CB 3.35Å; E893-T896 PolarHBondContact O-N 3.12Å; H894-T896 VanDerWaalsContact C-N 3.33Å; H894-T896 PolarHBondContact O-N 3.1Å; T896-K900 WeakPolarHBondContact O-CB 3.48Å; T896-K900 PolarHBondContact O-N 2.9Å |
| 897 | Q | 94.4 | Very high | 93.9 | Very high | 109 Ų | 109 | 71.3 Ų | 71.3 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.8 | -70.3 | 178.5 | 15.2 | 0 | 0 | 111.8 | E893 H894 K900 A901 | E893-Q897 WeakPolarHBondContact O-CG 3.26Å; E893-Q897 PolarHBondContact O-N 3.05Å; E893-Q897 PolarHBondContact OE1-NE2 3.19Å; H894-Q897 PolarHBondContact O-N 2.95Å; Q897-K900 PolarHBondContact O-N 3.01Å; Q897-A901 WeakPolarHBondContact O-CB 3.3Å; Q897-A901 PolarHBondContact O-N 3.24Å |
| 898 | K | 94.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 71.7 Ų | 71.7 | 45% | 0.452 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.3 | -38.2 | 179.2 | -70 | -71.6 | -172.7 | 176.7 | 0 | 112.9 | L762 Y766 H894 E895 K900 A901 L902 | L762-K898 HydrophobicContact CD2-CB 4.22Å; Y766-K898 HydrophobicContact CE2-CB 4.28Å; Y766-K898 WeakPolarHBondContact OH-CG 3.27Å; H894-K898 WeakPolarHBondContact NE2-CE 3.5Å; H894-K898 WeakPolarHBondContact O-CB 3.44Å; H894-K898 VanDerWaalsContact O-CG 3.3Å; H894-K898 WeakPolarHBondContact O-CG 3.38Å; H894-K898 PolarHBondContact O-N 3.41Å; E895-K898 PolarHBondContact O-N 2.94Å; K898-K900 VanDerWaalsContact C-N 3.35Å; K898-A901 PolarHBondContact O-N 3.14Å; K898-L902 WeakPolarHBondContact O-CB 3.38Å; K898-L902 PolarHBondContact O-N 3.29Å |
| 899 | L | 95.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 73.4 Ų | 73.4 | 14% | 0.141 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 171.4 | -77.1 | 167.1 | 0 | 0 | 0 | 111.3 | K759 L762 K763 E895 L902 D903 | K759-L899 HydrophobicContact CG-CD2 3.85Å; L762-L899 HydrophobicContact CD2-CD2 4.03Å; L762-L899 HydrophobicContact CD2-CG 4.28Å; K763-L899 HydrophobicContact CG-CD1 4.48Å; K763-L899 HydrophobicContact CG-CD2 4.21Å; E895-L899 HydrophobicContact CG-CD1 3.84Å; E895-L899 WeakPolarHBondContact O-CB 3.41Å; E895-L899 WeakPolarHBondContact O-CG 3.32Å; E895-L899 PolarHBondContact O-N 2.95Å; L899-L902 PolarHBondContact O-N 3.32Å; L899-D903 PolarHBondContact O-N 3.07Å |
| 900 | K | 96 | Very high | 94.6 | Very high | 125 Ų | 125 | 68 Ų | 68 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 174.8 | 178.9 | 178.3 | 168.3 | -177.7 | 0 | 112.1 | T896 Q897 K898 L902 D903 E904 | T896-K900 WeakPolarHBondContact O-CB 3.48Å; T896-K900 PolarHBondContact O-N 2.9Å; Q897-K900 PolarHBondContact O-N 3.01Å; K898-K900 VanDerWaalsContact C-N 3.35Å; K900-L902 VanDerWaalsContact C-N 3.3Å; K900-L902 PolarHBondContact O-N 2.97Å; K900-D903 PolarHBondContact O-N 3.36Å; K900-E904 WeakPolarHBondContact CE-OE1 3.02Å; K900-E904 HydrophobicContact CG-CG 4.48Å; K900-E904 IonicContact NZ-OE1 3.77Å; K900-E904 WeakPolarHBondContact O-CG 3.46Å; K900-E904 PolarHBondContact O-N 2.8Å |
| 901 | A | 94.9 | Very high | 94.7 | Very high | 47 Ų | 47 | 68.1 Ų | 68.1 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -33.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q897 K898 S905 | Q897-A901 WeakPolarHBondContact O-CB 3.3Å; Q897-A901 PolarHBondContact O-N 3.24Å; K898-A901 PolarHBondContact O-N 3.14Å; A901-S905 VanDerWaalsContact O-CB 3.3Å; A901-S905 WeakPolarHBondContact O-CB 3.5Å; A901-S905 PolarHBondContact O-N 3.44Å |
| 902 | L | 96.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 70.2 Ų | 70.2 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 173 | 179.2 | 64.9 | 0 | 0 | 0 | 111.8 | V758 K759 L762 K898 L899 K900 S905 H906 | V758-L902 HydrophobicContact CG1-CD1 3.87Å; V758-L902 HydrophobicContact CG1-CD2 4.05Å; K759-L902 HydrophobicContact CB-CD2 3.86Å; K759-L902 HydrophobicContact CG-CD2 4.27Å; L762-L902 HydrophobicContact CD2-CD2 4.09Å; K898-L902 WeakPolarHBondContact O-CB 3.38Å; K898-L902 PolarHBondContact O-N 3.29Å; L899-L902 PolarHBondContact O-N 3.32Å; K900-L902 VanDerWaalsContact C-N 3.3Å; K900-L902 PolarHBondContact O-N 2.97Å; L902-S905 PolarHBondContact O-N 2.88Å; L902-H906 WeakPolarHBondContact O-CB 3.4Å; L902-H906 PolarHBondContact O-N 3.12Å |
| 903 | D | 96.5 | Very high | 95 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 176.1 | -70.4 | -0.4 | 0 | 0 | 0 | 111.6 | H755 K759 L899 K900 H906 N907 | H755-D903 IonicContact CE1-OD1 2.74Å; H755-D903 PolarHBondContact CE1-OD1 3.04Å; H755-D903 IonicContact NE2-OD1 3.73Å; H755-D903 PolarHBondContact NE2-OD1 3Å; K759-D903 WeakPolarHBondContact CE-OD1 3.37Å; K759-D903 IonicContact NZ-OD1 3.83Å; K759-D903 PolarHBondContact NZ-OD1 3.01Å; K759-D903 IonicContact NZ-OD2 3.3Å; K759-D903 PolarHBondContact NZ-OD2 3.02Å; L899-D903 PolarHBondContact O-N 3.07Å; K900-D903 PolarHBondContact O-N 3.36Å; D903-H906 PolarHBondContact O-N 3.3Å; D903-N907 PolarHBondContact O-N 3.08Å; D903-N907 PolarHBondContact O-ND2 2.88Å |
| 904 | E | 96.5 | Very high | 95 | Very high | 109 Ų | 109 | 69.2 Ų | 69.2 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.1 | -72.7 | 173 | 169.5 | 0 | 0 | 111.7 | K900 H906 N907 Q908 | K900-E904 WeakPolarHBondContact CE-OE1 3.02Å; K900-E904 HydrophobicContact CG-CG 4.48Å; K900-E904 IonicContact NZ-OE1 3.77Å; K900-E904 WeakPolarHBondContact O-CG 3.46Å; K900-E904 PolarHBondContact O-N 2.8Å; E904-H906 PolarHBondContact O-N 3.15Å; E904-N907 PolarHBondContact O-N 3.34Å; E904-Q908 PolarHBondContact O-N 3.3Å |
| 905 | S | 94.8 | Very high | 95 | Very high | 59 Ų | 59 | 69.1 Ų | 69.1 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | A901 L902 Q908 N909 | A901-S905 VanDerWaalsContact O-CB 3.3Å; A901-S905 WeakPolarHBondContact O-CB 3.5Å; A901-S905 PolarHBondContact O-N 3.44Å; L902-S905 PolarHBondContact O-N 2.88Å; S905-Q908 PolarHBondContact O-N 3.28Å; S905-N909 PolarHBondContact O-N 3.11Å; S905-N909 PolarHBondContact O-ND2 3.44Å; S905-N909 VanDerWaalsContact O-ND2 3.16Å |
| 906 | H | 95.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 74.1 Ų | 74.1 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.2 | -178.1 | 49.5 | 0 | 0 | 0 | 112.7 | L751 Q752 H755 L902 D903 E904 Q908 N909 L910 | L751-H906 PolarHBondContact O-CE1 3.15Å; Q752-H906 PolarHBondContact OE1-NE2 3.12Å; H755-H906 HydrophobicContact CB-CB 4.35Å; H755-H906 VanDerWaalsContact CB-CE1 3.5Å; H755-H906 WeakPolarHBondContact CB-CE1 3.38Å; H755-H906 AromaticContact CD2-CD2 3.35Å; H755-H906 PolarHBondContact CD2-CD2 3.17Å; H755-H906 AromaticContact CD2-CG 3.9Å; H755-H906 AromaticContact CD2-NE2 3.77Å; H755-H906 AromaticContact CG-CD2 3.3Å; H755-H906 AromaticContact CG-CE1 4Å; H755-H906 AromaticContact CG-CG 3.38Å; H755-H906 AromaticContact CG-ND1 3.85Å; H755-H906 AromaticContact CG-NE2 3.7Å; H755-H906 WeakPolarHBondContact ND1-CB 3.35Å; H755-H906 AromaticContact ND1-CD2 3.76Å; H755-H906 AromaticContact ND1-CG 3.52Å; H755-H906 AromaticContact NE2-CD2 3.82Å; L902-H906 WeakPolarHBondContact O-CB 3.4Å; L902-H906 PolarHBondContact O-N 3.12Å; D903-H906 PolarHBondContact O-N 3.3Å; E904-H906 PolarHBondContact O-N 3.15Å; H906-Q908 VanDerWaalsContact C-N 3.29Å; H906-Q908 PolarHBondContact O-N 3.23Å; H906-N909 PolarHBondContact O-N 2.76Å; H906-N909 VanDerWaalsContact O-N 3.16Å; H906-L910 WeakPolarHBondContact NE2-CD1 3.23Å; H906-L910 PolarHBondContact O-N 3.06Å |
| 907 | N | 95.9 | Very high | 94.8 | Very high | 99 Ų | 99 | 71.6 Ų | 71.6 | 53% | 0.529 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 175.9 | -81.1 | -68.8 | 0 | 0 | 0 | 112.4 | D903 E904 K911 | D903-N907 PolarHBondContact O-N 3.08Å; D903-N907 PolarHBondContact O-ND2 2.88Å; E904-N907 PolarHBondContact O-N 3.34Å; N907-K911 WeakPolarHBondContact O-CB 3.45Å; N907-K911 PolarHBondContact O-N 3.34Å |
| 908 | Q | 95.6 | Very high | 94.6 | Very high | 84 Ų | 84 | 75 Ų | 75 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | 173.1 | 175.6 | 58.2 | 23.8 | 0 | 0 | 112 | E904 S905 H906 K911 E912 | E904-Q908 PolarHBondContact O-N 3.3Å; S905-Q908 PolarHBondContact O-N 3.28Å; H906-Q908 VanDerWaalsContact C-N 3.29Å; H906-Q908 PolarHBondContact O-N 3.23Å; Q908-K911 WeakPolarHBondContact O-CB 3.49Å; Q908-K911 PolarHBondContact O-N 2.78Å; Q908-E912 PolarHBondContact NE2-OE1 2.97Å; Q908-E912 PolarHBondContact O-N 2.76Å |
| 909 | N | 93.6 | Very high | 94.5 | Very high | 78 Ų | 78 | 74 Ų | 74 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.7 | -69.9 | -32.5 | 0 | 0 | 0 | 112 | S905 H906 K911 E912 W913 | S905-N909 PolarHBondContact O-N 3.11Å; S905-N909 PolarHBondContact O-ND2 3.44Å; S905-N909 VanDerWaalsContact O-ND2 3.16Å; H906-N909 PolarHBondContact O-N 2.76Å; H906-N909 VanDerWaalsContact O-N 3.16Å; N909-K911 VanDerWaalsContact C-N 3.32Å; N909-K911 PolarHBondContact O-N 2.87Å; N909-E912 PolarHBondContact O-N 3.37Å; N909-W913 WeakPolarHBondContact O-CB 3.49Å; N909-W913 PolarHBondContact O-N 3.38Å |
| 910 | L | 94.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 77.2 Ų | 77.2 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -33.9 | 174.2 | -75.2 | 178 | 0 | 0 | 0 | 112.6 | E748 L751 H906 R914 | E748-L910 HydrophobicContact CG-CD2 4.37Å; L751-L910 HydrophobicContact CB-CD2 4.09Å; L751-L910 HydrophobicContact CD1-CD2 4.19Å; H906-L910 WeakPolarHBondContact NE2-CD1 3.23Å; H906-L910 PolarHBondContact O-N 3.06Å; L910-R914 WeakPolarHBondContact O-CB 3.43Å; L910-R914 VanDerWaalsContact O-CG 3.31Å; L910-R914 WeakPolarHBondContact O-CG 3.31Å; L910-R914 PolarHBondContact O-N 2.76Å; L910-R914 VanDerWaalsContact O-N 3.09Å; L910-R914 PolarHBondContact O-NE 2.68Å |
| 911 | K | 94.8 | Very high | 94.2 | Very high | 114 Ų | 114 | 76.9 Ų | 76.9 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.3 | -50.7 | 173.3 | -179.3 | -176.1 | 171.7 | -168.6 | 0 | 110.6 | N907 Q908 N909 W913 R914 D915 | N907-K911 WeakPolarHBondContact O-CB 3.45Å; N907-K911 PolarHBondContact O-N 3.34Å; Q908-K911 WeakPolarHBondContact O-CB 3.49Å; Q908-K911 PolarHBondContact O-N 2.78Å; N909-K911 VanDerWaalsContact C-N 3.32Å; N909-K911 PolarHBondContact O-N 2.87Å; K911-W913 PolarHBondContact O-N 3.28Å; K911-R914 PolarHBondContact O-N 2.94Å; K911-D915 PolarHBondContact O-N 3Å |
| 912 | E | 94.3 | Very high | 94.1 | Very high | 71 Ų | 71 | 80.5 Ų | 80.5 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 178 | -76.8 | -173.5 | -144.9 | 0 | 0 | 113.6 | Q908 N909 D915 K916 | Q908-E912 PolarHBondContact NE2-OE1 2.97Å; Q908-E912 PolarHBondContact O-N 2.76Å; N909-E912 PolarHBondContact O-N 3.37Å; E912-D915 PolarHBondContact O-N 2.75Å; E912-K916 WeakPolarHBondContact O-CB 3.31Å; E912-K916 VanDerWaalsContact O-CD 3.3Å; E912-K916 WeakPolarHBondContact O-CD 3.41Å; E912-K916 WeakPolarHBondContact O-CG 3.19Å; E912-K916 PolarHBondContact O-N 2.87Å; E912-K916 IonicContact OE2-NZ 3.57Å; E912-K916 PolarHBondContact OE2-NZ 2.93Å |
| 913 | W | 94.8 | Very high | 93.9 | Very high | 28 Ų | 28 | 81.4 Ų | 81.4 | 11% | 0.106 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 174.2 | 175.2 | 82 | 0 | 0 | 0 | 110.9 | W744 E747 E748 L751 N909 K911 D915 K916 L917 | W744-W913 HydrophobicContact CB-CZ2 4.21Å; W744-W913 WeakPolarHBondContact O-CH2 3.49Å; W744-W913 VanDerWaalsContact O-CZ2 3.26Å; W744-W913 WeakPolarHBondContact O-CZ2 3.27Å; E747-W913 HydrophobicContact CB-CZ2 3.91Å; E747-W913 PolarHBondContact OE2-NE1 2.95Å; E748-W913 HydrophobicContact CB-CE3 4.48Å; E748-W913 HydrophobicContact CB-CH2 3.64Å; E748-W913 HydrophobicContact CB-CZ2 4.3Å; E748-W913 HydrophobicContact CB-CZ3 3.73Å; E748-W913 HydrophobicContact CG-CE3 4.44Å; E748-W913 HydrophobicContact CG-CH2 4.24Å; E748-W913 HydrophobicContact CG-CZ3 3.81Å; L751-W913 HydrophobicContact CD1-CB 3.95Å; L751-W913 HydrophobicContact CD1-CD2 4.01Å; L751-W913 HydrophobicContact CD1-CG 3.66Å; N909-W913 WeakPolarHBondContact O-CB 3.49Å; N909-W913 PolarHBondContact O-N 3.38Å; K911-W913 PolarHBondContact O-N 3.28Å; W913-D915 VanDerWaalsContact C-N 3.31Å; W913-D915 PolarHBondContact O-N 3.15Å; W913-K916 CarbonylContact O-C 3.58Å; W913-K916 PolarHBondContact O-N 3.26Å; W913-L917 HydrophobicContact CH2-CD2 3.72Å; W913-L917 HydrophobicContact CZ2-CD1 4.28Å; W913-L917 HydrophobicContact CZ2-CD2 4.11Å; W913-L917 HydrophobicContact CZ3-CD2 4.12Å; W913-L917 WeakPolarHBondContact O-CB 3.46Å; W913-L917 PolarHBondContact O-N 3.38Å |
| 914 | R | 93.4 | Very high | 93.7 | Very high | 103 Ų | 103 | 80.7 Ų | 80.7 | 39% | 0.389 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 174.9 | -74 | 176.5 | -68.9 | -153.4 | 5.9 | 113.5 | E748 L910 K911 | E748-R914 IonicContact OE1-NH1 2.79Å; L910-R914 WeakPolarHBondContact O-CB 3.43Å; L910-R914 VanDerWaalsContact O-CG 3.31Å; L910-R914 WeakPolarHBondContact O-CG 3.31Å; L910-R914 PolarHBondContact O-N 2.76Å; L910-R914 VanDerWaalsContact O-N 3.09Å; L910-R914 PolarHBondContact O-NE 2.68Å; K911-R914 PolarHBondContact O-N 2.94Å |
| 915 | D | 93.1 | Very high | 93.5 | Very high | 78 Ų | 78 | 78.1 Ų | 78.1 | 42% | 0.417 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -74.2 | -36.2 | 174.2 | -71.7 | -27.1 | 0 | 0 | 0 | 111.8 | K911 E912 W913 P919 | K911-D915 PolarHBondContact O-N 3Å; E912-D915 PolarHBondContact O-N 2.75Å; W913-D915 VanDerWaalsContact C-N 3.31Å; W913-D915 PolarHBondContact O-N 3.15Å; D915-P919 WeakPolarHBondContact O-CD 3.38Å |
| 916 | K | 92.4 | Very high | 93.4 | Very high | 122 Ų | 122 | 80.3 Ų | 80.3 | 53% | 0.53 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71 | -27.3 | 172.2 | -68.7 | 159.2 | -166 | 164.1 | 0 | 112.7 | E912 W913 P919 | E912-K916 WeakPolarHBondContact O-CB 3.31Å; E912-K916 VanDerWaalsContact O-CD 3.3Å; E912-K916 WeakPolarHBondContact O-CD 3.41Å; E912-K916 WeakPolarHBondContact O-CG 3.19Å; E912-K916 PolarHBondContact O-N 2.87Å; E912-K916 IonicContact OE2-NZ 3.57Å; E912-K916 PolarHBondContact OE2-NZ 2.93Å; W913-K916 CarbonylContact O-C 3.58Å; W913-K916 PolarHBondContact O-N 3.26Å; K916-P919 WeakPolarHBondContact O-CD 3.38Å |
| 917 | L | 92.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 82.4 Ų | 82.4 | 18% | 0.178 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 177.7 | -176 | 65.2 | 0 | 0 | 0 | 112.8 | W744 W913 R920 K921 | W744-L917 HydrophobicContact CB-CD1 3.89Å; W744-L917 HydrophobicContact CD2-CD1 3.48Å; W744-L917 VanDerWaalsContact CD2-CD1 3.48Å; W744-L917 HydrophobicContact CE3-CD1 3.84Å; W744-L917 HydrophobicContact CG-CD1 3.5Å; W913-L917 HydrophobicContact CH2-CD2 3.72Å; W913-L917 HydrophobicContact CZ2-CD1 4.28Å; W913-L917 HydrophobicContact CZ2-CD2 4.11Å; W913-L917 HydrophobicContact CZ3-CD2 4.12Å; W913-L917 WeakPolarHBondContact O-CB 3.46Å; W913-L917 PolarHBondContact O-N 3.38Å; L917-R920 PolarHBondContact O-N 2.95Å; L917-K921 PolarHBondContact O-N 2.9Å |
| 918 | R | 89.6 | Confident | 92.9 | Very high | 180 Ų | 180 | 77.8 Ų | 77.8 | 68% | 0.679 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.6 | -48 | -178.5 | -65.5 | 173.6 | -166.5 | -144.3 | 5.6 | 112.6 | K922 | R918-K922 WeakPolarHBondContact O-CB 3.37Å; R918-K922 PolarHBondContact O-N 3.5Å |
| 919 | P | 93.3 | Very high | 92.6 | Very high | 82 Ų | 82 | 77.1 Ų | 77.1 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 169.8 | -27.8 | 35.3 | 0 | 0 | 0 | 114.2 | D915 K916 K921 K922 A923 | D915-P919 WeakPolarHBondContact O-CD 3.38Å; K916-P919 WeakPolarHBondContact O-CD 3.38Å; P919-K921 PolarHBondContact O-N 2.9Å; P919-K922 PolarHBondContact O-N 3.38Å; P919-A923 WeakPolarHBondContact O-CB 3.5Å; P919-A923 PolarHBondContact O-N 2.95Å |
| 920 | R | 93.8 | Very high | 92.5 | Very high | 96 Ų | 96 | 77 Ų | 77 | 36% | 0.362 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.4 | -50.3 | 178.4 | -73.1 | 172.4 | 68.2 | -174.6 | 2.8 | 111.3 | E747 L917 K922 A923 L924 | E747-R920 VanDerWaalsContact CD-NH1 3.28Å; E747-R920 IonicContact OE1-CZ 3.84Å; E747-R920 IonicContact OE1-NH1 3.45Å; E747-R920 PolarHBondContact OE1-NH1 3.44Å; E747-R920 IonicContact OE1-NH2 3.34Å; E747-R920 PolarHBondContact OE1-NH2 2.96Å; E747-R920 IonicContact OE2-CZ 3.33Å; E747-R920 IonicContact OE2-NH1 2.61Å; E747-R920 PolarHBondContact OE2-NH1 2.95Å; E747-R920 IonicContact OE2-NH2 2.64Å; L917-R920 PolarHBondContact O-N 2.95Å; R920-K922 VanDerWaalsContact C-N 3.34Å; R920-K922 PolarHBondContact O-N 2.91Å; R920-A923 PolarHBondContact O-N 3.24Å; R920-L924 PolarHBondContact O-N 3.44Å |
| 921 | K | 92.4 | Very high | 92 | Very high | 118 Ų | 118 | 79.3 Ų | 79.3 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 178.3 | -172.6 | 166.9 | -171.9 | 162.9 | 0 | 112.7 | W744 L917 P919 E925 | W744-K921 HydrophobicContact CH2-CB 3.68Å; W744-K921 HydrophobicContact CH2-CD 4.34Å; W744-K921 HydrophobicContact CH2-CG 3.82Å; W744-K921 HydrophobicContact CZ3-CB 3.9Å; W744-K921 HydrophobicContact CZ3-CD 3.81Å; W744-K921 HydrophobicContact CZ3-CG 3.83Å; L917-K921 PolarHBondContact O-N 2.9Å; P919-K921 PolarHBondContact O-N 2.9Å; K921-E925 PolarHBondContact O-N 3.2Å |
| 922 | K | 92.8 | Very high | 91.6 | Very high | 122 Ų | 122 | 77.4 Ų | 77.4 | 53% | 0.53 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 175.9 | -176.5 | 175.4 | 174.6 | -71.5 | 0 | 112.1 | R918 P919 R920 L924 E925 E926 | R918-K922 WeakPolarHBondContact O-CB 3.37Å; R918-K922 PolarHBondContact O-N 3.5Å; P919-K922 PolarHBondContact O-N 3.38Å; R920-K922 VanDerWaalsContact C-N 3.34Å; R920-K922 PolarHBondContact O-N 2.91Å; K922-L924 VanDerWaalsContact C-N 3.34Å; K922-L924 PolarHBondContact O-N 3.49Å; K922-E925 PolarHBondContact O-N 2.88Å; K922-E926 WeakPolarHBondContact CE-OE1 3.37Å; K922-E926 IonicContact NZ-OE1 2.63Å; K922-E926 PolarHBondContact NZ-OE1 3.02Å; K922-E926 IonicContact NZ-OE2 2.69Å; K922-E926 PolarHBondContact NZ-OE2 3.1Å; K922-E926 WeakPolarHBondContact O-CG 3.08Å; K922-E926 PolarHBondContact O-N 2.95Å |
| 923 | A | 92.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 80 Ų | 80 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P919 R920 E926 D927 | P919-A923 WeakPolarHBondContact O-CB 3.5Å; P919-A923 PolarHBondContact O-N 2.95Å; R920-A923 PolarHBondContact O-N 3.24Å; A923-E926 PolarHBondContact O-N 3.38Å; A923-D927 WeakPolarHBondContact O-CB 3.47Å; A923-D927 PolarHBondContact O-N 2.97Å |
| 924 | L | 91.5 | Very high | 90.8 | Very high | 32 Ų | 32 | 83.7 Ų | 83.7 | 17% | 0.168 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.5 | -51.6 | 173.2 | -178.9 | 67 | 0 | 0 | 0 | 111.4 | E740 W744 R920 K922 E926 D927 L928 | E740-L924 HydrophobicContact CB-CD2 3.8Å; E740-L924 HydrophobicContact CG-CD1 4.25Å; E740-L924 HydrophobicContact CG-CD2 3.88Å; W744-L924 HydrophobicContact CH2-CD2 3.85Å; W744-L924 HydrophobicContact CZ2-CD2 4.11Å; R920-L924 PolarHBondContact O-N 3.44Å; K922-L924 VanDerWaalsContact C-N 3.34Å; K922-L924 PolarHBondContact O-N 3.49Å; L924-E926 VanDerWaalsContact C-N 3.31Å; L924-E926 PolarHBondContact O-N 3.21Å; L924-D927 PolarHBondContact O-N 2.98Å; L924-L928 HydrophobicContact CD1-CD1 4.41Å; L924-L928 HydrophobicContact CD1-CG 4.46Å; L924-L928 HydrophobicContact CG-CD1 4.15Å; L924-L928 VanDerWaalsContact O-CG 3.3Å; L924-L928 WeakPolarHBondContact O-CG 3.45Å; L924-L928 PolarHBondContact O-N 3.04Å |
| 925 | E | 92.5 | Very high | 90.2 | Very high | 55 Ų | 55 | 80.9 Ų | 80.9 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.6 | -34.1 | 178.1 | -70.7 | -66.1 | 170.9 | 0 | 0 | 112.6 | R737 K921 K922 N929 | R737-E925 IonicContact CZ-OE1 3.8Å; R737-E925 IonicContact CZ-OE2 2.67Å; R737-E925 IonicContact NE-OE1 2.71Å; R737-E925 PolarHBondContact NE-OE1 2.69Å; R737-E925 IonicContact NE-OE2 2.67Å; R737-E925 PolarHBondContact NE-OE2 3.12Å; R737-E925 IonicContact NH2-OE1 2.69Å; R737-E925 IonicContact NH2-OE2 3.71Å; R737-E925 PolarHBondContact NH2-OE2 3.42Å; K921-E925 PolarHBondContact O-N 3.2Å; K922-E925 PolarHBondContact O-N 2.88Å; E925-N929 VanDerWaalsContact O-CB 3.28Å; E925-N929 WeakPolarHBondContact O-CB 3.42Å; E925-N929 PolarHBondContact O-N 3.22Å; E925-N929 PolarHBondContact O-ND2 2.97Å |
| 926 | E | 92.9 | Very high | 89.7 | Confident | 105 Ų | 105 | 80.2 Ų | 80.2 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 175.7 | -75.3 | 177.6 | 145.7 | 0 | 0 | 112.1 | K922 A923 L924 Q930 | K922-E926 WeakPolarHBondContact CE-OE1 3.37Å; K922-E926 IonicContact NZ-OE1 2.63Å; K922-E926 PolarHBondContact NZ-OE1 3.02Å; K922-E926 IonicContact NZ-OE2 2.69Å; K922-E926 PolarHBondContact NZ-OE2 3.1Å; K922-E926 WeakPolarHBondContact O-CG 3.08Å; K922-E926 PolarHBondContact O-N 2.95Å; A923-E926 PolarHBondContact O-N 3.38Å; L924-E926 VanDerWaalsContact C-N 3.31Å; L924-E926 PolarHBondContact O-N 3.21Å; E926-Q930 WeakPolarHBondContact O-CB 3.39Å; E926-Q930 PolarHBondContact O-N 3.28Å |
| 927 | D | 90.8 | Very high | 89.2 | Confident | 61 Ų | 61 | 79.2 Ų | 79.2 | 33% | 0.326 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 173.2 | 171.1 | 71.7 | 0 | 0 | 0 | 112.8 | A923 L924 N929 Q930 K931 | A923-D927 WeakPolarHBondContact O-CB 3.47Å; A923-D927 PolarHBondContact O-N 2.97Å; L924-D927 PolarHBondContact O-N 2.98Å; D927-N929 VanDerWaalsContact C-N 3.3Å; D927-N929 PolarHBondContact O-N 3.47Å; D927-Q930 WeakPolarHBondContact O-CB 3.36Å; D927-Q930 PolarHBondContact O-N 3.47Å; D927-Q930 VanDerWaalsContact O-N 3.1Å; D927-K931 PolarHBondContact O-N 3.1Å; D927-K931 VanDerWaalsContact OD1-CE 3.31Å; D927-K931 WeakPolarHBondContact OD1-CE 3.33Å; D927-K931 IonicContact OD1-NZ 3.82Å; D927-K931 PolarHBondContact OD1-NZ 2.87Å; D927-K931 IonicContact OD2-NZ 3.51Å; D927-K931 PolarHBondContact OD2-NZ 3.23Å |
| 928 | L | 90.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 83.6 Ų | 83.6 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.2 | -63.8 | 176.2 | 0 | 0 | 0 | 111.2 | Q733 L736 R737 L924 K932 | Q733-L928 HydrophobicContact CB-CD2 4.21Å; Q733-L928 HydrophobicContact CG-CD2 3.97Å; Q733-L928 PolarHBondContact NE2-O 2.89Å; L736-L928 HydrophobicContact CB-CD2 4.36Å; L736-L928 HydrophobicContact CD1-CD2 4.04Å; R737-L928 HydrophobicContact CG-CD1 3.93Å; L924-L928 HydrophobicContact CD1-CD1 4.41Å; L924-L928 HydrophobicContact CD1-CG 4.46Å; L924-L928 HydrophobicContact CG-CD1 4.15Å; L924-L928 VanDerWaalsContact O-CG 3.3Å; L924-L928 WeakPolarHBondContact O-CG 3.45Å; L924-L928 PolarHBondContact O-N 3.04Å; L928-K932 WeakPolarHBondContact O-CB 3.47Å; L928-K932 PolarHBondContact O-N 3.41Å |
| 929 | N | 89.8 | Confident | 88 | Confident | 70 Ų | 70 | 75.7 Ų | 75.7 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73.8 | -25.1 | 175.1 | -77.2 | -71.1 | 0 | 0 | 0 | 113.5 | E925 D927 R933 | E925-N929 VanDerWaalsContact O-CB 3.28Å; E925-N929 WeakPolarHBondContact O-CB 3.42Å; E925-N929 PolarHBondContact O-N 3.22Å; E925-N929 PolarHBondContact O-ND2 2.97Å; D927-N929 VanDerWaalsContact C-N 3.3Å; D927-N929 PolarHBondContact O-N 3.47Å; N929-R933 WeakPolarHBondContact O-CG 3.39Å; N929-R933 PolarHBondContact O-N 2.97Å; N929-R933 PolarHBondContact O-NE 3.43Å |
| 930 | Q | 90.6 | Very high | 87.1 | Confident | 74 Ų | 74 | 76.8 Ų | 76.8 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.9 | -53.4 | 170.5 | 179 | 66 | 25.5 | 0 | 0 | 110.6 | E926 D927 K932 R933 E934 | E926-Q930 WeakPolarHBondContact O-CB 3.39Å; E926-Q930 PolarHBondContact O-N 3.28Å; D927-Q930 WeakPolarHBondContact O-CB 3.36Å; D927-Q930 PolarHBondContact O-N 3.47Å; D927-Q930 VanDerWaalsContact O-N 3.1Å; Q930-K932 VanDerWaalsContact C-N 3.27Å; Q930-K932 PolarHBondContact O-N 3.25Å; Q930-R933 VanDerWaalsContact CA-NH2 3.31Å; Q930-R933 PolarHBondContact O-N 3.45Å; Q930-E934 WeakPolarHBondContact CG-OE1 3.47Å; Q930-E934 PolarHBondContact NE2-OE1 2.98Å; Q930-E934 WeakPolarHBondContact O-CG 3.45Å; Q930-E934 PolarHBondContact O-N 3.24Å |
| 931 | K | 84.9 | Confident | 85.8 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 27% | 0.27 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.5 | -39.2 | 177.2 | -76.7 | 158.9 | 170.2 | 148.6 | 0 | 112.5 | D927 E934 Q935 | D927-K931 PolarHBondContact O-N 3.1Å; D927-K931 VanDerWaalsContact OD1-CE 3.31Å; D927-K931 WeakPolarHBondContact OD1-CE 3.33Å; D927-K931 IonicContact OD1-NZ 3.82Å; D927-K931 PolarHBondContact OD1-NZ 2.87Å; D927-K931 IonicContact OD2-NZ 3.51Å; D927-K931 PolarHBondContact OD2-NZ 3.23Å; K931-E934 PolarHBondContact O-N 2.93Å; K931-Q935 PolarHBondContact O-N 3.17Å |
| 932 | K | 85.9 | Confident | 84.3 | Confident | 74 Ų | 74 | 73.3 Ų | 73.3 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 173 | -179.5 | 176.4 | 173 | -179.9 | 0 | 112.3 | L729 L928 Q930 E934 Q935 E936 | L729-K932 HydrophobicContact CD2-CB 4.16Å; L729-K932 HydrophobicContact CD2-CG 4.24Å; L928-K932 WeakPolarHBondContact O-CB 3.47Å; L928-K932 PolarHBondContact O-N 3.41Å; Q930-K932 VanDerWaalsContact C-N 3.27Å; Q930-K932 PolarHBondContact O-N 3.25Å; K932-E934 VanDerWaalsContact C-N 3.32Å; K932-E934 PolarHBondContact O-N 3.32Å; K932-Q935 PolarHBondContact O-N 3.14Å; K932-E936 WeakPolarHBondContact CE-OE1 3.5Å; K932-E936 WeakPolarHBondContact O-CB 3.46Å; K932-E936 WeakPolarHBondContact O-CG 3.38Å; K932-E936 PolarHBondContact O-N 3.34Å |
| 933 | R | 86.1 | Confident | 82.7 | Confident | 127 Ų | 127 | 73.2 Ų | 73.2 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 177.4 | -77.3 | 178.8 | -72.6 | 114.3 | -2 | 112.1 | N929 Q930 E936 M937 | N929-R933 WeakPolarHBondContact O-CG 3.39Å; N929-R933 PolarHBondContact O-N 2.97Å; N929-R933 PolarHBondContact O-NE 3.43Å; Q930-R933 VanDerWaalsContact CA-NH2 3.31Å; Q930-R933 PolarHBondContact O-N 3.45Å; R933-E936 PolarHBondContact O-N 2.88Å; R933-M937 WeakPolarHBondContact O-CB 3.48Å; R933-M937 VanDerWaalsContact O-CG 3.29Å; R933-M937 WeakPolarHBondContact O-CG 3.41Å; R933-M937 PolarHBondContact O-N 3.09Å |
| 934 | E | 85.5 | Confident | 80.9 | Confident | 105 Ų | 105 | 77.5 Ų | 77.5 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 175.9 | -72.6 | 169.8 | 177.9 | 0 | 0 | 112.1 | Q930 K931 K932 M937 F938 | Q930-E934 WeakPolarHBondContact CG-OE1 3.47Å; Q930-E934 PolarHBondContact NE2-OE1 2.98Å; Q930-E934 WeakPolarHBondContact O-CG 3.45Å; Q930-E934 PolarHBondContact O-N 3.24Å; K931-E934 PolarHBondContact O-N 2.93Å; K932-E934 VanDerWaalsContact C-N 3.32Å; K932-E934 PolarHBondContact O-N 3.32Å; E934-M937 PolarHBondContact O-N 3.02Å; E934-F938 PolarHBondContact O-N 3.07Å |
| 935 | Q | 80.4 | Confident | 79.1 | Confident | 43 Ų | 43 | 79.1 Ų | 79.1 | 20% | 0.201 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.8 | -36.5 | 176.8 | -155.9 | -177.5 | -2.7 | 0 | 0 | 112.1 | K931 K932 M937 F938 F939 | K931-Q935 PolarHBondContact O-N 3.17Å; K932-Q935 PolarHBondContact O-N 3.14Å; Q935-M937 VanDerWaalsContact C-N 3.32Å; Q935-M937 PolarHBondContact O-N 3.18Å; Q935-F938 WeakPolarHBondContact O-CB 3.24Å; Q935-F938 PolarHBondContact O-N 3.38Å; Q935-F939 HydrophobicContact CB-CE2 4.5Å; Q935-F939 HydrophobicContact CG-CD2 4.29Å; Q935-F939 HydrophobicContact CG-CE2 3.64Å; Q935-F939 HydrophobicContact CG-CZ 3.9Å; Q935-F939 WeakPolarHBondContact O-CD2 3.41Å; Q935-F939 WeakPolarHBondContact O-CG 3.5Å; Q935-F939 PolarHBondContact O-N 3.47Å |
| 936 | E | 82.8 | Confident | 76.9 | Confident | 65 Ų | 65 | 82.9 Ų | 82.9 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 171.6 | -75.3 | 176.3 | -172.5 | 0 | 0 | 112.6 | K932 R933 K940 | K932-E936 WeakPolarHBondContact CE-OE1 3.5Å; K932-E936 WeakPolarHBondContact O-CB 3.46Å; K932-E936 WeakPolarHBondContact O-CG 3.38Å; K932-E936 PolarHBondContact O-N 3.34Å; R933-E936 PolarHBondContact O-N 2.88Å; E936-K940 WeakPolarHBondContact O-CG 3.37Å; E936-K940 PolarHBondContact O-N 2.98Å; E936-K940 VanDerWaalsContact O-N 3.09Å |
| 937 | M | 82.5 | Confident | 74.2 | Confident | 100 Ų | 100 | 83.8 Ų | 83.8 | 49% | 0.493 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.5 | -38.7 | 172.8 | -72.4 | -60.2 | -61.7 | 0 | 0 | 112.4 | R933 E934 Q935 F939 K940 L941 | R933-M937 WeakPolarHBondContact O-CB 3.48Å; R933-M937 VanDerWaalsContact O-CG 3.29Å; R933-M937 WeakPolarHBondContact O-CG 3.41Å; R933-M937 PolarHBondContact O-N 3.09Å; E934-M937 PolarHBondContact O-N 3.02Å; Q935-M937 VanDerWaalsContact C-N 3.32Å; Q935-M937 PolarHBondContact O-N 3.18Å; M937-F939 VanDerWaalsContact C-N 3.31Å; M937-F939 PolarHBondContact O-N 2.98Å; M937-K940 PolarHBondContact O-N 3.05Å; M937-K940 HydrophobicContact SD-CD 4.19Å; M937-L941 HydrophobicContact CE-CD1 4.25Å; M937-L941 WeakPolarHBondContact O-CD1 3.38Å; M937-L941 PolarHBondContact O-N 3.02Å |
| 938 | F | 80.4 | Confident | 72.1 | Confident | 127 Ų | 127 | 86.5 Ų | 86.5 | 56% | 0.557 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.7 | -41.1 | 173.2 | 176.7 | -98.3 | 0 | 0 | 0 | 112 | E934 Q935 S942 | E934-F938 PolarHBondContact O-N 3.07Å; Q935-F938 WeakPolarHBondContact O-CB 3.24Å; Q935-F938 PolarHBondContact O-N 3.38Å; F938-S942 WeakPolarHBondContact O-CB 3.48Å; F938-S942 PolarHBondContact O-N 3.21Å; F938-S942 VanDerWaalsContact O-N 3.09Å; F938-S942 PolarHBondContact O-OG 3.03Å |
| 939 | F | 76.2 | Confident | 69.3 | Low | 14 Ų | 14 | 93.5 Ų | 93.5 | 6% | 0.061 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 174 | -66.2 | -47.3 | 0 | 0 | 0 | 112.6 | C722 E725 Q935 M937 S942 E943 | C722-F939 HydrophobicContact CB-CD1 3.91Å; C722-F939 HydrophobicContact CB-CE1 4Å; C722-F939 HydrophobicContact CB-CG 4.27Å; C722-F939 HydrophobicContact CB-CZ 4.43Å; C722-F939 WeakPolarHBondContact SG-CD1 3.16Å; E725-F939 HydrophobicContact CB-CE1 4.45Å; E725-F939 HydrophobicContact CB-CZ 3.76Å; E725-F939 VanDerWaalsContact OE2-CE1 3.25Å; E725-F939 WeakPolarHBondContact OE2-CE1 3.43Å; E725-F939 VanDerWaalsContact OE2-CZ 3.31Å; E725-F939 WeakPolarHBondContact OE2-CZ 3.46Å; Q935-F939 HydrophobicContact CB-CE2 4.5Å; Q935-F939 HydrophobicContact CG-CD2 4.29Å; Q935-F939 HydrophobicContact CG-CE2 3.64Å; Q935-F939 HydrophobicContact CG-CZ 3.9Å; Q935-F939 WeakPolarHBondContact O-CD2 3.41Å; Q935-F939 WeakPolarHBondContact O-CG 3.5Å; Q935-F939 PolarHBondContact O-N 3.47Å; M937-F939 VanDerWaalsContact C-N 3.31Å; M937-F939 PolarHBondContact O-N 2.98Å; F939-S942 CarbonylContact O-C 3.55Å; F939-S942 WeakPolarHBondContact O-CA 3.48Å; F939-S942 WeakPolarHBondContact O-CB 3.43Å; F939-S942 PolarHBondContact O-N 2.9Å; F939-E943 PolarHBondContact O-N 2.92Å |
| 940 | K | 74.8 | Confident | 67.3 | Low | 104 Ų | 104 | 96.2 Ų | 96.2 | 45% | 0.452 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.7 | -74.6 | 172.9 | 179.9 | 176.6 | 0 | 112.7 | E936 M937 S942 E943 E944 | E936-K940 WeakPolarHBondContact O-CG 3.37Å; E936-K940 PolarHBondContact O-N 2.98Å; E936-K940 VanDerWaalsContact O-N 3.09Å; M937-K940 PolarHBondContact O-N 3.05Å; M937-K940 HydrophobicContact SD-CD 4.19Å; K940-S942 PolarHBondContact O-N 3.07Å; K940-E943 PolarHBondContact O-N 3.15Å; K940-E944 WeakPolarHBondContact O-CG 3.3Å; K940-E944 PolarHBondContact O-N 3.45Å |
| 941 | L | 67.1 | Low | 64.5 | Low | 104 Ų | 104 | 98.8 Ų | 98.8 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -30.1 | 172.5 | -93.5 | 70.5 | 0 | 0 | 0 | 111.9 | M937 A945 | M937-L941 HydrophobicContact CE-CD1 4.25Å; M937-L941 WeakPolarHBondContact O-CD1 3.38Å; M937-L941 PolarHBondContact O-N 3.02Å; L941-A945 WeakPolarHBondContact O-CB 3.42Å; L941-A945 PolarHBondContact O-N 3.39Å; L941-A945 VanDerWaalsContact O-N 3.16Å |
| 942 | S | 60.5 | Low | 62.2 | Low | 37 Ų | 37 | 102.2 Ų | 102.2 | 26% | 0.259 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -80.4 | -13 | 175.8 | -57.8 | 0 | 0 | 0 | 0 | 114.2 | R718 F938 F939 K940 | R718-S942 PolarHBondContact NH1-O 2.84Å; F938-S942 WeakPolarHBondContact O-CB 3.48Å; F938-S942 PolarHBondContact O-N 3.21Å; F938-S942 VanDerWaalsContact O-N 3.09Å; F938-S942 PolarHBondContact O-OG 3.03Å; F939-S942 CarbonylContact O-C 3.55Å; F939-S942 WeakPolarHBondContact O-CA 3.48Å; F939-S942 WeakPolarHBondContact O-CB 3.43Å; F939-S942 PolarHBondContact O-N 2.9Å; K940-S942 PolarHBondContact O-N 3.07Å |
| 943 | E | 58.2 | Low | 59.9 | Low | 120 Ų | 120 | 104.2 Ų | 104.2 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -90.6 | -38.7 | 168.2 | -70.7 | -173.4 | 128.2 | 0 | 0 | 111.2 | F939 K940 | F939-E943 PolarHBondContact O-N 2.92Å; K940-E943 PolarHBondContact O-N 3.15Å |
| 944 | E | 55.4 | Low | 57.7 | Low | 147 Ų | 147 | 103.7 Ų | 103.7 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75.4 | -19.9 | -179.3 | -68.9 | 172.3 | -175.6 | 0 | 0 | 114 | K940 E946 | K940-E944 WeakPolarHBondContact O-CG 3.3Å; K940-E944 PolarHBondContact O-N 3.45Å; E944-E946 VanDerWaalsContact C-N 3.31Å; E944-E946 PolarHBondContact O-N 3.5Å |
| 945 | A | 52.9 | Low | 55.2 | Low | 65 Ų | 65 | 108.2 Ų | 108.2 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | trans | -74.6 | 71.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | L941 C947 | L941-A945 WeakPolarHBondContact O-CB 3.42Å; L941-A945 PolarHBondContact O-N 3.39Å; L941-A945 VanDerWaalsContact O-N 3.16Å; A945-C947 PolarHBondContact O-N 3.41Å | ||
| 946 | E | 46 | Very low | 52.8 | Low | 135 Ų | 135 | 110 Ų | 110 | 63% | 0.631 | 62% | 0.62 | S | S | * | * | trans | -75.8 | 111.1 | 165.8 | -64.8 | -150.2 | 172.7 | 0 | 0 | 111.5 | K711 E944 | K711-E946 WeakPolarHBondContact CE-OE1 3.45Å; K711-E946 IonicContact NZ-OE1 3.15Å; K711-E946 PolarHBondContact NZ-OE1 3.37Å; K711-E946 IonicContact NZ-OE2 2.84Å; K711-E946 PolarHBondContact NZ-OE2 3.46Å; E944-E946 VanDerWaalsContact C-N 3.31Å; E944-E946 PolarHBondContact O-N 3.5Å | ||
| 947 | C | 36.5 | Very low | 50.4 | Low | 123 Ų | 123 | 111.1 Ų | 111.1 | 83% | 0.831 | 64% | 0.64 | S | S | * | * | trans | -147.2 | 123.1 | 167.9 | -92.9 | 0 | 0 | 0 | 0 | 110.9 | A945 | A945-C947 PolarHBondContact O-N 3.41Š| ||
| 948 | P | 47 | Very low | 48 | Very low | 119 Ų | 119 | 116 Ų | 116 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | trans | -89 | 112.7 | 178.4 | 32.7 | -31.2 | 0 | 0 | 0 | 111.9 | ||||
| 949 | N | 30.8 | Very low | 46 | Very low | 149 Ų | 149 | 115.8 Ų | 115.8 | 80% | 0.797 | 66% | 0.658 | S | S | * | * | 177.9 | 140.8 | 129.6 | -94.5 | -40.7 | 0 | 0 | 0 | 112.2 | T951 | N949-T951 PolarHBondContact O-N 2.96Š| |||
| 950 | P | 49.8 | Very low | 43.8 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | trans | -91.7 | 94.6 | 177 | 35.2 | -32 | 0 | 0 | 0 | 112.2 | ||||
| 951 | T | 31.3 | Very low | 41.7 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | trans | -132 | 119.1 | 161.4 | -37 | 0 | 0 | 0 | 0 | 109.4 | N949 | N949-T951 PolarHBondContact O-N 2.96Š| ||
| 952 | T | 36.8 | Very low | 40 | Very low | 134 Ų | 134 | 126.4 Ų | 126.4 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -63.5 | 139.4 | 170.3 | 38.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 953 | P | 37.9 | Very low | 38.5 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | -132.1 | 166 | 92.7 | 38.7 | -31.5 | 0 | 0 | 0 | 113.9 | K955 | P953-K955 PolarHBondContact O-N 2.96Š| |||
| 954 | S | 38.9 | Very low | 37.7 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -42.3 | 114.7 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 955 | K | 33 | Very low | 36.6 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | trans | -130.3 | 107.5 | 150.1 | -78.5 | -176.6 | 178.3 | 173.2 | 0 | 107.1 | P953 | P953-K955 PolarHBondContact O-N 2.96Š| ||
| 956 | A | 30.7 | Very low | 35.7 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -54.9 | 148.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K958 | A956-K958 PolarHBondContact O-N 3.03Š| ||
| 957 | A | 32.5 | Very low | 35.1 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -55.5 | 107.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | F959 | A957-F959 HydrophobicContact CB-CD2 4.46Å; A957-F959 PolarHBondContact O-N 2.88Å | ||
| 958 | K | 32.1 | Very low | 34.8 | Very low | 201 Ų | 201 | 136 Ų | 136 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -75.5 | 79.6 | 169.7 | -79.3 | -162.9 | 171.7 | -167.5 | 0 | 108.4 | A956 F960 | A956-K958 PolarHBondContact O-N 3.03Å; K958-F960 PolarHBondContact O-N 3.07Å | ||
| 959 | F | 36.9 | Very low | 34.2 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 54% | 0.544 | 79% | 0.793 | S | S | . | * | trans | -41.3 | 135.9 | 148.2 | -89.8 | -111.5 | 0 | 0 | 0 | 108.4 | A957 P961 | A957-F959 HydrophobicContact CB-CD2 4.46Å; A957-F959 PolarHBondContact O-N 2.88Å; F959-P961 VanDerWaalsContact O-CD 3.25Å; F959-P961 WeakPolarHBondContact O-CD 3.26Å | ||
| 960 | F | 31.3 | Very low | 34.4 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -60.6 | 119.4 | 160.7 | -92.4 | -101 | 0 | 0 | 0 | 107.5 | K958 Y962 | K958-F960 PolarHBondContact O-N 3.07Å; F960-Y962 PolarHBondContact O-N 3.3Å | ||
| 961 | P | 29.5 | Very low | 33.6 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 130.4 | 171.5 | -17 | 31.7 | 0 | 0 | 0 | 108.2 | F959 N963 | F959-P961 VanDerWaalsContact O-CD 3.25Å; F959-P961 WeakPolarHBondContact O-CD 3.26Å; P961-N963 VanDerWaalsContact C-N 3.31Å; P961-N963 PolarHBondContact O-N 2.79Å | ||
| 962 | Y | 31.5 | Very low | 33.7 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 57% | 0.565 | 79% | 0.792 | S | S | * | * | trans | -73.2 | 92.4 | 169.3 | -165.3 | -90.4 | 0 | 0 | 0 | 107.9 | F960 S964 | F960-Y962 PolarHBondContact O-N 3.3Å; Y962-S964 VanDerWaalsContact C-N 3.35Å; Y962-S964 PolarHBondContact O-N 3.37Å | ||
| 963 | N | 29.4 | Very low | 33.5 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -67.2 | 91.5 | -180 | -80.9 | -7.9 | 0 | 0 | 0 | 110.3 | P961 V965 | P961-N963 VanDerWaalsContact C-N 3.31Å; P961-N963 PolarHBondContact O-N 2.79Å; N963-V965 PolarHBondContact O-N 3.39Å | ||
| 964 | S | 40.6 | Very low | 33.2 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -74.5 | 79.6 | 165.9 | -168.6 | 0 | 0 | 0 | 0 | 109.7 | Y962 | Y962-S964 VanDerWaalsContact C-N 3.35Å; Y962-S964 PolarHBondContact O-N 3.37Å | ||
| 965 | V | 33.3 | Very low | 32.8 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | -141.2 | 76.1 | 169.1 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | N963 | N963-V965 PolarHBondContact O-N 3.39Š| ||
| 966 | D | 33.9 | Very low | 32.8 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | trans | -147.3 | 86.7 | 150.7 | -101.5 | -30.8 | 0 | 0 | 0 | 107.1 | ||||
| 967 | A | 33 | Very low | 33 | Very low | 91 Ų | 91 | 140.6 Ų | 140.6 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -153.4 | 67.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 968 | S | 31.4 | Very low | 33 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 100% | 1.399 | 80% | 0.801 | S | S | * | * | trans | -157 | 0 | 167.6 | -70 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 968 of 968 residues in 416.5 ms
(Link to these results)