| 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 | 46.9 | Very low | 54 | Low | 235 Ų | 235 | 144.7 Ų | 144.7 | 100% | 1.158 | 86% | 0.855 | S | S | * | * | 0 | 81.1 | 0 | -79.6 | -69.6 | 161.3 | 0 | 0 | 105.8 | |||||
| 2 | D | 40.8 | Very low | 54.1 | Low | 162 Ų | 162 | 140.5 Ų | 140.5 | 87% | 0.866 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 133.8 | 178.5 | -67.2 | -53.8 | 0 | 0 | 0 | 109.2 | ||
| 3 | P | 57.6 | Low | 54.9 | Low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 136.6 | 175.1 | 30.9 | -30.1 | 0 | 0 | 0 | 110.6 | ||
| 4 | A | 59.6 | Low | 55.5 | Low | 91 Ų | 91 | 134.6 Ų | 134.6 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 151 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G6 | A4-G6 PolarHBondContact O-N 3.37Š|
| 5 | P | 57.1 | Low | 56 | Low | 132 Ų | 132 | 133.1 Ų | 133.1 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 131.6 | 178.5 | 29.2 | -31 | 0 | 0 | 0 | 110.6 | ||
| 6 | G | 54.2 | Low | 56.5 | Low | 73 Ų | 73 | 130.7 Ų | 130.7 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 144.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | A4 | A4-G6 PolarHBondContact O-N 3.37Š|
| 7 | A | 51.2 | Low | 56.6 | Low | 105 Ų | 105 | 132.8 Ų | 132.8 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 131.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D9 | A7-D9 PolarHBondContact O-N 3.33Š|
| 8 | L | 55.8 | Low | 56.8 | Low | 172 Ų | 172 | 134.9 Ų | 134.9 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 118.3 | 170.9 | -77.2 | 163.1 | 0 | 0 | 0 | 109.4 | P10 | L8-P10 WeakPolarHBondContact O-CD 3.45Š|
| 9 | D | 58.5 | Low | 57.2 | Low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 119.4 | 176.4 | -133.6 | -28.7 | 0 | 0 | 0 | 110.3 | A7 R11 | A7-D9 PolarHBondContact O-N 3.33Å; D9-R11 PolarHBondContact O-N 3.06Å; D9-R11 VanDerWaalsContact O-N 3.13Å |
| 10 | P | 55.7 | Low | 57.3 | Low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 19.7 | -174.9 | 32.5 | -32.8 | 0 | 0 | 0 | 113.6 | L8 | L8-P10 WeakPolarHBondContact O-CD 3.45Š|
| 11 | R | 56.9 | Low | 57.6 | Low | 231 Ų | 231 | 130.9 Ų | 130.9 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | 23.8 | -175.9 | -102.7 | -152.1 | 173.9 | -167.2 | 0.4 | 115.9 | D9 A13 | D9-R11 PolarHBondContact O-N 3.06Å; D9-R11 VanDerWaalsContact O-N 3.13Å; R11-A13 VanDerWaalsContact C-N 3.34Å; R11-A13 PolarHBondContact O-N 3.21Å |
| 12 | A | 55.1 | Low | 58.6 | Low | 94 Ų | 94 | 128.4 Ų | 128.4 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -71.4 | 94.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 13 | A | 64.7 | Low | 60 | Low | 83 Ų | 83 | 125.6 Ų | 125.6 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52 | 135.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | R11 | R11-A13 VanDerWaalsContact C-N 3.34Å; R11-A13 PolarHBondContact O-N 3.21Å |
| 14 | P | 62.3 | Low | 60.5 | Low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 139.3 | 178.1 | 23.1 | -31 | 0 | 0 | 0 | 108.8 | A16 | P14-A16 PolarHBondContact O-N 3.23Å; P14-A16 VanDerWaalsContact O-N 3.1Å |
| 15 | P | 63.2 | Low | 61.4 | Low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 125.1 | 176.7 | 21.2 | -31 | 0 | 0 | 0 | 107.8 | L17 | P15-L17 PolarHBondContact O-N 3.43Š|
| 16 | A | 64.8 | Low | 62.6 | Low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -52.1 | 109.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | P14 L18 | P14-A16 PolarHBondContact O-N 3.23Å; P14-A16 VanDerWaalsContact O-N 3.1Å; A16-L18 PolarHBondContact O-N 3.34Å | ||
| 17 | L | 57.8 | Low | 63.9 | Low | 166 Ų | 166 | 126.5 Ų | 126.5 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | -56.9 | 112.6 | 175.6 | -63.9 | 176.3 | 0 | 0 | 0 | 105.8 | P15 C19 | P15-L17 PolarHBondContact O-N 3.43Å; L17-C19 PolarHBondContact O-N 2.89Å; L17-C19 VanDerWaalsContact O-N 3.09Å | ||
| 18 | L | 61.2 | Low | 65.4 | Low | 171 Ų | 171 | 125.5 Ų | 125.5 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 123 | 176 | -69.8 | 170 | 0 | 0 | 0 | 107 | A16 A20 | A16-L18 PolarHBondContact O-N 3.34Å; L18-A20 PolarHBondContact O-N 3.46Å; L18-A20 VanDerWaalsContact O-N 3.11Å |
| 19 | C | 63.6 | Low | 66.8 | Low | 119 Ų | 119 | 119.3 Ų | 119.3 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 122 | 175.1 | -169.3 | 0 | 0 | 0 | 0 | 107.4 | L17 P21 | L17-C19 PolarHBondContact O-N 2.89Å; L17-C19 VanDerWaalsContact O-N 3.09Å; C19-P21 WeakPolarHBondContact O-CD 3.25Å; C19-P21 VanDerWaalsContact O-N 3.1Å |
| 20 | A | 58.7 | Low | 68.1 | Low | 84 Ų | 84 | 115.3 Ų | 115.3 | 69% | 0.694 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 122 | 175 | 0 | 0 | 0 | 0 | 0 | 107 | L18 | L18-A20 PolarHBondContact O-N 3.46Å; L18-A20 VanDerWaalsContact O-N 3.11Å |
| 21 | P | 63.4 | Low | 69.6 | Low | 117 Ų | 117 | 115.3 Ų | 115.3 | 76% | 0.76 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 148.3 | -179.2 | 22.5 | -31.6 | 0 | 0 | 0 | 109 | C19 A23 | C19-P21 WeakPolarHBondContact O-CD 3.25Å; C19-P21 VanDerWaalsContact O-N 3.1Å; P21-A23 PolarHBondContact O-N 3.23Å |
| 22 | Q | 68.9 | Low | 71.1 | Confident | 184 Ų | 184 | 112.7 Ų | 112.7 | 86% | 0.86 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 141.1 | 176.4 | -74.1 | -160.1 | 29 | 0 | 0 | 109.1 | E24 | Q22-E24 VanDerWaalsContact C-N 3.27Å; Q22-E24 PolarHBondContact O-N 3.18Å |
| 23 | A | 69.1 | Low | 72.7 | Confident | 102 Ų | 102 | 115.1 Ų | 115.1 | 84% | 0.843 | 66% | 0.662 | S | S | * | * | trans | -63.4 | 93.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P21 V25 | P21-A23 PolarHBondContact O-N 3.23Å; A23-V25 PolarHBondContact O-N 3.3Å | ||
| 24 | E | 69.1 | Low | 73.9 | Confident | 133 Ų | 133 | 118.4 Ų | 118.4 | 62% | 0.621 | 66% | 0.661 | S | S | * | * | trans | -59.5 | 133 | 171.1 | -67.1 | -176.1 | -165.6 | 0 | 0 | 107.7 | Q22 L26 V29 | Q22-E24 VanDerWaalsContact C-N 3.27Å; Q22-E24 PolarHBondContact O-N 3.18Å; E24-L26 PolarHBondContact O-N 3.45Å; E24-L26 VanDerWaalsContact O-N 3.14Å; E24-V29 HydrophobicContact CB-CG2 3.56Å; E24-V29 WeakPolarHBondContact OE2-CG2 3.48Å | ||
| 25 | V | 79.1 | Confident | 75 | Confident | 89 Ų | 89 | 114.2 Ų | 114.2 | 54% | 0.539 | 64% | 0.639 | S | S | . | * | trans | -63.4 | 121.7 | 176 | -176.8 | 0 | 0 | 0 | 0 | 105.7 | A23 E27 D28 V29 | A23-V25 PolarHBondContact O-N 3.3Å; V25-E27 HydrophobicContact CG1-CB 4.1Å; V25-E27 CarbonylContact O-C 3.5Å; V25-E27 PolarHBondContact O-N 3.2Å; V25-D28 WeakPolarHBondContact O-CB 3.44Å; V25-D28 PolarHBondContact O-N 3.04Å; V25-V29 PolarHBondContact O-N 2.96Å | ||
| 26 | L | 82.3 | Confident | 76.1 | Confident | 122 Ų | 122 | 115.1 Ų | 115.1 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -48.7 | -29.6 | -176.1 | 177.4 | 63.2 | 0 | 0 | 0 | 112.8 | E24 L30 | E24-L26 PolarHBondContact O-N 3.45Å; E24-L26 VanDerWaalsContact O-N 3.14Å; L26-L30 HydrophobicContact CD1-CD1 3.94Å; L26-L30 HydrophobicContact CD1-CG 3.96Å; L26-L30 HydrophobicContact CD2-CD1 4.42Å; L26-L30 HydrophobicContact CG-CD1 3.75Å; L26-L30 HydrophobicContact CG-CG 4.23Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 2.86Å |
| 27 | E | 80.4 | Confident | 76.8 | Confident | 94 Ų | 94 | 113.5 Ų | 113.5 | 44% | 0.439 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -59.1 | -44.8 | 173 | -174.7 | 173.8 | -179.9 | 0 | 0 | 113.2 | V25 L30 R31 L37 | V25-E27 HydrophobicContact CG1-CB 4.1Å; V25-E27 CarbonylContact O-C 3.5Å; V25-E27 PolarHBondContact O-N 3.2Å; E27-L30 PolarHBondContact O-N 3.37Å; E27-R31 WeakPolarHBondContact O-CB 3.47Å; E27-R31 WeakPolarHBondContact O-CG 3.37Å; E27-R31 PolarHBondContact O-N 2.87Å; E27-R31 IonicContact OE1-CZ 3.19Å; E27-R31 IonicContact OE1-NE 3.12Å; E27-R31 PolarHBondContact OE1-NE 3.06Å; E27-R31 VanDerWaalsContact OE1-NE 3.12Å; E27-R31 IonicContact OE1-NH2 2.65Å; E27-R31 PolarHBondContact OE1-NH2 3.44Å; E27-L37 HydrophobicContact CG-CD1 3.92Å; E27-L37 WeakPolarHBondContact O-CD1 3.23Å |
| 28 | D | 83.3 | Confident | 77.6 | Confident | 85 Ų | 85 | 111.5 Ų | 111.5 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.3 | -44.5 | -177.3 | -61.5 | -36 | 0 | 0 | 0 | 110.8 | V25 L30 R31 E32 | V25-D28 WeakPolarHBondContact O-CB 3.44Å; V25-D28 PolarHBondContact O-N 3.04Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.01Å; D28-R31 PolarHBondContact O-N 2.96Å; D28-R31 VanDerWaalsContact O-N 3.12Å; D28-E32 PolarHBondContact O-N 3.33Å |
| 29 | V | 85.4 | Confident | 78.1 | Confident | 42 Ų | 42 | 112.2 Ų | 112.2 | 26% | 0.255 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -56.1 | -46.2 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | E24 V25 R31 E32 Q33 | E24-V29 HydrophobicContact CB-CG2 3.56Å; E24-V29 WeakPolarHBondContact OE2-CG2 3.48Å; V25-V29 PolarHBondContact O-N 2.96Å; V29-R31 VanDerWaalsContact C-N 3.35Å; V29-E32 PolarHBondContact O-N 3.48Å; V29-Q33 WeakPolarHBondContact O-CB 3.36Å; V29-Q33 WeakPolarHBondContact O-CG 3.26Å; V29-Q33 PolarHBondContact O-N 3.44Å |
| 30 | L | 84.5 | Confident | 78.1 | Confident | 57 Ų | 57 | 115 Ų | 115 | 30% | 0.298 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.7 | -32.6 | -179.2 | -70.8 | 174.7 | 0 | 0 | 0 | 111.7 | L26 E27 D28 F34 L37 | L26-L30 HydrophobicContact CD1-CD1 3.94Å; L26-L30 HydrophobicContact CD1-CG 3.96Å; L26-L30 HydrophobicContact CD2-CD1 4.42Å; L26-L30 HydrophobicContact CG-CD1 3.75Å; L26-L30 HydrophobicContact CG-CG 4.23Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 2.86Å; E27-L30 PolarHBondContact O-N 3.37Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.01Å; L30-F34 HydrophobicContact CB-CD2 4.48Å; L30-F34 HydrophobicContact CD2-CD2 3.82Å; L30-F34 HydrophobicContact CD2-CE2 3.71Å; L30-F34 WeakPolarHBondContact O-CB 3.28Å; L30-F34 WeakPolarHBondContact O-CD2 3.37Å; L30-F34 PolarHBondContact O-N 3.03Å; L30-L37 HydrophobicContact CB-CD1 3.88Å; L30-L37 HydrophobicContact CB-CD2 3.7Å; L30-L37 HydrophobicContact CB-CG 4.29Å |
| 31 | R | 87.3 | Confident | 78.3 | Confident | 126 Ų | 126 | 115.1 Ų | 115.1 | 48% | 0.475 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.4 | -41.6 | 174.3 | -78 | 169.7 | 178.9 | -128.1 | 1.2 | 112.5 | E27 D28 V29 G35 L37 | E27-R31 WeakPolarHBondContact O-CB 3.47Å; E27-R31 WeakPolarHBondContact O-CG 3.37Å; E27-R31 PolarHBondContact O-N 2.87Å; E27-R31 IonicContact OE1-CZ 3.19Å; E27-R31 IonicContact OE1-NE 3.12Å; E27-R31 PolarHBondContact OE1-NE 3.06Å; E27-R31 VanDerWaalsContact OE1-NE 3.12Å; E27-R31 IonicContact OE1-NH2 2.65Å; E27-R31 PolarHBondContact OE1-NH2 3.44Å; D28-R31 PolarHBondContact O-N 2.96Å; D28-R31 VanDerWaalsContact O-N 3.12Å; V29-R31 VanDerWaalsContact C-N 3.35Å; R31-G35 WeakPolarHBondContact CA-O 3.48Å; R31-G35 CarbonylContact O-C 3.51Å; R31-G35 WeakPolarHBondContact O-CA 3.31Å; R31-G35 PolarHBondContact O-N 3.4Å; R31-L37 HydrophobicContact CG-CD1 3.69Å; R31-L37 HydrophobicContact CG-CG 3.87Å |
| 32 | E | 88.4 | Confident | 78.6 | Confident | 176 Ų | 176 | 111 Ų | 111 | 82% | 0.822 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.3 | -43.6 | 177.3 | -71 | -143.7 | 150.7 | 0 | 0 | 111.7 | D28 V29 | D28-E32 PolarHBondContact O-N 3.33Å; V29-E32 PolarHBondContact O-N 3.48Å |
| 33 | Q | 90.3 | Very high | 79 | Confident | 146 Ų | 146 | 108.7 Ų | 108.7 | 68% | 0.682 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.8 | -31.6 | -176.3 | -67.4 | -133.9 | 91 | 0 | 0 | 114.1 | V29 | V29-Q33 WeakPolarHBondContact O-CB 3.36Å; V29-Q33 WeakPolarHBondContact O-CG 3.26Å; V29-Q33 PolarHBondContact O-N 3.44Å |
| 34 | F | 88.6 | Confident | 79.5 | Confident | 151 Ų | 151 | 104.9 Ų | 104.9 | 66% | 0.662 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -121.9 | 0.6 | -172 | -55.9 | -80 | 0 | 0 | 0 | 114 | L30 | L30-F34 HydrophobicContact CB-CD2 4.48Å; L30-F34 HydrophobicContact CD2-CD2 3.82Å; L30-F34 HydrophobicContact CD2-CE2 3.71Å; L30-F34 WeakPolarHBondContact O-CB 3.28Å; L30-F34 WeakPolarHBondContact O-CD2 3.37Å; L30-F34 PolarHBondContact O-N 3.03Å |
| 35 | G | 86.6 | Confident | 80.2 | Confident | 28 Ų | 28 | 108.1 Ų | 108.1 | 29% | 0.289 | 57% | 0.572 | S | S | . | * | S | Bend | trans | 76.8 | -158.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | R31 L37 | R31-G35 WeakPolarHBondContact CA-O 3.48Å; R31-G35 CarbonylContact O-C 3.51Å; R31-G35 WeakPolarHBondContact O-CA 3.31Å; R31-G35 PolarHBondContact O-N 3.4Å; G35-L37 PolarHBondContact O-N 3.09Å |
| 36 | P | 85.9 | Confident | 80.5 | Confident | 132 Ų | 132 | 108.8 Ų | 108.8 | 86% | 0.857 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -55.3 | 115.8 | -178 | -24.6 | 33.9 | 0 | 0 | 0 | 111.9 | ||
| 37 | L | 78.8 | Confident | 80.8 | Confident | 60 Ų | 60 | 109.7 Ų | 109.7 | 31% | 0.314 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 142.5 | -179.9 | -70.2 | 167.8 | 0 | 0 | 0 | 110.9 | E27 L30 R31 G35 Q39 | E27-L37 HydrophobicContact CG-CD1 3.92Å; E27-L37 WeakPolarHBondContact O-CD1 3.23Å; L30-L37 HydrophobicContact CB-CD1 3.88Å; L30-L37 HydrophobicContact CB-CD2 3.7Å; L30-L37 HydrophobicContact CB-CG 4.29Å; R31-L37 HydrophobicContact CG-CD1 3.69Å; R31-L37 HydrophobicContact CG-CG 3.87Å; G35-L37 PolarHBondContact O-N 3.09Å; L37-Q39 PolarHBondContact O-N 3.42Å |
| 38 | P | 75.6 | Confident | 81.4 | Confident | 123 Ų | 123 | 113.4 Ų | 113.4 | 80% | 0.799 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 127 | 174.8 | 23.2 | -32 | 0 | 0 | 0 | 109.5 | L40 | P38-L40 PolarHBondContact O-N 3.33Š|
| 39 | Q | 71.6 | Confident | 81.8 | Confident | 187 Ų | 187 | 112.5 Ų | 112.5 | 87% | 0.874 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 130.3 | -179.7 | -163.1 | 163.4 | 39.5 | 0 | 0 | 109.1 | L37 A41 | L37-Q39 PolarHBondContact O-N 3.42Å; Q39-A41 VanDerWaalsContact C-N 3.31Å; Q39-A41 PolarHBondContact O-N 2.98Å |
| 40 | L | 62.7 | Low | 82.1 | Confident | 176 Ų | 176 | 117.4 Ų | 117.4 | 92% | 0.921 | 61% | 0.609 | S | S | * | * | trans | -61 | 92.4 | -178.9 | -163.8 | 85 | 0 | 0 | 0 | 109.7 | P38 A42 | P38-L40 PolarHBondContact O-N 3.33Å; L40-A42 PolarHBondContact O-N 2.71Å | ||
| 41 | A | 63.3 | Low | 82.5 | Confident | 88 Ų | 88 | 119.6 Ų | 119.6 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | trans | -75 | 116.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q39 V43 | Q39-A41 VanDerWaalsContact C-N 3.31Å; Q39-A41 PolarHBondContact O-N 2.98Å; A41-V43 PolarHBondContact O-N 3.3Å | ||
| 42 | A | 69 | Low | 82.6 | Confident | 29 Ų | 29 | 116.1 Ų | 116.1 | 24% | 0.24 | 63% | 0.633 | C | S | . | * | trans | -61.2 | 137.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L40 C44 L60 L64 | L40-A42 PolarHBondContact O-N 2.71Å; A42-C44 PolarHBondContact O-N 3.12Å; A42-L60 HydrophobicContact CB-CD1 3.34Å; A42-L64 HydrophobicContact CB-CD2 3.71Å; A42-L64 HydrophobicContact CB-CG 4.29Å | ||
| 43 | V | 77.4 | Confident | 82.7 | Confident | 137 Ų | 137 | 109.3 Ų | 109.3 | 83% | 0.83 | 61% | 0.609 | S | S | * | * | trans | -69.7 | 88.4 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | A41 | A41-V43 PolarHBondContact O-N 3.3Š| ||
| 44 | C | 79.7 | Confident | 82.5 | Confident | 22 Ų | 22 | 109.5 Ų | 109.5 | 15% | 0.149 | 61% | 0.605 | C | S | . | * | P | Polyproline II helix | trans | -98.7 | 153 | 173.5 | -70.3 | 0 | 0 | 0 | 0 | 109.5 | A42 L46 L60 | A42-C44 PolarHBondContact O-N 3.12Å; C44-L46 HydrophobicContact CB-CD1 4.07Å; C44-L46 WeakPolarHBondContact O-CD1 3.41Å; C44-L46 PolarHBondContact O-N 3.44Å; C44-L60 WeakPolarHBondContact SG-CD1 3.39Å |
| 45 | R | 84.2 | Confident | 82.2 | Confident | 200 Ų | 200 | 104.8 Ų | 104.8 | 76% | 0.755 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 116 | 169.5 | -73.7 | -177.7 | 172.4 | -170.4 | -2 | 108.4 | T57 | R45-T57 VanDerWaalsContact CB-OG1 3.29Å; R45-T57 WeakPolarHBondContact CB-OG1 3.47Å; R45-T57 WeakPolarHBondContact O-CB 3.35Å; R45-T57 PolarHBondContact O-N 3.07Å; R45-T57 PolarHBondContact O-OG1 3.08Å |
| 46 | L | 85.6 | Confident | 82 | Confident | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.8 | 174.6 | -81.9 | 67.8 | 0 | 0 | 0 | 109.1 | C44 Y54 S55 | C44-L46 HydrophobicContact CB-CD1 4.07Å; C44-L46 WeakPolarHBondContact O-CD1 3.41Å; C44-L46 PolarHBondContact O-N 3.44Å; L46-Y54 HydrophobicContact CB-CD1 4.16Å; L46-S55 CarbonylContact C-O 3.6Å; L46-S55 VanDerWaalsContact CA-O 3.29Å; L46-S55 WeakPolarHBondContact CA-O 3.25Å |
| 47 | K | 88.4 | Confident | 81.7 | Confident | 140 Ų | 140 | 103 Ų | 103 | 61% | 0.609 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107 | 133.5 | 173.3 | 179.6 | 172.9 | -179.7 | 176.4 | 0 | 108.8 | L49 Y54 S55 T57 | K47-L49 WeakPolarHBondContact O-CD1 3.49Å; K47-Y54 WeakPolarHBondContact O-CA 3.27Å; K47-S55 PolarHBondContact N-O 3.1Å; K47-S55 PolarHBondContact O-N 3.47Å; K47-T57 HydrophobicContact CB-CG2 3.53Å |
| 48 | R | 92.1 | Very high | 81.6 | Confident | 173 Ų | 173 | 104.6 Ų | 104.6 | 65% | 0.653 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 129.8 | 174.3 | -166.6 | 173.4 | 66.3 | -146.7 | 1.9 | 109.7 | G53 Y54 | R48-G53 CarbonylContact C-O 3.59Å; R48-G53 WeakPolarHBondContact CA-O 3.47Å; R48-Y54 HydrophobicContact CB-CD1 4.09Å; R48-Y54 HydrophobicContact CB-CE1 3.82Å; R48-Y54 HydrophobicContact CG-CE1 4.17Å |
| 49 | L | 92.4 | Very high | 82.1 | Confident | 66 Ų | 66 | 103.4 Ų | 103.4 | 35% | 0.346 | 57% | 0.567 | S | S | . | * | trans | -88.5 | 157.4 | 176 | -85.2 | 73.5 | 0 | 0 | 0 | 110.5 | K47 S51 G52 G53 S55 | K47-L49 WeakPolarHBondContact O-CD1 3.49Å; L49-S51 WeakPolarHBondContact CB-OG 3.37Å; L49-S51 PolarHBondContact O-N 3.38Å; L49-S51 VanDerWaalsContact O-N 3.16Å; L49-G52 PolarHBondContact O-N 3.47Å; L49-G53 PolarHBondContact N-O 2.93Å; L49-S55 VanDerWaalsContact CD1-CB 3.47Å; L49-S55 VanDerWaalsContact CD1-OG 3.31Å; L49-S55 WeakPolarHBondContact CD1-OG 3.41Å | ||
| 50 | P | 92 | Very high | 82.7 | Confident | 144 Ų | 144 | 98 Ų | 98 | 94% | 0.935 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25 | 171.6 | -24.4 | 34.6 | 0 | 0 | 0 | 113.7 | G52 | P50-G52 PolarHBondContact O-N 3.21Š|
| 51 | S | 92.1 | Very high | 83.8 | Confident | 103 Ų | 103 | 95.5 Ų | 95.5 | 72% | 0.72 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -0.8 | 174.3 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | L49 G53 | L49-S51 WeakPolarHBondContact CB-OG 3.37Å; L49-S51 PolarHBondContact O-N 3.38Å; L49-S51 VanDerWaalsContact O-N 3.16Å; S51-G53 PolarHBondContact O-N 2.99Å |
| 52 | G | 90.1 | Very high | 84.9 | Confident | 54 Ų | 54 | 96 Ų | 96 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 83.6 | -10.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L49 P50 | L49-G52 PolarHBondContact O-N 3.47Å; P50-G52 PolarHBondContact O-N 3.21Å |
| 53 | G | 89.7 | Confident | 85.8 | Confident | 32 Ų | 32 | 96.1 Ų | 96.1 | 33% | 0.33 | 52% | 0.515 | S | S | . | . | trans | -77.8 | 171.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | R48 L49 S51 | R48-G53 CarbonylContact C-O 3.59Å; R48-G53 WeakPolarHBondContact CA-O 3.47Å; L49-G53 PolarHBondContact N-O 2.93Å; S51-G53 PolarHBondContact O-N 2.99Å | ||
| 54 | Y | 86.6 | Confident | 86.3 | Confident | 150 Ų | 150 | 91.9 Ų | 91.9 | 59% | 0.588 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.8 | 170.7 | -69.7 | -94 | 0 | 0 | 0 | 110 | L46 K47 R48 | L46-Y54 HydrophobicContact CB-CD1 4.16Å; K47-Y54 WeakPolarHBondContact O-CA 3.27Å; R48-Y54 HydrophobicContact CB-CD1 4.09Å; R48-Y54 HydrophobicContact CB-CE1 3.82Å; R48-Y54 HydrophobicContact CG-CE1 4.17Å |
| 55 | S | 82.6 | Confident | 86.8 | Confident | 52 Ų | 52 | 95.1 Ų | 95.1 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.5 | 168 | 79.4 | 0 | 0 | 0 | 0 | 110.4 | L46 K47 L49 T57 | L46-S55 CarbonylContact C-O 3.6Å; L46-S55 VanDerWaalsContact CA-O 3.29Å; L46-S55 WeakPolarHBondContact CA-O 3.25Å; K47-S55 PolarHBondContact N-O 3.1Å; K47-S55 PolarHBondContact O-N 3.47Å; L49-S55 VanDerWaalsContact CD1-CB 3.47Å; L49-S55 VanDerWaalsContact CD1-OG 3.31Å; L49-S55 WeakPolarHBondContact CD1-OG 3.41Å; S55-T57 PolarHBondContact O-N 3.31Å |
| 56 | S | 82.6 | Confident | 87.2 | Confident | 53 Ų | 53 | 93.3 Ų | 93.3 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 138.8 | 166.9 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | E58 | S56-E58 VanDerWaalsContact C-N 3.3Å; S56-E58 WeakPolarHBondContact CB-O 3.33Å; S56-E58 PolarHBondContact OG-N 3.41Å; S56-E58 PolarHBondContact OG-O 3.17Å |
| 57 | T | 78.6 | Confident | 87.6 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -76.8 | -21.2 | 172.4 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | R45 K47 S55 | R45-T57 VanDerWaalsContact CB-OG1 3.29Å; R45-T57 WeakPolarHBondContact CB-OG1 3.47Å; R45-T57 WeakPolarHBondContact O-CB 3.35Å; R45-T57 PolarHBondContact O-N 3.07Å; R45-T57 PolarHBondContact O-OG1 3.08Å; K47-T57 HydrophobicContact CB-CG2 3.53Å; S55-T57 PolarHBondContact O-N 3.31Å |
| 58 | E | 78.4 | Confident | 87.9 | Confident | 92 Ų | 92 | 95.7 Ų | 95.7 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -136.1 | 157.3 | -173.1 | -65.1 | -179.6 | -152.9 | 0 | 0 | 111.1 | S56 L60 V63 R66 | S56-E58 VanDerWaalsContact C-N 3.3Å; S56-E58 WeakPolarHBondContact CB-O 3.33Å; S56-E58 PolarHBondContact OG-N 3.41Å; S56-E58 PolarHBondContact OG-O 3.17Å; E58-L60 PolarHBondContact O-N 3.23Å; E58-V63 HydrophobicContact CB-CG2 3.67Å; E58-V63 VanDerWaalsContact OE2-CG2 3.29Å; E58-V63 WeakPolarHBondContact OE2-CG2 3.39Å; E58-R66 IonicContact OE2-NH1 3.93Å |
| 59 | N | 85.9 | Confident | 88.1 | Confident | 98 Ų | 98 | 91.7 Ų | 91.7 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | trans | -67.1 | 118.2 | 172.8 | -176.3 | -68.1 | 0 | 0 | 0 | 109.6 | Q61 L62 V63 | N59-Q61 VanDerWaalsContact C-N 3.29Å; N59-Q61 PolarHBondContact O-N 2.89Å; N59-Q61 WeakPolarHBondContact OD1-CB 3.39Å; N59-Q61 PolarHBondContact OD1-N 2.94Å; N59-L62 HydrophobicContact CB-CB 4.31Å; N59-L62 HydrophobicContact CB-CD1 4.02Å; N59-L62 HydrophobicContact CB-CG 4.09Å; N59-L62 PolarHBondContact O-N 3.13Å; N59-L62 VanDerWaalsContact O-N 3.14Å; N59-L62 PolarHBondContact OD1-N 3.41Å; N59-V63 WeakPolarHBondContact O-CG2 3.34Å; N59-V63 PolarHBondContact O-N 2.9Å; N59-V63 VanDerWaalsContact O-N 3.1Å | ||
| 60 | L | 82.6 | Confident | 88.4 | Confident | 74 Ų | 74 | 91.2 Ų | 91.2 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -54.2 | -42.5 | -175.6 | 170.8 | 59.7 | 0 | 0 | 0 | 113 | A42 C44 E58 L62 V63 L64 | A42-L60 HydrophobicContact CB-CD1 3.34Å; C44-L60 WeakPolarHBondContact SG-CD1 3.39Å; E58-L60 PolarHBondContact O-N 3.23Å; L60-L62 PolarHBondContact O-N 2.95Å; L60-V63 PolarHBondContact O-N 3.42Å; L60-L64 HydrophobicContact CD1-CD1 3.93Å; L60-L64 HydrophobicContact CD1-CG 3.98Å; L60-L64 HydrophobicContact CG-CD1 4.15Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 3.37Å |
| 61 | Q | 85.6 | Confident | 88.7 | Confident | 123 Ų | 123 | 88.3 Ų | 88.3 | 58% | 0.575 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | -178.7 | -68.2 | -65.2 | -26.3 | 0 | 0 | 111.1 | N59 V63 L64 E65 | N59-Q61 VanDerWaalsContact C-N 3.29Å; N59-Q61 PolarHBondContact O-N 2.89Å; N59-Q61 WeakPolarHBondContact OD1-CB 3.39Å; N59-Q61 PolarHBondContact OD1-N 2.94Å; Q61-V63 VanDerWaalsContact C-N 3.35Å; Q61-V63 PolarHBondContact O-N 2.97Å; Q61-L64 PolarHBondContact O-N 3.04Å; Q61-E65 WeakPolarHBondContact O-CB 3.46Å; Q61-E65 PolarHBondContact O-N 3.24Å |
| 62 | L | 88 | Confident | 89 | Confident | 99 Ų | 99 | 86.2 Ų | 86.2 | 52% | 0.518 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 176.6 | -64.2 | -177.7 | 0 | 0 | 0 | 112.2 | N59 L60 E65 R66 | N59-L62 HydrophobicContact CB-CB 4.31Å; N59-L62 HydrophobicContact CB-CD1 4.02Å; N59-L62 HydrophobicContact CB-CG 4.09Å; N59-L62 PolarHBondContact O-N 3.13Å; N59-L62 VanDerWaalsContact O-N 3.14Å; N59-L62 PolarHBondContact OD1-N 3.41Å; L60-L62 PolarHBondContact O-N 2.95Å; L62-E65 PolarHBondContact O-N 3.31Å; L62-R66 WeakPolarHBondContact O-CB 3.42Å; L62-R66 VanDerWaalsContact O-CG 3.24Å; L62-R66 WeakPolarHBondContact O-CG 3.42Å; L62-R66 PolarHBondContact O-N 2.97Å |
| 63 | V | 86.8 | Confident | 89.4 | Confident | 32 Ų | 32 | 91.5 Ų | 91.5 | 19% | 0.194 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 111 | E58 N59 L60 Q61 R67 | E58-V63 HydrophobicContact CB-CG2 3.67Å; E58-V63 VanDerWaalsContact OE2-CG2 3.29Å; E58-V63 WeakPolarHBondContact OE2-CG2 3.39Å; N59-V63 WeakPolarHBondContact O-CG2 3.34Å; N59-V63 PolarHBondContact O-N 2.9Å; N59-V63 VanDerWaalsContact O-N 3.1Å; L60-V63 PolarHBondContact O-N 3.42Å; Q61-V63 VanDerWaalsContact C-N 3.35Å; Q61-V63 PolarHBondContact O-N 2.97Å; V63-R67 WeakPolarHBondContact O-CB 3.34Å; V63-R67 PolarHBondContact O-N 3.14Å |
| 64 | L | 87.6 | Confident | 89.8 | Confident | 47 Ų | 47 | 94 Ų | 94 | 25% | 0.246 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 178.7 | -72 | 177.7 | 0 | 0 | 0 | 111.7 | A42 L60 Q61 R67 R68 | A42-L64 HydrophobicContact CB-CD2 3.71Å; A42-L64 HydrophobicContact CB-CG 4.29Å; L60-L64 HydrophobicContact CD1-CD1 3.93Å; L60-L64 HydrophobicContact CD1-CG 3.98Å; L60-L64 HydrophobicContact CG-CD1 4.15Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 3.37Å; Q61-L64 PolarHBondContact O-N 3.04Å; L64-R67 WeakPolarHBondContact O-CB 3.35Å; L64-R67 PolarHBondContact O-N 3.2Å; L64-R68 WeakPolarHBondContact O-CG 3.34Å; L64-R68 PolarHBondContact O-N 3.33Å |
| 65 | E | 91.5 | Very high | 90.4 | Very high | 90 Ų | 90 | 95.7 Ų | 95.7 | 42% | 0.421 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.9 | -44.8 | -180 | -164.6 | 52.8 | -139.6 | 0 | 0 | 111.7 | Q61 L62 R67 R68 V69 | Q61-E65 WeakPolarHBondContact O-CB 3.46Å; Q61-E65 PolarHBondContact O-N 3.24Å; L62-E65 PolarHBondContact O-N 3.31Å; E65-R67 VanDerWaalsContact C-N 3.26Å; E65-R67 PolarHBondContact O-N 2.89Å; E65-R68 WeakPolarHBondContact O-CB 3.33Å; E65-R68 PolarHBondContact O-N 2.87Å; E65-R68 VanDerWaalsContact O-N 3.11Å; E65-R68 IonicContact OE2-CZ 3.99Å; E65-R68 IonicContact OE2-NH1 3.05Å; E65-R68 PolarHBondContact OE2-NH1 3.3Å; E65-V69 WeakPolarHBondContact O-CG2 3.47Å; E65-V69 PolarHBondContact O-N 3.15Å |
| 66 | R | 92.3 | Very high | 91.1 | Very high | 163 Ų | 163 | 97.9 Ų | 97.9 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -55.7 | -42.8 | 172.4 | -73.9 | 172.1 | -177.9 | 179.6 | -0.4 | 111.7 | E58 L62 V69 A70 | E58-R66 IonicContact OE2-NH1 3.93Å; L62-R66 WeakPolarHBondContact O-CB 3.42Å; L62-R66 VanDerWaalsContact O-CG 3.24Å; L62-R66 WeakPolarHBondContact O-CG 3.42Å; L62-R66 PolarHBondContact O-N 2.97Å; R66-V69 PolarHBondContact O-N 3.34Å; R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 3.37Å |
| 67 | R | 93.3 | Very high | 91.9 | Very high | 148 Ų | 148 | 101.8 Ų | 101.8 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 177.4 | -173.3 | 177.1 | -178.3 | -173 | -1.2 | 112 | V63 L64 E65 A70 N71 | V63-R67 WeakPolarHBondContact O-CB 3.34Å; V63-R67 PolarHBondContact O-N 3.14Å; L64-R67 WeakPolarHBondContact O-CB 3.35Å; L64-R67 PolarHBondContact O-N 3.2Å; E65-R67 VanDerWaalsContact C-N 3.26Å; E65-R67 PolarHBondContact O-N 2.89Å; R67-A70 PolarHBondContact O-N 3.25Å; R67-N71 WeakPolarHBondContact O-CB 3.39Å; R67-N71 PolarHBondContact O-N 3.32Å; R67-N71 PolarHBondContact O-ND2 3.29Å |
| 68 | R | 94.5 | Very high | 92.9 | Very high | 145 Ų | 145 | 101.1 Ų | 101.1 | 55% | 0.547 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 175.7 | -74.2 | 174.7 | -175.8 | 156.2 | -3.2 | 111.2 | L64 E65 N71 A72 | L64-R68 WeakPolarHBondContact O-CG 3.34Å; L64-R68 PolarHBondContact O-N 3.33Å; E65-R68 WeakPolarHBondContact O-CB 3.33Å; E65-R68 PolarHBondContact O-N 2.87Å; E65-R68 VanDerWaalsContact O-N 3.11Å; E65-R68 IonicContact OE2-CZ 3.99Å; E65-R68 IonicContact OE2-NH1 3.05Å; E65-R68 PolarHBondContact OE2-NH1 3.3Å; R68-N71 PolarHBondContact O-N 2.94Å; R68-A72 WeakPolarHBondContact O-CB 3.33Å; R68-A72 PolarHBondContact O-N 3.26Å |
| 69 | V | 97.6 | Very high | 93.8 | Very high | 89 Ų | 89 | 102.6 Ų | 102.6 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 178 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | E65 R66 N71 A72 K73 | E65-V69 WeakPolarHBondContact O-CG2 3.47Å; E65-V69 PolarHBondContact O-N 3.15Å; R66-V69 PolarHBondContact O-N 3.34Å; V69-N71 PolarHBondContact O-N 3.11Å; V69-A72 PolarHBondContact O-N 3.47Å; V69-K73 PolarHBondContact O-N 2.91Å |
| 70 | A | 97.3 | Very high | 94.4 | Very high | 56 Ų | 56 | 102 Ų | 102 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R66 R67 K73 E74 | R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 3.37Å; R67-A70 PolarHBondContact O-N 3.25Å; A70-K73 PolarHBondContact O-N 3.39Å; A70-E74 PolarHBondContact O-N 3.42Å |
| 71 | N | 98.1 | Very high | 95.2 | Very high | 84 Ų | 84 | 101.9 Ų | 101.9 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 176.9 | -73.9 | -12 | 0 | 0 | 0 | 112.4 | R67 R68 V69 K73 E74 R75 | R67-N71 WeakPolarHBondContact O-CB 3.39Å; R67-N71 PolarHBondContact O-N 3.32Å; R67-N71 PolarHBondContact O-ND2 3.29Å; R68-N71 PolarHBondContact O-N 2.94Å; V69-N71 PolarHBondContact O-N 3.11Å; N71-K73 VanDerWaalsContact C-N 3.34Å; N71-E74 PolarHBondContact O-N 3.41Å; N71-R75 WeakPolarHBondContact O-CG 3.5Å; N71-R75 PolarHBondContact O-N 3Å |
| 72 | A | 98.5 | Very high | 95.8 | Very high | 59 Ų | 59 | 99.2 Ų | 99.2 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R68 V69 R75 E76 | R68-A72 WeakPolarHBondContact O-CB 3.33Å; R68-A72 PolarHBondContact O-N 3.26Å; V69-A72 PolarHBondContact O-N 3.47Å; A72-R75 PolarHBondContact O-N 3.32Å; A72-E76 PolarHBondContact O-N 3.22Å |
| 73 | K | 98.7 | Very high | 96.3 | Very high | 164 Ų | 164 | 100.2 Ų | 100.2 | 71% | 0.713 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 175.5 | -173.5 | 177.5 | -179.9 | 179.1 | 0 | 112.1 | V69 A70 N71 R75 E76 R77 | V69-K73 PolarHBondContact O-N 2.91Å; A70-K73 PolarHBondContact O-N 3.39Å; N71-K73 VanDerWaalsContact C-N 3.34Å; K73-R75 PolarHBondContact O-N 2.88Å; K73-E76 PolarHBondContact O-N 3.37Å; K73-R77 PolarHBondContact O-N 3.02Å |
| 74 | E | 98.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 100.4 Ų | 100.4 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 178.6 | -179.6 | 56 | -163.3 | 0 | 0 | 112 | A70 N71 E76 R77 I78 | A70-E74 PolarHBondContact O-N 3.42Å; N71-E74 PolarHBondContact O-N 3.41Å; E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 3.46Å; E74-R77 VanDerWaalsContact CD-NE 3.3Å; E74-R77 WeakPolarHBondContact O-CB 3.24Å; E74-R77 PolarHBondContact O-N 3.31Å; E74-R77 IonicContact OE1-CZ 3.31Å; E74-R77 VanDerWaalsContact OE1-CZ 3.31Å; E74-R77 IonicContact OE1-NE 3.78Å; E74-R77 PolarHBondContact OE1-NE 3.01Å; E74-R77 IonicContact OE1-NH2 2.79Å; E74-R77 PolarHBondContact OE1-NH2 3.26Å; E74-R77 WeakPolarHBondContact OE2-CD 3.41Å; E74-R77 IonicContact OE2-CZ 2.77Å; E74-R77 IonicContact OE2-NE 2.9Å; E74-R77 PolarHBondContact OE2-NE 2.98Å; E74-R77 IonicContact OE2-NH2 3.31Å; E74-I78 WeakPolarHBondContact O-CG1 3.38Å; E74-I78 PolarHBondContact O-N 3.02Å |
| 75 | R | 98.8 | Very high | 97.3 | Very high | 187 Ų | 187 | 100 Ų | 100 | 71% | 0.706 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.3 | -42.2 | 172.4 | -74.5 | 178.4 | -176.4 | -149.1 | 1.8 | 111.4 | N71 A72 K73 I78 K79 | N71-R75 WeakPolarHBondContact O-CG 3.5Å; N71-R75 PolarHBondContact O-N 3Å; A72-R75 PolarHBondContact O-N 3.32Å; K73-R75 PolarHBondContact O-N 2.88Å; R75-I78 PolarHBondContact O-N 3.17Å; R75-K79 WeakPolarHBondContact O-CG 3.49Å; R75-K79 PolarHBondContact O-N 2.77Å |
| 76 | E | 98.8 | Very high | 97.6 | Very high | 98 Ų | 98 | 98.2 Ų | 98.2 | 46% | 0.458 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 177.8 | -164.6 | 53.1 | -140.2 | 0 | 0 | 112.3 | A72 K73 E74 I78 K79 N80 | A72-E76 PolarHBondContact O-N 3.22Å; K73-E76 PolarHBondContact O-N 3.37Å; E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 3.46Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 3.14Å; E76-K79 PolarHBondContact O-N 2.9Å; E76-K79 VanDerWaalsContact OE2-CD 3.25Å; E76-K79 WeakPolarHBondContact OE2-CD 3.42Å; E76-K79 IonicContact OE2-NZ 3.9Å; E76-K79 PolarHBondContact OE2-NZ 3.13Å; E76-N80 PolarHBondContact O-N 3.13Å |
| 77 | R | 98.7 | Very high | 97.9 | Very high | 135 Ų | 135 | 97 Ų | 97 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57 | -47.5 | 172.5 | -165.8 | -166.3 | 72.3 | 86.4 | -2.8 | 111.5 | K73 E74 N80 L81 | K73-R77 PolarHBondContact O-N 3.02Å; E74-R77 VanDerWaalsContact CD-NE 3.3Å; E74-R77 WeakPolarHBondContact O-CB 3.24Å; E74-R77 PolarHBondContact O-N 3.31Å; E74-R77 IonicContact OE1-CZ 3.31Å; E74-R77 VanDerWaalsContact OE1-CZ 3.31Å; E74-R77 IonicContact OE1-NE 3.78Å; E74-R77 PolarHBondContact OE1-NE 3.01Å; E74-R77 IonicContact OE1-NH2 2.79Å; E74-R77 PolarHBondContact OE1-NH2 3.26Å; E74-R77 WeakPolarHBondContact OE2-CD 3.41Å; E74-R77 IonicContact OE2-CZ 2.77Å; E74-R77 IonicContact OE2-NE 2.9Å; E74-R77 PolarHBondContact OE2-NE 2.98Å; E74-R77 IonicContact OE2-NH2 3.31Å; R77-N80 PolarHBondContact O-N 3.37Å; R77-L81 PolarHBondContact O-N 3.42Å |
| 78 | I | 98.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 92.6 Ų | 92.6 | 29% | 0.292 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 178.8 | -64.6 | -63.2 | 0 | 0 | 0 | 111.8 | E74 R75 E76 L81 N82 | E74-I78 WeakPolarHBondContact O-CG1 3.38Å; E74-I78 PolarHBondContact O-N 3.02Å; R75-I78 PolarHBondContact O-N 3.17Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 3.14Å; I78-L81 HydrophobicContact CD1-CD2 4.43Å; I78-L81 PolarHBondContact O-N 3.41Å; I78-N82 WeakPolarHBondContact O-CB 3.41Å; I78-N82 VanDerWaalsContact O-CG 3.24Å; I78-N82 PolarHBondContact O-N 2.94Å; I78-N82 PolarHBondContact O-ND2 3.19Å |
| 79 | K | 98.6 | Very high | 98.2 | Very high | 123 Ų | 123 | 90.3 Ų | 90.3 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 172.9 | -76.6 | 171.8 | -178.2 | 175.7 | 0 | 111.6 | R75 E76 N82 R83 | R75-K79 WeakPolarHBondContact O-CG 3.49Å; R75-K79 PolarHBondContact O-N 2.77Å; E76-K79 PolarHBondContact O-N 2.9Å; E76-K79 VanDerWaalsContact OE2-CD 3.25Å; E76-K79 WeakPolarHBondContact OE2-CD 3.42Å; E76-K79 IonicContact OE2-NZ 3.9Å; E76-K79 PolarHBondContact OE2-NZ 3.13Å; K79-N82 PolarHBondContact O-N 2.98Å; K79-R83 PolarHBondContact O-N 3.44Å |
| 80 | N | 98.6 | Very high | 98.1 | Very high | 85 Ų | 85 | 90 Ų | 90 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 176.4 | -171.5 | -50 | 0 | 0 | 0 | 111.3 | E76 R77 N82 R83 G84 | E76-N80 PolarHBondContact O-N 3.13Å; R77-N80 PolarHBondContact O-N 3.37Å; N80-N82 VanDerWaalsContact C-N 3.35Å; N80-N82 PolarHBondContact O-N 2.97Å; N80-R83 PolarHBondContact ND2-NH2 3.5Å; N80-R83 WeakPolarHBondContact O-CB 3.5Å; N80-R83 PolarHBondContact O-N 3.27Å; N80-R83 VanDerWaalsContact O-N 3.17Å; N80-R83 PolarHBondContact OD1-NH2 2.93Å; N80-G84 PolarHBondContact O-N 2.79Å |
| 81 | L | 98.5 | Very high | 98.1 | Very high | 71 Ų | 71 | 93.4 Ų | 93.4 | 37% | 0.372 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.3 | -47.5 | 174.1 | 175.6 | 62.8 | 0 | 0 | 0 | 112.1 | R77 I78 R83 G84 F85 | R77-L81 PolarHBondContact O-N 3.42Å; I78-L81 HydrophobicContact CD1-CD2 4.43Å; I78-L81 PolarHBondContact O-N 3.41Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 2.97Å; L81-G84 WeakPolarHBondContact O-CA 3.34Å; L81-G84 PolarHBondContact O-N 3.05Å; L81-G84 VanDerWaalsContact O-N 3.1Å; L81-F85 HydrophobicContact CD1-CD2 4.09Å; L81-F85 HydrophobicContact CD1-CE2 4.05Å; L81-F85 HydrophobicContact CG-CD2 4.3Å; L81-F85 HydrophobicContact CG-CE2 4.47Å; L81-F85 PolarHBondContact O-N 3.44Å |
| 82 | N | 98.3 | Very high | 98 | Very high | 67 Ų | 67 | 89.9 Ų | 89.9 | 36% | 0.358 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.5 | -31.9 | -179.8 | -70.8 | -20.7 | 0 | 0 | 0 | 112.1 | I78 K79 N80 G84 F85 A86 K103 | I78-N82 WeakPolarHBondContact O-CB 3.41Å; I78-N82 VanDerWaalsContact O-CG 3.24Å; I78-N82 PolarHBondContact O-N 2.94Å; I78-N82 PolarHBondContact O-ND2 3.19Å; K79-N82 PolarHBondContact O-N 2.98Å; N80-N82 VanDerWaalsContact C-N 3.35Å; N80-N82 PolarHBondContact O-N 2.97Å; N82-G84 VanDerWaalsContact C-N 3.34Å; N82-F85 PolarHBondContact O-N 2.88Å; N82-A86 PolarHBondContact O-N 3.37Å; N82-K103 PolarHBondContact OD1-NZ 3.34Å |
| 83 | R | 98.4 | Very high | 97.7 | Very high | 120 Ų | 120 | 89 Ų | 89 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 170.7 | -172.4 | -179.7 | 68.3 | -109.3 | -2.4 | 111.2 | K79 N80 L81 A86 K87 | K79-R83 PolarHBondContact O-N 3.44Å; N80-R83 PolarHBondContact ND2-NH2 3.5Å; N80-R83 WeakPolarHBondContact O-CB 3.5Å; N80-R83 PolarHBondContact O-N 3.27Å; N80-R83 VanDerWaalsContact O-N 3.17Å; N80-R83 PolarHBondContact OD1-NH2 2.93Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 2.97Å; R83-A86 PolarHBondContact O-N 3.39Å; R83-K87 WeakPolarHBondContact O-CG 3.44Å; R83-K87 PolarHBondContact O-N 3.19Å; R83-K87 VanDerWaalsContact O-N 3.08Å |
| 84 | G | 98.3 | Very high | 97 | Very high | 37 Ų | 37 | 90.7 Ų | 90.7 | 38% | 0.381 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | N80 L81 N82 A86 K87 L88 | N80-G84 PolarHBondContact O-N 2.79Å; L81-G84 WeakPolarHBondContact O-CA 3.34Å; L81-G84 PolarHBondContact O-N 3.05Å; L81-G84 VanDerWaalsContact O-N 3.1Å; N82-G84 VanDerWaalsContact C-N 3.34Å; G84-A86 VanDerWaalsContact C-N 3.31Å; G84-A86 PolarHBondContact O-N 3.23Å; G84-K87 PolarHBondContact O-N 3.34Å; G84-L88 PolarHBondContact O-N 3.4Å |
| 85 | F | 98.1 | Very high | 96.6 | Very high | 38 Ų | 38 | 87.9 Ų | 87.9 | 17% | 0.167 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 174.9 | -96.6 | -89 | 0 | 0 | 0 | 113.1 | L81 N82 L88 K89 K103 I106 L107 | L81-F85 HydrophobicContact CD1-CD2 4.09Å; L81-F85 HydrophobicContact CD1-CE2 4.05Å; L81-F85 HydrophobicContact CG-CD2 4.3Å; L81-F85 HydrophobicContact CG-CE2 4.47Å; L81-F85 PolarHBondContact O-N 3.44Å; N82-F85 PolarHBondContact O-N 2.88Å; F85-L88 PolarHBondContact O-N 3.17Å; F85-K89 VanDerWaalsContact O-CB 3.27Å; F85-K89 WeakPolarHBondContact O-CB 3.29Å; F85-K89 PolarHBondContact O-N 3.06Å; F85-K103 HydrophobicContact CD1-CB 4.37Å; F85-K103 HydrophobicContact CD1-CG 4.07Å; F85-K103 HydrophobicContact CE1-CB 3.7Å; F85-K103 HydrophobicContact CE1-CD 4.34Å; F85-K103 HydrophobicContact CE1-CG 3.82Å; F85-K103 HydrophobicContact CE2-CD 4.45Å; F85-K103 HydrophobicContact CZ-CB 4.11Å; F85-K103 HydrophobicContact CZ-CD 4.21Å; F85-K103 HydrophobicContact CZ-CG 4.18Å; F85-I106 HydrophobicContact CD1-CB 4.49Å; F85-I106 HydrophobicContact CD1-CD1 4.19Å; F85-I106 HydrophobicContact CD1-CG2 4.29Å; F85-L107 HydrophobicContact CE1-CD1 4.44Å; F85-L107 HydrophobicContact CE1-CD2 4.23Å; F85-L107 HydrophobicContact CE1-CG 4.04Å; F85-L107 HydrophobicContact CZ-CD1 4.15Å; F85-L107 HydrophobicContact CZ-CD2 4.14Å; F85-L107 HydrophobicContact CZ-CG 4.14Å |
| 86 | A | 96.9 | Very high | 95.8 | Very high | 52 Ų | 52 | 81.1 Ų | 81.1 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | N82 R83 G84 A90 | N82-A86 PolarHBondContact O-N 3.37Å; R83-A86 PolarHBondContact O-N 3.39Å; G84-A86 VanDerWaalsContact C-N 3.31Å; G84-A86 PolarHBondContact O-N 3.23Å; A86-A90 PolarHBondContact O-N 3.38Å |
| 87 | K | 97.9 | Very high | 94.7 | Very high | 139 Ų | 139 | 85.6 Ų | 85.6 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.3 | -48.5 | 173.2 | -70.3 | -177.5 | 178.7 | -168.9 | 0 | 111.3 | R83 G84 K89 A90 L91 | R83-K87 WeakPolarHBondContact O-CG 3.44Å; R83-K87 PolarHBondContact O-N 3.19Å; R83-K87 VanDerWaalsContact O-N 3.08Å; G84-K87 PolarHBondContact O-N 3.34Å; K87-K89 VanDerWaalsContact C-N 3.33Å; K87-K89 PolarHBondContact O-N 2.97Å; K87-A90 WeakPolarHBondContact O-CB 3.49Å; K87-A90 PolarHBondContact O-N 2.93Å; K87-A90 VanDerWaalsContact O-N 3.09Å; K87-L91 PolarHBondContact O-N 2.92Å |
| 88 | L | 97.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 84.7 Ų | 84.7 | 29% | 0.288 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 177.7 | -177.2 | 59.9 | 0 | 0 | 0 | 111.1 | G84 F85 A90 L91 V92 I106 L107 A110 | G84-L88 PolarHBondContact O-N 3.4Å; F85-L88 PolarHBondContact O-N 3.17Å; L88-A90 PolarHBondContact O-N 3.07Å; L88-A90 VanDerWaalsContact O-N 3.13Å; L88-L91 PolarHBondContact O-N 3.27Å; L88-V92 HydrophobicContact CD1-CG2 3.91Å; L88-V92 HydrophobicContact CG-CG2 4.07Å; L88-V92 VanDerWaalsContact O-CG2 3.31Å; L88-V92 WeakPolarHBondContact O-CG2 3.4Å; L88-V92 PolarHBondContact O-N 3.48Å; L88-I106 HydrophobicContact CB-CG2 4.27Å; L88-I106 HydrophobicContact CD2-CG2 3.8Å; L88-I106 HydrophobicContact CG-CG2 3.79Å; L88-L107 HydrophobicContact CD2-CD2 4.19Å; L88-A110 HydrophobicContact CD1-CB 3.93Å; L88-A110 HydrophobicContact CD2-CB 4.29Å; L88-A110 HydrophobicContact CG-CB 4.36Å |
| 89 | K | 96.6 | Very high | 93.2 | Very high | 96 Ų | 96 | 89.5 Ų | 89.5 | 42% | 0.417 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -54.7 | -32.6 | 176.4 | -172.9 | -178.2 | 65.9 | 69.6 | 0 | 113.5 | F85 K87 L95 P101 I106 | F85-K89 VanDerWaalsContact O-CB 3.27Å; F85-K89 WeakPolarHBondContact O-CB 3.29Å; F85-K89 PolarHBondContact O-N 3.06Å; K87-K89 VanDerWaalsContact C-N 3.33Å; K87-K89 PolarHBondContact O-N 2.97Å; K89-L95 HydrophobicContact CB-CD1 4.39Å; K89-L95 HydrophobicContact CG-CD1 3.64Å; K89-P101 HydrophobicContact CD-CG 3.71Å; K89-P101 HydrophobicContact CG-CG 4.03Å; K89-I106 HydrophobicContact CB-CD1 3.98Å; K89-I106 HydrophobicContact CB-CG1 4.29Å; K89-I106 HydrophobicContact CB-CG2 4.43Å; K89-I106 HydrophobicContact CD-CD1 4.03Å; K89-I106 HydrophobicContact CG-CD1 4.02Å; K89-I106 HydrophobicContact CG-CG1 4.21Å |
| 90 | A | 95.6 | Very high | 92.8 | Very high | 84 Ų | 84 | 93.2 Ų | 93.2 | 69% | 0.694 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -76.8 | -24.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | A86 K87 L88 | A86-A90 PolarHBondContact O-N 3.38Å; K87-A90 WeakPolarHBondContact O-CB 3.49Å; K87-A90 PolarHBondContact O-N 2.93Å; K87-A90 VanDerWaalsContact O-N 3.09Å; L88-A90 PolarHBondContact O-N 3.07Å; L88-A90 VanDerWaalsContact O-N 3.13Å |
| 91 | L | 96.8 | Very high | 92.5 | Very high | 126 Ų | 126 | 90.6 Ų | 90.6 | 66% | 0.66 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -88.6 | -27.6 | 179.3 | -63.7 | 174.4 | 0 | 0 | 0 | 112.9 | K87 L88 P93 | K87-L91 PolarHBondContact O-N 2.92Å; L88-L91 PolarHBondContact O-N 3.27Å; L91-P93 VanDerWaalsContact O-CD 3.28Å; L91-P93 WeakPolarHBondContact O-CD 3.47Å |
| 92 | V | 96.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 89.6 Ų | 89.6 | 7% | 0.067 | 47% | 0.467 | C | S | . | . | trans | -80.2 | 115.9 | -176.3 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | L88 L95 A110 | L88-V92 HydrophobicContact CD1-CG2 3.91Å; L88-V92 HydrophobicContact CG-CG2 4.07Å; L88-V92 VanDerWaalsContact O-CG2 3.31Å; L88-V92 WeakPolarHBondContact O-CG2 3.4Å; L88-V92 PolarHBondContact O-N 3.48Å; V92-L95 HydrophobicContact CB-CD1 4.18Å; V92-L95 HydrophobicContact CB-CD2 4.46Å; V92-L95 HydrophobicContact CB-CG 4.25Å; V92-L95 HydrophobicContact CG1-CD1 4.32Å; V92-L95 HydrophobicContact CG1-CD2 3.76Å; V92-L95 HydrophobicContact CG1-CG 3.89Å; V92-A110 HydrophobicContact CG2-CB 3.6Å | ||
| 93 | P | 92.9 | Very high | 92.2 | Very high | 41 Ų | 41 | 91.5 Ų | 91.5 | 27% | 0.266 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 164.2 | 175.4 | 31.9 | -33.1 | 0 | 0 | 0 | 111.6 | L91 L95 Y113 | L91-P93 VanDerWaalsContact O-CD 3.28Å; L91-P93 WeakPolarHBondContact O-CD 3.47Å; P93-L95 PolarHBondContact O-N 3.13Å; P93-L95 VanDerWaalsContact O-N 3.15Å; P93-Y113 VanDerWaalsContact CD-CG 3.44Å; P93-Y113 HydrophobicContact CG-CD1 4.07Å; P93-Y113 HydrophobicContact CG-CD2 3.46Å; P93-Y113 VanDerWaalsContact CG-CD2 3.46Å; P93-Y113 HydrophobicContact CG-CE1 4.17Å; P93-Y113 HydrophobicContact CG-CE2 3.61Å; P93-Y113 HydrophobicContact CG-CG 3.72Å |
| 94 | F | 84.9 | Confident | 92.1 | Very high | 199 Ų | 199 | 89.8 Ų | 89.8 | 87% | 0.873 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 20.6 | 172.7 | -44.5 | -64.6 | 0 | 0 | 0 | 116.7 | ||
| 95 | L | 89.9 | Confident | 92 | Very high | 25 Ų | 25 | 89.9 Ų | 89.9 | 13% | 0.131 | 47% | 0.466 | C | S | . | . | trans | -61.7 | 148.5 | 168.6 | -65.9 | 178 | 0 | 0 | 0 | 111 | K89 V92 P93 Q97 P101 I106 | K89-L95 HydrophobicContact CB-CD1 4.39Å; K89-L95 HydrophobicContact CG-CD1 3.64Å; V92-L95 HydrophobicContact CB-CD1 4.18Å; V92-L95 HydrophobicContact CB-CD2 4.46Å; V92-L95 HydrophobicContact CB-CG 4.25Å; V92-L95 HydrophobicContact CG1-CD1 4.32Å; V92-L95 HydrophobicContact CG1-CD2 3.76Å; V92-L95 HydrophobicContact CG1-CG 3.89Å; P93-L95 PolarHBondContact O-N 3.13Å; P93-L95 VanDerWaalsContact O-N 3.15Å; L95-Q97 PolarHBondContact O-N 2.75Å; L95-P101 HydrophobicContact CB-CB 4.22Å; L95-P101 HydrophobicContact CB-CG 4.38Å; L95-P101 HydrophobicContact CD1-CB 4.27Å; L95-P101 HydrophobicContact CD1-CG 4.03Å; L95-P101 HydrophobicContact CD2-CB 4.41Å; L95-I106 HydrophobicContact CD1-CG1 4.11Å; L95-I106 HydrophobicContact CD2-CG1 4.47Å | ||
| 96 | P | 81.2 | Confident | 92 | Very high | 45 Ų | 45 | 88.4 Ų | 88.4 | 29% | 0.292 | 46% | 0.46 | S | S | . | . | trans | -53 | 112.1 | 178.8 | -23.9 | 30.7 | 0 | 0 | 0 | 111 | R99 | P96-R99 HydrophobicContact CB-CG 4.04Š| ||
| 97 | Q | 75.3 | Confident | 92 | Very high | 191 Ų | 191 | 90.1 Ų | 90.1 | 89% | 0.893 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -22 | -177.9 | -63.7 | -175.4 | 3.3 | 0 | 0 | 112.5 | L95 R99 | L95-Q97 PolarHBondContact O-N 2.75Å; Q97-R99 PolarHBondContact O-N 2.94Å |
| 98 | S | 80.3 | Confident | 91.9 | Very high | 117 Ų | 117 | 89.6 Ų | 89.6 | 82% | 0.818 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -14.7 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 99 | R | 85.8 | Confident | 91.8 | Very high | 158 Ų | 158 | 87.6 Ų | 87.6 | 60% | 0.596 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -149 | 163.3 | -177.9 | 68.3 | -175.7 | -170.9 | -153.3 | 2.3 | 112 | P96 Q97 P101 D105 | P96-R99 HydrophobicContact CB-CG 4.04Å; Q97-R99 PolarHBondContact O-N 2.94Å; R99-P101 WeakPolarHBondContact O-CD 3.22Å; R99-D105 IonicContact NH2-OD2 3.98Å |
| 100 | K | 90.7 | Very high | 91.9 | Very high | 200 Ų | 200 | 83.5 Ų | 83.5 | 87% | 0.87 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 120.9 | 169.6 | -69.4 | 177.1 | -178.4 | 172.2 | 0 | 108.7 | ||
| 101 | P | 91.6 | Very high | 92 | Very high | 30 Ų | 30 | 83.2 Ų | 83.2 | 20% | 0.195 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 137.8 | -178.5 | 27.6 | -34.8 | 0 | 0 | 0 | 110.2 | K89 L95 R99 D105 I106 | K89-P101 HydrophobicContact CD-CG 3.71Å; K89-P101 HydrophobicContact CG-CG 4.03Å; L95-P101 HydrophobicContact CB-CB 4.22Å; L95-P101 HydrophobicContact CB-CG 4.38Å; L95-P101 HydrophobicContact CD1-CB 4.27Å; L95-P101 HydrophobicContact CD1-CG 4.03Å; L95-P101 HydrophobicContact CD2-CB 4.41Å; R99-P101 WeakPolarHBondContact O-CD 3.22Å; P101-D105 HydrophobicContact CB-CB 4.29Å; P101-I106 HydrophobicContact CB-CG1 4.06Å; P101-I106 HydrophobicContact CG-CD1 4.35Å; P101-I106 HydrophobicContact CG-CG1 4.18Å |
| 102 | S | 95.8 | Very high | 92 | Very high | 51 Ų | 51 | 82.6 Ų | 82.6 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 165 | 177.6 | 73.8 | 0 | 0 | 0 | 0 | 111.4 | V104 D105 I106 | S102-V104 PolarHBondContact O-N 3.11Å; S102-V104 PolarHBondContact OG-N 3.09Å; S102-D105 WeakPolarHBondContact CB-OD2 3.41Å; S102-D105 PolarHBondContact N-OD2 3.1Å; S102-D105 PolarHBondContact O-N 2.95Å; S102-D105 PolarHBondContact OG-N 2.87Å; S102-D105 VanDerWaalsContact OG-N 3.07Å; S102-D105 PolarHBondContact OG-OD1 3.42Å; S102-D105 PolarHBondContact OG-OD2 3.47Å; S102-I106 WeakPolarHBondContact O-CG1 3.36Å; S102-I106 PolarHBondContact O-N 3Å |
| 103 | K | 96.4 | Very high | 92.1 | Very high | 106 Ų | 106 | 86.3 Ų | 86.3 | 46% | 0.461 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.6 | -37.4 | 173.6 | -71.9 | -172.4 | 176.1 | -174.4 | 0 | 111.5 | N82 F85 L107 | N82-K103 PolarHBondContact OD1-NZ 3.34Å; F85-K103 HydrophobicContact CD1-CB 4.37Å; F85-K103 HydrophobicContact CD1-CG 4.07Å; F85-K103 HydrophobicContact CE1-CB 3.7Å; F85-K103 HydrophobicContact CE1-CD 4.34Å; F85-K103 HydrophobicContact CE1-CG 3.82Å; F85-K103 HydrophobicContact CE2-CD 4.45Å; F85-K103 HydrophobicContact CZ-CB 4.11Å; F85-K103 HydrophobicContact CZ-CD 4.21Å; F85-K103 HydrophobicContact CZ-CG 4.18Å; K103-L107 VanDerWaalsContact O-CG 3.27Å; K103-L107 WeakPolarHBondContact O-CG 3.43Å; K103-L107 PolarHBondContact O-N 3.45Å |
| 104 | V | 96.5 | Very high | 92.3 | Very high | 84 Ų | 84 | 89.5 Ų | 89.5 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.3 | -43.7 | 178 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | S102 I106 L107 K108 | S102-V104 PolarHBondContact O-N 3.11Å; S102-V104 PolarHBondContact OG-N 3.09Å; V104-I106 VanDerWaalsContact C-N 3.32Å; V104-I106 PolarHBondContact O-N 3.08Å; V104-L107 PolarHBondContact O-N 2.92Å; V104-K108 HydrophobicContact CG1-CD 4.18Å; V104-K108 HydrophobicContact CG1-CG 4.36Å; V104-K108 WeakPolarHBondContact O-CG 3.27Å; V104-K108 PolarHBondContact O-N 3.28Å |
| 105 | D | 95.4 | Very high | 92.8 | Very high | 39 Ų | 39 | 85.1 Ų | 85.1 | 21% | 0.209 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 178.1 | -59.4 | -35.3 | 0 | 0 | 0 | 111.2 | R99 P101 S102 L107 K108 G109 | R99-D105 IonicContact NH2-OD2 3.98Å; P101-D105 HydrophobicContact CB-CB 4.29Å; S102-D105 WeakPolarHBondContact CB-OD2 3.41Å; S102-D105 PolarHBondContact N-OD2 3.1Å; S102-D105 PolarHBondContact O-N 2.95Å; S102-D105 PolarHBondContact OG-N 2.87Å; S102-D105 VanDerWaalsContact OG-N 3.07Å; S102-D105 PolarHBondContact OG-OD1 3.42Å; S102-D105 PolarHBondContact OG-OD2 3.47Å; D105-L107 VanDerWaalsContact C-N 3.34Å; D105-L107 PolarHBondContact O-N 2.97Å; D105-K108 PolarHBondContact O-N 2.94Å; D105-G109 PolarHBondContact O-N 3.46Å |
| 106 | I | 96.9 | Very high | 93.1 | Very high | 8 Ų | 8 | 87.8 Ų | 87.8 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.9 | -64.3 | 162.7 | 0 | 0 | 0 | 110.9 | F85 L88 K89 L95 P101 S102 V104 A110 | F85-I106 HydrophobicContact CD1-CB 4.49Å; F85-I106 HydrophobicContact CD1-CD1 4.19Å; F85-I106 HydrophobicContact CD1-CG2 4.29Å; L88-I106 HydrophobicContact CB-CG2 4.27Å; L88-I106 HydrophobicContact CD2-CG2 3.8Å; L88-I106 HydrophobicContact CG-CG2 3.79Å; K89-I106 HydrophobicContact CB-CD1 3.98Å; K89-I106 HydrophobicContact CB-CG1 4.29Å; K89-I106 HydrophobicContact CB-CG2 4.43Å; K89-I106 HydrophobicContact CD-CD1 4.03Å; K89-I106 HydrophobicContact CG-CD1 4.02Å; K89-I106 HydrophobicContact CG-CG1 4.21Å; L95-I106 HydrophobicContact CD1-CG1 4.11Å; L95-I106 HydrophobicContact CD2-CG1 4.47Å; P101-I106 HydrophobicContact CB-CG1 4.06Å; P101-I106 HydrophobicContact CG-CD1 4.35Å; P101-I106 HydrophobicContact CG-CG1 4.18Å; S102-I106 WeakPolarHBondContact O-CG1 3.36Å; S102-I106 PolarHBondContact O-N 3Å; V104-I106 VanDerWaalsContact C-N 3.32Å; V104-I106 PolarHBondContact O-N 3.08Å; I106-A110 WeakPolarHBondContact O-CB 3.36Å; I106-A110 PolarHBondContact O-N 2.98Å |
| 107 | L | 97.9 | Very high | 93.8 | Very high | 88 Ų | 88 | 88.9 Ų | 88.9 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 179.9 | -69.8 | 174.6 | 0 | 0 | 0 | 112 | F85 L88 K103 V104 D105 A110 T111 | F85-L107 HydrophobicContact CE1-CD1 4.44Å; F85-L107 HydrophobicContact CE1-CD2 4.23Å; F85-L107 HydrophobicContact CE1-CG 4.04Å; F85-L107 HydrophobicContact CZ-CD1 4.15Å; F85-L107 HydrophobicContact CZ-CD2 4.14Å; F85-L107 HydrophobicContact CZ-CG 4.14Å; L88-L107 HydrophobicContact CD2-CD2 4.19Å; K103-L107 VanDerWaalsContact O-CG 3.27Å; K103-L107 WeakPolarHBondContact O-CG 3.43Å; K103-L107 PolarHBondContact O-N 3.45Å; V104-L107 PolarHBondContact O-N 2.92Å; D105-L107 VanDerWaalsContact C-N 3.34Å; D105-L107 PolarHBondContact O-N 2.97Å; L107-A110 PolarHBondContact O-N 2.94Å; L107-T111 PolarHBondContact O-N 3.32Å; L107-T111 VanDerWaalsContact O-N 3.13Å; L107-T111 PolarHBondContact O-OG1 3.14Å; L107-T111 VanDerWaalsContact O-OG1 3.11Å |
| 108 | K | 96.3 | Very high | 94.8 | Very high | 128 Ų | 128 | 82.9 Ų | 82.9 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.3 | -49.8 | 177 | -72.9 | -175.7 | 175.8 | -170.6 | 0 | 111.6 | V104 D105 A110 T111 E112 | V104-K108 HydrophobicContact CG1-CD 4.18Å; V104-K108 HydrophobicContact CG1-CG 4.36Å; V104-K108 WeakPolarHBondContact O-CG 3.27Å; V104-K108 PolarHBondContact O-N 3.28Å; D105-K108 PolarHBondContact O-N 2.94Å; K108-A110 VanDerWaalsContact C-N 3.27Å; K108-A110 PolarHBondContact O-N 2.9Å; K108-T111 PolarHBondContact O-N 2.93Å; K108-T111 VanDerWaalsContact O-N 3.14Å; K108-E112 WeakPolarHBondContact O-CG 3.09Å; K108-E112 PolarHBondContact O-N 3.11Å |
| 109 | G | 96 | Very high | 95.5 | Very high | 12 Ų | 12 | 83 Ų | 83 | 12% | 0.124 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61 | -35.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D105 Y113 | D105-G109 PolarHBondContact O-N 3.46Å; G109-Y113 VanDerWaalsContact O-CB 3.23Å; G109-Y113 WeakPolarHBondContact O-CB 3.44Å; G109-Y113 PolarHBondContact O-N 2.72Å |
| 110 | A | 98 | Very high | 95.9 | Very high | 11 Ų | 11 | 81.1 Ų | 81.1 | 9% | 0.091 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L88 V92 I106 L107 K108 Y113 I114 | L88-A110 HydrophobicContact CD1-CB 3.93Å; L88-A110 HydrophobicContact CD2-CB 4.29Å; L88-A110 HydrophobicContact CG-CB 4.36Å; V92-A110 HydrophobicContact CG2-CB 3.6Å; I106-A110 WeakPolarHBondContact O-CB 3.36Å; I106-A110 PolarHBondContact O-N 2.98Å; L107-A110 PolarHBondContact O-N 2.94Å; K108-A110 VanDerWaalsContact C-N 3.27Å; K108-A110 PolarHBondContact O-N 2.9Å; A110-Y113 PolarHBondContact O-N 3.46Å; A110-I114 VanDerWaalsContact O-CG1 3.3Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 3.43Å |
| 111 | T | 97.6 | Very high | 96.1 | Very high | 78 Ų | 78 | 77.5 Ų | 77.5 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 178.2 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | L107 K108 Y113 I114 Q115 | L107-T111 PolarHBondContact O-N 3.32Å; L107-T111 VanDerWaalsContact O-N 3.13Å; L107-T111 PolarHBondContact O-OG1 3.14Å; L107-T111 VanDerWaalsContact O-OG1 3.11Å; K108-T111 PolarHBondContact O-N 2.93Å; K108-T111 VanDerWaalsContact O-N 3.14Å; T111-Y113 VanDerWaalsContact C-N 3.33Å; T111-Y113 PolarHBondContact O-N 3.38Å; T111-I114 PolarHBondContact O-N 3.21Å; T111-Q115 WeakPolarHBondContact O-CG 3.11Å; T111-Q115 PolarHBondContact O-N 3.06Å; T111-Q115 VanDerWaalsContact O-N 3.12Å |
| 112 | E | 96.6 | Very high | 95.9 | Very high | 113 Ų | 113 | 77.6 Ų | 77.6 | 53% | 0.528 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.4 | -71 | 168.2 | -157.5 | 0 | 0 | 111.2 | K108 I114 Q115 V116 | K108-E112 WeakPolarHBondContact O-CG 3.09Å; K108-E112 PolarHBondContact O-N 3.11Å; E112-I114 PolarHBondContact O-N 3.2Å; E112-Q115 WeakPolarHBondContact O-CB 3.1Å; E112-Q115 PolarHBondContact O-N 3.35Å; E112-V116 WeakPolarHBondContact O-CG2 3.29Å; E112-V116 PolarHBondContact O-N 2.76Å |
| 113 | Y | 97.4 | Very high | 94.7 | Very high | 89 Ų | 89 | 77.3 Ų | 77.3 | 35% | 0.349 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 179.6 | -176 | -137.6 | 0 | 0 | 0 | 112.6 | P93 G109 A110 T111 Q115 V116 L117 | P93-Y113 VanDerWaalsContact CD-CG 3.44Å; P93-Y113 HydrophobicContact CG-CD1 4.07Å; P93-Y113 HydrophobicContact CG-CD2 3.46Å; P93-Y113 VanDerWaalsContact CG-CD2 3.46Å; P93-Y113 HydrophobicContact CG-CE1 4.17Å; P93-Y113 HydrophobicContact CG-CE2 3.61Å; P93-Y113 HydrophobicContact CG-CG 3.72Å; G109-Y113 VanDerWaalsContact O-CB 3.23Å; G109-Y113 WeakPolarHBondContact O-CB 3.44Å; G109-Y113 PolarHBondContact O-N 2.72Å; A110-Y113 PolarHBondContact O-N 3.46Å; T111-Y113 VanDerWaalsContact C-N 3.33Å; T111-Y113 PolarHBondContact O-N 3.38Å; Y113-Q115 VanDerWaalsContact C-N 3.3Å; Y113-Q115 PolarHBondContact O-N 3.1Å; Y113-V116 PolarHBondContact O-N 3.39Å; Y113-L117 HydrophobicContact CD1-CD1 4.28Å; Y113-L117 HydrophobicContact CD2-CD1 4.27Å; Y113-L117 HydrophobicContact CD2-CG 4.06Å; Y113-L117 HydrophobicContact CE1-CD1 3.85Å; Y113-L117 HydrophobicContact CE2-CD1 3.82Å; Y113-L117 HydrophobicContact CE2-CD2 3.84Å; Y113-L117 HydrophobicContact CE2-CG 3.7Å; Y113-L117 HydrophobicContact CG-CD1 4.48Å; Y113-L117 WeakPolarHBondContact O-CG 3.33Å; Y113-L117 PolarHBondContact O-N 3.29Å |
| 114 | I | 97 | Very high | 93 | Very high | 107 Ų | 107 | 75.2 Ų | 75.2 | 55% | 0.549 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 174.3 | -68.5 | 164.9 | 0 | 0 | 0 | 110.7 | A110 T111 E112 L117 S118 | A110-I114 VanDerWaalsContact O-CG1 3.3Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 3.43Å; T111-I114 PolarHBondContact O-N 3.21Å; E112-I114 PolarHBondContact O-N 3.2Å; I114-L117 PolarHBondContact O-N 3.45Å; I114-S118 WeakPolarHBondContact O-CB 3.46Å; I114-S118 PolarHBondContact O-N 3.49Å; I114-S118 PolarHBondContact O-OG 3Å |
| 115 | Q | 96.5 | Very high | 91.3 | Very high | 108 Ų | 108 | 79 Ų | 79 | 51% | 0.505 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 178.2 | -71.3 | 165.8 | 2.2 | 0 | 0 | 111.4 | T111 E112 Y113 L117 S118 D119 | T111-Q115 WeakPolarHBondContact O-CG 3.11Å; T111-Q115 PolarHBondContact O-N 3.06Å; T111-Q115 VanDerWaalsContact O-N 3.12Å; E112-Q115 WeakPolarHBondContact O-CB 3.1Å; E112-Q115 PolarHBondContact O-N 3.35Å; Y113-Q115 VanDerWaalsContact C-N 3.3Å; Y113-Q115 PolarHBondContact O-N 3.1Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 3.14Å; Q115-S118 WeakPolarHBondContact O-CA 3.31Å; Q115-S118 WeakPolarHBondContact O-CB 3.29Å; Q115-S118 PolarHBondContact O-N 3.01Å; Q115-D119 PolarHBondContact O-N 2.65Å |
| 116 | V | 96.1 | Very high | 89.5 | Confident | 81 Ų | 81 | 83.4 Ų | 83.4 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.9 | -45.9 | 178.2 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | E112 Y113 S118 D119 L120 | E112-V116 WeakPolarHBondContact O-CG2 3.29Å; E112-V116 PolarHBondContact O-N 2.76Å; Y113-V116 PolarHBondContact O-N 3.39Å; V116-S118 VanDerWaalsContact C-N 3.3Å; V116-S118 PolarHBondContact O-N 3.27Å; V116-D119 PolarHBondContact O-N 3.46Å; V116-L120 HydrophobicContact CG1-CD1 4.02Å; V116-L120 VanDerWaalsContact O-CG 3.26Å; V116-L120 WeakPolarHBondContact O-CG 3.42Å; V116-L120 PolarHBondContact O-N 3.12Å |
| 117 | L | 96.3 | Very high | 87.5 | Confident | 68 Ų | 68 | 87.2 Ų | 87.2 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 177 | -69.1 | 179.8 | 0 | 0 | 0 | 112.3 | Y113 I114 Q115 L121 | Y113-L117 HydrophobicContact CD1-CD1 4.28Å; Y113-L117 HydrophobicContact CD2-CD1 4.27Å; Y113-L117 HydrophobicContact CD2-CG 4.06Å; Y113-L117 HydrophobicContact CE1-CD1 3.85Å; Y113-L117 HydrophobicContact CE2-CD1 3.82Å; Y113-L117 HydrophobicContact CE2-CD2 3.84Å; Y113-L117 HydrophobicContact CE2-CG 3.7Å; Y113-L117 HydrophobicContact CG-CD1 4.48Å; Y113-L117 WeakPolarHBondContact O-CG 3.33Å; Y113-L117 PolarHBondContact O-N 3.29Å; I114-L117 PolarHBondContact O-N 3.45Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 3.14Å; L117-L121 WeakPolarHBondContact O-CB 3.4Å; L117-L121 VanDerWaalsContact O-CG 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 2.78Å |
| 118 | S | 96.1 | Very high | 85.3 | Confident | 65 Ų | 65 | 92.2 Ų | 92.2 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 178 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | I114 Q115 V116 L121 G122 | I114-S118 WeakPolarHBondContact O-CB 3.46Å; I114-S118 PolarHBondContact O-N 3.49Å; I114-S118 PolarHBondContact O-OG 3Å; Q115-S118 WeakPolarHBondContact O-CA 3.31Å; Q115-S118 WeakPolarHBondContact O-CB 3.29Å; Q115-S118 PolarHBondContact O-N 3.01Å; V116-S118 VanDerWaalsContact C-N 3.3Å; V116-S118 PolarHBondContact O-N 3.27Å; S118-L121 PolarHBondContact O-N 3.34Å; S118-G122 PolarHBondContact O-N 3.42Å |
| 119 | D | 94.3 | Very high | 83.2 | Confident | 119 Ų | 119 | 95.2 Ų | 95.2 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67 | -41.9 | 178.4 | -65.4 | -18.4 | 0 | 0 | 0 | 111.6 | Q115 V116 L121 G122 G123 | Q115-D119 PolarHBondContact O-N 2.65Å; V116-D119 PolarHBondContact O-N 3.46Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 2.89Å; D119-G122 PolarHBondContact O-N 3.23Å; D119-G123 PolarHBondContact O-N 3.26Å |
| 120 | L | 95.4 | Very high | 80.7 | Confident | 119 Ų | 119 | 103.4 Ų | 103.4 | 62% | 0.623 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.9 | -41.2 | 175.3 | -72.5 | 172 | 0 | 0 | 0 | 111.9 | V116 A124 | V116-L120 HydrophobicContact CG1-CD1 4.02Å; V116-L120 VanDerWaalsContact O-CG 3.26Å; V116-L120 WeakPolarHBondContact O-CG 3.42Å; V116-L120 PolarHBondContact O-N 3.12Å; L120-A124 PolarHBondContact O-N 2.65Å |
| 121 | L | 94.6 | Very high | 78.1 | Confident | 124 Ų | 124 | 110.1 Ų | 110.1 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.5 | -30 | 176.5 | -70.3 | 170.6 | 0 | 0 | 0 | 112.6 | L117 S118 D119 | L117-L121 WeakPolarHBondContact O-CB 3.4Å; L117-L121 VanDerWaalsContact O-CG 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 2.78Å; S118-L121 PolarHBondContact O-N 3.34Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 2.89Å |
| 122 | G | 86.8 | Confident | 75.9 | Confident | 31 Ų | 31 | 111.8 Ų | 111.8 | 32% | 0.32 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72 | -49.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S118 D119 A124 K125 | S118-G122 PolarHBondContact O-N 3.42Å; D119-G122 PolarHBondContact O-N 3.23Å; G122-A124 PolarHBondContact O-N 3.41Å; G122-K125 WeakPolarHBondContact O-CB 3.47Å; G122-K125 PolarHBondContact O-N 3.37Å |
| 123 | G | 70.1 | Confident | 73.5 | Confident | 46 Ų | 46 | 113.5 Ų | 113.5 | 47% | 0.474 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.1 | -24.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D119 K125 S127 | D119-G123 PolarHBondContact O-N 3.26Å; G123-K125 VanDerWaalsContact C-N 3.29Å; G123-K125 PolarHBondContact O-N 2.89Å; G123-S127 PolarHBondContact O-OG 3.43Å |
| 124 | A | 61.3 | Low | 70.9 | Confident | 62 Ų | 62 | 117.7 Ų | 117.7 | 51% | 0.512 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -71.6 | -19 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L120 G122 S127 | L120-A124 PolarHBondContact O-N 2.65Å; G122-A124 PolarHBondContact O-N 3.41Å; A124-S127 PolarHBondContact O-OG 3.29Å |
| 125 | K | 60.3 | Low | 68.6 | Low | 163 Ų | 163 | 121.8 Ų | 121.8 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -87.7 | -28.1 | 177.9 | -69.2 | -177.6 | 177 | 179.6 | 0 | 112.6 | G122 G123 S127 | G122-K125 WeakPolarHBondContact O-CB 3.47Å; G122-K125 PolarHBondContact O-N 3.37Å; G123-K125 VanDerWaalsContact C-N 3.29Å; G123-K125 PolarHBondContact O-N 2.89Å; K125-S127 VanDerWaalsContact C-N 3.33Å |
| 126 | D | 58.2 | Low | 66.1 | Low | 132 Ų | 132 | 122.1 Ų | 122.1 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.4 | -14.2 | -178.8 | -63.2 | -35.7 | 0 | 0 | 0 | 113.4 | ||
| 127 | S | 55.3 | Low | 63.5 | Low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -3.9 | 176.6 | 37.8 | 0 | 0 | 0 | 0 | 114.5 | G123 A124 K125 | G123-S127 PolarHBondContact O-OG 3.43Å; A124-S127 PolarHBondContact O-OG 3.29Å; K125-S127 VanDerWaalsContact C-N 3.33Å |
| 128 | K | 51.8 | Low | 60.6 | Low | 193 Ų | 193 | 130.7 Ų | 130.7 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 15.3 | -179.9 | -155.2 | 171.8 | 178.1 | 173.7 | 0 | 114.6 | ||
| 129 | K | 50.9 | Low | 58.3 | Low | 192 Ų | 192 | 133.5 Ų | 133.5 | 84% | 0.835 | 71% | 0.711 | S | S | * | * | trans | -114.7 | 33.3 | 174.1 | -62.9 | -170.1 | -177.5 | -176.2 | 0 | 113.2 | ||||
| 130 | Q | 43.3 | Very low | 55.6 | Low | 184 Ų | 184 | 134.8 Ų | 134.8 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | -89.6 | 104.4 | 158.1 | -79.4 | -158.8 | -21.8 | 0 | 0 | 108.7 | ||||
| 131 | D | 43.9 | Very low | 53.1 | Low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | trans | -58.1 | 128.8 | 160.2 | -149.7 | -11.3 | 0 | 0 | 0 | 108.5 | D133 | D131-D133 PolarHBondContact O-N 3.05Š| ||
| 132 | P | 51.6 | Low | 50.6 | Low | 113 Ų | 113 | 134.6 Ų | 134.6 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -90.4 | 90.1 | 176.4 | 33.4 | -26.9 | 0 | 0 | 0 | 109.3 | ||||
| 133 | D | 47.1 | Very low | 48.6 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -143.7 | 141.7 | 153.3 | -109.9 | -22.9 | 0 | 0 | 0 | 111.4 | D131 | D131-D133 PolarHBondContact O-N 3.05Š| ||
| 134 | E | 41.8 | Very low | 47.5 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | 90.9 | 95.7 | 177.2 | -60 | -77.1 | 141 | 0 | 0 | 117.5 | ||||
| 135 | Q | 49.9 | Very low | 46.5 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -56.6 | 123.9 | 160.3 | -68.8 | 167.7 | -9 | 0 | 0 | 111 | ||||
| 136 | S | 41.9 | Very low | 45.8 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -142.5 | 108.1 | 154.2 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | S138 | S136-S138 PolarHBondContact O-N 3.49Š| ||
| 137 | Y | 41.9 | Very low | 45.1 | Very low | 220 Ų | 220 | 148.2 Ų | 148.2 | 86% | 0.863 | 79% | 0.788 | S | S | * | * | trans | -60.8 | 119.4 | 172.5 | -101.4 | -99.8 | 0 | 0 | 0 | 109.8 | ||||
| 138 | S | 36.6 | Very low | 44.7 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -146.4 | 101.6 | 161 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | S136 | S136-S138 PolarHBondContact O-N 3.49Š| ||
| 139 | N | 46.6 | Very low | 44.5 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | trans | -63.3 | 130.8 | 163.4 | -68.4 | -42.1 | 0 | 0 | 0 | 108.2 | ||||
| 140 | N | 37.8 | Very low | 44.6 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | 169.9 | 124.7 | 127 | -79.7 | -35 | 0 | 0 | 0 | 111.8 | |||||
| 141 | T | 42.6 | Very low | 44.6 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 61.4 | 105 | 132.3 | -46.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 142 | S | 43.5 | Very low | 44.7 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | 168.2 | 139.2 | 102.4 | 37 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 143 | E | 45.1 | Very low | 44.6 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -59.8 | 147.6 | 176.3 | -69.9 | -168.7 | 133.5 | 0 | 0 | 113.3 | H145 | E143-H145 PolarHBondContact O-N 2.89Š| ||
| 144 | P | 45.8 | Very low | 44.3 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -81.6 | 101.3 | 167.5 | 32.8 | -29.5 | 0 | 0 | 0 | 109.8 | I146 | P144-I146 PolarHBondContact O-N 3.12Š| ||
| 145 | H | 40 | Very low | 44.5 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | -60 | 115.6 | 165.3 | -89 | -91.2 | 0 | 0 | 0 | 110.6 | E143 S147 | E143-H145 PolarHBondContact O-N 2.89Å; H145-S147 VanDerWaalsContact C-N 3.33Å; H145-S147 PolarHBondContact O-N 3.35Å | ||
| 146 | I | 46.6 | Very low | 44.5 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | trans | -69.2 | 88.3 | 166.8 | -57.9 | 177.5 | 0 | 0 | 0 | 108.1 | P144 | P144-I146 PolarHBondContact O-N 3.12Š| ||
| 147 | S | 43.9 | Very low | 44.9 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -148.5 | 70.4 | 174.9 | -74.4 | 0 | 0 | 0 | 0 | 111.1 | H145 | H145-S147 VanDerWaalsContact C-N 3.33Å; H145-S147 PolarHBondContact O-N 3.35Å | ||
| 148 | S | 45.5 | Very low | 44.9 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | -155 | 74.1 | 157.3 | -164 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 149 | A | 47.9 | Very low | 45.1 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -121.7 | 8.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 150 | R | 52.3 | Low | 45.2 | Very low | 239 Ų | 239 | 138 Ų | 138 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -120.7 | 6 | -177.6 | -64.1 | -166.8 | -179.8 | -166.2 | 1.8 | 114.5 | ||
| 151 | E | 44.3 | Very low | 45.7 | Very low | 116 Ų | 116 | 136 Ų | 136 | 54% | 0.542 | 75% | 0.754 | S | S | . | * | trans | -115.2 | 19.6 | -176.5 | -124.5 | 177.7 | -178.4 | 0 | 0 | 115.4 | S153 R154 | E151-S153 VanDerWaalsContact C-N 3.28Å; E151-R154 IonicContact OE1-CZ 2.72Å; E151-R154 VanDerWaalsContact OE1-CZ 3.31Å; E151-R154 IonicContact OE1-NH1 3.25Å; E151-R154 PolarHBondContact OE1-NH1 2.68Å; E151-R154 IonicContact OE1-NH2 2.98Å; E151-R154 PolarHBondContact OE1-NH2 3.05Å | ||
| 152 | L | 46.1 | Very low | 45.7 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -91 | 15.4 | 168.8 | -159.1 | 67.2 | 0 | 0 | 0 | 112.9 | N155 | L152-N155 PolarHBondContact O-OD1 2.94Š|
| 153 | S | 49.3 | Very low | 45.8 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -98.6 | -8 | -176.5 | -171.5 | 0 | 0 | 0 | 0 | 114 | E151 | E151-S153 VanDerWaalsContact C-N 3.28Š|
| 154 | R | 41.7 | Very low | 45.6 | Very low | 191 Ų | 191 | 136 Ų | 136 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -105.9 | -9.7 | -176.1 | -73.7 | -168.8 | -121.5 | 101.2 | 1.3 | 115.2 | E151 | E151-R154 IonicContact OE1-CZ 2.72Å; E151-R154 VanDerWaalsContact OE1-CZ 3.31Å; E151-R154 IonicContact OE1-NH1 3.25Å; E151-R154 PolarHBondContact OE1-NH1 2.68Å; E151-R154 IonicContact OE1-NH2 2.98Å; E151-R154 PolarHBondContact OE1-NH2 3.05Å |
| 155 | N | 45.5 | Very low | 45.1 | Very low | 100 Ų | 100 | 133 Ų | 133 | 54% | 0.535 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -93.7 | 8.9 | 178 | 59.7 | -27.8 | 0 | 0 | 0 | 114.1 | L152 T157 | L152-N155 PolarHBondContact O-OD1 2.94Å; N155-T157 PolarHBondContact O-N 3.36Å; N155-T157 VanDerWaalsContact O-N 3.13Å |
| 156 | V | 49.9 | Very low | 45.1 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -7.3 | -175.9 | 172.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 157 | T | 49.5 | Very low | 44.8 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 1.5 | -172.9 | -47.1 | 0 | 0 | 0 | 0 | 114.8 | N155 | N155-T157 PolarHBondContact O-N 3.36Å; N155-T157 VanDerWaalsContact O-N 3.13Å |
| 158 | Q | 43.2 | Very low | 44.9 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -129.5 | 45.9 | -174.3 | -151.7 | 171.2 | 23.1 | 0 | 0 | 115 | ||
| 159 | C | 40.4 | Very low | 44.7 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -137 | 55.6 | 158.7 | -99.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 160 | I | 47.7 | Very low | 44.3 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -118.5 | 76.4 | 160.2 | -56.4 | 175.3 | 0 | 0 | 0 | 105.9 | ||
| 161 | S | 49.2 | Very low | 44 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 166 | 86.1 | 154.5 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 162 | C | 43 | Very low | 43.8 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -128.6 | 94.3 | 156.6 | -74.9 | 0 | 0 | 0 | 0 | 105.7 | F164 | C162-F164 PolarHBondContact O-N 3.48Å; C162-F164 VanDerWaalsContact O-N 3.08Å | ||
| 163 | A | 45 | Very low | 44 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -63.1 | 103.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | G165 | A163-G165 PolarHBondContact O-N 2.8Š| ||
| 164 | F | 40.6 | Very low | 43.7 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -78.6 | 101.4 | 172.7 | -159.3 | -92.9 | 0 | 0 | 0 | 107.7 | C162 L166 | C162-F164 PolarHBondContact O-N 3.48Å; C162-F164 VanDerWaalsContact O-N 3.08Å; F164-L166 PolarHBondContact O-N 2.74Å | ||
| 165 | G | 35 | Very low | 43.8 | Very low | 60 Ų | 60 | 141.2 Ų | 141.2 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | -61 | 115.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | A163 K167 | A163-G165 PolarHBondContact O-N 2.8Å; G165-K167 PolarHBondContact O-N 3.2Å | ||
| 166 | L | 40 | Very low | 43.7 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -62.9 | 100.4 | 167.3 | -74 | 162.9 | 0 | 0 | 0 | 108 | F164 | F164-L166 PolarHBondContact O-N 2.74Š| ||
| 167 | K | 40.9 | Very low | 43.2 | Very low | 192 Ų | 192 | 142 Ų | 142 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -84.6 | 117.9 | 151.9 | 54.8 | -179.1 | 178.3 | -177.4 | 0 | 106.8 | G165 | G165-K167 PolarHBondContact O-N 3.2Š| ||
| 168 | N | 45.2 | Very low | 42.4 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -71.6 | 169.2 | 175 | -59.1 | -46.5 | 0 | 0 | 0 | 110.4 | ||||
| 169 | E | 42.4 | Very low | 42.4 | Very low | 199 Ų | 199 | 136.3 Ų | 136.3 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | 84.1 | 121.9 | 174.9 | -49.3 | -173.1 | 145 | 0 | 0 | 113.3 | ||||
| 170 | E | 40.1 | Very low | 42.3 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | cis | -144.2 | 143.5 | 32.3 | -152.5 | -165 | 177 | 0 | 0 | 111.1 | G172 | E170-G172 PolarHBondContact O-N 3.04Š| ||
| 171 | E | 44.8 | Very low | 42.2 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -80.1 | 109.6 | -177.3 | -163.5 | 177.4 | -163.8 | 0 | 0 | 110.1 | ||||
| 172 | G | 39.3 | Very low | 42.3 | Very low | 56 Ų | 56 | 135.1 Ų | 135.1 | 58% | 0.577 | 80% | 0.8 | S | S | * | * | trans | -81 | 127.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E170 W174 | E170-G172 PolarHBondContact O-N 3.04Å; G172-W174 PolarHBondContact O-N 2.88Å | ||
| 173 | P | 50.7 | Low | 42.3 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -68.8 | 121 | -172 | -9.2 | 19.2 | 0 | 0 | 0 | 112.5 | A175 | P173-A175 PolarHBondContact O-N 2.95Š| ||
| 174 | W | 44.3 | Very low | 42.2 | Very low | 250 Ų | 250 | 138.1 Ų | 138.1 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | trans | -65.8 | 115 | 158.3 | -66.7 | 90 | 0 | 0 | 0 | 107.2 | G172 D176 | G172-W174 PolarHBondContact O-N 2.88Å; W174-D176 PolarHBondContact O-N 2.79Å; W174-D176 VanDerWaalsContact O-N 3.14Å | ||
| 175 | A | 43.3 | Very low | 42.4 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -54.1 | 120.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P173 | P173-A175 PolarHBondContact O-N 2.95Š| ||
| 176 | D | 42.3 | Very low | 42.6 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -55.4 | 141.4 | 161.2 | -179.3 | 22.9 | 0 | 0 | 0 | 110.7 | W174 G178 | W174-D176 PolarHBondContact O-N 2.79Å; W174-D176 VanDerWaalsContact O-N 3.14Å; D176-G178 PolarHBondContact OD1-N 2.91Å | ||
| 177 | G | 39.7 | Very low | 42.6 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -165.5 | 38.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 178 | G | 34.1 | Very low | 42.5 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -85.4 | 106.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D176 | D176-G178 PolarHBondContact OD1-N 2.91Š| ||
| 179 | S | 41.9 | Very low | 42.1 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 121.2 | 160.2 | 73.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 180 | G | 38 | Very low | 42.2 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 164 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 181 | E | 46.4 | Very low | 41.9 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 167.2 | 166.4 | -69.1 | -138.7 | 133.4 | 0 | 0 | 113 | ||
| 182 | P | 51.1 | Low | 41.9 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | -125.4 | 128.7 | 120.8 | 34.1 | -25.7 | 0 | 0 | 0 | 113.4 | |||||
| 183 | V | 43.1 | Very low | 41.9 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 68% | 0.679 | 82% | 0.815 | S | S | * | * | trans | -12.2 | 122.1 | 148.9 | -178 | 0 | 0 | 0 | 0 | 114.8 | T185 | V183-T185 HydrophobicContact CG1-CG2 4.1Š| ||
| 184 | H | 42.9 | Very low | 41.5 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -122.6 | 103.1 | 149.5 | 56.5 | -77.7 | 0 | 0 | 0 | 109.2 | ||||
| 185 | T | 44.2 | Very low | 41.1 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -70.1 | 120.6 | 161.6 | 40 | 0 | 0 | 0 | 0 | 108.2 | V183 | V183-T185 HydrophobicContact CG1-CG2 4.1Š| ||
| 186 | C | 40.5 | Very low | 41.3 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -128.5 | 117.3 | 160.1 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 187 | R | 38.9 | Very low | 41.2 | Very low | 231 Ų | 231 | 134.4 Ų | 134.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -77 | 149.5 | -169.7 | -161.9 | 177.2 | -175 | -98.5 | 5.3 | 110.2 | G189 | R187-G189 PolarHBondContact O-N 3.27Š| ||
| 188 | Q | 40.3 | Very low | 41.3 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -50.7 | 131.5 | 171.5 | -86.3 | 172.4 | 12.8 | 0 | 0 | 112.3 | ||||
| 189 | G | 35 | Very low | 41.8 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | -129.8 | 115.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | R187 | R187-G189 PolarHBondContact O-N 3.27Š| ||
| 190 | V | 44.8 | Very low | 41.8 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -72.6 | 142.8 | 165.6 | -74.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 191 | M | 35.1 | Very low | 42.3 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | 177.7 | 135.8 | 124.3 | -74.4 | -143.2 | 83.7 | 0 | 0 | 109.4 | |||||
| 192 | S | 43.3 | Very low | 41.9 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -69.7 | 149.6 | 172.5 | -53.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 193 | T | 41 | Very low | 41.7 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | 177.6 | 132.8 | 119.5 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 194 | T | 40.6 | Very low | 41.4 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | 29.3 | 116 | 140.8 | -16.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 195 | E | 36.3 | Very low | 41.3 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | -177.1 | 148.8 | 110.3 | -102.8 | -172.5 | 160.1 | 0 | 0 | 113 | |||||
| 196 | V | 47.9 | Very low | 41 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -82.8 | 118.7 | -177.9 | 171.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 197 | I | 40.2 | Very low | 41.2 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -140.2 | 107.7 | 163.6 | -53.1 | 176.7 | 0 | 0 | 0 | 108.4 | ||||
| 198 | S | 42.2 | Very low | 41.3 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77 | 137 | 169.7 | -51 | 0 | 0 | 0 | 0 | 109.9 | ||
| 199 | P | 44.7 | Very low | 41.4 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 117.8 | 166.1 | -14 | 30.9 | 0 | 0 | 0 | 110.9 | ||
| 200 | T | 41.4 | Very low | 41.8 | Very low | 133 Ų | 133 | 152 Ų | 152 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138 | 174.4 | -37.1 | 0 | 0 | 0 | 0 | 111.6 | S202 | T200-S202 PolarHBondContact O-N 3.36Š|
| 201 | R | 48.6 | Very low | 41.8 | Very low | 233 Ų | 233 | 152.8 Ų | 152.8 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -53.2 | 114.2 | 171.2 | -174.2 | -179.7 | -174.5 | 166.8 | 0.2 | 111 | ||||
| 202 | S | 37.7 | Very low | 42.2 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -103.9 | 120.5 | 166.7 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | T200 D204 | T200-S202 PolarHBondContact O-N 3.36Å; S202-D204 PolarHBondContact O-N 2.79Å | ||
| 203 | L | 46.5 | Very low | 42.2 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -76.1 | 108 | 172.2 | -97.5 | 154.5 | 0 | 0 | 0 | 108.4 | ||||
| 204 | D | 37.6 | Very low | 42.3 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 126.6 | 162.3 | -90.1 | -47.1 | 0 | 0 | 0 | 110.6 | S202 | S202-D204 PolarHBondContact O-N 2.79Š|
| 205 | R | 41.5 | Very low | 42.7 | Very low | 236 Ų | 236 | 158.8 Ų | 158.8 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 120.7 | -174.3 | 179.4 | -174.9 | -66.1 | -143.5 | -2.2 | 109.6 | ||
| 206 | F | 36.9 | Very low | 42.9 | Very low | 194 Ų | 194 | 157.9 Ų | 157.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 141.5 | 169.1 | -76 | -86.7 | 0 | 0 | 0 | 110.7 | ||
| 207 | P | 44.6 | Very low | 43.1 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 133.8 | 172 | 30.5 | -29.9 | 0 | 0 | 0 | 110.9 | ||
| 208 | E | 41.7 | Very low | 43.3 | Very low | 186 Ų | 186 | 159 Ų | 159 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 125 | 173.6 | -169 | 163.3 | -172.5 | 0 | 0 | 109.9 | ||
| 209 | V | 42.4 | Very low | 43.8 | Very low | 136 Ų | 136 | 164.4 Ų | 164.4 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | trans | -101.4 | 105.5 | 170.7 | -96.7 | 0 | 0 | 0 | 0 | 108.1 | L211 | V209-L211 PolarHBondContact O-N 3.22Š| ||
| 210 | E | 42.1 | Very low | 43.8 | Very low | 176 Ų | 176 | 166.1 Ų | 166.1 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | trans | -60 | 118.3 | 171.6 | -69.8 | -178.2 | 144.1 | 0 | 0 | 110.4 | L212 | E210-L212 PolarHBondContact O-N 2.99Š| ||
| 211 | L | 44.7 | Very low | 43.9 | Very low | 153 Ų | 153 | 167.8 Ų | 167.8 | 80% | 0.801 | 84% | 0.835 | S | S | * | * | trans | -88.4 | 97.9 | 167.2 | -76 | 173.9 | 0 | 0 | 0 | 109.3 | V209 N213 | V209-L211 PolarHBondContact O-N 3.22Å; L211-N213 PolarHBondContact O-N 3.16Å | ||
| 212 | L | 43.5 | Very low | 43.6 | Very low | 131 Ų | 131 | 164.2 Ų | 164.2 | 69% | 0.686 | 83% | 0.832 | S | S | * | * | trans | -73.6 | 86.4 | 168.9 | -145.3 | 112.6 | 0 | 0 | 0 | 109.2 | E210 | E210-L212 PolarHBondContact O-N 2.99Š| ||
| 213 | N | 43.2 | Very low | 44 | Very low | 144 Ų | 144 | 167.8 Ų | 167.8 | 77% | 0.77 | 84% | 0.839 | S | S | * | * | trans | -86.5 | 111.9 | 171.3 | -83.6 | -47.9 | 0 | 0 | 0 | 110.3 | L211 | L211-N213 PolarHBondContact O-N 3.16Š| ||
| 214 | H | 43.5 | Very low | 43.8 | Very low | 166 Ų | 166 | 168.5 Ų | 168.5 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | trans | -65.7 | 127.2 | 173.5 | -71.3 | -77.1 | 0 | 0 | 0 | 111.7 | ||||
| 215 | R | 48.7 | Very low | 44.2 | Very low | 238 Ų | 238 | 170.1 Ų | 170.1 | 90% | 0.898 | 85% | 0.845 | S | S | * | * | trans | -56.9 | 137.6 | 165.4 | 172.1 | -169.7 | -83.4 | -154.2 | -4.9 | 111.3 | ||||
| 216 | L | 42.4 | Very low | 44.4 | Very low | 162 Ų | 162 | 165.4 Ų | 165.4 | 85% | 0.848 | 84% | 0.842 | S | S | * | * | trans | -162.5 | 162 | 148.6 | -101.6 | 169 | 0 | 0 | 0 | 109.4 | ||||
| 217 | P | 51.5 | Low | 45 | Very low | 109 Ų | 109 | 163.2 Ų | 163.2 | 71% | 0.708 | 84% | 0.841 | S | S | * | * | -109.5 | 163.3 | -123.5 | 34.8 | -18.8 | 0 | 0 | 0 | 113.9 | |||||
| 218 | Q | 44.5 | Very low | 45.1 | Very low | 194 Ų | 194 | 167.1 Ų | 167.1 | 91% | 0.907 | 85% | 0.848 | S | S | * | * | trans | -77.5 | 142.9 | 172.7 | -64.5 | -158 | 43.9 | 0 | 0 | 111.7 | ||||
| 219 | V | 52.3 | Low | 45.4 | Very low | 210 Ų | 210 | 165.4 Ų | 165.4 | 100% | 1.273 | 85% | 0.846 | S | S | * | * | trans | -116.3 | 0 | 157.5 | 176.4 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 219 of 219 residues in 196.5 ms
(Link to these results)