| 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 | C | 31.4 | Very low | 35.2 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 100% | 1.277 | 87% | 0.867 | S | S | * | * | 0 | 132.1 | 0 | -51.6 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 2 | S | 33.1 | Very low | 36.1 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 80% | 0.797 | 86% | 0.863 | S | S | * | * | cis | -142.5 | 122.5 | 8.8 | 37.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | S | 34.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 155.2 Ų | 155.2 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | trans | -89.4 | 119.5 | 166.2 | 51.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | T | 33.7 | Very low | 38.8 | Very low | 142 Ų | 142 | 159.8 Ų | 159.8 | 87% | 0.871 | 86% | 0.861 | S | S | * | * | trans | -175.8 | 130.7 | 162.2 | 29.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 5 | G | 31.5 | Very low | 40.7 | Very low | 69 Ų | 69 | 158.5 Ų | 158.5 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | cis | -176.6 | 81.6 | -4.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | M7 | G5-M7 VanDerWaalsContact C-N 3.3Å; G5-M7 PolarHBondContact O-N 2.96Å | ||
| 6 | A | 32.7 | Very low | 42.8 | Very low | 106 Ų | 106 | 157.3 Ų | 157.3 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | trans | -69.1 | 94.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S8 | A6-S8 PolarHBondContact O-N 2.68Š| ||
| 7 | M | 30.3 | Very low | 45.1 | Very low | 178 Ų | 178 | 154.5 Ų | 154.5 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -63.4 | 94.2 | 159.7 | -81 | -176.5 | 54.7 | 0 | 0 | 106.6 | G5 E9 | G5-M7 VanDerWaalsContact C-N 3.3Å; G5-M7 PolarHBondContact O-N 2.96Å; M7-E9 PolarHBondContact O-N 3.22Å | ||
| 8 | S | 36.2 | Very low | 47.5 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -51.7 | 115 | 154.9 | -177.1 | 0 | 0 | 0 | 0 | 105.5 | A6 R10 | A6-S8 PolarHBondContact O-N 2.68Å; S8-R10 PolarHBondContact O-N 2.91Å; S8-R10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | E | 38.2 | Very low | 49.7 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -48.3 | 127.4 | 160.3 | -67.4 | 178.9 | 142 | 0 | 0 | 105.7 | M7 E11 | M7-E9 PolarHBondContact O-N 3.22Å; E9-E11 PolarHBondContact O-N 3.35Å; E9-E11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | R | 39.4 | Very low | 51.7 | Low | 230 Ų | 230 | 142.9 Ų | 142.9 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | -58.9 | 123.2 | 162 | -83.4 | 176.2 | 166.7 | 175.8 | -2.8 | 103.8 | S8 E12 | S8-R10 PolarHBondContact O-N 2.91Å; S8-R10 VanDerWaalsContact O-N 3.15Å; R10-E12 VanDerWaalsContact C-N 3.25Å; R10-E12 PolarHBondContact O-N 3.19Å | ||
| 11 | E | 46.9 | Very low | 53.5 | Low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -49.4 | 105.8 | 154.8 | -71.2 | 179.7 | 132.1 | 0 | 0 | 105.8 | E9 R13 | E9-E11 PolarHBondContact O-N 3.35Å; E9-E11 VanDerWaalsContact O-N 3.14Å; E11-R13 PolarHBondContact O-N 2.9Å | ||
| 12 | E | 46 | Very low | 56.3 | Low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -54 | 131.2 | 166.8 | -69.8 | -163.8 | 132.7 | 0 | 0 | 105 | R10 R14 | R10-E12 VanDerWaalsContact C-N 3.25Å; R10-E12 PolarHBondContact O-N 3.19Å; E12-R14 PolarHBondContact O-N 3.2Å | ||
| 13 | R | 49.2 | Very low | 59.1 | Low | 229 Ų | 229 | 131 Ų | 131 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | trans | -67.9 | 82.4 | -178.9 | -70.4 | 178.8 | 176.9 | 176.2 | -2.6 | 107.4 | E11 F15 | E11-R13 PolarHBondContact O-N 2.9Å; R13-F15 PolarHBondContact O-N 3.47Å | ||
| 14 | R | 60.3 | Low | 61.8 | Low | 219 Ų | 219 | 128.4 Ų | 128.4 | 83% | 0.826 | 65% | 0.647 | S | S | * | * | trans | -55.8 | 110.1 | -178.7 | -165.4 | 174.3 | -173.9 | -179.8 | 2.4 | 105.3 | E12 V16 | E12-R14 PolarHBondContact O-N 3.2Å; R14-V16 PolarHBondContact O-N 3.43Å | ||
| 15 | F | 67.4 | Low | 64.5 | Low | 140 Ų | 140 | 125.8 Ų | 125.8 | 61% | 0.614 | 63% | 0.627 | S | S | * | * | trans | -61.1 | 140.3 | -178.4 | -64.5 | -81 | 0 | 0 | 0 | 106.8 | R13 E17 | R13-F15 PolarHBondContact O-N 3.47Å; F15-E17 PolarHBondContact O-N 2.98Å | ||
| 16 | V | 73.8 | Confident | 67.3 | Low | 140 Ų | 140 | 128.8 Ų | 128.8 | 85% | 0.848 | 62% | 0.624 | S | S | * | * | trans | -62.6 | 114.2 | 172.2 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | R14 | R14-V16 PolarHBondContact O-N 3.43Š| ||
| 17 | E | 82.5 | Confident | 70.2 | Confident | 109 Ų | 109 | 124.3 Ų | 124.3 | 51% | 0.509 | 59% | 0.587 | S | S | . | * | trans | -105.5 | 136.8 | 176.5 | -77.7 | 157.3 | -168.4 | 0 | 0 | 107.4 | F15 | F15-E17 PolarHBondContact O-N 2.98Š| ||
| 18 | I | 87.9 | Confident | 73.2 | Confident | 51 Ų | 51 | 120.7 Ų | 120.7 | 26% | 0.262 | 57% | 0.568 | S | S | . | * | trans | -68.6 | 129.1 | 172.4 | -71.3 | 168.1 | 0 | 0 | 0 | 106.7 | R20 V23 V46 C47 L50 | I18-R20 PolarHBondContact O-N 3.01Å; I18-V23 HydrophobicContact CG2-CG2 4.11Å; I18-V46 HydrophobicContact CD1-CB 4.44Å; I18-V46 HydrophobicContact CD1-CG1 3.62Å; I18-C47 PolarHBondContact N-SG 2.8Å; I18-L50 HydrophobicContact CD1-CD1 3.49Å; I18-L50 VanDerWaalsContact CD1-CD1 3.49Å | ||
| 19 | P | 89.3 | Confident | 75.8 | Confident | 69 Ų | 69 | 119.8 Ų | 119.8 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | trans | -66 | 137.8 | 178.5 | 27.6 | -33.4 | 0 | 0 | 0 | 109.8 | E21 S22 | P19-E21 PolarHBondContact O-N 3.38Å; P19-S22 WeakPolarHBondContact CG-OG 3.23Å; P19-S22 PolarHBondContact O-N 3.25Å | ||
| 20 | R | 90.2 | Very high | 78.4 | Confident | 111 Ų | 111 | 116.2 Ų | 116.2 | 42% | 0.419 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -50.4 | -29.6 | 174.5 | 61.1 | -176.8 | 174 | -172.9 | -7.2 | 113.2 | I18 V23 R24 D36 A39 | I18-R20 PolarHBondContact O-N 3.01Å; R20-V23 PolarHBondContact O-N 2.94Å; R20-R24 PolarHBondContact O-N 3.44Å; R20-D36 IonicContact CZ-OD1 3.52Å; R20-D36 IonicContact CZ-OD2 2.69Å; R20-D36 IonicContact NE-OD1 3.88Å; R20-D36 IonicContact NH1-OD1 2.8Å; R20-D36 PolarHBondContact NH1-OD1 3.44Å; R20-D36 IonicContact NH1-OD2 2.72Å; R20-D36 PolarHBondContact NH1-OD2 3.31Å; R20-A39 HydrophobicContact CB-CB 4.24Å |
| 21 | E | 89.6 | Confident | 80.9 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.4 | -72.8 | 152 | -145.7 | 0 | 0 | 112.5 | P19 V23 R24 L25 | P19-E21 PolarHBondContact O-N 3.38Å; E21-V23 VanDerWaalsContact C-N 3.29Å; E21-V23 PolarHBondContact O-N 3.11Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-L25 WeakPolarHBondContact O-CB 3.38Å; E21-L25 VanDerWaalsContact O-CG 3.32Å; E21-L25 WeakPolarHBondContact O-CG 3.43Å; E21-L25 PolarHBondContact O-N 3.34Å |
| 22 | S | 90.1 | Very high | 83.1 | Confident | 59 Ų | 59 | 104.7 Ų | 104.7 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -31.7 | 173.7 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | P19 M26 | P19-S22 WeakPolarHBondContact CG-OG 3.23Å; P19-S22 PolarHBondContact O-N 3.25Å; S22-M26 WeakPolarHBondContact O-CB 3.43Å; S22-M26 PolarHBondContact O-N 2.67Å; S22-M26 VanDerWaalsContact O-N 3.14Å |
| 23 | V | 91.8 | Very high | 85.4 | Confident | 21 Ų | 21 | 105.3 Ų | 105.3 | 13% | 0.127 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -71.9 | -39.8 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | I18 R20 E21 M26 A27 L34 L42 A43 | I18-V23 HydrophobicContact CG2-CG2 4.11Å; R20-V23 PolarHBondContact O-N 2.94Å; E21-V23 VanDerWaalsContact C-N 3.29Å; E21-V23 PolarHBondContact O-N 3.11Å; V23-M26 PolarHBondContact O-N 2.98Å; V23-A27 PolarHBondContact O-N 3.22Å; V23-A27 VanDerWaalsContact O-N 3.1Å; V23-L34 HydrophobicContact CG1-CD1 4.27Å; V23-L42 HydrophobicContact CG1-CB 3.86Å; V23-L42 HydrophobicContact CG1-CD1 4.3Å; V23-A43 HydrophobicContact CG2-CB 3.9Å |
| 24 | R | 91.6 | Very high | 87.4 | Confident | 63 Ų | 63 | 96.5 Ų | 96.5 | 24% | 0.238 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -60.7 | -53.2 | 171.7 | -78.6 | -171.6 | 170.4 | 124.8 | -3.3 | 112.4 | R20 E21 M26 A27 E28 L34 D36 A39 | R20-R24 PolarHBondContact O-N 3.44Å; E21-R24 PolarHBondContact O-N 3.4Å; R24-M26 PolarHBondContact O-N 2.81Å; R24-A27 CarbonylContact O-C 3.58Å; R24-A27 WeakPolarHBondContact O-CA 3.43Å; R24-A27 WeakPolarHBondContact O-CB 3.44Å; R24-A27 PolarHBondContact O-N 2.93Å; R24-E28 WeakPolarHBondContact O-CG 3.26Å; R24-E28 PolarHBondContact O-N 3.36Å; R24-L34 HydrophobicContact CG-CB 4.49Å; R24-L34 PolarHBondContact NE-O 3.45Å; R24-D36 IonicContact CZ-OD1 3.06Å; R24-D36 VanDerWaalsContact CZ-OD1 3.23Å; R24-D36 IonicContact NH1-OD1 3.88Å; R24-D36 PolarHBondContact NH1-OD1 3.46Å; R24-D36 IonicContact NH2-OD1 3.2Å; R24-D36 PolarHBondContact NH2-OD1 3Å; R24-A39 HydrophobicContact CG-CB 3.97Å |
| 25 | L | 89.7 | Confident | 89 | Confident | 87 Ų | 87 | 89.3 Ų | 89.3 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.9 | -36.6 | 179.2 | -71.3 | 168.6 | 0 | 0 | 0 | 112 | E21 S29 L105 | E21-L25 WeakPolarHBondContact O-CB 3.38Å; E21-L25 VanDerWaalsContact O-CG 3.32Å; E21-L25 WeakPolarHBondContact O-CG 3.43Å; E21-L25 PolarHBondContact O-N 3.34Å; L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.44Å; L25-L105 HydrophobicContact CD1-CD2 4.33Å |
| 26 | M | 90.7 | Very high | 90.2 | Very high | 131 Ų | 131 | 85.6 Ų | 85.6 | 65% | 0.645 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 173.9 | -168.2 | 64.4 | 63.4 | 0 | 0 | 112 | S22 V23 R24 S29 T30 | S22-M26 WeakPolarHBondContact O-CB 3.43Å; S22-M26 PolarHBondContact O-N 2.67Å; S22-M26 VanDerWaalsContact O-N 3.14Å; V23-M26 PolarHBondContact O-N 2.98Å; R24-M26 PolarHBondContact O-N 2.81Å; M26-S29 PolarHBondContact O-N 3.49Å; M26-S29 PolarHBondContact O-OG 3.47Å; M26-T30 PolarHBondContact O-N 3.17Å |
| 27 | A | 93.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 86.3 Ų | 86.3 | 10% | 0.099 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V23 R24 S29 T30 G31 L32 L34 | V23-A27 PolarHBondContact O-N 3.22Å; V23-A27 VanDerWaalsContact O-N 3.1Å; R24-A27 CarbonylContact O-C 3.58Å; R24-A27 WeakPolarHBondContact O-CA 3.43Å; R24-A27 WeakPolarHBondContact O-CB 3.44Å; R24-A27 PolarHBondContact O-N 2.93Å; A27-S29 VanDerWaalsContact C-N 3.27Å; A27-S29 PolarHBondContact O-N 3.2Å; A27-T30 CarbonylContact O-C 3.41Å; A27-T30 WeakPolarHBondContact O-CA 3.48Å; A27-T30 PolarHBondContact O-N 3.14Å; A27-T30 PolarHBondContact O-OG1 3.47Å; A27-G31 PolarHBondContact O-N 3.05Å; A27-L32 CarbonylContact C-O 3.46Å; A27-L32 HydrophobicContact CB-CB 4.3Å; A27-L32 WeakPolarHBondContact CB-O 3.43Å; A27-L32 PolarHBondContact O-N 2.9Å; A27-L34 HydrophobicContact CB-CD1 3.46Å; A27-L34 VanDerWaalsContact CB-CD1 3.46Å; A27-L34 HydrophobicContact CB-CG 3.62Å |
| 28 | E | 92.4 | Very high | 91.6 | Very high | 102 Ų | 102 | 84.2 Ų | 84.2 | 48% | 0.477 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.4 | -38.1 | 175 | -71.7 | 164.3 | -154.4 | 0 | 0 | 111.1 | R24 T30 G31 L32 | R24-E28 WeakPolarHBondContact O-CG 3.26Å; R24-E28 PolarHBondContact O-N 3.36Å; E28-T30 PolarHBondContact O-N 3Å; E28-G31 PolarHBondContact O-N 3.29Å; E28-L32 PolarHBondContact N-O 3.41Å |
| 29 | S | 91.1 | Very high | 91.9 | Very high | 91 Ų | 91 | 81.8 Ų | 81.8 | 64% | 0.636 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.3 | -22.8 | 173.4 | 83.9 | 0 | 0 | 0 | 0 | 114 | L25 M26 A27 | L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.44Å; M26-S29 PolarHBondContact O-N 3.49Å; M26-S29 PolarHBondContact O-OG 3.47Å; A27-S29 VanDerWaalsContact C-N 3.27Å; A27-S29 PolarHBondContact O-N 3.2Å |
| 30 | T | 93.4 | Very high | 91.9 | Very high | 97 Ų | 97 | 80.3 Ų | 80.3 | 60% | 0.595 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 3.5 | 172.3 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | M26 A27 E28 | M26-T30 PolarHBondContact O-N 3.17Å; A27-T30 CarbonylContact O-C 3.41Å; A27-T30 WeakPolarHBondContact O-CA 3.48Å; A27-T30 PolarHBondContact O-N 3.14Å; A27-T30 PolarHBondContact O-OG1 3.47Å; E28-T30 PolarHBondContact O-N 3Å |
| 31 | G | 92.6 | Very high | 92 | Very high | 70 Ų | 70 | 80.7 Ų | 80.7 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 24.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A27 E28 | A27-G31 PolarHBondContact O-N 3.05Å; E28-G31 PolarHBondContact O-N 3.29Å |
| 32 | L | 93.3 | Very high | 92.2 | Very high | 105 Ų | 105 | 78.8 Ų | 78.8 | 55% | 0.55 | 44% | 0.444 | S | S | . | . | trans | -119.9 | 130.7 | -177.3 | -62.8 | 176.3 | 0 | 0 | 0 | 112 | A27 E28 | A27-L32 CarbonylContact C-O 3.46Å; A27-L32 HydrophobicContact CB-CB 4.3Å; A27-L32 WeakPolarHBondContact CB-O 3.43Å; A27-L32 PolarHBondContact O-N 2.9Å; E28-L32 PolarHBondContact N-O 3.41Å | ||
| 33 | E | 92.5 | Very high | 92.3 | Very high | 188 Ų | 188 | 76.4 Ų | 76.4 | 88% | 0.879 | 43% | 0.428 | S | S | * | . | trans | -91.8 | 135.6 | 171.7 | -65.2 | -178.4 | 175.8 | 0 | 0 | 110.9 | ||||
| 34 | L | 92.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 81.5 Ų | 81.5 | 24% | 0.236 | 45% | 0.451 | C | S | . | . | trans | -118 | 133 | 179.9 | -65.9 | -179.1 | 0 | 0 | 0 | 112.7 | V23 R24 A27 V38 A39 L42 | V23-L34 HydrophobicContact CG1-CD1 4.27Å; R24-L34 HydrophobicContact CG-CB 4.49Å; R24-L34 PolarHBondContact NE-O 3.45Å; A27-L34 HydrophobicContact CB-CD1 3.46Å; A27-L34 VanDerWaalsContact CB-CD1 3.46Å; A27-L34 HydrophobicContact CB-CG 3.62Å; L34-V38 HydrophobicContact CD2-CG1 4.08Å; L34-A39 HydrophobicContact CB-CB 4.43Å; L34-L42 HydrophobicContact CD1-CD1 4.01Å | ||
| 35 | S | 94.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 82.3 Ų | 82.3 | 47% | 0.469 | 46% | 0.46 | S | S | . | . | trans | -64.5 | 157 | 168.9 | 71.2 | 0 | 0 | 0 | 0 | 111.6 | E37 V38 A39 | S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 3.37Å; S35-V38 PolarHBondContact O-N 3.24Å; S35-V38 WeakPolarHBondContact OG-CG2 3.41Å; S35-A39 WeakPolarHBondContact O-CB 3.45Å; S35-A39 PolarHBondContact O-N 3.37Å | ||
| 36 | D | 91.1 | Very high | 92.4 | Very high | 62 Ų | 62 | 81.2 Ų | 81.2 | 33% | 0.332 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | -176.6 | -154 | 68.8 | 0 | 0 | 0 | 112.8 | R20 R24 A39 A40 | R20-D36 IonicContact CZ-OD1 3.52Å; R20-D36 IonicContact CZ-OD2 2.69Å; R20-D36 IonicContact NE-OD1 3.88Å; R20-D36 IonicContact NH1-OD1 2.8Å; R20-D36 PolarHBondContact NH1-OD1 3.44Å; R20-D36 IonicContact NH1-OD2 2.72Å; R20-D36 PolarHBondContact NH1-OD2 3.31Å; R24-D36 IonicContact CZ-OD1 3.06Å; R24-D36 VanDerWaalsContact CZ-OD1 3.23Å; R24-D36 IonicContact NH1-OD1 3.88Å; R24-D36 PolarHBondContact NH1-OD1 3.46Å; R24-D36 IonicContact NH2-OD1 3.2Å; R24-D36 PolarHBondContact NH2-OD1 3Å; D36-A39 PolarHBondContact O-N 2.91Å; D36-A40 WeakPolarHBondContact O-CB 3.33Å; D36-A40 PolarHBondContact O-N 2.98Å |
| 37 | E | 93.4 | Very high | 92.5 | Very high | 155 Ų | 155 | 75.2 Ų | 75.2 | 72% | 0.724 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 178.8 | -59.8 | 177.8 | 174.4 | 0 | 0 | 111.8 | S35 A40 L41 | S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 3.37Å; E37-A40 PolarHBondContact O-N 2.97Å; E37-L41 WeakPolarHBondContact O-CG 3.37Å; E37-L41 PolarHBondContact O-N 2.94Å; E37-L41 VanDerWaalsContact O-N 3.1Å |
| 38 | V | 93.6 | Very high | 92.4 | Very high | 65 Ų | 65 | 81 Ų | 81 | 39% | 0.394 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.6 | -41.3 | 179.2 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L34 S35 A40 L41 L42 | L34-V38 HydrophobicContact CD2-CG1 4.08Å; S35-V38 PolarHBondContact O-N 3.24Å; S35-V38 WeakPolarHBondContact OG-CG2 3.41Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.1Å; V38-L41 PolarHBondContact O-N 3.47Å; V38-L42 HydrophobicContact CG1-CD1 3.85Å; V38-L42 HydrophobicContact CG1-CG 4.4Å; V38-L42 WeakPolarHBondContact O-CB 3.44Å; V38-L42 WeakPolarHBondContact O-CG 3.28Å; V38-L42 PolarHBondContact O-N 2.75Å |
| 39 | A | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R20 R24 L34 S35 D36 A43 | R20-A39 HydrophobicContact CB-CB 4.24Å; R24-A39 HydrophobicContact CG-CB 3.97Å; L34-A39 HydrophobicContact CB-CB 4.43Å; S35-A39 WeakPolarHBondContact O-CB 3.45Å; S35-A39 PolarHBondContact O-N 3.37Å; D36-A39 PolarHBondContact O-N 2.91Å; A39-A43 WeakPolarHBondContact O-CB 3.32Å; A39-A43 PolarHBondContact O-N 2.91Å |
| 40 | A | 90.5 | Very high | 92.3 | Very high | 38 Ų | 38 | 81.9 Ų | 81.9 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.7 | -49.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D36 E37 V38 L42 A43 E44 | D36-A40 WeakPolarHBondContact O-CB 3.33Å; D36-A40 PolarHBondContact O-N 2.98Å; E37-A40 PolarHBondContact O-N 2.97Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.1Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 3.29Å; A40-A43 WeakPolarHBondContact O-CB 3.39Å; A40-A43 PolarHBondContact O-N 3.29Å; A40-E44 PolarHBondContact O-N 3.23Å; A40-E44 VanDerWaalsContact O-N 3.07Å |
| 41 | L | 92.6 | Very high | 92.2 | Very high | 119 Ų | 119 | 82 Ų | 82 | 62% | 0.623 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | 178.8 | -69.8 | 172 | 0 | 0 | 0 | 112.5 | E37 V38 E44 D45 | E37-L41 WeakPolarHBondContact O-CG 3.37Å; E37-L41 PolarHBondContact O-N 2.94Å; E37-L41 VanDerWaalsContact O-N 3.1Å; V38-L41 PolarHBondContact O-N 3.47Å; L41-E44 PolarHBondContact O-N 2.93Å; L41-D45 PolarHBondContact O-N 2.88Å |
| 42 | L | 93.4 | Very high | 92.2 | Very high | 77 Ų | 77 | 81.7 Ų | 81.7 | 40% | 0.403 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 174.4 | -74.9 | 171.1 | 0 | 0 | 0 | 112 | V23 L34 V38 A40 E44 D45 V46 | V23-L42 HydrophobicContact CG1-CB 3.86Å; V23-L42 HydrophobicContact CG1-CD1 4.3Å; L34-L42 HydrophobicContact CD1-CD1 4.01Å; V38-L42 HydrophobicContact CG1-CD1 3.85Å; V38-L42 HydrophobicContact CG1-CG 4.4Å; V38-L42 WeakPolarHBondContact O-CB 3.44Å; V38-L42 WeakPolarHBondContact O-CG 3.28Å; V38-L42 PolarHBondContact O-N 2.75Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 3.29Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.09Å; L42-D45 PolarHBondContact O-N 2.96Å; L42-V46 VanDerWaalsContact O-CG2 3.29Å; L42-V46 WeakPolarHBondContact O-CG2 3.35Å; L42-V46 PolarHBondContact O-N 3.14Å |
| 43 | A | 91.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 77 Ų | 77 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V23 A39 A40 C47 | V23-A43 HydrophobicContact CG2-CB 3.9Å; A39-A43 WeakPolarHBondContact O-CB 3.32Å; A39-A43 PolarHBondContact O-N 2.91Å; A40-A43 WeakPolarHBondContact O-CB 3.39Å; A40-A43 PolarHBondContact O-N 3.29Å; A43-C47 WeakPolarHBondContact O-CB 3.5Å; A43-C47 PolarHBondContact O-N 2.96Å; A43-C47 PolarHBondContact O-SG 3.4Å |
| 44 | E | 90.8 | Very high | 92.3 | Very high | 128 Ų | 128 | 71.6 Ų | 71.6 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 176.3 | -72.8 | -173.4 | -170 | 0 | 0 | 113.1 | A40 L41 L42 C47 Y48 | A40-E44 PolarHBondContact O-N 3.23Å; A40-E44 VanDerWaalsContact O-N 3.07Å; L41-E44 PolarHBondContact O-N 2.93Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.09Å; E44-C47 WeakPolarHBondContact O-CB 3.48Å; E44-C47 PolarHBondContact O-N 2.71Å; E44-Y48 PolarHBondContact O-N 3.15Å |
| 45 | D | 92.5 | Very high | 92.4 | Very high | 81 Ų | 81 | 74.5 Ų | 74.5 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.3 | -44 | 178.8 | -172.5 | 54.8 | 0 | 0 | 0 | 111.6 | L41 L42 C47 Y48 R49 | L41-D45 PolarHBondContact O-N 2.88Å; L42-D45 PolarHBondContact O-N 2.96Å; D45-C47 VanDerWaalsContact C-N 3.27Å; D45-C47 PolarHBondContact O-N 2.82Å; D45-Y48 WeakPolarHBondContact O-CA 3.44Å; D45-Y48 WeakPolarHBondContact O-CB 3.41Å; D45-Y48 PolarHBondContact O-N 2.88Å; D45-R49 WeakPolarHBondContact O-CG 3.36Å; D45-R49 PolarHBondContact O-N 2.98Å; D45-R49 IonicContact OD1-NE 2.91Å |
| 46 | V | 92.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 73.4 Ų | 73.4 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.1 | -41 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | I18 L42 R49 L50 | I18-V46 HydrophobicContact CD1-CB 4.44Å; I18-V46 HydrophobicContact CD1-CG1 3.62Å; L42-V46 VanDerWaalsContact O-CG2 3.29Å; L42-V46 WeakPolarHBondContact O-CG2 3.35Å; L42-V46 PolarHBondContact O-N 3.14Å; V46-R49 PolarHBondContact O-N 2.75Å; V46-L50 HydrophobicContact CG1-CD1 4.11Å; V46-L50 WeakPolarHBondContact O-CG 3.3Å; V46-L50 PolarHBondContact O-N 2.74Å |
| 47 | C | 90.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 174.1 | -69.4 | 0 | 0 | 0 | 0 | 112.7 | I18 A43 E44 D45 R51 | I18-C47 PolarHBondContact N-SG 2.8Å; A43-C47 WeakPolarHBondContact O-CB 3.5Å; A43-C47 PolarHBondContact O-N 2.96Å; A43-C47 PolarHBondContact O-SG 3.4Å; E44-C47 WeakPolarHBondContact O-CB 3.48Å; E44-C47 PolarHBondContact O-N 2.71Å; D45-C47 VanDerWaalsContact C-N 3.27Å; D45-C47 PolarHBondContact O-N 2.82Å; C47-R51 WeakPolarHBondContact O-CB 3.25Å; C47-R51 VanDerWaalsContact O-CG 3.26Å; C47-R51 WeakPolarHBondContact O-CG 3.35Å; C47-R51 PolarHBondContact O-N 2.97Å; C47-R51 PolarHBondContact O-NE 2.95Å; C47-R51 VanDerWaalsContact O-NE 3.13Å |
| 48 | Y | 91.2 | Very high | 92.8 | Very high | 133 Ų | 133 | 64.2 Ų | 64.2 | 52% | 0.522 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 173.1 | 177.2 | -95.8 | 0 | 0 | 0 | 111.5 | E44 D45 L50 R51 E52 | E44-Y48 PolarHBondContact O-N 3.15Å; D45-Y48 WeakPolarHBondContact O-CA 3.44Å; D45-Y48 WeakPolarHBondContact O-CB 3.41Å; D45-Y48 PolarHBondContact O-N 2.88Å; Y48-L50 PolarHBondContact O-N 3.26Å; Y48-R51 PolarHBondContact O-N 3.09Å; Y48-E52 PolarHBondContact O-N 3.27Å |
| 49 | R | 91.3 | Very high | 92.8 | Very high | 133 Ų | 133 | 64.7 Ų | 64.7 | 50% | 0.502 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 178.4 | -65 | -53.6 | -174.7 | 164.7 | 9 | 113.3 | D45 V46 E52 A53 | D45-R49 WeakPolarHBondContact O-CG 3.36Å; D45-R49 PolarHBondContact O-N 2.98Å; D45-R49 IonicContact OD1-NE 2.91Å; V46-R49 PolarHBondContact O-N 2.75Å; R49-E52 IonicContact NH1-OE2 3.23Å; R49-E52 PolarHBondContact NH1-OE2 3.43Å; R49-E52 PolarHBondContact O-N 3.24Å; R49-A53 WeakPolarHBondContact O-CB 3.42Å; R49-A53 PolarHBondContact O-N 3.06Å |
| 50 | L | 91.2 | Very high | 93 | Very high | 79 Ų | 79 | 67.3 Ų | 67.3 | 41% | 0.414 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 175.4 | -73.6 | 171.4 | 0 | 0 | 0 | 112.2 | I18 V46 Y48 A53 T54 | I18-L50 HydrophobicContact CD1-CD1 3.49Å; I18-L50 VanDerWaalsContact CD1-CD1 3.49Å; V46-L50 HydrophobicContact CG1-CD1 4.11Å; V46-L50 WeakPolarHBondContact O-CG 3.3Å; V46-L50 PolarHBondContact O-N 2.74Å; Y48-L50 PolarHBondContact O-N 3.26Å; L50-A53 PolarHBondContact O-N 3.31Å; L50-T54 VanDerWaalsContact O-CB 3.25Å; L50-T54 WeakPolarHBondContact O-CB 3.39Å; L50-T54 PolarHBondContact O-N 2.87Å; L50-T54 PolarHBondContact O-OG1 3.23Å |
| 51 | R | 91.4 | Very high | 93.3 | Very high | 98 Ų | 98 | 66.6 Ų | 66.6 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 173.8 | -73 | 179.9 | -75.9 | -125.1 | 13.9 | 111.4 | C47 Y48 Q55 | C47-R51 WeakPolarHBondContact O-CB 3.25Å; C47-R51 VanDerWaalsContact O-CG 3.26Å; C47-R51 WeakPolarHBondContact O-CG 3.35Å; C47-R51 PolarHBondContact O-N 2.97Å; C47-R51 PolarHBondContact O-NE 2.95Å; C47-R51 VanDerWaalsContact O-NE 3.13Å; Y48-R51 PolarHBondContact O-N 3.09Å; R51-Q55 VanDerWaalsContact O-CB 3.31Å; R51-Q55 WeakPolarHBondContact O-CB 3.4Å; R51-Q55 PolarHBondContact O-N 2.96Å |
| 52 | E | 92.4 | Very high | 93.4 | Very high | 65 Ų | 65 | 66.1 Ų | 66.1 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -51.6 | 173.4 | 179.6 | 173.7 | -143.2 | 0 | 0 | 111.9 | Y48 R49 T54 Q55 N56 | Y48-E52 PolarHBondContact O-N 3.27Å; R49-E52 IonicContact NH1-OE2 3.23Å; R49-E52 PolarHBondContact NH1-OE2 3.43Å; R49-E52 PolarHBondContact O-N 3.24Å; E52-T54 PolarHBondContact O-N 3.24Å; E52-Q55 PolarHBondContact O-N 3.04Å; E52-N56 WeakPolarHBondContact O-CB 3.37Å; E52-N56 VanDerWaalsContact O-CG 3.32Å; E52-N56 PolarHBondContact O-N 3.5Å; E52-N56 PolarHBondContact O-ND2 3.33Å |
| 53 | A | 93.5 | Very high | 93.4 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | R49 L50 N56 S57 F74 | R49-A53 WeakPolarHBondContact O-CB 3.42Å; R49-A53 PolarHBondContact O-N 3.06Å; L50-A53 PolarHBondContact O-N 3.31Å; A53-N56 PolarHBondContact O-N 3.44Å; A53-S57 WeakPolarHBondContact O-CB 3.35Å; A53-S57 PolarHBondContact O-N 2.81Å; A53-S57 PolarHBondContact O-OG 3.46Å; A53-F74 HydrophobicContact CB-CE1 4.45Å; A53-F74 HydrophobicContact CB-CE2 4.03Å; A53-F74 HydrophobicContact CB-CZ 3.74Å |
| 54 | T | 93.6 | Very high | 93.5 | Very high | 74 Ų | 74 | 72 Ų | 72 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.6 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | L50 E52 S57 S58 | L50-T54 VanDerWaalsContact O-CB 3.25Å; L50-T54 WeakPolarHBondContact O-CB 3.39Å; L50-T54 PolarHBondContact O-N 2.87Å; L50-T54 PolarHBondContact O-OG1 3.23Å; E52-T54 PolarHBondContact O-N 3.24Å; T54-S57 WeakPolarHBondContact CA-OG 3.45Å; T54-S57 PolarHBondContact O-OG 2.91Å; T54-S58 WeakPolarHBondContact O-CB 3.29Å; T54-S58 PolarHBondContact O-N 2.94Å |
| 55 | Q | 94.4 | Very high | 93.6 | Very high | 106 Ų | 106 | 74.8 Ų | 74.8 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 176.3 | 176.7 | 64 | -10.3 | 0 | 0 | 111.6 | R51 E52 S58 Q59 | R51-Q55 VanDerWaalsContact O-CB 3.31Å; R51-Q55 WeakPolarHBondContact O-CB 3.4Å; R51-Q55 PolarHBondContact O-N 2.96Å; E52-Q55 PolarHBondContact O-N 3.04Å; Q55-S58 WeakPolarHBondContact O-CB 3.46Å; Q55-S58 PolarHBondContact O-N 2.99Å; Q55-Q59 PolarHBondContact O-N 3.03Å |
| 56 | N | 95.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 74.8 Ų | 74.8 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 178.7 | -72.2 | -20.2 | 0 | 0 | 0 | 112.1 | E52 A53 S58 Q59 F60 A77 | E52-N56 WeakPolarHBondContact O-CB 3.37Å; E52-N56 VanDerWaalsContact O-CG 3.32Å; E52-N56 PolarHBondContact O-N 3.5Å; E52-N56 PolarHBondContact O-ND2 3.33Å; A53-N56 PolarHBondContact O-N 3.44Å; N56-S58 VanDerWaalsContact C-N 3.32Å; N56-S58 PolarHBondContact O-N 2.86Å; N56-Q59 WeakPolarHBondContact O-CB 3.35Å; N56-Q59 PolarHBondContact O-N 3.31Å; N56-F60 VanDerWaalsContact O-CD2 3.28Å; N56-F60 WeakPolarHBondContact O-CD2 3.42Å; N56-F60 PolarHBondContact O-N 3.22Å; N56-A77 HydrophobicContact CB-CB 3.86Å |
| 57 | S | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -34.5 | 174.7 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | A53 T54 Q59 F60 M61 D73 | A53-S57 WeakPolarHBondContact O-CB 3.35Å; A53-S57 PolarHBondContact O-N 2.81Å; A53-S57 PolarHBondContact O-OG 3.46Å; T54-S57 WeakPolarHBondContact CA-OG 3.45Å; T54-S57 PolarHBondContact O-OG 2.91Å; S57-Q59 PolarHBondContact O-N 3.37Å; S57-F60 PolarHBondContact O-N 3.43Å; S57-M61 PolarHBondContact O-N 2.99Å; S57-D73 WeakPolarHBondContact CB-O 3.1Å |
| 58 | S | 96.1 | Very high | 93.8 | Very high | 23 Ų | 23 | 91.5 Ų | 91.5 | 16% | 0.161 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.3 | -33.8 | 169.6 | -166.1 | 0 | 0 | 0 | 0 | 112.8 | T54 Q55 N56 K62 | T54-S58 WeakPolarHBondContact O-CB 3.29Å; T54-S58 PolarHBondContact O-N 2.94Å; Q55-S58 WeakPolarHBondContact O-CB 3.46Å; Q55-S58 PolarHBondContact O-N 2.99Å; N56-S58 VanDerWaalsContact C-N 3.32Å; N56-S58 PolarHBondContact O-N 2.86Å; S58-K62 WeakPolarHBondContact O-CB 3.46Å; S58-K62 WeakPolarHBondContact O-CD 3.4Å; S58-K62 VanDerWaalsContact O-CG 3.24Å; S58-K62 WeakPolarHBondContact O-CG 3.15Å; S58-K62 PolarHBondContact O-N 3.1Å; S58-K62 VanDerWaalsContact O-N 3.09Å; S58-K62 WeakPolarHBondContact OG-CE 3.4Å; S58-K62 PolarHBondContact OG-NZ 2.82Å |
| 59 | Q | 95.3 | Very high | 93.8 | Very high | 76 Ų | 76 | 89.1 Ų | 89.1 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.6 | -45.8 | 174.4 | -55.5 | -59.6 | -13.5 | 0 | 0 | 111.6 | Q55 N56 S57 M61 K62 H63 | Q55-Q59 PolarHBondContact O-N 3.03Å; N56-Q59 WeakPolarHBondContact O-CB 3.35Å; N56-Q59 PolarHBondContact O-N 3.31Å; S57-Q59 PolarHBondContact O-N 3.37Å; Q59-M61 VanDerWaalsContact C-N 3.31Å; Q59-M61 PolarHBondContact O-N 3.01Å; Q59-K62 PolarHBondContact O-N 3.48Å; Q59-K62 VanDerWaalsContact O-N 3.15Å; Q59-H63 WeakPolarHBondContact O-CB 3.47Å; Q59-H63 PolarHBondContact O-CD2 3.15Å; Q59-H63 PolarHBondContact O-N 2.68Å |
| 60 | F | 95.6 | Very high | 93.9 | Very high | 55 Ų | 55 | 84.9 Ų | 84.9 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 176 | -70.4 | -68.9 | 0 | 0 | 0 | 112.3 | N56 S57 H63 T64 D73 R76 A77 W80 | N56-F60 VanDerWaalsContact O-CD2 3.28Å; N56-F60 WeakPolarHBondContact O-CD2 3.42Å; N56-F60 PolarHBondContact O-N 3.22Å; S57-F60 PolarHBondContact O-N 3.43Å; F60-H63 PolarHBondContact O-N 3.45Å; F60-T64 WeakPolarHBondContact O-CG2 3.37Å; F60-T64 PolarHBondContact O-N 3.07Å; F60-T64 PolarHBondContact O-OG1 3.07Å; F60-D73 HydrophobicContact CB-CB 4.23Å; F60-R76 HydrophobicContact CD1-CB 4.29Å; F60-R76 HydrophobicContact CD2-CB 4.06Å; F60-R76 HydrophobicContact CE1-CB 4.4Å; F60-R76 HydrophobicContact CE2-CB 4.2Å; F60-R76 HydrophobicContact CG-CB 4.12Å; F60-R76 HydrophobicContact CZ-CB 4.36Å; F60-A77 HydrophobicContact CD2-CB 4.27Å; F60-A77 HydrophobicContact CE2-CB 4.22Å; F60-W80 HydrophobicContact CE2-CB 4.46Å; F60-W80 HydrophobicContact CZ-CB 4.36Å; F60-W80 HydrophobicContact CZ-CD2 4.4Å; F60-W80 HydrophobicContact CZ-CE3 4.13Å |
| 61 | M | 96.6 | Very high | 93.9 | Very high | 23 Ų | 23 | 83.9 Ų | 83.9 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 173.5 | -177.7 | -161.6 | 66.6 | 0 | 0 | 112 | S57 Q59 T64 K65 R66 K68 L69 D73 | S57-M61 PolarHBondContact O-N 2.99Å; Q59-M61 VanDerWaalsContact C-N 3.31Å; Q59-M61 PolarHBondContact O-N 3.01Å; M61-T64 PolarHBondContact O-N 3.25Å; M61-T64 PolarHBondContact O-OG1 3.43Å; M61-K65 PolarHBondContact O-N 3.22Å; M61-R66 HydrophobicContact CG-CB 4.07Å; M61-R66 PolarHBondContact O-N 3.42Å; M61-K68 WeakPolarHBondContact CG-O 3.35Å; M61-L69 HydrophobicContact SD-CB 3.86Å; M61-L69 PolarHBondContact SD-N 3.41Å; M61-L69 VanDerWaalsContact SD-N 3.37Å; M61-D73 PolarHBondContact N-OD1 3.18Å |
| 62 | K | 95 | Very high | 94 | Very high | 109 Ų | 109 | 84.5 Ų | 84.5 | 47% | 0.474 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 178.1 | -73.1 | 162.3 | -176 | 150 | 0 | 112.3 | S58 Q59 T64 K65 | S58-K62 WeakPolarHBondContact O-CB 3.46Å; S58-K62 WeakPolarHBondContact O-CD 3.4Å; S58-K62 VanDerWaalsContact O-CG 3.24Å; S58-K62 WeakPolarHBondContact O-CG 3.15Å; S58-K62 PolarHBondContact O-N 3.1Å; S58-K62 VanDerWaalsContact O-N 3.09Å; S58-K62 WeakPolarHBondContact OG-CE 3.4Å; S58-K62 PolarHBondContact OG-NZ 2.82Å; Q59-K62 PolarHBondContact O-N 3.48Å; Q59-K62 VanDerWaalsContact O-N 3.15Å; K62-T64 VanDerWaalsContact C-N 3.3Å; K62-T64 PolarHBondContact O-N 3.15Å; K62-K65 WeakPolarHBondContact O-CA 3.44Å; K62-K65 PolarHBondContact O-N 2.92Å |
| 63 | H | 94.8 | Very high | 94.1 | Very high | 153 Ų | 153 | 81.4 Ų | 81.4 | 71% | 0.708 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.4 | -32 | 176.5 | -80.8 | -67.8 | 0 | 0 | 0 | 112.7 | Q59 F60 K65 | Q59-H63 WeakPolarHBondContact O-CB 3.47Å; Q59-H63 PolarHBondContact O-CD2 3.15Å; Q59-H63 PolarHBondContact O-N 2.68Å; F60-H63 PolarHBondContact O-N 3.45Å; H63-K65 PolarHBondContact O-N 3.04Å |
| 64 | T | 93.3 | Very high | 94.1 | Very high | 55 Ų | 55 | 83.5 Ų | 83.5 | 34% | 0.337 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 4.5 | 171 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | F60 M61 K62 R66 | F60-T64 WeakPolarHBondContact O-CG2 3.37Å; F60-T64 PolarHBondContact O-N 3.07Å; F60-T64 PolarHBondContact O-OG1 3.07Å; M61-T64 PolarHBondContact O-N 3.25Å; M61-T64 PolarHBondContact O-OG1 3.43Å; K62-T64 VanDerWaalsContact C-N 3.3Å; K62-T64 PolarHBondContact O-N 3.15Å; T64-R66 PolarHBondContact O-N 3.12Å; T64-R66 PolarHBondContact OG1-NE 3.11Å |
| 65 | K | 93.7 | Very high | 94.1 | Very high | 187 Ų | 187 | 81 Ų | 81 | 81% | 0.813 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 21.3 | -177.3 | -53.7 | 177.8 | -177.5 | 174.1 | 0 | 114.2 | M61 K62 H63 | M61-K65 PolarHBondContact O-N 3.22Å; K62-K65 WeakPolarHBondContact O-CA 3.44Å; K62-K65 PolarHBondContact O-N 2.92Å; H63-K65 PolarHBondContact O-N 3.04Å |
| 66 | R | 93.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 80.3 Ų | 80.3 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | trans | -90.3 | 156.1 | 178.9 | -64.2 | -174.2 | -68 | 166.9 | -1 | 110.8 | M61 T64 T70 D73 | M61-R66 HydrophobicContact CG-CB 4.07Å; M61-R66 PolarHBondContact O-N 3.42Å; T64-R66 PolarHBondContact O-N 3.12Å; T64-R66 PolarHBondContact OG1-NE 3.11Å; R66-T70 VanDerWaalsContact NH1-CG2 3.33Å; R66-T70 PolarHBondContact NH1-OG1 2.91Å; R66-T70 PolarHBondContact NH2-OG1 3.46Å; R66-T70 VanDerWaalsContact NH2-OG1 3.09Å; R66-D73 IonicContact CZ-OD1 3.77Å; R66-D73 IonicContact CZ-OD2 2.64Å; R66-D73 IonicContact NH2-OD1 2.81Å; R66-D73 PolarHBondContact NH2-OD1 2.89Å; R66-D73 IonicContact NH2-OD2 3.75Å; R66-D73 PolarHBondContact NH2-OD2 2.96Å | ||
| 67 | R | 93.3 | Very high | 94.1 | Very high | 244 Ų | 244 | 78.2 Ų | 78.2 | 92% | 0.921 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -110.6 | -11.2 | 175.6 | -57 | -177.9 | 82.4 | 179.2 | 5.8 | 113.3 | ||
| 68 | K | 92.8 | Very high | 94 | Very high | 176 Ų | 176 | 79.3 Ų | 79.3 | 77% | 0.765 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -106.9 | 129.8 | 172.9 | -65 | -171.7 | 176.9 | -172.8 | 0 | 108.1 | M61 | M61-K68 WeakPolarHBondContact CG-O 3.35Š|
| 69 | L | 92.1 | Very high | 93.8 | Very high | 83 Ų | 83 | 85.4 Ų | 85.4 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | trans | -78.5 | 134.4 | 175.4 | -169.8 | 134.1 | 0 | 0 | 0 | 108.5 | M61 D73 | M61-L69 HydrophobicContact SD-CB 3.86Å; M61-L69 PolarHBondContact SD-N 3.41Å; M61-L69 VanDerWaalsContact SD-N 3.37Å; L69-D73 HydrophobicContact CG-CB 4.37Å | ||
| 70 | T | 91.8 | Very high | 93.7 | Very high | 44 Ų | 44 | 89.5 Ų | 89.5 | 27% | 0.27 | 39% | 0.393 | S | S | . | . | trans | -116.4 | 158.5 | -177.7 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | R66 E72 D73 F74 | R66-T70 VanDerWaalsContact NH1-CG2 3.33Å; R66-T70 PolarHBondContact NH1-OG1 2.91Å; R66-T70 PolarHBondContact NH2-OG1 3.46Å; R66-T70 VanDerWaalsContact NH2-OG1 3.09Å; T70-E72 PolarHBondContact O-N 3.44Å; T70-E72 VanDerWaalsContact O-N 3.15Å; T70-D73 PolarHBondContact N-OD2 3.31Å; T70-D73 WeakPolarHBondContact O-CB 3.33Å; T70-D73 PolarHBondContact O-N 2.93Å; T70-D73 PolarHBondContact OG1-OD2 3.33Å; T70-F74 PolarHBondContact O-N 2.89Å | ||
| 71 | V | 92.8 | Very high | 93.5 | Very high | 58 Ų | 58 | 89.3 Ų | 89.3 | 35% | 0.352 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -53.6 | -35.9 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | D73 F74 N75 | V71-D73 PolarHBondContact O-N 3.5Å; V71-F74 PolarHBondContact O-N 3.23Å; V71-N75 WeakPolarHBondContact O-CB 3.28Å; V71-N75 PolarHBondContact O-N 2.71Å |
| 72 | E | 92 | Very high | 93.2 | Very high | 110 Ų | 110 | 93.9 Ų | 93.9 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 172.8 | -74.8 | -169.3 | -135.7 | 0 | 0 | 114.3 | T70 F74 R76 | T70-E72 PolarHBondContact O-N 3.44Å; T70-E72 VanDerWaalsContact O-N 3.15Å; E72-F74 VanDerWaalsContact C-N 3.29Å; E72-F74 PolarHBondContact O-N 2.79Å; E72-R76 WeakPolarHBondContact O-CB 3.38Å; E72-R76 WeakPolarHBondContact O-CD 3.25Å; E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE2-CZ 3.18Å; E72-R76 IonicContact OE2-NE 2.75Å; E72-R76 IonicContact OE2-NH2 3.66Å; E72-R76 PolarHBondContact OE2-NH2 3.33Å |
| 73 | D | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 92.4 Ų | 92.4 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.8 | -37 | 177.6 | -59.6 | -64.2 | 0 | 0 | 0 | 110.5 | S57 F60 M61 R66 L69 T70 V71 A77 | S57-D73 WeakPolarHBondContact CB-O 3.1Å; F60-D73 HydrophobicContact CB-CB 4.23Å; M61-D73 PolarHBondContact N-OD1 3.18Å; R66-D73 IonicContact CZ-OD1 3.77Å; R66-D73 IonicContact CZ-OD2 2.64Å; R66-D73 IonicContact NH2-OD1 2.81Å; R66-D73 PolarHBondContact NH2-OD1 2.89Å; R66-D73 IonicContact NH2-OD2 3.75Å; R66-D73 PolarHBondContact NH2-OD2 2.96Å; L69-D73 HydrophobicContact CG-CB 4.37Å; T70-D73 PolarHBondContact N-OD2 3.31Å; T70-D73 WeakPolarHBondContact O-CB 3.33Å; T70-D73 PolarHBondContact O-N 2.93Å; T70-D73 PolarHBondContact OG1-OD2 3.33Å; V71-D73 PolarHBondContact O-N 3.5Å; D73-A77 PolarHBondContact O-N 2.67Å; D73-A77 VanDerWaalsContact O-N 3.11Å |
| 74 | F | 94.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 93.5 Ų | 93.5 | 23% | 0.228 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -71.1 | -47.4 | 176.6 | -154.3 | -91.5 | 0 | 0 | 0 | 111.9 | A53 T70 V71 E72 R76 A77 L78 | A53-F74 HydrophobicContact CB-CE1 4.45Å; A53-F74 HydrophobicContact CB-CE2 4.03Å; A53-F74 HydrophobicContact CB-CZ 3.74Å; T70-F74 PolarHBondContact O-N 2.89Å; V71-F74 PolarHBondContact O-N 3.23Å; E72-F74 VanDerWaalsContact C-N 3.29Å; E72-F74 PolarHBondContact O-N 2.79Å; F74-R76 PolarHBondContact O-N 3.13Å; F74-A77 CarbonylContact O-C 3.53Å; F74-A77 WeakPolarHBondContact O-CA 3.36Å; F74-A77 WeakPolarHBondContact O-CB 3.33Å; F74-A77 PolarHBondContact O-N 3.05Å; F74-L78 HydrophobicContact CD1-CD1 3.83Å; F74-L78 HydrophobicContact CD1-CG 3.98Å; F74-L78 HydrophobicContact CE1-CD1 3.94Å; F74-L78 HydrophobicContact CE1-CD2 4.03Å; F74-L78 HydrophobicContact CE1-CG 3.99Å; F74-L78 PolarHBondContact O-N 3.43Å |
| 75 | N | 94.6 | Very high | 92.6 | Very high | 21 Ų | 21 | 92.5 Ų | 92.5 | 11% | 0.112 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.6 | -20.9 | 174.6 | -81.2 | -15.7 | 0 | 0 | 0 | 113.1 | V71 R79 A85 V86 | V71-N75 WeakPolarHBondContact O-CB 3.28Å; V71-N75 PolarHBondContact O-N 2.71Å; N75-R79 WeakPolarHBondContact O-CG 3.42Å; N75-R79 PolarHBondContact O-N 2.87Å; N75-R79 PolarHBondContact O-NE 3.49Å; N75-R79 PolarHBondContact O-NH2 3.15Å; N75-A85 HydrophobicContact CB-CB 4.1Å; N75-V86 PolarHBondContact ND2-O 3.48Å; N75-V86 PolarHBondContact OD1-N 3Å |
| 76 | R | 93.4 | Very high | 92.3 | Very high | 92 Ų | 92 | 86.9 Ų | 86.9 | 35% | 0.347 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -75.4 | -38.4 | 167 | -72.5 | 163.8 | -161.6 | -152.2 | 7 | 111.5 | F60 E72 F74 W80 | F60-R76 HydrophobicContact CD1-CB 4.29Å; F60-R76 HydrophobicContact CD2-CB 4.06Å; F60-R76 HydrophobicContact CE1-CB 4.4Å; F60-R76 HydrophobicContact CE2-CB 4.2Å; F60-R76 HydrophobicContact CG-CB 4.12Å; F60-R76 HydrophobicContact CZ-CB 4.36Å; E72-R76 WeakPolarHBondContact O-CB 3.38Å; E72-R76 WeakPolarHBondContact O-CD 3.25Å; E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE2-CZ 3.18Å; E72-R76 IonicContact OE2-NE 2.75Å; E72-R76 IonicContact OE2-NH2 3.66Å; E72-R76 PolarHBondContact OE2-NH2 3.33Å; F74-R76 PolarHBondContact O-N 3.13Å; R76-W80 WeakPolarHBondContact O-CB 3.49Å; R76-W80 PolarHBondContact O-N 3.21Å |
| 77 | A | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 88.3 Ų | 88.3 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N56 F60 D73 F74 W80 S81 | N56-A77 HydrophobicContact CB-CB 3.86Å; F60-A77 HydrophobicContact CD2-CB 4.27Å; F60-A77 HydrophobicContact CE2-CB 4.22Å; D73-A77 PolarHBondContact O-N 2.67Å; D73-A77 VanDerWaalsContact O-N 3.11Å; F74-A77 CarbonylContact O-C 3.53Å; F74-A77 WeakPolarHBondContact O-CA 3.36Å; F74-A77 WeakPolarHBondContact O-CB 3.33Å; F74-A77 PolarHBondContact O-N 3.05Å; A77-W80 WeakPolarHBondContact O-CB 3.42Å; A77-W80 PolarHBondContact O-N 3.29Å; A77-S81 PolarHBondContact O-N 3.47Å; A77-S81 VanDerWaalsContact O-N 3.09Å; A77-S81 PolarHBondContact O-OG 3.4Å |
| 78 | L | 93 | Very high | 91.4 | Very high | 23 Ų | 23 | 80.5 Ų | 80.5 | 12% | 0.12 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.3 | -50.7 | 175.3 | -68.7 | 176 | 0 | 0 | 0 | 111.4 | F74 W80 S81 S82 V83 V86 | F74-L78 HydrophobicContact CD1-CD1 3.83Å; F74-L78 HydrophobicContact CD1-CG 3.98Å; F74-L78 HydrophobicContact CE1-CD1 3.94Å; F74-L78 HydrophobicContact CE1-CD2 4.03Å; F74-L78 HydrophobicContact CE1-CG 3.99Å; F74-L78 PolarHBondContact O-N 3.43Å; L78-W80 PolarHBondContact O-N 3.12Å; L78-S81 CarbonylContact O-C 3.28Å; L78-S81 WeakPolarHBondContact O-CA 3.26Å; L78-S81 PolarHBondContact O-N 2.96Å; L78-S82 PolarHBondContact O-N 3.28Å; L78-V83 CarbonylContact C-O 3.09Å; L78-V83 VanDerWaalsContact C-O 3.28Å; L78-V83 HydrophobicContact CB-CB 4.19Å; L78-V83 HydrophobicContact CD2-CB 4.24Å; L78-V83 HydrophobicContact CD2-CG1 4.13Å; L78-V83 PolarHBondContact O-N 3.29Å; L78-V86 HydrophobicContact CD1-CG2 3.74Å |
| 79 | R | 93.3 | Very high | 90.8 | Very high | 150 Ų | 150 | 78.6 Ų | 78.6 | 57% | 0.566 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.3 | -31.1 | 176 | -75.2 | 179.5 | -73.5 | -160 | -2.7 | 113.3 | N75 S81 S82 V83 A85 | N75-R79 WeakPolarHBondContact O-CG 3.42Å; N75-R79 PolarHBondContact O-N 2.87Å; N75-R79 PolarHBondContact O-NE 3.49Å; N75-R79 PolarHBondContact O-NH2 3.15Å; R79-S81 VanDerWaalsContact C-N 3.33Å; R79-S82 PolarHBondContact O-N 3.27Å; R79-V83 PolarHBondContact N-O 2.98Å; R79-A85 HydrophobicContact CG-CB 4.36Å |
| 80 | W | 91.8 | Very high | 90 | Very high | 163 Ų | 163 | 77.5 Ų | 77.5 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.7 | -35.2 | 172.7 | -176.2 | -83 | 0 | 0 | 0 | 112.4 | F60 R76 A77 L78 S82 L573 | F60-W80 HydrophobicContact CE2-CB 4.46Å; F60-W80 HydrophobicContact CZ-CB 4.36Å; F60-W80 HydrophobicContact CZ-CD2 4.4Å; F60-W80 HydrophobicContact CZ-CE3 4.13Å; R76-W80 WeakPolarHBondContact O-CB 3.49Å; R76-W80 PolarHBondContact O-N 3.21Å; A77-W80 WeakPolarHBondContact O-CB 3.42Å; A77-W80 PolarHBondContact O-N 3.29Å; L78-W80 PolarHBondContact O-N 3.12Å; W80-S82 PolarHBondContact O-N 3.38Å; W80-L573 HydrophobicContact CH2-CD1 4.02Å |
| 81 | S | 91.3 | Very high | 89.4 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 35% | 0.35 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 11.6 | 173.4 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | A77 L78 R79 V83 | A77-S81 PolarHBondContact O-N 3.47Å; A77-S81 VanDerWaalsContact O-N 3.09Å; A77-S81 PolarHBondContact O-OG 3.4Å; L78-S81 CarbonylContact O-C 3.28Å; L78-S81 WeakPolarHBondContact O-CA 3.26Å; L78-S81 PolarHBondContact O-N 2.96Å; R79-S81 VanDerWaalsContact C-N 3.33Å; S81-V83 PolarHBondContact O-N 2.97Å |
| 82 | S | 91.9 | Very high | 88.4 | Confident | 119 Ų | 119 | 86.1 Ų | 86.1 | 83% | 0.832 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 26.4 | -174.5 | -53.5 | 0 | 0 | 0 | 0 | 114.7 | L78 R79 W80 | L78-S82 PolarHBondContact O-N 3.28Å; R79-S82 PolarHBondContact O-N 3.27Å; W80-S82 PolarHBondContact O-N 3.38Å |
| 83 | V | 92.4 | Very high | 87.7 | Confident | 79 Ų | 79 | 88.4 Ų | 88.4 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -97 | 145 | 172.5 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | L78 R79 S81 | L78-V83 CarbonylContact C-O 3.09Å; L78-V83 VanDerWaalsContact C-O 3.28Å; L78-V83 HydrophobicContact CB-CB 4.19Å; L78-V83 HydrophobicContact CD2-CB 4.24Å; L78-V83 HydrophobicContact CD2-CG1 4.13Å; L78-V83 PolarHBondContact O-N 3.29Å; R79-V83 PolarHBondContact N-O 2.98Å; S81-V83 PolarHBondContact O-N 2.97Å |
| 84 | E | 90.5 | Very high | 86.9 | Confident | 176 Ų | 176 | 92.8 Ų | 92.8 | 82% | 0.822 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 150 | 175.8 | -61.1 | -168.9 | 156.7 | 0 | 0 | 111.5 | ||
| 85 | A | 87.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 95.2 Ų | 95.2 | 27% | 0.273 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 137.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | N75 R79 C87 | N75-A85 HydrophobicContact CB-CB 4.1Å; R79-A85 HydrophobicContact CG-CB 4.36Å; A85-C87 PolarHBondContact O-N 3.4Å |
| 86 | V | 87.1 | Confident | 85.5 | Confident | 70 Ų | 70 | 97.1 Ų | 97.1 | 42% | 0.424 | 55% | 0.548 | S | S | . | . | trans | -76 | 114.7 | 177.7 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | N75 L78 Y89 | N75-V86 PolarHBondContact ND2-O 3.48Å; N75-V86 PolarHBondContact OD1-N 3Å; L78-V86 HydrophobicContact CD1-CG2 3.74Å; V86-Y89 HydrophobicContact CB-CD2 4.37Å; V86-Y89 HydrophobicContact CG1-CD2 3.53Å; V86-Y89 HydrophobicContact CG1-CE2 3.53Å | ||
| 87 | C | 84.9 | Confident | 85 | Confident | 111 Ų | 111 | 98.2 Ų | 98.2 | 75% | 0.75 | 56% | 0.56 | S | S | * | * | trans | -81.4 | 166.8 | 174.6 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | A85 Y89 | A85-C87 PolarHBondContact O-N 3.4Å; C87-Y89 VanDerWaalsContact C-N 3.27Å; C87-Y89 VanDerWaalsContact O-CD2 3.28Å; C87-Y89 WeakPolarHBondContact O-CD2 3.37Å; C87-Y89 PolarHBondContact O-N 3.19Å | ||
| 88 | G | 82.5 | Confident | 84.5 | Confident | 81 Ų | 81 | 103.4 Ų | 103.4 | 84% | 0.835 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 83.6 | -16.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 89 | Y | 80.2 | Confident | 84.2 | Confident | 136 Ų | 136 | 106.4 Ų | 106.4 | 53% | 0.533 | 60% | 0.6 | S | S | . | * | trans | -100.7 | 133.8 | 178.5 | -61.1 | -88 | 0 | 0 | 0 | 112 | V86 C87 L95 | V86-Y89 HydrophobicContact CB-CD2 4.37Å; V86-Y89 HydrophobicContact CG1-CD2 3.53Å; V86-Y89 HydrophobicContact CG1-CE2 3.53Å; C87-Y89 VanDerWaalsContact C-N 3.27Å; C87-Y89 VanDerWaalsContact O-CD2 3.28Å; C87-Y89 WeakPolarHBondContact O-CD2 3.37Å; C87-Y89 PolarHBondContact O-N 3.19Å; Y89-L95 HydrophobicContact CD1-CD1 3.98Å; Y89-L95 HydrophobicContact CE1-CD1 3.85Å | ||
| 90 | G | 75.2 | Confident | 83.7 | Confident | 60 Ų | 60 | 100.9 Ų | 100.9 | 62% | 0.619 | 59% | 0.587 | S | S | * | * | trans | 143 | -8.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 91 | S | 78.9 | Confident | 83 | Confident | 79 Ų | 79 | 105.5 Ų | 105.5 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | trans | -59.3 | 154.4 | 168.8 | -170.1 | 0 | 0 | 0 | 0 | 111.1 | E93 | S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 WeakPolarHBondContact OG-CB 3.45Å; S91-E93 PolarHBondContact OG-N 3.25Å; S91-E93 VanDerWaalsContact OG-N 3.12Å; S91-E93 PolarHBondContact OG-OE2 3.3Å | ||
| 92 | Q | 71.8 | Confident | 82 | Confident | 203 Ų | 203 | 111.3 Ų | 111.3 | 95% | 0.949 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -81.5 | -13.2 | 167.2 | -64.7 | -171.9 | 27.7 | 0 | 0 | 112.1 | ||
| 93 | E | 77.6 | Confident | 80.7 | Confident | 158 Ų | 158 | 108.4 Ų | 108.4 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -67.8 | 135.7 | 174.4 | -65.3 | 164.1 | 154.1 | 0 | 0 | 109.7 | S91 | S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 WeakPolarHBondContact OG-CB 3.45Å; S91-E93 PolarHBondContact OG-N 3.25Å; S91-E93 VanDerWaalsContact OG-N 3.12Å; S91-E93 PolarHBondContact OG-OE2 3.3Å |
| 94 | A | 76.2 | Confident | 79.9 | Confident | 92 Ų | 92 | 112.1 Ų | 112.1 | 76% | 0.76 | 63% | 0.632 | S | S | * | * | trans | -71.3 | 136.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P96 | A94-P96 WeakPolarHBondContact O-CD 3.36Š| ||
| 95 | L | 79 | Confident | 79.4 | Confident | 103 Ų | 103 | 108.3 Ų | 108.3 | 54% | 0.539 | 62% | 0.616 | S | S | . | * | trans | -92.6 | 98.6 | 168.9 | -72 | 164.9 | 0 | 0 | 0 | 108.2 | Y89 | Y89-L95 HydrophobicContact CD1-CD1 3.98Å; Y89-L95 HydrophobicContact CE1-CD1 3.85Å | ||
| 96 | P | 81.1 | Confident | 79.2 | Confident | 61 Ų | 61 | 113.9 Ų | 113.9 | 40% | 0.396 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 130.5 | 178.9 | 30.8 | -34.4 | 0 | 0 | 0 | 110.3 | A94 E109 | A94-P96 WeakPolarHBondContact O-CD 3.36Å; P96-E109 HydrophobicContact CG-CB 4.05Å; P96-E109 PolarHBondContact O-N 2.97Å; P96-E109 VanDerWaalsContact O-N 3.14Å |
| 97 | L | 83.8 | Confident | 79.1 | Confident | 115 Ų | 115 | 115.4 Ų | 115.4 | 60% | 0.602 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 123.2 | 168.5 | -67.1 | 173.8 | 0 | 0 | 0 | 108.8 | F107 P108 | L97-F107 WeakPolarHBondContact CA-O 3.36Å; L97-P108 HydrophobicContact CD2-CG 4.11Å |
| 98 | R | 84.8 | Confident | 79.1 | Confident | 110 Ų | 110 | 113 Ų | 113 | 42% | 0.415 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.3 | 176.5 | -71.8 | -172.4 | 175.3 | -175.9 | -1.2 | 110.9 | Y106 F107 E109 | R98-Y106 VanDerWaalsContact O-CA 3.3Å; R98-Y106 WeakPolarHBondContact O-CA 3.42Å; R98-F107 HydrophobicContact CB-CE1 3.99Å; R98-F107 HydrophobicContact CB-CE2 4.21Å; R98-F107 HydrophobicContact CB-CZ 3.83Å; R98-F107 PolarHBondContact N-O 3.37Å; R98-F107 VanDerWaalsContact O-CD1 3.25Å; R98-F107 WeakPolarHBondContact O-CD1 3.47Å; R98-F107 PolarHBondContact O-N 3.44Å; R98-E109 HydrophobicContact CG-CB 4.49Å; R98-E109 IonicContact CZ-OE1 2.67Å; R98-E109 IonicContact CZ-OE2 2.68Å; R98-E109 IonicContact NE-OE1 3.78Å; R98-E109 IonicContact NE-OE2 3.86Å; R98-E109 PolarHBondContact NE-OE2 2.94Å; R98-E109 IonicContact NH1-OE1 2.94Å; R98-E109 IonicContact NH1-OE2 3.63Å; R98-E109 IonicContact NH2-OE1 3.55Å; R98-E109 PolarHBondContact NH2-OE1 3.01Å; R98-E109 IonicContact NH2-OE2 3.72Å; R98-E109 PolarHBondContact NH2-OE2 2.65Å |
| 99 | P | 86.2 | Confident | 79.1 | Confident | 85 Ų | 85 | 111 Ų | 111 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.9 | 144.2 | 172.2 | 30.6 | -34.1 | 0 | 0 | 0 | 110.8 | L105 Y106 | P99-L105 CarbonylContact C-O 3.57Å; P99-L105 WeakPolarHBondContact CA-O 3.31Å; P99-Y106 HydrophobicContact CB-CD1 4.26Å; P99-Y106 HydrophobicContact CB-CE1 4Å |
| 100 | A | 82.2 | Confident | 79.1 | Confident | 35 Ų | 35 | 111.3 Ų | 111.3 | 29% | 0.289 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -68 | 164.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E102 L105 | A100-E102 VanDerWaalsContact C-N 3.33Å; A100-L105 HydrophobicContact CB-CB 3.92Å; A100-L105 PolarHBondContact N-O 3.3Å |
| 101 | R | 77.1 | Confident | 79.4 | Confident | 259 Ų | 259 | 117 Ų | 117 | 98% | 0.977 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -80 | -16.3 | 178.2 | -67.5 | -175 | 178.8 | -177.2 | 0.3 | 113.5 | ||
| 102 | E | 70.3 | Confident | 79.6 | Confident | 173 Ų | 173 | 123 Ų | 123 | 81% | 0.808 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -134.3 | 124.2 | 176.9 | -68.6 | 177.6 | 137.2 | 0 | 0 | 108.7 | A100 | A100-E102 VanDerWaalsContact C-N 3.33Š|
| 103 | G | 65.4 | Low | 80.1 | Confident | 57 Ų | 57 | 117.9 Ų | 117.9 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 81.7 | 163.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L105 | G103-L105 PolarHBondContact O-N 3.03Š|
| 104 | D | 76 | Confident | 80.6 | Confident | 157 Ų | 157 | 112.8 Ų | 112.8 | 84% | 0.84 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -76.2 | 42.1 | 177.1 | -68.9 | -31.3 | 0 | 0 | 0 | 112.6 | ||
| 105 | L | 80.4 | Confident | 81.2 | Confident | 96 Ų | 96 | 115 Ų | 115 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | trans | -94.2 | 137.6 | -179.3 | -65.9 | 172.5 | 0 | 0 | 0 | 110.4 | L25 P99 A100 G103 | L25-L105 HydrophobicContact CD1-CD2 4.33Å; P99-L105 CarbonylContact C-O 3.57Å; P99-L105 WeakPolarHBondContact CA-O 3.31Å; A100-L105 HydrophobicContact CB-CB 3.92Å; A100-L105 PolarHBondContact N-O 3.3Å; G103-L105 PolarHBondContact O-N 3.03Å | ||
| 106 | Y | 83.8 | Confident | 81.7 | Confident | 151 Ų | 151 | 114.9 Ų | 114.9 | 59% | 0.592 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.1 | 177.5 | -66 | -92.1 | 0 | 0 | 0 | 110.7 | R98 P99 | R98-Y106 VanDerWaalsContact O-CA 3.3Å; R98-Y106 WeakPolarHBondContact O-CA 3.42Å; P99-Y106 HydrophobicContact CB-CD1 4.26Å; P99-Y106 HydrophobicContact CB-CE1 4Å |
| 107 | F | 84.1 | Confident | 81.9 | Confident | 101 Ų | 101 | 118.9 Ų | 118.9 | 44% | 0.443 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.1 | 177.6 | 63.4 | -83 | 0 | 0 | 0 | 111.5 | L97 R98 | L97-F107 WeakPolarHBondContact CA-O 3.36Å; R98-F107 HydrophobicContact CB-CE1 3.99Å; R98-F107 HydrophobicContact CB-CE2 4.21Å; R98-F107 HydrophobicContact CB-CZ 3.83Å; R98-F107 PolarHBondContact N-O 3.37Å; R98-F107 VanDerWaalsContact O-CD1 3.25Å; R98-F107 WeakPolarHBondContact O-CD1 3.47Å; R98-F107 PolarHBondContact O-N 3.44Å |
| 108 | P | 84.9 | Confident | 81.9 | Confident | 62 Ų | 62 | 118.6 Ų | 118.6 | 40% | 0.403 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.9 | 135.2 | 168.2 | -18.3 | 32 | 0 | 0 | 0 | 110.9 | L97 D110 | L97-P108 HydrophobicContact CD2-CG 4.11Å; P108-D110 PolarHBondContact O-N 3.02Å; P108-D110 VanDerWaalsContact O-N 3.09Å |
| 109 | E | 82.3 | Confident | 81.8 | Confident | 38 Ų | 38 | 117.5 Ų | 117.5 | 18% | 0.178 | 61% | 0.61 | C | S | . | * | trans | -77.9 | 89.3 | 171.7 | -171.9 | -169.8 | 176.1 | 0 | 0 | 111 | P96 R98 R111 | P96-E109 HydrophobicContact CG-CB 4.05Å; P96-E109 PolarHBondContact O-N 2.97Å; P96-E109 VanDerWaalsContact O-N 3.14Å; R98-E109 HydrophobicContact CG-CB 4.49Å; R98-E109 IonicContact CZ-OE1 2.67Å; R98-E109 IonicContact CZ-OE2 2.68Å; R98-E109 IonicContact NE-OE1 3.78Å; R98-E109 IonicContact NE-OE2 3.86Å; R98-E109 PolarHBondContact NE-OE2 2.94Å; R98-E109 IonicContact NH1-OE1 2.94Å; R98-E109 IonicContact NH1-OE2 3.63Å; R98-E109 IonicContact NH2-OE1 3.55Å; R98-E109 PolarHBondContact NH2-OE1 3.01Å; R98-E109 IonicContact NH2-OE2 3.72Å; R98-E109 PolarHBondContact NH2-OE2 2.65Å; E109-R111 HydrophobicContact CG-CG 4.34Å; E109-R111 PolarHBondContact O-N 2.89Å; E109-R111 IonicContact OE1-CZ 2.75Å; E109-R111 IonicContact OE1-NE 3.37Å; E109-R111 PolarHBondContact OE1-NE 2.72Å; E109-R111 IonicContact OE1-NH2 3.71Å; E109-R111 PolarHBondContact OE1-NH2 3.09Å; E109-R111 IonicContact OE2-NH2 3.71Å | ||
| 110 | D | 80.2 | Confident | 81.8 | Confident | 142 Ų | 142 | 119.7 Ų | 119.7 | 76% | 0.759 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -78 | 117.8 | 169.7 | -70.4 | -28.4 | 0 | 0 | 0 | 110.2 | P108 | P108-D110 PolarHBondContact O-N 3.02Å; P108-D110 VanDerWaalsContact O-N 3.09Å |
| 111 | R | 81.2 | Confident | 81.7 | Confident | 180 Ų | 180 | 120.5 Ų | 120.5 | 68% | 0.679 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -102 | 132.7 | 171.8 | -66.5 | -171.6 | -179.8 | 175.4 | 6.8 | 109.8 | E109 V113 | E109-R111 HydrophobicContact CG-CG 4.34Å; E109-R111 PolarHBondContact O-N 2.89Å; E109-R111 IonicContact OE1-CZ 2.75Å; E109-R111 IonicContact OE1-NE 3.37Å; E109-R111 PolarHBondContact OE1-NE 2.72Å; E109-R111 IonicContact OE1-NH2 3.71Å; E109-R111 PolarHBondContact OE1-NH2 3.09Å; E109-R111 IonicContact OE2-NH2 3.71Å; R111-V113 PolarHBondContact O-N 2.97Å |
| 112 | E | 84.1 | Confident | 81.6 | Confident | 204 Ų | 204 | 114.2 Ų | 114.2 | 95% | 0.953 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 134.2 | 169.7 | -64.2 | -177.8 | -179 | 0 | 0 | 110.2 | ||
| 113 | V | 82.6 | Confident | 81.8 | Confident | 97 Ų | 97 | 112.9 Ų | 112.9 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | trans | -115.3 | 124 | 179.7 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | R111 L115 L118 | R111-V113 PolarHBondContact O-N 2.97Å; V113-L115 PolarHBondContact O-N 3.42Å; V113-L115 VanDerWaalsContact O-N 3.11Å; V113-L118 HydrophobicContact CG1-CB 4.49Å; V113-L118 HydrophobicContact CG1-CD2 4.43Å | ||
| 114 | S | 87.6 | Confident | 82.4 | Confident | 50 Ų | 50 | 117.1 Ų | 117.1 | 35% | 0.35 | 62% | 0.619 | S | S | . | * | trans | -67 | 109.1 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | V116 E117 L118 | S114-V116 PolarHBondContact O-N 3.16Å; S114-E117 PolarHBondContact O-N 2.94Å; S114-E117 PolarHBondContact OG-N 3.35Å; S114-L118 PolarHBondContact O-N 2.96Å | ||
| 115 | L | 87.6 | Confident | 82.3 | Confident | 138 Ų | 138 | 115.2 Ų | 115.2 | 72% | 0.723 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.1 | -28.8 | 177.8 | -63.9 | 179.4 | 0 | 0 | 0 | 112.4 | V113 A119 | V113-L115 PolarHBondContact O-N 3.42Å; V113-L115 VanDerWaalsContact O-N 3.11Å; L115-A119 VanDerWaalsContact O-CB 3.23Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 3.34Å |
| 116 | V | 90.1 | Very high | 82.2 | Confident | 101 Ų | 101 | 120.4 Ų | 120.4 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.7 | -45.5 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | S114 A119 L120 | S114-V116 PolarHBondContact O-N 3.16Å; V116-A119 PolarHBondContact O-N 3.38Å; V116-L120 HydrophobicContact CG1-CD1 3.95Å; V116-L120 WeakPolarHBondContact O-CB 3.47Å; V116-L120 VanDerWaalsContact O-CG 3.26Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.44Å |
| 117 | E | 85.5 | Confident | 81.7 | Confident | 145 Ų | 145 | 116.8 Ų | 116.8 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.7 | -40.4 | 176.5 | -67.9 | 170.7 | -169.7 | 0 | 0 | 111.6 | S114 L120 A121 | S114-E117 PolarHBondContact O-N 2.94Å; S114-E117 PolarHBondContact OG-N 3.35Å; E117-L120 PolarHBondContact O-N 2.99Å; E117-A121 PolarHBondContact O-N 3.09Å |
| 118 | L | 83.7 | Confident | 81.4 | Confident | 110 Ų | 110 | 118.3 Ų | 118.3 | 58% | 0.576 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.4 | -39 | 176.1 | -174 | 65.3 | 0 | 0 | 0 | 112.3 | V113 S114 A121 | V113-L118 HydrophobicContact CG1-CB 4.49Å; V113-L118 HydrophobicContact CG1-CD2 4.43Å; S114-L118 PolarHBondContact O-N 2.96Å; L118-A121 WeakPolarHBondContact O-CB 3.33Å; L118-A121 PolarHBondContact O-N 2.85Å |
| 119 | A | 82.4 | Confident | 80.8 | Confident | 87 Ų | 87 | 120 Ų | 120 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.6 | -30.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L115 V116 | L115-A119 VanDerWaalsContact O-CB 3.23Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 3.34Å; V116-A119 PolarHBondContact O-N 3.38Å |
| 120 | L | 86.4 | Confident | 80.9 | Confident | 131 Ų | 131 | 127.1 Ų | 127.1 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -84.3 | -9.5 | 175.3 | -66.7 | 173.6 | 0 | 0 | 0 | 113.1 | V116 E117 T122 | V116-L120 HydrophobicContact CG1-CD1 3.95Å; V116-L120 WeakPolarHBondContact O-CB 3.47Å; V116-L120 VanDerWaalsContact O-CG 3.26Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.44Å; E117-L120 PolarHBondContact O-N 2.99Å; L120-T122 PolarHBondContact O-N 3.15Å; L120-T122 VanDerWaalsContact O-N 3.17Å |
| 121 | A | 81 | Confident | 80.9 | Confident | 51 Ų | 51 | 127.5 Ų | 127.5 | 42% | 0.421 | 73% | 0.725 | S | S | . | * | trans | -65.2 | 113.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E117 L118 N123 | E117-A121 PolarHBondContact O-N 3.09Å; L118-A121 WeakPolarHBondContact O-CB 3.33Å; L118-A121 PolarHBondContact O-N 2.85Å; A121-N123 PolarHBondContact O-N 2.93Å | ||
| 122 | T | 74.1 | Confident | 81 | Confident | 128 Ų | 128 | 123 Ų | 123 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -72.5 | 2.7 | -178.6 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | L120 I124 | L120-T122 PolarHBondContact O-N 3.15Å; L120-T122 VanDerWaalsContact O-N 3.17Å; T122-I124 VanDerWaalsContact C-N 3.3Å; T122-I124 PolarHBondContact O-N 3.33Å | ||
| 123 | N | 74.9 | Confident | 80.9 | Confident | 144 Ų | 144 | 119.6 Ų | 119.6 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -82.7 | 67.6 | -176 | -69.7 | -35.9 | 0 | 0 | 0 | 112.1 | A121 P125 | A121-N123 PolarHBondContact O-N 2.93Å; N123-P125 WeakPolarHBondContact O-CD 3.24Å | ||
| 124 | I | 76.9 | Confident | 80.3 | Confident | 146 Ų | 146 | 125 Ų | 125 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 126.6 | 173.5 | -57.6 | 173.4 | 0 | 0 | 0 | 109.1 | T122 K126 | T122-I124 VanDerWaalsContact C-N 3.3Å; T122-I124 PolarHBondContact O-N 3.33Å; I124-K126 PolarHBondContact O-N 3.03Å; I124-K126 VanDerWaalsContact O-N 3.15Å |
| 125 | P | 74.3 | Confident | 79.7 | Confident | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 120.4 | 175.8 | -25 | 34.4 | 0 | 0 | 0 | 110.9 | N123 G127 | N123-P125 WeakPolarHBondContact O-CD 3.24Å; P125-G127 PolarHBondContact O-N 3.23Å |
| 126 | K | 78.3 | Confident | 78.4 | Confident | 205 Ų | 205 | 129.1 Ų | 129.1 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 123.3 | 176 | -65.3 | -179.6 | -177.9 | 177.5 | 0 | 108.7 | I124 | I124-K126 PolarHBondContact O-N 3.03Å; I124-K126 VanDerWaalsContact O-N 3.15Å |
| 127 | G | 73.3 | Confident | 76.9 | Confident | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 145.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P125 | P125-G127 PolarHBondContact O-N 3.23Š|
| 128 | C | 77.3 | Confident | 75.3 | Confident | 133 Ų | 133 | 128.5 Ų | 128.5 | 90% | 0.899 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 140.9 | 173.6 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 129 | A | 73.9 | Confident | 73.7 | Confident | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 148.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 130 | E | 83.3 | Confident | 72.1 | Confident | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 142.3 | 178 | -63.9 | -172.6 | 156.2 | 0 | 0 | 112.1 | A132 | E130-A132 PolarHBondContact O-N 3.37Š|
| 131 | T | 81.6 | Confident | 70 | Confident | 151 Ų | 151 | 132.9 Ų | 132.9 | 93% | 0.926 | 76% | 0.755 | S | S | * | * | trans | -71.2 | 86.7 | -178.6 | 16 | 0 | 0 | 0 | 0 | 112 | ||||
| 132 | A | 82.8 | Confident | 68.3 | Low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -85.4 | 133.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E130 | E130-A132 PolarHBondContact O-N 3.37Š| ||
| 133 | V | 80.9 | Confident | 67.1 | Low | 132 Ų | 132 | 136.8 Ų | 136.8 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -91 | 111.5 | 172.4 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | V135 | V133-V135 HydrophobicContact CG1-CG2 4.2Š| ||
| 134 | R | 71.5 | Confident | 65.5 | Low | 212 Ų | 212 | 133 Ų | 133 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -94 | 116 | 169.7 | -67.7 | -175.2 | -179.1 | 173.8 | 1.2 | 110 | ||||
| 135 | V | 73.8 | Confident | 64 | Low | 117 Ų | 117 | 131.9 Ų | 131.9 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | trans | -92.3 | 108.6 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | V133 V137 | V133-V135 HydrophobicContact CG1-CG2 4.2Å; V135-V137 HydrophobicContact CG1-CG2 4.14Å | ||
| 136 | H | 60.2 | Low | 62.5 | Low | 156 Ų | 156 | 134.4 Ų | 134.4 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -96.9 | 117.5 | 165.6 | -70.6 | -81.5 | 0 | 0 | 0 | 108.7 | S138 | H136-S138 PolarHBondContact O-N 2.92Š| ||
| 137 | V | 60 | Low | 60.8 | Low | 126 Ų | 126 | 128.1 Ų | 128.1 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -86.7 | 95.7 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | V135 | V135-V137 HydrophobicContact CG1-CG2 4.14Š| ||
| 138 | S | 50.6 | Low | 59.4 | Low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -99.1 | 81.6 | 175.1 | 39.4 | 0 | 0 | 0 | 0 | 111.3 | H136 | H136-S138 PolarHBondContact O-N 2.92Š| ||
| 139 | Y | 49.5 | Very low | 58.1 | Low | 193 Ų | 193 | 129.7 Ų | 129.7 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | trans | -150.5 | 142 | 172.4 | -100.5 | -80.5 | 0 | 0 | 0 | 106.4 | ||||
| 140 | L | 49.3 | Very low | 56.9 | Low | 96 Ų | 96 | 127.9 Ų | 127.9 | 50% | 0.503 | 73% | 0.732 | S | S | . | * | S | Bend | cis | -141.2 | 164.8 | 30.2 | -95.1 | 137.1 | 0 | 0 | 0 | 113 | C211 | L140-C211 HydrophobicContact CD1-CB 4.19Š|
| 141 | D | 43.4 | Very low | 55.4 | Low | 130 Ų | 130 | 123.2 Ų | 123.2 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 70.9 | 151.3 | 172.6 | -143.9 | -7.3 | 0 | 0 | 0 | 117 | K143 | D141-K143 PolarHBondContact O-N 2.64Š|
| 142 | G | 45.4 | Very low | 54.1 | Low | 78 Ų | 78 | 120.7 Ų | 120.7 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -69.7 | 9.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 143 | K | 47.7 | Very low | 52.8 | Low | 184 Ų | 184 | 121 Ų | 121 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -131.7 | 104.3 | 174.3 | -65.1 | 176.5 | -177.4 | 175.5 | 0 | 106.5 | D141 | D141-K143 PolarHBondContact O-N 2.64Š|
| 144 | G | 41.1 | Very low | 51.7 | Low | 63 Ų | 63 | 118.3 Ų | 118.3 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | trans | -53.7 | 148.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L146 | G144-L146 VanDerWaalsContact C-N 3.28Å; G144-L146 PolarHBondContact O-N 2.88Å | ||
| 145 | N | 45.5 | Very low | 51.3 | Low | 123 Ų | 123 | 111 Ų | 111 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 77.2 | -174.6 | -74.3 | -49.6 | 0 | 0 | 0 | 113.6 | ||
| 146 | L | 44.1 | Very low | 50.9 | Low | 172 Ų | 172 | 107 Ų | 107 | 90% | 0.901 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.1 | -15.5 | 169.3 | -72 | 176.9 | 0 | 0 | 0 | 113 | G144 | G144-L146 VanDerWaalsContact C-N 3.28Å; G144-L146 PolarHBondContact O-N 2.88Å |
| 147 | A | 41.7 | Very low | 51.2 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 60% | 0.595 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -91.2 | 129.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q149 | A147-Q149 PolarHBondContact O-N 2.8Å; A147-Q149 VanDerWaalsContact O-N 3.07Å |
| 148 | P | 44.2 | Very low | 51.9 | Low | 123 Ų | 123 | 103 Ų | 103 | 80% | 0.799 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 116 | 160 | 26.5 | -31.3 | 0 | 0 | 0 | 106.7 | G150 | P148-G150 PolarHBondContact O-N 2.9Å; P148-G150 VanDerWaalsContact O-N 3.15Å |
| 149 | Q | 49.8 | Very low | 53.4 | Low | 119 Ų | 119 | 101 Ų | 101 | 56% | 0.556 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 127.1 | 178.4 | -77.6 | -163.7 | -9.3 | 0 | 0 | 108.5 | A147 Y215 | A147-Q149 PolarHBondContact O-N 2.8Å; A147-Q149 VanDerWaalsContact O-N 3.07Å; Q149-Y215 PolarHBondContact OE1-OH 3.46Å |
| 150 | G | 48.2 | Very low | 55.3 | Low | 57 Ų | 57 | 96 Ų | 96 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 173.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P148 | P148-G150 PolarHBondContact O-N 2.9Å; P148-G150 VanDerWaalsContact O-N 3.15Å |
| 151 | S | 51.8 | Low | 57.1 | Low | 91 Ų | 91 | 96.3 Ų | 96.3 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 149.5 | 173.8 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | P153 S154 | S151-P153 VanDerWaalsContact O-CD 3.28Å; S151-P153 WeakPolarHBondContact O-CD 3.5Å; S151-S154 PolarHBondContact O-N 3.46Å |
| 152 | V | 55.1 | Low | 59.4 | Low | 97 Ų | 97 | 95.7 Ų | 95.7 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -38.3 | -40.8 | -178.1 | -178 | 0 | 0 | 0 | 0 | 114.8 | S154 A155 V156 | V152-S154 PolarHBondContact O-N 3.07Å; V152-S154 VanDerWaalsContact O-N 3.15Å; V152-A155 PolarHBondContact O-N 2.96Å; V152-V156 HydrophobicContact CG1-CG2 4.09Å; V152-V156 WeakPolarHBondContact O-CG2 3.01Å; V152-V156 PolarHBondContact O-N 3.4Å |
| 153 | P | 55 | Low | 61.4 | Low | 92 Ų | 92 | 96.4 Ų | 96.4 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -52.1 | -35.4 | 177.2 | -30 | 37.9 | 0 | 0 | 0 | 115.5 | S151 V156 S157 | S151-P153 VanDerWaalsContact O-CD 3.28Å; S151-P153 WeakPolarHBondContact O-CD 3.5Å; P153-V156 PolarHBondContact O-N 2.88Å; P153-S157 PolarHBondContact O-N 3.32Å; P153-S157 PolarHBondContact O-OG 2.85Å |
| 154 | S | 58.8 | Low | 63.2 | Low | 75 Ų | 75 | 89.9 Ų | 89.9 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.6 | -30.8 | -177 | -176.2 | 0 | 0 | 0 | 0 | 113.6 | S151 V152 S157 | S151-S154 PolarHBondContact O-N 3.46Å; V152-S154 PolarHBondContact O-N 3.07Å; V152-S154 VanDerWaalsContact O-N 3.15Å; S154-S157 WeakPolarHBondContact CA-OG 3.45Å; S154-S157 PolarHBondContact O-OG 3.22Å |
| 155 | A | 62.7 | Low | 65.4 | Low | 60 Ų | 60 | 91 Ų | 91 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -78.2 | -34.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V152 S158 | V152-A155 PolarHBondContact O-N 2.96Å; A155-S158 PolarHBondContact O-N 2.78Å; A155-S158 PolarHBondContact O-OG 3.03Å |
| 156 | V | 64.3 | Low | 67.5 | Low | 32 Ų | 32 | 92.3 Ų | 92.3 | 19% | 0.194 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -68.6 | -35.6 | 175.5 | 178 | 0 | 0 | 0 | 0 | 111.2 | V152 P153 S158 L159 L164 Y167 | V152-V156 HydrophobicContact CG1-CG2 4.09Å; V152-V156 WeakPolarHBondContact O-CG2 3.01Å; V152-V156 PolarHBondContact O-N 3.4Å; P153-V156 PolarHBondContact O-N 2.88Å; V156-S158 PolarHBondContact O-N 3.05Å; V156-L159 HydrophobicContact CG1-CD1 4.44Å; V156-L159 WeakPolarHBondContact O-CB 3.35Å; V156-L159 PolarHBondContact O-N 3.2Å; V156-L164 HydrophobicContact CG1-CD1 3.4Å; V156-Y167 HydrophobicContact CG1-CD1 4.44Å; V156-Y167 HydrophobicContact CG1-CE1 4.42Å; V156-Y167 HydrophobicContact CG2-CE1 4Å |
| 157 | S | 66.3 | Low | 69.5 | Low | 98 Ų | 98 | 87.5 Ų | 87.5 | 69% | 0.685 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.4 | 178.3 | 61.2 | 0 | 0 | 0 | 0 | 115.1 | P153 S154 | P153-S157 PolarHBondContact O-N 3.32Å; P153-S157 PolarHBondContact O-OG 2.85Å; S154-S157 WeakPolarHBondContact CA-OG 3.45Å; S154-S157 PolarHBondContact O-OG 3.22Å |
| 158 | S | 75.6 | Confident | 71.5 | Confident | 100 Ų | 100 | 87.7 Ų | 87.7 | 70% | 0.699 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 3.1 | 175 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | A155 V156 | A155-S158 PolarHBondContact O-N 2.78Å; A155-S158 PolarHBondContact O-OG 3.03Å; V156-S158 PolarHBondContact O-N 3.05Å |
| 159 | L | 81.8 | Confident | 73.5 | Confident | 66 Ų | 66 | 88 Ų | 88 | 35% | 0.346 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -80.4 | 146.5 | 177 | -63.3 | 175.5 | 0 | 0 | 0 | 111.2 | V156 L163 | V156-L159 HydrophobicContact CG1-CD1 4.44Å; V156-L159 WeakPolarHBondContact O-CB 3.35Å; V156-L159 PolarHBondContact O-N 3.2Å; L159-L163 HydrophobicContact CB-CB 4.25Å; L159-L163 HydrophobicContact CD2-CB 4.41Å; L159-L163 HydrophobicContact CD2-CD1 4.39Å |
| 160 | T | 89.3 | Confident | 75.3 | Confident | 88 Ų | 88 | 85.2 Ų | 85.2 | 54% | 0.54 | 49% | 0.494 | S | S | . | . | trans | -67.8 | 150.8 | 166.7 | 50.8 | 0 | 0 | 0 | 0 | 110.6 | D162 L163 L164 | T160-D162 VanDerWaalsContact C-N 3.27Å; T160-D162 PolarHBondContact O-N 3.46Å; T160-D162 VanDerWaalsContact O-N 3.12Å; T160-L163 WeakPolarHBondContact O-CA 3.4Å; T160-L163 WeakPolarHBondContact O-CB 3.36Å; T160-L163 PolarHBondContact O-N 3.14Å; T160-L163 WeakPolarHBondContact OG1-CD1 3.48Å; T160-L163 WeakPolarHBondContact OG1-CG 3.41Å; T160-L164 PolarHBondContact O-N 3Å | ||
| 161 | D | 88 | Confident | 77 | Confident | 102 Ų | 102 | 83.7 Ų | 83.7 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -50.5 | -40.9 | -175.4 | -173.7 | 33.9 | 0 | 0 | 0 | 113.8 | L163 L164 K165 | D161-L163 PolarHBondContact O-N 3.35Å; D161-L164 WeakPolarHBondContact O-CB 3.4Å; D161-L164 PolarHBondContact O-N 3.32Å; D161-K165 VanDerWaalsContact CG-NZ 3.32Å; D161-K165 WeakPolarHBondContact O-CG 3.33Å; D161-K165 PolarHBondContact O-N 3.4Å; D161-K165 VanDerWaalsContact OD1-CE 3.27Å; D161-K165 WeakPolarHBondContact OD1-CE 3.31Å; D161-K165 IonicContact OD1-NZ 2.95Å; D161-K165 WeakPolarHBondContact OD2-CE 3.34Å; D161-K165 IonicContact OD2-NZ 3.94Å; D161-K165 PolarHBondContact OD2-NZ 3.21Å |
| 162 | D | 90.6 | Very high | 78.4 | Confident | 117 Ų | 117 | 85.8 Ų | 85.8 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68 | -34.1 | 177 | -60.7 | -32.5 | 0 | 0 | 0 | 113.8 | T160 K165 Y166 | T160-D162 VanDerWaalsContact C-N 3.27Å; T160-D162 PolarHBondContact O-N 3.46Å; T160-D162 VanDerWaalsContact O-N 3.12Å; D162-K165 IonicContact OD1-NZ 2.64Å; D162-K165 PolarHBondContact OD1-NZ 2.97Å; D162-Y166 WeakPolarHBondContact O-CB 3.3Å; D162-Y166 PolarHBondContact O-N 3.4Å |
| 163 | L | 87.9 | Confident | 79.7 | Confident | 93 Ų | 93 | 85 Ų | 85 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74 | -33.8 | 174.5 | -68.8 | 178.4 | 0 | 0 | 0 | 111.1 | L159 T160 D161 Y166 Y167 | L159-L163 HydrophobicContact CB-CB 4.25Å; L159-L163 HydrophobicContact CD2-CB 4.41Å; L159-L163 HydrophobicContact CD2-CD1 4.39Å; T160-L163 WeakPolarHBondContact O-CA 3.4Å; T160-L163 WeakPolarHBondContact O-CB 3.36Å; T160-L163 PolarHBondContact O-N 3.14Å; T160-L163 WeakPolarHBondContact OG1-CD1 3.48Å; T160-L163 WeakPolarHBondContact OG1-CG 3.41Å; D161-L163 PolarHBondContact O-N 3.35Å; L163-Y166 PolarHBondContact O-N 3.01Å; L163-Y167 WeakPolarHBondContact O-CB 3.47Å; L163-Y167 PolarHBondContact O-N 3.41Å |
| 164 | L | 86.2 | Confident | 81 | Confident | 48 Ų | 48 | 82 Ų | 82 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 173.6 | -178.2 | 62.1 | 0 | 0 | 0 | 111.1 | V156 T160 D161 Y167 Q168 | V156-L164 HydrophobicContact CG1-CD1 3.4Å; T160-L164 PolarHBondContact O-N 3Å; D161-L164 WeakPolarHBondContact O-CB 3.4Å; D161-L164 PolarHBondContact O-N 3.32Å; L164-Y167 PolarHBondContact O-N 3.23Å; L164-Q168 WeakPolarHBondContact O-CB 3.38Å; L164-Q168 VanDerWaalsContact O-CG 3.28Å; L164-Q168 WeakPolarHBondContact O-CG 3.39Å; L164-Q168 PolarHBondContact O-N 3.11Å |
| 165 | K | 87.4 | Confident | 81.7 | Confident | 87 Ų | 87 | 79.2 Ų | 79.2 | 38% | 0.378 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 173.4 | -70 | 166.1 | -162.4 | 153.9 | 0 | 111.8 | D161 D162 Q168 Q169 | D161-K165 VanDerWaalsContact CG-NZ 3.32Å; D161-K165 WeakPolarHBondContact O-CG 3.33Å; D161-K165 PolarHBondContact O-N 3.4Å; D161-K165 VanDerWaalsContact OD1-CE 3.27Å; D161-K165 WeakPolarHBondContact OD1-CE 3.31Å; D161-K165 IonicContact OD1-NZ 2.95Å; D161-K165 WeakPolarHBondContact OD2-CE 3.34Å; D161-K165 IonicContact OD2-NZ 3.94Å; D161-K165 PolarHBondContact OD2-NZ 3.21Å; D162-K165 IonicContact OD1-NZ 2.64Å; D162-K165 PolarHBondContact OD1-NZ 2.97Å; K165-Q168 PolarHBondContact O-N 3.19Å; K165-Q169 WeakPolarHBondContact O-CB 3.38Å; K165-Q169 VanDerWaalsContact O-CG 3.31Å; K165-Q169 WeakPolarHBondContact O-CG 3.36Å; K165-Q169 PolarHBondContact O-N 3.38Å |
| 166 | Y | 89.3 | Confident | 82.2 | Confident | 150 Ų | 150 | 77.8 Ų | 77.8 | 59% | 0.588 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60 | -47.1 | 176.3 | 175.9 | -102.1 | 0 | 0 | 0 | 111.8 | D162 L163 Q168 Q169 V170 | D162-Y166 WeakPolarHBondContact O-CB 3.3Å; D162-Y166 PolarHBondContact O-N 3.4Å; L163-Y166 PolarHBondContact O-N 3.01Å; Y166-Q168 PolarHBondContact O-N 3.28Å; Y166-Q169 PolarHBondContact O-N 3.15Å; Y166-V170 HydrophobicContact CD1-CG2 4.47Å; Y166-V170 HydrophobicContact CD2-CG2 4.34Å; Y166-V170 HydrophobicContact CE1-CG2 4.02Å; Y166-V170 HydrophobicContact CE2-CG2 3.87Å; Y166-V170 WeakPolarHBondContact O-CG2 3.43Å; Y166-V170 PolarHBondContact O-N 3.01Å |
| 167 | Y | 86.1 | Confident | 82.3 | Confident | 71 Ų | 71 | 83 Ų | 83 | 28% | 0.278 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57 | -49.1 | 175.5 | 174.2 | -102.9 | 0 | 0 | 0 | 111.5 | V156 L163 L164 Q169 V170 T171 M182 | V156-Y167 HydrophobicContact CG1-CD1 4.44Å; V156-Y167 HydrophobicContact CG1-CE1 4.42Å; V156-Y167 HydrophobicContact CG2-CE1 4Å; L163-Y167 WeakPolarHBondContact O-CB 3.47Å; L163-Y167 PolarHBondContact O-N 3.41Å; L164-Y167 PolarHBondContact O-N 3.23Å; Y167-Q169 PolarHBondContact O-N 3.32Å; Y167-V170 PolarHBondContact O-N 3.14Å; Y167-T171 HydrophobicContact CD1-CG2 4.41Å; Y167-T171 HydrophobicContact CD2-CG2 4.19Å; Y167-T171 HydrophobicContact CE1-CG2 4Å; Y167-T171 HydrophobicContact CE2-CG2 3.74Å; Y167-T171 WeakPolarHBondContact O-CG2 3.39Å; Y167-T171 PolarHBondContact O-N 2.89Å; Y167-T171 PolarHBondContact O-OG1 2.58Å; Y167-M182 HydrophobicContact CE1-CE 4.06Å |
| 168 | Q | 84 | Confident | 81.9 | Confident | 75 Ų | 75 | 82 Ų | 82 | 35% | 0.35 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 178.3 | -72.8 | 175 | 9.4 | 0 | 0 | 113.1 | L164 K165 Y166 T171 R172 | L164-Q168 WeakPolarHBondContact O-CB 3.38Å; L164-Q168 VanDerWaalsContact O-CG 3.28Å; L164-Q168 WeakPolarHBondContact O-CG 3.39Å; L164-Q168 PolarHBondContact O-N 3.11Å; K165-Q168 PolarHBondContact O-N 3.19Å; Y166-Q168 PolarHBondContact O-N 3.28Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.44Å; Q168-T171 PolarHBondContact O-OG1 3.17Å; Q168-T171 VanDerWaalsContact O-OG1 3.05Å; Q168-R172 WeakPolarHBondContact O-CB 3.19Å; Q168-R172 WeakPolarHBondContact O-CG 3.42Å; Q168-R172 PolarHBondContact O-N 2.88Å |
| 169 | Q | 86.2 | Confident | 81.1 | Confident | 129 Ų | 129 | 82.5 Ų | 82.5 | 60% | 0.603 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.5 | -44.9 | 176.3 | -74.8 | 172.7 | -5.6 | 0 | 0 | 111.4 | K165 Y166 Y167 R172 A173 | K165-Q169 WeakPolarHBondContact O-CB 3.38Å; K165-Q169 VanDerWaalsContact O-CG 3.31Å; K165-Q169 WeakPolarHBondContact O-CG 3.36Å; K165-Q169 PolarHBondContact O-N 3.38Å; Y166-Q169 PolarHBondContact O-N 3.15Å; Y167-Q169 PolarHBondContact O-N 3.32Å; Q169-R172 PolarHBondContact O-N 3.14Å; Q169-A173 WeakPolarHBondContact O-CB 3.47Å; Q169-A173 PolarHBondContact O-N 3.14Å |
| 170 | V | 86.6 | Confident | 79.6 | Confident | 62 Ų | 62 | 86.8 Ų | 86.8 | 38% | 0.376 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 177 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | Y166 Y167 A173 V174 | Y166-V170 HydrophobicContact CD1-CG2 4.47Å; Y166-V170 HydrophobicContact CD2-CG2 4.34Å; Y166-V170 HydrophobicContact CE1-CG2 4.02Å; Y166-V170 HydrophobicContact CE2-CG2 3.87Å; Y166-V170 WeakPolarHBondContact O-CG2 3.43Å; Y166-V170 PolarHBondContact O-N 3.01Å; Y167-V170 PolarHBondContact O-N 3.14Å; V170-A173 PolarHBondContact O-N 3.11Å; V170-V174 WeakPolarHBondContact O-CG2 3.35Å; V170-V174 PolarHBondContact O-N 3.14Å; V170-V174 VanDerWaalsContact O-N 3.1Å |
| 171 | T | 83.1 | Confident | 77.9 | Confident | 25 Ų | 25 | 83.9 Ų | 83.9 | 15% | 0.153 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65 | -40.7 | 177.9 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | Y167 Q168 V174 L175 M182 | Y167-T171 HydrophobicContact CD1-CG2 4.41Å; Y167-T171 HydrophobicContact CD2-CG2 4.19Å; Y167-T171 HydrophobicContact CE1-CG2 4Å; Y167-T171 HydrophobicContact CE2-CG2 3.74Å; Y167-T171 WeakPolarHBondContact O-CG2 3.39Å; Y167-T171 PolarHBondContact O-N 2.89Å; Y167-T171 PolarHBondContact O-OG1 2.58Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.44Å; Q168-T171 PolarHBondContact O-OG1 3.17Å; Q168-T171 VanDerWaalsContact O-OG1 3.05Å; T171-V174 PolarHBondContact O-N 3.42Å; T171-L175 WeakPolarHBondContact O-CB 3.34Å; T171-L175 PolarHBondContact O-N 3.02Å; T171-M182 HydrophobicContact CG2-SD 4.07Å |
| 172 | R | 82.1 | Confident | 76.3 | Confident | 134 Ų | 134 | 83.9 Ų | 83.9 | 51% | 0.506 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 174.9 | -74.1 | 179.8 | -166.6 | 154.4 | 6.4 | 112.3 | Q168 Q169 V174 G176 | Q168-R172 WeakPolarHBondContact O-CB 3.19Å; Q168-R172 WeakPolarHBondContact O-CG 3.42Å; Q168-R172 PolarHBondContact O-N 2.88Å; Q169-R172 PolarHBondContact O-N 3.14Å; R172-V174 VanDerWaalsContact C-N 3.25Å; R172-V174 PolarHBondContact O-N 2.93Å; R172-G176 WeakPolarHBondContact CA-O 3.2Å; R172-G176 CarbonylContact O-C 3.53Å; R172-G176 WeakPolarHBondContact O-CA 3.49Å; R172-G176 PolarHBondContact O-N 3.37Å |
| 173 | A | 83.2 | Confident | 74.7 | Confident | 81 Ų | 81 | 85.9 Ų | 85.9 | 67% | 0.669 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.1 | -31.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q169 V170 | Q169-A173 WeakPolarHBondContact O-CB 3.47Å; Q169-A173 PolarHBondContact O-N 3.14Å; V170-A173 PolarHBondContact O-N 3.11Å |
| 174 | V | 80.9 | Confident | 73.1 | Confident | 29 Ų | 29 | 83.3 Ų | 83.3 | 18% | 0.176 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -86 | -47.3 | 179.9 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | V170 T171 R172 R196 L197 V200 | V170-V174 WeakPolarHBondContact O-CG2 3.35Å; V170-V174 PolarHBondContact O-N 3.14Å; V170-V174 VanDerWaalsContact O-N 3.1Å; T171-V174 PolarHBondContact O-N 3.42Å; R172-V174 VanDerWaalsContact C-N 3.25Å; R172-V174 PolarHBondContact O-N 2.93Å; V174-R196 HydrophobicContact CG1-CB 4.44Å; V174-R196 WeakPolarHBondContact O-CD 3.31Å; V174-R196 PolarHBondContact O-NH1 2.95Å; V174-L197 HydrophobicContact CG1-CD2 4.32Å; V174-V200 HydrophobicContact CG1-CG2 3.88Å; V174-V200 HydrophobicContact CG2-CG2 3.74Å |
| 175 | L | 75.1 | Confident | 71.5 | Confident | 17 Ų | 17 | 88.5 Ų | 88.5 | 9% | 0.089 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -102 | -10.8 | -170 | -66.7 | 171.7 | 0 | 0 | 0 | 114.5 | T171 L181 M182 L197 | T171-L175 WeakPolarHBondContact O-CB 3.34Å; T171-L175 PolarHBondContact O-N 3.02Å; L175-L181 HydrophobicContact CB-CB 4.33Å; L175-L181 VanDerWaalsContact O-CD2 3.3Å; L175-L181 WeakPolarHBondContact O-CD2 3.47Å; L175-M182 HydrophobicContact CD1-CG 4.49Å; L175-M182 HydrophobicContact CD1-SD 4.2Å; L175-L197 HydrophobicContact CD2-CD1 4.12Å; L175-L197 HydrophobicContact CD2-CD2 4.05Å; L175-L197 HydrophobicContact CD2-CG 4.19Å |
| 176 | G | 73.2 | Confident | 70 | Confident | 29 Ų | 29 | 87.1 Ų | 87.1 | 30% | 0.299 | 45% | 0.446 | S | S | . | . | trans | 84.3 | -172.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113 | R172 D178 | R172-G176 WeakPolarHBondContact CA-O 3.2Å; R172-G176 CarbonylContact O-C 3.53Å; R172-G176 WeakPolarHBondContact O-CA 3.49Å; R172-G176 PolarHBondContact O-N 3.37Å; G176-D178 VanDerWaalsContact C-N 3.34Å; G176-D178 PolarHBondContact O-N 3.45Å | ||
| 177 | D | 64.8 | Low | 68.6 | Low | 141 Ų | 141 | 80.1 Ų | 80.1 | 75% | 0.754 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -83.2 | -2.5 | -171.6 | -69.2 | -53.8 | 0 | 0 | 0 | 115 | P179 | D177-P179 WeakPolarHBondContact O-CD 3.48Š|
| 178 | D | 59.4 | Low | 67.7 | Low | 78 Ų | 78 | 77.4 Ų | 77.4 | 42% | 0.417 | 41% | 0.41 | S | S | . | . | trans | -82.5 | 118.1 | -177.4 | -170.6 | -25.6 | 0 | 0 | 0 | 112.4 | G176 Q180 L181 | G176-D178 VanDerWaalsContact C-N 3.34Å; G176-D178 PolarHBondContact O-N 3.45Å; D178-Q180 PolarHBondContact O-N 3.35Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.42Å; D178-Q180 PolarHBondContact OD1-N 2.94Å; D178-L181 HydrophobicContact CB-CD1 3.95Å; D178-L181 HydrophobicContact CB-CD2 4.5Å; D178-L181 PolarHBondContact O-N 2.87Å | ||
| 179 | P | 57.3 | Low | 67.1 | Low | 110 Ų | 110 | 80.4 Ų | 80.4 | 71% | 0.714 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -66.6 | -13.8 | 179.3 | 28.4 | -35.7 | 0 | 0 | 0 | 114.9 | D177 | D177-P179 WeakPolarHBondContact O-CD 3.48Š|
| 180 | Q | 51.5 | Low | 66.8 | Low | 156 Ų | 156 | 76.7 Ų | 76.7 | 73% | 0.729 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -83.5 | -13.3 | -178.9 | -59.1 | -162.8 | -8.4 | 0 | 0 | 114.2 | D178 M182 S186 | D178-Q180 PolarHBondContact O-N 3.35Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.42Å; D178-Q180 PolarHBondContact OD1-N 2.94Å; Q180-M182 VanDerWaalsContact C-N 3.28Å; Q180-M182 PolarHBondContact O-N 3.11Å; Q180-S186 PolarHBondContact O-OG 2.69Å; Q180-S186 VanDerWaalsContact O-OG 3.05Å |
| 181 | L | 52.8 | Low | 66.5 | Low | 27 Ų | 27 | 75.6 Ų | 75.6 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -80.2 | 0.8 | -175.5 | -92.2 | 59 | 0 | 0 | 0 | 115.1 | L175 D178 K183 V187 Q193 | L175-L181 HydrophobicContact CB-CB 4.33Å; L175-L181 VanDerWaalsContact O-CD2 3.3Å; L175-L181 WeakPolarHBondContact O-CD2 3.47Å; D178-L181 HydrophobicContact CB-CD1 3.95Å; D178-L181 HydrophobicContact CB-CD2 4.5Å; D178-L181 PolarHBondContact O-N 2.87Å; L181-K183 PolarHBondContact O-N 2.99Å; L181-V187 HydrophobicContact CB-CG2 4.26Å; L181-V187 HydrophobicContact CG-CG2 4.11Å; L181-V187 WeakPolarHBondContact O-CG2 3.35Å; L181-Q193 VanDerWaalsContact CD2-CD 3.5Å |
| 182 | M | 55.5 | Low | 66.5 | Low | 103 Ų | 103 | 80.9 Ų | 80.9 | 51% | 0.507 | 42% | 0.423 | S | S | . | . | trans | -68.6 | 9.5 | -175.1 | -68.4 | -90.8 | -109.1 | 0 | 0 | 115.5 | Y167 T171 L175 Q180 | Y167-M182 HydrophobicContact CE1-CE 4.06Å; T171-M182 HydrophobicContact CG2-SD 4.07Å; L175-M182 HydrophobicContact CD1-CG 4.49Å; L175-M182 HydrophobicContact CD1-SD 4.2Å; Q180-M182 VanDerWaalsContact C-N 3.28Å; Q180-M182 PolarHBondContact O-N 3.11Å | ||
| 183 | K | 56.9 | Low | 66.6 | Low | 159 Ų | 159 | 75.9 Ų | 75.9 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -130.3 | 127.8 | 173.3 | -72.6 | 176.9 | -179.3 | 169.6 | 0 | 109.9 | L181 K185 S186 V187 | L181-K183 PolarHBondContact O-N 2.99Å; K183-K185 PolarHBondContact O-N 2.94Å; K183-S186 PolarHBondContact O-N 3.38Å; K183-S186 PolarHBondContact O-OG 3.45Å; K183-V187 WeakPolarHBondContact O-CG2 3.29Å |
| 184 | V | 53.1 | Low | 66.7 | Low | 39 Ų | 39 | 72 Ų | 72 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -50.7 | -31.7 | 174.6 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | V187 L194 L197 Y225 | V184-V187 PolarHBondContact O-N 2.95Å; V184-L194 HydrophobicContact CG1-CD2 4.01Å; V184-L197 HydrophobicContact CG2-CD1 4.35Å; V184-Y225 HydrophobicContact CG1-CD1 4.09Å; V184-Y225 HydrophobicContact CG1-CE1 4.49Å |
| 185 | K | 52.8 | Low | 66.9 | Low | 157 Ų | 157 | 73.6 Ų | 73.6 | 68% | 0.683 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -72.7 | -20.1 | 177.5 | -65.5 | -169.7 | 175.5 | -169.9 | 0 | 115.5 | K183 Y225 | K183-K185 PolarHBondContact O-N 2.94Å; K185-Y225 HydrophobicContact CG-CE2 4.19Å |
| 186 | S | 56.6 | Low | 67.5 | Low | 58 Ų | 58 | 76.9 Ų | 76.9 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -89.4 | -5.2 | 170.6 | 45.8 | 0 | 0 | 0 | 0 | 112.8 | Q180 K183 | Q180-S186 PolarHBondContact O-OG 2.69Å; Q180-S186 VanDerWaalsContact O-OG 3.05Å; K183-S186 PolarHBondContact O-N 3.38Å; K183-S186 PolarHBondContact O-OG 3.45Å |
| 187 | V | 59.8 | Low | 68.3 | Low | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.012 | 39% | 0.386 | C | S | . | . | trans | -101.9 | 10.6 | -175.8 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | L181 K183 V184 H189 D190 Q193 L194 L197 | L181-V187 HydrophobicContact CB-CG2 4.26Å; L181-V187 HydrophobicContact CG-CG2 4.11Å; L181-V187 WeakPolarHBondContact O-CG2 3.35Å; K183-V187 WeakPolarHBondContact O-CG2 3.29Å; V184-V187 PolarHBondContact O-N 2.95Å; V187-H189 PolarHBondContact O-N 3.31Å; V187-D190 PolarHBondContact O-N 2.88Å; V187-Q193 HydrophobicContact CG1-CB 3.44Å; V187-Q193 VanDerWaalsContact CG1-CB 3.44Å; V187-Q193 HydrophobicContact CG1-CG 4.48Å; V187-L194 HydrophobicContact CB-CD2 4.31Å; V187-L194 HydrophobicContact CG1-CD2 4.03Å; V187-L194 HydrophobicContact CG1-CG 4.12Å; V187-L197 HydrophobicContact CG1-CD1 4.3Å | ||
| 188 | S | 66.1 | Low | 69.4 | Low | 15 Ų | 15 | 71.4 Ų | 71.4 | 11% | 0.105 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -9.1 | -176.3 | 59.4 | 0 | 0 | 0 | 0 | 115.5 | A232 A233 | S188-A232 PolarHBondContact O-N 3.41Å; S188-A233 PolarHBondContact O-N 2.86Å |
| 189 | H | 71.3 | Confident | 70.9 | Confident | 137 Ų | 137 | 70.8 Ų | 70.8 | 63% | 0.634 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -24.8 | -178.4 | -60.7 | -91.2 | 0 | 0 | 0 | 113.9 | V187 A232 | V187-H189 PolarHBondContact O-N 3.31Å; H189-A232 WeakPolarHBondContact CE1-CB 3.4Å; H189-A232 VanDerWaalsContact ND1-CB 3.25Å; H189-A232 WeakPolarHBondContact ND1-CB 3.41Å |
| 190 | D | 80.1 | Confident | 72.5 | Confident | 51 Ų | 51 | 67.9 Ų | 67.9 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | trans | -110 | 113.9 | -175.5 | -176.1 | -32.6 | 0 | 0 | 0 | 110.7 | V187 E192 Q193 L194 | V187-D190 PolarHBondContact O-N 2.88Å; D190-E192 WeakPolarHBondContact OD1-CA 3.16Å; D190-E192 WeakPolarHBondContact OD1-CB 3.46Å; D190-E192 PolarHBondContact OD1-N 3.09Å; D190-Q193 HydrophobicContact CB-CB 4.13Å; D190-Q193 HydrophobicContact CB-CG 4.06Å; D190-Q193 VanDerWaalsContact CG-CD 3.45Å; D190-Q193 VanDerWaalsContact CG-CG 3.44Å; D190-Q193 PolarHBondContact OD1-N 3.12Å; D190-Q193 VanDerWaalsContact OD2-CG 3.28Å; D190-Q193 WeakPolarHBondContact OD2-CG 3.34Å; D190-Q193 PolarHBondContact OD2-NE2 2.55Å; D190-L194 WeakPolarHBondContact O-CG 3.21Å; D190-L194 PolarHBondContact O-N 3.44Å | ||
| 191 | L | 81.9 | Confident | 74.4 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.4 | -33.6 | -177.4 | -146.6 | 94.1 | 0 | 0 | 0 | 113.1 | L194 H195 A233 D240 H241 L244 | L191-L194 PolarHBondContact O-N 3.34Å; L191-H195 WeakPolarHBondContact O-CB 3.32Å; L191-H195 PolarHBondContact O-N 2.64Å; L191-A233 HydrophobicContact CD1-CB 3.75Å; L191-D240 VanDerWaalsContact CD2-O 3.26Å; L191-D240 WeakPolarHBondContact CD2-O 3.3Å; L191-H241 HydrophobicContact CD1-CB 3.72Å; L191-L244 HydrophobicContact CG-CD1 4.4Å |
| 192 | E | 82.7 | Confident | 76.2 | Confident | 137 Ų | 137 | 63.2 Ų | 63.2 | 64% | 0.64 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.1 | -37.5 | -178.7 | -61 | -171.8 | 171.9 | 0 | 0 | 111.4 | D190 H195 R196 | D190-E192 WeakPolarHBondContact OD1-CA 3.16Å; D190-E192 WeakPolarHBondContact OD1-CB 3.46Å; D190-E192 PolarHBondContact OD1-N 3.09Å; E192-H195 PolarHBondContact O-N 3.09Å; E192-R196 WeakPolarHBondContact O-CB 3.36Å; E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 3.17Å; E192-R196 PolarHBondContact O-NE 3.42Å; E192-R196 IonicContact OE2-NH2 3.73Å |
| 193 | Q | 82.9 | Confident | 77.8 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 175.3 | -67.7 | 173.3 | 16.8 | 0 | 0 | 111.5 | L181 V187 D190 H195 R196 L197 | L181-Q193 VanDerWaalsContact CD2-CD 3.5Å; V187-Q193 HydrophobicContact CG1-CB 3.44Å; V187-Q193 VanDerWaalsContact CG1-CB 3.44Å; V187-Q193 HydrophobicContact CG1-CG 4.48Å; D190-Q193 HydrophobicContact CB-CB 4.13Å; D190-Q193 HydrophobicContact CB-CG 4.06Å; D190-Q193 VanDerWaalsContact CG-CD 3.45Å; D190-Q193 VanDerWaalsContact CG-CG 3.44Å; D190-Q193 PolarHBondContact OD1-N 3.12Å; D190-Q193 VanDerWaalsContact OD2-CG 3.28Å; D190-Q193 WeakPolarHBondContact OD2-CG 3.34Å; D190-Q193 PolarHBondContact OD2-NE2 2.55Å; Q193-H195 VanDerWaalsContact C-N 3.3Å; Q193-H195 PolarHBondContact O-N 2.97Å; Q193-R196 PolarHBondContact O-N 3.18Å; Q193-L197 WeakPolarHBondContact O-CB 3.46Å; Q193-L197 WeakPolarHBondContact O-CG 3.44Å; Q193-L197 PolarHBondContact O-N 3.08Å |
| 194 | L | 85.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 171.8 | -68.8 | 174 | 0 | 0 | 0 | 111.3 | V184 V187 D190 L191 L197 L198 L231 L244 | V184-L194 HydrophobicContact CG1-CD2 4.01Å; V187-L194 HydrophobicContact CB-CD2 4.31Å; V187-L194 HydrophobicContact CG1-CD2 4.03Å; V187-L194 HydrophobicContact CG1-CG 4.12Å; D190-L194 WeakPolarHBondContact O-CG 3.21Å; D190-L194 PolarHBondContact O-N 3.44Å; L191-L194 PolarHBondContact O-N 3.34Å; L194-L197 PolarHBondContact O-N 3.41Å; L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.89Å; L194-L231 HydrophobicContact CD1-CD1 3.85Å; L194-L231 HydrophobicContact CD1-CD2 3.94Å; L194-L231 HydrophobicContact CD1-CG 4.43Å; L194-L244 HydrophobicContact CB-CD1 3.73Å; L194-L244 HydrophobicContact CB-CD2 4.25Å; L194-L244 HydrophobicContact CD1-CD2 4.21Å |
| 195 | H | 86.5 | Confident | 81.2 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 29% | 0.292 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.3 | -164.8 | 99.1 | 0 | 0 | 0 | 111.8 | L191 E192 Q193 L197 L198 Q199 L244 | L191-H195 WeakPolarHBondContact O-CB 3.32Å; L191-H195 PolarHBondContact O-N 2.64Å; E192-H195 PolarHBondContact O-N 3.09Å; Q193-H195 VanDerWaalsContact C-N 3.3Å; Q193-H195 PolarHBondContact O-N 2.97Å; H195-L197 VanDerWaalsContact C-N 3.3Å; H195-L197 PolarHBondContact O-N 3.45Å; H195-L198 PolarHBondContact O-N 3.34Å; H195-L198 VanDerWaalsContact O-N 3.17Å; H195-Q199 PolarHBondContact NE2-NE2 3.39Å; H195-Q199 WeakPolarHBondContact O-CG 3.15Å; H195-Q199 PolarHBondContact O-N 2.95Å; H195-L244 HydrophobicContact CB-CD1 4.14Å |
| 196 | R | 87.9 | Confident | 82.9 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 174.7 | -78.9 | 179.6 | -87.1 | 169.2 | -18.8 | 112 | V174 E192 Q193 Q199 V200 | V174-R196 HydrophobicContact CG1-CB 4.44Å; V174-R196 WeakPolarHBondContact O-CD 3.31Å; V174-R196 PolarHBondContact O-NH1 2.95Å; E192-R196 WeakPolarHBondContact O-CB 3.36Å; E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 3.17Å; E192-R196 PolarHBondContact O-NE 3.42Å; E192-R196 IonicContact OE2-NH2 3.73Å; Q193-R196 PolarHBondContact O-N 3.18Å; R196-Q199 PolarHBondContact O-N 2.89Å; R196-V200 WeakPolarHBondContact O-CG2 3.47Å; R196-V200 PolarHBondContact O-N 2.82Å |
| 197 | L | 88.1 | Confident | 84.4 | Confident | 41 Ų | 41 | 57 Ų | 57 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 176.5 | -75.7 | 168 | 0 | 0 | 0 | 112.9 | V174 L175 V184 V187 Q193 L194 H195 V200 A201 | V174-L197 HydrophobicContact CG1-CD2 4.32Å; L175-L197 HydrophobicContact CD2-CD1 4.12Å; L175-L197 HydrophobicContact CD2-CD2 4.05Å; L175-L197 HydrophobicContact CD2-CG 4.19Å; V184-L197 HydrophobicContact CG2-CD1 4.35Å; V187-L197 HydrophobicContact CG1-CD1 4.3Å; Q193-L197 WeakPolarHBondContact O-CB 3.46Å; Q193-L197 WeakPolarHBondContact O-CG 3.44Å; Q193-L197 PolarHBondContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 3.41Å; H195-L197 VanDerWaalsContact C-N 3.3Å; H195-L197 PolarHBondContact O-N 3.45Å; L197-V200 PolarHBondContact O-N 3.39Å; L197-A201 PolarHBondContact O-N 3.4Å |
| 198 | L | 89.7 | Confident | 85.7 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 173.3 | -68.7 | 169.9 | 0 | 0 | 0 | 111.9 | L194 H195 A201 R202 V223 C226 L244 A248 L251 | L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.89Å; H195-L198 PolarHBondContact O-N 3.34Å; H195-L198 VanDerWaalsContact O-N 3.17Å; L198-A201 PolarHBondContact O-N 3.37Å; L198-R202 WeakPolarHBondContact O-CB 3.4Å; L198-R202 PolarHBondContact O-N 3.01Å; L198-V223 HydrophobicContact CD2-CG2 4.36Å; L198-C226 HydrophobicContact CD2-CB 4.41Å; L198-L244 HydrophobicContact CD1-CD1 3.87Å; L198-L244 HydrophobicContact CD1-CG 3.97Å; L198-A248 HydrophobicContact CD1-CB 3.89Å; L198-A248 HydrophobicContact CD2-CB 3.95Å; L198-L251 HydrophobicContact CB-CD2 4.36Å; L198-L251 HydrophobicContact CD2-CD2 3.93Å; L198-L251 WeakPolarHBondContact O-CD2 3.35Å |
| 199 | Q | 90.1 | Very high | 86.6 | Confident | 65 Ų | 65 | 69.7 Ų | 69.7 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.6 | -35.9 | 173.9 | -60.6 | -57.3 | -14.8 | 0 | 0 | 112.6 | H195 R196 R202 S203 | H195-Q199 PolarHBondContact NE2-NE2 3.39Å; H195-Q199 WeakPolarHBondContact O-CG 3.15Å; H195-Q199 PolarHBondContact O-N 2.95Å; R196-Q199 PolarHBondContact O-N 2.89Å; Q199-R202 PolarHBondContact O-N 3.12Å; Q199-S203 PolarHBondContact O-N 3.27Å; Q199-S203 PolarHBondContact O-OG 3.15Å |
| 200 | V | 90.4 | Very high | 87.2 | Confident | 50 Ų | 50 | 66.9 Ų | 66.9 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 172 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | V174 R196 L197 R202 S203 L204 | V174-V200 HydrophobicContact CG1-CG2 3.88Å; V174-V200 HydrophobicContact CG2-CG2 3.74Å; R196-V200 WeakPolarHBondContact O-CG2 3.47Å; R196-V200 PolarHBondContact O-N 2.82Å; L197-V200 PolarHBondContact O-N 3.39Å; V200-R202 VanDerWaalsContact C-N 3.34Å; V200-R202 PolarHBondContact O-N 3.02Å; V200-S203 PolarHBondContact O-N 2.88Å; V200-S203 PolarHBondContact O-OG 2.87Å; V200-L204 HydrophobicContact CG1-CD1 4.06Å; V200-L204 HydrophobicContact CG1-CG 4.43Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.22Å |
| 201 | A | 90.9 | Very high | 87.2 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L197 L198 S203 L204 I205 L219 L251 | L197-A201 PolarHBondContact O-N 3.4Å; L198-A201 PolarHBondContact O-N 3.37Å; A201-S203 PolarHBondContact O-N 3.41Å; A201-L204 PolarHBondContact O-N 2.99Å; A201-I205 WeakPolarHBondContact O-CD1 3.47Å; A201-I205 VanDerWaalsContact O-CG1 3.27Å; A201-I205 WeakPolarHBondContact O-CG1 3.33Å; A201-I205 PolarHBondContact O-N 3.38Å; A201-I205 VanDerWaalsContact O-N 3.09Å; A201-L219 HydrophobicContact CB-CD1 3.84Å; A201-L251 HydrophobicContact CB-CD2 3.82Å |
| 202 | R | 90.8 | Very high | 87 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 29% | 0.291 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 176.4 | -166.9 | 178.8 | -173.4 | -174.9 | 3.7 | 112.7 | L198 Q199 V200 R206 L251 | L198-R202 WeakPolarHBondContact O-CB 3.4Å; L198-R202 PolarHBondContact O-N 3.01Å; Q199-R202 PolarHBondContact O-N 3.12Å; V200-R202 VanDerWaalsContact C-N 3.34Å; V200-R202 PolarHBondContact O-N 3.02Å; R202-R206 WeakPolarHBondContact O-CG 3.43Å; R202-R206 PolarHBondContact O-N 3.37Å; R202-R206 VanDerWaalsContact O-N 3.11Å; R202-L251 HydrophobicContact CB-CD1 3.81Å; R202-L251 HydrophobicContact CG-CD1 4.07Å |
| 203 | S | 90.9 | Very high | 86.6 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 49% | 0.49 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.4 | -35.1 | -179.8 | 71 | 0 | 0 | 0 | 0 | 112.8 | Q199 V200 A201 R206 N207 | Q199-S203 PolarHBondContact O-N 3.27Å; Q199-S203 PolarHBondContact O-OG 3.15Å; V200-S203 PolarHBondContact O-N 2.88Å; V200-S203 PolarHBondContact O-OG 2.87Å; A201-S203 PolarHBondContact O-N 3.41Å; S203-R206 PolarHBondContact O-N 3.41Å; S203-N207 PolarHBondContact O-N 3.3Å |
| 204 | L | 90.2 | Very high | 86.2 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 172.4 | -70.9 | 170.6 | 0 | 0 | 0 | 111.9 | V200 A201 N207 L210 | V200-L204 HydrophobicContact CG1-CD1 4.06Å; V200-L204 HydrophobicContact CG1-CG 4.43Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.22Å; A201-L204 PolarHBondContact O-N 2.99Å; L204-N207 WeakPolarHBondContact O-CB 3.45Å; L204-N207 PolarHBondContact O-N 3.2Å; L204-L210 HydrophobicContact CD2-CD1 3.77Å |
| 205 | I | 89.4 | Confident | 86 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 178.9 | -65 | 152.4 | 0 | 0 | 0 | 111.8 | A201 N207 L212 L219 L251 I255 | A201-I205 WeakPolarHBondContact O-CD1 3.47Å; A201-I205 VanDerWaalsContact O-CG1 3.27Å; A201-I205 WeakPolarHBondContact O-CG1 3.33Å; A201-I205 PolarHBondContact O-N 3.38Å; A201-I205 VanDerWaalsContact O-N 3.09Å; I205-N207 PolarHBondContact O-N 3.13Å; I205-L212 HydrophobicContact CG1-CD1 4.1Å; I205-L219 HydrophobicContact CD1-CD2 3.95Å; I205-L219 HydrophobicContact CG1-CD2 3.88Å; I205-L251 HydrophobicContact CD1-CD1 3.75Å; I205-L251 HydrophobicContact CD1-CG 4.47Å; I205-I255 HydrophobicContact CD1-CD1 3.77Å; I205-I255 HydrophobicContact CD1-CG1 3.29Å; I205-I255 HydrophobicContact CG1-CG1 4.16Å |
| 206 | R | 89.4 | Confident | 86 | Confident | 172 Ų | 172 | 68.5 Ų | 68.5 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -5.4 | 179.1 | -68.6 | 179.6 | 98.1 | 179.1 | 9.1 | 113.7 | R202 S203 P208 | R202-R206 WeakPolarHBondContact O-CG 3.43Å; R202-R206 PolarHBondContact O-N 3.37Å; R202-R206 VanDerWaalsContact O-N 3.11Å; S203-R206 PolarHBondContact O-N 3.41Å; R206-P208 VanDerWaalsContact O-CD 3.3Å; R206-P208 WeakPolarHBondContact O-CD 3.45Å |
| 207 | N | 89.2 | Confident | 85.9 | Confident | 61 Ų | 61 | 69.6 Ų | 69.6 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | trans | -85.9 | 109.4 | -177.3 | -171.8 | -16.8 | 0 | 0 | 0 | 111.8 | S203 L204 I205 H209 L210 | S203-N207 PolarHBondContact O-N 3.3Å; L204-N207 WeakPolarHBondContact O-CB 3.45Å; L204-N207 PolarHBondContact O-N 3.2Å; I205-N207 PolarHBondContact O-N 3.13Å; N207-H209 PolarHBondContact O-N 2.84Å; N207-H209 VanDerWaalsContact O-N 3.09Å; N207-H209 WeakPolarHBondContact OD1-CB 3.4Å; N207-H209 PolarHBondContact OD1-N 3.28Å; N207-L210 HydrophobicContact CB-CB 4.5Å; N207-L210 HydrophobicContact CB-CD1 4Å; N207-L210 HydrophobicContact CB-CG 4.18Å; N207-L210 PolarHBondContact O-N 3.34Å | ||
| 208 | P | 85.6 | Confident | 85.8 | Confident | 115 Ų | 115 | 71.6 Ų | 71.6 | 75% | 0.747 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -6.1 | -177.2 | 32.8 | -38 | 0 | 0 | 0 | 113.8 | R206 | R206-P208 VanDerWaalsContact O-CD 3.3Å; R206-P208 WeakPolarHBondContact O-CD 3.45Å |
| 209 | H | 85.8 | Confident | 85.7 | Confident | 168 Ų | 168 | 72.5 Ų | 72.5 | 78% | 0.778 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 2.7 | -179.8 | -57.5 | -60.2 | 0 | 0 | 0 | 113.5 | N207 | N207-H209 PolarHBondContact O-N 2.84Å; N207-H209 VanDerWaalsContact O-N 3.09Å; N207-H209 WeakPolarHBondContact OD1-CB 3.4Å; N207-H209 PolarHBondContact OD1-N 3.28Å |
| 210 | L | 84 | Confident | 85.8 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 40% | 0.403 | 37% | 0.368 | S | S | . | . | trans | -112.6 | 127.1 | 179 | -65.5 | 179.3 | 0 | 0 | 0 | 112.3 | L204 N207 L212 | L204-L210 HydrophobicContact CD2-CD1 3.77Å; N207-L210 HydrophobicContact CB-CB 4.5Å; N207-L210 HydrophobicContact CB-CD1 4Å; N207-L210 HydrophobicContact CB-CG 4.18Å; N207-L210 PolarHBondContact O-N 3.34Å; L210-L212 PolarHBondContact O-N 3.37Å | ||
| 211 | C | 79.8 | Confident | 85.7 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 68% | 0.682 | 37% | 0.372 | S | S | * | . | trans | -91.8 | 83.8 | 176.3 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | L140 G213 | L140-C211 HydrophobicContact CD1-CB 4.19Å; C211-G213 VanDerWaalsContact C-N 3.27Å; C211-G213 PolarHBondContact O-N 3.33Å | ||
| 212 | L | 76.6 | Confident | 85.6 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 13% | 0.131 | 38% | 0.383 | C | S | . | . | trans | -71 | -13.9 | -176.3 | -68.5 | 171.8 | 0 | 0 | 0 | 115.2 | I205 L210 P214 Y215 V216 | I205-L212 HydrophobicContact CG1-CD1 4.1Å; L210-L212 PolarHBondContact O-N 3.37Å; L212-P214 VanDerWaalsContact O-N 3.1Å; L212-Y215 WeakPolarHBondContact O-CA 3.25Å; L212-Y215 WeakPolarHBondContact O-CB 3.36Å; L212-Y215 PolarHBondContact O-N 3.45Å; L212-V216 HydrophobicContact CB-CG2 3.92Å; L212-V216 PolarHBondContact O-N 3.16Å; L212-V216 VanDerWaalsContact O-N 3.15Å | ||
| 213 | G | 75.3 | Confident | 85.7 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -22.9 | -68.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | C211 Y215 V216 | C211-G213 VanDerWaalsContact C-N 3.27Å; C211-G213 PolarHBondContact O-N 3.33Å; G213-Y215 VanDerWaalsContact C-N 3.3Å; G213-Y215 PolarHBondContact O-N 2.84Å; G213-V216 PolarHBondContact O-N 3.13Å |
| 214 | P | 74.7 | Confident | 85.7 | Confident | 78 Ų | 78 | 64.2 Ų | 64.2 | 51% | 0.506 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -67.8 | -27.4 | -177.7 | 27.3 | -34.4 | 0 | 0 | 0 | 113.8 | L212 | L212-P214 VanDerWaalsContact O-N 3.1Š|
| 215 | Y | 81.6 | Confident | 85.7 | Confident | 118 Ų | 118 | 63 Ų | 63 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -85.6 | -15.7 | -177.2 | -52.9 | -68.4 | 0 | 0 | 0 | 113.6 | Q149 L212 G213 R217 S218 L219 | Q149-Y215 PolarHBondContact OE1-OH 3.46Å; L212-Y215 WeakPolarHBondContact O-CA 3.25Å; L212-Y215 WeakPolarHBondContact O-CB 3.36Å; L212-Y215 PolarHBondContact O-N 3.45Å; G213-Y215 VanDerWaalsContact C-N 3.3Å; G213-Y215 PolarHBondContact O-N 2.84Å; Y215-R217 VanDerWaalsContact C-N 3.28Å; Y215-R217 PolarHBondContact O-N 3Å; Y215-S218 WeakPolarHBondContact O-CB 3.34Å; Y215-S218 PolarHBondContact O-N 3.09Å; Y215-L219 PolarHBondContact O-N 3.28Å |
| 216 | V | 85.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -53.7 | -41.6 | -178.8 | 175.7 | 0 | 0 | 0 | 0 | 112 | L212 G213 S218 L219 V220 I255 H259 V263 L266 | L212-V216 HydrophobicContact CB-CG2 3.92Å; L212-V216 PolarHBondContact O-N 3.16Å; L212-V216 VanDerWaalsContact O-N 3.15Å; G213-V216 PolarHBondContact O-N 3.13Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 2.92Å; V216-L219 PolarHBondContact O-N 3.47Å; V216-V220 HydrophobicContact CG1-CG2 4.26Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 WeakPolarHBondContact O-CG2 3.39Å; V216-V220 PolarHBondContact O-N 3.3Å; V216-I255 HydrophobicContact CG1-CG2 3.84Å; V216-H259 HydrophobicContact CG1-CB 4.2Å; V216-H259 HydrophobicContact CG2-CB 4.17Å; V216-V263 HydrophobicContact CB-CG2 3.96Å; V216-V263 HydrophobicContact CG1-CG2 4.04Å; V216-V263 HydrophobicContact CG2-CG2 4.43Å; V216-L266 HydrophobicContact CG1-CD2 3.94Å |
| 217 | R | 85.4 | Confident | 85.8 | Confident | 108 Ų | 108 | 54.4 Ų | 54.4 | 41% | 0.408 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 177.2 | -68.1 | -167.1 | -177.7 | 98.8 | -1.7 | 112.9 | Y215 G221 V263 S264 L266 | Y215-R217 VanDerWaalsContact C-N 3.28Å; Y215-R217 PolarHBondContact O-N 3Å; R217-G221 PolarHBondContact O-N 3.03Å; R217-V263 HydrophobicContact CG-CG1 3.64Å; R217-S264 PolarHBondContact NH2-O 3.38Å; R217-L266 HydrophobicContact CG-CD1 4.4Å |
| 218 | S | 86.2 | Confident | 85.8 | Confident | 83 Ų | 83 | 52 Ų | 52 | 58% | 0.58 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71.7 | -39.7 | 177.5 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | Y215 V216 G221 S222 | Y215-S218 WeakPolarHBondContact O-CB 3.34Å; Y215-S218 PolarHBondContact O-N 3.09Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 2.92Å; S218-G221 PolarHBondContact O-N 3.25Å; S218-S222 PolarHBondContact O-N 3.23Å; S218-S222 PolarHBondContact O-OG 3.49Å |
| 219 | L | 88.8 | Confident | 85.9 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -46.8 | 174.8 | -171.7 | 61.9 | 0 | 0 | 0 | 111.2 | A201 I205 Y215 V216 G221 S222 V223 I255 | A201-L219 HydrophobicContact CB-CD1 3.84Å; I205-L219 HydrophobicContact CD1-CD2 3.95Å; I205-L219 HydrophobicContact CG1-CD2 3.88Å; Y215-L219 PolarHBondContact O-N 3.28Å; V216-L219 PolarHBondContact O-N 3.47Å; L219-G221 VanDerWaalsContact C-N 3.32Å; L219-G221 PolarHBondContact O-N 2.87Å; L219-S222 WeakPolarHBondContact O-CA 3.39Å; L219-S222 WeakPolarHBondContact O-CB 3.44Å; L219-S222 PolarHBondContact O-N 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.08Å; L219-I255 HydrophobicContact CD2-CD1 4.48Å; L219-I255 HydrophobicContact CG-CD1 4.45Å |
| 220 | V | 90.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 174.3 | 166.4 | 0 | 0 | 0 | 0 | 111.4 | V216 S222 V223 L224 L252 I255 L266 I270 | V216-V220 HydrophobicContact CG1-CG2 4.26Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 WeakPolarHBondContact O-CG2 3.39Å; V216-V220 PolarHBondContact O-N 3.3Å; V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 PolarHBondContact O-N 3.05Å; V220-V223 PolarHBondContact O-N 3.41Å; V220-L224 HydrophobicContact CG1-CD1 3.74Å; V220-L224 HydrophobicContact CG1-CG 4.2Å; V220-L224 VanDerWaalsContact O-CB 3.3Å; V220-L224 WeakPolarHBondContact O-CB 3.25Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.29Å; V220-L224 PolarHBondContact O-N 2.92Å; V220-L252 HydrophobicContact CG1-CD1 3.86Å; V220-L252 HydrophobicContact CG2-CD1 4.43Å; V220-I255 HydrophobicContact CG2-CB 4.37Å; V220-I255 HydrophobicContact CG2-CD1 4.23Å; V220-I255 HydrophobicContact CG2-CG2 3.55Å; V220-L266 HydrophobicContact CB-CD1 4.32Å; V220-L266 HydrophobicContact CG1-CD1 4.15Å; V220-L266 HydrophobicContact CG2-CD1 4.17Å; V220-L266 HydrophobicContact CG2-CD2 4.43Å; V220-I270 HydrophobicContact CG1-CD1 4Å; V220-I270 HydrophobicContact CG1-CG1 3.79Å |
| 221 | G | 89.8 | Confident | 85.5 | Confident | 36 Ų | 36 | 41.2 Ų | 41.2 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60 | -37.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R217 S218 L219 Y225 | R217-G221 PolarHBondContact O-N 3.03Å; S218-G221 PolarHBondContact O-N 3.25Å; L219-G221 VanDerWaalsContact C-N 3.32Å; L219-G221 PolarHBondContact O-N 2.87Å; G221-Y225 PolarHBondContact O-N 3.19Å; G221-Y225 VanDerWaalsContact O-N 3.07Å |
| 222 | S | 88.5 | Confident | 85.2 | Confident | 45 Ų | 45 | 37.7 Ų | 37.7 | 32% | 0.315 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.6 | -38.5 | 176.5 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | S218 L219 V220 Y225 C226 | S218-S222 PolarHBondContact O-N 3.23Å; S218-S222 PolarHBondContact O-OG 3.49Å; L219-S222 WeakPolarHBondContact O-CA 3.39Å; L219-S222 WeakPolarHBondContact O-CB 3.44Å; L219-S222 PolarHBondContact O-N 3.29Å; V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 PolarHBondContact O-N 3.05Å; S222-Y225 WeakPolarHBondContact O-CB 3.15Å; S222-Y225 PolarHBondContact O-N 2.86Å; S222-C226 PolarHBondContact O-N 3.46Å |
| 223 | V | 92.4 | Very high | 85 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.1 | -42.8 | 174.9 | 177.8 | 0 | 0 | 0 | 0 | 111 | L198 L219 V220 Y225 C226 V227 A248 L251 L252 I255 | L198-V223 HydrophobicContact CD2-CG2 4.36Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.08Å; V220-V223 PolarHBondContact O-N 3.41Å; V223-Y225 VanDerWaalsContact C-N 3.26Å; V223-Y225 PolarHBondContact O-N 3.42Å; V223-C226 WeakPolarHBondContact O-CB 3.34Å; V223-C226 PolarHBondContact O-N 2.64Å; V223-C226 VanDerWaalsContact O-N 3.09Å; V223-V227 HydrophobicContact CG1-CG2 4.42Å; V223-V227 WeakPolarHBondContact O-CG2 3.18Å; V223-V227 PolarHBondContact O-N 3.45Å; V223-A248 HydrophobicContact CG1-CB 4.24Å; V223-A248 WeakPolarHBondContact CG1-O 3.19Å; V223-L251 HydrophobicContact CG2-CD2 3.96Å; V223-L251 HydrophobicContact CG2-CG 4.45Å; V223-L252 HydrophobicContact CG1-CB 3.95Å; V223-I255 HydrophobicContact CG2-CD1 4.03Å |
| 224 | L | 90.8 | Very high | 85 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -33.5 | 174.8 | -77.7 | 170.4 | 0 | 0 | 0 | 112.5 | V220 V227 L228 L252 I270 L274 | V220-L224 HydrophobicContact CG1-CD1 3.74Å; V220-L224 HydrophobicContact CG1-CG 4.2Å; V220-L224 VanDerWaalsContact O-CB 3.3Å; V220-L224 WeakPolarHBondContact O-CB 3.25Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.29Å; V220-L224 PolarHBondContact O-N 2.92Å; L224-V227 PolarHBondContact O-N 3.34Å; L224-L228 HydrophobicContact CD2-CD1 3.89Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 PolarHBondContact O-N 3.17Å; L224-L252 HydrophobicContact CD2-CD1 4.33Å; L224-L252 HydrophobicContact CD2-CD2 3.66Å; L224-L252 HydrophobicContact CG-CD1 4.24Å; L224-L252 HydrophobicContact CG-CD2 4.42Å; L224-I270 HydrophobicContact CD1-CG1 4.48Å; L224-L274 HydrophobicContact CD2-CD2 4.46Å |
| 225 | Y | 89.8 | Confident | 85.1 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 171.8 | -179 | -97.4 | 0 | 0 | 0 | 111.3 | V184 K185 G221 S222 V223 V227 E229 L231 | V184-Y225 HydrophobicContact CG1-CD1 4.09Å; V184-Y225 HydrophobicContact CG1-CE1 4.49Å; K185-Y225 HydrophobicContact CG-CE2 4.19Å; G221-Y225 PolarHBondContact O-N 3.19Å; G221-Y225 VanDerWaalsContact O-N 3.07Å; S222-Y225 WeakPolarHBondContact O-CB 3.15Å; S222-Y225 PolarHBondContact O-N 2.86Å; V223-Y225 VanDerWaalsContact C-N 3.26Å; V223-Y225 PolarHBondContact O-N 3.42Å; Y225-V227 VanDerWaalsContact C-N 3.32Å; Y225-V227 PolarHBondContact O-N 2.84Å; Y225-E229 HydrophobicContact CD2-CB 3.93Å; Y225-E229 HydrophobicContact CD2-CG 3.58Å; Y225-E229 HydrophobicContact CE2-CB 3.86Å; Y225-E229 HydrophobicContact CE2-CG 3.83Å; Y225-E229 HydrophobicContact CG-CG 4.4Å; Y225-E229 WeakPolarHBondContact O-CB 3.38Å; Y225-E229 PolarHBondContact O-N 3.07Å; Y225-L231 HydrophobicContact CE1-CD2 4.04Å |
| 226 | C | 89.9 | Confident | 85 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -32.3 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | L198 S222 V223 L244 A248 | L198-C226 HydrophobicContact CD2-CB 4.41Å; S222-C226 PolarHBondContact O-N 3.46Å; V223-C226 WeakPolarHBondContact O-CB 3.34Å; V223-C226 PolarHBondContact O-N 2.64Å; V223-C226 VanDerWaalsContact O-N 3.09Å; C226-L244 HydrophobicContact CB-CD2 4.49Å; C226-A248 HydrophobicContact CB-CB 4.12Å |
| 227 | V | 91.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.6 | -42.7 | 178 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | V223 L224 Y225 R245 A248 G290 | V223-V227 HydrophobicContact CG1-CG2 4.42Å; V223-V227 WeakPolarHBondContact O-CG2 3.18Å; V223-V227 PolarHBondContact O-N 3.45Å; L224-V227 PolarHBondContact O-N 3.34Å; Y225-V227 VanDerWaalsContact C-N 3.32Å; Y225-V227 PolarHBondContact O-N 2.84Å; V227-R245 PolarHBondContact O-NH1 3.39Å; V227-A248 HydrophobicContact CG2-CB 3.51Å; V227-G290 WeakPolarHBondContact CG1-O 3.35Å; V227-G290 WeakPolarHBondContact O-CA 3.39Å |
| 228 | L | 89.9 | Confident | 84.1 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -112.3 | -26.3 | -162.3 | -62.1 | 174.3 | 0 | 0 | 0 | 115.9 | L224 L274 V277 S287 A291 | L224-L228 HydrophobicContact CD2-CD1 3.89Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 PolarHBondContact O-N 3.17Å; L228-L274 HydrophobicContact CD1-CD2 4.21Å; L228-L274 HydrophobicContact CD2-CD2 3.79Å; L228-L274 HydrophobicContact CG-CD2 4.39Å; L228-V277 HydrophobicContact CB-CG2 4.31Å; L228-V277 HydrophobicContact CD1-CG2 4.31Å; L228-V277 HydrophobicContact CD2-CB 4.5Å; L228-V277 HydrophobicContact CD2-CG2 4.03Å; L228-V277 HydrophobicContact CG-CG2 4.45Å; L228-S287 WeakPolarHBondContact O-CB 3.2Å; L228-S287 PolarHBondContact O-OG 3.1Å; L228-A291 HydrophobicContact CD2-CB 3.81Å |
| 229 | E | 87.6 | Confident | 84 | Confident | 66 Ų | 66 | 42 Ų | 42 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -84 | 152.8 | -174.8 | -67.5 | -66.9 | 115.7 | 0 | 0 | 111.6 | Y225 L231 R245 R283 | Y225-E229 HydrophobicContact CD2-CB 3.93Å; Y225-E229 HydrophobicContact CD2-CG 3.58Å; Y225-E229 HydrophobicContact CE2-CB 3.86Å; Y225-E229 HydrophobicContact CE2-CG 3.83Å; Y225-E229 HydrophobicContact CG-CG 4.4Å; Y225-E229 WeakPolarHBondContact O-CB 3.38Å; Y225-E229 PolarHBondContact O-N 3.07Å; E229-L231 PolarHBondContact O-N 2.96Å; E229-L231 VanDerWaalsContact O-N 3.16Å; E229-R245 PolarHBondContact O-NH1 2.82Å; E229-R245 PolarHBondContact O-NH2 3.14Å; E229-R283 IonicContact OE1-CZ 3.47Å; E229-R283 IonicContact OE1-NH1 3.94Å; E229-R283 PolarHBondContact OE1-NH1 2.81Å; E229-R283 IonicContact OE1-NH2 3.37Å |
| 230 | P | 81.2 | Confident | 83.8 | Confident | 66 Ų | 66 | 44 Ų | 44 | 43% | 0.429 | 26% | 0.255 | S | S | . | . | trans | -72.7 | 103.6 | 170.8 | 28.2 | -31.4 | 0 | 0 | 0 | 109.3 | P284 | P230-P284 HydrophobicContact CB-CG 3.87Å; P230-P284 HydrophobicContact CG-CG 4.39Å | ||
| 231 | L | 79.4 | Confident | 83.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | trans | -72.2 | 141.4 | 175 | -60.5 | 170.2 | 0 | 0 | 0 | 108.5 | L194 Y225 E229 A233 S234 L244 | L194-L231 HydrophobicContact CD1-CD1 3.85Å; L194-L231 HydrophobicContact CD1-CD2 3.94Å; L194-L231 HydrophobicContact CD1-CG 4.43Å; Y225-L231 HydrophobicContact CE1-CD2 4.04Å; E229-L231 PolarHBondContact O-N 2.96Å; E229-L231 VanDerWaalsContact O-N 3.16Å; L231-A233 HydrophobicContact CB-CB 4.48Å; L231-A233 PolarHBondContact O-N 3.35Å; L231-S234 PolarHBondContact O-N 3.48Å; L231-S234 PolarHBondContact O-OG 3.44Å; L231-L244 HydrophobicContact CD1-CD2 3.55Å | ||
| 232 | A | 73.2 | Confident | 83.7 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -60.7 | -30.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S188 H189 S234 I235 | S188-A232 PolarHBondContact O-N 3.41Å; H189-A232 WeakPolarHBondContact CE1-CB 3.4Å; H189-A232 VanDerWaalsContact ND1-CB 3.25Å; H189-A232 WeakPolarHBondContact ND1-CB 3.41Å; A232-S234 PolarHBondContact O-N 2.88Å; A232-I235 WeakPolarHBondContact O-CB 3.48Å; A232-I235 WeakPolarHBondContact O-CG1 3.29Å; A232-I235 PolarHBondContact O-N 3.09Å; A232-I235 VanDerWaalsContact O-N 3.13Å |
| 233 | A | 73.3 | Confident | 83.8 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -57.5 | -26.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S188 L191 L231 I235 N239 | S188-A233 PolarHBondContact O-N 2.86Å; L191-A233 HydrophobicContact CD1-CB 3.75Å; L231-A233 HydrophobicContact CB-CB 4.48Å; L231-A233 PolarHBondContact O-N 3.35Å; A233-I235 VanDerWaalsContact C-N 3.29Å; A233-I235 PolarHBondContact O-N 3.18Å; A233-N239 VanDerWaalsContact O-CB 3.3Å; A233-N239 WeakPolarHBondContact O-CB 3.36Å; A233-N239 PolarHBondContact O-ND2 2.98Å |
| 234 | S | 75.4 | Confident | 83.7 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -80.4 | -2.5 | 177.2 | 63.9 | 0 | 0 | 0 | 0 | 115 | L231 A232 N236 H241 | L231-S234 PolarHBondContact O-N 3.48Å; L231-S234 PolarHBondContact O-OG 3.44Å; A232-S234 PolarHBondContact O-N 2.88Å; S234-N236 VanDerWaalsContact C-N 3.34Å; S234-H241 VanDerWaalsContact CB-CD2 3.46Å; S234-H241 WeakPolarHBondContact CB-CD2 3.45Å; S234-H241 WeakPolarHBondContact CB-NE2 3.5Å |
| 235 | I | 77.2 | Confident | 83.8 | Confident | 142 Ų | 142 | 43.9 Ų | 43.9 | 73% | 0.728 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -75.9 | -27.9 | 172.7 | -58.4 | 171.9 | 0 | 0 | 0 | 110.7 | A232 A233 P237 | A232-I235 WeakPolarHBondContact O-CB 3.48Å; A232-I235 WeakPolarHBondContact O-CG1 3.29Å; A232-I235 PolarHBondContact O-N 3.09Å; A232-I235 VanDerWaalsContact O-N 3.13Å; A233-I235 VanDerWaalsContact C-N 3.29Å; A233-I235 PolarHBondContact O-N 3.18Å; I235-P237 WeakPolarHBondContact O-CD 3.25Å |
| 236 | N | 78.3 | Confident | 84 | Confident | 67 Ų | 67 | 43.6 Ų | 43.6 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -89.8 | 116.3 | 177.3 | -178.7 | 5.2 | 0 | 0 | 0 | 110.3 | S234 L238 N239 | S234-N236 VanDerWaalsContact C-N 3.34Å; N236-L238 PolarHBondContact O-N 3.44Å; N236-L238 VanDerWaalsContact O-N 3.17Å; N236-L238 WeakPolarHBondContact OD1-CB 3.37Å; N236-L238 PolarHBondContact OD1-N 3.3Å; N236-L238 VanDerWaalsContact OD1-N 3.1Å; N236-N239 HydrophobicContact CB-CB 4.5Å; N236-N239 PolarHBondContact ND2-OD1 3.21Å; N236-N239 WeakPolarHBondContact O-CB 3.33Å; N236-N239 PolarHBondContact O-N 2.9Å; N236-N239 VanDerWaalsContact O-N 3.07Å |
| 237 | P | 75 | Confident | 84.1 | Confident | 87 Ų | 87 | 44.8 Ų | 44.8 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.9 | -179.4 | 28.3 | -36.1 | 0 | 0 | 0 | 113.8 | I235 N239 | I235-P237 WeakPolarHBondContact O-CD 3.25Å; P237-N239 VanDerWaalsContact C-N 3.3Å |
| 238 | L | 77.8 | Confident | 84.2 | Confident | 155 Ų | 155 | 44.8 Ų | 44.8 | 81% | 0.812 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -17 | 173.8 | -59.2 | 176.7 | 0 | 0 | 0 | 113.2 | N236 | N236-L238 PolarHBondContact O-N 3.44Å; N236-L238 VanDerWaalsContact O-N 3.17Å; N236-L238 WeakPolarHBondContact OD1-CB 3.37Å; N236-L238 PolarHBondContact OD1-N 3.3Å; N236-L238 VanDerWaalsContact OD1-N 3.1Å |
| 239 | N | 84.1 | Confident | 84.5 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -87.1 | 117 | -178.9 | -71.3 | -10.6 | 0 | 0 | 0 | 110.7 | A233 N236 P237 H241 | A233-N239 VanDerWaalsContact O-CB 3.3Å; A233-N239 WeakPolarHBondContact O-CB 3.36Å; A233-N239 PolarHBondContact O-ND2 2.98Å; N236-N239 HydrophobicContact CB-CB 4.5Å; N236-N239 PolarHBondContact ND2-OD1 3.21Å; N236-N239 WeakPolarHBondContact O-CB 3.33Å; N236-N239 PolarHBondContact O-N 2.9Å; N236-N239 VanDerWaalsContact O-N 3.07Å; P237-N239 VanDerWaalsContact C-N 3.3Å; N239-H241 PolarHBondContact O-N 2.96Å; N239-H241 PolarHBondContact O-ND1 3.38Å |
| 240 | D | 85.4 | Confident | 84.8 | Confident | 77 Ų | 77 | 45 Ų | 45 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | trans | -74.7 | 69.8 | 174.1 | -177.5 | 30.7 | 0 | 0 | 0 | 112.5 | L191 W242 T243 | L191-D240 VanDerWaalsContact CD2-O 3.26Å; L191-D240 WeakPolarHBondContact CD2-O 3.3Å; D240-W242 PolarHBondContact O-N 3.4Å; D240-W242 PolarHBondContact OD1-N 3.13Å; D240-T243 PolarHBondContact O-OG1 3.4Å; D240-T243 WeakPolarHBondContact OD2-CB 3.19Å; D240-T243 WeakPolarHBondContact OD2-CG2 3.27Å; D240-T243 PolarHBondContact OD2-OG1 2.91Å | ||
| 241 | H | 87.3 | Confident | 85.4 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.7 | -5.5 | 175.9 | 67 | -86.8 | 0 | 0 | 0 | 113.3 | L191 S234 N239 R245 | L191-H241 HydrophobicContact CD1-CB 3.72Å; S234-H241 VanDerWaalsContact CB-CD2 3.46Å; S234-H241 WeakPolarHBondContact CB-CD2 3.45Å; S234-H241 WeakPolarHBondContact CB-NE2 3.5Å; N239-H241 PolarHBondContact O-N 2.96Å; N239-H241 PolarHBondContact O-ND1 3.38Å; H241-R245 PolarHBondContact O-N 3.12Å |
| 242 | W | 89.9 | Confident | 86 | Confident | 24 Ų | 24 | 42.1 Ų | 42.1 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.4 | -49.5 | 179.4 | -53.4 | 98.3 | 0 | 0 | 0 | 110.7 | D240 L244 R245 D246 C286 Y289 D335 K338 | D240-W242 PolarHBondContact O-N 3.4Å; D240-W242 PolarHBondContact OD1-N 3.13Å; W242-L244 PolarHBondContact O-N 3.3Å; W242-R245 WeakPolarHBondContact O-CA 3.41Å; W242-R245 WeakPolarHBondContact O-CB 3.41Å; W242-R245 PolarHBondContact O-N 2.91Å; W242-D246 PolarHBondContact O-N 3.36Å; W242-C286 HydrophobicContact CH2-CB 4.16Å; W242-C286 HydrophobicContact CZ3-CB 4.29Å; W242-Y289 HydrophobicContact CB-CE1 4.48Å; W242-Y289 AromaticContact CE3-CD1 3.59Å; W242-Y289 HydrophobicContact CE3-CD1 3.59Å; W242-Y289 AromaticContact CE3-CD2 3.98Å; W242-Y289 HydrophobicContact CE3-CD2 3.98Å; W242-Y289 AromaticContact CE3-CE1 3.84Å; W242-Y289 HydrophobicContact CE3-CE1 3.84Å; W242-Y289 HydrophobicContact CE3-CE2 4.21Å; W242-Y289 AromaticContact CE3-CG 3.65Å; W242-Y289 HydrophobicContact CE3-CG 3.65Å; W242-Y289 AromaticContact CZ3-CD1 3.97Å; W242-Y289 HydrophobicContact CZ3-CD1 3.97Å; W242-Y289 AromaticContact CZ3-CD2 3.96Å; W242-Y289 HydrophobicContact CZ3-CD2 3.96Å; W242-Y289 AromaticContact CZ3-CG 3.6Å; W242-Y289 HydrophobicContact CZ3-CG 3.6Å; W242-D335 HydrophobicContact CH2-CB 4.06Å; W242-D335 HydrophobicContact CZ2-CB 4.29Å; W242-D335 WeakPolarHBondContact CZ2-OD1 3.49Å; W242-K338 HydrophobicContact CD2-CG 4.47Å; W242-K338 HydrophobicContact CE3-CB 4.31Å; W242-K338 HydrophobicContact CH2-CB 4.16Å; W242-K338 HydrophobicContact CH2-CG 4.34Å; W242-K338 HydrophobicContact CZ2-CG 4.26Å; W242-K338 HydrophobicContact CZ3-CB 4.01Å; W242-K338 HydrophobicContact CZ3-CG 4.48Å |
| 243 | T | 91.3 | Very high | 87 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.7 | -29.4 | 177.4 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | D240 D246 G247 | D240-T243 PolarHBondContact O-OG1 3.4Å; D240-T243 WeakPolarHBondContact OD2-CB 3.19Å; D240-T243 WeakPolarHBondContact OD2-CG2 3.27Å; D240-T243 PolarHBondContact OD2-OG1 2.91Å; T243-D246 PolarHBondContact O-N 3.03Å; T243-G247 PolarHBondContact O-N 3.48Å |
| 244 | L | 90.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 169.8 | -172.8 | 102.9 | 0 | 0 | 0 | 111.6 | L191 L194 H195 L198 C226 L231 W242 G247 A248 | L191-L244 HydrophobicContact CG-CD1 4.4Å; L194-L244 HydrophobicContact CB-CD1 3.73Å; L194-L244 HydrophobicContact CB-CD2 4.25Å; L194-L244 HydrophobicContact CD1-CD2 4.21Å; H195-L244 HydrophobicContact CB-CD1 4.14Å; L198-L244 HydrophobicContact CD1-CD1 3.87Å; L198-L244 HydrophobicContact CD1-CG 3.97Å; C226-L244 HydrophobicContact CB-CD2 4.49Å; L231-L244 HydrophobicContact CD1-CD2 3.55Å; W242-L244 PolarHBondContact O-N 3.3Å; L244-G247 PolarHBondContact O-N 2.91Å; L244-A248 VanDerWaalsContact O-CB 3.27Å; L244-A248 WeakPolarHBondContact O-CB 3.32Å; L244-A248 PolarHBondContact O-N 2.78Å |
| 245 | R | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 177.6 | -68.6 | -177.3 | -167.6 | -84.3 | -1.7 | 111.1 | V227 E229 H241 W242 A248 A249 C286 Y289 | V227-R245 PolarHBondContact O-NH1 3.39Å; E229-R245 PolarHBondContact O-NH1 2.82Å; E229-R245 PolarHBondContact O-NH2 3.14Å; H241-R245 PolarHBondContact O-N 3.12Å; W242-R245 WeakPolarHBondContact O-CA 3.41Å; W242-R245 WeakPolarHBondContact O-CB 3.41Å; W242-R245 PolarHBondContact O-N 2.91Å; R245-A248 PolarHBondContact O-N 3.28Å; R245-A249 WeakPolarHBondContact O-CB 3.36Å; R245-A249 PolarHBondContact O-N 3.42Å; R245-C286 VanDerWaalsContact CD-O 3.31Å; R245-C286 WeakPolarHBondContact CD-O 3.37Å; R245-C286 PolarHBondContact NE-O 3.43Å; R245-C286 PolarHBondContact NH2-SG 3.5Å; R245-C286 VanDerWaalsContact NH2-SG 3.41Å; R245-Y289 HydrophobicContact CB-CD1 4.43Å; R245-Y289 HydrophobicContact CB-CE1 4.47Å |
| 246 | D | 92.8 | Very high | 89.2 | Confident | 38 Ų | 38 | 38.5 Ų | 38.5 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -50.5 | 175.6 | -63.4 | -23.6 | 0 | 0 | 0 | 111.7 | W242 T243 A248 A249 L250 Y289 | W242-D246 PolarHBondContact O-N 3.36Å; T243-D246 PolarHBondContact O-N 3.03Å; D246-A248 VanDerWaalsContact C-N 3.32Å; D246-A248 PolarHBondContact O-N 3.02Å; D246-A249 PolarHBondContact O-N 3.41Å; D246-L250 WeakPolarHBondContact O-CG 3.31Å; D246-L250 PolarHBondContact O-N 3.14Å; D246-Y289 WeakPolarHBondContact OD1-CE1 3.38Å; D246-Y289 PolarHBondContact OD1-OH 3.4Å; D246-Y289 VanDerWaalsContact OD1-OH 3.05Å; D246-Y289 PolarHBondContact OD2-OH 3.38Å |
| 247 | G | 91.9 | Very high | 89.7 | Confident | 28 Ų | 28 | 43.7 Ų | 43.7 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.1 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T243 L244 L251 | T243-G247 PolarHBondContact O-N 3.48Å; L244-G247 PolarHBondContact O-N 2.91Å; G247-L251 WeakPolarHBondContact O-CB 3.47Å; G247-L251 PolarHBondContact O-N 2.93Å |
| 248 | A | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.1 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L198 V223 C226 V227 L244 R245 D246 L251 L252 | L198-A248 HydrophobicContact CD1-CB 3.89Å; L198-A248 HydrophobicContact CD2-CB 3.95Å; V223-A248 HydrophobicContact CG1-CB 4.24Å; V223-A248 WeakPolarHBondContact CG1-O 3.19Å; C226-A248 HydrophobicContact CB-CB 4.12Å; V227-A248 HydrophobicContact CG2-CB 3.51Å; L244-A248 VanDerWaalsContact O-CB 3.27Å; L244-A248 WeakPolarHBondContact O-CB 3.32Å; L244-A248 PolarHBondContact O-N 2.78Å; R245-A248 PolarHBondContact O-N 3.28Å; D246-A248 VanDerWaalsContact C-N 3.32Å; D246-A248 PolarHBondContact O-N 3.02Å; A248-L251 PolarHBondContact O-N 2.82Å; A248-L252 WeakPolarHBondContact O-CB 3.33Å; A248-L252 PolarHBondContact O-N 3.25Å |
| 249 | A | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R245 D246 L252 S253 V293 A297 | R245-A249 WeakPolarHBondContact O-CB 3.36Å; R245-A249 PolarHBondContact O-N 3.42Å; D246-A249 PolarHBondContact O-N 3.41Å; A249-L252 WeakPolarHBondContact O-CB 3.47Å; A249-L252 PolarHBondContact O-N 2.97Å; A249-S253 PolarHBondContact O-N 3.32Å; A249-V293 HydrophobicContact CB-CB 4.43Å; A249-V293 HydrophobicContact CB-CG1 3.78Å; A249-A297 HydrophobicContact CB-CB 4.25Å; A249-A297 WeakPolarHBondContact O-CB 3.3Å |
| 250 | L | 94.3 | Very high | 90.2 | Very high | 81 Ų | 81 | 34.8 Ų | 34.8 | 42% | 0.424 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 172.4 | -70.4 | 173.4 | 0 | 0 | 0 | 111.7 | D246 S253 H254 | D246-L250 WeakPolarHBondContact O-CG 3.31Å; D246-L250 PolarHBondContact O-N 3.14Å; L250-S253 PolarHBondContact O-N 3.38Å; L250-H254 PolarHBondContact O-N 3.35Å |
| 251 | L | 93.4 | Very high | 89.8 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 175 | -176.9 | 61.8 | 0 | 0 | 0 | 112.1 | L198 A201 R202 I205 V223 G247 A248 S253 H254 I255 | L198-L251 HydrophobicContact CB-CD2 4.36Å; L198-L251 HydrophobicContact CD2-CD2 3.93Å; L198-L251 WeakPolarHBondContact O-CD2 3.35Å; A201-L251 HydrophobicContact CB-CD2 3.82Å; R202-L251 HydrophobicContact CB-CD1 3.81Å; R202-L251 HydrophobicContact CG-CD1 4.07Å; I205-L251 HydrophobicContact CD1-CD1 3.75Å; I205-L251 HydrophobicContact CD1-CG 4.47Å; V223-L251 HydrophobicContact CG2-CD2 3.96Å; V223-L251 HydrophobicContact CG2-CG 4.45Å; G247-L251 WeakPolarHBondContact O-CB 3.47Å; G247-L251 PolarHBondContact O-N 2.93Å; A248-L251 PolarHBondContact O-N 2.82Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.39Å; L251-H254 WeakPolarHBondContact O-CB 3.45Å; L251-H254 PolarHBondContact O-N 2.98Å; L251-I255 HydrophobicContact CG-CD1 4.29Å; L251-I255 WeakPolarHBondContact O-CG1 3.34Å; L251-I255 PolarHBondContact O-N 3.18Å |
| 252 | L | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 175.2 | -179.3 | 65.2 | 0 | 0 | 0 | 111.5 | V220 V223 L224 A248 A249 I255 F256 I270 | V220-L252 HydrophobicContact CG1-CD1 3.86Å; V220-L252 HydrophobicContact CG2-CD1 4.43Å; V223-L252 HydrophobicContact CG1-CB 3.95Å; L224-L252 HydrophobicContact CD2-CD1 4.33Å; L224-L252 HydrophobicContact CD2-CD2 3.66Å; L224-L252 HydrophobicContact CG-CD1 4.24Å; L224-L252 HydrophobicContact CG-CD2 4.42Å; A248-L252 WeakPolarHBondContact O-CB 3.33Å; A248-L252 PolarHBondContact O-N 3.25Å; A249-L252 WeakPolarHBondContact O-CB 3.47Å; A249-L252 PolarHBondContact O-N 2.97Å; L252-I255 PolarHBondContact O-N 3.3Å; L252-F256 PolarHBondContact O-N 2.97Å; L252-I270 HydrophobicContact CD1-CD1 3.92Å; L252-I270 HydrophobicContact CD1-CG1 4.25Å; L252-I270 HydrophobicContact CD1-CG2 4.48Å; L252-I270 HydrophobicContact CD2-CG2 4Å; L252-I270 HydrophobicContact CG-CG2 4.42Å |
| 253 | S | 93.4 | Very high | 88.5 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 173.1 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | A249 L250 L251 I255 F256 W257 A297 | A249-S253 PolarHBondContact O-N 3.32Å; L250-S253 PolarHBondContact O-N 3.38Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.39Å; S253-I255 VanDerWaalsContact C-N 3.35Å; S253-I255 PolarHBondContact O-N 3.39Å; S253-F256 WeakPolarHBondContact O-CB 3.4Å; S253-F256 PolarHBondContact O-N 2.93Å; S253-F256 VanDerWaalsContact O-N 3.12Å; S253-W257 PolarHBondContact O-N 2.72Å; S253-W257 PolarHBondContact OG-NE1 3.49Å; S253-A297 VanDerWaalsContact CB-O 3.25Å; S253-A297 WeakPolarHBondContact CB-O 3.39Å; S253-A297 PolarHBondContact OG-O 3.42Å |
| 254 | H | 91.6 | Very high | 87.9 | Confident | 71 Ų | 71 | 45.7 Ų | 45.7 | 33% | 0.329 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 176.7 | -171.4 | 60.3 | 0 | 0 | 0 | 112.5 | L250 L251 F256 W257 T258 | L250-H254 PolarHBondContact O-N 3.35Å; L251-H254 WeakPolarHBondContact O-CB 3.45Å; L251-H254 PolarHBondContact O-N 2.98Å; H254-F256 VanDerWaalsContact C-N 3.35Å; H254-W257 PolarHBondContact O-N 2.73Å; H254-T258 WeakPolarHBondContact O-CB 3.32Å; H254-T258 WeakPolarHBondContact O-CG2 3.1Å; H254-T258 PolarHBondContact O-N 3.02Å; H254-T258 PolarHBondContact O-OG1 2.84Å |
| 255 | I | 90.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 174.1 | -64.6 | 161.4 | 0 | 0 | 0 | 111.1 | I205 V216 L219 V220 V223 L251 L252 S253 T258 H259 | I205-I255 HydrophobicContact CD1-CD1 3.77Å; I205-I255 HydrophobicContact CD1-CG1 3.29Å; I205-I255 HydrophobicContact CG1-CG1 4.16Å; V216-I255 HydrophobicContact CG1-CG2 3.84Å; L219-I255 HydrophobicContact CD2-CD1 4.48Å; L219-I255 HydrophobicContact CG-CD1 4.45Å; V220-I255 HydrophobicContact CG2-CB 4.37Å; V220-I255 HydrophobicContact CG2-CD1 4.23Å; V220-I255 HydrophobicContact CG2-CG2 3.55Å; V223-I255 HydrophobicContact CG2-CD1 4.03Å; L251-I255 HydrophobicContact CG-CD1 4.29Å; L251-I255 WeakPolarHBondContact O-CG1 3.34Å; L251-I255 PolarHBondContact O-N 3.18Å; L252-I255 PolarHBondContact O-N 3.3Å; S253-I255 VanDerWaalsContact C-N 3.35Å; S253-I255 PolarHBondContact O-N 3.39Å; I255-T258 PolarHBondContact O-N 3.13Å; I255-T258 PolarHBondContact O-OG1 3.4Å; I255-H259 PolarHBondContact O-N 3.26Å |
| 256 | F | 89.8 | Confident | 87.2 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 179.2 | 168.7 | -113.5 | 0 | 0 | 0 | 111.7 | L252 S253 H254 G260 Y267 L298 | L252-F256 PolarHBondContact O-N 2.97Å; S253-F256 WeakPolarHBondContact O-CB 3.4Å; S253-F256 PolarHBondContact O-N 2.93Å; S253-F256 VanDerWaalsContact O-N 3.12Å; H254-F256 VanDerWaalsContact C-N 3.35Å; F256-G260 WeakPolarHBondContact O-CA 3.38Å; F256-G260 PolarHBondContact O-N 3.34Å; F256-Y267 HydrophobicContact CD2-CD2 4.04Å; F256-Y267 HydrophobicContact CE1-CD2 4.12Å; F256-Y267 HydrophobicContact CE1-CE2 4.26Å; F256-Y267 AromaticContact CE2-CD2 3.45Å; F256-Y267 HydrophobicContact CE2-CD2 3.45Å; F256-Y267 VanDerWaalsContact CE2-CD2 3.45Å; F256-Y267 HydrophobicContact CE2-CE2 4.34Å; F256-Y267 AromaticContact CE2-CG 3.92Å; F256-Y267 HydrophobicContact CE2-CG 3.92Å; F256-Y267 AromaticContact CZ-CD2 3.48Å; F256-Y267 HydrophobicContact CZ-CD2 3.48Å; F256-Y267 VanDerWaalsContact CZ-CD2 3.48Å; F256-Y267 AromaticContact CZ-CE2 3.93Å; F256-Y267 HydrophobicContact CZ-CE2 3.93Å; F256-Y267 HydrophobicContact CZ-CG 4.18Å; F256-L298 HydrophobicContact CB-CD2 4.02Å; F256-L298 HydrophobicContact CD1-CD2 3.86Å; F256-L298 HydrophobicContact CG-CD2 3.99Å |
| 257 | W | 88.1 | Confident | 87 | Confident | 176 Ų | 176 | 48.3 Ų | 48.3 | 67% | 0.667 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -74.8 | -21.9 | -179.1 | -67.1 | 112.3 | 0 | 0 | 0 | 114.7 | S253 H254 | S253-W257 PolarHBondContact O-N 2.72Å; S253-W257 PolarHBondContact OG-NE1 3.49Å; H254-W257 PolarHBondContact O-N 2.73Å |
| 258 | T | 86.3 | Confident | 87 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -94.8 | -30.7 | 178.2 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | H254 I255 | H254-T258 WeakPolarHBondContact O-CB 3.32Å; H254-T258 WeakPolarHBondContact O-CG2 3.1Å; H254-T258 PolarHBondContact O-N 3.02Å; H254-T258 PolarHBondContact O-OG1 2.84Å; I255-T258 PolarHBondContact O-N 3.13Å; I255-T258 PolarHBondContact O-OG1 3.4Å |
| 259 | H | 82.6 | Confident | 86.8 | Confident | 29 Ų | 29 | 57 Ų | 57 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -129.9 | 1.3 | -171.7 | -61.9 | -55.2 | 0 | 0 | 0 | 114.5 | V216 I255 D261 L262 | V216-H259 HydrophobicContact CG1-CB 4.2Å; V216-H259 HydrophobicContact CG2-CB 4.17Å; I255-H259 PolarHBondContact O-N 3.26Å; H259-D261 PolarHBondContact O-N 3.11Å; H259-L262 HydrophobicContact CB-CD1 4.27Å; H259-L262 WeakPolarHBondContact ND1-CD1 3.37Å; H259-L262 WeakPolarHBondContact O-CB 3.4Å; H259-L262 PolarHBondContact O-N 3.3Å; H259-L262 VanDerWaalsContact O-N 3.12Å |
| 260 | G | 78.9 | Confident | 86.7 | Confident | 13 Ų | 13 | 57 Ų | 57 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -55.6 | -44.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F256 L262 V263 | F256-G260 WeakPolarHBondContact O-CA 3.38Å; F256-G260 PolarHBondContact O-N 3.34Å; G260-L262 PolarHBondContact O-N 3.34Å; G260-V263 PolarHBondContact O-N 3.5Å |
| 261 | D | 76.4 | Confident | 86.6 | Confident | 173 Ų | 173 | 54 Ų | 54 | 93% | 0.925 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -67.1 | -22.2 | -179.9 | -62.1 | -26.9 | 0 | 0 | 0 | 113.4 | H259 V263 | H259-D261 PolarHBondContact O-N 3.11Å; D261-V263 VanDerWaalsContact C-N 3.31Å |
| 262 | L | 72.8 | Confident | 86.6 | Confident | 117 Ų | 117 | 58.8 Ų | 58.8 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -79.4 | -16.6 | 179.2 | -55.9 | 176.4 | 0 | 0 | 0 | 112.4 | H259 G260 | H259-L262 HydrophobicContact CB-CD1 4.27Å; H259-L262 WeakPolarHBondContact ND1-CD1 3.37Å; H259-L262 WeakPolarHBondContact O-CB 3.4Å; H259-L262 PolarHBondContact O-N 3.3Å; H259-L262 VanDerWaalsContact O-N 3.12Å; G260-L262 PolarHBondContact O-N 3.34Å |
| 263 | V | 77.8 | Confident | 86.5 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.036 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -130.3 | 94.1 | -168.8 | -173.5 | 0 | 0 | 0 | 0 | 110 | V216 R217 G260 D261 G265 L266 | V216-V263 HydrophobicContact CB-CG2 3.96Å; V216-V263 HydrophobicContact CG1-CG2 4.04Å; V216-V263 HydrophobicContact CG2-CG2 4.43Å; R217-V263 HydrophobicContact CG-CG1 3.64Å; G260-V263 PolarHBondContact O-N 3.5Å; D261-V263 VanDerWaalsContact C-N 3.31Å; V263-G265 PolarHBondContact O-N 2.95Å; V263-L266 HydrophobicContact CB-CB 4Å; V263-L266 HydrophobicContact CB-CD2 4.18Å; V263-L266 HydrophobicContact CG1-CB 3.9Å; V263-L266 HydrophobicContact CG1-CD1 4.32Å; V263-L266 HydrophobicContact CG1-CD2 4.47Å; V263-L266 HydrophobicContact CG1-CG 4.46Å; V263-L266 VanDerWaalsContact O-CB 3.31Å; V263-L266 WeakPolarHBondContact O-CB 3.31Å; V263-L266 PolarHBondContact O-N 2.98Å; V263-L266 VanDerWaalsContact O-N 3.13Å |
| 264 | S | 78.5 | Confident | 86.5 | Confident | 102 Ų | 102 | 60 Ų | 60 | 71% | 0.713 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 132.8 | 175.4 | 54.6 | 0 | 0 | 0 | 0 | 112 | R217 L266 | R217-S264 PolarHBondContact NH2-O 3.38Å; S264-L266 VanDerWaalsContact C-N 3.29Å; S264-L266 PolarHBondContact O-N 3.37Å |
| 265 | G | 82.6 | Confident | 86.6 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -2.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V263 Y267 Q268 Q269 | V263-G265 PolarHBondContact O-N 2.95Å; G265-Y267 VanDerWaalsContact C-N 3.34Å; G265-Y267 PolarHBondContact O-N 3.09Å; G265-Q268 PolarHBondContact O-N 3.07Å; G265-Q268 VanDerWaalsContact O-N 3.16Å; G265-Q269 PolarHBondContact O-N 3.1Å |
| 266 | L | 86.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.9 | -43.7 | -174.6 | -173.9 | 64.2 | 0 | 0 | 0 | 113 | V216 R217 V220 V263 S264 Q268 Q269 I270 | V216-L266 HydrophobicContact CG1-CD2 3.94Å; R217-L266 HydrophobicContact CG-CD1 4.4Å; V220-L266 HydrophobicContact CB-CD1 4.32Å; V220-L266 HydrophobicContact CG1-CD1 4.15Å; V220-L266 HydrophobicContact CG2-CD1 4.17Å; V220-L266 HydrophobicContact CG2-CD2 4.43Å; V263-L266 HydrophobicContact CB-CB 4Å; V263-L266 HydrophobicContact CB-CD2 4.18Å; V263-L266 HydrophobicContact CG1-CB 3.9Å; V263-L266 HydrophobicContact CG1-CD1 4.32Å; V263-L266 HydrophobicContact CG1-CD2 4.47Å; V263-L266 HydrophobicContact CG1-CG 4.46Å; V263-L266 VanDerWaalsContact O-CB 3.31Å; V263-L266 WeakPolarHBondContact O-CB 3.31Å; V263-L266 PolarHBondContact O-N 2.98Å; V263-L266 VanDerWaalsContact O-N 3.13Å; S264-L266 VanDerWaalsContact C-N 3.29Å; S264-L266 PolarHBondContact O-N 3.37Å; L266-Q268 PolarHBondContact O-N 3.31Å; L266-Q269 PolarHBondContact O-N 3.42Å; L266-I270 HydrophobicContact CD1-CD1 4.32Å; L266-I270 HydrophobicContact CG-CD1 3.96Å; L266-I270 WeakPolarHBondContact O-CG1 3.42Å; L266-I270 PolarHBondContact O-N 3.48Å |
| 267 | Y | 88.8 | Confident | 86.9 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 177.5 | -176.3 | -115.1 | 0 | 0 | 0 | 112.4 | F256 G265 I270 L271 | F256-Y267 HydrophobicContact CD2-CD2 4.04Å; F256-Y267 HydrophobicContact CE1-CD2 4.12Å; F256-Y267 HydrophobicContact CE1-CE2 4.26Å; F256-Y267 AromaticContact CE2-CD2 3.45Å; F256-Y267 HydrophobicContact CE2-CD2 3.45Å; F256-Y267 VanDerWaalsContact CE2-CD2 3.45Å; F256-Y267 HydrophobicContact CE2-CE2 4.34Å; F256-Y267 AromaticContact CE2-CG 3.92Å; F256-Y267 HydrophobicContact CE2-CG 3.92Å; F256-Y267 AromaticContact CZ-CD2 3.48Å; F256-Y267 HydrophobicContact CZ-CD2 3.48Å; F256-Y267 VanDerWaalsContact CZ-CD2 3.48Å; F256-Y267 AromaticContact CZ-CE2 3.93Å; F256-Y267 HydrophobicContact CZ-CE2 3.93Å; F256-Y267 HydrophobicContact CZ-CG 4.18Å; G265-Y267 VanDerWaalsContact C-N 3.34Å; G265-Y267 PolarHBondContact O-N 3.09Å; Y267-I270 PolarHBondContact O-N 3.3Å; Y267-L271 HydrophobicContact CD1-CD1 3.92Å; Y267-L271 HydrophobicContact CD1-CG 4.46Å; Y267-L271 HydrophobicContact CE1-CD1 3.37Å; Y267-L271 HydrophobicContact CE1-CG 4.16Å; Y267-L271 HydrophobicContact CE2-CD1 4.25Å; Y267-L271 HydrophobicContact CE2-CD2 4.32Å; Y267-L271 HydrophobicContact CE2-CG 4.21Å; Y267-L271 WeakPolarHBondContact O-CG 3.32Å; Y267-L271 PolarHBondContact O-N 2.88Å |
| 268 | Q | 90.3 | Very high | 86.9 | Confident | 134 Ų | 134 | 56.6 Ų | 56.6 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66 | -41.7 | 178.1 | -70.1 | 173 | -34.4 | 0 | 0 | 111.4 | G265 L266 I270 L271 L272 | G265-Q268 PolarHBondContact O-N 3.07Å; G265-Q268 VanDerWaalsContact O-N 3.16Å; L266-Q268 PolarHBondContact O-N 3.31Å; Q268-I270 VanDerWaalsContact C-N 3.32Å; Q268-I270 PolarHBondContact O-N 2.96Å; Q268-L271 PolarHBondContact O-N 3.46Å; Q268-L272 WeakPolarHBondContact O-CB 3.34Å; Q268-L272 VanDerWaalsContact O-CG 3.25Å; Q268-L272 WeakPolarHBondContact O-CG 3.41Å; Q268-L272 PolarHBondContact O-N 3.49Å |
| 269 | Q | 91.1 | Very high | 87.1 | Confident | 77 Ų | 77 | 57 Ų | 57 | 36% | 0.36 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 175.2 | -175.8 | -174.8 | -11.4 | 0 | 0 | 111.7 | G265 L266 S273 | G265-Q269 PolarHBondContact O-N 3.1Å; L266-Q269 PolarHBondContact O-N 3.42Å; Q269-S273 WeakPolarHBondContact O-CB 3.41Å; Q269-S273 PolarHBondContact O-N 3.41Å; Q269-S273 PolarHBondContact O-OG 2.96Å |
| 270 | I | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66 | -51.4 | 177.6 | -66.5 | 166.1 | 0 | 0 | 0 | 110.4 | V220 L224 L252 L266 Y267 Q268 L272 S273 L274 L298 | V220-I270 HydrophobicContact CG1-CD1 4Å; V220-I270 HydrophobicContact CG1-CG1 3.79Å; L224-I270 HydrophobicContact CD1-CG1 4.48Å; L252-I270 HydrophobicContact CD1-CD1 3.92Å; L252-I270 HydrophobicContact CD1-CG1 4.25Å; L252-I270 HydrophobicContact CD1-CG2 4.48Å; L252-I270 HydrophobicContact CD2-CG2 4Å; L252-I270 HydrophobicContact CG-CG2 4.42Å; L266-I270 HydrophobicContact CD1-CD1 4.32Å; L266-I270 HydrophobicContact CG-CD1 3.96Å; L266-I270 WeakPolarHBondContact O-CG1 3.42Å; L266-I270 PolarHBondContact O-N 3.48Å; Y267-I270 PolarHBondContact O-N 3.3Å; Q268-I270 VanDerWaalsContact C-N 3.32Å; Q268-I270 PolarHBondContact O-N 2.96Å; I270-L272 PolarHBondContact O-N 2.86Å; I270-S273 WeakPolarHBondContact O-CB 3.29Å; I270-S273 PolarHBondContact O-N 2.78Å; I270-S273 VanDerWaalsContact O-N 3.1Å; I270-L274 HydrophobicContact CG2-CD1 3.85Å; I270-L274 HydrophobicContact CG2-CG 4.38Å; I270-L274 WeakPolarHBondContact O-CG 3.37Å; I270-L274 PolarHBondContact O-N 3.15Å; I270-L298 HydrophobicContact CG2-CD1 3.67Å |
| 271 | L | 92.1 | Very high | 87.7 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 180 | -73.6 | -175.1 | 0 | 0 | 0 | 112.7 | Y267 Q268 S273 L274 Q275 L295 L298 A302 V306 | Y267-L271 HydrophobicContact CD1-CD1 3.92Å; Y267-L271 HydrophobicContact CD1-CG 4.46Å; Y267-L271 HydrophobicContact CE1-CD1 3.37Å; Y267-L271 HydrophobicContact CE1-CG 4.16Å; Y267-L271 HydrophobicContact CE2-CD1 4.25Å; Y267-L271 HydrophobicContact CE2-CD2 4.32Å; Y267-L271 HydrophobicContact CE2-CG 4.21Å; Y267-L271 WeakPolarHBondContact O-CG 3.32Å; Y267-L271 PolarHBondContact O-N 2.88Å; Q268-L271 PolarHBondContact O-N 3.46Å; L271-S273 VanDerWaalsContact C-N 3.28Å; L271-S273 PolarHBondContact O-N 3.48Å; L271-L274 PolarHBondContact O-N 3Å; L271-Q275 VanDerWaalsContact O-CB 3.29Å; L271-Q275 WeakPolarHBondContact O-CB 3.44Å; L271-Q275 PolarHBondContact O-N 3.36Å; L271-L295 HydrophobicContact CD2-CD2 3.82Å; L271-L298 HydrophobicContact CD2-CD1 4.27Å; L271-A302 HydrophobicContact CD2-CB 3.74Å; L271-V306 HydrophobicContact CB-CG2 4.43Å; L271-V306 HydrophobicContact CD2-CG2 4.07Å |
| 272 | L | 93.1 | Very high | 88.3 | Confident | 109 Ų | 109 | 59.8 Ų | 59.8 | 57% | 0.571 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63 | -35.1 | 177.9 | -71.2 | 170.5 | 0 | 0 | 0 | 112.1 | Q268 I270 K276 | Q268-L272 WeakPolarHBondContact O-CB 3.34Å; Q268-L272 VanDerWaalsContact O-CG 3.25Å; Q268-L272 WeakPolarHBondContact O-CG 3.41Å; Q268-L272 PolarHBondContact O-N 3.49Å; I270-L272 PolarHBondContact O-N 2.86Å; L272-K276 VanDerWaalsContact O-CB 3.32Å; L272-K276 WeakPolarHBondContact O-CB 3.37Å; L272-K276 PolarHBondContact O-N 3.14Å |
| 273 | S | 92.9 | Very high | 89 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 176.5 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | Q269 I270 L271 | Q269-S273 WeakPolarHBondContact O-CB 3.41Å; Q269-S273 PolarHBondContact O-N 3.41Å; Q269-S273 PolarHBondContact O-OG 2.96Å; I270-S273 WeakPolarHBondContact O-CB 3.29Å; I270-S273 PolarHBondContact O-N 2.78Å; I270-S273 VanDerWaalsContact O-N 3.1Å; L271-S273 VanDerWaalsContact C-N 3.28Å; L271-S273 PolarHBondContact O-N 3.48Å |
| 274 | L | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.5 | -45.4 | 176.4 | -60.9 | 169.6 | 0 | 0 | 0 | 111.2 | L224 L228 I270 L271 K276 V277 L278 L295 L298 | L224-L274 HydrophobicContact CD2-CD2 4.46Å; L228-L274 HydrophobicContact CD1-CD2 4.21Å; L228-L274 HydrophobicContact CD2-CD2 3.79Å; L228-L274 HydrophobicContact CG-CD2 4.39Å; I270-L274 HydrophobicContact CG2-CD1 3.85Å; I270-L274 HydrophobicContact CG2-CG 4.38Å; I270-L274 WeakPolarHBondContact O-CG 3.37Å; I270-L274 PolarHBondContact O-N 3.15Å; L271-L274 PolarHBondContact O-N 3Å; L274-K276 VanDerWaalsContact C-N 3.35Å; L274-K276 PolarHBondContact O-N 3.24Å; L274-V277 PolarHBondContact O-N 3.01Å; L274-L278 PolarHBondContact O-N 2.89Å; L274-L295 HydrophobicContact CB-CD2 4.07Å; L274-L295 HydrophobicContact CB-CG 4.14Å; L274-L295 HydrophobicContact CD1-CD2 3.68Å; L274-L295 HydrophobicContact CD1-CG 3.97Å; L274-L298 HydrophobicContact CD1-CD1 3.53Å |
| 275 | Q | 94 | Very high | 90.2 | Very high | 62 Ų | 62 | 56 Ų | 56 | 29% | 0.29 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 177.6 | -178 | 177.4 | -10 | 0 | 0 | 111.8 | L271 V277 L278 T279 V306 H310 | L271-Q275 VanDerWaalsContact O-CB 3.29Å; L271-Q275 WeakPolarHBondContact O-CB 3.44Å; L271-Q275 PolarHBondContact O-N 3.36Å; Q275-V277 PolarHBondContact O-N 2.96Å; Q275-L278 PolarHBondContact O-N 2.85Å; Q275-T279 HydrophobicContact CG-CG2 4.36Å; Q275-T279 PolarHBondContact O-N 3.4Å; Q275-T279 PolarHBondContact O-OG1 3.22Å; Q275-V306 HydrophobicContact CB-CG1 3.64Å; Q275-V306 HydrophobicContact CG-CG1 4.01Å; Q275-H310 PolarHBondContact NE2-NE2 3.21Å; Q275-H310 VanDerWaalsContact NE2-NE2 3.13Å |
| 276 | K | 93.3 | Very high | 90.5 | Very high | 136 Ų | 136 | 54.6 Ų | 54.6 | 59% | 0.591 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57 | -33.2 | -178.9 | -179 | 173.3 | 177.7 | 176.6 | 0 | 113 | L272 L274 T279 | L272-K276 VanDerWaalsContact O-CB 3.32Å; L272-K276 WeakPolarHBondContact O-CB 3.37Å; L272-K276 PolarHBondContact O-N 3.14Å; L274-K276 VanDerWaalsContact C-N 3.35Å; L274-K276 PolarHBondContact O-N 3.24Å; K276-T279 WeakPolarHBondContact CA-OG1 3.47Å; K276-T279 PolarHBondContact O-OG1 3.31Å |
| 277 | V | 92.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.1 | -40 | 176.4 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | L228 L274 Q275 T279 D280 R283 H288 A291 | L228-V277 HydrophobicContact CB-CG2 4.31Å; L228-V277 HydrophobicContact CD1-CG2 4.31Å; L228-V277 HydrophobicContact CD2-CB 4.5Å; L228-V277 HydrophobicContact CD2-CG2 4.03Å; L228-V277 HydrophobicContact CG-CG2 4.45Å; L274-V277 PolarHBondContact O-N 3.01Å; Q275-V277 PolarHBondContact O-N 2.96Å; V277-T279 VanDerWaalsContact C-N 3.3Å; V277-T279 PolarHBondContact O-N 2.97Å; V277-D280 PolarHBondContact O-N 2.95Å; V277-R283 HydrophobicContact CG1-CG 4.49Å; V277-H288 PolarHBondContact O-CE1 3.26Å; V277-H288 PolarHBondContact O-ND1 3.48Å; V277-A291 HydrophobicContact CB-CB 4.07Å; V277-A291 HydrophobicContact CG1-CB 4.05Å |
| 278 | L | 89.6 | Confident | 91 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -30.3 | 177.6 | -64.6 | 178.1 | 0 | 0 | 0 | 113.3 | L274 Q275 A291 V292 L295 V306 L307 | L274-L278 PolarHBondContact O-N 2.89Å; Q275-L278 PolarHBondContact O-N 2.85Å; L278-A291 HydrophobicContact CD2-CB 4.05Å; L278-A291 HydrophobicContact CG-CB 4.16Å; L278-V292 HydrophobicContact CD2-CG2 3.99Å; L278-L295 HydrophobicContact CD1-CD1 3.64Å; L278-V306 HydrophobicContact CD1-CG1 4.24Å; L278-L307 HydrophobicContact CD1-CD1 3.87Å |
| 279 | T | 90.5 | Very high | 91.2 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9.7 | 178.4 | 51.6 | 0 | 0 | 0 | 0 | 115 | Q275 K276 V277 P281 | Q275-T279 HydrophobicContact CG-CG2 4.36Å; Q275-T279 PolarHBondContact O-N 3.4Å; Q275-T279 PolarHBondContact O-OG1 3.22Å; K276-T279 WeakPolarHBondContact CA-OG1 3.47Å; K276-T279 PolarHBondContact O-OG1 3.31Å; V277-T279 VanDerWaalsContact C-N 3.3Å; V277-T279 PolarHBondContact O-N 2.97Å; T279-P281 WeakPolarHBondContact O-CD 3.48Å |
| 280 | D | 90.1 | Very high | 91.3 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | trans | -109.5 | 95.3 | -173.3 | 178.2 | 1.7 | 0 | 0 | 0 | 110.1 | V277 V282 R283 H288 | V277-D280 PolarHBondContact O-N 2.95Å; D280-V282 PolarHBondContact O-N 3.03Å; D280-V282 PolarHBondContact OD1-N 3.25Å; D280-R283 HydrophobicContact CB-CG 3.86Å; D280-R283 VanDerWaalsContact CG-CG 3.49Å; D280-R283 WeakPolarHBondContact O-CB 3.28Å; D280-R283 PolarHBondContact O-N 2.8Å; D280-R283 VanDerWaalsContact OD2-CG 3.25Å; D280-R283 WeakPolarHBondContact OD2-CG 3.43Å; D280-R283 IonicContact OD2-NE 2.71Å; D280-R283 PolarHBondContact OD2-NE 3.22Å; D280-H288 PolarHBondContact O-CE1 3.35Å; D280-H288 PolarHBondContact O-NE2 2.98Å | ||
| 281 | P | 84.1 | Confident | 91.4 | Very high | 88 Ų | 88 | 43.2 Ų | 43.2 | 57% | 0.571 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -4.3 | -174.6 | 32.2 | -37.4 | 0 | 0 | 0 | 113.8 | T279 | T279-P281 WeakPolarHBondContact O-CD 3.48Š|
| 282 | V | 87.8 | Confident | 91.6 | Very high | 132 Ų | 132 | 42.4 Ų | 42.4 | 80% | 0.8 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.4 | 177.2 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | D280 | D280-V282 PolarHBondContact O-N 3.03Å; D280-V282 PolarHBondContact OD1-N 3.25Å |
| 283 | R | 89.1 | Confident | 91.7 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 23% | 0.23 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -66.6 | 147.6 | 175.2 | -72.8 | -96 | 179.4 | 165.1 | -11.1 | 111.2 | E229 V277 D280 H288 | E229-R283 IonicContact OE1-CZ 3.47Å; E229-R283 IonicContact OE1-NH1 3.94Å; E229-R283 PolarHBondContact OE1-NH1 2.81Å; E229-R283 IonicContact OE1-NH2 3.37Å; V277-R283 HydrophobicContact CG1-CG 4.49Å; D280-R283 HydrophobicContact CB-CG 3.86Å; D280-R283 VanDerWaalsContact CG-CG 3.49Å; D280-R283 WeakPolarHBondContact O-CB 3.28Å; D280-R283 PolarHBondContact O-N 2.8Å; D280-R283 VanDerWaalsContact OD2-CG 3.25Å; D280-R283 WeakPolarHBondContact OD2-CG 3.43Å; D280-R283 IonicContact OD2-NE 2.71Å; D280-R283 PolarHBondContact OD2-NE 3.22Å; R283-H288 PolarHBondContact O-NE2 3.25Å |
| 284 | P | 90.1 | Very high | 91.7 | Very high | 57 Ų | 57 | 36.2 Ų | 36.2 | 37% | 0.37 | 20% | 0.195 | S | C | . | . | trans | -70.8 | 150.4 | 175.9 | 26.8 | -30.4 | 0 | 0 | 0 | 111.6 | P230 C286 S287 H288 | P230-P284 HydrophobicContact CB-CG 3.87Å; P230-P284 HydrophobicContact CG-CG 4.39Å; P284-C286 PolarHBondContact O-N 3.26Å; P284-C286 VanDerWaalsContact O-N 3.12Å; P284-S287 VanDerWaalsContact O-CB 3.3Å; P284-S287 WeakPolarHBondContact O-CB 3.27Å; P284-S287 PolarHBondContact O-N 3.04Å; P284-H288 PolarHBondContact O-CD2 3.49Å; P284-H288 PolarHBondContact O-N 3.12Å | ||
| 285 | L | 90.1 | Very high | 91.8 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57 | -30.9 | -175.9 | -65.9 | 171.1 | 0 | 0 | 0 | 113.5 | S287 H288 Y289 V321 V332 D335 V339 | L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.48Å; L285-H288 PolarHBondContact O-N 3.38Å; L285-Y289 PolarHBondContact O-N 3.07Å; L285-V321 HydrophobicContact CD1-CG1 4.2Å; L285-V332 HydrophobicContact CD1-CG1 3.73Å; L285-V332 WeakPolarHBondContact CD1-O 3.16Å; L285-D335 HydrophobicContact CB-CB 4.11Å; L285-D335 HydrophobicContact CD1-CB 4.01Å; L285-V339 HydrophobicContact CB-CG2 4.11Å; L285-V339 HydrophobicContact CD2-CG2 4.43Å; L285-V339 WeakPolarHBondContact O-CG2 3.47Å |
| 286 | C | 89.9 | Confident | 91.8 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -31.6 | 174.8 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | W242 R245 P284 G290 | W242-C286 HydrophobicContact CH2-CB 4.16Å; W242-C286 HydrophobicContact CZ3-CB 4.29Å; R245-C286 VanDerWaalsContact CD-O 3.31Å; R245-C286 WeakPolarHBondContact CD-O 3.37Å; R245-C286 PolarHBondContact NE-O 3.43Å; R245-C286 PolarHBondContact NH2-SG 3.5Å; R245-C286 VanDerWaalsContact NH2-SG 3.41Å; P284-C286 PolarHBondContact O-N 3.26Å; P284-C286 VanDerWaalsContact O-N 3.12Å; C286-G290 PolarHBondContact O-N 3.03Å |
| 287 | S | 91.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.7 | -43 | 171.5 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | L228 P284 L285 G290 A291 | L228-S287 WeakPolarHBondContact O-CB 3.2Å; L228-S287 PolarHBondContact O-OG 3.1Å; P284-S287 VanDerWaalsContact O-CB 3.3Å; P284-S287 WeakPolarHBondContact O-CB 3.27Å; P284-S287 PolarHBondContact O-N 3.04Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.48Å; S287-G290 PolarHBondContact O-N 3.18Å; S287-A291 PolarHBondContact O-N 3.13Å |
| 288 | H | 93.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.6 | -66.9 | -76.8 | 0 | 0 | 0 | 112.1 | V277 D280 R283 P284 L285 G290 A291 V292 Y314 | V277-H288 PolarHBondContact O-CE1 3.26Å; V277-H288 PolarHBondContact O-ND1 3.48Å; D280-H288 PolarHBondContact O-CE1 3.35Å; D280-H288 PolarHBondContact O-NE2 2.98Å; R283-H288 PolarHBondContact O-NE2 3.25Å; P284-H288 PolarHBondContact O-CD2 3.49Å; P284-H288 PolarHBondContact O-N 3.12Å; L285-H288 PolarHBondContact O-N 3.38Å; H288-G290 PolarHBondContact O-N 3.01Å; H288-A291 WeakPolarHBondContact O-CB 3.48Å; H288-A291 PolarHBondContact O-N 3.33Å; H288-A291 VanDerWaalsContact O-N 3.16Å; H288-V292 WeakPolarHBondContact O-CG2 3.14Å; H288-V292 PolarHBondContact O-N 3.44Å; H288-Y314 HydrophobicContact CB-CE2 4.49Å; H288-Y314 VanDerWaalsContact CB-OH 3.25Å; H288-Y314 WeakPolarHBondContact CB-OH 3.49Å; H288-Y314 AromaticContact CE1-CE2 3.71Å; H288-Y314 AromaticContact CG-CE2 3.92Å; H288-Y314 AromaticContact CG-CZ 3.97Å; H288-Y314 VanDerWaalsContact CG-OH 3.31Å; H288-Y314 AromaticContact ND1-CE2 3.44Å; H288-Y314 WeakPolarHBondContact ND1-CE2 3.46Å; H288-Y314 AromaticContact ND1-CZ 3.92Å |
| 289 | Y | 94.2 | Very high | 91.9 | Very high | 25 Ų | 25 | 31.6 Ų | 31.6 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.9 | -52.4 | 172.6 | 179.2 | -92.6 | 0 | 0 | 0 | 111.4 | W242 R245 D246 L285 A291 V292 V293 K338 A342 | W242-Y289 HydrophobicContact CB-CE1 4.48Å; W242-Y289 AromaticContact CE3-CD1 3.59Å; W242-Y289 HydrophobicContact CE3-CD1 3.59Å; W242-Y289 AromaticContact CE3-CD2 3.98Å; W242-Y289 HydrophobicContact CE3-CD2 3.98Å; W242-Y289 AromaticContact CE3-CE1 3.84Å; W242-Y289 HydrophobicContact CE3-CE1 3.84Å; W242-Y289 HydrophobicContact CE3-CE2 4.21Å; W242-Y289 AromaticContact CE3-CG 3.65Å; W242-Y289 HydrophobicContact CE3-CG 3.65Å; W242-Y289 AromaticContact CZ3-CD1 3.97Å; W242-Y289 HydrophobicContact CZ3-CD1 3.97Å; W242-Y289 AromaticContact CZ3-CD2 3.96Å; W242-Y289 HydrophobicContact CZ3-CD2 3.96Å; W242-Y289 AromaticContact CZ3-CG 3.6Å; W242-Y289 HydrophobicContact CZ3-CG 3.6Å; R245-Y289 HydrophobicContact CB-CD1 4.43Å; R245-Y289 HydrophobicContact CB-CE1 4.47Å; D246-Y289 WeakPolarHBondContact OD1-CE1 3.38Å; D246-Y289 PolarHBondContact OD1-OH 3.4Å; D246-Y289 VanDerWaalsContact OD1-OH 3.05Å; D246-Y289 PolarHBondContact OD2-OH 3.38Å; L285-Y289 PolarHBondContact O-N 3.07Å; Y289-A291 VanDerWaalsContact C-N 3.28Å; Y289-A291 PolarHBondContact O-N 3.23Å; Y289-V292 PolarHBondContact O-N 3.33Å; Y289-V292 VanDerWaalsContact O-N 3.14Å; Y289-V293 HydrophobicContact CD1-CG2 4.07Å; Y289-V293 HydrophobicContact CD2-CG2 4.44Å; Y289-V293 HydrophobicContact CE1-CG2 3.7Å; Y289-V293 HydrophobicContact CE2-CG2 4.1Å; Y289-V293 HydrophobicContact CG-CG2 4.43Å; Y289-V293 WeakPolarHBondContact O-CG2 3.44Å; Y289-V293 PolarHBondContact O-N 3.46Å; Y289-K338 HydrophobicContact CD2-CB 4.19Å; Y289-K338 HydrophobicContact CE2-CB 4.3Å; Y289-A342 HydrophobicContact CD2-CB 3.87Å; Y289-A342 HydrophobicContact CE2-CB 3.77Å |
| 290 | G | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.7 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V227 C286 S287 H288 G294 | V227-G290 WeakPolarHBondContact CG1-O 3.35Å; V227-G290 WeakPolarHBondContact O-CA 3.39Å; C286-G290 PolarHBondContact O-N 3.03Å; S287-G290 PolarHBondContact O-N 3.18Å; H288-G290 PolarHBondContact O-N 3.01Å; G290-G294 PolarHBondContact O-N 2.88Å |
| 291 | A | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L228 V277 L278 S287 H288 Y289 G294 L295 | L228-A291 HydrophobicContact CD2-CB 3.81Å; V277-A291 HydrophobicContact CB-CB 4.07Å; V277-A291 HydrophobicContact CG1-CB 4.05Å; L278-A291 HydrophobicContact CD2-CB 4.05Å; L278-A291 HydrophobicContact CG-CB 4.16Å; S287-A291 PolarHBondContact O-N 3.13Å; H288-A291 WeakPolarHBondContact O-CB 3.48Å; H288-A291 PolarHBondContact O-N 3.33Å; H288-A291 VanDerWaalsContact O-N 3.16Å; Y289-A291 VanDerWaalsContact C-N 3.28Å; Y289-A291 PolarHBondContact O-N 3.23Å; A291-G294 PolarHBondContact O-N 3.02Å; A291-L295 WeakPolarHBondContact O-CG 3.37Å; A291-L295 PolarHBondContact O-N 3.29Å |
| 292 | V | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.9 | -47.7 | 178.2 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | L278 H288 Y289 G294 L295 H296 L307 A342 I343 A346 | L278-V292 HydrophobicContact CD2-CG2 3.99Å; H288-V292 WeakPolarHBondContact O-CG2 3.14Å; H288-V292 PolarHBondContact O-N 3.44Å; Y289-V292 PolarHBondContact O-N 3.33Å; Y289-V292 VanDerWaalsContact O-N 3.14Å; V292-G294 VanDerWaalsContact C-N 3.32Å; V292-G294 PolarHBondContact O-N 3.41Å; V292-L295 PolarHBondContact O-N 3.4Å; V292-H296 PolarHBondContact O-N 3.23Å; V292-L307 HydrophobicContact CG1-CD2 4.41Å; V292-L307 HydrophobicContact CG2-CD1 4.18Å; V292-A342 HydrophobicContact CB-CB 4.44Å; V292-A342 HydrophobicContact CG1-CB 3.9Å; V292-I343 HydrophobicContact CB-CG1 4.42Å; V292-I343 HydrophobicContact CG1-CB 4.5Å; V292-I343 HydrophobicContact CG1-CG1 3.82Å; V292-I343 HydrophobicContact CG2-CD1 4.33Å; V292-I343 HydrophobicContact CG2-CG1 3.76Å; V292-A346 HydrophobicContact CG1-CB 4.24Å |
| 293 | V | 95 | Very high | 92.5 | Very high | 21 Ų | 21 | 23.2 Ų | 23.2 | 13% | 0.127 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 111 | A249 Y289 H296 A297 A342 | A249-V293 HydrophobicContact CB-CB 4.43Å; A249-V293 HydrophobicContact CB-CG1 3.78Å; Y289-V293 HydrophobicContact CD1-CG2 4.07Å; Y289-V293 HydrophobicContact CD2-CG2 4.44Å; Y289-V293 HydrophobicContact CE1-CG2 3.7Å; Y289-V293 HydrophobicContact CE2-CG2 4.1Å; Y289-V293 HydrophobicContact CG-CG2 4.43Å; Y289-V293 WeakPolarHBondContact O-CG2 3.44Å; Y289-V293 PolarHBondContact O-N 3.46Å; V293-H296 PolarHBondContact O-N 3.39Å; V293-A297 WeakPolarHBondContact O-CB 3.42Å; V293-A297 PolarHBondContact O-N 3.39Å; V293-A342 HydrophobicContact CG2-CB 4.03Å |
| 294 | G | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | G290 A291 V292 A297 L298 | G290-G294 PolarHBondContact O-N 2.88Å; A291-G294 PolarHBondContact O-N 3.02Å; V292-G294 VanDerWaalsContact C-N 3.32Å; V292-G294 PolarHBondContact O-N 3.41Å; G294-A297 PolarHBondContact O-N 3.33Å; G294-L298 VanDerWaalsContact O-CG 3.31Å; G294-L298 WeakPolarHBondContact O-CG 3.42Å; G294-L298 PolarHBondContact O-N 2.99Å; G294-L298 VanDerWaalsContact O-N 3.13Å |
| 295 | L | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 175.2 | -70.8 | 172 | 0 | 0 | 0 | 112.2 | L271 L274 L278 A291 V292 L298 G299 A302 V303 V306 L307 | L271-L295 HydrophobicContact CD2-CD2 3.82Å; L274-L295 HydrophobicContact CB-CD2 4.07Å; L274-L295 HydrophobicContact CB-CG 4.14Å; L274-L295 HydrophobicContact CD1-CD2 3.68Å; L274-L295 HydrophobicContact CD1-CG 3.97Å; L278-L295 HydrophobicContact CD1-CD1 3.64Å; A291-L295 WeakPolarHBondContact O-CG 3.37Å; A291-L295 PolarHBondContact O-N 3.29Å; V292-L295 PolarHBondContact O-N 3.4Å; L295-L298 PolarHBondContact O-N 2.96Å; L295-G299 PolarHBondContact O-N 3.48Å; L295-A302 HydrophobicContact CD2-CB 4.05Å; L295-V303 HydrophobicContact CB-CG2 4.35Å; L295-V306 HydrophobicContact CD1-CB 4Å; L295-V306 HydrophobicContact CD1-CG1 3.79Å; L295-V306 HydrophobicContact CD2-CB 3.91Å; L295-V306 HydrophobicContact CD2-CG1 4.15Å; L295-V306 HydrophobicContact CD2-CG2 4.21Å; L295-L307 HydrophobicContact CD1-CB 4.2Å |
| 296 | H | 94.6 | Very high | 92.7 | Very high | 61 Ų | 61 | 26.2 Ų | 26.2 | 28% | 0.282 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 175.6 | 178.2 | 78.1 | 0 | 0 | 0 | 111.8 | V292 V293 L298 G299 A346 | V292-H296 PolarHBondContact O-N 3.23Å; V293-H296 PolarHBondContact O-N 3.39Å; H296-L298 VanDerWaalsContact C-N 3.35Å; H296-L298 PolarHBondContact O-N 2.92Å; H296-G299 WeakPolarHBondContact O-CA 3.5Å; H296-G299 PolarHBondContact O-N 3.45Å; H296-G299 VanDerWaalsContact O-N 3.09Å; H296-A346 HydrophobicContact CB-CB 4.22Å |
| 297 | A | 93.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 26 Ų | 26 | 16% | 0.157 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.9 | -33.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A249 S253 V293 G294 G299 | A249-A297 HydrophobicContact CB-CB 4.25Å; A249-A297 WeakPolarHBondContact O-CB 3.3Å; S253-A297 VanDerWaalsContact CB-O 3.25Å; S253-A297 WeakPolarHBondContact CB-O 3.39Å; S253-A297 PolarHBondContact OG-O 3.42Å; V293-A297 WeakPolarHBondContact O-CB 3.42Å; V293-A297 PolarHBondContact O-N 3.39Å; G294-A297 PolarHBondContact O-N 3.33Å; A297-G299 VanDerWaalsContact C-N 3.29Å |
| 298 | L | 91.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.3 | -25.2 | 172.9 | -69.4 | 167.3 | 0 | 0 | 0 | 112.9 | F256 I270 L271 L274 G294 L295 H296 A302 | F256-L298 HydrophobicContact CB-CD2 4.02Å; F256-L298 HydrophobicContact CD1-CD2 3.86Å; F256-L298 HydrophobicContact CG-CD2 3.99Å; I270-L298 HydrophobicContact CG2-CD1 3.67Å; L271-L298 HydrophobicContact CD2-CD1 4.27Å; L274-L298 HydrophobicContact CD1-CD1 3.53Å; G294-L298 VanDerWaalsContact O-CG 3.31Å; G294-L298 WeakPolarHBondContact O-CG 3.42Å; G294-L298 PolarHBondContact O-N 2.99Å; G294-L298 VanDerWaalsContact O-N 3.13Å; L295-L298 PolarHBondContact O-N 2.96Å; H296-L298 VanDerWaalsContact C-N 3.35Å; H296-L298 PolarHBondContact O-N 2.92Å; L298-A302 HydrophobicContact CB-CB 3.92Å |
| 299 | G | 90.6 | Very high | 92.5 | Very high | 26 Ų | 26 | 31 Ų | 31 | 27% | 0.268 | 15% | 0.151 | S | C | . | . | trans | 113.9 | 169.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L295 H296 A297 K301 A302 V303 | L295-G299 PolarHBondContact O-N 3.48Å; H296-G299 WeakPolarHBondContact O-CA 3.5Å; H296-G299 PolarHBondContact O-N 3.45Å; H296-G299 VanDerWaalsContact O-N 3.09Å; A297-G299 VanDerWaalsContact C-N 3.29Å; G299-K301 VanDerWaalsContact C-N 3.26Å; G299-K301 PolarHBondContact O-N 3.39Å; G299-K301 VanDerWaalsContact O-N 3.08Å; G299-A302 WeakPolarHBondContact O-CB 3.18Å; G299-A302 PolarHBondContact O-N 2.93Å; G299-V303 PolarHBondContact O-N 2.98Å | ||
| 300 | W | 90.1 | Very high | 92.3 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 21% | 0.212 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.6 | -33.5 | -168.6 | 68.3 | -90.4 | 0 | 0 | 0 | 115 | A302 V303 E304 L350 M353 A357 | W300-A302 VanDerWaalsContact C-N 3.28Å; W300-A302 PolarHBondContact O-N 3.07Å; W300-V303 WeakPolarHBondContact O-CB 3.42Å; W300-V303 PolarHBondContact O-N 2.87Å; W300-E304 WeakPolarHBondContact CZ3-OE2 3.47Å; W300-E304 WeakPolarHBondContact O-CB 3.45Å; W300-E304 PolarHBondContact O-N 2.88Å; W300-L350 HydrophobicContact CB-CD1 4.24Å; W300-L350 HydrophobicContact CE3-CD1 3.95Å; W300-M353 HydrophobicContact CB-CB 3.97Å; W300-M353 HydrophobicContact CB-CG 4.21Å; W300-M353 VanDerWaalsContact CD1-CB 3.46Å; W300-M353 HydrophobicContact CD2-CB 4Å; W300-M353 HydrophobicContact CG-CB 3.56Å; W300-M353 HydrophobicContact CG-CG 4.03Å; W300-A357 HydrophobicContact CH2-CB 4.45Å; W300-A357 HydrophobicContact CZ2-CB 4.43Å |
| 301 | K | 90 | Very high | 92.1 | Very high | 111 Ų | 111 | 32.4 Ų | 32.4 | 48% | 0.483 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.6 | -23.9 | 176.5 | -64.2 | -174.6 | 178.2 | -177.5 | 0 | 113.6 | G299 R305 | G299-K301 VanDerWaalsContact C-N 3.26Å; G299-K301 PolarHBondContact O-N 3.39Å; G299-K301 VanDerWaalsContact O-N 3.08Å; K301-R305 WeakPolarHBondContact O-CB 3.25Å; K301-R305 WeakPolarHBondContact O-CD 3.42Å; K301-R305 WeakPolarHBondContact O-CG 3.44Å; K301-R305 PolarHBondContact O-N 3.39Å |
| 302 | A | 91.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -76.7 | -42 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L271 L295 L298 G299 W300 R305 V306 | L271-A302 HydrophobicContact CD2-CB 3.74Å; L295-A302 HydrophobicContact CD2-CB 4.05Å; L298-A302 HydrophobicContact CB-CB 3.92Å; G299-A302 WeakPolarHBondContact O-CB 3.18Å; G299-A302 PolarHBondContact O-N 2.93Å; W300-A302 VanDerWaalsContact C-N 3.28Å; W300-A302 PolarHBondContact O-N 3.07Å; A302-R305 PolarHBondContact O-N 3.16Å; A302-V306 WeakPolarHBondContact O-CB 3.49Å; A302-V306 PolarHBondContact O-N 3.05Å |
| 303 | V | 92.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -60.6 | -47.2 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | L295 G299 W300 R305 L307 Y308 A346 L350 | L295-V303 HydrophobicContact CB-CG2 4.35Å; G299-V303 PolarHBondContact O-N 2.98Å; W300-V303 WeakPolarHBondContact O-CB 3.42Å; W300-V303 PolarHBondContact O-N 2.87Å; V303-R305 VanDerWaalsContact C-N 3.34Å; V303-R305 PolarHBondContact O-N 3.38Å; V303-L307 HydrophobicContact CG1-CB 3.88Å; V303-L307 HydrophobicContact CG1-CD2 3.81Å; V303-L307 HydrophobicContact CG1-CG 4.43Å; V303-L307 WeakPolarHBondContact O-CA 3.02Å; V303-L307 WeakPolarHBondContact O-CB 3.4Å; V303-L307 PolarHBondContact O-N 2.93Å; V303-Y308 PolarHBondContact O-N 2.99Å; V303-A346 HydrophobicContact CG1-CB 4.19Å; V303-A346 HydrophobicContact CG2-CB 4.34Å; V303-L350 HydrophobicContact CG1-CB 4.3Å; V303-L350 HydrophobicContact CG1-CD2 4.19Å |
| 304 | E | 91.2 | Very high | 91.3 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 24% | 0.238 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -61.4 | -38.2 | 178 | -172.1 | 174.9 | -140.6 | 0 | 0 | 113.2 | W300 L350 K354 | W300-E304 WeakPolarHBondContact CZ3-OE2 3.47Å; W300-E304 WeakPolarHBondContact O-CB 3.45Å; W300-E304 PolarHBondContact O-N 2.88Å; E304-L350 HydrophobicContact CB-CD1 3.82Å; E304-L350 HydrophobicContact CG-CD1 4.37Å; E304-K354 IonicContact OE1-NZ 2.74Å; E304-K354 PolarHBondContact OE1-NZ 2.95Å |
| 305 | R | 90.4 | Very high | 91.1 | Very high | 154 Ų | 154 | 41.3 Ų | 41.3 | 58% | 0.581 | 21% | 0.209 | S | C | * | . | I | π-helix | trans | -84.1 | -28 | -176.7 | -71.6 | 174 | -179.3 | 171.9 | -1.9 | 114.3 | K301 A302 V303 | K301-R305 WeakPolarHBondContact O-CB 3.25Å; K301-R305 WeakPolarHBondContact O-CD 3.42Å; K301-R305 WeakPolarHBondContact O-CG 3.44Å; K301-R305 PolarHBondContact O-N 3.39Å; A302-R305 PolarHBondContact O-N 3.16Å; V303-R305 VanDerWaalsContact C-N 3.34Å; V303-R305 PolarHBondContact O-N 3.38Å |
| 306 | V | 91.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -118.2 | -50.5 | -172.1 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | L271 Q275 L278 L295 A302 H310 | L271-V306 HydrophobicContact CB-CG2 4.43Å; L271-V306 HydrophobicContact CD2-CG2 4.07Å; Q275-V306 HydrophobicContact CB-CG1 3.64Å; Q275-V306 HydrophobicContact CG-CG1 4.01Å; L278-V306 HydrophobicContact CD1-CG1 4.24Å; L295-V306 HydrophobicContact CD1-CB 4Å; L295-V306 HydrophobicContact CD1-CG1 3.79Å; L295-V306 HydrophobicContact CD2-CB 3.91Å; L295-V306 HydrophobicContact CD2-CG1 4.15Å; L295-V306 HydrophobicContact CD2-CG2 4.21Å; A302-V306 WeakPolarHBondContact O-CB 3.49Å; A302-V306 PolarHBondContact O-N 3.05Å; V306-H310 PolarHBondContact O-CD2 3.26Å |
| 307 | L | 91.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -72.3 | -47.4 | -176.8 | -172.2 | 63.6 | 0 | 0 | 0 | 111.2 | L278 V292 L295 V303 H310 L311 I343 A346 | L278-L307 HydrophobicContact CD1-CD1 3.87Å; V292-L307 HydrophobicContact CG1-CD2 4.41Å; V292-L307 HydrophobicContact CG2-CD1 4.18Å; L295-L307 HydrophobicContact CD1-CB 4.2Å; V303-L307 HydrophobicContact CG1-CB 3.88Å; V303-L307 HydrophobicContact CG1-CD2 3.81Å; V303-L307 HydrophobicContact CG1-CG 4.43Å; V303-L307 WeakPolarHBondContact O-CA 3.02Å; V303-L307 WeakPolarHBondContact O-CB 3.4Å; V303-L307 PolarHBondContact O-N 2.93Å; L307-H310 PolarHBondContact O-N 3.1Å; L307-L311 HydrophobicContact CG-CD1 4.48Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 PolarHBondContact O-N 3.34Å; L307-I343 HydrophobicContact CD2-CG2 4.35Å; L307-A346 HydrophobicContact CD2-CB 4.02Å |
| 308 | Y | 89.7 | Confident | 90.3 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | -173.6 | -178.2 | -101.4 | 0 | 0 | 0 | 113.9 | V303 H310 L311 L415 I420 E423 L424 | V303-Y308 PolarHBondContact O-N 2.99Å; Y308-H310 VanDerWaalsContact C-N 3.33Å; Y308-H310 PolarHBondContact O-N 3.31Å; Y308-L311 WeakPolarHBondContact O-CB 3.43Å; Y308-L311 PolarHBondContact O-N 3.16Å; Y308-L415 HydrophobicContact CE1-CD1 4Å; Y308-I420 HydrophobicContact CE2-CG1 4.49Å; Y308-I420 HydrophobicContact CE2-CG2 3.91Å; Y308-E423 PolarHBondContact OH-OE2 2.99Å; Y308-L424 HydrophobicContact CD2-CD1 4.33Å; Y308-L424 HydrophobicContact CD2-CD2 4.12Å; Y308-L424 HydrophobicContact CD2-CG 4.45Å; Y308-L424 HydrophobicContact CE2-CD1 4.18Å; Y308-L424 HydrophobicContact CE2-CD2 4.18Å; Y308-L424 HydrophobicContact CE2-CG 4.12Å |
| 309 | P | 90.6 | Very high | 90.2 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 49% | 0.487 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.3 | -28.5 | -179.8 | -21 | 35 | 0 | 0 | 0 | 114.2 | ||
| 310 | H | 89.7 | Confident | 90.1 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -90.6 | -8.9 | 178.9 | -65.3 | -53 | 0 | 0 | 0 | 113 | Q275 V306 L307 Y308 T313 Y314 | Q275-H310 PolarHBondContact NE2-NE2 3.21Å; Q275-H310 VanDerWaalsContact NE2-NE2 3.13Å; V306-H310 PolarHBondContact O-CD2 3.26Å; L307-H310 PolarHBondContact O-N 3.1Å; Y308-H310 VanDerWaalsContact C-N 3.33Å; Y308-H310 PolarHBondContact O-N 3.31Å; H310-T313 PolarHBondContact O-N 3.43Å; H310-Y314 WeakPolarHBondContact O-CB 3.4Å; H310-Y314 PolarHBondContact O-N 3.46Å |
| 311 | L | 89.5 | Confident | 90 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | -174.7 | -167 | 72.3 | 0 | 0 | 0 | 113.8 | L307 Y308 T313 Y314 W315 I343 L424 F427 F428 | L307-L311 HydrophobicContact CG-CD1 4.48Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 PolarHBondContact O-N 3.34Å; Y308-L311 WeakPolarHBondContact O-CB 3.43Å; Y308-L311 PolarHBondContact O-N 3.16Å; L311-T313 PolarHBondContact O-N 2.88Å; L311-Y314 PolarHBondContact O-N 2.85Å; L311-W315 WeakPolarHBondContact O-CB 3.35Å; L311-W315 PolarHBondContact O-N 2.76Å; L311-I343 HydrophobicContact CD1-CG2 3.85Å; L311-L424 HydrophobicContact CD2-CD2 3.36Å; L311-F427 HydrophobicContact CD2-CD2 3.96Å; L311-F427 HydrophobicContact CD2-CE2 4.32Å; L311-F428 HydrophobicContact CD1-CZ 4.29Å; L311-F428 HydrophobicContact CD2-CE2 3.92Å; L311-F428 HydrophobicContact CD2-CZ 4.11Å |
| 312 | P | 89.1 | Confident | 90 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -44.4 | -177.5 | -23.5 | 34.8 | 0 | 0 | 0 | 112.7 | W315 T316 F427 | P312-W315 PolarHBondContact O-N 3.33Å; P312-T316 PolarHBondContact O-N 3.09Å; P312-F427 HydrophobicContact CB-CE1 4.49Å; P312-F427 HydrophobicContact CB-CZ 4.02Å; P312-F427 HydrophobicContact CG-CZ 4Å |
| 313 | T | 89.5 | Confident | 89.9 | Confident | 102 Ų | 102 | 49.7 Ų | 49.7 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -71.3 | -33.3 | 178.4 | -44.3 | 0 | 0 | 0 | 0 | 112.3 | H310 L311 T316 N317 | H310-T313 PolarHBondContact O-N 3.43Å; L311-T313 PolarHBondContact O-N 2.88Å; T313-T316 PolarHBondContact O-OG1 2.92Å; T313-T316 VanDerWaalsContact O-OG1 3.12Å; T313-N317 PolarHBondContact O-ND2 3.28Å |
| 314 | Y | 89.7 | Confident | 89.7 | Confident | 15 Ų | 15 | 52 Ų | 52 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.2 | -36.7 | 176.1 | -170.4 | -101.6 | 0 | 0 | 0 | 111.8 | H288 H310 L311 T316 N317 L318 V339 I343 | H288-Y314 HydrophobicContact CB-CE2 4.49Å; H288-Y314 VanDerWaalsContact CB-OH 3.25Å; H288-Y314 WeakPolarHBondContact CB-OH 3.49Å; H288-Y314 AromaticContact CE1-CE2 3.71Å; H288-Y314 AromaticContact CG-CE2 3.92Å; H288-Y314 AromaticContact CG-CZ 3.97Å; H288-Y314 VanDerWaalsContact CG-OH 3.31Å; H288-Y314 AromaticContact ND1-CE2 3.44Å; H288-Y314 WeakPolarHBondContact ND1-CE2 3.46Å; H288-Y314 AromaticContact ND1-CZ 3.92Å; H310-Y314 WeakPolarHBondContact O-CB 3.4Å; H310-Y314 PolarHBondContact O-N 3.46Å; L311-Y314 PolarHBondContact O-N 2.85Å; Y314-T316 PolarHBondContact O-N 3.31Å; Y314-N317 PolarHBondContact O-N 3Å; Y314-L318 HydrophobicContact CE1-CB 4.23Å; Y314-L318 HydrophobicContact CE1-CD2 4.18Å; Y314-L318 PolarHBondContact O-N 2.96Å; Y314-V339 HydrophobicContact CE1-CG1 4.06Å; Y314-I343 HydrophobicContact CD1-CD1 3.98Å; Y314-I343 HydrophobicContact CE1-CD1 3.74Å |
| 315 | W | 89.9 | Confident | 89.2 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 11% | 0.114 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | -178.3 | 177.1 | -98.1 | 0 | 0 | 0 | 112.3 | L311 P312 N317 L318 Q319 Y340 F427 F428 | L311-W315 WeakPolarHBondContact O-CB 3.35Å; L311-W315 PolarHBondContact O-N 2.76Å; P312-W315 PolarHBondContact O-N 3.33Å; W315-N317 PolarHBondContact O-N 3.48Å; W315-L318 PolarHBondContact O-N 3.07Å; W315-Q319 HydrophobicContact CZ2-CB 4.31Å; W315-Q319 VanDerWaalsContact O-CB 3.29Å; W315-Q319 WeakPolarHBondContact O-CB 3.48Å; W315-Q319 PolarHBondContact O-N 2.82Å; W315-Y340 HydrophobicContact CH2-CD2 4.06Å; W315-Y340 AromaticContact CH2-CE2 3.64Å; W315-Y340 HydrophobicContact CH2-CE2 3.64Å; W315-Y340 AromaticContact CZ3-CD2 3.75Å; W315-Y340 HydrophobicContact CZ3-CD2 3.75Å; W315-Y340 AromaticContact CZ3-CE2 3.65Å; W315-Y340 HydrophobicContact CZ3-CE2 3.65Å; W315-F427 HydrophobicContact CB-CD1 4.11Å; W315-F427 HydrophobicContact CB-CE1 4.46Å; W315-F427 AromaticContact CD1-CD1 3.54Å; W315-F427 HydrophobicContact CD2-CB 3.97Å; W315-F427 HydrophobicContact CD2-CD1 4.21Å; W315-F427 HydrophobicContact CD2-CG 4.42Å; W315-F427 HydrophobicContact CE3-CB 4.26Å; W315-F427 HydrophobicContact CG-CB 4.28Å; W315-F427 AromaticContact CG-CD1 3.63Å; W315-F427 HydrophobicContact CG-CD1 3.63Å; W315-F427 HydrophobicContact CG-CE1 4.35Å; W315-F427 HydrophobicContact CG-CG 4.21Å; W315-F427 VanDerWaalsContact CH2-O 3.32Å; W315-F427 WeakPolarHBondContact CH2-O 3.44Å; W315-F427 WeakPolarHBondContact CZ2-O 3.39Å; W315-F428 HydrophobicContact CE3-CE1 4.07Å; W315-F428 HydrophobicContact CE3-CZ 4.47Å; W315-F428 HydrophobicContact CZ3-CD1 4.04Å; W315-F428 AromaticContact CZ3-CE1 3.67Å; W315-F428 HydrophobicContact CZ3-CE1 3.67Å; W315-F428 HydrophobicContact CZ3-CZ 4.5Å |
| 316 | T | 89.4 | Confident | 89 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.4 | -37.1 | 179.2 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | P312 T313 Y314 A320 | P312-T316 PolarHBondContact O-N 3.09Å; T313-T316 PolarHBondContact O-OG1 2.92Å; T313-T316 VanDerWaalsContact O-OG1 3.12Å; Y314-T316 PolarHBondContact O-N 3.31Å; T316-A320 PolarHBondContact O-N 3.13Å |
| 317 | N | 88.9 | Confident | 88.3 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -75.3 | -41.7 | 179.4 | -60 | -20 | 0 | 0 | 0 | 111.4 | T313 Y314 W315 V321 | T313-N317 PolarHBondContact O-ND2 3.28Å; Y314-N317 PolarHBondContact O-N 3Å; W315-N317 PolarHBondContact O-N 3.48Å; N317-V321 PolarHBondContact O-N 3.04Å |
| 318 | L | 89.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 176.5 | -176.7 | 64.3 | 0 | 0 | 0 | 111.5 | Y314 W315 A320 V321 L322 V339 I343 | Y314-L318 HydrophobicContact CE1-CB 4.23Å; Y314-L318 HydrophobicContact CE1-CD2 4.18Å; Y314-L318 PolarHBondContact O-N 2.96Å; W315-L318 PolarHBondContact O-N 3.07Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.4Å; L318-V321 WeakPolarHBondContact O-CB 3.4Å; L318-V321 PolarHBondContact O-N 3.06Å; L318-V321 VanDerWaalsContact O-N 3.11Å; L318-L322 HydrophobicContact CG-CD1 4.13Å; L318-L322 HydrophobicContact CG-CG 4.41Å; L318-L322 WeakPolarHBondContact O-CG 3.09Å; L318-L322 PolarHBondContact O-N 3.02Å; L318-V339 HydrophobicContact CD1-CB 4.42Å; L318-V339 HydrophobicContact CD1-CG1 4.45Å; L318-V339 HydrophobicContact CD2-CG1 4.44Å; L318-I343 HydrophobicContact CD2-CD1 4.09Å |
| 319 | Q | 89.8 | Confident | 87.6 | Confident | 80 Ų | 80 | 65.7 Ų | 65.7 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 178.2 | -179.7 | 171.2 | -5.8 | 0 | 0 | 111.3 | W315 V321 L322 D323 | W315-Q319 HydrophobicContact CZ2-CB 4.31Å; W315-Q319 VanDerWaalsContact O-CB 3.29Å; W315-Q319 WeakPolarHBondContact O-CB 3.48Å; W315-Q319 PolarHBondContact O-N 2.82Å; Q319-V321 PolarHBondContact O-N 3.42Å; Q319-L322 PolarHBondContact O-N 3.01Å; Q319-D323 WeakPolarHBondContact CG-OD2 3.46Å; Q319-D323 PolarHBondContact NE2-OD2 3.21Å; Q319-D323 VanDerWaalsContact NE2-OD2 3.13Å; Q319-D323 WeakPolarHBondContact O-CB 3.42Å; Q319-D323 PolarHBondContact O-N 3.32Å |
| 320 | A | 88.9 | Confident | 87.3 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 55% | 0.554 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.6 | -31.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T316 L318 D324 | T316-A320 PolarHBondContact O-N 3.13Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.4Å; A320-D324 PolarHBondContact O-N 2.84Å |
| 321 | V | 88.1 | Confident | 87.2 | Confident | 41 Ų | 41 | 66.9 Ų | 66.9 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -76.6 | -35.2 | 174.4 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | L285 N317 L318 Q319 V332 | L285-V321 HydrophobicContact CD1-CG1 4.2Å; N317-V321 PolarHBondContact O-N 3.04Å; L318-V321 WeakPolarHBondContact O-CB 3.4Å; L318-V321 PolarHBondContact O-N 3.06Å; L318-V321 VanDerWaalsContact O-N 3.11Å; Q319-V321 PolarHBondContact O-N 3.42Å; V321-V332 HydrophobicContact CG1-CG1 3.9Å |
| 322 | L | 88.9 | Confident | 87.1 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -75.3 | -31.4 | 178 | -65.1 | 176.7 | 0 | 0 | 0 | 112.5 | L318 Q319 D324 K333 Y340 | L318-L322 HydrophobicContact CG-CD1 4.13Å; L318-L322 HydrophobicContact CG-CG 4.41Å; L318-L322 WeakPolarHBondContact O-CG 3.09Å; L318-L322 PolarHBondContact O-N 3.02Å; Q319-L322 PolarHBondContact O-N 3.01Å; L322-D324 VanDerWaalsContact C-N 3.33Å; L322-K333 WeakPolarHBondContact O-CE 3.25Å; L322-K333 PolarHBondContact O-NZ 3.24Å; L322-Y340 HydrophobicContact CD1-CD2 4.06Å; L322-Y340 HydrophobicContact CD1-CG 4.29Å |
| 323 | D | 89.4 | Confident | 87.1 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -84.7 | -3.6 | 178.5 | -70.9 | -25.6 | 0 | 0 | 0 | 113 | Q319 Y325 | Q319-D323 WeakPolarHBondContact CG-OD2 3.46Å; Q319-D323 PolarHBondContact NE2-OD2 3.21Å; Q319-D323 VanDerWaalsContact NE2-OD2 3.13Å; Q319-D323 WeakPolarHBondContact O-CB 3.42Å; Q319-D323 PolarHBondContact O-N 3.32Å; D323-Y325 WeakPolarHBondContact O-CD2 3.31Å; D323-Y325 WeakPolarHBondContact O-CE2 3.48Å |
| 324 | D | 87.8 | Confident | 87 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | trans | -74.9 | 123.3 | 171 | -170.3 | -10.2 | 0 | 0 | 0 | 110.6 | A320 L322 S326 N329 K333 | A320-D324 PolarHBondContact O-N 2.84Å; L322-D324 VanDerWaalsContact C-N 3.33Å; D324-S326 VanDerWaalsContact CG-OG 3.29Å; D324-S326 WeakPolarHBondContact OD1-CB 3.45Å; D324-S326 PolarHBondContact OD1-N 3.11Å; D324-S326 PolarHBondContact OD1-OG 3.01Å; D324-S326 PolarHBondContact OD2-OG 3.45Å; D324-N329 WeakPolarHBondContact OD2-CB 3.17Å; D324-N329 PolarHBondContact OD2-ND2 3.07Å; D324-K333 WeakPolarHBondContact O-CD 3.28Å; D324-K333 PolarHBondContact O-NZ 2.96Å | ||
| 325 | Y | 82.1 | Confident | 87.1 | Confident | 191 Ų | 191 | 67.1 Ų | 67.1 | 75% | 0.749 | 38% | 0.383 | S | S | * | . | trans | -108 | 10.5 | 177.9 | -66.2 | -87.4 | 0 | 0 | 0 | 113.1 | D323 | D323-Y325 WeakPolarHBondContact O-CD2 3.31Å; D323-Y325 WeakPolarHBondContact O-CE2 3.48Å | ||
| 326 | S | 86.1 | Confident | 87.1 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | trans | -68.8 | 133.1 | 176.9 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | D324 S328 N329 | D324-S326 VanDerWaalsContact CG-OG 3.29Å; D324-S326 WeakPolarHBondContact OD1-CB 3.45Å; D324-S326 PolarHBondContact OD1-N 3.11Å; D324-S326 PolarHBondContact OD1-OG 3.01Å; D324-S326 PolarHBondContact OD2-OG 3.45Å; S326-S328 PolarHBondContact O-N 3.4Å; S326-S328 PolarHBondContact OG-OG 3.4Å; S326-N329 PolarHBondContact O-N 3.15Å; S326-N329 VanDerWaalsContact O-N 3.1Å; S326-N329 WeakPolarHBondContact OG-CB 3.01Å; S326-N329 PolarHBondContact OG-ND2 3Å | ||
| 327 | V | 78 | Confident | 87.2 | Confident | 137 Ų | 137 | 66.2 Ų | 66.2 | 83% | 0.83 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -63.1 | -30.2 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | N329 A330 | V327-N329 VanDerWaalsContact C-N 3.28Å; V327-N329 PolarHBondContact O-N 3.24Å; V327-A330 WeakPolarHBondContact O-CB 3.3Å; V327-A330 PolarHBondContact O-N 3.3Å |
| 328 | S | 79.3 | Confident | 87.4 | Confident | 101 Ų | 101 | 67.6 Ų | 67.6 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -61.2 | -31.7 | 174.6 | 43.4 | 0 | 0 | 0 | 0 | 113.7 | S326 | S326-S328 PolarHBondContact O-N 3.4Å; S326-S328 PolarHBondContact OG-OG 3.4Å |
| 329 | N | 85.4 | Confident | 87.6 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 34% | 0.342 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -103.2 | 11.9 | -174.9 | -64.7 | -14.1 | 0 | 0 | 0 | 113.1 | D324 S326 V327 Q331 V332 K333 | D324-N329 WeakPolarHBondContact OD2-CB 3.17Å; D324-N329 PolarHBondContact OD2-ND2 3.07Å; S326-N329 PolarHBondContact O-N 3.15Å; S326-N329 VanDerWaalsContact O-N 3.1Å; S326-N329 WeakPolarHBondContact OG-CB 3.01Å; S326-N329 PolarHBondContact OG-ND2 3Å; V327-N329 VanDerWaalsContact C-N 3.28Å; V327-N329 PolarHBondContact O-N 3.24Å; N329-Q331 VanDerWaalsContact C-N 3.26Å; N329-Q331 PolarHBondContact O-N 3.41Å; N329-V332 PolarHBondContact O-N 3.21Å; N329-K333 PolarHBondContact O-N 3Å |
| 330 | A | 85.8 | Confident | 87.7 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.6 | -37.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V327 A334 | V327-A330 WeakPolarHBondContact O-CB 3.3Å; V327-A330 PolarHBondContact O-N 3.3Å; A330-A334 PolarHBondContact O-N 3.23Å |
| 331 | Q | 85.9 | Confident | 87.9 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 174.7 | -176.6 | 62.3 | 43.3 | 0 | 0 | 111.9 | N329 K333 A334 D335 | N329-Q331 VanDerWaalsContact C-N 3.26Å; N329-Q331 PolarHBondContact O-N 3.41Å; Q331-K333 VanDerWaalsContact C-N 3.27Å; Q331-K333 PolarHBondContact O-N 3.26Å; Q331-A334 WeakPolarHBondContact O-CB 3.48Å; Q331-A334 PolarHBondContact O-N 2.68Å; Q331-A334 VanDerWaalsContact O-N 3.12Å; Q331-D335 PolarHBondContact NE2-OD1 3.37Å; Q331-D335 PolarHBondContact O-N 3.26Å |
| 332 | V | 87.6 | Confident | 88.1 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 40% | 0.4 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 179.1 | -172 | 0 | 0 | 0 | 0 | 110.4 | L285 V321 N329 D335 G336 | L285-V332 HydrophobicContact CD1-CG1 3.73Å; L285-V332 WeakPolarHBondContact CD1-O 3.16Å; V321-V332 HydrophobicContact CG1-CG1 3.9Å; N329-V332 PolarHBondContact O-N 3.21Å; V332-D335 PolarHBondContact O-N 3.5Å; V332-G336 PolarHBondContact O-N 3.03Å |
| 333 | K | 89.2 | Confident | 88.3 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 17% | 0.17 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 172.1 | -170.8 | 177.9 | -167.7 | 130.4 | 0 | 112.4 | L322 D324 N329 Q331 G336 H337 | L322-K333 WeakPolarHBondContact O-CE 3.25Å; L322-K333 PolarHBondContact O-NZ 3.24Å; D324-K333 WeakPolarHBondContact O-CD 3.28Å; D324-K333 PolarHBondContact O-NZ 2.96Å; N329-K333 PolarHBondContact O-N 3Å; Q331-K333 VanDerWaalsContact C-N 3.27Å; Q331-K333 PolarHBondContact O-N 3.26Å; K333-G336 PolarHBondContact O-N 3.18Å; K333-H337 PolarHBondContact O-CD2 3.33Å; K333-H337 PolarHBondContact O-N 3.34Å |
| 334 | A | 88.8 | Confident | 88.5 | Confident | 47 Ų | 47 | 57.8 Ų | 57.8 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A330 Q331 G336 H337 K338 | A330-A334 PolarHBondContact O-N 3.23Å; Q331-A334 WeakPolarHBondContact O-CB 3.48Å; Q331-A334 PolarHBondContact O-N 2.68Å; Q331-A334 VanDerWaalsContact O-N 3.12Å; A334-G336 VanDerWaalsContact C-N 3.34Å; A334-H337 PolarHBondContact O-N 3.24Å; A334-K338 PolarHBondContact O-N 2.95Å; A334-K338 VanDerWaalsContact O-N 3.17Å |
| 335 | D | 89.9 | Confident | 88.7 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 18% | 0.176 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 174.2 | -64.3 | -5.1 | 0 | 0 | 0 | 111.3 | W242 L285 Q331 V332 H337 K338 V339 | W242-D335 HydrophobicContact CH2-CB 4.06Å; W242-D335 HydrophobicContact CZ2-CB 4.29Å; W242-D335 WeakPolarHBondContact CZ2-OD1 3.49Å; L285-D335 HydrophobicContact CB-CB 4.11Å; L285-D335 HydrophobicContact CD1-CB 4.01Å; Q331-D335 PolarHBondContact NE2-OD1 3.37Å; Q331-D335 PolarHBondContact O-N 3.26Å; V332-D335 PolarHBondContact O-N 3.5Å; D335-H337 PolarHBondContact O-N 3.17Å; D335-K338 WeakPolarHBondContact O-CB 3.4Å; D335-K338 PolarHBondContact O-N 3.22Å; D335-K338 VanDerWaalsContact O-N 3.14Å; D335-V339 PolarHBondContact O-N 3.18Å; D335-V339 VanDerWaalsContact O-N 3.1Å |
| 336 | G | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V332 K333 A334 K338 V339 Y340 | V332-G336 PolarHBondContact O-N 3.03Å; K333-G336 PolarHBondContact O-N 3.18Å; A334-G336 VanDerWaalsContact C-N 3.34Å; G336-K338 VanDerWaalsContact C-N 3.31Å; G336-K338 PolarHBondContact O-N 3.03Å; G336-V339 PolarHBondContact O-N 3.17Å; G336-Y340 WeakPolarHBondContact O-CB 3.26Å; G336-Y340 PolarHBondContact O-N 3.14Å |
| 337 | H | 91.5 | Very high | 89.5 | Confident | 96 Ų | 96 | 47.5 Ų | 47.5 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -31.4 | 174 | -75.9 | -64.6 | 0 | 0 | 0 | 113 | K333 A334 D335 G341 | K333-H337 PolarHBondContact O-CD2 3.33Å; K333-H337 PolarHBondContact O-N 3.34Å; A334-H337 PolarHBondContact O-N 3.24Å; D335-H337 PolarHBondContact O-N 3.17Å; H337-G341 PolarHBondContact O-N 2.96Å |
| 338 | K | 91.8 | Very high | 90.1 | Very high | 105 Ų | 105 | 42.8 Ų | 42.8 | 46% | 0.457 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 171.8 | -66.7 | -77.9 | -172.2 | 165.8 | 0 | 111.4 | W242 Y289 A334 D335 G336 G341 A342 | W242-K338 HydrophobicContact CD2-CG 4.47Å; W242-K338 HydrophobicContact CE3-CB 4.31Å; W242-K338 HydrophobicContact CH2-CB 4.16Å; W242-K338 HydrophobicContact CH2-CG 4.34Å; W242-K338 HydrophobicContact CZ2-CG 4.26Å; W242-K338 HydrophobicContact CZ3-CB 4.01Å; W242-K338 HydrophobicContact CZ3-CG 4.48Å; Y289-K338 HydrophobicContact CD2-CB 4.19Å; Y289-K338 HydrophobicContact CE2-CB 4.3Å; A334-K338 PolarHBondContact O-N 2.95Å; A334-K338 VanDerWaalsContact O-N 3.17Å; D335-K338 WeakPolarHBondContact O-CB 3.4Å; D335-K338 PolarHBondContact O-N 3.22Å; D335-K338 VanDerWaalsContact O-N 3.14Å; G336-K338 VanDerWaalsContact C-N 3.31Å; G336-K338 PolarHBondContact O-N 3.03Å; K338-G341 PolarHBondContact O-N 3.36Å; K338-A342 PolarHBondContact O-N 2.69Å |
| 339 | V | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.1 | 179 | 0 | 0 | 0 | 0 | 110.9 | L285 Y314 L318 D335 G336 G341 A342 I343 | L285-V339 HydrophobicContact CB-CG2 4.11Å; L285-V339 HydrophobicContact CD2-CG2 4.43Å; L285-V339 WeakPolarHBondContact O-CG2 3.47Å; Y314-V339 HydrophobicContact CE1-CG1 4.06Å; L318-V339 HydrophobicContact CD1-CB 4.42Å; L318-V339 HydrophobicContact CD1-CG1 4.45Å; L318-V339 HydrophobicContact CD2-CG1 4.44Å; D335-V339 PolarHBondContact O-N 3.18Å; D335-V339 VanDerWaalsContact O-N 3.1Å; G336-V339 PolarHBondContact O-N 3.17Å; V339-G341 VanDerWaalsContact C-N 3.34Å; V339-G341 PolarHBondContact O-N 3.19Å; V339-A342 PolarHBondContact O-N 2.74Å; V339-A342 VanDerWaalsContact O-N 3.16Å; V339-I343 HydrophobicContact CG1-CD1 3.84Å; V339-I343 HydrophobicContact CG1-CG1 4.38Å; V339-I343 WeakPolarHBondContact O-CG1 3.39Å; V339-I343 PolarHBondContact O-N 2.93Å |
| 340 | Y | 93.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 41 Ų | 41 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.3 | -47.5 | 176 | 176.8 | -102.4 | 0 | 0 | 0 | 112.2 | W315 L322 G336 A342 I343 L344 F428 S431 | W315-Y340 HydrophobicContact CH2-CD2 4.06Å; W315-Y340 AromaticContact CH2-CE2 3.64Å; W315-Y340 HydrophobicContact CH2-CE2 3.64Å; W315-Y340 AromaticContact CZ3-CD2 3.75Å; W315-Y340 HydrophobicContact CZ3-CD2 3.75Å; W315-Y340 AromaticContact CZ3-CE2 3.65Å; W315-Y340 HydrophobicContact CZ3-CE2 3.65Å; L322-Y340 HydrophobicContact CD1-CD2 4.06Å; L322-Y340 HydrophobicContact CD1-CG 4.29Å; G336-Y340 WeakPolarHBondContact O-CB 3.26Å; G336-Y340 PolarHBondContact O-N 3.14Å; Y340-A342 PolarHBondContact O-N 3.41Å; Y340-I343 PolarHBondContact O-N 3.29Å; Y340-L344 HydrophobicContact CD1-CD1 3.93Å; Y340-L344 HydrophobicContact CE1-CD1 3.37Å; Y340-L344 HydrophobicContact CE1-CG 4.18Å; Y340-L344 PolarHBondContact O-N 3.12Å; Y340-F428 HydrophobicContact CD2-CD1 4.43Å; Y340-F428 HydrophobicContact CD2-CE1 4.32Å; Y340-F428 AromaticContact CE2-CD1 3.66Å; Y340-F428 HydrophobicContact CE2-CD1 3.66Å; Y340-F428 AromaticContact CE2-CE1 3.99Å; Y340-F428 HydrophobicContact CE2-CE1 3.99Å; Y340-S431 WeakPolarHBondContact OH-CB 3.47Å; Y340-S431 PolarHBondContact OH-OG 2.71Å; Y340-S431 VanDerWaalsContact OH-OG 3.07Å |
| 341 | G | 92.4 | Very high | 91 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H337 K338 V339 L344 V345 | H337-G341 PolarHBondContact O-N 2.96Å; K338-G341 PolarHBondContact O-N 3.36Å; V339-G341 VanDerWaalsContact C-N 3.34Å; V339-G341 PolarHBondContact O-N 3.19Å; G341-L344 PolarHBondContact O-N 3.39Å; G341-V345 WeakPolarHBondContact O-CG2 3.48Å; G341-V345 PolarHBondContact O-N 2.88Å; G341-V345 VanDerWaalsContact O-N 3.1Å |
| 342 | A | 93.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y289 V292 V293 K338 V339 Y340 V345 A346 | Y289-A342 HydrophobicContact CD2-CB 3.87Å; Y289-A342 HydrophobicContact CE2-CB 3.77Å; V292-A342 HydrophobicContact CB-CB 4.44Å; V292-A342 HydrophobicContact CG1-CB 3.9Å; V293-A342 HydrophobicContact CG2-CB 4.03Å; K338-A342 PolarHBondContact O-N 2.69Å; V339-A342 PolarHBondContact O-N 2.74Å; V339-A342 VanDerWaalsContact O-N 3.16Å; Y340-A342 PolarHBondContact O-N 3.41Å; A342-V345 PolarHBondContact O-N 3.41Å; A342-A346 WeakPolarHBondContact O-CB 3.33Å; A342-A346 PolarHBondContact O-N 3.03Å |
| 343 | I | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 176.6 | -67.1 | 171.9 | 0 | 0 | 0 | 110.5 | V292 L307 L311 Y314 L318 V339 Y340 V345 A346 V347 F428 | V292-I343 HydrophobicContact CB-CG1 4.42Å; V292-I343 HydrophobicContact CG1-CB 4.5Å; V292-I343 HydrophobicContact CG1-CG1 3.82Å; V292-I343 HydrophobicContact CG2-CD1 4.33Å; V292-I343 HydrophobicContact CG2-CG1 3.76Å; L307-I343 HydrophobicContact CD2-CG2 4.35Å; L311-I343 HydrophobicContact CD1-CG2 3.85Å; Y314-I343 HydrophobicContact CD1-CD1 3.98Å; Y314-I343 HydrophobicContact CE1-CD1 3.74Å; L318-I343 HydrophobicContact CD2-CD1 4.09Å; V339-I343 HydrophobicContact CG1-CD1 3.84Å; V339-I343 HydrophobicContact CG1-CG1 4.38Å; V339-I343 WeakPolarHBondContact O-CG1 3.39Å; V339-I343 PolarHBondContact O-N 2.93Å; Y340-I343 PolarHBondContact O-N 3.29Å; I343-V345 VanDerWaalsContact C-N 3.34Å; I343-V345 PolarHBondContact O-N 3.22Å; I343-A346 PolarHBondContact O-N 3.49Å; I343-V347 HydrophobicContact CG2-CG2 4.28Å; I343-V347 WeakPolarHBondContact O-CB 3.46Å; I343-V347 WeakPolarHBondContact O-CG2 3.44Å; I343-V347 PolarHBondContact O-N 2.86Å; I343-F428 HydrophobicContact CG2-CE1 3.91Å; I343-F428 HydrophobicContact CG2-CE2 4.39Å; I343-F428 HydrophobicContact CG2-CZ 3.43Å; I343-F428 VanDerWaalsContact CG2-CZ 3.43Å |
| 344 | L | 91.8 | Very high | 91 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.4 | -47.3 | 175.1 | -81.4 | 177 | 0 | 0 | 0 | 112 | Y340 G341 A346 V347 E348 F428 | Y340-L344 HydrophobicContact CD1-CD1 3.93Å; Y340-L344 HydrophobicContact CE1-CD1 3.37Å; Y340-L344 HydrophobicContact CE1-CG 4.18Å; Y340-L344 PolarHBondContact O-N 3.12Å; G341-L344 PolarHBondContact O-N 3.39Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.2Å; L344-V347 PolarHBondContact O-N 3.19Å; L344-E348 VanDerWaalsContact O-CB 3.25Å; L344-E348 WeakPolarHBondContact O-CB 3.46Å; L344-E348 PolarHBondContact O-N 3.45Å; L344-F428 HydrophobicContact CD2-CB 3.78Å; L344-F428 HydrophobicContact CD2-CD1 3.44Å; L344-F428 VanDerWaalsContact CD2-CD1 3.44Å; L344-F428 HydrophobicContact CD2-CD2 4.33Å; L344-F428 HydrophobicContact CD2-CE1 4.18Å; L344-F428 HydrophobicContact CD2-CG 3.57Å; L344-F428 HydrophobicContact CG-CD1 4.07Å; L344-F428 HydrophobicContact CG-CE1 4.47Å |
| 345 | V | 92.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 36.2 Ų | 36.2 | 40% | 0.4 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 178.6 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | G341 A342 I343 R349 | G341-V345 WeakPolarHBondContact O-CG2 3.48Å; G341-V345 PolarHBondContact O-N 2.88Å; G341-V345 VanDerWaalsContact O-N 3.1Å; A342-V345 PolarHBondContact O-N 3.41Å; I343-V345 VanDerWaalsContact C-N 3.34Å; I343-V345 PolarHBondContact O-N 3.22Å; V345-R349 WeakPolarHBondContact O-CB 3.28Å; V345-R349 PolarHBondContact O-N 3.15Å; V345-R349 VanDerWaalsContact O-N 3.08Å |
| 346 | A | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V292 H296 V303 L307 A342 I343 L344 R349 L350 | V292-A346 HydrophobicContact CG1-CB 4.24Å; H296-A346 HydrophobicContact CB-CB 4.22Å; V303-A346 HydrophobicContact CG1-CB 4.19Å; V303-A346 HydrophobicContact CG2-CB 4.34Å; L307-A346 HydrophobicContact CD2-CB 4.02Å; A342-A346 WeakPolarHBondContact O-CB 3.33Å; A342-A346 PolarHBondContact O-N 3.03Å; I343-A346 PolarHBondContact O-N 3.49Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.2Å; A346-R349 PolarHBondContact O-N 3.27Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 PolarHBondContact O-N 2.92Å |
| 347 | V | 92.1 | Very high | 90 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.9 | -44.1 | 177.6 | 159.7 | 0 | 0 | 0 | 0 | 111.9 | I343 L344 R349 L350 L351 L424 F428 L432 | I343-V347 HydrophobicContact CG2-CG2 4.28Å; I343-V347 WeakPolarHBondContact O-CB 3.46Å; I343-V347 WeakPolarHBondContact O-CG2 3.44Å; I343-V347 PolarHBondContact O-N 2.86Å; L344-V347 PolarHBondContact O-N 3.19Å; V347-R349 VanDerWaalsContact C-N 3.31Å; V347-R349 PolarHBondContact O-N 3.2Å; V347-L350 WeakPolarHBondContact O-CB 3.34Å; V347-L350 PolarHBondContact O-N 3.16Å; V347-L351 HydrophobicContact CG1-CD1 3.98Å; V347-L351 WeakPolarHBondContact O-CG 3.46Å; V347-L351 PolarHBondContact O-N 3.41Å; V347-L424 HydrophobicContact CG1-CB 4.28Å; V347-L424 HydrophobicContact CG1-CD1 3.87Å; V347-L424 HydrophobicContact CG1-CD2 4.25Å; V347-L424 HydrophobicContact CG1-CG 4.36Å; V347-L424 HydrophobicContact CG2-CD2 4.07Å; V347-F428 HydrophobicContact CG1-CD2 4.4Å; V347-F428 HydrophobicContact CG1-CE2 4.34Å; V347-F428 HydrophobicContact CG2-CE2 4Å; V347-F428 HydrophobicContact CG2-CZ 4.48Å; V347-L432 HydrophobicContact CG1-CD1 3.79Å |
| 348 | E | 90.8 | Very high | 89.1 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.6 | -46.2 | 175 | -173.9 | -162.1 | 135.8 | 0 | 0 | 110.6 | L344 L351 K352 R435 F436 | L344-E348 VanDerWaalsContact O-CB 3.25Å; L344-E348 WeakPolarHBondContact O-CB 3.46Å; L344-E348 PolarHBondContact O-N 3.45Å; E348-L351 PolarHBondContact O-N 3.07Å; E348-K352 HydrophobicContact CG-CD 4.15Å; E348-K352 WeakPolarHBondContact O-CB 3.32Å; E348-K352 WeakPolarHBondContact O-CG 3.48Å; E348-K352 PolarHBondContact O-N 2.9Å; E348-K352 WeakPolarHBondContact OE1-CE 3.44Å; E348-K352 IonicContact OE1-NZ 3Å; E348-K352 PolarHBondContact OE1-NZ 3.47Å; E348-R435 HydrophobicContact CG-CB 4.04Å; E348-R435 WeakPolarHBondContact OE2-CB 3.4Å; E348-R435 WeakPolarHBondContact OE2-CD 3.33Å; E348-R435 WeakPolarHBondContact OE2-CG 3.25Å; E348-F436 HydrophobicContact CB-CZ 4.5Å; E348-F436 HydrophobicContact CG-CE2 4.12Å; E348-F436 HydrophobicContact CG-CZ 3.91Å |
| 349 | R | 89.3 | Confident | 87.6 | Confident | 123 Ų | 123 | 43.5 Ų | 43.5 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 176.7 | -173.2 | 59.5 | 171.5 | -179.3 | -0.8 | 112.1 | V345 A346 V347 M353 | V345-R349 WeakPolarHBondContact O-CB 3.28Å; V345-R349 PolarHBondContact O-N 3.15Å; V345-R349 VanDerWaalsContact O-N 3.08Å; A346-R349 PolarHBondContact O-N 3.27Å; V347-R349 VanDerWaalsContact C-N 3.31Å; V347-R349 PolarHBondContact O-N 3.2Å; R349-M353 HydrophobicContact CG-CG 4.31Å; R349-M353 VanDerWaalsContact CZ-SD 3.52Å; R349-M353 WeakPolarHBondContact O-CB 3.46Å; R349-M353 WeakPolarHBondContact O-CG 3.35Å; R349-M353 PolarHBondContact O-N 3.46Å |
| 350 | L | 90.6 | Very high | 85.7 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -53.3 | 174.4 | 170.9 | 60.2 | 0 | 0 | 0 | 111.1 | W300 V303 E304 A346 V347 M353 K354 | W300-L350 HydrophobicContact CB-CD1 4.24Å; W300-L350 HydrophobicContact CE3-CD1 3.95Å; V303-L350 HydrophobicContact CG1-CB 4.3Å; V303-L350 HydrophobicContact CG1-CD2 4.19Å; E304-L350 HydrophobicContact CB-CD1 3.82Å; E304-L350 HydrophobicContact CG-CD1 4.37Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 PolarHBondContact O-N 2.92Å; V347-L350 WeakPolarHBondContact O-CB 3.34Å; V347-L350 PolarHBondContact O-N 3.16Å; L350-M353 PolarHBondContact O-N 2.64Å; L350-K354 VanDerWaalsContact O-CB 3.31Å; L350-K354 WeakPolarHBondContact O-CB 3.43Å; L350-K354 PolarHBondContact O-N 2.81Å |
| 351 | L | 89.6 | Confident | 83.7 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | -179.6 | -72.6 | 165.5 | 0 | 0 | 0 | 112 | V347 E348 M353 K354 A355 I420 Y421 L424 L432 F436 | V347-L351 HydrophobicContact CG1-CD1 3.98Å; V347-L351 WeakPolarHBondContact O-CG 3.46Å; V347-L351 PolarHBondContact O-N 3.41Å; E348-L351 PolarHBondContact O-N 3.07Å; L351-M353 PolarHBondContact O-N 2.9Å; L351-K354 PolarHBondContact O-N 3.46Å; L351-A355 WeakPolarHBondContact O-CB 3.34Å; L351-A355 PolarHBondContact O-N 3.47Å; L351-I420 HydrophobicContact CD2-CG2 4.1Å; L351-Y421 HydrophobicContact CD1-CD2 3.99Å; L351-Y421 HydrophobicContact CD2-CD2 4.32Å; L351-L424 HydrophobicContact CD1-CD1 4.33Å; L351-L424 HydrophobicContact CD2-CD1 4.32Å; L351-L424 HydrophobicContact CG-CD1 4.34Å; L351-L432 HydrophobicContact CD1-CD1 4.12Å; L351-L432 HydrophobicContact CD1-CD2 4.19Å; L351-F436 HydrophobicContact CB-CE1 4.38Å; L351-F436 HydrophobicContact CB-CZ 3.75Å; L351-F436 HydrophobicContact CD1-CE2 4Å; L351-F436 HydrophobicContact CD1-CZ 4.01Å |
| 352 | K | 89.3 | Confident | 81.3 | Confident | 72 Ų | 72 | 63.4 Ų | 63.4 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 177.3 | -73.4 | 179.6 | 178 | 176.3 | 0 | 112.2 | E348 Q356 F436 | E348-K352 HydrophobicContact CG-CD 4.15Å; E348-K352 WeakPolarHBondContact O-CB 3.32Å; E348-K352 WeakPolarHBondContact O-CG 3.48Å; E348-K352 PolarHBondContact O-N 2.9Å; E348-K352 WeakPolarHBondContact OE1-CE 3.44Å; E348-K352 IonicContact OE1-NZ 3Å; E348-K352 PolarHBondContact OE1-NZ 3.47Å; K352-Q356 WeakPolarHBondContact O-CG 3.48Å; K352-Q356 PolarHBondContact O-N 3.04Å; K352-F436 HydrophobicContact CD-CE1 4.3Å; K352-F436 HydrophobicContact CG-CE1 3.61Å; K352-F436 HydrophobicContact CG-CZ 4.12Å |
| 353 | M | 88.4 | Confident | 78.5 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 20% | 0.197 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.3 | -35.2 | 179.2 | -65.5 | -58 | -50 | 0 | 0 | 112.7 | W300 R349 L350 L351 Q356 A357 | W300-M353 HydrophobicContact CB-CB 3.97Å; W300-M353 HydrophobicContact CB-CG 4.21Å; W300-M353 VanDerWaalsContact CD1-CB 3.46Å; W300-M353 HydrophobicContact CD2-CB 4Å; W300-M353 HydrophobicContact CG-CB 3.56Å; W300-M353 HydrophobicContact CG-CG 4.03Å; R349-M353 HydrophobicContact CG-CG 4.31Å; R349-M353 VanDerWaalsContact CZ-SD 3.52Å; R349-M353 WeakPolarHBondContact O-CB 3.46Å; R349-M353 WeakPolarHBondContact O-CG 3.35Å; R349-M353 PolarHBondContact O-N 3.46Å; L350-M353 PolarHBondContact O-N 2.64Å; L351-M353 PolarHBondContact O-N 2.9Å; M353-Q356 PolarHBondContact O-N 3.37Å; M353-A357 WeakPolarHBondContact O-CB 3.46Å; M353-A357 PolarHBondContact O-N 3.48Å |
| 354 | K | 85.8 | Confident | 75.8 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.2 | -34.1 | 176.8 | -166.2 | 163 | -178.6 | 162.5 | 0 | 111.7 | E304 L350 L351 A357 A358 L417 I420 | E304-K354 IonicContact OE1-NZ 2.74Å; E304-K354 PolarHBondContact OE1-NZ 2.95Å; L350-K354 VanDerWaalsContact O-CB 3.31Å; L350-K354 WeakPolarHBondContact O-CB 3.43Å; L350-K354 PolarHBondContact O-N 2.81Å; L351-K354 PolarHBondContact O-N 3.46Å; K354-A357 PolarHBondContact O-N 3.36Å; K354-A358 WeakPolarHBondContact O-CB 3.49Å; K354-A358 PolarHBondContact O-N 3.39Å; K354-L417 HydrophobicContact CB-CD1 4.21Å; K354-L417 HydrophobicContact CG-CD1 4.27Å; K354-I420 HydrophobicContact CD-CD1 4.01Å |
| 355 | A | 85.3 | Confident | 73 | Confident | 43 Ų | 43 | 78 Ų | 78 | 36% | 0.355 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L351 A357 A358 E359 L417 | L351-A355 WeakPolarHBondContact O-CB 3.34Å; L351-A355 PolarHBondContact O-N 3.47Å; A355-A357 VanDerWaalsContact C-N 3.27Å; A355-A357 PolarHBondContact O-N 3.27Å; A355-A358 PolarHBondContact O-N 2.99Å; A355-A358 VanDerWaalsContact O-N 3.14Å; A355-E359 PolarHBondContact O-N 2.93Å; A355-L417 HydrophobicContact CB-CD1 3.73Å; A355-L417 VanDerWaalsContact N-CD1 3.27Å |
| 356 | Q | 84.3 | Confident | 70.1 | Confident | 132 Ų | 132 | 78.4 Ų | 78.4 | 62% | 0.617 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.8 | -30.3 | 175.9 | -70.8 | 173.7 | -2.9 | 0 | 0 | 113.2 | K352 M353 | K352-Q356 WeakPolarHBondContact O-CG 3.48Å; K352-Q356 PolarHBondContact O-N 3.04Å; M353-Q356 PolarHBondContact O-N 3.37Å |
| 357 | A | 79.8 | Confident | 67.2 | Low | 62 Ų | 62 | 82.6 Ų | 82.6 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -78.5 | -23.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W300 M353 K354 A355 | W300-A357 HydrophobicContact CH2-CB 4.45Å; W300-A357 HydrophobicContact CZ2-CB 4.43Å; M353-A357 WeakPolarHBondContact O-CB 3.46Å; M353-A357 PolarHBondContact O-N 3.48Å; K354-A357 PolarHBondContact O-N 3.36Å; A355-A357 VanDerWaalsContact C-N 3.27Å; A355-A357 PolarHBondContact O-N 3.27Å |
| 358 | A | 72.8 | Confident | 64.2 | Low | 62 Ų | 62 | 91.2 Ų | 91.2 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -85.9 | -10.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K354 A355 P360 | K354-A358 WeakPolarHBondContact O-CB 3.49Å; K354-A358 PolarHBondContact O-N 3.39Å; A355-A358 PolarHBondContact O-N 2.99Å; A355-A358 VanDerWaalsContact O-N 3.14Å; A358-P360 WeakPolarHBondContact O-CD 3.5Å |
| 359 | E | 59.4 | Low | 61.1 | Low | 132 Ų | 132 | 93 Ų | 93 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | trans | -106.3 | 70 | 176.2 | -78.3 | -72.9 | 149 | 0 | 0 | 112.2 | A355 N361 | A355-E359 PolarHBondContact O-N 2.93Å; E359-N361 PolarHBondContact O-N 3.44Å; E359-N361 VanDerWaalsContact O-N 3.07Å | ||
| 360 | P | 53.8 | Low | 58.4 | Low | 111 Ų | 111 | 94.8 Ų | 94.8 | 72% | 0.721 | 57% | 0.568 | S | S | * | * | trans | -75.3 | 98.2 | 168.7 | 32.8 | -32.4 | 0 | 0 | 0 | 109.7 | A358 | A358-P360 WeakPolarHBondContact O-CD 3.5Š| ||
| 361 | N | 51.6 | Low | 55.5 | Low | 143 Ų | 143 | 104.7 Ų | 104.7 | 77% | 0.765 | 61% | 0.605 | S | S | * | * | trans | 74.2 | 67.5 | 156.9 | -161.7 | 34.7 | 0 | 0 | 0 | 117.4 | E359 | E359-N361 PolarHBondContact O-N 3.44Å; E359-N361 VanDerWaalsContact O-N 3.07Å | ||
| 362 | R | 41.9 | Very low | 52.9 | Low | 231 Ų | 231 | 111.3 Ų | 111.3 | 87% | 0.872 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -100 | 101.7 | 153.6 | -102.8 | -170.6 | 174.3 | -143.8 | 0.5 | 111.5 | ||
| 363 | G | 33.6 | Very low | 50.2 | Low | 74 Ų | 74 | 111.2 Ų | 111.2 | 76% | 0.763 | 66% | 0.661 | S | S | * | * | trans | 86.2 | 106.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 364 | G | 36.5 | Very low | 47.7 | Very low | 68 Ų | 68 | 117.8 Ų | 117.8 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | trans | -84.4 | 135.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 365 | L | 34.6 | Very low | 45 | Very low | 187 Ų | 187 | 122.7 Ų | 122.7 | 98% | 0.979 | 72% | 0.719 | S | S | * | * | trans | 171.4 | 99.5 | 140.1 | -94.2 | 166.7 | 0 | 0 | 0 | 108.2 | ||||
| 366 | G | 31.5 | Very low | 42.8 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | trans | 140.9 | 61.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R368 | G366-R368 PolarHBondContact O-N 3.37Š| ||
| 367 | G | 30.6 | Very low | 40.3 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 92% | 0.918 | 74% | 0.735 | S | S | * | * | trans | -71 | 69 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G369 | G367-G369 PolarHBondContact O-N 2.89Š| ||
| 368 | R | 28.9 | Very low | 38.3 | Very low | 184 Ų | 184 | 129 Ų | 129 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | trans | -76.2 | 91.1 | 169.1 | -158.9 | 175.1 | -158.7 | -122.5 | 0.7 | 108.6 | G366 Y370 | G366-R368 PolarHBondContact O-N 3.37Å; R368-Y370 VanDerWaalsContact C-N 3.31Å; R368-Y370 HydrophobicContact CB-CD2 4.4Å; R368-Y370 HydrophobicContact CB-CE2 4.3Å; R368-Y370 HydrophobicContact CG-CD2 4.25Å; R368-Y370 HydrophobicContact CG-CE2 4.03Å; R368-Y370 VanDerWaalsContact NH1-CZ 3.27Å; R368-Y370 PolarHBondContact NH1-OH 2.9Å; R368-Y370 WeakPolarHBondContact O-CD2 3.2Å; R368-Y370 PolarHBondContact O-N 3.49Å | ||
| 369 | G | 27 | Very low | 36.4 | Very low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -65.6 | 86.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G367 R371 | G367-G369 PolarHBondContact O-N 2.89Å; G369-R371 PolarHBondContact O-N 3.35Å | ||
| 370 | Y | 32.5 | Very low | 35.2 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 63% | 0.627 | 75% | 0.75 | S | S | * | * | trans | -65.4 | 103.3 | 174.1 | -87.4 | -90.9 | 0 | 0 | 0 | 110.4 | R368 | R368-Y370 VanDerWaalsContact C-N 3.31Å; R368-Y370 HydrophobicContact CB-CD2 4.4Å; R368-Y370 HydrophobicContact CB-CE2 4.3Å; R368-Y370 HydrophobicContact CG-CD2 4.25Å; R368-Y370 HydrophobicContact CG-CE2 4.03Å; R368-Y370 VanDerWaalsContact NH1-CZ 3.27Å; R368-Y370 PolarHBondContact NH1-OH 2.9Å; R368-Y370 WeakPolarHBondContact O-CD2 3.2Å; R368-Y370 PolarHBondContact O-N 3.49Å | ||
| 371 | R | 28 | Very low | 34.6 | Very low | 213 Ų | 213 | 130.4 Ų | 130.4 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -68.2 | 141.7 | 148.4 | -73.7 | -179.8 | 166.3 | -173.8 | -6.4 | 107.8 | G369 A373 | G369-R371 PolarHBondContact O-N 3.35Å; R371-A373 VanDerWaalsContact C-N 3.28Å; R371-A373 PolarHBondContact O-N 3.31Å | ||
| 372 | P | 34.9 | Very low | 34.2 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 94% | 0.942 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -70.4 | 88.7 | 168.9 | -12.2 | 27.8 | 0 | 0 | 0 | 109.2 | ||
| 373 | A | 34 | Very low | 33.7 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 58% | 0.579 | 73% | 0.727 | S | S | * | * | trans | -145.5 | 130 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | R371 | R371-A373 VanDerWaalsContact C-N 3.28Å; R371-A373 PolarHBondContact O-N 3.31Å | ||
| 374 | E | 34.5 | Very low | 33.8 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 61 | 68.8 | 161.9 | -62 | 169.9 | -174.5 | 0 | 0 | 115.7 | ||
| 375 | D | 29.6 | Very low | 33.2 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -155.1 | 65.5 | 151.4 | -94.8 | -36.4 | 0 | 0 | 0 | 108.9 | ||||
| 376 | L | 39.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | trans | -124.9 | 118.4 | 168.3 | -78.4 | 171.8 | 0 | 0 | 0 | 108.2 | W378 | L376-W378 PolarHBondContact O-N 3.32Š| ||
| 377 | P | 32.6 | Very low | 32.5 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 39 | -174.1 | 34.8 | -37.8 | 0 | 0 | 0 | 113 | ||
| 378 | W | 38.1 | Very low | 32.5 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 56% | 0.561 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | -8.5 | -171.5 | -62.3 | 111.2 | 0 | 0 | 0 | 114.6 | L376 S380 L381 | L376-W378 PolarHBondContact O-N 3.32Å; W378-S380 PolarHBondContact O-N 3.1Å; W378-L381 HydrophobicContact CE3-CD1 3.69Å; W378-L381 HydrophobicContact CE3-CG 4.4Å; W378-L381 HydrophobicContact CZ3-CD1 4.03Å; W378-L381 PolarHBondContact O-N 2.86Å |
| 379 | D | 31.4 | Very low | 32.5 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -63 | -22.7 | 171.7 | -87.5 | -44.6 | 0 | 0 | 0 | 112.2 | L381 L382 | D379-L381 PolarHBondContact O-N 3.46Å; D379-L381 VanDerWaalsContact O-N 3.13Å; D379-L382 PolarHBondContact O-N 3.28Å |
| 380 | S | 34.5 | Very low | 32.4 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -65 | -10.6 | 177.4 | -53.1 | 0 | 0 | 0 | 0 | 115.5 | W378 | W378-S380 PolarHBondContact O-N 3.1Š|
| 381 | L | 41.6 | Very low | 32 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 57% | 0.565 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -84.1 | -10.1 | -179.5 | -70.7 | -178.4 | 0 | 0 | 0 | 114.3 | W378 D379 | W378-L381 HydrophobicContact CE3-CD1 3.69Å; W378-L381 HydrophobicContact CE3-CG 4.4Å; W378-L381 HydrophobicContact CZ3-CD1 4.03Å; W378-L381 PolarHBondContact O-N 2.86Å; D379-L381 PolarHBondContact O-N 3.46Å; D379-L381 VanDerWaalsContact O-N 3.13Å |
| 382 | L | 42.9 | Very low | 31.9 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 40% | 0.398 | 76% | 0.755 | S | S | . | * | S | Bend | trans | -140.8 | 59.9 | -170 | -69 | 173.2 | 0 | 0 | 0 | 114.7 | D379 | D379-L382 PolarHBondContact O-N 3.28Š|
| 383 | L | 32.5 | Very low | 31.5 | Very low | 175 Ų | 175 | 128 Ų | 128 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | trans | 95.9 | 136.9 | 168.8 | -62 | 158.3 | 0 | 0 | 0 | 117.8 | ||||
| 384 | Q | 33.8 | Very low | 31.1 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -102.9 | 116.5 | -177.2 | 170.5 | -172.5 | 1 | 0 | 0 | 110.1 | ||||
| 385 | E | 25 | Very low | 30.7 | Very low | 194 Ų | 194 | 125 Ų | 125 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | -160.5 | 152.3 | 151.7 | -88.5 | -133.4 | 130.5 | 0 | 0 | 110.1 | ||||
| 386 | S | 23.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -129.6 | 140.1 | -173.8 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 387 | P | 28.2 | Very low | 29.9 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -117.6 | 156.3 | 161 | 34.9 | -23.7 | 0 | 0 | 0 | 113.2 | ||||
| 388 | P | 30.2 | Very low | 29.7 | Very low | 133 Ų | 133 | 128 Ų | 128 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -85.1 | 159.4 | -168.8 | 34.2 | -36.7 | 0 | 0 | 0 | 114.6 | ||||
| 389 | G | 27.3 | Very low | 29 | Very low | 86 Ų | 86 | 124.4 Ų | 124.4 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -84.4 | 175.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 390 | G | 25 | Very low | 28.7 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -168.2 | 122.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 391 | S | 25 | Very low | 28.6 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -83.2 | 151.5 | -171.6 | 53.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 392 | S | 26.3 | Very low | 28 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | 171.4 | 134.9 | 121.4 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 393 | E | 25.8 | Very low | 27.4 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -91.9 | 153.6 | 170.9 | -61.5 | -168.2 | 137.4 | 0 | 0 | 112.5 | ||||
| 394 | T | 24.9 | Very low | 27.6 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | trans | -155.1 | 131.3 | 144 | 41.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 395 | G | 27.7 | Very low | 27.2 | Very low | 66 Ų | 66 | 122.3 Ų | 122.3 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | trans | -118.4 | 158.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 396 | F | 24.2 | Very low | 27.3 | Very low | 226 Ų | 226 | 120 Ų | 120 | 99% | 0.991 | 82% | 0.82 | S | S | * | * | trans | -160.2 | 152.2 | 162 | -101.1 | -75.6 | 0 | 0 | 0 | 108.1 | ||||
| 397 | G | 27.3 | Very low | 27.8 | Very low | 63 Ų | 63 | 119.1 Ų | 119.1 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | trans | -142.2 | -162.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 398 | S | 27.5 | Very low | 27.8 | Very low | 138 Ų | 138 | 116.1 Ų | 116.1 | 97% | 0.965 | 81% | 0.81 | S | S | * | * | trans | 74.4 | 138.5 | -169.7 | -46.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 399 | G | 24.5 | Very low | 28 | Very low | 73 Ų | 73 | 116 Ų | 116 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | cis | -164.9 | -166.6 | -7.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 400 | L | 25.2 | Very low | 28.1 | Very low | 169 Ų | 169 | 120.9 Ų | 120.9 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | cis | -142 | 170.5 | 3.3 | -111.5 | 90.4 | 0 | 0 | 0 | 108.7 | ||||
| 401 | P | 32.7 | Very low | 28.2 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 155.5 | -179.4 | 37.4 | -34.2 | 0 | 0 | 0 | 115 | ||
| 402 | P | 27.8 | Very low | 28.8 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 166.4 | 161.3 | 36.3 | -31.5 | 0 | 0 | 0 | 112.2 | ||
| 403 | P | 30.5 | Very low | 29.7 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 162.6 | -153.3 | 34.8 | -37.5 | 0 | 0 | 0 | 116.4 | ||
| 404 | S | 36 | Very low | 30.9 | Very low | 132 Ų | 132 | 119.8 Ų | 119.8 | 92% | 0.923 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 151.2 | 177.1 | -48.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 405 | G | 26.2 | Very low | 32.9 | Very low | 72 Ų | 72 | 118 Ų | 118 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 126.3 | 126.3 | 180 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 406 | V | 26.5 | Very low | 35.4 | Very low | 146 Ų | 146 | 118.3 Ų | 118.3 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | cis | -133.3 | 147 | 21.7 | 170.4 | 0 | 0 | 0 | 0 | 109.9 | G408 | V406-G408 PolarHBondContact O-N 3.33Š| ||
| 407 | A | 35.9 | Very low | 38.2 | Very low | 99 Ų | 99 | 110.4 Ų | 110.4 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 117.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 408 | G | 27.2 | Very low | 40.8 | Very low | 56 Ų | 56 | 110 Ų | 110 | 58% | 0.577 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 158.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V406 | V406-G408 PolarHBondContact O-N 3.33Š|
| 409 | P | 34 | Very low | 43.5 | Very low | 131 Ų | 131 | 106.1 Ų | 106.1 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66 | 139.6 | -177 | 28.7 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 410 | E | 29.5 | Very low | 46.4 | Very low | 188 Ų | 188 | 102.9 Ų | 102.9 | 88% | 0.879 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 134.5 | 176.3 | -61.2 | -170 | 127.6 | 0 | 0 | 111.1 | ||
| 411 | D | 27.4 | Very low | 49.4 | Very low | 139 Ų | 139 | 97.8 Ų | 97.8 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 128.3 | 175.7 | -75.2 | -50.4 | 0 | 0 | 0 | 111 | S413 | D411-S413 VanDerWaalsContact C-N 3.3Å; D411-S413 PolarHBondContact O-N 2.91Å |
| 412 | P | 38.1 | Very low | 51.9 | Low | 132 Ų | 132 | 101.2 Ų | 101.2 | 86% | 0.857 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 68.9 | -175.8 | 33.6 | -36.7 | 0 | 0 | 0 | 112.2 | ||
| 413 | S | 44.9 | Very low | 54.7 | Low | 105 Ų | 105 | 99.8 Ų | 99.8 | 73% | 0.734 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.6 | 24.6 | 171.8 | 53.4 | 0 | 0 | 0 | 0 | 116.2 | D411 L415 | D411-S413 VanDerWaalsContact C-N 3.3Å; D411-S413 PolarHBondContact O-N 2.91Å; S413-L415 PolarHBondContact O-N 3.42Å; S413-L415 VanDerWaalsContact O-N 3.14Å |
| 414 | S | 51.6 | Low | 57.4 | Low | 106 Ų | 106 | 93.7 Ų | 93.7 | 74% | 0.741 | 57% | 0.574 | S | S | * | * | trans | -81.7 | 87 | 172.4 | 48.8 | 0 | 0 | 0 | 0 | 112 | T416 | S414-T416 PolarHBondContact O-N 3.16Š| ||
| 415 | L | 65.9 | Low | 59.9 | Low | 82 Ų | 82 | 91.6 Ų | 91.6 | 43% | 0.429 | 55% | 0.546 | S | S | . | . | trans | -52.7 | 128.7 | 169.1 | -70.5 | 173.6 | 0 | 0 | 0 | 110.3 | Y308 S413 I420 | Y308-L415 HydrophobicContact CE1-CD1 4Å; S413-L415 PolarHBondContact O-N 3.42Å; S413-L415 VanDerWaalsContact O-N 3.14Å; L415-I420 HydrophobicContact CB-CD1 4.05Å; L415-I420 HydrophobicContact CB-CG1 3.95Å | ||
| 416 | T | 80.3 | Confident | 62.8 | Low | 73 Ų | 73 | 92.5 Ų | 92.5 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | trans | -70 | 158 | -177.5 | 81.6 | 0 | 0 | 0 | 0 | 110.4 | S414 A418 D419 I420 | S414-T416 PolarHBondContact O-N 3.16Å; T416-A418 PolarHBondContact O-N 3.28Å; T416-A418 PolarHBondContact OG1-N 2.94Å; T416-D419 WeakPolarHBondContact CB-OD2 3.44Å; T416-D419 WeakPolarHBondContact CG2-OD2 3.42Å; T416-D419 PolarHBondContact N-OD2 3.36Å; T416-D419 PolarHBondContact O-N 2.89Å; T416-D419 VanDerWaalsContact OG1-CG 3.23Å; T416-D419 PolarHBondContact OG1-N 3.49Å; T416-D419 PolarHBondContact OG1-OD2 2.91Å; T416-I420 WeakPolarHBondContact O-CG1 3.49Å; T416-I420 PolarHBondContact O-N 3.29Å; T416-I420 VanDerWaalsContact O-N 3.11Å | ||
| 417 | L | 83.2 | Confident | 65.6 | Low | 60 Ų | 60 | 87.7 Ų | 87.7 | 31% | 0.314 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -32.9 | 176.6 | -175.9 | 147.7 | 0 | 0 | 0 | 112.1 | K354 A355 Y421 | K354-L417 HydrophobicContact CB-CD1 4.21Å; K354-L417 HydrophobicContact CG-CD1 4.27Å; A355-L417 HydrophobicContact CB-CD1 3.73Å; A355-L417 VanDerWaalsContact N-CD1 3.27Å; L417-Y421 WeakPolarHBondContact O-CB 3.44Å; L417-Y421 PolarHBondContact O-N 2.89Å |
| 418 | A | 81.7 | Confident | 68 | Low | 53 Ų | 53 | 83.3 Ų | 83.3 | 44% | 0.438 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T416 Y421 R422 | T416-A418 PolarHBondContact O-N 3.28Å; T416-A418 PolarHBondContact OG1-N 2.94Å; A418-Y421 PolarHBondContact O-N 3.12Å; A418-R422 VanDerWaalsContact O-CG 3.3Å; A418-R422 WeakPolarHBondContact O-CG 3.28Å; A418-R422 PolarHBondContact O-N 2.81Å |
| 419 | D | 85.3 | Confident | 70.8 | Confident | 57 Ų | 57 | 81.7 Ų | 81.7 | 31% | 0.305 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.5 | -45.2 | 177.9 | -54.8 | -47.9 | 0 | 0 | 0 | 110.7 | T416 Y421 R422 E423 | T416-D419 WeakPolarHBondContact CB-OD2 3.44Å; T416-D419 WeakPolarHBondContact CG2-OD2 3.42Å; T416-D419 PolarHBondContact N-OD2 3.36Å; T416-D419 PolarHBondContact O-N 2.89Å; T416-D419 VanDerWaalsContact OG1-CG 3.23Å; T416-D419 PolarHBondContact OG1-N 3.49Å; T416-D419 PolarHBondContact OG1-OD2 2.91Å; D419-Y421 VanDerWaalsContact C-N 3.31Å; D419-Y421 PolarHBondContact O-N 3.05Å; D419-R422 WeakPolarHBondContact O-CB 3.47Å; D419-R422 PolarHBondContact O-N 3.28Å; D419-R422 VanDerWaalsContact O-N 3.11Å; D419-E423 PolarHBondContact O-N 3.47Å |
| 420 | I | 85.1 | Confident | 73.1 | Confident | 6 Ų | 6 | 80.6 Ų | 80.6 | 3% | 0.031 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.2 | -66.5 | 167.7 | 0 | 0 | 0 | 110.9 | Y308 L351 K354 L415 T416 L424 | Y308-I420 HydrophobicContact CE2-CG1 4.49Å; Y308-I420 HydrophobicContact CE2-CG2 3.91Å; L351-I420 HydrophobicContact CD2-CG2 4.1Å; K354-I420 HydrophobicContact CD-CD1 4.01Å; L415-I420 HydrophobicContact CB-CD1 4.05Å; L415-I420 HydrophobicContact CB-CG1 3.95Å; T416-I420 WeakPolarHBondContact O-CG1 3.49Å; T416-I420 PolarHBondContact O-N 3.29Å; T416-I420 VanDerWaalsContact O-N 3.11Å; I420-L424 HydrophobicContact CG2-CD1 3.56Å; I420-L424 HydrophobicContact CG2-CG 4.47Å; I420-L424 WeakPolarHBondContact O-CB 3.21Å; I420-L424 WeakPolarHBondContact O-CD1 3.49Å; I420-L424 WeakPolarHBondContact O-CG 3.31Å; I420-L424 PolarHBondContact O-N 2.95Å |
| 421 | Y | 86.9 | Confident | 75.7 | Confident | 62 Ų | 62 | 74 Ų | 74 | 24% | 0.243 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 175.1 | -177.3 | -92.9 | 0 | 0 | 0 | 112 | L351 L417 A418 D419 L424 Y425 L432 F436 | L351-Y421 HydrophobicContact CD1-CD2 3.99Å; L351-Y421 HydrophobicContact CD2-CD2 4.32Å; L417-Y421 WeakPolarHBondContact O-CB 3.44Å; L417-Y421 PolarHBondContact O-N 2.89Å; A418-Y421 PolarHBondContact O-N 3.12Å; D419-Y421 VanDerWaalsContact C-N 3.31Å; D419-Y421 PolarHBondContact O-N 3.05Å; Y421-L424 PolarHBondContact O-N 3.12Å; Y421-Y425 AromaticContact CE1-CD2 3.84Å; Y421-Y425 HydrophobicContact CE1-CD2 3.84Å; Y421-Y425 AromaticContact CZ-CD2 3.91Å; Y421-Y425 VanDerWaalsContact O-CB 3.29Å; Y421-Y425 WeakPolarHBondContact O-CB 3.33Å; Y421-Y425 PolarHBondContact O-N 2.92Å; Y421-L432 HydrophobicContact CD2-CD2 4.39Å; Y421-L432 HydrophobicContact CE2-CD2 4.1Å; Y421-L432 HydrophobicContact CE2-CG 4.38Å; Y421-F436 HydrophobicContact CE2-CD2 4.44Å |
| 422 | R | 85.9 | Confident | 78.4 | Confident | 181 Ų | 181 | 67.3 Ų | 67.3 | 68% | 0.683 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 178.2 | -76.9 | 168.4 | 170.1 | -177.2 | -4 | 112.5 | A418 D419 Y425 S426 | A418-R422 VanDerWaalsContact O-CG 3.3Å; A418-R422 WeakPolarHBondContact O-CG 3.28Å; A418-R422 PolarHBondContact O-N 2.81Å; D419-R422 WeakPolarHBondContact O-CB 3.47Å; D419-R422 PolarHBondContact O-N 3.28Å; D419-R422 VanDerWaalsContact O-N 3.11Å; R422-Y425 PolarHBondContact O-N 3.23Å; R422-S426 PolarHBondContact O-N 3.04Å; R422-S426 VanDerWaalsContact O-N 3.15Å |
| 423 | E | 87.1 | Confident | 80.4 | Confident | 88 Ų | 88 | 61.2 Ų | 61.2 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 175 | -71.8 | -174.7 | 174.8 | 0 | 0 | 111.3 | Y308 D419 Y425 S426 F427 | Y308-E423 PolarHBondContact OH-OE2 2.99Å; D419-E423 PolarHBondContact O-N 3.47Å; E423-Y425 VanDerWaalsContact C-N 3.3Å; E423-Y425 PolarHBondContact O-N 3Å; E423-S426 PolarHBondContact O-N 2.69Å; E423-S426 VanDerWaalsContact O-N 3.14Å; E423-S426 PolarHBondContact O-OG 3.46Å; E423-F427 WeakPolarHBondContact O-CD2 3.43Å; E423-F427 WeakPolarHBondContact O-CE2 3.3Å |
| 424 | L | 87.6 | Confident | 82 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.6 | -30.8 | 179.3 | -64.6 | 166.8 | 0 | 0 | 0 | 112.1 | Y308 L311 V347 L351 I420 Y421 S426 F427 F428 L432 | Y308-L424 HydrophobicContact CD2-CD1 4.33Å; Y308-L424 HydrophobicContact CD2-CD2 4.12Å; Y308-L424 HydrophobicContact CD2-CG 4.45Å; Y308-L424 HydrophobicContact CE2-CD1 4.18Å; Y308-L424 HydrophobicContact CE2-CD2 4.18Å; Y308-L424 HydrophobicContact CE2-CG 4.12Å; L311-L424 HydrophobicContact CD2-CD2 3.36Å; V347-L424 HydrophobicContact CG1-CB 4.28Å; V347-L424 HydrophobicContact CG1-CD1 3.87Å; V347-L424 HydrophobicContact CG1-CD2 4.25Å; V347-L424 HydrophobicContact CG1-CG 4.36Å; V347-L424 HydrophobicContact CG2-CD2 4.07Å; L351-L424 HydrophobicContact CD1-CD1 4.33Å; L351-L424 HydrophobicContact CD2-CD1 4.32Å; L351-L424 HydrophobicContact CG-CD1 4.34Å; I420-L424 HydrophobicContact CG2-CD1 3.56Å; I420-L424 HydrophobicContact CG2-CG 4.47Å; I420-L424 WeakPolarHBondContact O-CB 3.21Å; I420-L424 WeakPolarHBondContact O-CD1 3.49Å; I420-L424 WeakPolarHBondContact O-CG 3.31Å; I420-L424 PolarHBondContact O-N 2.95Å; Y421-L424 PolarHBondContact O-N 3.12Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 2.87Å; L424-F427 PolarHBondContact O-N 3.38Å; L424-F428 HydrophobicContact CB-CD2 4.39Å; L424-F428 HydrophobicContact CD2-CE2 4.04Å; L424-F428 WeakPolarHBondContact O-CD2 3.12Å; L424-F428 PolarHBondContact O-N 3.21Å; L424-L432 HydrophobicContact CB-CD2 3.98Å |
| 425 | Y | 87.3 | Confident | 83.2 | Confident | 88 Ų | 88 | 61.2 Ų | 61.2 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.7 | -35 | 171.8 | -162.4 | -78.5 | 0 | 0 | 0 | 112.2 | Y421 R422 E423 F427 G429 D430 A433 | Y421-Y425 AromaticContact CE1-CD2 3.84Å; Y421-Y425 HydrophobicContact CE1-CD2 3.84Å; Y421-Y425 AromaticContact CZ-CD2 3.91Å; Y421-Y425 VanDerWaalsContact O-CB 3.29Å; Y421-Y425 WeakPolarHBondContact O-CB 3.33Å; Y421-Y425 PolarHBondContact O-N 2.92Å; R422-Y425 PolarHBondContact O-N 3.23Å; E423-Y425 VanDerWaalsContact C-N 3.3Å; E423-Y425 PolarHBondContact O-N 3Å; Y425-F427 VanDerWaalsContact C-N 3.26Å; Y425-F427 PolarHBondContact O-N 2.94Å; Y425-G429 VanDerWaalsContact O-CA 3.29Å; Y425-G429 WeakPolarHBondContact O-CA 3.27Å; Y425-G429 PolarHBondContact O-N 2.96Å; Y425-D430 PolarHBondContact OH-OD1 2.99Å; Y425-A433 HydrophobicContact CE2-CB 4.06Å |
| 426 | S | 87.1 | Confident | 83.4 | Confident | 91 Ų | 91 | 60.6 Ų | 60.6 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.9 | -28.9 | 179.8 | 79.6 | 0 | 0 | 0 | 0 | 112.8 | R422 E423 L424 | R422-S426 PolarHBondContact O-N 3.04Å; R422-S426 VanDerWaalsContact O-N 3.15Å; E423-S426 PolarHBondContact O-N 2.69Å; E423-S426 VanDerWaalsContact O-N 3.14Å; E423-S426 PolarHBondContact O-OG 3.46Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 2.87Å |
| 427 | F | 85.7 | Confident | 82.3 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 20% | 0.197 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -83.1 | -45.8 | 173.7 | -54.6 | -57.4 | 0 | 0 | 0 | 112.9 | L311 P312 W315 E423 L424 Y425 | L311-F427 HydrophobicContact CD2-CD2 3.96Å; L311-F427 HydrophobicContact CD2-CE2 4.32Å; P312-F427 HydrophobicContact CB-CE1 4.49Å; P312-F427 HydrophobicContact CB-CZ 4.02Å; P312-F427 HydrophobicContact CG-CZ 4Å; W315-F427 HydrophobicContact CB-CD1 4.11Å; W315-F427 HydrophobicContact CB-CE1 4.46Å; W315-F427 AromaticContact CD1-CD1 3.54Å; W315-F427 HydrophobicContact CD2-CB 3.97Å; W315-F427 HydrophobicContact CD2-CD1 4.21Å; W315-F427 HydrophobicContact CD2-CG 4.42Å; W315-F427 HydrophobicContact CE3-CB 4.26Å; W315-F427 HydrophobicContact CG-CB 4.28Å; W315-F427 AromaticContact CG-CD1 3.63Å; W315-F427 HydrophobicContact CG-CD1 3.63Å; W315-F427 HydrophobicContact CG-CE1 4.35Å; W315-F427 HydrophobicContact CG-CG 4.21Å; W315-F427 VanDerWaalsContact CH2-O 3.32Å; W315-F427 WeakPolarHBondContact CH2-O 3.44Å; W315-F427 WeakPolarHBondContact CZ2-O 3.39Å; E423-F427 WeakPolarHBondContact O-CD2 3.43Å; E423-F427 WeakPolarHBondContact O-CE2 3.3Å; L424-F427 PolarHBondContact O-N 3.38Å; Y425-F427 VanDerWaalsContact C-N 3.26Å; Y425-F427 PolarHBondContact O-N 2.94Å |
| 428 | F | 86.1 | Confident | 80.8 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -101.3 | -18 | -168 | -62.3 | -62.7 | 0 | 0 | 0 | 115.3 | L311 W315 Y340 I343 L344 V347 L424 S431 L432 | L311-F428 HydrophobicContact CD1-CZ 4.29Å; L311-F428 HydrophobicContact CD2-CE2 3.92Å; L311-F428 HydrophobicContact CD2-CZ 4.11Å; W315-F428 HydrophobicContact CE3-CE1 4.07Å; W315-F428 HydrophobicContact CE3-CZ 4.47Å; W315-F428 HydrophobicContact CZ3-CD1 4.04Å; W315-F428 AromaticContact CZ3-CE1 3.67Å; W315-F428 HydrophobicContact CZ3-CE1 3.67Å; W315-F428 HydrophobicContact CZ3-CZ 4.5Å; Y340-F428 HydrophobicContact CD2-CD1 4.43Å; Y340-F428 HydrophobicContact CD2-CE1 4.32Å; Y340-F428 AromaticContact CE2-CD1 3.66Å; Y340-F428 HydrophobicContact CE2-CD1 3.66Å; Y340-F428 AromaticContact CE2-CE1 3.99Å; Y340-F428 HydrophobicContact CE2-CE1 3.99Å; I343-F428 HydrophobicContact CG2-CE1 3.91Å; I343-F428 HydrophobicContact CG2-CE2 4.39Å; I343-F428 HydrophobicContact CG2-CZ 3.43Å; I343-F428 VanDerWaalsContact CG2-CZ 3.43Å; L344-F428 HydrophobicContact CD2-CB 3.78Å; L344-F428 HydrophobicContact CD2-CD1 3.44Å; L344-F428 VanDerWaalsContact CD2-CD1 3.44Å; L344-F428 HydrophobicContact CD2-CD2 4.33Å; L344-F428 HydrophobicContact CD2-CE1 4.18Å; L344-F428 HydrophobicContact CD2-CG 3.57Å; L344-F428 HydrophobicContact CG-CD1 4.07Å; L344-F428 HydrophobicContact CG-CE1 4.47Å; V347-F428 HydrophobicContact CG1-CD2 4.4Å; V347-F428 HydrophobicContact CG1-CE2 4.34Å; V347-F428 HydrophobicContact CG2-CE2 4Å; V347-F428 HydrophobicContact CG2-CZ 4.48Å; L424-F428 HydrophobicContact CB-CD2 4.39Å; L424-F428 HydrophobicContact CD2-CE2 4.04Å; L424-F428 WeakPolarHBondContact O-CD2 3.12Å; L424-F428 PolarHBondContact O-N 3.21Å; F428-S431 VanDerWaalsContact O-CB 3.32Å; F428-S431 WeakPolarHBondContact O-CB 3.39Å; F428-S431 PolarHBondContact O-N 2.81Å; F428-L432 HydrophobicContact CB-CB 3.84Å |
| 429 | G | 85.8 | Confident | 78.9 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 23% | 0.227 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | -137 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y425 S431 L432 A433 | Y425-G429 VanDerWaalsContact O-CA 3.29Å; Y425-G429 WeakPolarHBondContact O-CA 3.27Å; Y425-G429 PolarHBondContact O-N 2.96Å; G429-S431 PolarHBondContact O-N 3.26Å; G429-L432 WeakPolarHBondContact O-CB 3.49Å; G429-L432 PolarHBondContact O-N 2.87Å; G429-A433 PolarHBondContact O-N 2.72Å |
| 430 | D | 82.8 | Confident | 76.4 | Confident | 109 Ų | 109 | 65.4 Ų | 65.4 | 58% | 0.583 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.6 | -20.4 | -175 | -58.3 | -13.5 | 0 | 0 | 0 | 113.2 | Y425 L432 A433 T434 | Y425-D430 PolarHBondContact OH-OD1 2.99Å; D430-L432 PolarHBondContact O-N 2.95Å; D430-A433 PolarHBondContact O-N 2.9Å; D430-T434 WeakPolarHBondContact O-CB 3.5Å; D430-T434 WeakPolarHBondContact O-CG2 3.3Å; D430-T434 PolarHBondContact O-N 3.48Å; D430-T434 PolarHBondContact O-OG1 3.37Å |
| 431 | S | 84.3 | Confident | 74.1 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -24.5 | 171.2 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | Y340 F428 G429 T434 R435 | Y340-S431 WeakPolarHBondContact OH-CB 3.47Å; Y340-S431 PolarHBondContact OH-OG 2.71Å; Y340-S431 VanDerWaalsContact OH-OG 3.07Å; F428-S431 VanDerWaalsContact O-CB 3.32Å; F428-S431 WeakPolarHBondContact O-CB 3.39Å; F428-S431 PolarHBondContact O-N 2.81Å; G429-S431 PolarHBondContact O-N 3.26Å; S431-T434 PolarHBondContact O-OG1 2.83Å; S431-R435 WeakPolarHBondContact O-CG 3.34Å |
| 432 | L | 84.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -83.9 | -47.3 | 170.1 | -170.6 | 64.5 | 0 | 0 | 0 | 110.5 | V347 L351 Y421 L424 F428 G429 D430 T434 R435 F436 | V347-L432 HydrophobicContact CG1-CD1 3.79Å; L351-L432 HydrophobicContact CD1-CD1 4.12Å; L351-L432 HydrophobicContact CD1-CD2 4.19Å; Y421-L432 HydrophobicContact CD2-CD2 4.39Å; Y421-L432 HydrophobicContact CE2-CD2 4.1Å; Y421-L432 HydrophobicContact CE2-CG 4.38Å; L424-L432 HydrophobicContact CB-CD2 3.98Å; F428-L432 HydrophobicContact CB-CB 3.84Å; G429-L432 WeakPolarHBondContact O-CB 3.49Å; G429-L432 PolarHBondContact O-N 2.87Å; D430-L432 PolarHBondContact O-N 2.95Å; L432-T434 VanDerWaalsContact C-N 3.32Å; L432-T434 PolarHBondContact O-N 2.64Å; L432-R435 WeakPolarHBondContact O-CB 3.47Å; L432-R435 PolarHBondContact O-N 2.73Å; L432-F436 HydrophobicContact CD1-CE2 3.9Å; L432-F436 HydrophobicContact CG-CD2 4.48Å; L432-F436 HydrophobicContact CG-CE2 4.27Å; L432-F436 WeakPolarHBondContact O-CD2 3.43Å |
| 433 | A | 78.8 | Confident | 68.9 | Low | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.033 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -53.7 | -44.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y425 G429 D430 R435 F436 G437 T438 | Y425-A433 HydrophobicContact CE2-CB 4.06Å; G429-A433 PolarHBondContact O-N 2.72Å; D430-A433 PolarHBondContact O-N 2.9Å; A433-R435 PolarHBondContact O-N 3Å; A433-F436 CarbonylContact O-C 3.58Å; A433-F436 PolarHBondContact O-N 3.35Å; A433-G437 PolarHBondContact O-N 2.86Å; A433-G437 VanDerWaalsContact O-N 3.12Å; A433-T438 WeakPolarHBondContact CA-OG1 3.43Å; A433-T438 WeakPolarHBondContact CB-OG1 3.42Å; A433-T438 PolarHBondContact O-N 2.84Å; A433-T438 PolarHBondContact O-OG1 2.98Å; A433-T438 VanDerWaalsContact O-OG1 3.09Å |
| 434 | T | 79.4 | Confident | 66.3 | Low | 75 Ų | 75 | 71.3 Ų | 71.3 | 46% | 0.46 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -60.2 | -29.6 | 178.7 | 47.4 | 0 | 0 | 0 | 0 | 113.4 | D430 S431 L432 F436 G437 | D430-T434 WeakPolarHBondContact O-CB 3.5Å; D430-T434 WeakPolarHBondContact O-CG2 3.3Å; D430-T434 PolarHBondContact O-N 3.48Å; D430-T434 PolarHBondContact O-OG1 3.37Å; S431-T434 PolarHBondContact O-OG1 2.83Å; L432-T434 VanDerWaalsContact C-N 3.32Å; L432-T434 PolarHBondContact O-N 2.64Å; T434-F436 VanDerWaalsContact C-N 3.3Å; T434-F436 PolarHBondContact O-N 2.99Å; T434-G437 PolarHBondContact O-N 3.45Å |
| 435 | R | 76.4 | Confident | 63.7 | Low | 135 Ų | 135 | 75.4 Ų | 75.4 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -74.8 | -16.8 | 175.5 | -58.6 | -63 | -178.2 | -151.4 | -2.1 | 114.2 | E348 S431 L432 A433 | E348-R435 HydrophobicContact CG-CB 4.04Å; E348-R435 WeakPolarHBondContact OE2-CB 3.4Å; E348-R435 WeakPolarHBondContact OE2-CD 3.33Å; E348-R435 WeakPolarHBondContact OE2-CG 3.25Å; S431-R435 WeakPolarHBondContact O-CG 3.34Å; L432-R435 WeakPolarHBondContact O-CB 3.47Å; L432-R435 PolarHBondContact O-N 2.73Å; A433-R435 PolarHBondContact O-N 3Å |
| 436 | F | 70.8 | Confident | 61.1 | Low | 70 Ų | 70 | 77.3 Ų | 77.3 | 31% | 0.307 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -108 | 4.5 | 175.9 | -67.3 | -82.8 | 0 | 0 | 0 | 113.1 | E348 L351 K352 Y421 L432 A433 T434 T438 | E348-F436 HydrophobicContact CB-CZ 4.5Å; E348-F436 HydrophobicContact CG-CE2 4.12Å; E348-F436 HydrophobicContact CG-CZ 3.91Å; L351-F436 HydrophobicContact CB-CE1 4.38Å; L351-F436 HydrophobicContact CB-CZ 3.75Å; L351-F436 HydrophobicContact CD1-CE2 4Å; L351-F436 HydrophobicContact CD1-CZ 4.01Å; K352-F436 HydrophobicContact CD-CE1 4.3Å; K352-F436 HydrophobicContact CG-CE1 3.61Å; K352-F436 HydrophobicContact CG-CZ 4.12Å; Y421-F436 HydrophobicContact CE2-CD2 4.44Å; L432-F436 HydrophobicContact CD1-CE2 3.9Å; L432-F436 HydrophobicContact CG-CD2 4.48Å; L432-F436 HydrophobicContact CG-CE2 4.27Å; L432-F436 WeakPolarHBondContact O-CD2 3.43Å; A433-F436 CarbonylContact O-C 3.58Å; A433-F436 PolarHBondContact O-N 3.35Å; T434-F436 VanDerWaalsContact C-N 3.3Å; T434-F436 PolarHBondContact O-N 2.99Å; F436-T438 VanDerWaalsContact C-N 3.29Å; F436-T438 PolarHBondContact O-N 2.84Å |
| 437 | G | 57 | Low | 58.7 | Low | 55 Ų | 55 | 84.2 Ų | 84.2 | 57% | 0.567 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 3.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A433 T434 G439 | A433-G437 PolarHBondContact O-N 2.86Å; A433-G437 VanDerWaalsContact O-N 3.12Å; T434-G437 PolarHBondContact O-N 3.45Å; G437-G439 VanDerWaalsContact C-N 3.3Å |
| 438 | T | 50.2 | Low | 56.3 | Low | 97 Ų | 97 | 87.5 Ų | 87.5 | 60% | 0.595 | 52% | 0.523 | S | S | * | . | trans | -80.9 | -10.3 | 177.4 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | A433 F436 Q440 | A433-T438 WeakPolarHBondContact CA-OG1 3.43Å; A433-T438 WeakPolarHBondContact CB-OG1 3.42Å; A433-T438 PolarHBondContact O-N 2.84Å; A433-T438 PolarHBondContact O-OG1 2.98Å; A433-T438 VanDerWaalsContact O-OG1 3.09Å; F436-T438 VanDerWaalsContact C-N 3.29Å; F436-T438 PolarHBondContact O-N 2.84Å; T438-Q440 PolarHBondContact O-N 3.05Å | ||
| 439 | G | 42.8 | Very low | 53.9 | Low | 32 Ų | 32 | 93.7 Ų | 93.7 | 33% | 0.33 | 56% | 0.564 | S | S | . | * | trans | -91.9 | 33.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | G437 | G437-G439 VanDerWaalsContact C-N 3.3Š| ||
| 440 | Q | 32.8 | Very low | 51.2 | Low | 160 Ų | 160 | 95.9 Ų | 95.9 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 124.3 | 162.5 | -81.2 | -78.7 | -47.9 | 0 | 0 | 108.2 | T438 A442 | T438-Q440 PolarHBondContact O-N 3.05Å; Q440-A442 PolarHBondContact O-N 2.93Å |
| 441 | P | 36.6 | Very low | 48.6 | Very low | 109 Ų | 109 | 98.8 Ų | 98.8 | 71% | 0.708 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 129.6 | 168 | 27.2 | -32.4 | 0 | 0 | 0 | 107.8 | ||
| 442 | A | 29.3 | Very low | 46.1 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 72% | 0.719 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -54 | 132.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q440 T444 | Q440-A442 PolarHBondContact O-N 2.93Å; A442-T444 PolarHBondContact O-N 3.1Å; A442-T444 VanDerWaalsContact O-N 3.13Å |
| 443 | P | 33.7 | Very low | 43.3 | Very low | 125 Ų | 125 | 116 Ų | 116 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 124.8 | 172.3 | 25.4 | -32.8 | 0 | 0 | 0 | 107.7 | A445 | P443-A445 PolarHBondContact O-N 3.17Å; P443-A445 VanDerWaalsContact O-N 3.09Å |
| 444 | T | 33.8 | Very low | 40.8 | Very low | 139 Ų | 139 | 124 Ų | 124 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 117.2 | -175.4 | 28.9 | 0 | 0 | 0 | 0 | 110.2 | A442 | A442-T444 PolarHBondContact O-N 3.1Å; A442-T444 VanDerWaalsContact O-N 3.13Å |
| 445 | A | 31.4 | Very low | 38.8 | Very low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 136.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110 | P443 R447 | P443-A445 PolarHBondContact O-N 3.17Å; P443-A445 VanDerWaalsContact O-N 3.09Å; A445-R447 PolarHBondContact O-N 3.44Å |
| 446 | P | 34 | Very low | 36.3 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.6 | -176.1 | 26.8 | -33.8 | 0 | 0 | 0 | 110.3 | ||
| 447 | R | 35.6 | Very low | 34.2 | Very low | 236 Ų | 236 | 124.9 Ų | 124.9 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 145.2 | 168.8 | -73.2 | -176.5 | 175 | -178.2 | -1.5 | 110 | A445 | A445-R447 PolarHBondContact O-N 3.44Š|
| 448 | P | 35.3 | Very low | 32.7 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 159.2 | 175.1 | 31 | -35.4 | 0 | 0 | 0 | 111.7 | ||
| 449 | P | 35.9 | Very low | 32.1 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 151 | -176.3 | 34.8 | -35 | 0 | 0 | 0 | 113.4 | ||
| 450 | G | 28.6 | Very low | 31.3 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 104.9 | 132 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 451 | D | 28.5 | Very low | 31.2 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | cis | -141.1 | 164.5 | 13.4 | -110.4 | -47.6 | 0 | 0 | 0 | 114.3 | ||||
| 452 | K | 31.5 | Very low | 30.8 | Very low | 202 Ų | 202 | 131.3 Ų | 131.3 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -72.2 | 126.2 | -176.3 | -65.1 | 170.2 | 177.3 | 173.9 | 0 | 112.7 | ||||
| 453 | K | 27.1 | Very low | 31.1 | Very low | 206 Ų | 206 | 139.2 Ų | 139.2 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | -157.7 | 107.3 | 145.7 | -146.4 | 165.1 | -176 | 177.4 | 0 | 113.4 | ||||
| 454 | E | 26.1 | Very low | 30.9 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -72.9 | 156.6 | 154.4 | -123.7 | -166.3 | 120.8 | 0 | 0 | 108.8 | ||||
| 455 | P | 37.3 | Very low | 30.6 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | -151.6 | 162.6 | 66.7 | 41 | -21.4 | 0 | 0 | 0 | 118.7 | |||||
| 456 | A | 24.8 | Very low | 30.7 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | trans | 67.9 | 121.5 | 134.7 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 457 | A | 25.4 | Very low | 30.5 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | 78.3 | 140.4 | 129.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 458 | A | 25.3 | Very low | 30.1 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -92.1 | -169.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 459 | P | 38.4 | Very low | 29.8 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | cis | -144.1 | 169.3 | 29.5 | 42 | -20.9 | 0 | 0 | 0 | 119.5 | ||||
| 460 | D | 25.4 | Very low | 29.5 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 36.2 | 124.8 | 144.2 | -61.9 | -35.2 | 0 | 0 | 0 | 123.4 | ||||
| 461 | S | 31.3 | Very low | 29.4 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -145.8 | 96.8 | 133.5 | 75.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 462 | V | 29 | Very low | 29.3 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | trans | -31.8 | 135.6 | 163 | 174 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 463 | R | 35.1 | Very low | 29.1 | Very low | 253 Ų | 253 | 136.6 Ų | 136.6 | 96% | 0.955 | 80% | 0.795 | S | S | * | * | -156.1 | 137.6 | 129.7 | -107.1 | 159.5 | -158 | -160.1 | 4.8 | 113.3 | |||||
| 464 | K | 29.1 | Very low | 29.1 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -80.5 | 150.4 | -159.2 | -65.5 | 170.2 | 173.3 | 176.2 | 0 | 114.2 | ||||
| 465 | M | 28.1 | Very low | 29.2 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 172.7 | 156.2 | -147.7 | 126.8 | 82.7 | 0 | 0 | 110.7 | Q467 | M465-Q467 HydrophobicContact CE-CG 3.87Š| ||
| 466 | P | 32.8 | Very low | 29.2 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -131.9 | 137.7 | 114 | 34.9 | -26.9 | 0 | 0 | 0 | 113.9 | |||||
| 467 | Q | 29.5 | Very low | 29.4 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 67% | 0.673 | 80% | 0.802 | S | S | * | * | trans | -71.4 | 147.9 | 162.1 | -73.6 | -86 | -4.7 | 0 | 0 | 109.5 | M465 | M465-Q467 HydrophobicContact CE-CG 3.87Š| ||
| 468 | L | 28.4 | Very low | 29.4 | Very low | 174 Ų | 174 | 134 Ų | 134 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -113.3 | 119.2 | 163.1 | -81.7 | 168.7 | 0 | 0 | 0 | 108.7 | ||||
| 469 | T | 28.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -116.6 | 152 | 176.3 | -33.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 470 | A | 29.8 | Very low | 28.6 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -67.8 | 163.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 471 | S | 25.8 | Very low | 28.7 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -138.1 | 122.6 | 157.3 | -72.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 472 | A | 26.9 | Very low | 29.2 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -98.4 | 148.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 473 | V | 26.7 | Very low | 29 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -133.9 | 141.3 | 171.7 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 474 | V | 26.7 | Very low | 28.5 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -131.2 | 157.4 | -174.4 | 160.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 475 | S | 28.1 | Very low | 28.3 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 78.5 | 157.2 | 166.6 | -82 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 476 | P | 38.6 | Very low | 28.2 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | cis | -126.6 | 178.6 | 20.6 | 41.1 | -25.1 | 0 | 0 | 0 | 118 | ||||
| 477 | Q | 27.8 | Very low | 27.9 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -100.2 | 150.1 | 178 | -177.1 | 179.2 | 6.6 | 0 | 0 | 110 | ||||
| 478 | G | 25 | Very low | 27.8 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -170.8 | 148.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 479 | D | 25.1 | Very low | 27.7 | Very low | 160 Ų | 160 | 122 Ų | 122 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -92.4 | -180 | -161.3 | -78.7 | -63.8 | 0 | 0 | 0 | 116.8 | ||||
| 480 | E | 23.6 | Very low | 27.5 | Very low | 191 Ų | 191 | 120.2 Ų | 120.2 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | 97.1 | 132.8 | 156.6 | -62.8 | -167.1 | 101.1 | 0 | 0 | 121.1 | ||||
| 481 | S | 27 | Very low | 27.4 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -98.6 | -175.3 | 166 | -59 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 482 | P | 41.3 | Very low | 27.4 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -148 | -166.1 | 15.4 | 39.2 | -14.7 | 0 | 0 | 0 | 117.5 | ||||
| 483 | C | 24 | Very low | 27.4 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | 99.6 | 134.7 | 150.4 | -73.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 484 | G | 25.3 | Very low | 27.3 | Very low | 82 Ų | 82 | 119 Ų | 119 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | 101.4 | 100.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 485 | G | 24 | Very low | 27.2 | Very low | 76 Ų | 76 | 121.6 Ų | 121.6 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | 91 | 116.1 | 53.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 486 | T | 26 | Very low | 27 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | cis | -162.4 | 150 | 43.1 | 41.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 487 | L | 26.6 | Very low | 26.6 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | 45.9 | 138.9 | 139.3 | -64.1 | 158.1 | 0 | 0 | 0 | 120.7 | ||||
| 488 | A | 27.7 | Very low | 26.8 | Very low | 79 Ų | 79 | 124.5 Ų | 124.5 | 65% | 0.653 | 80% | 0.801 | S | S | * | * | cis | -155 | 151.7 | 23.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 489 | T | 26.2 | Very low | 27.1 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | 30.9 | 114.6 | 146.7 | 56.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 490 | A | 25.9 | Very low | 27.5 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | 70.2 | 137.9 | 69.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 491 | T | 27.1 | Very low | 27.5 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | cis | -152.6 | 155.5 | 37.8 | 42.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 492 | A | 26.5 | Very low | 27.6 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | 40.9 | 130 | 148.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 493 | A | 26 | Very low | 26.9 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | 66.7 | 140.3 | 52.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 494 | S | 25.1 | Very low | 27 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | cis | -161.8 | 159.6 | 4.7 | 44.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 495 | E | 24.3 | Very low | 27 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | 24.4 | 129.8 | 147.9 | -56.2 | -174.9 | 134.3 | 0 | 0 | 122.4 | ||||
| 496 | S | 24.5 | Very low | 27.2 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | 163.3 | 151.3 | 106.6 | 53.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 497 | R | 29.5 | Very low | 27.1 | Very low | 239 Ų | 239 | 146.4 Ų | 146.4 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -79.7 | 157.2 | 171.7 | -102.1 | 174.7 | 171.2 | 174.3 | -2.2 | 110.2 | ||||
| 498 | P | 32.3 | Very low | 27.2 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | -155 | -171.2 | 64.1 | 40.1 | -17 | 0 | 0 | 0 | 118 | |||||
| 499 | L | 31.3 | Very low | 27.5 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | -72 | 163.2 | 176.7 | -60.4 | 162.6 | 0 | 0 | 0 | 112.9 | ||||
| 500 | P | 32.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | -154.3 | 158.3 | 97.8 | 38.6 | -19.8 | 0 | 0 | 0 | 119.7 | |||||
| 501 | R | 25 | Very low | 27.7 | Very low | 233 Ų | 233 | 154.5 Ų | 154.5 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | trans | 21.7 | 124.9 | 146.4 | -76.3 | 178 | 161.9 | 149.9 | -5.1 | 124.3 | ||||
| 502 | V | 27.6 | Very low | 27.7 | Very low | 119 Ų | 119 | 156.5 Ų | 156.5 | 72% | 0.721 | 84% | 0.838 | S | S | * | * | 46.4 | 121.9 | 118.2 | -177 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 503 | H | 26.9 | Very low | 27.8 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | -154.5 | 159.6 | 127.7 | -107.3 | -74.8 | 0 | 0 | 0 | 112.7 | |||||
| 504 | R | 25.7 | Very low | 28.2 | Very low | 241 Ų | 241 | 157.9 Ų | 157.9 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | trans | -118.2 | 132.6 | -168 | -177 | -171.8 | -164.6 | 172.6 | 5.8 | 109.9 | ||||
| 505 | A | 26.8 | Very low | 28.1 | Very low | 106 Ų | 106 | 157 Ų | 157 | 88% | 0.876 | 85% | 0.852 | S | S | * | * | trans | -132.2 | 161.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 506 | R | 26.3 | Very low | 28.4 | Very low | 256 Ų | 256 | 153.5 Ų | 153.5 | 97% | 0.966 | 85% | 0.854 | S | S | * | * | trans | -131.7 | 125.8 | -156.5 | -175.5 | -170.7 | -165.3 | -179 | 4.4 | 109.5 | ||||
| 507 | G | 25.6 | Very low | 28.5 | Very low | 82 Ų | 82 | 151 Ų | 151 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | trans | -177.7 | 118.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 508 | A | 28.8 | Very low | 28.4 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 85% | 0.849 | S | S | * | * | trans | -115.1 | 155 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 509 | P | 34.1 | Very low | 28.2 | Very low | 134 Ų | 134 | 151.1 Ų | 151.1 | 87% | 0.87 | 85% | 0.85 | S | S | * | * | -136.6 | 173.8 | 103.4 | 34.5 | -21.5 | 0 | 0 | 0 | 114.9 | |||||
| 510 | R | 26.4 | Very low | 28 | Very low | 238 Ų | 238 | 149 Ų | 149 | 90% | 0.898 | 84% | 0.839 | S | S | * | * | trans | -69.8 | 149 | -177 | -68.7 | 162.3 | 151.3 | 163.6 | -9.9 | 113 | ||||
| 511 | Q | 28.5 | Very low | 27.7 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 76% | 0.762 | 84% | 0.841 | S | S | * | * | -169.6 | 128.4 | 102.8 | -96.9 | -173.7 | 32.6 | 0 | 0 | 113.3 | |||||
| 512 | Q | 28.3 | Very low | 27.8 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | 62.3 | 137.8 | 140.6 | -54.7 | -175.8 | 20.4 | 0 | 0 | 120.7 | ||||
| 513 | G | 26.8 | Very low | 27.8 | Very low | 77 Ų | 77 | 150.9 Ų | 150.9 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | -106.9 | -140.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 514 | P | 34.4 | Very low | 27.9 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 90% | 0.903 | 84% | 0.842 | S | S | * | * | cis | -124.7 | 160.8 | 4.4 | 40.4 | -26.1 | 0 | 0 | 0 | 115.1 | ||||
| 515 | G | 24.8 | Very low | 27.9 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | -175.6 | 92.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 516 | A | 29.8 | Very low | 28.3 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 88% | 0.884 | 84% | 0.836 | S | S | * | * | trans | -112.2 | 139.3 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 517 | G | 27.4 | Very low | 28.4 | Very low | 74 Ų | 74 | 148.1 Ų | 148.1 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | cis | 127.2 | 61.3 | 11 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 518 | T | 25.8 | Very low | 29 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 91% | 0.908 | 83% | 0.83 | S | S | * | * | trans | -88.5 | 118.1 | -177.4 | -23.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 519 | R | 28.6 | Very low | 29.2 | Very low | 219 Ų | 219 | 150.2 Ų | 150.2 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -137.3 | 135.3 | 166.5 | -107.5 | -170 | 130.9 | 140.8 | 6.2 | 111.4 | ||||
| 520 | D | 28.2 | Very low | 29.1 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 63% | 0.631 | 83% | 0.83 | S | S | * | * | trans | 44.7 | 124.8 | 143 | -50.4 | -32.7 | 0 | 0 | 0 | 119.6 | ||||
| 521 | V | 26.3 | Very low | 29.5 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | 178 | 131.6 | 100.3 | 154.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 522 | F | 27.1 | Very low | 29.5 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 82% | 0.82 | 82% | 0.815 | S | S | * | * | trans | -71.9 | 148 | 167.8 | -94.4 | -98.1 | 0 | 0 | 0 | 111.6 | ||||
| 523 | Q | 27.3 | Very low | 29.6 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -138.7 | 125.1 | 144.3 | -150.5 | 169.8 | 14.7 | 0 | 0 | 111.2 | ||||
| 524 | K | 28.4 | Very low | 29.7 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | trans | -76.1 | 141.2 | -177 | -63.3 | 171.6 | 178.6 | 174.8 | 0 | 110.3 | ||||
| 525 | S | 26.5 | Very low | 29.5 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -126.2 | 120.2 | 159.6 | 51.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 526 | R | 35.5 | Very low | 29.7 | Very low | 244 Ų | 244 | 151.2 Ų | 151.2 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -79.9 | 124.4 | 175 | -62.9 | -179.3 | -177.3 | -175 | 0.7 | 108.7 | ||||
| 527 | F | 28 | Very low | 29.8 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -145.3 | 124.8 | 162 | -94.7 | -79.4 | 0 | 0 | 0 | 110.1 | ||||
| 528 | A | 36.9 | Very low | 29.9 | Very low | 96 Ų | 96 | 158.3 Ų | 158.3 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -115.2 | 124.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 529 | P | 34.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 158.4 Ų | 158.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -90.4 | 123.5 | 173 | 32.1 | -28.4 | 0 | 0 | 0 | 111 | ||||
| 530 | R | 31.8 | Very low | 30.6 | Very low | 227 Ų | 227 | 152.4 Ų | 152.4 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -80 | 127.1 | 154.4 | -71.5 | -178.4 | 171.8 | -164.9 | -1.5 | 107.5 | ||||
| 531 | G | 34 | Very low | 30.9 | Very low | 73 Ų | 73 | 150 Ų | 150 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 134.3 | 168.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 532 | A | 29.7 | Very low | 31.3 | Very low | 72 Ų | 72 | 155.5 Ų | 155.5 | 60% | 0.595 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -59.8 | 150.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H534 | A532-H534 PolarHBondContact O-N 3.07Å; A532-H534 PolarHBondContact O-ND1 3.46Å |
| 533 | P | 29.6 | Very low | 31.8 | Very low | 111 Ų | 111 | 155 Ų | 155 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -66.5 | 101.7 | -167 | 26.4 | -35.5 | 0 | 0 | 0 | 113.1 | F535 | P533-F535 HydrophobicContact CB-CE2 4.38Š| ||
| 534 | H | 28.4 | Very low | 32.3 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -92.7 | 101.6 | 169.2 | -74.7 | 67.1 | 0 | 0 | 0 | 109.6 | A532 R536 | A532-H534 PolarHBondContact O-N 3.07Å; A532-H534 PolarHBondContact O-ND1 3.46Å; H534-R536 PolarHBondContact O-N 2.9Å | ||
| 535 | F | 31.5 | Very low | 33.1 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | trans | -67.8 | 114.9 | 173.6 | -67.7 | -78.5 | 0 | 0 | 0 | 110.5 | P533 F537 | P533-F535 HydrophobicContact CB-CE2 4.38Å; F535-F537 HydrophobicContact CB-CE2 3.98Å; F535-F537 HydrophobicContact CB-CZ 4.27Å | ||
| 536 | R | 28.4 | Very low | 33.5 | Very low | 207 Ų | 207 | 151.1 Ų | 151.1 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -118.5 | 94.3 | -174.9 | -143.3 | 176.5 | -168.2 | 156.1 | 4.6 | 109.8 | H534 I538 | H534-R536 PolarHBondContact O-N 2.9Å; R536-I538 PolarHBondContact O-N 3.45Å | ||
| 537 | F | 31 | Very low | 33.4 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | -79.7 | 117.9 | -179.5 | -61 | -79.8 | 0 | 0 | 0 | 111.3 | F535 I539 | F535-F537 HydrophobicContact CB-CE2 3.98Å; F535-F537 HydrophobicContact CB-CZ 4.27Å; F537-I539 PolarHBondContact O-N 3.25Å | ||
| 538 | I | 31.1 | Very low | 33.9 | Very low | 158 Ų | 158 | 148 Ų | 148 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -88 | 95.7 | 168 | -57.9 | 177.1 | 0 | 0 | 0 | 108 | R536 A540 | R536-I538 PolarHBondContact O-N 3.45Å; I538-A540 PolarHBondContact O-N 3.18Å; I538-A540 VanDerWaalsContact O-N 3.14Å | ||
| 539 | I | 36.4 | Very low | 33.9 | Very low | 150 Ų | 150 | 155.4 Ų | 155.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -80.9 | 92.3 | 170 | -56.5 | 178.9 | 0 | 0 | 0 | 108.1 | F537 G541 | F537-I539 PolarHBondContact O-N 3.25Å; I539-G541 VanDerWaalsContact C-N 3.32Å; I539-G541 PolarHBondContact O-N 3.37Å | ||
| 540 | A | 31.5 | Very low | 33.9 | Very low | 93 Ų | 93 | 153 Ų | 153 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -74.8 | 81.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | I538 R542 | I538-A540 PolarHBondContact O-N 3.18Å; I538-A540 VanDerWaalsContact O-N 3.14Å; A540-R542 PolarHBondContact O-N 3.13Å | ||
| 541 | G | 35 | Very low | 34.1 | Very low | 66 Ų | 66 | 152.4 Ų | 152.4 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -69.8 | 120.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I539 Q543 | I539-G541 VanDerWaalsContact C-N 3.32Å; I539-G541 PolarHBondContact O-N 3.37Å; G541-Q543 PolarHBondContact O-N 3.22Å; G541-Q543 VanDerWaalsContact O-N 3.14Å | ||
| 542 | R | 34.7 | Very low | 34.1 | Very low | 254 Ų | 254 | 155.5 Ų | 155.5 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | -83.4 | 82.6 | 177.7 | -159.6 | -173.3 | -153.6 | -156.4 | 9.1 | 110.6 | A540 | A540-R542 PolarHBondContact O-N 3.13Š| ||
| 543 | Q | 36.9 | Very low | 34.2 | Very low | 175 Ų | 175 | 161.1 Ų | 161.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -91.1 | 111.7 | 175.5 | -153 | 175.6 | 16.1 | 0 | 0 | 111.1 | G541 G545 | G541-Q543 PolarHBondContact O-N 3.22Å; G541-Q543 VanDerWaalsContact O-N 3.14Å; Q543-G545 PolarHBondContact O-N 3.02Å; Q543-G545 VanDerWaalsContact O-N 3.11Å | ||
| 544 | A | 38.9 | Very low | 34.2 | Very low | 96 Ų | 96 | 164.2 Ų | 164.2 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 27.6 | 66.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | R546 | A544-R546 PolarHBondContact O-N 3.03Å; A544-R546 VanDerWaalsContact O-N 3.17Å |
| 545 | G | 44 | Very low | 34.3 | Very low | 84 Ų | 84 | 162.3 Ų | 162.3 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.5 | 7.6 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | Q543 | Q543-G545 PolarHBondContact O-N 3.02Å; Q543-G545 VanDerWaalsContact O-N 3.11Å |
| 546 | R | 36.3 | Very low | 34.1 | Very low | 227 Ų | 227 | 157.7 Ų | 157.7 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -127.8 | 138.1 | 171.4 | -68.5 | -169.3 | -176.1 | -123.3 | 2.2 | 113 | A544 | A544-R546 PolarHBondContact O-N 3.03Å; A544-R546 VanDerWaalsContact O-N 3.17Å | ||
| 547 | R | 32.5 | Very low | 34.3 | Very low | 261 Ų | 261 | 157 Ų | 157 | 99% | 0.985 | 81% | 0.811 | S | S | * | * | trans | -78.3 | 117.3 | 174.5 | -68.5 | -176.7 | 178.9 | -172 | -0.1 | 109.8 | ||||
| 548 | C | 38.1 | Very low | 34.4 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -114.6 | 141.7 | 168.6 | -68.6 | 0 | 0 | 0 | 0 | 109.9 | G550 | C548-G550 PolarHBondContact O-N 2.95Š| ||
| 549 | R | 37.8 | Very low | 34.4 | Very low | 252 Ų | 252 | 150.8 Ų | 150.8 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 123.1 | 170.8 | -74.4 | -176.6 | 174.1 | -177.3 | -1.8 | 108.7 | ||
| 550 | G | 34.9 | Very low | 34.2 | Very low | 75 Ų | 75 | 149.7 Ų | 149.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 138.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | C548 | C548-G550 PolarHBondContact O-N 2.95Š|
| 551 | R | 36 | Very low | 34.2 | Very low | 214 Ų | 214 | 156 Ų | 156 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 138.8 | 170.1 | -65.6 | -173.7 | -178.8 | -162.5 | 0.6 | 109.5 | F553 | R551-F553 PolarHBondContact O-N 3.05Š|
| 552 | L | 33 | Very low | 34.2 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 73% | 0.728 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 129.7 | 166.5 | -89.4 | 75 | 0 | 0 | 0 | 109 | ||
| 553 | F | 31.5 | Very low | 34.4 | Very low | 189 Ų | 189 | 150 Ų | 150 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -100 | 123.9 | 158.9 | -78.8 | -88.4 | 0 | 0 | 0 | 108.3 | R551 | R551-F553 PolarHBondContact O-N 3.05Š|
| 554 | Q | 29.6 | Very low | 34.2 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -91 | 113.5 | 175.5 | -175.6 | 172.4 | -1.8 | 0 | 0 | 108.1 | ||||
| 555 | T | 30.6 | Very low | 34 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -102.1 | 72.1 | 178.6 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 556 | A | 28.1 | Very low | 33.9 | Very low | 74 Ų | 74 | 149.5 Ų | 149.5 | 61% | 0.612 | 81% | 0.808 | S | S | * | * | trans | -134.3 | 107.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 557 | F | 32.4 | Very low | 33.7 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -106.9 | 119.7 | 169.8 | -65.3 | -78.1 | 0 | 0 | 0 | 107 | ||||
| 558 | P | 32.7 | Very low | 34 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -66 | 140.6 | 169 | 28.8 | -32.4 | 0 | 0 | 0 | 109.1 | ||||
| 559 | A | 30.8 | Very low | 33.5 | Very low | 79 Ų | 79 | 146.1 Ų | 146.1 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 128.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y561 | A559-Y561 PolarHBondContact O-N 3.3Š| ||
| 560 | P | 32.4 | Very low | 33.4 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -76.2 | 113.1 | 175.3 | 29.7 | -31.8 | 0 | 0 | 0 | 110.2 | ||||
| 561 | Y | 31.4 | Very low | 33.3 | Very low | 225 Ų | 225 | 144.6 Ų | 144.6 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -87 | 126 | 162.9 | -81.8 | -89.2 | 0 | 0 | 0 | 109.6 | A559 | A559-Y561 PolarHBondContact O-N 3.3Š| ||
| 562 | G | 34.5 | Very low | 33.1 | Very low | 68 Ų | 68 | 143.7 Ų | 143.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 83 | 165.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 563 | P | 39.4 | Very low | 33 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -96.7 | 141 | -169.4 | 35.7 | -33 | 0 | 0 | 0 | 114.6 | ||||
| 564 | S | 32.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | 70.3 | 157.2 | 163 | -144.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 565 | P | 36 | Very low | 33.1 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -118.7 | 177.5 | -0 | 40.3 | -26.4 | 0 | 0 | 0 | 114.9 | S567 | P565-S567 PolarHBondContact O-N 3.1Š| ||
| 566 | A | 42.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -62.5 | 124.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 567 | S | 32.1 | Very low | 33.4 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -149.6 | 110.9 | 162.2 | -164.5 | 0 | 0 | 0 | 0 | 114.1 | P565 Y569 | P565-S567 PolarHBondContact O-N 3.1Å; S567-Y569 PolarHBondContact O-N 3.43Å | ||
| 568 | R | 37.8 | Very low | 33.5 | Very low | 229 Ų | 229 | 142.3 Ų | 142.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 26 | 92.6 | 136.7 | -57.9 | 177.2 | 179.7 | 178.2 | 0.5 | 117.4 | ||||
| 569 | Y | 27.7 | Very low | 33.7 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -128.6 | 84.2 | 147.6 | -104.8 | -84 | 0 | 0 | 0 | 111.8 | S567 Q571 | S567-Y569 PolarHBondContact O-N 3.43Å; Y569-Q571 HydrophobicContact CD1-CG 4.29Å; Y569-Q571 PolarHBondContact O-N 3.27Å; Y569-Q571 VanDerWaalsContact O-N 3.15Å | ||
| 570 | V | 35.7 | Very low | 33.9 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 96 | 163.9 | 176.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 571 | Q | 32.8 | Very low | 34 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | trans | -101 | 111.3 | 162 | -80.7 | -166.7 | -6.1 | 0 | 0 | 110.3 | Y569 L573 | Y569-Q571 HydrophobicContact CD1-CG 4.29Å; Y569-Q571 PolarHBondContact O-N 3.27Å; Y569-Q571 VanDerWaalsContact O-N 3.15Å; Q571-L573 PolarHBondContact O-N 3.35Å | ||
| 572 | K | 31.9 | Very low | 34.1 | Very low | 195 Ų | 195 | 144.4 Ų | 144.4 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -59.9 | 114 | 179.6 | -63.9 | 170.9 | 177.9 | 175.2 | 0 | 110.4 | ||||
| 573 | L | 31.5 | Very low | 34.3 | Very low | 131 Ų | 131 | 146 Ų | 146 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 141.2 | 157.5 | -80.3 | 163 | 0 | 0 | 0 | 108.9 | W80 Q571 M575 | W80-L573 HydrophobicContact CH2-CD1 4.02Å; Q571-L573 PolarHBondContact O-N 3.35Å; L573-M575 PolarHBondContact O-N 3.18Å |
| 574 | P | 32.3 | Very low | 34 | Very low | 99 Ų | 99 | 151.1 Ų | 151.1 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 122.5 | -174.3 | 26.9 | -33.6 | 0 | 0 | 0 | 111 | I576 | P574-I576 PolarHBondContact O-N 3.45Š|
| 575 | M | 30.7 | Very low | 34 | Very low | 168 Ų | 168 | 157.4 Ų | 157.4 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 118.9 | 175.1 | -68.6 | 167.2 | 57.2 | 0 | 0 | 110.8 | L573 G577 | L573-M575 PolarHBondContact O-N 3.18Å; M575-G577 PolarHBondContact O-N 3.2Å |
| 576 | I | 35.3 | Very low | 33.6 | Very low | 176 Ų | 176 | 163.5 Ų | 163.5 | 90% | 0.903 | 82% | 0.821 | S | S | * | * | trans | -88.9 | 96.6 | 162.5 | -65.7 | 178.2 | 0 | 0 | 0 | 107.8 | P574 | P574-I576 PolarHBondContact O-N 3.45Š| ||
| 577 | G | 29.4 | Very low | 33 | Very low | 64 Ų | 64 | 163.1 Ų | 163.1 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | 54.8 | 85.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | M575 | M575-G577 PolarHBondContact O-N 3.2Š| ||
| 578 | R | 34.6 | Very low | 32.8 | Very low | 236 Ų | 236 | 165.3 Ų | 165.3 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -137.6 | 115.7 | 130.9 | -77.8 | -163.2 | 169.7 | 151.4 | -2.4 | 110.1 | G580 | R578-G580 PolarHBondContact O-N 2.81Š| ||
| 579 | T | 36 | Very low | 32.5 | Very low | 158 Ų | 158 | 159.6 Ų | 159.6 | 97% | 0.969 | 82% | 0.816 | S | S | * | * | trans | -82.1 | 104.5 | 172.2 | 43.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 580 | G | 34.7 | Very low | 32.5 | Very low | 66 Ų | 66 | 156.1 Ų | 156.1 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | trans | -145.7 | 109.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | R578 P582 | R578-G580 PolarHBondContact O-N 2.81Å; G580-P582 WeakPolarHBondContact O-CD 3.4Å | ||
| 581 | R | 34.5 | Very low | 32.2 | Very low | 252 Ų | 252 | 160.9 Ų | 160.9 | 95% | 0.951 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 126 | 172.3 | -72 | 179.9 | 173.7 | -178.9 | -2.1 | 108.9 | ||
| 582 | P | 35 | Very low | 32.2 | Very low | 119 Ų | 119 | 157.2 Ų | 157.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 120.8 | 154.6 | 32.6 | -26 | 0 | 0 | 0 | 109.1 | G580 | G580-P582 WeakPolarHBondContact O-CD 3.4Š|
| 583 | A | 37.3 | Very low | 32.2 | Very low | 101 Ų | 101 | 156.5 Ų | 156.5 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -83 | 119 | 163 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 584 | R | 34.6 | Very low | 32.1 | Very low | 233 Ų | 233 | 159.4 Ų | 159.4 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -135.7 | 117.3 | 160.4 | -77.9 | -162.9 | 171.8 | -149.5 | -2.1 | 109.7 | ||||
| 585 | R | 30.6 | Very low | 32 | Very low | 252 Ų | 252 | 161.2 Ų | 161.2 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | trans | -64.1 | 142.3 | 166.3 | -68.5 | 176.9 | 175.3 | 175 | -2.6 | 108.3 | ||||
| 586 | W | 27.8 | Very low | 32.8 | Very low | 246 Ų | 246 | 158.3 Ų | 158.3 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | trans | -78.8 | 139.5 | 163.1 | -71.8 | 8.1 | 0 | 0 | 0 | 108.9 | ||||
| 587 | A | 30.6 | Very low | 32.7 | Very low | 99 Ų | 99 | 161.2 Ų | 161.2 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -116.9 | 119.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 588 | L | 28.8 | Very low | 32.9 | Very low | 145 Ų | 145 | 166.1 Ų | 166.1 | 76% | 0.759 | 84% | 0.839 | S | S | * | * | trans | -74.7 | 143.2 | 167.3 | -75.5 | 149.4 | 0 | 0 | 0 | 108.2 | ||||
| 589 | S | 30 | Very low | 32.8 | Very low | 110 Ų | 110 | 162.4 Ų | 162.4 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -141 | 92.8 | 159.5 | 60.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 590 | D | 28.9 | Very low | 32.6 | Very low | 133 Ų | 133 | 162.6 Ų | 162.6 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | -65 | 129 | 168.7 | -58.2 | -67.6 | 0 | 0 | 0 | 109.4 | ||||
| 591 | Y | 29.1 | Very low | 32.5 | Very low | 230 Ų | 230 | 168.3 Ų | 168.3 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -140.6 | 111.5 | 150.1 | -86 | -70.8 | 0 | 0 | 0 | 109.5 | ||||
| 592 | S | 32.3 | Very low | 32.4 | Very low | 88 Ų | 88 | 163.1 Ų | 163.1 | 62% | 0.615 | 83% | 0.831 | S | S | * | * | trans | -102.5 | 129.7 | 168.4 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 593 | L | 31.4 | Very low | 32.2 | Very low | 181 Ų | 181 | 166 Ų | 166 | 95% | 0.948 | 84% | 0.835 | S | S | * | * | trans | -135.1 | 140.9 | 153.6 | -76.7 | 176 | 0 | 0 | 0 | 110.7 | ||||
| 594 | Y | 29.9 | Very low | 31.9 | Very low | 192 Ų | 192 | 170.6 Ų | 170.6 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | -92.7 | 146.3 | -166 | -102.9 | -128.8 | 0 | 0 | 0 | 112.8 | ||||
| 595 | L | 30.7 | Very low | 31.7 | Very low | 136 Ų | 136 | 165.8 Ų | 165.8 | 71% | 0.712 | 83% | 0.831 | S | S | * | * | trans | 43.8 | 178.3 | 134.9 | -84.8 | 109.5 | 0 | 0 | 0 | 120.8 | ||||
| 596 | P | 46.5 | Very low | 31.7 | Very low | 107 Ų | 107 | 158.7 Ų | 158.7 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | cis | -113.4 | 177.3 | -12.2 | 25.1 | -2.1 | 0 | 0 | 0 | 111.8 | ||||
| 597 | L | 35.1 | Very low | 32.1 | Very low | 237 Ų | 237 | 150.7 Ų | 150.7 | 100% | 1.241 | 81% | 0.811 | S | S | * | * | cis | -140.2 | 0 | 37.2 | -86 | 160.2 | 0 | 0 | 0 | 112.1 |
Retrieved 597 of 597 residues in 1680.2 ms
(Link to these results)