| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.9 | Very low | 73.3 | Confident | 224 Ų | 224 | 107.6 Ų | 107.6 | 100% | 1.103 | 58% | 0.577 | S | S | * | * | 0 | 120.1 | 0 | -57.8 | -57.4 | -148.4 | 0 | 0 | 108.9 | V3 | M1-V3 PolarHBondContact O-N 3.23Š| |||
| 2 | P | 54.9 | Low | 75 | Confident | 133 Ų | 133 | 104 Ų | 104 | 86% | 0.864 | 55% | 0.554 | S | S | * | * | trans | -69 | 118.7 | 175.4 | 27.3 | -31.2 | 0 | 0 | 0 | 110 | S4 | P2-S4 PolarHBondContact O-N 3.23Š| ||
| 3 | V | 61.6 | Low | 76.4 | Confident | 83 Ų | 83 | 99.1 Ų | 99.1 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | trans | -70.5 | 115.5 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 108 | M1 A7 K8 | M1-V3 PolarHBondContact O-N 3.23Å; V3-A7 HydrophobicContact CG1-CB 3.58Å; V3-K8 HydrophobicContact CG1-CG 4.12Å | ||
| 4 | S | 68 | Low | 77.7 | Confident | 72 Ų | 72 | 95.4 Ų | 95.4 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | trans | -57.8 | 144.9 | 174.6 | 70.3 | 0 | 0 | 0 | 0 | 109.2 | P2 N6 A7 | P2-S4 PolarHBondContact O-N 3.23Å; S4-N6 PolarHBondContact O-N 3.36Å; S4-A7 WeakPolarHBondContact O-CB 3.22Å; S4-A7 PolarHBondContact O-N 2.98Å; S4-A7 PolarHBondContact OG-N 2.93Å | ||
| 5 | K | 67.4 | Low | 78.9 | Confident | 201 Ų | 201 | 95 Ų | 95 | 87% | 0.874 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -30.7 | -176.9 | -64.7 | 176.8 | -177.2 | 177.2 | 0 | 112.4 | ||
| 6 | N | 70.9 | Confident | 80 | Confident | 93 Ų | 93 | 95.1 Ų | 95.1 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -27 | 178.9 | -148.4 | -17.2 | 0 | 0 | 0 | 113.5 | S4 K8 I9 S10 F34 | S4-N6 PolarHBondContact O-N 3.36Å; N6-K8 PolarHBondContact O-N 3.26Å; N6-I9 VanDerWaalsContact O-CG2 3.27Å; N6-I9 WeakPolarHBondContact O-CG2 3.02Å; N6-I9 PolarHBondContact O-N 2.92Å; N6-I9 WeakPolarHBondContact OD1-CG2 3.47Å; N6-S10 PolarHBondContact O-N 3.42Å; N6-F34 WeakPolarHBondContact OD1-CE2 3.32Å |
| 7 | A | 77.7 | Confident | 80.9 | Confident | 32 Ų | 32 | 89.7 Ų | 89.7 | 26% | 0.264 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.7 | -27.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V3 S4 S10 Q11 | V3-A7 HydrophobicContact CG1-CB 3.58Å; S4-A7 WeakPolarHBondContact O-CB 3.22Å; S4-A7 PolarHBondContact O-N 2.98Å; S4-A7 PolarHBondContact OG-N 2.93Å; A7-S10 PolarHBondContact O-N 3.07Å; A7-Q11 WeakPolarHBondContact O-CG 2.95Å; A7-Q11 PolarHBondContact O-N 3.34Å |
| 8 | K | 85.8 | Confident | 81.8 | Confident | 134 Ų | 134 | 88.3 Ų | 88.3 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | 176.9 | -66.5 | -172.1 | 179.3 | -174.1 | 0 | 112.7 | V3 N6 H12 | V3-K8 HydrophobicContact CG1-CG 4.12Å; N6-K8 PolarHBondContact O-N 3.26Å; K8-H12 PolarHBondContact O-CE1 3.4Å; K8-H12 PolarHBondContact O-ND1 2.95Å |
| 9 | I | 89.5 | Confident | 82.5 | Confident | 23 Ų | 23 | 83.7 Ų | 83.7 | 12% | 0.118 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -76.2 | -35.2 | -179.8 | -172.3 | 55.9 | 0 | 0 | 0 | 111.5 | N6 Q11 H12 F31 F34 M81 | N6-I9 VanDerWaalsContact O-CG2 3.27Å; N6-I9 WeakPolarHBondContact O-CG2 3.02Å; N6-I9 PolarHBondContact O-N 2.92Å; N6-I9 WeakPolarHBondContact OD1-CG2 3.47Å; I9-Q11 PolarHBondContact O-N 3.47Å; I9-H12 PolarHBondContact O-N 3.38Å; I9-F31 HydrophobicContact CD1-CE1 3.76Å; I9-F31 HydrophobicContact CD1-CZ 3.82Å; I9-F31 HydrophobicContact CG1-CE1 3.97Å; I9-F31 HydrophobicContact CG1-CZ 3.8Å; I9-F34 HydrophobicContact CG1-CD1 4.45Å; I9-F34 HydrophobicContact CG1-CG 4.39Å; I9-F34 HydrophobicContact CG2-CD1 4.48Å; I9-F34 HydrophobicContact CG2-CD2 4.01Å; I9-F34 HydrophobicContact CG2-CE1 4.2Å; I9-F34 HydrophobicContact CG2-CE2 3.7Å; I9-F34 HydrophobicContact CG2-CG 4.4Å; I9-F34 HydrophobicContact CG2-CZ 3.8Å; I9-M81 HydrophobicContact CD1-CE 3.31Å; I9-M81 HydrophobicContact CD1-SD 4.43Å; I9-M81 HydrophobicContact CG1-CE 4.24Å |
| 10 | S | 90.4 | Very high | 83.2 | Confident | 68 Ų | 68 | 81.3 Ų | 81.3 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.2 | -33.9 | 177 | -167 | 0 | 0 | 0 | 0 | 113 | N6 A7 H12 V13 | N6-S10 PolarHBondContact O-N 3.42Å; A7-S10 PolarHBondContact O-N 3.07Å; S10-H12 PolarHBondContact O-N 3.36Å; S10-V13 WeakPolarHBondContact O-CB 3.09Å; S10-V13 WeakPolarHBondContact O-CG2 3.37Å; S10-V13 PolarHBondContact O-N 3.09Å |
| 11 | Q | 91.7 | Very high | 83.7 | Confident | 121 Ų | 121 | 78.8 Ų | 78.8 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.7 | 176.8 | -73 | 169.3 | -3.8 | 0 | 0 | 114.2 | A7 I9 | A7-Q11 WeakPolarHBondContact O-CG 2.95Å; A7-Q11 PolarHBondContact O-N 3.34Å; I9-Q11 PolarHBondContact O-N 3.47Å |
| 12 | H | 92.8 | Very high | 85.9 | Confident | 64 Ų | 64 | 74 Ų | 74 | 30% | 0.296 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -3.6 | -178.3 | -58.7 | 101.9 | 0 | 0 | 0 | 112.6 | K8 I9 S10 N14 Y15 I17 F31 V83 | K8-H12 PolarHBondContact O-CE1 3.4Å; K8-H12 PolarHBondContact O-ND1 2.95Å; I9-H12 PolarHBondContact O-N 3.38Å; S10-H12 PolarHBondContact O-N 3.36Å; H12-N14 PolarHBondContact O-N 3.18Å; H12-Y15 VanDerWaalsContact O-CB 3.29Å; H12-Y15 WeakPolarHBondContact O-CB 3.37Å; H12-Y15 PolarHBondContact O-N 3.01Å; H12-I17 HydrophobicContact CB-CD1 3.81Å; H12-F31 HydrophobicContact CB-CD1 4.32Å; H12-F31 HydrophobicContact CB-CE1 4.48Å; H12-F31 WeakPolarHBondContact O-CD1 3.45Å; H12-V83 WeakPolarHBondContact CD2-CG2 3.33Å |
| 13 | V | 93.7 | Very high | 87.7 | Confident | 40 Ų | 40 | 72 Ų | 72 | 24% | 0.242 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 138.7 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | S10 Y15 F31 F34 | S10-V13 WeakPolarHBondContact O-CB 3.09Å; S10-V13 WeakPolarHBondContact O-CG2 3.37Å; S10-V13 PolarHBondContact O-N 3.09Å; V13-Y15 PolarHBondContact O-N 3.2Å; V13-F31 HydrophobicContact CG2-CD1 4.17Å; V13-F31 HydrophobicContact CG2-CE1 3.78Å; V13-F34 HydrophobicContact CG2-CD1 4.29Å; V13-F34 HydrophobicContact CG2-CE1 4.22Å |
| 14 | N | 94.5 | Very high | 89 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -8.6 | -169.8 | -59.8 | -51 | 0 | 0 | 0 | 116.5 | H12 T30 F31 K32 P87 | H12-N14 PolarHBondContact O-N 3.18Å; N14-T30 WeakPolarHBondContact O-CG2 3.4Å; N14-F31 VanDerWaalsContact CA-O 3.29Å; N14-F31 WeakPolarHBondContact CA-O 3.39Å; N14-F31 PolarHBondContact N-O 3Å; N14-K32 WeakPolarHBondContact OD1-CD 3.33Å; N14-K32 PolarHBondContact OD1-NZ 2.83Å; N14-P87 HydrophobicContact CB-CB 4.13Å; N14-P87 HydrophobicContact CB-CG 4.41Å; N14-P87 WeakPolarHBondContact O-CA 3.2Å; N14-P87 VanDerWaalsContact O-CB 3.26Å; N14-P87 WeakPolarHBondContact O-CB 3.37Å |
| 15 | Y | 95.9 | Very high | 90.2 | Very high | 89 Ų | 89 | 70.2 Ų | 70.2 | 35% | 0.349 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -72.5 | 157 | 175 | -75.1 | -110.1 | 0 | 0 | 0 | 111.3 | H12 V13 I17 F31 V83 P87 | H12-Y15 VanDerWaalsContact O-CB 3.29Å; H12-Y15 WeakPolarHBondContact O-CB 3.37Å; H12-Y15 PolarHBondContact O-N 3.01Å; V13-Y15 PolarHBondContact O-N 3.2Å; Y15-I17 PolarHBondContact O-N 3.12Å; Y15-F31 PolarHBondContact O-N 2.75Å; Y15-V83 HydrophobicContact CD1-CG1 3.7Å; Y15-V83 HydrophobicContact CG-CG1 4.38Å; Y15-P87 HydrophobicContact CD1-CG 4.27Å; Y15-P87 HydrophobicContact CD2-CG 3.74Å; Y15-P87 HydrophobicContact CE1-CG 4.31Å; Y15-P87 HydrophobicContact CE2-CG 3.78Å; Y15-P87 HydrophobicContact CG-CG 3.99Å |
| 16 | R | 95.9 | Very high | 91.6 | Very high | 97 Ų | 97 | 62.6 Ų | 62.6 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 119.1 | 166.8 | -160.8 | 175.3 | -169 | 170.9 | 1.8 | 108.3 | V28 G29 D84 G85 | R16-V28 HydrophobicContact CG-CG1 4.05Å; R16-G29 WeakPolarHBondContact CA-O 3.48Å; R16-D84 PolarHBondContact O-N 3.11Å; R16-G85 PolarHBondContact N-O 3.22Å; R16-G85 VanDerWaalsContact N-O 3.09Å; R16-G85 PolarHBondContact O-N 2.88Å; R16-G85 VanDerWaalsContact O-N 3.14Å |
| 17 | I | 96.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.6 | -175.7 | -60.6 | -171.1 | 0 | 0 | 0 | 109.4 | H12 Y15 V28 G29 F31 M81 N82 | H12-I17 HydrophobicContact CB-CD1 3.81Å; Y15-I17 PolarHBondContact O-N 3.12Å; I17-V28 WeakPolarHBondContact O-CA 3.26Å; I17-G29 PolarHBondContact N-O 3Å; I17-G29 PolarHBondContact O-N 2.97Å; I17-F31 HydrophobicContact CB-CB 4.29Å; I17-F31 HydrophobicContact CD1-CB 3.37Å; I17-F31 HydrophobicContact CD1-CD1 3.44Å; I17-F31 VanDerWaalsContact CD1-CD1 3.44Å; I17-F31 HydrophobicContact CD1-CD2 4.41Å; I17-F31 HydrophobicContact CD1-CE1 4.26Å; I17-F31 HydrophobicContact CD1-CG 3.51Å; I17-F31 HydrophobicContact CG1-CB 3.74Å; I17-F31 HydrophobicContact CG1-CG 4.42Å; I17-M81 HydrophobicContact CG2-CB 3.85Å; I17-M81 HydrophobicContact CG2-CG 4.45Å; I17-N82 CarbonylContact C-O 3.58Å; I17-N82 WeakPolarHBondContact CA-O 3.39Å; I17-N82 WeakPolarHBondContact CG2-O 3.16Å |
| 18 | R | 96.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 57 Ų | 57 | 24% | 0.242 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.6 | 165.9 | -177.9 | -178.4 | -58.3 | -103.7 | -3.1 | 109.2 | L27 V28 M81 N82 D84 | R18-L27 CarbonylContact C-O 3.56Å; R18-L27 WeakPolarHBondContact CA-O 3.49Å; R18-V28 HydrophobicContact CB-CG2 4.11Å; R18-V28 HydrophobicContact CG-CG2 3.97Å; R18-M81 WeakPolarHBondContact O-CA 2.95Å; R18-N82 PolarHBondContact N-O 3.23Å; R18-N82 PolarHBondContact O-N 2.92Å; R18-D84 HydrophobicContact CB-CB 4.2Å; R18-D84 IonicContact CZ-OD1 3.36Å; R18-D84 IonicContact NE-OD1 3.09Å; R18-D84 PolarHBondContact NE-OD1 3.47Å; R18-D84 VanDerWaalsContact NE-OD1 3.09Å; R18-D84 IonicContact NH2-OD1 2.74Å; R18-D84 PolarHBondContact NH2-OD1 3.19Å; R18-D84 IonicContact NH2-OD2 3.94Å |
| 19 | C | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.4 | 175.9 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | Q26 L27 L42 T80 | C19-Q26 CarbonylContact O-C 3.49Å; C19-Q26 WeakPolarHBondContact O-CA 3.31Å; C19-L27 HydrophobicContact CB-CB 4.4Å; C19-L27 PolarHBondContact N-O 2.95Å; C19-L27 PolarHBondContact O-N 2.83Å; C19-L42 HydrophobicContact CB-CD1 4.49Å; C19-T80 WeakPolarHBondContact CA-O 3.41Å |
| 20 | T | 95.8 | Very high | 94.5 | Very high | 35 Ų | 35 | 50 Ų | 50 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.2 | 171.9 | -51.7 | 0 | 0 | 0 | 0 | 109.3 | V79 T80 | T20-V79 PolarHBondContact O-N 3.02Å; T20-T80 WeakPolarHBondContact CB-OG1 3.24Å; T20-T80 PolarHBondContact N-O 3.34Å; T20-T80 PolarHBondContact O-N 3.34Å; T20-T80 PolarHBondContact OG1-OG1 2.79Å |
| 21 | M | 94.8 | Very high | 94.8 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 160.3 | 178.2 | -64.2 | -170 | 64.4 | 0 | 0 | 112.1 | D23 G24 R25 L27 L73 H77 | M21-D23 VanDerWaalsContact CB-OD1 3.29Å; M21-D23 WeakPolarHBondContact CB-OD1 3.1Å; M21-D23 PolarHBondContact O-N 2.76Å; M21-G24 PolarHBondContact O-N 2.81Å; M21-R25 HydrophobicContact CB-CB 4.3Å; M21-R25 HydrophobicContact CG-CB 4.49Å; M21-R25 PolarHBondContact N-O 2.8Å; M21-R25 HydrophobicContact SD-CB 4.32Å; M21-L27 HydrophobicContact CG-CD1 4.24Å; M21-L27 HydrophobicContact CG-CG 4.3Å; M21-L27 HydrophobicContact SD-CD1 3.63Å; M21-L27 HydrophobicContact SD-CD2 4.43Å; M21-L27 HydrophobicContact SD-CG 3.92Å; M21-L73 HydrophobicContact CE-CD1 3.71Å; M21-L73 HydrophobicContact SD-CD1 3.91Å; M21-H77 CarbonylContact C-O 3.52Å; M21-H77 VanDerWaalsContact CA-O 3.27Å; M21-H77 WeakPolarHBondContact CA-O 3.04Å; M21-H77 HydrophobicContact CE-CB 3.99Å |
| 22 | Q | 95 | Very high | 95 | Very high | 124 Ų | 124 | 44.6 Ų | 44.6 | 58% | 0.579 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.1 | 177.1 | -77.3 | 179 | -25.9 | 0 | 0 | 114 | G24 E76 H77 V79 | Q22-G24 VanDerWaalsContact C-N 3.25Å; Q22-G24 PolarHBondContact O-N 3.06Å; Q22-E76 PolarHBondContact NE2-O 2.91Å; Q22-E76 PolarHBondContact OE1-O 2.89Å; Q22-H77 PolarHBondContact N-O 3.42Å; Q22-H77 PolarHBondContact OE1-ND1 3.13Å; Q22-V79 HydrophobicContact CB-CG2 4.23Å; Q22-V79 HydrophobicContact CG-CG2 3.65Å |
| 23 | D | 91.6 | Very high | 95 | Very high | 90 Ų | 90 | 43.4 Ų | 43.4 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 5.4 | 178.7 | 70.7 | -14 | 0 | 0 | 0 | 113.5 | M21 R25 | M21-D23 VanDerWaalsContact CB-OD1 3.29Å; M21-D23 WeakPolarHBondContact CB-OD1 3.1Å; M21-D23 PolarHBondContact O-N 2.76Å; D23-R25 WeakPolarHBondContact OD1-CB 3.46Å; D23-R25 WeakPolarHBondContact OD1-CD 3.35Å; D23-R25 WeakPolarHBondContact OD1-CG 3.14Å; D23-R25 PolarHBondContact OD1-N 3.36Å; D23-R25 IonicContact OD1-NE 3.87Å; D23-R25 WeakPolarHBondContact OD2-CD 3.48Å; D23-R25 IonicContact OD2-CZ 3.88Å; D23-R25 IonicContact OD2-NE 2.83Å; D23-R25 PolarHBondContact OD2-NE 2.88Å; D23-R25 IonicContact OD2-NH2 3.46Å; D23-R25 PolarHBondContact OD2-NH2 2.97Å |
| 24 | G | 90.5 | Very high | 95.1 | Very high | 46 Ų | 46 | 44.6 Ų | 44.6 | 47% | 0.474 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 86.4 | 3.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | M21 Q22 | M21-G24 PolarHBondContact O-N 2.81Å; Q22-G24 VanDerWaalsContact C-N 3.25Å; Q22-G24 PolarHBondContact O-N 3.06Å |
| 25 | R | 93 | Very high | 95 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 27% | 0.272 | 23% | 0.226 | S | C | . | . | trans | -71.4 | 151 | 171.3 | -64.4 | 169.6 | -167.3 | -156.6 | 28 | 110.9 | M21 D23 E47 | M21-R25 HydrophobicContact CB-CB 4.3Å; M21-R25 HydrophobicContact CG-CB 4.49Å; M21-R25 PolarHBondContact N-O 2.8Å; M21-R25 HydrophobicContact SD-CB 4.32Å; D23-R25 WeakPolarHBondContact OD1-CB 3.46Å; D23-R25 WeakPolarHBondContact OD1-CD 3.35Å; D23-R25 WeakPolarHBondContact OD1-CG 3.14Å; D23-R25 PolarHBondContact OD1-N 3.36Å; D23-R25 IonicContact OD1-NE 3.87Å; D23-R25 WeakPolarHBondContact OD2-CD 3.48Å; D23-R25 IonicContact OD2-CZ 3.88Å; D23-R25 IonicContact OD2-NE 2.83Å; D23-R25 PolarHBondContact OD2-NE 2.88Å; D23-R25 IonicContact OD2-NH2 3.46Å; D23-R25 PolarHBondContact OD2-NH2 2.97Å; R25-E47 HydrophobicContact CB-CG 4.48Å; R25-E47 WeakPolarHBondContact CD-OE1 3.39Å; R25-E47 IonicContact CZ-OE1 3.33Å; R25-E47 IonicContact NE-OE1 2.66Å; R25-E47 PolarHBondContact NE-OE1 2.91Å; R25-E47 IonicContact NH1-OE1 3.36Å; R25-E47 PolarHBondContact NH1-OE1 3.05Å; R25-E47 IonicContact NH1-OE2 3.41Å; R25-E47 PolarHBondContact NH1-OE2 2.83Å | ||
| 26 | Q | 95.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 19% | 0.192 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.8 | 171 | -63.7 | -175.1 | -0.7 | 0 | 0 | 109.2 | C19 E47 F48 | C19-Q26 CarbonylContact O-C 3.49Å; C19-Q26 WeakPolarHBondContact O-CA 3.31Å; Q26-E47 CarbonylContact O-C 3.52Å; Q26-E47 WeakPolarHBondContact O-CA 3.44Å; Q26-F48 HydrophobicContact CB-CB 4.21Å; Q26-F48 PolarHBondContact N-O 2.97Å; Q26-F48 PolarHBondContact O-N 3.41Å |
| 27 | L | 96.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.6 | 172.8 | -58.5 | -177.8 | 0 | 0 | 0 | 108.6 | R18 C19 M21 L42 D46 E47 L68 L73 | R18-L27 CarbonylContact C-O 3.56Å; R18-L27 WeakPolarHBondContact CA-O 3.49Å; C19-L27 HydrophobicContact CB-CB 4.4Å; C19-L27 PolarHBondContact N-O 2.95Å; C19-L27 PolarHBondContact O-N 2.83Å; M21-L27 HydrophobicContact CG-CD1 4.24Å; M21-L27 HydrophobicContact CG-CG 4.3Å; M21-L27 HydrophobicContact SD-CD1 3.63Å; M21-L27 HydrophobicContact SD-CD2 4.43Å; M21-L27 HydrophobicContact SD-CG 3.92Å; L27-L42 HydrophobicContact CB-CD1 4.1Å; L27-D46 CarbonylContact C-O 3.57Å; L27-D46 WeakPolarHBondContact CA-O 3.34Å; L27-E47 HydrophobicContact CD2-CB 3.62Å; L27-E47 HydrophobicContact CD2-CG 3.85Å; L27-L68 HydrophobicContact CD2-CD1 3.82Å; L27-L73 HydrophobicContact CD1-CD1 3.73Å |
| 28 | V | 96.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.3 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | R16 I17 R18 C45 D46 F48 D84 | R16-V28 HydrophobicContact CG-CG1 4.05Å; I17-V28 WeakPolarHBondContact O-CA 3.26Å; R18-V28 HydrophobicContact CB-CG2 4.11Å; R18-V28 HydrophobicContact CG-CG2 3.97Å; V28-C45 CarbonylContact O-C 3.55Å; V28-C45 WeakPolarHBondContact O-CA 3.29Å; V28-D46 PolarHBondContact N-O 3.13Å; V28-D46 PolarHBondContact O-N 3.18Å; V28-F48 HydrophobicContact CB-CD2 4.42Å; V28-F48 HydrophobicContact CB-CE2 3.94Å; V28-F48 HydrophobicContact CG2-CD2 3.85Å; V28-F48 HydrophobicContact CG2-CE2 3.7Å; V28-D84 HydrophobicContact CG1-CB 4.38Å |
| 29 | G | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R16 I17 F31 C43 | R16-G29 WeakPolarHBondContact CA-O 3.48Å; I17-G29 PolarHBondContact N-O 3Å; I17-G29 PolarHBondContact O-N 2.97Å; G29-F31 PolarHBondContact O-N 3.16Å; G29-C43 CarbonylContact C-O 3.55Å; G29-C43 WeakPolarHBondContact CA-O 3.47Å |
| 30 | T | 96.5 | Very high | 94.5 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.3 | 178 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | N14 K32 L42 C43 P88 | N14-T30 WeakPolarHBondContact O-CG2 3.4Å; T30-K32 HydrophobicContact CG2-CD 4.42Å; T30-K32 PolarHBondContact O-N 3.29Å; T30-L42 CarbonylContact O-C 3.59Å; T30-L42 WeakPolarHBondContact O-CA 3.17Å; T30-C43 PolarHBondContact N-O 2.85Å; T30-C43 PolarHBondContact O-N 3.49Å; T30-P88 HydrophobicContact CG2-CG 4.41Å |
| 31 | F | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 113.8 | -177.8 | 176.2 | -128.1 | 0 | 0 | 0 | 111.4 | I9 H12 V13 N14 Y15 I17 G29 A33 F34 I40 L42 | I9-F31 HydrophobicContact CD1-CE1 3.76Å; I9-F31 HydrophobicContact CD1-CZ 3.82Å; I9-F31 HydrophobicContact CG1-CE1 3.97Å; I9-F31 HydrophobicContact CG1-CZ 3.8Å; H12-F31 HydrophobicContact CB-CD1 4.32Å; H12-F31 HydrophobicContact CB-CE1 4.48Å; H12-F31 WeakPolarHBondContact O-CD1 3.45Å; V13-F31 HydrophobicContact CG2-CD1 4.17Å; V13-F31 HydrophobicContact CG2-CE1 3.78Å; N14-F31 VanDerWaalsContact CA-O 3.29Å; N14-F31 WeakPolarHBondContact CA-O 3.39Å; N14-F31 PolarHBondContact N-O 3Å; Y15-F31 PolarHBondContact O-N 2.75Å; I17-F31 HydrophobicContact CB-CB 4.29Å; I17-F31 HydrophobicContact CD1-CB 3.37Å; I17-F31 HydrophobicContact CD1-CD1 3.44Å; I17-F31 VanDerWaalsContact CD1-CD1 3.44Å; I17-F31 HydrophobicContact CD1-CD2 4.41Å; I17-F31 HydrophobicContact CD1-CE1 4.26Å; I17-F31 HydrophobicContact CD1-CG 3.51Å; I17-F31 HydrophobicContact CG1-CB 3.74Å; I17-F31 HydrophobicContact CG1-CG 4.42Å; G29-F31 PolarHBondContact O-N 3.16Å; F31-A33 VanDerWaalsContact CE2-O 3.23Å; F31-A33 WeakPolarHBondContact CE2-O 3.46Å; F31-F34 HydrophobicContact CE1-CD1 4.34Å; F31-F34 HydrophobicContact CE2-CB 3.92Å; F31-F34 HydrophobicContact CZ-CB 3.66Å; F31-F34 AromaticContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CG 4.06Å; F31-I40 HydrophobicContact CD2-CG2 3.42Å; F31-I40 VanDerWaalsContact CD2-CG2 3.42Å; F31-I40 HydrophobicContact CE2-CB 4.27Å; F31-I40 HydrophobicContact CE2-CG1 4Å; F31-I40 HydrophobicContact CE2-CG2 3.5Å; F31-I40 VanDerWaalsContact CE2-CG2 3.5Å; F31-L42 HydrophobicContact CB-CD2 4.14Å; F31-L42 HydrophobicContact CD2-CD2 4.32Å |
| 32 | K | 95 | Very high | 94.6 | Very high | 75 Ų | 75 | 55.4 Ų | 55.4 | 33% | 0.326 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -37.6 | -174.4 | -74.4 | -61.6 | -172.7 | 178.8 | 0 | 114.3 | N14 T30 I41 C43 | N14-K32 WeakPolarHBondContact OD1-CD 3.33Å; N14-K32 PolarHBondContact OD1-NZ 2.83Å; T30-K32 HydrophobicContact CG2-CD 4.42Å; T30-K32 PolarHBondContact O-N 3.29Å; K32-I41 HydrophobicContact CB-CB 4.49Å; K32-I41 HydrophobicContact CB-CG2 4.23Å; K32-I41 PolarHBondContact N-O 3.29Å; K32-C43 HydrophobicContact CG-CB 4.31Å; K32-C43 VanDerWaalsContact CG-SG 3.56Å |
| 33 | A | 94.7 | Very high | 94.6 | Very high | 38 Ų | 38 | 51 Ų | 51 | 31% | 0.314 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 156.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F31 I40 I41 | F31-A33 VanDerWaalsContact CE2-O 3.23Å; F31-A33 WeakPolarHBondContact CE2-O 3.46Å; A33-I40 WeakPolarHBondContact O-CA 3.42Å; A33-I41 HydrophobicContact CB-CB 4.13Å; A33-I41 HydrophobicContact CB-CD1 3.9Å; A33-I41 HydrophobicContact CB-CG1 4.1Å; A33-I41 PolarHBondContact O-N 3.45Å |
| 34 | F | 94.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159.3 | 171.6 | 67.3 | -80.4 | 0 | 0 | 0 | 111.9 | N6 I9 V13 F31 N39 | N6-F34 WeakPolarHBondContact OD1-CE2 3.32Å; I9-F34 HydrophobicContact CG1-CD1 4.45Å; I9-F34 HydrophobicContact CG1-CG 4.39Å; I9-F34 HydrophobicContact CG2-CD1 4.48Å; I9-F34 HydrophobicContact CG2-CD2 4.01Å; I9-F34 HydrophobicContact CG2-CE1 4.2Å; I9-F34 HydrophobicContact CG2-CE2 3.7Å; I9-F34 HydrophobicContact CG2-CG 4.4Å; I9-F34 HydrophobicContact CG2-CZ 3.8Å; V13-F34 HydrophobicContact CG2-CD1 4.29Å; V13-F34 HydrophobicContact CG2-CE1 4.22Å; F31-F34 HydrophobicContact CE1-CD1 4.34Å; F31-F34 HydrophobicContact CE2-CB 3.92Å; F31-F34 HydrophobicContact CZ-CB 3.66Å; F31-F34 AromaticContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CG 4.06Å; F34-N39 CarbonylContact C-O 3.56Å; F34-N39 VanDerWaalsContact CA-O 3.23Å; F34-N39 WeakPolarHBondContact CA-O 3.38Å |
| 35 | D | 93.2 | Very high | 95.1 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | trans | -115.9 | 167.3 | 176.5 | -174.5 | 14.9 | 0 | 0 | 0 | 111 | H37 M38 N39 | D35-H37 PolarHBondContact O-N 3.04Å; D35-H37 IonicContact OD2-CD2 3.62Å; D35-M38 PolarHBondContact O-N 3.28Å; D35-N39 HydrophobicContact CB-CB 3.81Å; D35-N39 PolarHBondContact N-O 2.75Å; D35-N39 PolarHBondContact OD2-ND2 3.08Å | ||
| 36 | R | 91.8 | Very high | 95.2 | Very high | 228 Ų | 228 | 47.7 Ų | 47.7 | 86% | 0.86 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -31.9 | 170.1 | -177.1 | -179.8 | -179.6 | -175.7 | 0.2 | 112.5 | M38 | R36-M38 VanDerWaalsContact C-N 3.28Š|
| 37 | H | 92.9 | Very high | 95.2 | Very high | 133 Ų | 133 | 46.5 Ų | 46.5 | 62% | 0.616 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 6 | 177.6 | -65 | -66.8 | 0 | 0 | 0 | 114 | D35 N39 G75 | D35-H37 PolarHBondContact O-N 3.04Å; D35-H37 IonicContact OD2-CD2 3.62Å; H37-N39 PolarHBondContact O-N 3.19Å; H37-G75 WeakPolarHBondContact O-CA 3.34Å |
| 38 | M | 92.7 | Very high | 95.1 | Very high | 67 Ų | 67 | 48 Ų | 48 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | trans | 62 | 25.3 | -170.3 | -59.8 | -65.4 | -63.4 | 0 | 0 | 113.4 | D35 R36 I40 G75 M81 | D35-M38 PolarHBondContact O-N 3.28Å; R36-M38 VanDerWaalsContact C-N 3.28Å; M38-I40 WeakPolarHBondContact O-CD1 3.27Å; M38-I40 WeakPolarHBondContact O-CG1 3.29Å; M38-I40 PolarHBondContact O-N 2.81Å; M38-G75 WeakPolarHBondContact O-CA 3.36Å; M38-G75 PolarHBondContact O-N 3.29Å; M38-M81 HydrophobicContact CE-CE 3.29Å; M38-M81 HydrophobicContact CE-SD 4.25Å | ||
| 39 | N | 95.4 | Very high | 94.8 | Very high | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | trans | -65.8 | 128.6 | 164 | -57.7 | -38.9 | 0 | 0 | 0 | 107.7 | F34 D35 H37 L73 R74 G75 | F34-N39 CarbonylContact C-O 3.56Å; F34-N39 VanDerWaalsContact CA-O 3.23Å; F34-N39 WeakPolarHBondContact CA-O 3.38Å; D35-N39 HydrophobicContact CB-CB 3.81Å; D35-N39 PolarHBondContact N-O 2.75Å; D35-N39 PolarHBondContact OD2-ND2 3.08Å; H37-N39 PolarHBondContact O-N 3.19Å; N39-L73 CarbonylContact C-O 3.55Å; N39-L73 VanDerWaalsContact CA-O 3.24Å; N39-L73 WeakPolarHBondContact CA-O 3.5Å; N39-R74 WeakPolarHBondContact OD1-CA 3.4Å; N39-G75 PolarHBondContact OD1-N 3.36Å | ||
| 40 | I | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.6 | -169.7 | -67.6 | 152.4 | 0 | 0 | 0 | 109.6 | F31 A33 M38 L42 L73 V78 M81 | F31-I40 HydrophobicContact CD2-CG2 3.42Å; F31-I40 VanDerWaalsContact CD2-CG2 3.42Å; F31-I40 HydrophobicContact CE2-CB 4.27Å; F31-I40 HydrophobicContact CE2-CG1 4Å; F31-I40 HydrophobicContact CE2-CG2 3.5Å; F31-I40 VanDerWaalsContact CE2-CG2 3.5Å; A33-I40 WeakPolarHBondContact O-CA 3.42Å; M38-I40 WeakPolarHBondContact O-CD1 3.27Å; M38-I40 WeakPolarHBondContact O-CG1 3.29Å; M38-I40 PolarHBondContact O-N 2.81Å; I40-L42 HydrophobicContact CG2-CD2 3.77Å; I40-L42 HydrophobicContact CG2-CG 3.92Å; I40-L73 PolarHBondContact N-O 3.18Å; I40-L73 PolarHBondContact O-N 2.99Å; I40-V78 HydrophobicContact CD1-CG1 4.21Å; I40-V78 HydrophobicContact CD1-CG2 3.68Å; I40-M81 HydrophobicContact CD1-CE 4.43Å; I40-M81 HydrophobicContact CD1-CG 4.41Å; I40-M81 HydrophobicContact CD1-SD 3.26Å; I40-M81 WeakPolarHBondContact CD1-SD 3.41Å; I40-M81 HydrophobicContact CG1-SD 4.23Å |
| 41 | I | 97 | Very high | 93.2 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 30% | 0.297 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122 | 168 | -58.1 | -176.8 | 0 | 0 | 0 | 108.6 | K32 A33 L70 V71 L72 | K32-I41 HydrophobicContact CB-CB 4.49Å; K32-I41 HydrophobicContact CB-CG2 4.23Å; K32-I41 PolarHBondContact N-O 3.29Å; A33-I41 HydrophobicContact CB-CB 4.13Å; A33-I41 HydrophobicContact CB-CD1 3.9Å; A33-I41 HydrophobicContact CB-CG1 4.1Å; A33-I41 PolarHBondContact O-N 3.45Å; I41-L70 HydrophobicContact CG2-CD1 3.89Å; I41-V71 WeakPolarHBondContact CA-O 3.26Å; I41-L72 HydrophobicContact CD1-CD1 4.3Å; I41-L72 HydrophobicContact CG1-CD1 3.64Å |
| 42 | L | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.5 | 170.8 | -61.4 | -179.6 | 0 | 0 | 0 | 108.8 | C19 L27 T30 F31 I40 C45 V71 | C19-L42 HydrophobicContact CB-CD1 4.49Å; L27-L42 HydrophobicContact CB-CD1 4.1Å; T30-L42 CarbonylContact O-C 3.59Å; T30-L42 WeakPolarHBondContact O-CA 3.17Å; F31-L42 HydrophobicContact CB-CD2 4.14Å; F31-L42 HydrophobicContact CD2-CD2 4.32Å; I40-L42 HydrophobicContact CG2-CD2 3.77Å; I40-L42 HydrophobicContact CG2-CG 3.92Å; L42-C45 WeakPolarHBondContact CB-SG 3.17Å; L42-C45 PolarHBondContact O-SG 2.74Å; L42-V71 PolarHBondContact N-O 2.87Å; L42-V71 PolarHBondContact O-N 2.79Å |
| 43 | C | 95.5 | Very high | 90.6 | Very high | 30 Ų | 30 | 69.8 Ų | 69.8 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 152.5 | 169.9 | -69.8 | 0 | 0 | 0 | 0 | 110.8 | G29 T30 K32 C45 L70 | G29-C43 CarbonylContact C-O 3.55Å; G29-C43 WeakPolarHBondContact CA-O 3.47Å; T30-C43 PolarHBondContact N-O 2.85Å; T30-C43 PolarHBondContact O-N 3.49Å; K32-C43 HydrophobicContact CG-CB 4.31Å; K32-C43 VanDerWaalsContact CG-SG 3.56Å; C43-C45 VanDerWaalsContact C-N 3.26Å; C43-C45 PolarHBondContact O-N 2.97Å; C43-L70 VanDerWaalsContact SG-CD1 3.57Å |
| 44 | D | 95.2 | Very high | 89.3 | Confident | 120 Ų | 120 | 78.3 Ų | 78.3 | 64% | 0.642 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.3 | 47.7 | 178.8 | -53.6 | -44.4 | 0 | 0 | 0 | 113.1 | G69 | D44-G69 PolarHBondContact N-O 2.75Å |
| 45 | C | 96.1 | Very high | 88 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 135 | -173.3 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | V28 L42 C43 L68 G69 V71 | V28-C45 CarbonylContact O-C 3.55Å; V28-C45 WeakPolarHBondContact O-CA 3.29Å; L42-C45 WeakPolarHBondContact CB-SG 3.17Å; L42-C45 PolarHBondContact O-SG 2.74Å; C43-C45 VanDerWaalsContact C-N 3.26Å; C43-C45 PolarHBondContact O-N 2.97Å; C45-L68 HydrophobicContact CB-CB 4.13Å; C45-L68 PolarHBondContact O-N 2.85Å; C45-G69 VanDerWaalsContact CB-O 3.31Å; C45-G69 WeakPolarHBondContact CB-O 3.47Å; C45-G69 PolarHBondContact N-O 2.83Å; C45-G69 PolarHBondContact O-N 3.07Å; C45-G69 VanDerWaalsContact O-N 3.16Å; C45-G69 PolarHBondContact SG-O 3.4Å; C45-V71 HydrophobicContact CB-CB 4.38Å; C45-V71 HydrophobicContact CB-CG2 3.71Å |
| 46 | D | 96.4 | Very high | 86.4 | Confident | 19 Ų | 19 | 78.2 Ų | 78.2 | 10% | 0.102 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130 | 167 | -71.1 | -47.1 | 0 | 0 | 0 | 109.7 | L27 V28 F48 K65 | L27-D46 CarbonylContact C-O 3.57Å; L27-D46 WeakPolarHBondContact CA-O 3.34Å; V28-D46 PolarHBondContact N-O 3.13Å; V28-D46 PolarHBondContact O-N 3.18Å; D46-F48 HydrophobicContact CB-CD2 4.45Å; D46-F48 HydrophobicContact CB-CE2 3.71Å; D46-F48 HydrophobicContact CB-CZ 4.15Å; D46-K65 HydrophobicContact CB-CG 4.5Å; D46-K65 WeakPolarHBondContact OD1-CE 3.35Å; D46-K65 IonicContact OD1-NZ 3.51Å; D46-K65 WeakPolarHBondContact OD2-CE 3.29Å; D46-K65 IonicContact OD2-NZ 2.76Å; D46-K65 PolarHBondContact OD2-NZ 3.5Å |
| 47 | E | 95.1 | Very high | 85.1 | Confident | 15 Ų | 15 | 78 Ų | 78 | 7% | 0.07 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 130.6 | 168.9 | 179.5 | -176 | 162.1 | 0 | 0 | 109.8 | R25 Q26 L27 R49 K65 R66 L68 | R25-E47 HydrophobicContact CB-CG 4.48Å; R25-E47 WeakPolarHBondContact CD-OE1 3.39Å; R25-E47 IonicContact CZ-OE1 3.33Å; R25-E47 IonicContact NE-OE1 2.66Å; R25-E47 PolarHBondContact NE-OE1 2.91Å; R25-E47 IonicContact NH1-OE1 3.36Å; R25-E47 PolarHBondContact NH1-OE1 3.05Å; R25-E47 IonicContact NH1-OE2 3.41Å; R25-E47 PolarHBondContact NH1-OE2 2.83Å; Q26-E47 CarbonylContact O-C 3.52Å; Q26-E47 WeakPolarHBondContact O-CA 3.44Å; L27-E47 HydrophobicContact CD2-CB 3.62Å; L27-E47 HydrophobicContact CD2-CG 3.85Å; E47-R49 IonicContact OE1-NH2 3.45Å; E47-K65 CarbonylContact O-C 3.52Å; E47-K65 WeakPolarHBondContact O-CA 3.23Å; E47-R66 HydrophobicContact CB-CB 4.31Å; E47-R66 PolarHBondContact N-O 2.81Å; E47-R66 PolarHBondContact O-N 3.33Å; E47-L68 HydrophobicContact CB-CD1 4Å; E47-L68 HydrophobicContact CB-CG 4.24Å |
| 48 | F | 93.3 | Very high | 83.5 | Confident | 37 Ų | 37 | 80.6 Ų | 80.6 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.2 | 172.4 | -63.5 | -92.3 | 0 | 0 | 0 | 109.5 | Q26 V28 D46 Q63 E64 K65 | Q26-F48 HydrophobicContact CB-CB 4.21Å; Q26-F48 PolarHBondContact N-O 2.97Å; Q26-F48 PolarHBondContact O-N 3.41Å; V28-F48 HydrophobicContact CB-CD2 4.42Å; V28-F48 HydrophobicContact CB-CE2 3.94Å; V28-F48 HydrophobicContact CG2-CD2 3.85Å; V28-F48 HydrophobicContact CG2-CE2 3.7Å; D46-F48 HydrophobicContact CB-CD2 4.45Å; D46-F48 HydrophobicContact CB-CE2 3.71Å; D46-F48 HydrophobicContact CB-CZ 4.15Å; F48-Q63 HydrophobicContact CD1-CB 4.3Å; F48-E64 WeakPolarHBondContact CA-O 3.37Å; F48-K65 HydrophobicContact CD1-CB 4.41Å; F48-K65 HydrophobicContact CE1-CB 4.22Å; F48-K65 HydrophobicContact CE1-CD 4.23Å; F48-K65 HydrophobicContact CE1-CG 4.01Å; F48-K65 HydrophobicContact CZ-CD 4.31Å; F48-K65 HydrophobicContact CZ-CG 4.26Å |
| 49 | R | 90.8 | Very high | 81.8 | Confident | 106 Ų | 106 | 83.6 Ų | 83.6 | 40% | 0.4 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129 | 173.5 | -178.8 | -180 | -68.8 | -144.8 | -1.7 | 109.6 | E47 V51 Q63 E64 | E47-R49 IonicContact OE1-NH2 3.45Å; R49-V51 HydrophobicContact CG-CG2 4.42Å; R49-V51 PolarHBondContact O-N 3.07Å; R49-Q63 WeakPolarHBondContact O-CA 3.45Å; R49-E64 HydrophobicContact CB-CB 4.38Å; R49-E64 PolarHBondContact N-O 2.89Å; R49-E64 PolarHBondContact O-N 2.93Å |
| 50 | Q | 80.7 | Confident | 79.9 | Confident | 71 Ų | 71 | 91 Ų | 91 | 33% | 0.332 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 106.3 | 173.2 | -62 | -66.9 | -1.4 | 0 | 0 | 109.3 | K52 Q63 | Q50-K52 PolarHBondContact O-N 3.36Å; Q50-Q63 VanDerWaalsContact OE1-CG 3.22Å |
| 51 | V | 78.9 | Confident | 78.1 | Confident | 64 Ų | 64 | 96.4 Ų | 96.4 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | trans | -93.8 | 98.6 | 174 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | R49 N53 E64 | R49-V51 HydrophobicContact CG-CG2 4.42Å; R49-V51 PolarHBondContact O-N 3.07Å; V51-N53 PolarHBondContact O-N 2.66Å; V51-N53 VanDerWaalsContact O-N 3.13Å; V51-E64 HydrophobicContact CG2-CB 4.05Å | ||
| 52 | K | 69.2 | Low | 76.6 | Confident | 183 Ų | 183 | 103.5 Ų | 103.5 | 80% | 0.796 | 50% | 0.503 | S | S | * | . | trans | -74.2 | 101.1 | 172.5 | -69.1 | -176.7 | 179.8 | -179.9 | 0 | 109.1 | Q50 K54 | Q50-K52 PolarHBondContact O-N 3.36Å; K52-K54 PolarHBondContact O-N 3.14Å | ||
| 53 | N | 66.5 | Low | 75.6 | Confident | 121 Ų | 121 | 107.4 Ų | 107.4 | 65% | 0.647 | 52% | 0.522 | S | S | * | . | trans | -80.8 | 110.7 | 172.3 | -146.7 | 9.5 | 0 | 0 | 0 | 108.9 | V51 A55 | V51-N53 PolarHBondContact O-N 2.66Å; V51-N53 VanDerWaalsContact O-N 3.13Å; N53-A55 PolarHBondContact O-N 3.09Å | ||
| 54 | K | 67.3 | Low | 75.2 | Confident | 217 Ų | 217 | 111.4 Ų | 111.4 | 94% | 0.943 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12 | -174.9 | -74.4 | -176.5 | 177.6 | 179.6 | 0 | 114.2 | K52 | K52-K54 PolarHBondContact O-N 3.14Š|
| 55 | A | 66.9 | Low | 75 | Confident | 94 Ų | 94 | 111.7 Ų | 111.7 | 78% | 0.777 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -11 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | N53 | N53-A55 PolarHBondContact O-N 3.09Š|
| 56 | A | 60.3 | Low | 74.9 | Confident | 39 Ų | 39 | 119.1 Ų | 119.1 | 32% | 0.322 | 56% | 0.561 | S | S | . | * | trans | -116.7 | 100.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q58 D59 | A56-Q58 PolarHBondContact O-N 2.84Å; A56-D59 HydrophobicContact CB-CB 4.1Å | ||
| 57 | K | 63.9 | Low | 74.9 | Confident | 224 Ų | 224 | 121.9 Ų | 121.9 | 97% | 0.974 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -65.7 | 1 | 175.5 | -130 | 177.8 | -174.8 | -178.4 | 0 | 113.5 | ||
| 58 | Q | 60.2 | Low | 74.9 | Confident | 186 Ų | 186 | 124.3 Ų | 124.3 | 87% | 0.869 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -134.3 | -13.8 | -169 | -118.7 | 177 | 9.6 | 0 | 0 | 115.6 | A56 K60 | A56-Q58 PolarHBondContact O-N 2.84Å; Q58-K60 PolarHBondContact O-N 3.45Å |
| 59 | D | 56.4 | Low | 75 | Confident | 130 Ų | 130 | 123.9 Ų | 123.9 | 70% | 0.695 | 61% | 0.605 | S | S | * | * | trans | -88.1 | 93.3 | 173.5 | -87.9 | -27.3 | 0 | 0 | 0 | 109.2 | A56 D61 | A56-D59 HydrophobicContact CB-CB 4.1Å; D59-D61 PolarHBondContact O-N 2.74Å; D59-D61 VanDerWaalsContact O-N 3.11Å | ||
| 60 | K | 55.2 | Low | 75.3 | Confident | 197 Ų | 197 | 125 Ų | 125 | 86% | 0.857 | 62% | 0.618 | S | S | * | * | trans | -46.4 | 116.1 | 167.7 | -76.2 | 179.5 | 174.4 | -179.8 | 0 | 109.4 | Q58 R62 | Q58-K60 PolarHBondContact O-N 3.45Å; K60-R62 PolarHBondContact O-N 2.8Å; K60-R62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | D | 57.6 | Low | 76 | Confident | 112 Ų | 112 | 122.7 Ų | 122.7 | 60% | 0.599 | 61% | 0.609 | S | S | * | * | trans | 30.2 | 70.9 | 156.9 | -56.5 | -43.3 | 0 | 0 | 0 | 114.8 | D59 Q63 | D59-D61 PolarHBondContact O-N 2.74Å; D59-D61 VanDerWaalsContact O-N 3.11Å; D61-Q63 VanDerWaalsContact C-N 3.28Å; D61-Q63 PolarHBondContact O-N 3.09Å | ||
| 62 | R | 65.4 | Low | 76.9 | Confident | 208 Ų | 208 | 126 Ų | 126 | 79% | 0.785 | 62% | 0.624 | S | S | * | * | trans | -66.2 | 95.4 | 169.9 | -170.8 | 173.8 | 178.5 | 171.6 | -0.6 | 108.1 | K60 E64 | K60-R62 PolarHBondContact O-N 2.8Å; K60-R62 VanDerWaalsContact O-N 3.12Å; R62-E64 PolarHBondContact O-N 3.09Å | ||
| 63 | Q | 76.8 | Confident | 78.1 | Confident | 82 Ų | 82 | 117.9 Ų | 117.9 | 38% | 0.383 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 119.3 | 172.2 | -74.8 | 174.4 | 26.3 | 0 | 0 | 108.4 | F48 R49 Q50 D61 | F48-Q63 HydrophobicContact CD1-CB 4.3Å; R49-Q63 WeakPolarHBondContact O-CA 3.45Å; Q50-Q63 VanDerWaalsContact OE1-CG 3.22Å; D61-Q63 VanDerWaalsContact C-N 3.28Å; D61-Q63 PolarHBondContact O-N 3.09Å |
| 64 | E | 86.6 | Confident | 79.5 | Confident | 114 Ų | 114 | 119.4 Ų | 119.4 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 119.8 | 170 | -175.7 | 179.4 | -175 | 0 | 0 | 108 | F48 R49 V51 R62 | F48-E64 WeakPolarHBondContact CA-O 3.37Å; R49-E64 HydrophobicContact CB-CB 4.38Å; R49-E64 PolarHBondContact N-O 2.89Å; R49-E64 PolarHBondContact O-N 2.93Å; V51-E64 HydrophobicContact CG2-CB 4.05Å; R62-E64 PolarHBondContact O-N 3.09Å |
| 65 | K | 91.6 | Very high | 80.9 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 54% | 0.543 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.8 | 179.1 | -176 | -175.4 | -179.7 | -179.6 | 0 | 110.1 | D46 E47 F48 | D46-K65 HydrophobicContact CB-CG 4.5Å; D46-K65 WeakPolarHBondContact OD1-CE 3.35Å; D46-K65 IonicContact OD1-NZ 3.51Å; D46-K65 WeakPolarHBondContact OD2-CE 3.29Å; D46-K65 IonicContact OD2-NZ 2.76Å; D46-K65 PolarHBondContact OD2-NZ 3.5Å; E47-K65 CarbonylContact O-C 3.52Å; E47-K65 WeakPolarHBondContact O-CA 3.23Å; F48-K65 HydrophobicContact CD1-CB 4.41Å; F48-K65 HydrophobicContact CE1-CB 4.22Å; F48-K65 HydrophobicContact CE1-CD 4.23Å; F48-K65 HydrophobicContact CE1-CG 4.01Å; F48-K65 HydrophobicContact CZ-CD 4.31Å; F48-K65 HydrophobicContact CZ-CG 4.26Å |
| 66 | R | 94.7 | Very high | 82.3 | Confident | 158 Ų | 158 | 109.4 Ų | 109.4 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.7 | 172.3 | 178.7 | -179.7 | -178.5 | 167.5 | 1 | 110.2 | E47 L68 | E47-R66 HydrophobicContact CB-CB 4.31Å; E47-R66 PolarHBondContact N-O 2.81Å; E47-R66 PolarHBondContact O-N 3.33Å; R66-L68 HydrophobicContact CG-CD2 4.31Å |
| 67 | A | 95.6 | Very high | 84 | Confident | 77 Ų | 77 | 111 Ų | 111 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 131.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 68 | L | 95.4 | Very high | 85.4 | Confident | 66 Ų | 66 | 101.6 Ų | 101.6 | 35% | 0.346 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -37.5 | 176.5 | -60.4 | 178.9 | 0 | 0 | 0 | 111.9 | L27 C45 E47 R66 V71 | L27-L68 HydrophobicContact CD2-CD1 3.82Å; C45-L68 HydrophobicContact CB-CB 4.13Å; C45-L68 PolarHBondContact O-N 2.85Å; E47-L68 HydrophobicContact CB-CD1 4Å; E47-L68 HydrophobicContact CB-CG 4.24Å; R66-L68 HydrophobicContact CG-CD2 4.31Å; L68-V71 HydrophobicContact CB-CG2 3.57Å; L68-V71 HydrophobicContact CD1-CG2 3.83Å; L68-V71 HydrophobicContact CG-CG2 4.37Å |
| 69 | G | 95.5 | Very high | 87.1 | Confident | 27 Ų | 27 | 96.9 Ų | 96.9 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.2 | -122.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D44 C45 | D44-G69 PolarHBondContact N-O 2.75Å; C45-G69 VanDerWaalsContact CB-O 3.31Å; C45-G69 WeakPolarHBondContact CB-O 3.47Å; C45-G69 PolarHBondContact N-O 2.83Å; C45-G69 PolarHBondContact O-N 3.07Å; C45-G69 VanDerWaalsContact O-N 3.16Å; C45-G69 PolarHBondContact SG-O 3.4Å |
| 70 | L | 96.1 | Very high | 88.9 | Confident | 129 Ų | 129 | 93.7 Ų | 93.7 | 68% | 0.675 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.9 | 177.3 | -179 | 67.3 | 0 | 0 | 0 | 110.8 | I41 C43 | I41-L70 HydrophobicContact CG2-CD1 3.89Å; C43-L70 VanDerWaalsContact SG-CD1 3.57Å |
| 71 | V | 96.6 | Very high | 90.7 | Very high | 24 Ų | 24 | 86.5 Ų | 86.5 | 15% | 0.145 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.4 | -177.9 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | I41 L42 C45 L68 | I41-V71 WeakPolarHBondContact CA-O 3.26Å; L42-V71 PolarHBondContact N-O 2.87Å; L42-V71 PolarHBondContact O-N 2.79Å; C45-V71 HydrophobicContact CB-CB 4.38Å; C45-V71 HydrophobicContact CB-CG2 3.71Å; L68-V71 HydrophobicContact CB-CG2 3.57Å; L68-V71 HydrophobicContact CD1-CG2 3.83Å; L68-V71 HydrophobicContact CG-CG2 4.37Å |
| 72 | L | 96.3 | Very high | 92.5 | Very high | 133 Ų | 133 | 85.9 Ų | 85.9 | 70% | 0.696 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 112.8 | 161.7 | 179.2 | 74.9 | 0 | 0 | 0 | 108.2 | I41 | I41-L72 HydrophobicContact CD1-CD1 4.3Å; I41-L72 HydrophobicContact CG1-CD1 3.64Å |
| 73 | L | 95.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 79.4 Ų | 79.4 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132 | 179.3 | -168.7 | 84.1 | 0 | 0 | 0 | 110 | M21 L27 N39 I40 V78 | M21-L73 HydrophobicContact CE-CD1 3.71Å; M21-L73 HydrophobicContact SD-CD1 3.91Å; L27-L73 HydrophobicContact CD1-CD1 3.73Å; N39-L73 CarbonylContact C-O 3.55Å; N39-L73 VanDerWaalsContact CA-O 3.24Å; N39-L73 WeakPolarHBondContact CA-O 3.5Å; I40-L73 PolarHBondContact N-O 3.18Å; I40-L73 PolarHBondContact O-N 2.99Å; L73-V78 HydrophobicContact CD2-CG2 3.28Å; L73-V78 HydrophobicContact CG-CG2 4.3Å |
| 74 | R | 95.8 | Very high | 94.7 | Very high | 153 Ų | 153 | 78.9 Ų | 78.9 | 58% | 0.577 | 41% | 0.409 | S | S | * | . | trans | -74.2 | 132.3 | 172.5 | -163.7 | 167.7 | 178.6 | -163.9 | 11.9 | 110.5 | N39 E76 H77 | N39-R74 WeakPolarHBondContact OD1-CA 3.4Å; R74-E76 HydrophobicContact CB-CG 4.38Å; R74-E76 WeakPolarHBondContact CD-OE1 3.23Å; R74-E76 HydrophobicContact CG-CG 3.94Å; R74-E76 IonicContact CZ-OE1 3.28Å; R74-E76 VanDerWaalsContact CZ-OE1 3.28Å; R74-E76 IonicContact CZ-OE2 3.5Å; R74-E76 IonicContact NE-OE1 3.35Å; R74-E76 PolarHBondContact NE-OE1 3.29Å; R74-E76 IonicContact NE-OE2 3.68Å; R74-E76 IonicContact NH1-OE1 2.75Å; R74-E76 PolarHBondContact NH1-OE1 3.24Å; R74-E76 IonicContact NH1-OE2 3.53Å; R74-E76 IonicContact NH2-OE2 3.99Å; R74-E76 PolarHBondContact O-N 2.94Å; R74-E76 VanDerWaalsContact O-N 3.17Å; R74-H77 PolarHBondContact O-N 3.04Å; R74-H77 VanDerWaalsContact O-N 3.12Å | ||
| 75 | G | 95.4 | Very high | 95.1 | Very high | 10 Ų | 10 | 74.2 Ų | 74.2 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -65.3 | -21.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H37 M38 N39 H77 V78 | H37-G75 WeakPolarHBondContact O-CA 3.34Å; M38-G75 WeakPolarHBondContact O-CA 3.36Å; M38-G75 PolarHBondContact O-N 3.29Å; N39-G75 PolarHBondContact OD1-N 3.36Å; G75-H77 PolarHBondContact O-N 3.45Å; G75-V78 PolarHBondContact O-N 2.83Å; G75-V78 VanDerWaalsContact O-N 3.15Å |
| 76 | E | 96.1 | Very high | 95.2 | Very high | 91 Ų | 91 | 73.1 Ų | 73.1 | 43% | 0.425 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -60.2 | -27 | 174.5 | 73.5 | -170.4 | 170.9 | 0 | 0 | 112.9 | Q22 R74 | Q22-E76 PolarHBondContact NE2-O 2.91Å; Q22-E76 PolarHBondContact OE1-O 2.89Å; R74-E76 HydrophobicContact CB-CG 4.38Å; R74-E76 WeakPolarHBondContact CD-OE1 3.23Å; R74-E76 HydrophobicContact CG-CG 3.94Å; R74-E76 IonicContact CZ-OE1 3.28Å; R74-E76 VanDerWaalsContact CZ-OE1 3.28Å; R74-E76 IonicContact CZ-OE2 3.5Å; R74-E76 IonicContact NE-OE1 3.35Å; R74-E76 PolarHBondContact NE-OE1 3.29Å; R74-E76 IonicContact NE-OE2 3.68Å; R74-E76 IonicContact NH1-OE1 2.75Å; R74-E76 PolarHBondContact NH1-OE1 3.24Å; R74-E76 IonicContact NH1-OE2 3.53Å; R74-E76 IonicContact NH2-OE2 3.99Å; R74-E76 PolarHBondContact O-N 2.94Å; R74-E76 VanDerWaalsContact O-N 3.17Å |
| 77 | H | 96 | Very high | 95.1 | Very high | 73 Ų | 73 | 68 Ų | 68 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -92.2 | -5.7 | -179.3 | -61.1 | -50 | 0 | 0 | 0 | 113.8 | M21 Q22 R74 G75 | M21-H77 CarbonylContact C-O 3.52Å; M21-H77 VanDerWaalsContact CA-O 3.27Å; M21-H77 WeakPolarHBondContact CA-O 3.04Å; M21-H77 HydrophobicContact CE-CB 3.99Å; Q22-H77 PolarHBondContact N-O 3.42Å; Q22-H77 PolarHBondContact OE1-ND1 3.13Å; R74-H77 PolarHBondContact O-N 3.04Å; R74-H77 VanDerWaalsContact O-N 3.12Å; G75-H77 PolarHBondContact O-N 3.45Å |
| 78 | V | 95.1 | Very high | 94.8 | Very high | 27 Ų | 27 | 67.1 Ų | 67.1 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123.5 | -179.2 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | I40 L73 G75 M81 | I40-V78 HydrophobicContact CD1-CG1 4.21Å; I40-V78 HydrophobicContact CD1-CG2 3.68Å; L73-V78 HydrophobicContact CD2-CG2 3.28Å; L73-V78 HydrophobicContact CG-CG2 4.3Å; G75-V78 PolarHBondContact O-N 2.83Å; G75-V78 VanDerWaalsContact O-N 3.15Å; V78-M81 HydrophobicContact CG1-CG 3.86Å; V78-M81 HydrophobicContact CG1-SD 4.38Å |
| 79 | V | 94.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 69.7 Ų | 69.7 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -52.4 | 174 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | T20 Q22 | T20-V79 PolarHBondContact O-N 3.02Å; Q22-V79 HydrophobicContact CB-CG2 4.23Å; Q22-V79 HydrophobicContact CG-CG2 3.65Å |
| 80 | T | 93.7 | Very high | 93.1 | Very high | 63 Ų | 63 | 74.9 Ų | 74.9 | 39% | 0.387 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 157.1 | -179.3 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | C19 T20 | C19-T80 WeakPolarHBondContact CA-O 3.41Å; T20-T80 WeakPolarHBondContact CB-OG1 3.24Å; T20-T80 PolarHBondContact N-O 3.34Å; T20-T80 PolarHBondContact O-N 3.34Å; T20-T80 PolarHBondContact OG1-OG1 2.79Å |
| 81 | M | 93.1 | Very high | 91.2 | Very high | 47 Ų | 47 | 76.2 Ų | 76.2 | 23% | 0.232 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 126.1 | 174.7 | -61.9 | -173.7 | -61.1 | 0 | 0 | 109.4 | I9 I17 R18 M38 I40 V78 | I9-M81 HydrophobicContact CD1-CE 3.31Å; I9-M81 HydrophobicContact CD1-SD 4.43Å; I9-M81 HydrophobicContact CG1-CE 4.24Å; I17-M81 HydrophobicContact CG2-CB 3.85Å; I17-M81 HydrophobicContact CG2-CG 4.45Å; R18-M81 WeakPolarHBondContact O-CA 2.95Å; M38-M81 HydrophobicContact CE-CE 3.29Å; M38-M81 HydrophobicContact CE-SD 4.25Å; I40-M81 HydrophobicContact CD1-CE 4.43Å; I40-M81 HydrophobicContact CD1-CG 4.41Å; I40-M81 HydrophobicContact CD1-SD 3.26Å; I40-M81 WeakPolarHBondContact CD1-SD 3.41Å; I40-M81 HydrophobicContact CG1-SD 4.23Å; V78-M81 HydrophobicContact CG1-CG 3.86Å; V78-M81 HydrophobicContact CG1-SD 4.38Å |
| 82 | N | 94.9 | Very high | 89.1 | Confident | 99 Ų | 99 | 79 Ų | 79 | 53% | 0.529 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144.3 | 178.7 | -65.2 | -33.5 | 0 | 0 | 0 | 110 | I17 R18 D84 | I17-N82 CarbonylContact C-O 3.58Å; I17-N82 WeakPolarHBondContact CA-O 3.39Å; I17-N82 WeakPolarHBondContact CG2-O 3.16Å; R18-N82 PolarHBondContact N-O 3.23Å; R18-N82 PolarHBondContact O-N 2.92Å; N82-D84 PolarHBondContact O-N 2.72Å |
| 83 | V | 95.2 | Very high | 86.6 | Confident | 72 Ų | 72 | 76.3 Ų | 76.3 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 121.5 | 173.7 | -175.5 | 0 | 0 | 0 | 0 | 109 | H12 Y15 | H12-V83 WeakPolarHBondContact CD2-CG2 3.33Å; Y15-V83 HydrophobicContact CD1-CG1 3.7Å; Y15-V83 HydrophobicContact CG-CG1 4.38Å |
| 84 | D | 94 | Very high | 84.5 | Confident | 70 Ų | 70 | 86.6 Ų | 86.6 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -32.9 | 179.6 | -164 | 73.7 | 0 | 0 | 0 | 111.3 | R16 R18 V28 N82 | R16-D84 PolarHBondContact O-N 3.11Å; R18-D84 HydrophobicContact CB-CB 4.2Å; R18-D84 IonicContact CZ-OD1 3.36Å; R18-D84 IonicContact NE-OD1 3.09Å; R18-D84 PolarHBondContact NE-OD1 3.47Å; R18-D84 VanDerWaalsContact NE-OD1 3.09Å; R18-D84 IonicContact NH2-OD1 2.74Å; R18-D84 PolarHBondContact NH2-OD1 3.19Å; R18-D84 IonicContact NH2-OD2 3.94Å; V28-D84 HydrophobicContact CG1-CB 4.38Å; N82-D84 PolarHBondContact O-N 2.72Å |
| 85 | G | 94.2 | Very high | 82.6 | Confident | 17 Ų | 17 | 84.6 Ų | 84.6 | 18% | 0.175 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 169.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R16 | R16-G85 PolarHBondContact N-O 3.22Å; R16-G85 VanDerWaalsContact N-O 3.09Å; R16-G85 PolarHBondContact O-N 2.88Å; R16-G85 VanDerWaalsContact O-N 3.14Å |
| 86 | P | 94.7 | Very high | 80.6 | Confident | 102 Ų | 102 | 89.4 Ų | 89.4 | 66% | 0.662 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 163.6 | 178.5 | 29.9 | -35.9 | 0 | 0 | 0 | 111.3 | P88 | P86-P88 WeakPolarHBondContact O-CD 3.45Š|
| 87 | P | 93 | Very high | 78.7 | Confident | 51 Ų | 51 | 91.5 Ų | 91.5 | 33% | 0.331 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 127 | 171.8 | -24.7 | 35.6 | 0 | 0 | 0 | 111.1 | N14 Y15 | N14-P87 HydrophobicContact CB-CB 4.13Å; N14-P87 HydrophobicContact CB-CG 4.41Å; N14-P87 WeakPolarHBondContact O-CA 3.2Å; N14-P87 VanDerWaalsContact O-CB 3.26Å; N14-P87 WeakPolarHBondContact O-CB 3.37Å; Y15-P87 HydrophobicContact CD1-CG 4.27Å; Y15-P87 HydrophobicContact CD2-CG 3.74Å; Y15-P87 HydrophobicContact CE1-CG 4.31Å; Y15-P87 HydrophobicContact CE2-CG 3.78Å; Y15-P87 HydrophobicContact CG-CG 3.99Å |
| 88 | P | 89.2 | Confident | 76.5 | Confident | 57 Ų | 57 | 93.2 Ų | 93.2 | 37% | 0.37 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 143.6 | 169.1 | -22.3 | 33.5 | 0 | 0 | 0 | 109.6 | T30 P86 E90 | T30-P88 HydrophobicContact CG2-CG 4.41Å; P86-P88 WeakPolarHBondContact O-CD 3.45Å; P88-E90 PolarHBondContact O-N 2.96Å; P88-E90 VanDerWaalsContact O-N 3.08Å |
| 89 | P | 84.1 | Confident | 74.1 | Confident | 120 Ų | 120 | 94.7 Ų | 94.7 | 78% | 0.779 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 122 | 169.6 | 25.9 | -32.3 | 0 | 0 | 0 | 107.2 | D91 | P89-D91 PolarHBondContact O-N 2.9Š|
| 90 | E | 71.7 | Confident | 71.7 | Confident | 136 Ų | 136 | 95.5 Ų | 95.5 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -64 | 123.2 | -176.4 | -48 | -170.9 | -144.2 | 0 | 0 | 108.1 | P88 A92 | P88-E90 PolarHBondContact O-N 2.96Å; P88-E90 VanDerWaalsContact O-N 3.08Å; E90-A92 PolarHBondContact O-N 3.5Å |
| 91 | D | 56.3 | Low | 69.3 | Low | 157 Ų | 157 | 96.3 Ų | 96.3 | 84% | 0.84 | 59% | 0.589 | S | S | * | * | trans | -68.5 | 71.7 | 160.6 | -76.6 | -40.2 | 0 | 0 | 0 | 107.7 | P89 A93 | P89-D91 PolarHBondContact O-N 2.9Å; D91-A93 PolarHBondContact O-N 2.93Å | ||
| 92 | A | 50.8 | Low | 67.1 | Low | 84 Ų | 84 | 97.2 Ų | 97.2 | 69% | 0.694 | 61% | 0.605 | S | S | * | * | trans | -66.7 | 14.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E90 R94 | E90-A92 PolarHBondContact O-N 3.5Å; A92-R94 PolarHBondContact O-N 2.9Å | ||
| 93 | A | 45.6 | Very low | 64.4 | Low | 75 Ų | 75 | 102.9 Ų | 102.9 | 62% | 0.62 | 62% | 0.619 | S | S | * | * | trans | -65.1 | 71.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | D91 V95 | D91-A93 PolarHBondContact O-N 2.93Å; A93-V95 VanDerWaalsContact C-N 3.3Å; A93-V95 PolarHBondContact O-N 2.97Å | ||
| 94 | R | 50.4 | Low | 62 | Low | 229 Ų | 229 | 104.2 Ų | 104.2 | 86% | 0.864 | 63% | 0.631 | S | S | * | * | trans | -40.8 | 112.7 | 141.5 | -75.7 | -177.7 | 176.6 | 133.1 | -0.2 | 104 | A92 P96 | A92-R94 PolarHBondContact O-N 2.9Å; R94-P96 WeakPolarHBondContact O-CD 3.38Å | ||
| 95 | V | 56.9 | Low | 59.6 | Low | 110 Ų | 110 | 107.1 Ų | 107.1 | 67% | 0.667 | 65% | 0.651 | S | S | * | * | trans | -39.7 | 112.8 | 167.5 | 179.5 | 0 | 0 | 0 | 0 | 104.3 | A93 L97 | A93-V95 VanDerWaalsContact C-N 3.3Å; A93-V95 PolarHBondContact O-N 2.97Å; V95-L97 PolarHBondContact O-N 3.39Å | ||
| 96 | P | 52 | Low | 57.1 | Low | 112 Ų | 112 | 110.2 Ų | 110.2 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -61.8 | 104 | 172.9 | -3.5 | 14.3 | 0 | 0 | 0 | 101.8 | R94 P98 | R94-P96 WeakPolarHBondContact O-CD 3.38Å; P96-P98 WeakPolarHBondContact O-CD 3.27Å | ||
| 97 | L | 56.3 | Low | 54.8 | Low | 135 Ų | 135 | 111.7 Ų | 111.7 | 71% | 0.707 | 69% | 0.69 | S | S | * | * | trans | -53 | 107.9 | 178.6 | -138 | 79 | 0 | 0 | 0 | 104.2 | V95 T99 | V95-L97 PolarHBondContact O-N 3.39Å; L97-T99 PolarHBondContact O-N 3.49Å | ||
| 98 | P | 50.6 | Low | 52.7 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -70.5 | 111.8 | 171.2 | 28.2 | -22.6 | 0 | 0 | 0 | 101.9 | P96 | P96-P98 WeakPolarHBondContact O-CD 3.27Š|
| 99 | T | 44.2 | Very low | 51.1 | Low | 58 Ų | 58 | 121.6 Ų | 121.6 | 36% | 0.356 | 74% | 0.735 | S | S | . | * | trans | 98.5 | 75.8 | 179.1 | -43.6 | 0 | 0 | 0 | 0 | 115.3 | L97 A102 W103 | L97-T99 PolarHBondContact O-N 3.49Å; T99-A102 HydrophobicContact CG2-CB 3.94Å; T99-W103 HydrophobicContact CG2-CB 4.18Å; T99-W103 HydrophobicContact CG2-CE3 4.27Å | ||
| 100 | A | 44.9 | Very low | 49.6 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | S | Bend | -109.2 | 20.1 | 128.3 | 0 | 0 | 0 | 0 | 0 | 111 | |||
| 101 | G | 42.9 | Very low | 48.6 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -142.3 | 11.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 102 | A | 47.2 | Very low | 48.4 | Very low | 67 Ų | 67 | 118.3 Ų | 118.3 | 55% | 0.554 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -130.6 | -6.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T99 | T99-A102 HydrophobicContact CG2-CB 3.94Š|
| 103 | W | 39.1 | Very low | 48.6 | Very low | 218 Ų | 218 | 120.1 Ų | 120.1 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -157.1 | 106.5 | 165.9 | -83.9 | -73 | 0 | 0 | 0 | 103.2 | T99 | T99-W103 HydrophobicContact CG2-CB 4.18Å; T99-W103 HydrophobicContact CG2-CE3 4.27Å |
| 104 | S | 44.2 | Very low | 48.9 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | S | Bend | -165.4 | 138.4 | 55.2 | 42.2 | 0 | 0 | 0 | 0 | 108 | |||
| 105 | T | 44.4 | Very low | 48.8 | Very low | 130 Ų | 130 | 116.6 Ų | 116.6 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | trans | 51 | 83.7 | 154.4 | 58.9 | 0 | 0 | 0 | 0 | 117.1 | V107 | T105-V107 PolarHBondContact O-N 3.15Š| ||
| 106 | G | 40.8 | Very low | 48.3 | Very low | 82 Ų | 82 | 114.1 Ų | 114.1 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | trans | 49.3 | 63.5 | 132.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 107 | V | 47.1 | Very low | 48 | Very low | 133 Ų | 133 | 121 Ų | 121 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | -142.2 | 103.9 | 150.3 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | T105 | T105-V107 PolarHBondContact O-N 3.15Š| ||
| 108 | K | 48.8 | Very low | 47.5 | Very low | 193 Ų | 193 | 117.9 Ų | 117.9 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -67.5 | 128.5 | 167.1 | -68.1 | 177.4 | 175.9 | -179.3 | 0 | 107.2 | L110 | K108-L110 PolarHBondContact O-N 3.12Š| ||
| 109 | P | 54.8 | Low | 47.4 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | trans | -64.9 | 117 | 169.8 | 26 | -28 | 0 | 0 | 0 | 107.1 | T111 | P109-T111 PolarHBondContact O-N 3.21Š| ||
| 110 | L | 52.3 | Low | 47.5 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -63.2 | 101.7 | 179.7 | -154.5 | 83.7 | 0 | 0 | 0 | 108.3 | K108 G112 | K108-L110 PolarHBondContact O-N 3.12Å; L110-G112 PolarHBondContact O-N 3.17Å | ||
| 111 | T | 52.3 | Low | 47.2 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | 34.4 | 86 | 125.9 | -44.5 | 0 | 0 | 0 | 0 | 115.8 | P109 I113 | P109-T111 PolarHBondContact O-N 3.21Å; T111-I113 HydrophobicContact CG2-CB 3.91Å; T111-I113 HydrophobicContact CG2-CD1 3.23Å; T111-I113 HydrophobicContact CG2-CG1 3.28Å; T111-I113 PolarHBondContact O-N 2.94Å | |||
| 112 | G | 52.1 | Low | 47.4 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | -79.7 | 71.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L110 A114 | L110-G112 PolarHBondContact O-N 3.17Å; G112-A114 PolarHBondContact O-N 2.79Å | ||
| 113 | I | 53.8 | Low | 47.3 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | trans | -77.3 | 115.2 | 166.5 | -76.6 | 166.4 | 0 | 0 | 0 | 106.9 | T111 V115 | T111-I113 HydrophobicContact CG2-CB 3.91Å; T111-I113 HydrophobicContact CG2-CD1 3.23Å; T111-I113 HydrophobicContact CG2-CG1 3.28Å; T111-I113 PolarHBondContact O-N 2.94Å; I113-V115 VanDerWaalsContact C-N 3.34Å; I113-V115 HydrophobicContact CG2-CG2 3.72Å; I113-V115 PolarHBondContact O-N 3.26Å | ||
| 114 | A | 52.8 | Low | 47.3 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -66.3 | 95 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | G112 G116 | G112-A114 PolarHBondContact O-N 2.79Å; A114-G116 VanDerWaalsContact C-N 3.34Å; A114-G116 PolarHBondContact O-N 3.33Å; A114-G116 VanDerWaalsContact O-N 3.09Å | ||
| 115 | V | 47.3 | Very low | 47.2 | Very low | 130 Ų | 130 | 127 Ų | 127 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -77.9 | 92 | 168.1 | 180 | 0 | 0 | 0 | 0 | 107.1 | I113 | I113-V115 VanDerWaalsContact C-N 3.34Å; I113-V115 HydrophobicContact CG2-CG2 3.72Å; I113-V115 PolarHBondContact O-N 3.26Å | ||
| 116 | G | 46.6 | Very low | 47.2 | Very low | 58 Ų | 58 | 125.8 Ų | 125.8 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | trans | -62.3 | 137.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A114 G118 | A114-G116 VanDerWaalsContact C-N 3.34Å; A114-G116 PolarHBondContact O-N 3.33Å; A114-G116 VanDerWaalsContact O-N 3.09Å; G116-G118 PolarHBondContact O-N 2.87Å | ||
| 117 | R | 45.2 | Very low | 47.3 | Very low | 257 Ų | 257 | 126.7 Ų | 126.7 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -46.6 | 121.2 | 174.1 | -81.2 | 171.2 | 153.1 | 122.8 | -7.4 | 111.3 | ||
| 118 | G | 45.9 | Very low | 47.3 | Very low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 105.5 | 97.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114 | G116 | G116-G118 PolarHBondContact O-N 2.87Š| ||
| 119 | M | 48.2 | Very low | 47.2 | Very low | 193 Ų | 193 | 123.6 Ų | 123.6 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | -175.6 | 154.1 | 123.7 | -99.6 | -163.8 | -172.3 | 0 | 0 | 111.5 | |||||
| 120 | P | 46 | Very low | 46.9 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -86.4 | 158.1 | -154.1 | 34.1 | -35.5 | 0 | 0 | 0 | 114.8 | ||||
| 121 | L | 39.7 | Very low | 47 | Very low | 170 Ų | 170 | 120.7 Ų | 120.7 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -56.3 | 120.5 | 172.4 | -169.5 | 75.6 | 0 | 0 | 0 | 111.8 | ||||
| 122 | A | 47.2 | Very low | 47.4 | Very low | 98 Ų | 98 | 122 Ų | 122 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -124.7 | 120.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 123 | T | 44.7 | Very low | 47.6 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | -75.7 | 149.2 | -178 | 40.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 124 | P | 39.8 | Very low | 47.8 | Very low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -89.9 | 122.6 | -173.4 | 34.1 | -29.5 | 0 | 0 | 0 | 111.2 | ||||
| 125 | A | 42.5 | Very low | 48.2 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -153.3 | 128.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 126 | A | 43.1 | Very low | 48.8 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | 67.2 | 95.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 127 | A | 44.3 | Very low | 49.2 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -164.1 | 99.4 | 139.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 128 | I | 45.3 | Very low | 50.2 | Low | 174 Ų | 174 | 115.9 Ų | 115.9 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | trans | 7.1 | 132.9 | 143.2 | -58.2 | 161 | 0 | 0 | 0 | 117.7 | ||||
| 129 | A | 47 | Very low | 51.1 | Low | 88 Ų | 88 | 119.2 Ų | 119.2 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -57.1 | 163.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 130 | P | 48.5 | Very low | 51.5 | Low | 129 Ų | 129 | 115.6 Ų | 115.6 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | -146.9 | 163.9 | 89.7 | 33.2 | -12.9 | 0 | 0 | 0 | 115.7 | |||||
| 131 | A | 54.4 | Low | 51.6 | Low | 98 Ų | 98 | 122.4 Ų | 122.4 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 151.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 132 | P | 61.3 | Low | 52.8 | Low | 120 Ų | 120 | 117.9 Ų | 117.9 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 163.6 | 158.6 | 16.2 | 3.9 | 0 | 0 | 0 | 113 | ||
| 133 | P | 56.5 | Low | 53.3 | Low | 124 Ų | 124 | 119.6 Ų | 119.6 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 160.6 | -139.1 | 35.8 | -33.4 | 0 | 0 | 0 | 116.1 | ||
| 134 | A | 58.6 | Low | 54 | Low | 106 Ų | 106 | 117.2 Ų | 117.2 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 140.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 135 | G | 60.5 | Low | 54.9 | Low | 71 Ų | 71 | 115.5 Ų | 115.5 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 169.4 | -10.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | G137 | G135-G137 PolarHBondContact O-N 3.35Š| ||
| 136 | L | 60.4 | Low | 55.8 | Low | 187 Ų | 187 | 114.9 Ų | 114.9 | 98% | 0.979 | 80% | 0.8 | S | S | * | * | trans | -100.8 | 63.5 | -179.7 | -94.5 | 77.7 | 0 | 0 | 0 | 112.6 | ||||
| 137 | G | 53.4 | Low | 56.7 | Low | 78 Ų | 78 | 112.8 Ų | 112.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -92.4 | 104.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | G135 | G135-G137 PolarHBondContact O-N 3.35Š| ||
| 138 | G | 67.3 | Low | 57.5 | Low | 60 Ų | 60 | 113.3 Ų | 113.3 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -76 | 159.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V140 | G138-V140 PolarHBondContact O-N 2.75Š|
| 139 | P | 64.8 | Low | 58.7 | Low | 138 Ų | 138 | 107.7 Ų | 107.7 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 128.1 | -175.4 | 23.3 | -32.2 | 0 | 0 | 0 | 112.3 | ||
| 140 | V | 55.4 | Low | 59.7 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 126.5 | 173.8 | 172.3 | 0 | 0 | 0 | 0 | 109.5 | G138 G142 | G138-V140 PolarHBondContact O-N 2.75Å; V140-G142 PolarHBondContact O-N 3.09Å |
| 141 | W | 49.5 | Very low | 60.7 | Low | 259 Ų | 259 | 111.4 Ų | 111.4 | 98% | 0.981 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 121.8 | 172 | -145 | 73.6 | 0 | 0 | 0 | 109.1 | ||
| 142 | G | 63.7 | Low | 61.5 | Low | 74 Ų | 74 | 113.6 Ų | 113.6 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.1 | -4.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | V140 | V140-G142 PolarHBondContact O-N 3.09Š|
| 143 | V | 57.8 | Low | 61.7 | Low | 135 Ų | 135 | 114.1 Ų | 114.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -107.4 | 106.3 | 175.4 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 144 | G | 60 | Low | 61.8 | Low | 73 Ų | 73 | 119 Ų | 119 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | 140 | 5.7 | 173 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 145 | A | 59.3 | Low | 61.5 | Low | 94 Ų | 94 | 118.2 Ų | 118.2 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 127.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 146 | P | 60.4 | Low | 61.3 | Low | 84 Ų | 84 | 122 Ų | 122 | 55% | 0.545 | 76% | 0.755 | S | S | . | * | P | Polyproline II helix | trans | -64 | 143.4 | 176.6 | 24.5 | -31.3 | 0 | 0 | 0 | 110.8 | ||
| 147 | A | 61.5 | Low | 61 | Low | 61 Ų | 61 | 119.3 Ų | 119.3 | 50% | 0.504 | 75% | 0.748 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 141 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G149 L150 | A147-G149 PolarHBondContact O-N 2.8Å; A147-L150 HydrophobicContact CB-CD1 4.45Å; A147-L150 PolarHBondContact O-N 3.16Å |
| 148 | P | 63.1 | Low | 61.7 | Low | 110 Ų | 110 | 119.3 Ų | 119.3 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -54.9 | -21.5 | -176.1 | -27.5 | 34 | 0 | 0 | 0 | 115.5 | L150 M151 | P148-L150 VanDerWaalsContact C-N 3.26Å; P148-L150 PolarHBondContact O-N 3.19Å; P148-M151 PolarHBondContact O-N 3.03Å |
| 149 | G | 68.5 | Low | 61.5 | Low | 57 Ų | 57 | 124.5 Ų | 124.5 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -66.2 | -22.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A147 | A147-G149 PolarHBondContact O-N 2.8Š|
| 150 | L | 68.9 | Low | 61.9 | Low | 143 Ų | 143 | 123.1 Ų | 123.1 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -83 | -11.2 | 179.6 | -82.9 | 124.8 | 0 | 0 | 0 | 114.1 | A147 P148 | A147-L150 HydrophobicContact CB-CD1 4.45Å; A147-L150 PolarHBondContact O-N 3.16Å; P148-L150 VanDerWaalsContact C-N 3.26Å; P148-L150 PolarHBondContact O-N 3.19Å |
| 151 | M | 69.1 | Low | 62.9 | Low | 152 Ų | 152 | 123 Ų | 123 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -91.5 | 1.6 | -179.5 | -70.3 | -160.7 | 176.7 | 0 | 0 | 114.3 | P148 | P148-M151 PolarHBondContact O-N 3.03Š|
| 152 | Q | 71.3 | Confident | 64.3 | Low | 143 Ų | 143 | 116.3 Ų | 116.3 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -86.5 | 123.9 | -177.5 | -55.6 | -176.9 | 24.6 | 0 | 0 | 110 | R154 | Q152-R154 PolarHBondContact O-N 3.23Š|
| 153 | P | 64.9 | Low | 64.9 | Low | 131 Ų | 131 | 118.5 Ų | 118.5 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | -64.5 | 104.1 | 172.6 | 25.1 | -30.7 | 0 | 0 | 0 | 108.6 | A155 | P153-A155 PolarHBondContact O-N 3.3Š| ||
| 154 | R | 58.5 | Low | 65.9 | Low | 226 Ų | 226 | 117.6 Ų | 117.6 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -72.7 | 113.7 | 174.2 | -166.8 | 173.6 | 175.7 | 104.5 | -2.5 | 107.7 | Q152 L156 | Q152-R154 PolarHBondContact O-N 3.23Å; R154-L156 PolarHBondContact O-N 3.46Å | ||
| 155 | A | 53.6 | Low | 66.5 | Low | 90 Ų | 90 | 119.4 Ų | 119.4 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | P153 | P153-A155 PolarHBondContact O-N 3.3Š|
| 156 | L | 55.1 | Low | 66.9 | Low | 152 Ų | 152 | 121.3 Ų | 121.3 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 125.7 | 172.5 | -81.4 | 155.5 | 0 | 0 | 0 | 108.8 | R154 G158 | R154-L156 PolarHBondContact O-N 3.46Å; L156-G158 PolarHBondContact O-N 3.37Å |
| 157 | P | 55.8 | Low | 66.8 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 121.8 | 171.6 | -18.3 | 30.4 | 0 | 0 | 0 | 109.3 | ||
| 158 | G | 67 | Low | 66.3 | Low | 79 Ų | 79 | 125.2 Ų | 125.2 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.9 | -3.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L156 | L156-G158 PolarHBondContact O-N 3.37Š|
| 159 | M | 64.2 | Low | 65.9 | Low | 169 Ų | 169 | 124.5 Ų | 124.5 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 120.7 | 174.3 | -151.3 | 121.4 | 84.5 | 0 | 0 | 110.7 | ||
| 160 | P | 72.5 | Confident | 64.9 | Low | 108 Ų | 108 | 127.7 Ų | 127.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 146.7 | 174.8 | 26 | -33 | 0 | 0 | 0 | 110.7 | ||
| 161 | P | 76.2 | Confident | 63.7 | Low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 147.8 | 177.2 | 27.1 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 162 | P | 78.7 | Confident | 62.6 | Low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 144.1 | 174 | 26.6 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 163 | P | 77.2 | Confident | 61.4 | Low | 119 Ų | 119 | 122.6 Ų | 122.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 147.7 | -179.8 | 26.4 | -33.3 | 0 | 0 | 0 | 111.4 | ||
| 164 | P | 77.6 | Confident | 60.2 | Low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.9 | 179.7 | 27.2 | -33.5 | 0 | 0 | 0 | 111.6 | ||
| 165 | P | 73.4 | Confident | 59.5 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 145.4 | 176.1 | 26.6 | -33.2 | 0 | 0 | 0 | 110.8 | T167 | P165-T167 PolarHBondContact O-N 3.19Å; P165-T167 VanDerWaalsContact O-N 3.07Å |
| 166 | P | 67.4 | Low | 58.8 | Low | 134 Ų | 134 | 128.1 Ų | 128.1 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -64.7 | 112.6 | -178.3 | 24.6 | -31.2 | 0 | 0 | 0 | 110.7 | ||||
| 167 | T | 57.9 | Low | 58.1 | Low | 149 Ų | 149 | 124.3 Ų | 124.3 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -69.2 | 120.6 | 165.2 | 9.3 | 0 | 0 | 0 | 0 | 109.2 | P165 | P165-T167 PolarHBondContact O-N 3.19Å; P165-T167 VanDerWaalsContact O-N 3.07Å | ||
| 168 | G | 51.8 | Low | 58.1 | Low | 78 Ų | 78 | 126.3 Ų | 126.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 124.7 | 88.3 | 160 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 169 | A | 53.8 | Low | 58 | Low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -147.3 | 133.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 170 | P | 48.2 | Very low | 57.6 | Low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -74.9 | 150.8 | -170.9 | 30.5 | -32.4 | 0 | 0 | 0 | 111.6 | A172 | P170-A172 PolarHBondContact O-N 2.93Š| ||
| 171 | T | 44.2 | Very low | 56.4 | Low | 147 Ų | 147 | 126.3 Ų | 126.3 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -50.3 | 118.9 | 169.7 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 172 | A | 46.1 | Very low | 55.2 | Low | 94 Ų | 94 | 127.1 Ų | 127.1 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -121.2 | 98.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | P170 | P170-A172 PolarHBondContact O-N 2.93Š| ||
| 173 | A | 44.5 | Very low | 53.6 | Low | 89 Ų | 89 | 125.4 Ų | 125.4 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | 68.2 | 95.5 | 97.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G175 | A173-G175 PolarHBondContact O-N 3.37Š| |||
| 174 | F | 40.3 | Very low | 52.2 | Low | 224 Ų | 224 | 126.1 Ų | 126.1 | 98% | 0.982 | 81% | 0.807 | S | S | * | * | trans | 11.7 | 106.3 | 145.2 | -76.8 | -97.1 | 0 | 0 | 0 | 116.3 | ||||
| 175 | G | 43 | Very low | 50.5 | Low | 72 Ų | 72 | 131.4 Ų | 131.4 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -159.8 | 86.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A173 G177 | A173-G175 PolarHBondContact O-N 3.37Å; G175-G177 PolarHBondContact O-N 3.31Å | ||
| 176 | R | 39.3 | Very low | 49.1 | Very low | 268 Ų | 268 | 129.5 Ų | 129.5 | 100% | 1.011 | 81% | 0.812 | S | S | * | * | trans | -49.7 | 95.8 | 170.7 | -163.1 | -176.4 | -166.9 | -177.9 | 3.5 | 110.4 | ||||
| 177 | G | 41.1 | Very low | 48.8 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -115.3 | 105.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | G175 | G175-G177 PolarHBondContact O-N 3.31Š| ||
| 178 | M | 56.2 | Low | 49.2 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -51 | 147.5 | 171.1 | -86.2 | 161.4 | 59.1 | 0 | 0 | 112.4 | ||
| 179 | P | 65 | Low | 50.1 | Low | 105 Ų | 105 | 133.1 Ų | 133.1 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 142.1 | 171.3 | 30.1 | -33 | 0 | 0 | 0 | 110.2 | V181 | P179-V181 PolarHBondContact O-N 3.26Š|
| 180 | P | 56.2 | Low | 51 | Low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 116.2 | 177.8 | 27.6 | -32 | 0 | 0 | 0 | 109.8 | T182 | P180-T182 VanDerWaalsContact C-N 3.3Å; P180-T182 PolarHBondContact O-N 2.86Å; P180-T182 VanDerWaalsContact O-N 3.09Å |
| 181 | V | 45.7 | Very low | 52.5 | Low | 135 Ų | 135 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -78.7 | 84.7 | 166.9 | -166.3 | 0 | 0 | 0 | 0 | 106.8 | P179 A183 | P179-V181 PolarHBondContact O-N 3.26Å; V181-A183 VanDerWaalsContact C-N 3.35Å; V181-A183 PolarHBondContact O-N 3.38Å | ||
| 182 | T | 50.6 | Low | 54.1 | Low | 133 Ų | 133 | 132.1 Ų | 132.1 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 97.9 | 167.6 | 34 | 0 | 0 | 0 | 0 | 108.8 | P180 | P180-T182 VanDerWaalsContact C-N 3.3Å; P180-T182 PolarHBondContact O-N 2.86Å; P180-T182 VanDerWaalsContact O-N 3.09Å | ||
| 183 | A | 47 | Very low | 55.6 | Low | 81 Ų | 81 | 133.2 Ų | 133.2 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -51.7 | 139.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V181 | V181-A183 VanDerWaalsContact C-N 3.35Å; V181-A183 PolarHBondContact O-N 3.38Å | ||
| 184 | V | 47.6 | Very low | 57.2 | Low | 135 Ų | 135 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 154.5 | 99.8 | 117.5 | 173.5 | 0 | 0 | 0 | 0 | 107.1 | G186 | V184-G186 PolarHBondContact O-N 3.27Š| |||
| 185 | R | 41.2 | Very low | 58.8 | Low | 226 Ų | 226 | 129 Ų | 129 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -48.9 | 99.4 | 166.1 | -172.1 | -179.9 | -171.6 | -179.8 | 1.9 | 109.5 | Y187 | R185-Y187 PolarHBondContact O-N 2.97Š| ||
| 186 | G | 44.7 | Very low | 59.7 | Low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -66.2 | 115 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V184 | V184-G186 PolarHBondContact O-N 3.27Š| ||
| 187 | Y | 59.8 | Low | 60.6 | Low | 211 Ų | 211 | 122.8 Ų | 122.8 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 140.3 | 166.5 | -81.8 | -93.8 | 0 | 0 | 0 | 109.7 | R185 | R185-Y187 PolarHBondContact O-N 2.97Š|
| 188 | P | 66.6 | Low | 61.2 | Low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 144.7 | 174.6 | 29.1 | -32.8 | 0 | 0 | 0 | 110.1 | ||
| 189 | P | 70.2 | Confident | 60.8 | Low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 150.6 | 177.9 | 28 | -33.8 | 0 | 0 | 0 | 111.2 | ||
| 190 | P | 74.1 | Confident | 60.6 | Low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 154.1 | 178 | 28.7 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 191 | P | 78.1 | Confident | 60.8 | Low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 150.5 | 179.8 | 28.1 | -33.6 | 0 | 0 | 0 | 112 | ||
| 192 | P | 78.7 | Confident | 61.7 | Low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 152.9 | 179.1 | 28.2 | -33.8 | 0 | 0 | 0 | 111.8 | ||
| 193 | P | 77.9 | Confident | 62.3 | Low | 118 Ų | 118 | 141.4 Ų | 141.4 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 152 | 179.4 | 27.6 | -33.8 | 0 | 0 | 0 | 111.5 | ||
| 194 | P | 78.2 | Confident | 63.3 | Low | 114 Ų | 114 | 145.2 Ų | 145.2 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 147.4 | 179.4 | 27 | -33.4 | 0 | 0 | 0 | 111.2 | ||
| 195 | P | 74.3 | Confident | 64.3 | Low | 109 Ų | 109 | 145.9 Ų | 145.9 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 141.7 | 179.5 | 23.8 | -31.6 | 0 | 0 | 0 | 111.2 | G197 | P195-G197 PolarHBondContact O-N 3.31Å; P195-G197 VanDerWaalsContact O-N 3.09Å |
| 196 | P | 61.2 | Low | 66 | Low | 142 Ų | 142 | 140.1 Ų | 140.1 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -66.6 | 110 | 175.2 | -10.6 | 24.8 | 0 | 0 | 0 | 108.7 | ||
| 197 | G | 58.7 | Low | 67.6 | Low | 68 Ų | 68 | 145.5 Ų | 145.5 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 174.7 | -7.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | P195 | P195-G197 PolarHBondContact O-N 3.31Å; P195-G197 VanDerWaalsContact O-N 3.09Å | ||
| 198 | Y | 53.5 | Low | 68.3 | Low | 233 Ų | 233 | 140 Ų | 140 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | -111.3 | 106.6 | 173.1 | -75.6 | -84.6 | 0 | 0 | 0 | 109.9 | ||||
| 199 | R | 48.1 | Very low | 68.4 | Low | 324 Ų | 324 | 142.8 Ų | 142.8 | 100% | 1.223 | 82% | 0.816 | S | S | * | * | trans | -69.7 | 0 | 162.2 | -105.3 | -174.9 | 174.6 | -131 | 1.3 | 110.2 |
Retrieved 199 of 199 residues in 26.8 ms
(Link to these results)