| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.8 | Very low | 73.6 | Confident | 234 Ų | 234 | 85.9 Ų | 85.9 | 100% | 1.153 | 49% | 0.485 | S | S | * | . | 0 | 147.1 | 0 | -58.2 | -135.5 | -140.1 | 0 | 0 | 107.9 | E3 | M1-E3 PolarHBondContact O-N 2.94Š| |||
| 2 | S | 51.7 | Low | 74.6 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 67% | 0.671 | 46% | 0.457 | S | S | * | . | trans | -83.3 | 95 | -176.5 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | L4 | S2-L4 PolarHBondContact O-N 3.3Å; S2-L4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | E | 64.4 | Low | 75.3 | Confident | 188 Ų | 188 | 89.6 Ų | 89.6 | 88% | 0.879 | 48% | 0.477 | S | S | * | . | trans | -67.1 | 107.6 | 179.2 | -66.7 | -176.8 | 179.7 | 0 | 0 | 110.9 | M1 | M1-E3 PolarHBondContact O-N 2.94Š| ||
| 4 | L | 69.8 | Low | 76 | Confident | 33 Ų | 33 | 92.9 Ų | 92.9 | 17% | 0.173 | 49% | 0.488 | C | S | . | . | trans | -75.7 | 137.8 | 173.8 | -70.5 | 171.9 | 0 | 0 | 0 | 109.8 | S2 A6 Q9 L20 C38 | S2-L4 PolarHBondContact O-N 3.3Å; S2-L4 VanDerWaalsContact O-N 3.09Å; L4-A6 PolarHBondContact O-N 3.06Å; L4-Q9 HydrophobicContact CB-CG 4.18Å; L4-Q9 PolarHBondContact O-NE2 2.84Å; L4-L20 HydrophobicContact CD1-CD1 3.6Å; L4-L20 HydrophobicContact CD1-CD2 3.59Å; L4-L20 HydrophobicContact CD1-CG 4.24Å; L4-C38 HydrophobicContact CD2-CB 4.22Å | ||
| 5 | P | 79.3 | Confident | 76.5 | Confident | 74 Ų | 74 | 89.5 Ų | 89.5 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | trans | -50.6 | 136.2 | 176.7 | -26.9 | 34 | 0 | 0 | 0 | 111.9 | D7 V8 Q9 | P5-D7 PolarHBondContact O-N 3.37Å; P5-D7 VanDerWaalsContact O-N 3.12Å; P5-V8 HydrophobicContact CB-CG2 4.2Å; P5-V8 HydrophobicContact CG-CG2 4.41Å; P5-V8 WeakPolarHBondContact O-CB 3.5Å; P5-V8 PolarHBondContact O-N 2.99Å; P5-Q9 PolarHBondContact O-N 3.14Å | ||
| 6 | A | 80.4 | Confident | 76.9 | Confident | 72 Ų | 72 | 90.8 Ų | 90.8 | 60% | 0.595 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -53.2 | -38.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L4 V8 Q9 A10 | L4-A6 PolarHBondContact O-N 3.06Å; A6-V8 VanDerWaalsContact C-N 3.31Å; A6-V8 PolarHBondContact O-N 2.95Å; A6-Q9 WeakPolarHBondContact O-CB 3.41Å; A6-Q9 PolarHBondContact O-N 2.91Å; A6-Q9 VanDerWaalsContact O-N 3.14Å; A6-A10 PolarHBondContact O-N 3.12Å |
| 7 | D | 83.1 | Confident | 77.3 | Confident | 104 Ų | 104 | 86.4 Ų | 86.4 | 56% | 0.556 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -55.7 | -40.8 | 174.3 | -54.5 | -29.7 | 0 | 0 | 0 | 113.3 | P5 A10 F11 L40 | P5-D7 PolarHBondContact O-N 3.37Å; P5-D7 VanDerWaalsContact O-N 3.12Å; D7-A10 PolarHBondContact O-N 3.13Å; D7-F11 VanDerWaalsContact O-CB 3.29Å; D7-F11 WeakPolarHBondContact O-CB 3.47Å; D7-F11 PolarHBondContact O-N 3.25Å; D7-L40 HydrophobicContact CB-CD1 3.61Å; D7-L40 HydrophobicContact CB-CD2 3.86Å; D7-L40 HydrophobicContact CB-CG 4.3Å |
| 8 | V | 83.2 | Confident | 77.8 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.012 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 179.4 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | P5 A6 F11 L12 L40 L43 | P5-V8 HydrophobicContact CB-CG2 4.2Å; P5-V8 HydrophobicContact CG-CG2 4.41Å; P5-V8 WeakPolarHBondContact O-CB 3.5Å; P5-V8 PolarHBondContact O-N 2.99Å; A6-V8 VanDerWaalsContact C-N 3.31Å; A6-V8 PolarHBondContact O-N 2.95Å; V8-F11 PolarHBondContact O-N 3.23Å; V8-L12 HydrophobicContact CG1-CD1 4.25Å; V8-L12 VanDerWaalsContact O-CG 3.29Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 2.77Å; V8-L40 HydrophobicContact CB-CD2 4.33Å; V8-L40 HydrophobicContact CG2-CD2 3.63Å; V8-L40 HydrophobicContact CG2-CG 3.79Å; V8-L43 HydrophobicContact CG1-CD1 4.29Å |
| 9 | Q | 83.3 | Confident | 78.2 | Confident | 79 Ų | 79 | 86.7 Ų | 86.7 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 175.9 | -52.9 | -173.2 | 29.8 | 0 | 0 | 111.4 | L4 P5 A6 L12 R13 | L4-Q9 HydrophobicContact CB-CG 4.18Å; L4-Q9 PolarHBondContact O-NE2 2.84Å; P5-Q9 PolarHBondContact O-N 3.14Å; A6-Q9 WeakPolarHBondContact O-CB 3.41Å; A6-Q9 PolarHBondContact O-N 2.91Å; A6-Q9 VanDerWaalsContact O-N 3.14Å; Q9-L12 PolarHBondContact O-N 3.2Å; Q9-R13 WeakPolarHBondContact O-CG 3.43Å; Q9-R13 PolarHBondContact O-N 3.32Å |
| 10 | A | 85.9 | Confident | 78.6 | Confident | 43 Ų | 43 | 86.2 Ų | 86.2 | 36% | 0.355 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A6 D7 R13 Q14 | A6-A10 PolarHBondContact O-N 3.12Å; D7-A10 PolarHBondContact O-N 3.13Å; A10-R13 WeakPolarHBondContact O-CB 3.47Å; A10-R13 PolarHBondContact O-N 2.87Å; A10-Q14 WeakPolarHBondContact O-CG 3.46Å; A10-Q14 PolarHBondContact O-N 3.4Å; A10-Q14 VanDerWaalsContact O-N 3.17Å |
| 11 | F | 86.4 | Confident | 78.8 | Confident | 20 Ų | 20 | 84 Ų | 84 | 9% | 0.088 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 176.8 | -171.2 | -93.8 | 0 | 0 | 0 | 112.7 | D7 V8 Q14 H15 L18 L40 L43 Q44 T47 | D7-F11 VanDerWaalsContact O-CB 3.29Å; D7-F11 WeakPolarHBondContact O-CB 3.47Å; D7-F11 PolarHBondContact O-N 3.25Å; V8-F11 PolarHBondContact O-N 3.23Å; F11-Q14 PolarHBondContact O-N 3.05Å; F11-H15 AromaticContact CE1-CD2 3.61Å; F11-H15 AromaticContact CZ-CD2 3.6Å; F11-H15 AromaticContact CZ-NE2 3.83Å; F11-H15 PolarHBondContact O-N 2.86Å; F11-L18 HydrophobicContact CD1-CD1 4.49Å; F11-L18 HydrophobicContact CE1-CD1 4.02Å; F11-L40 HydrophobicContact CB-CD2 4.48Å; F11-L43 HydrophobicContact CD1-CB 4.14Å; F11-L43 HydrophobicContact CD1-CD1 4.39Å; F11-L43 HydrophobicContact CE1-CB 3.61Å; F11-L43 HydrophobicContact CZ-CB 4.24Å; F11-Q44 HydrophobicContact CD2-CG 4.44Å; F11-Q44 HydrophobicContact CE2-CG 3.7Å; F11-Q44 HydrophobicContact CZ-CG 4.07Å; F11-T47 HydrophobicContact CE1-CG2 4.04Å; F11-T47 HydrophobicContact CZ-CG2 3.88Å; F11-T47 WeakPolarHBondContact CZ-OG1 3.13Å |
| 12 | L | 84.8 | Confident | 80.1 | Confident | 28 Ų | 28 | 78.8 Ų | 78.8 | 15% | 0.147 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 173.7 | -69.7 | 172.8 | 0 | 0 | 0 | 112 | V8 Q9 Q14 H15 L18 V27 | V8-L12 HydrophobicContact CG1-CD1 4.25Å; V8-L12 VanDerWaalsContact O-CG 3.29Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 2.77Å; Q9-L12 PolarHBondContact O-N 3.2Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 3.33Å; L12-H15 CarbonylContact O-C 3.55Å; L12-H15 VanDerWaalsContact O-C 3.24Å; L12-H15 PolarHBondContact O-N 3.06Å; L12-L18 HydrophobicContact CD2-CB 3.58Å; L12-L18 HydrophobicContact CD2-CD1 4.33Å; L12-V27 HydrophobicContact CD2-CG1 3.81Å; L12-V27 HydrophobicContact CD2-CG2 4.24Å |
| 13 | R | 84.6 | Confident | 80.9 | Confident | 192 Ų | 192 | 79 Ų | 79 | 73% | 0.725 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.9 | -32.3 | 173.5 | -71.8 | 170.8 | -175 | 151.2 | 5.3 | 112.8 | Q9 A10 H15 | Q9-R13 WeakPolarHBondContact O-CG 3.43Å; Q9-R13 PolarHBondContact O-N 3.32Å; A10-R13 WeakPolarHBondContact O-CB 3.47Å; A10-R13 PolarHBondContact O-N 2.87Å; R13-H15 VanDerWaalsContact C-N 3.25Å; R13-H15 PolarHBondContact O-N 2.91Å |
| 14 | Q | 85.3 | Confident | 81 | Confident | 135 Ų | 135 | 71 Ų | 71 | 63% | 0.631 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -13.7 | 173.9 | -66.8 | 173.5 | 5.6 | 0 | 0 | 113.4 | A10 F11 L12 | A10-Q14 WeakPolarHBondContact O-CG 3.46Å; A10-Q14 PolarHBondContact O-N 3.4Å; A10-Q14 VanDerWaalsContact O-N 3.17Å; F11-Q14 PolarHBondContact O-N 3.05Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 3.33Å |
| 15 | H | 83.2 | Confident | 81.3 | Confident | 43 Ų | 43 | 79.6 Ų | 79.6 | 20% | 0.199 | 41% | 0.408 | C | S | . | . | trans | -138.7 | 74.6 | -168.8 | -72.8 | -20.9 | 0 | 0 | 0 | 111.7 | F11 L12 R13 S17 L18 Y52 | F11-H15 AromaticContact CE1-CD2 3.61Å; F11-H15 AromaticContact CZ-CD2 3.6Å; F11-H15 AromaticContact CZ-NE2 3.83Å; F11-H15 PolarHBondContact O-N 2.86Å; L12-H15 CarbonylContact O-C 3.55Å; L12-H15 VanDerWaalsContact O-C 3.24Å; L12-H15 PolarHBondContact O-N 3.06Å; R13-H15 VanDerWaalsContact C-N 3.25Å; R13-H15 PolarHBondContact O-N 2.91Å; H15-S17 PolarHBondContact O-N 3.37Å; H15-L18 HydrophobicContact CB-CD1 3.87Å; H15-L18 HydrophobicContact CB-CG 4.12Å; H15-L18 WeakPolarHBondContact O-CB 3.47Å; H15-L18 PolarHBondContact O-N 3.28Å; H15-Y52 WeakPolarHBondContact CB-OH 3.01Å | ||
| 16 | P | 82.8 | Confident | 81.5 | Confident | 109 Ų | 109 | 80.3 Ų | 80.3 | 71% | 0.708 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.2 | -175.6 | 26.1 | -36.1 | 0 | 0 | 0 | 114.8 | L18 | P16-L18 VanDerWaalsContact C-N 3.25Å; P16-L18 PolarHBondContact O-N 2.77Å |
| 17 | S | 83.4 | Confident | 81.8 | Confident | 16 Ų | 16 | 76.9 Ų | 76.9 | 11% | 0.112 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4.9 | 170.4 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | H15 C29 I30 Y52 | H15-S17 PolarHBondContact O-N 3.37Å; S17-C29 CarbonylContact O-C 3.57Å; S17-C29 WeakPolarHBondContact O-CA 3.37Å; S17-I30 PolarHBondContact O-N 3.37Å; S17-Y52 PolarHBondContact OG-OH 2.94Å |
| 18 | L | 87.1 | Confident | 82 | Confident | 8 Ų | 8 | 78.4 Ų | 78.4 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.8 | 174.7 | -61.9 | -179.1 | 0 | 0 | 0 | 109.2 | F11 L12 H15 P16 V27 C29 Y46 T47 Y52 | F11-L18 HydrophobicContact CD1-CD1 4.49Å; F11-L18 HydrophobicContact CE1-CD1 4.02Å; L12-L18 HydrophobicContact CD2-CB 3.58Å; L12-L18 HydrophobicContact CD2-CD1 4.33Å; H15-L18 HydrophobicContact CB-CD1 3.87Å; H15-L18 HydrophobicContact CB-CG 4.12Å; H15-L18 WeakPolarHBondContact O-CB 3.47Å; H15-L18 PolarHBondContact O-N 3.28Å; P16-L18 VanDerWaalsContact C-N 3.25Å; P16-L18 PolarHBondContact O-N 2.77Å; L18-V27 HydrophobicContact CB-CG1 3.76Å; L18-V27 HydrophobicContact CD2-CG1 4.3Å; L18-V27 HydrophobicContact CG-CG1 4.46Å; L18-C29 HydrophobicContact CD2-CB 3.67Å; L18-Y46 HydrophobicContact CD2-CD1 4.5Å; L18-Y46 HydrophobicContact CD2-CE1 4.11Å; L18-T47 HydrophobicContact CD1-CG2 4.01Å; L18-Y52 HydrophobicContact CD2-CE2 4.19Å; L18-Y52 HydrophobicContact CG-CE2 4.47Å |
| 19 | R | 85.4 | Confident | 82.2 | Confident | 172 Ų | 172 | 78.3 Ų | 78.3 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.6 | 175.9 | -74.6 | -176.9 | 178.8 | -176.1 | 0.7 | 110.8 | V27 R28 I30 | R19-V27 CarbonylContact O-C 3.51Å; R19-V27 WeakPolarHBondContact O-CA 3.41Å; R19-R28 PolarHBondContact N-O 3.02Å; R19-R28 PolarHBondContact O-N 2.99Å; R19-I30 HydrophobicContact CG-CD1 3.97Å; R19-I30 HydrophobicContact CG-CG1 4.19Å |
| 20 | L | 85.6 | Confident | 82.3 | Confident | 76 Ų | 76 | 79 Ų | 79 | 40% | 0.398 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 143.1 | 171 | -165.2 | 75.7 | 0 | 0 | 0 | 110.3 | L4 V27 | L4-L20 HydrophobicContact CD1-CD1 3.6Å; L4-L20 HydrophobicContact CD1-CD2 3.59Å; L4-L20 HydrophobicContact CD1-CG 4.24Å; L20-V27 HydrophobicContact CD1-CG2 4.25Å |
| 21 | Q | 81.9 | Confident | 82.1 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | trans | -82 | 155 | 165.6 | -97.5 | 177.1 | -99.8 | 0 | 0 | 111.6 | D23 A24 K26 | Q21-D23 PolarHBondContact NE2-OD2 2.78Å; Q21-D23 PolarHBondContact O-N 2.89Å; Q21-D23 VanDerWaalsContact O-N 3.15Å; Q21-A24 PolarHBondContact O-N 2.85Å; Q21-K26 HydrophobicContact CB-CB 4.46Å; Q21-K26 PolarHBondContact N-O 3.23Å | ||
| 22 | P | 71.8 | Confident | 81.9 | Confident | 125 Ų | 125 | 80 Ų | 80 | 81% | 0.812 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.8 | 177.2 | 26.1 | -35 | 0 | 0 | 0 | 112.8 | A24 | P22-A24 PolarHBondContact O-N 2.95Š|
| 23 | D | 67.4 | Low | 81.9 | Confident | 102 Ų | 102 | 80.2 Ų | 80.2 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -1.6 | 177.8 | -41.3 | -58.4 | 0 | 0 | 0 | 114 | Q21 R25 | Q21-D23 PolarHBondContact NE2-OD2 2.78Å; Q21-D23 PolarHBondContact O-N 2.89Å; Q21-D23 VanDerWaalsContact O-N 3.15Å; D23-R25 PolarHBondContact O-N 2.82Å |
| 24 | A | 67.1 | Low | 82 | Confident | 20 Ų | 20 | 75.2 Ų | 75.2 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 57.5 | -12.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q21 P22 C38 | Q21-A24 PolarHBondContact O-N 2.85Å; P22-A24 PolarHBondContact O-N 2.95Å; A24-C38 PolarHBondContact O-SG 2.83Å; A24-C38 VanDerWaalsContact O-SG 3.34Å |
| 25 | R | 74.6 | Confident | 82.2 | Confident | 213 Ų | 213 | 73.4 Ų | 73.4 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -93.1 | -10.9 | -177.3 | -62.8 | 177.8 | -172.2 | -123.3 | 1.3 | 114 | D23 C38 | D23-R25 PolarHBondContact O-N 2.82Å; R25-C38 PolarHBondContact O-N 3.36Å; R25-C38 PolarHBondContact O-SG 3.49Å |
| 26 | K | 84.9 | Confident | 82.4 | Confident | 89 Ų | 89 | 72.6 Ų | 72.6 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.9 | -176.1 | -66 | 179.4 | 175.3 | -178 | 0 | 112.8 | Q21 E35 L36 C38 | Q21-K26 HydrophobicContact CB-CB 4.46Å; Q21-K26 PolarHBondContact N-O 3.23Å; K26-E35 HydrophobicContact CD-CB 4.42Å; K26-E35 VanDerWaalsContact CD-OE2 3.31Å; K26-E35 WeakPolarHBondContact CD-OE2 3.44Å; K26-E35 WeakPolarHBondContact CE-OE2 3.44Å; K26-E35 IonicContact NZ-OE2 3.56Å; K26-E35 PolarHBondContact NZ-OE2 2.88Å; K26-L36 CarbonylContact C-O 3.57Å; K26-L36 WeakPolarHBondContact CA-O 3.48Å; K26-C38 VanDerWaalsContact C-SG 3.56Å; K26-C38 PolarHBondContact N-SG 3.1Å; K26-C38 VanDerWaalsContact N-SG 3.38Å |
| 27 | V | 87 | Confident | 82.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.8 | 167.6 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | L12 L18 R19 L20 E35 L36 L43 | L12-V27 HydrophobicContact CD2-CG1 3.81Å; L12-V27 HydrophobicContact CD2-CG2 4.24Å; L18-V27 HydrophobicContact CB-CG1 3.76Å; L18-V27 HydrophobicContact CD2-CG1 4.3Å; L18-V27 HydrophobicContact CG-CG1 4.46Å; R19-V27 CarbonylContact O-C 3.51Å; R19-V27 WeakPolarHBondContact O-CA 3.41Å; L20-V27 HydrophobicContact CD1-CG2 4.25Å; V27-E35 CarbonylContact O-C 3.57Å; V27-E35 WeakPolarHBondContact O-CA 3.48Å; V27-L36 PolarHBondContact N-O 3.19Å; V27-L36 PolarHBondContact O-N 3.46Å; V27-L43 HydrophobicContact CB-CD2 4.09Å; V27-L43 HydrophobicContact CG1-CD2 4.27Å; V27-L43 HydrophobicContact CG2-CD1 4.33Å; V27-L43 HydrophobicContact CG2-CD2 4.2Å |
| 28 | R | 87 | Confident | 82.5 | Confident | 135 Ų | 135 | 70.5 Ų | 70.5 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.9 | 174.6 | -169.1 | 176.2 | 178.9 | -154.9 | -1.4 | 110.5 | R19 G33 H34 E35 | R19-R28 PolarHBondContact N-O 3.02Å; R19-R28 PolarHBondContact O-N 2.99Å; R28-G33 PolarHBondContact NE-O 2.84Å; R28-H34 WeakPolarHBondContact CA-O 3.33Å; R28-E35 HydrophobicContact CG-CG 4.39Å |
| 29 | C | 87.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 117.6 | 175.2 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | S17 L18 L31 T32 G33 H34 Y46 | S17-C29 CarbonylContact O-C 3.57Å; S17-C29 WeakPolarHBondContact O-CA 3.37Å; L18-C29 HydrophobicContact CD2-CB 3.67Å; C29-L31 VanDerWaalsContact C-N 3.25Å; C29-L31 PolarHBondContact O-N 3.21Å; C29-T32 WeakPolarHBondContact CB-OG1 3.24Å; C29-T32 PolarHBondContact O-N 3.18Å; C29-G33 WeakPolarHBondContact O-CA 3.49Å; C29-G33 PolarHBondContact O-N 2.85Å; C29-H34 PolarHBondContact N-O 2.94Å; C29-Y46 HydrophobicContact CB-CE1 4.02Å; C29-Y46 WeakPolarHBondContact CB-OH 3.19Å; C29-Y46 PolarHBondContact SG-OH 3.48Å |
| 30 | I | 85.1 | Confident | 82.5 | Confident | 94 Ų | 94 | 72 Ų | 72 | 48% | 0.482 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -41 | 179.6 | -49.1 | 173.4 | 0 | 0 | 0 | 110.6 | S17 R19 T32 | S17-I30 PolarHBondContact O-N 3.37Å; R19-I30 HydrophobicContact CG-CD1 3.97Å; R19-I30 HydrophobicContact CG-CG1 4.19Å; I30-T32 VanDerWaalsContact C-N 3.25Å; I30-T32 PolarHBondContact O-N 3.38Å |
| 31 | L | 81.4 | Confident | 82.6 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.5 | -173.3 | -58.5 | 179.4 | 0 | 0 | 0 | 114.6 | C29 L55 V56 S59 | C29-L31 VanDerWaalsContact C-N 3.25Å; C29-L31 PolarHBondContact O-N 3.21Å; L31-L55 HydrophobicContact CB-CB 4.17Å; L31-L55 HydrophobicContact CB-CD1 4.47Å; L31-L55 HydrophobicContact CD1-CB 4.14Å; L31-V56 HydrophobicContact CD1-CG2 3.74Å; L31-S59 WeakPolarHBondContact CD2-OG 3.48Å |
| 32 | T | 83.3 | Confident | 82.9 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 20% | 0.202 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | -11.9 | -177.7 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | C29 I30 H34 Y46 L55 | C29-T32 WeakPolarHBondContact CB-OG1 3.24Å; C29-T32 PolarHBondContact O-N 3.18Å; I30-T32 VanDerWaalsContact C-N 3.25Å; I30-T32 PolarHBondContact O-N 3.38Å; T32-H34 PolarHBondContact O-N 3.03Å; T32-H34 WeakPolarHBondContact OG1-CB 3.44Å; T32-H34 PolarHBondContact OG1-N 3Å; T32-Y46 VanDerWaalsContact CG2-OH 3.26Å; T32-Y46 WeakPolarHBondContact CG2-OH 3.44Å; T32-Y46 PolarHBondContact OG1-OH 3.12Å; T32-L55 HydrophobicContact CG2-CD1 3.36Å |
| 33 | G | 83.4 | Confident | 83.6 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | trans | 74.8 | -11.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R28 C29 | R28-G33 PolarHBondContact NE-O 2.84Å; C29-G33 WeakPolarHBondContact O-CA 3.49Å; C29-G33 PolarHBondContact O-N 2.85Å | ||
| 34 | H | 87.1 | Confident | 84.6 | Confident | 88 Ų | 88 | 66.9 Ų | 66.9 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | trans | -67.5 | 135.5 | -171.3 | -70.8 | -37 | 0 | 0 | 0 | 113.1 | R28 C29 T32 K51 | R28-H34 WeakPolarHBondContact CA-O 3.33Å; C29-H34 PolarHBondContact N-O 2.94Å; T32-H34 PolarHBondContact O-N 3.03Å; T32-H34 WeakPolarHBondContact OG1-CB 3.44Å; T32-H34 PolarHBondContact OG1-N 3Å; H34-K51 PolarHBondContact NE2-NZ 3.41Å | ||
| 35 | E | 89.8 | Confident | 85.8 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 141.8 | 170 | -63.8 | 177.7 | -173.1 | 0 | 0 | 110.7 | K26 V27 R28 | K26-E35 HydrophobicContact CD-CB 4.42Å; K26-E35 VanDerWaalsContact CD-OE2 3.31Å; K26-E35 WeakPolarHBondContact CD-OE2 3.44Å; K26-E35 WeakPolarHBondContact CE-OE2 3.44Å; K26-E35 IonicContact NZ-OE2 3.56Å; K26-E35 PolarHBondContact NZ-OE2 2.88Å; V27-E35 CarbonylContact O-C 3.57Å; V27-E35 WeakPolarHBondContact O-CA 3.48Å; R28-E35 HydrophobicContact CG-CG 4.39Å |
| 36 | L | 88.1 | Confident | 86.5 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 141.6 | -178.5 | -62.1 | 165.4 | 0 | 0 | 0 | 108.7 | K26 V27 L43 Y46 | K26-L36 CarbonylContact C-O 3.57Å; K26-L36 WeakPolarHBondContact CA-O 3.48Å; V27-L36 PolarHBondContact N-O 3.19Å; V27-L36 PolarHBondContact O-N 3.46Å; L36-L43 HydrophobicContact CB-CD2 3.9Å; L36-L43 HydrophobicContact CD1-CD2 3.92Å; L36-Y46 HydrophobicContact CD1-CD1 3.41Å; L36-Y46 VanDerWaalsContact CD1-CD1 3.41Å; L36-Y46 HydrophobicContact CD1-CD2 3.9Å; L36-Y46 HydrophobicContact CD1-CE1 3.8Å; L36-Y46 HydrophobicContact CD1-CE2 4.26Å; L36-Y46 HydrophobicContact CD1-CG 3.46Å; L36-Y46 VanDerWaalsContact CD1-CG 3.46Å; L36-Y46 HydrophobicContact CD2-CD2 3.97Å; L36-Y46 HydrophobicContact CD2-CG 4.13Å; L36-Y46 HydrophobicContact CG-CG 4.44Å |
| 37 | P | 86.1 | Confident | 86.6 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 152.4 | 170.9 | -25.7 | 37.5 | 0 | 0 | 0 | 112.5 | R39 E42 | P37-R39 HydrophobicContact CB-CG 4.37Å; P37-R39 PolarHBondContact O-N 3.28Å; P37-E42 WeakPolarHBondContact CB-OE2 3.34Å; P37-E42 VanDerWaalsContact CD-OE2 3.29Å; P37-E42 WeakPolarHBondContact CD-OE2 3.39Å; P37-E42 WeakPolarHBondContact CG-OE2 3.38Å |
| 38 | C | 82.5 | Confident | 86.7 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 14% | 0.135 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -72.8 | 48.7 | 177.2 | -67.6 | 0 | 0 | 0 | 0 | 113.9 | L4 A24 R25 K26 | L4-C38 HydrophobicContact CD2-CB 4.22Å; A24-C38 PolarHBondContact O-SG 2.83Å; A24-C38 VanDerWaalsContact O-SG 3.34Å; R25-C38 PolarHBondContact O-N 3.36Å; R25-C38 PolarHBondContact O-SG 3.49Å; K26-C38 VanDerWaalsContact C-SG 3.56Å; K26-C38 PolarHBondContact N-SG 3.1Å; K26-C38 VanDerWaalsContact N-SG 3.38Å |
| 39 | R | 86.3 | Confident | 86.9 | Confident | 166 Ų | 166 | 61.4 Ų | 61.4 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | trans | -117.6 | 124.7 | -178.5 | -63.6 | -62.5 | -168.5 | 177.1 | 1.9 | 111.1 | P37 E42 L43 | P37-R39 HydrophobicContact CB-CG 4.37Å; P37-R39 PolarHBondContact O-N 3.28Å; R39-E42 HydrophobicContact CB-CB 4.39Å; R39-E42 HydrophobicContact CB-CG 4.23Å; R39-E42 WeakPolarHBondContact CB-OE1 3.28Å; R39-E42 VanDerWaalsContact CG-OE1 3.28Å; R39-E42 WeakPolarHBondContact CG-OE1 3.35Å; R39-E42 PolarHBondContact O-N 3.31Å; R39-L43 WeakPolarHBondContact O-CG 3.27Å; R39-L43 PolarHBondContact O-N 2.82Å | ||
| 40 | L | 85.2 | Confident | 86.8 | Confident | 46 Ų | 46 | 69.3 Ų | 69.3 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -45.9 | -51.9 | 178.7 | -67.8 | 172.4 | 0 | 0 | 0 | 115.2 | D7 V8 F11 E42 L43 Q44 | D7-L40 HydrophobicContact CB-CD1 3.61Å; D7-L40 HydrophobicContact CB-CD2 3.86Å; D7-L40 HydrophobicContact CB-CG 4.3Å; V8-L40 HydrophobicContact CB-CD2 4.33Å; V8-L40 HydrophobicContact CG2-CD2 3.63Å; V8-L40 HydrophobicContact CG2-CG 3.79Å; F11-L40 HydrophobicContact CB-CD2 4.48Å; L40-E42 PolarHBondContact O-N 3.02Å; L40-L43 PolarHBondContact O-N 3.28Å; L40-Q44 WeakPolarHBondContact O-CB 3.35Å; L40-Q44 WeakPolarHBondContact O-CG 3.48Å; L40-Q44 PolarHBondContact O-N 3.39Å |
| 41 | P | 87.8 | Confident | 86.9 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.2 | -38.5 | -175.7 | 24.8 | -34.8 | 0 | 0 | 0 | 112.5 | Q44 V45 | P41-Q44 PolarHBondContact O-N 2.84Å; P41-V45 WeakPolarHBondContact O-CB 3.45Å; P41-V45 VanDerWaalsContact O-CG2 3.3Å; P41-V45 WeakPolarHBondContact O-CG2 3.36Å; P41-V45 PolarHBondContact O-N 3.44Å |
| 42 | E | 88 | Confident | 87.1 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 179.3 | -63.9 | 168.8 | -126.9 | 0 | 0 | 111 | P37 R39 L40 V45 Y46 | P37-E42 WeakPolarHBondContact CB-OE2 3.34Å; P37-E42 VanDerWaalsContact CD-OE2 3.29Å; P37-E42 WeakPolarHBondContact CD-OE2 3.39Å; P37-E42 WeakPolarHBondContact CG-OE2 3.38Å; R39-E42 HydrophobicContact CB-CB 4.39Å; R39-E42 HydrophobicContact CB-CG 4.23Å; R39-E42 WeakPolarHBondContact CB-OE1 3.28Å; R39-E42 VanDerWaalsContact CG-OE1 3.28Å; R39-E42 WeakPolarHBondContact CG-OE1 3.35Å; R39-E42 PolarHBondContact O-N 3.31Å; L40-E42 PolarHBondContact O-N 3.02Å; E42-V45 PolarHBondContact O-N 3.1Å; E42-Y46 WeakPolarHBondContact O-CB 3.49Å; E42-Y46 PolarHBondContact O-N 3.05Å |
| 43 | L | 86.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.4 | -65.1 | 174 | 0 | 0 | 0 | 111.4 | V8 F11 V27 L36 R39 L40 Y46 T47 | V8-L43 HydrophobicContact CG1-CD1 4.29Å; F11-L43 HydrophobicContact CD1-CB 4.14Å; F11-L43 HydrophobicContact CD1-CD1 4.39Å; F11-L43 HydrophobicContact CE1-CB 3.61Å; F11-L43 HydrophobicContact CZ-CB 4.24Å; V27-L43 HydrophobicContact CB-CD2 4.09Å; V27-L43 HydrophobicContact CG1-CD2 4.27Å; V27-L43 HydrophobicContact CG2-CD1 4.33Å; V27-L43 HydrophobicContact CG2-CD2 4.2Å; L36-L43 HydrophobicContact CB-CD2 3.9Å; L36-L43 HydrophobicContact CD1-CD2 3.92Å; R39-L43 WeakPolarHBondContact O-CG 3.27Å; R39-L43 PolarHBondContact O-N 2.82Å; L40-L43 PolarHBondContact O-N 3.28Å; L43-Y46 PolarHBondContact O-N 3.37Å; L43-T47 WeakPolarHBondContact O-CG2 3.41Å; L43-T47 PolarHBondContact O-N 3.19Å; L43-T47 PolarHBondContact O-OG1 3.33Å |
| 44 | Q | 88.8 | Confident | 87.2 | Confident | 62 Ų | 62 | 78.1 Ų | 78.1 | 29% | 0.29 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 175.9 | -75.5 | -176.2 | 23.6 | 0 | 0 | 113.2 | F11 L40 P41 Y46 T47 R48 | F11-Q44 HydrophobicContact CD2-CG 4.44Å; F11-Q44 HydrophobicContact CE2-CG 3.7Å; F11-Q44 HydrophobicContact CZ-CG 4.07Å; L40-Q44 WeakPolarHBondContact O-CB 3.35Å; L40-Q44 WeakPolarHBondContact O-CG 3.48Å; L40-Q44 PolarHBondContact O-N 3.39Å; P41-Q44 PolarHBondContact O-N 2.84Å; Q44-Y46 VanDerWaalsContact C-N 3.33Å; Q44-T47 PolarHBondContact O-N 3.5Å; Q44-R48 VanDerWaalsContact O-CB 3.26Å; Q44-R48 WeakPolarHBondContact O-CB 3.34Å; Q44-R48 WeakPolarHBondContact O-CD 3.38Å; Q44-R48 WeakPolarHBondContact O-CG 3.31Å; Q44-R48 PolarHBondContact O-N 3.38Å |
| 45 | V | 91.6 | Very high | 86.9 | Confident | 105 Ų | 105 | 76.5 Ų | 76.5 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 175.1 | 166.3 | 0 | 0 | 0 | 0 | 110.2 | P41 E42 G49 | P41-V45 WeakPolarHBondContact O-CB 3.45Å; P41-V45 VanDerWaalsContact O-CG2 3.3Å; P41-V45 WeakPolarHBondContact O-CG2 3.36Å; P41-V45 PolarHBondContact O-N 3.44Å; E42-V45 PolarHBondContact O-N 3.1Å; V45-G49 PolarHBondContact O-N 3.22Å; V45-G49 VanDerWaalsContact O-N 3.11Å |
| 46 | Y | 88.9 | Confident | 86.5 | Confident | 36 Ų | 36 | 74.9 Ų | 74.9 | 14% | 0.141 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 176.9 | 177.2 | -98 | 0 | 0 | 0 | 112.7 | L18 C29 T32 L36 E42 L43 Q44 G49 Y52 | L18-Y46 HydrophobicContact CD2-CD1 4.5Å; L18-Y46 HydrophobicContact CD2-CE1 4.11Å; C29-Y46 HydrophobicContact CB-CE1 4.02Å; C29-Y46 WeakPolarHBondContact CB-OH 3.19Å; C29-Y46 PolarHBondContact SG-OH 3.48Å; T32-Y46 VanDerWaalsContact CG2-OH 3.26Å; T32-Y46 WeakPolarHBondContact CG2-OH 3.44Å; T32-Y46 PolarHBondContact OG1-OH 3.12Å; L36-Y46 HydrophobicContact CD1-CD1 3.41Å; L36-Y46 VanDerWaalsContact CD1-CD1 3.41Å; L36-Y46 HydrophobicContact CD1-CD2 3.9Å; L36-Y46 HydrophobicContact CD1-CE1 3.8Å; L36-Y46 HydrophobicContact CD1-CE2 4.26Å; L36-Y46 HydrophobicContact CD1-CG 3.46Å; L36-Y46 VanDerWaalsContact CD1-CG 3.46Å; L36-Y46 HydrophobicContact CD2-CD2 3.97Å; L36-Y46 HydrophobicContact CD2-CG 4.13Å; L36-Y46 HydrophobicContact CG-CG 4.44Å; E42-Y46 WeakPolarHBondContact O-CB 3.49Å; E42-Y46 PolarHBondContact O-N 3.05Å; L43-Y46 PolarHBondContact O-N 3.37Å; Q44-Y46 VanDerWaalsContact C-N 3.33Å; Y46-G49 WeakPolarHBondContact O-CA 3.34Å; Y46-G49 PolarHBondContact O-N 2.98Å; Y46-Y52 HydrophobicContact CD1-CD2 4.12Å; Y46-Y52 HydrophobicContact CD1-CG 4.37Å; Y46-Y52 AromaticContact CE1-CD2 3.37Å; Y46-Y52 HydrophobicContact CE1-CD2 3.37Å; Y46-Y52 AromaticContact CE1-CE2 3.95Å; Y46-Y52 HydrophobicContact CE1-CE2 3.95Å; Y46-Y52 AromaticContact CE1-CG 3.96Å; Y46-Y52 HydrophobicContact CE1-CG 3.96Å; Y46-Y52 WeakPolarHBondContact O-CB 3.45Å |
| 47 | T | 88 | Confident | 85.9 | Confident | 14 Ų | 14 | 81.7 Ų | 81.7 | 9% | 0.086 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -76.8 | -26.3 | -177.9 | 68 | 0 | 0 | 0 | 0 | 113.8 | F11 L18 L43 Q44 G49 Y52 Q53 | F11-T47 HydrophobicContact CE1-CG2 4.04Å; F11-T47 HydrophobicContact CZ-CG2 3.88Å; F11-T47 WeakPolarHBondContact CZ-OG1 3.13Å; L18-T47 HydrophobicContact CD1-CG2 4.01Å; L43-T47 WeakPolarHBondContact O-CG2 3.41Å; L43-T47 PolarHBondContact O-N 3.19Å; L43-T47 PolarHBondContact O-OG1 3.33Å; Q44-T47 PolarHBondContact O-N 3.5Å; T47-G49 PolarHBondContact O-N 2.81Å; T47-Y52 VanDerWaalsContact CA-CD1 3.42Å; T47-Y52 VanDerWaalsContact CB-CE1 3.48Å; T47-Y52 HydrophobicContact CG2-CD1 3.95Å; T47-Y52 HydrophobicContact CG2-CE1 3.51Å; T47-Y52 HydrophobicContact CG2-CE2 4.29Å; T47-Y52 HydrophobicContact CG2-CG 4.47Å; T47-Y52 WeakPolarHBondContact O-CD1 3.26Å; T47-Q53 WeakPolarHBondContact O-CG 3.26Å |
| 48 | R | 88.5 | Confident | 85.1 | Confident | 161 Ų | 161 | 82.3 Ų | 82.3 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.4 | -14 | 164.5 | -68.5 | 171.2 | -175.7 | 154.2 | 9.6 | 112.4 | Q44 Q53 | Q44-R48 VanDerWaalsContact O-CB 3.26Å; Q44-R48 WeakPolarHBondContact O-CB 3.34Å; Q44-R48 WeakPolarHBondContact O-CD 3.38Å; Q44-R48 WeakPolarHBondContact O-CG 3.31Å; Q44-R48 PolarHBondContact O-N 3.38Å; R48-Q53 PolarHBondContact O-NE2 2.89Å |
| 49 | G | 90.6 | Very high | 84.2 | Confident | 26 Ų | 26 | 84.5 Ų | 84.5 | 27% | 0.268 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -66.1 | 132 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V45 Y46 T47 K51 Y52 Q53 | V45-G49 PolarHBondContact O-N 3.22Å; V45-G49 VanDerWaalsContact O-N 3.11Å; Y46-G49 WeakPolarHBondContact O-CA 3.34Å; Y46-G49 PolarHBondContact O-N 2.98Å; T47-G49 PolarHBondContact O-N 2.81Å; G49-K51 PolarHBondContact O-N 3.21Å; G49-Y52 PolarHBondContact O-N 3.04Å; G49-Y52 VanDerWaalsContact O-N 3.07Å; G49-Q53 PolarHBondContact O-N 2.74Å; G49-Q53 VanDerWaalsContact O-N 3.11Å |
| 50 | K | 86.8 | Confident | 83.1 | Confident | 167 Ų | 167 | 79.8 Ų | 79.8 | 73% | 0.726 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -53.7 | -29.4 | -179.3 | -63.8 | 177.9 | -177.6 | 174.2 | 0 | 113.9 | R54 | K50-R54 WeakPolarHBondContact O-CB 3.43Å; K50-R54 WeakPolarHBondContact O-CD 3.49Å; K50-R54 WeakPolarHBondContact O-CG 3.39Å; K50-R54 PolarHBondContact O-N 3.44Å |
| 51 | K | 85.4 | Confident | 82.2 | Confident | 118 Ų | 118 | 82.3 Ų | 82.3 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.5 | -51.9 | 176.4 | -172.5 | -178.6 | -179 | -175.4 | 0 | 111.3 | H34 G49 R54 L55 | H34-K51 PolarHBondContact NE2-NZ 3.41Å; G49-K51 PolarHBondContact O-N 3.21Å; K51-R54 PolarHBondContact O-N 2.76Å; K51-L55 HydrophobicContact CG-CD1 4.24Å; K51-L55 WeakPolarHBondContact O-CG 3.4Å; K51-L55 PolarHBondContact O-N 3.03Å |
| 52 | Y | 86.2 | Confident | 81.3 | Confident | 7 Ų | 7 | 80.4 Ų | 80.4 | 3% | 0.027 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 179.7 | 177.8 | -97.4 | 0 | 0 | 0 | 111.7 | H15 S17 L18 Y46 T47 G49 R54 L55 V56 | H15-Y52 WeakPolarHBondContact CB-OH 3.01Å; S17-Y52 PolarHBondContact OG-OH 2.94Å; L18-Y52 HydrophobicContact CD2-CE2 4.19Å; L18-Y52 HydrophobicContact CG-CE2 4.47Å; Y46-Y52 HydrophobicContact CD1-CD2 4.12Å; Y46-Y52 HydrophobicContact CD1-CG 4.37Å; Y46-Y52 AromaticContact CE1-CD2 3.37Å; Y46-Y52 HydrophobicContact CE1-CD2 3.37Å; Y46-Y52 AromaticContact CE1-CE2 3.95Å; Y46-Y52 HydrophobicContact CE1-CE2 3.95Å; Y46-Y52 AromaticContact CE1-CG 3.96Å; Y46-Y52 HydrophobicContact CE1-CG 3.96Å; Y46-Y52 WeakPolarHBondContact O-CB 3.45Å; T47-Y52 VanDerWaalsContact CA-CD1 3.42Å; T47-Y52 VanDerWaalsContact CB-CE1 3.48Å; T47-Y52 HydrophobicContact CG2-CD1 3.95Å; T47-Y52 HydrophobicContact CG2-CE1 3.51Å; T47-Y52 HydrophobicContact CG2-CE2 4.29Å; T47-Y52 HydrophobicContact CG2-CG 4.47Å; T47-Y52 WeakPolarHBondContact O-CD1 3.26Å; G49-Y52 PolarHBondContact O-N 3.04Å; G49-Y52 VanDerWaalsContact O-N 3.07Å; Y52-R54 VanDerWaalsContact C-N 3.31Å; Y52-R54 PolarHBondContact O-N 3.43Å; Y52-L55 PolarHBondContact O-N 3.4Å; Y52-V56 HydrophobicContact CD1-CG2 3.91Å; Y52-V56 HydrophobicContact CD2-CG2 4.25Å; Y52-V56 HydrophobicContact CE1-CG2 3.54Å; Y52-V56 HydrophobicContact CE2-CG2 3.9Å; Y52-V56 HydrophobicContact CG-CG2 4.29Å; Y52-V56 PolarHBondContact O-N 3.4Å |
| 53 | Q | 85.9 | Confident | 81 | Confident | 83 Ų | 83 | 81.5 Ų | 81.5 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 179.9 | -67 | -175 | -10.1 | 0 | 0 | 113.2 | T47 R48 G49 R57 | T47-Q53 WeakPolarHBondContact O-CG 3.26Å; R48-Q53 PolarHBondContact O-NE2 2.89Å; G49-Q53 PolarHBondContact O-N 2.74Å; G49-Q53 VanDerWaalsContact O-N 3.11Å; Q53-R57 VanDerWaalsContact O-CG 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.43Å; Q53-R57 PolarHBondContact O-N 3.09Å; Q53-R57 VanDerWaalsContact O-N 3.15Å |
| 54 | R | 83.1 | Confident | 80.7 | Confident | 187 Ų | 187 | 84.7 Ų | 84.7 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 174.3 | -76.8 | 170.6 | 178.8 | -176.6 | -1.9 | 111.9 | K50 K51 Y52 A58 | K50-R54 WeakPolarHBondContact O-CB 3.43Å; K50-R54 WeakPolarHBondContact O-CD 3.49Å; K50-R54 WeakPolarHBondContact O-CG 3.39Å; K50-R54 PolarHBondContact O-N 3.44Å; K51-R54 PolarHBondContact O-N 2.76Å; Y52-R54 VanDerWaalsContact C-N 3.31Å; Y52-R54 PolarHBondContact O-N 3.43Å; R54-A58 WeakPolarHBondContact O-CB 3.46Å; R54-A58 PolarHBondContact O-N 2.9Å |
| 55 | L | 81.2 | Confident | 80.4 | Confident | 54 Ų | 54 | 85 Ų | 85 | 28% | 0.283 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.1 | -45 | -179 | -68.3 | 163.9 | 0 | 0 | 0 | 111.4 | L31 T32 K51 Y52 R57 A58 S59 | L31-L55 HydrophobicContact CB-CB 4.17Å; L31-L55 HydrophobicContact CB-CD1 4.47Å; L31-L55 HydrophobicContact CD1-CB 4.14Å; T32-L55 HydrophobicContact CG2-CD1 3.36Å; K51-L55 HydrophobicContact CG-CD1 4.24Å; K51-L55 WeakPolarHBondContact O-CG 3.4Å; K51-L55 PolarHBondContact O-N 3.03Å; Y52-L55 PolarHBondContact O-N 3.4Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 2.95Å; L55-A58 CarbonylContact O-C 3.24Å; L55-A58 WeakPolarHBondContact O-CA 3.34Å; L55-A58 PolarHBondContact O-N 3.35Å; L55-S59 WeakPolarHBondContact O-CB 3.22Å; L55-S59 PolarHBondContact O-N 3.28Å; L55-S59 PolarHBondContact O-OG 2.94Å |
| 56 | V | 81.6 | Confident | 80.1 | Confident | 62 Ų | 62 | 86.9 Ų | 86.9 | 38% | 0.376 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58 | -41.6 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L31 Y52 A58 S59 | L31-V56 HydrophobicContact CD1-CG2 3.74Å; Y52-V56 HydrophobicContact CD1-CG2 3.91Å; Y52-V56 HydrophobicContact CD2-CG2 4.25Å; Y52-V56 HydrophobicContact CE1-CG2 3.54Å; Y52-V56 HydrophobicContact CE2-CG2 3.9Å; Y52-V56 HydrophobicContact CG-CG2 4.29Å; Y52-V56 PolarHBondContact O-N 3.4Å; V56-A58 VanDerWaalsContact C-N 3.29Å; V56-A58 PolarHBondContact O-N 2.82Å; V56-S59 PolarHBondContact O-N 2.87Å |
| 57 | R | 75.6 | Confident | 79.9 | Confident | 170 Ų | 170 | 86.6 Ų | 86.6 | 64% | 0.642 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.3 | -25.6 | 174 | -70.3 | 176.1 | -172.1 | -160.8 | 2.5 | 114.1 | Q53 L55 P60 | Q53-R57 VanDerWaalsContact O-CG 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.43Å; Q53-R57 PolarHBondContact O-N 3.09Å; Q53-R57 VanDerWaalsContact O-N 3.15Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 2.95Å; R57-P60 VanDerWaalsContact O-CD 3.22Å; R57-P60 WeakPolarHBondContact O-CD 3.35Å |
| 58 | A | 68.9 | Low | 79.7 | Confident | 74 Ų | 74 | 91 Ų | 91 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -88.9 | -5.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R54 L55 V56 | R54-A58 WeakPolarHBondContact O-CB 3.46Å; R54-A58 PolarHBondContact O-N 2.9Å; L55-A58 CarbonylContact O-C 3.24Å; L55-A58 WeakPolarHBondContact O-CA 3.34Å; L55-A58 PolarHBondContact O-N 3.35Å; V56-A58 VanDerWaalsContact C-N 3.29Å; V56-A58 PolarHBondContact O-N 2.82Å |
| 59 | S | 62.4 | Low | 79.6 | Confident | 65 Ų | 65 | 87.2 Ų | 87.2 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | trans | -113.1 | 22.9 | -178.2 | -57.5 | 0 | 0 | 0 | 0 | 117.4 | L31 L55 V56 A61 | L31-S59 WeakPolarHBondContact CD2-OG 3.48Å; L55-S59 WeakPolarHBondContact O-CB 3.22Å; L55-S59 PolarHBondContact O-N 3.28Å; L55-S59 PolarHBondContact O-OG 2.94Å; V56-S59 PolarHBondContact O-N 2.87Å; S59-A61 PolarHBondContact O-N 3.41Å | ||
| 60 | P | 63.8 | Low | 79.6 | Confident | 68 Ų | 68 | 87.5 Ų | 87.5 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | trans | -68.1 | 129.8 | 154.4 | 31.3 | -29.7 | 0 | 0 | 0 | 108.2 | R57 F62 P94 | R57-P60 VanDerWaalsContact O-CD 3.22Å; R57-P60 WeakPolarHBondContact O-CD 3.35Å; P60-F62 PolarHBondContact O-N 3.29Å; P60-F62 VanDerWaalsContact O-N 3.1Å; P60-P94 HydrophobicContact CG-CG 4.24Å | ||
| 61 | A | 66.7 | Low | 79.8 | Confident | 99 Ų | 99 | 79.8 Ų | 79.8 | 82% | 0.818 | 42% | 0.424 | S | S | * | . | trans | -63.6 | 109.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | S59 | S59-A61 PolarHBondContact O-N 3.41Š| ||
| 62 | F | 69 | Low | 80 | Confident | 44 Ų | 44 | 76 Ų | 76 | 19% | 0.193 | 41% | 0.411 | C | S | . | . | trans | -110.4 | 120.2 | -176.6 | 179.4 | -94.8 | 0 | 0 | 0 | 108.1 | P60 F64 F67 P94 V97 L98 | P60-F62 PolarHBondContact O-N 3.29Å; P60-F62 VanDerWaalsContact O-N 3.1Å; F62-F64 VanDerWaalsContact C-N 3.32Å; F62-F64 AromaticContact CD1-CD1 3.66Å; F62-F64 HydrophobicContact CD1-CD1 3.66Å; F62-F64 HydrophobicContact CD1-CD2 4.37Å; F62-F64 AromaticContact CD1-CE1 3.6Å; F62-F64 HydrophobicContact CD1-CE1 3.6Å; F62-F64 HydrophobicContact CD1-CE2 4.31Å; F62-F64 HydrophobicContact CD1-CG 4.06Å; F62-F64 AromaticContact CD1-CZ 3.94Å; F62-F64 HydrophobicContact CD1-CZ 3.94Å; F62-F64 AromaticContact CE1-CD1 3.91Å; F62-F64 HydrophobicContact CE1-CD1 3.91Å; F62-F64 HydrophobicContact CE1-CE1 4.04Å; F62-F64 WeakPolarHBondContact O-CD2 3.41Å; F62-F64 WeakPolarHBondContact O-CE2 3.09Å; F62-F64 PolarHBondContact O-N 2.78Å; F62-F67 HydrophobicContact CE1-CD2 4.12Å; F62-F67 AromaticContact CE1-CE2 3.51Å; F62-F67 HydrophobicContact CE1-CE2 3.51Å; F62-F67 HydrophobicContact CE1-CZ 4.37Å; F62-F67 HydrophobicContact CZ-CD2 4.43Å; F62-F67 AromaticContact CZ-CE2 3.42Å; F62-F67 HydrophobicContact CZ-CE2 3.42Å; F62-F67 VanDerWaalsContact CZ-CE2 3.42Å; F62-F67 AromaticContact CZ-CZ 3.88Å; F62-F67 HydrophobicContact CZ-CZ 3.88Å; F62-P94 HydrophobicContact CB-CB 3.97Å; F62-P94 HydrophobicContact CB-CG 4.43Å; F62-P94 HydrophobicContact CD1-CB 3.86Å; F62-P94 HydrophobicContact CD2-CB 3.68Å; F62-P94 HydrophobicContact CE1-CB 4.2Å; F62-P94 HydrophobicContact CE2-CB 4.05Å; F62-P94 HydrophobicContact CG-CB 3.56Å; F62-P94 HydrophobicContact CZ-CB 4.29Å; F62-V97 HydrophobicContact CE1-CG1 4.46Å; F62-L98 HydrophobicContact CE2-CD1 4.19Å; F62-L98 HydrophobicContact CE2-CD2 4.36Å; F62-L98 HydrophobicContact CE2-CG 4.35Å; F62-L98 HydrophobicContact CZ-CD1 4.41Å; F62-L98 HydrophobicContact CZ-CD2 4.04Å; F62-L98 HydrophobicContact CZ-CG 4.08Å | ||
| 63 | D | 80.6 | Confident | 80.2 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | trans | -79.5 | 83.1 | -171 | -63.1 | -48.4 | 0 | 0 | 0 | 110.7 | A65 E66 | D63-A65 PolarHBondContact O-N 3.14Å; D63-E66 PolarHBondContact O-N 2.75Å; D63-E66 VanDerWaalsContact O-N 3.07Å | ||
| 64 | F | 82.1 | Confident | 80.4 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 29% | 0.289 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -55.4 | -16.7 | 177.7 | -62.9 | -77.9 | 0 | 0 | 0 | 113.7 | F62 E66 F67 L81 V97 | F62-F64 VanDerWaalsContact C-N 3.32Å; F62-F64 AromaticContact CD1-CD1 3.66Å; F62-F64 HydrophobicContact CD1-CD1 3.66Å; F62-F64 HydrophobicContact CD1-CD2 4.37Å; F62-F64 AromaticContact CD1-CE1 3.6Å; F62-F64 HydrophobicContact CD1-CE1 3.6Å; F62-F64 HydrophobicContact CD1-CE2 4.31Å; F62-F64 HydrophobicContact CD1-CG 4.06Å; F62-F64 AromaticContact CD1-CZ 3.94Å; F62-F64 HydrophobicContact CD1-CZ 3.94Å; F62-F64 AromaticContact CE1-CD1 3.91Å; F62-F64 HydrophobicContact CE1-CD1 3.91Å; F62-F64 HydrophobicContact CE1-CE1 4.04Å; F62-F64 WeakPolarHBondContact O-CD2 3.41Å; F62-F64 WeakPolarHBondContact O-CE2 3.09Å; F62-F64 PolarHBondContact O-N 2.78Å; F64-E66 PolarHBondContact O-N 3.32Å; F64-F67 PolarHBondContact O-N 3.03Å; F64-F67 VanDerWaalsContact O-N 3.13Å; F64-L81 HydrophobicContact CD1-CD1 3.67Å; F64-L81 HydrophobicContact CE1-CD1 4.09Å; F64-L81 HydrophobicContact CG-CD1 4.37Å; F64-V97 HydrophobicContact CD1-CG2 4.05Å; F64-V97 HydrophobicContact CE1-CG2 3.85Å |
| 65 | A | 82.7 | Confident | 80.6 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 58% | 0.579 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -56.2 | -31.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D63 F67 E68 | D63-A65 PolarHBondContact O-N 3.14Å; A65-F67 PolarHBondContact O-N 3.3Å; A65-E68 PolarHBondContact O-N 3.09Å; A65-E68 VanDerWaalsContact O-N 3.15Å |
| 66 | E | 84.7 | Confident | 80.9 | Confident | 144 Ų | 144 | 78.9 Ų | 78.9 | 67% | 0.673 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -58 | -17 | 175.2 | -67.2 | -176.4 | 165.5 | 0 | 0 | 113.8 | D63 F64 | D63-E66 PolarHBondContact O-N 2.75Å; D63-E66 VanDerWaalsContact O-N 3.07Å; F64-E66 PolarHBondContact O-N 3.32Å |
| 67 | F | 85.1 | Confident | 81 | Confident | 30 Ų | 30 | 79.1 Ų | 79.1 | 13% | 0.132 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -111.2 | -0.3 | -175.8 | -53.5 | -79 | 0 | 0 | 0 | 113.5 | F62 F64 A65 H70 I71 V97 L98 T101 | F62-F67 HydrophobicContact CE1-CD2 4.12Å; F62-F67 AromaticContact CE1-CE2 3.51Å; F62-F67 HydrophobicContact CE1-CE2 3.51Å; F62-F67 HydrophobicContact CE1-CZ 4.37Å; F62-F67 HydrophobicContact CZ-CD2 4.43Å; F62-F67 AromaticContact CZ-CE2 3.42Å; F62-F67 HydrophobicContact CZ-CE2 3.42Å; F62-F67 VanDerWaalsContact CZ-CE2 3.42Å; F62-F67 AromaticContact CZ-CZ 3.88Å; F62-F67 HydrophobicContact CZ-CZ 3.88Å; F64-F67 PolarHBondContact O-N 3.03Å; F64-F67 VanDerWaalsContact O-N 3.13Å; A65-F67 PolarHBondContact O-N 3.3Å; F67-H70 PolarHBondContact O-N 2.88Å; F67-H70 VanDerWaalsContact O-N 3.13Å; F67-I71 HydrophobicContact CB-CB 3.92Å; F67-I71 HydrophobicContact CB-CD1 4.13Å; F67-I71 HydrophobicContact CB-CG1 4.25Å; F67-I71 PolarHBondContact O-N 2.86Å; F67-V97 HydrophobicContact CD1-CG1 4.2Å; F67-V97 HydrophobicContact CD2-CG1 3.89Å; F67-V97 HydrophobicContact CE1-CG1 4.45Å; F67-V97 HydrophobicContact CE2-CG1 4.18Å; F67-V97 HydrophobicContact CG-CG1 3.91Å; F67-V97 HydrophobicContact CZ-CG1 4.45Å; F67-L98 HydrophobicContact CZ-CD2 4.15Å; F67-T101 HydrophobicContact CD1-CG2 3.74Å; F67-T101 HydrophobicContact CE1-CG2 4.05Å |
| 68 | E | 83.6 | Confident | 81.5 | Confident | 107 Ų | 107 | 75.3 Ų | 75.3 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 142.8 | 163.3 | -59.7 | -158 | 145.9 | 0 | 0 | 108.8 | A65 | A65-E68 PolarHBondContact O-N 3.09Å; A65-E68 VanDerWaalsContact O-N 3.15Å |
| 69 | P | 86.6 | Confident | 82.3 | Confident | 80 Ų | 80 | 79.2 Ų | 79.2 | 52% | 0.519 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -90.6 | 1.4 | 14.1 | 36.9 | -37.9 | 0 | 0 | 0 | 115 | V72 K84 | P69-V72 WeakPolarHBondContact O-CG2 3.46Å; P69-K84 WeakPolarHBondContact O-CD 3.15Å; P69-K84 WeakPolarHBondContact O-CE 3.36Å; P69-K84 PolarHBondContact O-NZ 3.15Å |
| 70 | H | 89.3 | Confident | 83.7 | Confident | 33 Ų | 33 | 78.1 Ų | 78.1 | 15% | 0.153 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -35.4 | -168.7 | -62.7 | -51.1 | 0 | 0 | 0 | 114.6 | F67 C83 K84 L85 Y106 Y113 | F67-H70 PolarHBondContact O-N 2.88Å; F67-H70 VanDerWaalsContact O-N 3.13Å; H70-C83 WeakPolarHBondContact O-CA 3.37Å; H70-K84 PolarHBondContact O-N 2.9Å; H70-L85 HydrophobicContact CB-CD1 4.13Å; H70-L85 HydrophobicContact CB-CG 4.24Å; H70-Y106 HydrophobicContact CB-CE2 4.44Å; H70-Y106 WeakPolarHBondContact CB-OH 3.44Å; H70-Y113 AromaticContact CE1-CD1 3.85Å; H70-Y113 AromaticContact CE1-CE1 3.61Å |
| 71 | I | 91.3 | Very high | 85.1 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 101.2 | 179.1 | -58.3 | -174.7 | 0 | 0 | 0 | 107.8 | F67 L81 C83 I90 V97 T101 Y106 | F67-I71 HydrophobicContact CB-CB 3.92Å; F67-I71 HydrophobicContact CB-CD1 4.13Å; F67-I71 HydrophobicContact CB-CG1 4.25Å; F67-I71 PolarHBondContact O-N 2.86Å; I71-L81 HydrophobicContact CG2-CB 3.64Å; I71-L81 HydrophobicContact CG2-CD1 3.7Å; I71-L81 HydrophobicContact CG2-CG 4.25Å; I71-C83 HydrophobicContact CG1-CB 4.34Å; I71-I90 HydrophobicContact CD1-CD1 4.29Å; I71-V97 HydrophobicContact CD1-CG1 4.05Å; I71-T101 HydrophobicContact CD1-CG2 3.58Å; I71-Y106 HydrophobicContact CD1-CE2 4.35Å; I71-Y106 HydrophobicContact CG1-CE2 4.35Å |
| 72 | V | 90.1 | Very high | 86.3 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 24% | 0.242 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 151.5 | -173.1 | 174.5 | 0 | 0 | 0 | 0 | 109.2 | P69 S74 L81 F82 | P69-V72 WeakPolarHBondContact O-CG2 3.46Å; V72-S74 PolarHBondContact O-N 3.13Å; V72-L81 CarbonylContact O-C 3.57Å; V72-L81 WeakPolarHBondContact O-CA 3.19Å; V72-F82 PolarHBondContact N-O 3.48Å; V72-F82 PolarHBondContact O-N 3.28Å |
| 73 | P | 90.1 | Very high | 87.5 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.4 | 135.1 | 171.3 | -29.5 | 37.2 | 0 | 0 | 0 | 113 | T75 L81 | P73-T75 PolarHBondContact O-N 3.39Å; P73-L81 HydrophobicContact CG-CD2 4.32Å |
| 74 | S | 89.9 | Confident | 88 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | trans | -74.4 | 128.3 | 178.8 | 176.9 | 0 | 0 | 0 | 0 | 111 | V72 K76 N77 Q80 H89 | V72-S74 PolarHBondContact O-N 3.13Å; S74-K76 PolarHBondContact O-N 3.38Å; S74-K76 PolarHBondContact OG-N 2.86Å; S74-N77 PolarHBondContact OG-N 2.94Å; S74-Q80 PolarHBondContact N-O 2.87Å; S74-H89 PolarHBondContact OG-CD2 3.31Å; S74-H89 VanDerWaalsContact OG-CD2 3.28Å; S74-H89 PolarHBondContact OG-NE2 3.05Å | ||
| 75 | T | 88 | Confident | 88.4 | Confident | 145 Ų | 145 | 67.9 Ų | 67.9 | 89% | 0.89 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -66.2 | -22 | 171.7 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | P73 | P73-T75 PolarHBondContact O-N 3.39Š|
| 76 | K | 86.3 | Confident | 88.8 | Confident | 167 Ų | 167 | 64.7 Ų | 64.7 | 73% | 0.726 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -91.6 | -37.2 | 179.4 | -61.3 | -163.4 | 176.2 | -163.2 | 0 | 112.8 | S74 | S74-K76 PolarHBondContact O-N 3.38Å; S74-K76 PolarHBondContact OG-N 2.86Å |
| 77 | N | 85.4 | Confident | 89.1 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | trans | -128.1 | 97.7 | -169.2 | -70 | -9.6 | 0 | 0 | 0 | 110.5 | S74 H79 Q80 | S74-N77 PolarHBondContact OG-N 2.94Å; N77-H79 PolarHBondContact O-N 2.98Å; N77-H79 VanDerWaalsContact O-N 3.09Å; N77-Q80 HydrophobicContact CB-CB 3.88Å; N77-Q80 HydrophobicContact CB-CG 4.09Å; N77-Q80 PolarHBondContact ND2-OE1 3.23Å; N77-Q80 PolarHBondContact O-N 2.86Å | ||
| 78 | P | 84.9 | Confident | 89.4 | Confident | 89 Ų | 89 | 64.7 Ų | 64.7 | 58% | 0.578 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.8 | -171.3 | 24.1 | -34.4 | 0 | 0 | 0 | 114.3 | Q80 K92 | P78-Q80 VanDerWaalsContact C-N 3.31Å; P78-K92 VanDerWaalsContact O-CE 3.26Å; P78-K92 WeakPolarHBondContact O-CE 3.22Å; P78-K92 PolarHBondContact O-NZ 3.39Å |
| 79 | H | 85.6 | Confident | 89.8 | Confident | 157 Ų | 157 | 62.8 Ų | 62.8 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 5.2 | 175 | -52 | -62.5 | 0 | 0 | 0 | 113.9 | N77 K92 | N77-H79 PolarHBondContact O-N 2.98Å; N77-H79 VanDerWaalsContact O-N 3.09Å; H79-K92 WeakPolarHBondContact O-CB 3.28Å; H79-K92 PolarHBondContact O-N 2.9Å |
| 80 | Q | 92.2 | Very high | 90.1 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 155.7 | -176.5 | -63.2 | -171.2 | -31.9 | 0 | 0 | 112.2 | S74 N77 P78 I90 N91 | S74-Q80 PolarHBondContact N-O 2.87Å; N77-Q80 HydrophobicContact CB-CB 3.88Å; N77-Q80 HydrophobicContact CB-CG 4.09Å; N77-Q80 PolarHBondContact ND2-OE1 3.23Å; N77-Q80 PolarHBondContact O-N 2.86Å; P78-Q80 VanDerWaalsContact C-N 3.31Å; Q80-I90 CarbonylContact C-O 3.13Å; Q80-I90 VanDerWaalsContact CA-O 3.22Å; Q80-I90 WeakPolarHBondContact CA-O 3.44Å; Q80-I90 VanDerWaalsContact CB-O 3.27Å; Q80-I90 WeakPolarHBondContact CB-O 3.33Å; Q80-N91 PolarHBondContact NE2-OD1 2.86Å |
| 81 | L | 92.4 | Very high | 90.2 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 155.7 | 166.1 | -53.6 | 177.3 | 0 | 0 | 0 | 108.5 | F64 I71 V72 P73 H89 I90 K92 V97 | F64-L81 HydrophobicContact CD1-CD1 3.67Å; F64-L81 HydrophobicContact CE1-CD1 4.09Å; F64-L81 HydrophobicContact CG-CD1 4.37Å; I71-L81 HydrophobicContact CG2-CB 3.64Å; I71-L81 HydrophobicContact CG2-CD1 3.7Å; I71-L81 HydrophobicContact CG2-CG 4.25Å; V72-L81 CarbonylContact O-C 3.57Å; V72-L81 WeakPolarHBondContact O-CA 3.19Å; P73-L81 HydrophobicContact CG-CD2 4.32Å; L81-H89 CarbonylContact O-C 3.54Å; L81-H89 WeakPolarHBondContact O-CA 3.42Å; L81-I90 PolarHBondContact N-O 3.16Å; L81-I90 PolarHBondContact O-N 3.16Å; L81-K92 HydrophobicContact CD2-CD 4.28Å; L81-K92 HydrophobicContact CD2-CG 3.75Å; L81-K92 HydrophobicContact CG-CG 3.78Å; L81-V97 HydrophobicContact CD1-CG2 3.74Å |
| 82 | F | 93.7 | Very high | 90 | Very high | 59 Ų | 59 | 65.6 Ų | 65.6 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.2 | 177.2 | -178.4 | -101.6 | 0 | 0 | 0 | 109.7 | V72 K84 L87 H89 | V72-F82 PolarHBondContact N-O 3.48Å; V72-F82 PolarHBondContact O-N 3.28Å; F82-K84 HydrophobicContact CD1-CG 4.46Å; F82-L87 HydrophobicContact CE1-CD2 4.06Å; F82-L87 HydrophobicContact CZ-CB 4.19Å; F82-L87 HydrophobicContact CZ-CD2 3.65Å; F82-H89 AromaticContact CD2-CD2 3.89Å; F82-H89 AromaticContact CD2-CE1 3.91Å; F82-H89 AromaticContact CD2-NE2 3.64Å |
| 83 | C | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 108.7 | 174 | 172.8 | 0 | 0 | 0 | 0 | 109.7 | H70 I71 L85 T86 L87 R88 I90 H100 | H70-C83 WeakPolarHBondContact O-CA 3.37Å; I71-C83 HydrophobicContact CG1-CB 4.34Å; C83-L85 VanDerWaalsContact C-N 3.34Å; C83-L85 PolarHBondContact O-N 3.39Å; C83-T86 PolarHBondContact O-N 3.07Å; C83-T86 PolarHBondContact SG-N 3.3Å; C83-T86 PolarHBondContact SG-OG1 3.24Å; C83-L87 WeakPolarHBondContact O-CA 3.39Å; C83-L87 PolarHBondContact O-N 2.77Å; C83-R88 PolarHBondContact N-O 2.9Å; C83-R88 PolarHBondContact O-N 2.86Å; C83-I90 HydrophobicContact CB-CD1 3.97Å; C83-H100 PolarHBondContact SG-NE2 2.81Å |
| 84 | K | 91.1 | Very high | 89.6 | Confident | 101 Ų | 101 | 64 Ų | 64 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -45.5 | 179 | -64.4 | 177.3 | -175.3 | 160.4 | 0 | 111.6 | P69 H70 F82 T86 L87 | P69-K84 WeakPolarHBondContact O-CD 3.15Å; P69-K84 WeakPolarHBondContact O-CE 3.36Å; P69-K84 PolarHBondContact O-NZ 3.15Å; H70-K84 PolarHBondContact O-N 2.9Å; F82-K84 HydrophobicContact CD1-CG 4.46Å; K84-T86 VanDerWaalsContact C-N 3.35Å; K84-T86 PolarHBondContact O-N 3Å; K84-L87 VanDerWaalsContact O-CD2 3.28Å; K84-L87 WeakPolarHBondContact O-CD2 3.42Å |
| 85 | L | 91.2 | Very high | 89.5 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -36 | -176.3 | -62.3 | -179 | 0 | 0 | 0 | 113.6 | H70 C83 Y106 A109 L110 Y113 Y123 | H70-L85 HydrophobicContact CB-CD1 4.13Å; H70-L85 HydrophobicContact CB-CG 4.24Å; C83-L85 VanDerWaalsContact C-N 3.34Å; C83-L85 PolarHBondContact O-N 3.39Å; L85-Y106 HydrophobicContact CD1-CE2 3.95Å; L85-A109 HydrophobicContact CB-CB 3.94Å; L85-L110 HydrophobicContact CD1-CD2 3.54Å; L85-L110 HydrophobicContact CD1-CG 3.84Å; L85-Y113 HydrophobicContact CD2-CD1 4.3Å; L85-Y113 HydrophobicContact CD2-CD2 3.55Å; L85-Y113 HydrophobicContact CD2-CE2 4.22Å; L85-Y113 HydrophobicContact CD2-CG 3.62Å; L85-Y123 HydrophobicContact CD2-CD1 4.32Å; L85-Y123 HydrophobicContact CD2-CE1 4.17Å; L85-Y123 PolarHBondContact O-OH 2.89Å |
| 86 | T | 90.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -5.2 | -175.3 | 72.8 | 0 | 0 | 0 | 0 | 114.3 | C83 K84 H100 R105 Y106 A109 | C83-T86 PolarHBondContact O-N 3.07Å; C83-T86 PolarHBondContact SG-N 3.3Å; C83-T86 PolarHBondContact SG-OG1 3.24Å; K84-T86 VanDerWaalsContact C-N 3.35Å; K84-T86 PolarHBondContact O-N 3Å; T86-H100 PolarHBondContact OG1-CE1 3.07Å; T86-H100 VanDerWaalsContact OG1-CE1 3.24Å; T86-H100 PolarHBondContact OG1-NE2 3.13Å; T86-R105 HydrophobicContact CG2-CG 4.13Å; T86-R105 PolarHBondContact O-NH2 2.93Å; T86-Y106 HydrophobicContact CG2-CD2 4.24Å; T86-A109 HydrophobicContact CG2-CB 3.97Å |
| 87 | L | 89.8 | Confident | 89.8 | Confident | 62 Ų | 62 | 56.3 Ų | 56.3 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 56.2 | -169.9 | -54.5 | 179.2 | 0 | 0 | 0 | 112.4 | F82 C83 K84 P125 L128 | F82-L87 HydrophobicContact CE1-CD2 4.06Å; F82-L87 HydrophobicContact CZ-CB 4.19Å; F82-L87 HydrophobicContact CZ-CD2 3.65Å; C83-L87 WeakPolarHBondContact O-CA 3.39Å; C83-L87 PolarHBondContact O-N 2.77Å; K84-L87 VanDerWaalsContact O-CD2 3.28Å; K84-L87 WeakPolarHBondContact O-CD2 3.42Å; L87-P125 HydrophobicContact CD1-CB 3.82Å; L87-P125 HydrophobicContact CD1-CG 3.89Å; L87-P125 HydrophobicContact CD2-CG 4.19Å; L87-P125 HydrophobicContact CG-CB 3.83Å; L87-P125 HydrophobicContact CG-CG 3.84Å; L87-L128 HydrophobicContact CD1-CD1 3.95Å; L87-L128 HydrophobicContact CD1-CD2 3.79Å; L87-L128 HydrophobicContact CD1-CG 3.72Å |
| 88 | R | 91.3 | Very high | 90 | Very high | 111 Ų | 111 | 56.1 Ų | 56.1 | 42% | 0.419 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142.5 | 179.2 | -65.1 | -174.2 | 76.6 | -108.9 | 5.2 | 112.6 | C83 | C83-R88 PolarHBondContact N-O 2.9Å; C83-R88 PolarHBondContact O-N 2.86Å |
| 89 | H | 92.9 | Very high | 90.4 | Very high | 68 Ų | 68 | 59 Ų | 59 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 146.5 | 163.8 | -69 | 104 | 0 | 0 | 0 | 111.7 | S74 L81 F82 | S74-H89 PolarHBondContact OG-CD2 3.31Å; S74-H89 VanDerWaalsContact OG-CD2 3.28Å; S74-H89 PolarHBondContact OG-NE2 3.05Å; L81-H89 CarbonylContact O-C 3.54Å; L81-H89 WeakPolarHBondContact O-CA 3.42Å; F82-H89 AromaticContact CD2-CD2 3.89Å; F82-H89 AromaticContact CD2-CE1 3.91Å; F82-H89 AromaticContact CD2-NE2 3.64Å |
| 90 | I | 92.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 137.8 | -179 | -49.8 | 168 | 0 | 0 | 0 | 106.3 | I71 Q80 L81 C83 H96 V97 H100 | I71-I90 HydrophobicContact CD1-CD1 4.29Å; Q80-I90 CarbonylContact C-O 3.13Å; Q80-I90 VanDerWaalsContact CA-O 3.22Å; Q80-I90 WeakPolarHBondContact CA-O 3.44Å; Q80-I90 VanDerWaalsContact CB-O 3.27Å; Q80-I90 WeakPolarHBondContact CB-O 3.33Å; L81-I90 PolarHBondContact N-O 3.16Å; L81-I90 PolarHBondContact O-N 3.16Å; C83-I90 HydrophobicContact CB-CD1 3.97Å; I90-H96 HydrophobicContact CG2-CB 3.95Å; I90-V97 HydrophobicContact CG2-CG2 4.45Å; I90-H100 HydrophobicContact CD1-CB 3.89Å; I90-H100 WeakPolarHBondContact CD1-CD2 3.19Å |
| 91 | N | 91.1 | Very high | 90.9 | Very high | 71 Ų | 71 | 51.4 Ų | 51.4 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 149 | 175.8 | -61.7 | -7.5 | 0 | 0 | 0 | 110.8 | Q80 C93 | Q80-N91 PolarHBondContact NE2-OD1 2.86Å; N91-C93 PolarHBondContact O-N 3.22Å |
| 92 | K | 87.4 | Confident | 90.9 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -68.4 | 70.1 | 171.6 | -75.5 | 178.4 | 174.5 | 178.8 | 0 | 111.2 | P78 H79 L81 | P78-K92 VanDerWaalsContact O-CE 3.26Å; P78-K92 WeakPolarHBondContact O-CE 3.22Å; P78-K92 PolarHBondContact O-NZ 3.39Å; H79-K92 WeakPolarHBondContact O-CB 3.28Å; H79-K92 PolarHBondContact O-N 2.9Å; L81-K92 HydrophobicContact CD2-CD 4.28Å; L81-K92 HydrophobicContact CD2-CG 3.75Å; L81-K92 HydrophobicContact CG-CG 3.78Å |
| 93 | C | 84.6 | Confident | 90.9 | Very high | 49 Ų | 49 | 55.9 Ų | 55.9 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | trans | -141.6 | 129.6 | 178.9 | -49.1 | 0 | 0 | 0 | 0 | 108.8 | N91 E95 H96 V97 | N91-C93 PolarHBondContact O-N 3.22Å; C93-E95 VanDerWaalsContact C-N 3.35Å; C93-E95 PolarHBondContact O-N 3.21Å; C93-H96 HydrophobicContact CB-CB 4.31Å; C93-H96 PolarHBondContact O-N 3.4Å; C93-V97 PolarHBondContact O-N 3.12Å | ||
| 94 | P | 87.4 | Confident | 90.9 | Very high | 24 Ų | 24 | 65.2 Ų | 65.2 | 16% | 0.156 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | -174.4 | 22.2 | -33.6 | 0 | 0 | 0 | 112.7 | P60 F62 H96 V97 L98 | P60-P94 HydrophobicContact CG-CG 4.24Å; F62-P94 HydrophobicContact CB-CB 3.97Å; F62-P94 HydrophobicContact CB-CG 4.43Å; F62-P94 HydrophobicContact CD1-CB 3.86Å; F62-P94 HydrophobicContact CD2-CB 3.68Å; F62-P94 HydrophobicContact CE1-CB 4.2Å; F62-P94 HydrophobicContact CE2-CB 4.05Å; F62-P94 HydrophobicContact CG-CB 3.56Å; F62-P94 HydrophobicContact CZ-CB 4.29Å; P94-H96 PolarHBondContact O-N 3.3Å; P94-H96 VanDerWaalsContact O-N 3.08Å; P94-V97 PolarHBondContact O-N 3.14Å; P94-V97 VanDerWaalsContact O-N 3.14Å; P94-L98 WeakPolarHBondContact O-CG 3.38Å; P94-L98 PolarHBondContact O-N 3.32Å |
| 95 | E | 87.2 | Confident | 90.9 | Very high | 99 Ų | 99 | 66.7 Ų | 66.7 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.8 | -26.8 | 175.8 | -63.2 | -170.2 | -174.2 | 0 | 0 | 113.9 | C93 R99 | C93-E95 VanDerWaalsContact C-N 3.35Å; C93-E95 PolarHBondContact O-N 3.21Å; E95-R99 WeakPolarHBondContact O-CB 3.41Å; E95-R99 PolarHBondContact O-N 2.84Å; E95-R99 IonicContact OE2-NH2 2.66Å |
| 96 | H | 90.8 | Very high | 91 | Very high | 64 Ų | 64 | 67.2 Ų | 67.2 | 30% | 0.296 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -89.6 | -30.5 | -179.6 | -71.2 | 178.3 | 0 | 0 | 0 | 112.5 | I90 C93 P94 R99 H100 | I90-H96 HydrophobicContact CG2-CB 3.95Å; C93-H96 HydrophobicContact CB-CB 4.31Å; C93-H96 PolarHBondContact O-N 3.4Å; P94-H96 PolarHBondContact O-N 3.3Å; P94-H96 VanDerWaalsContact O-N 3.08Å; H96-R99 PolarHBondContact CD2-NH1 3.17Å; H96-R99 PolarHBondContact NE2-NH1 2.77Å; H96-H100 WeakPolarHBondContact O-CB 3.43Å; H96-H100 PolarHBondContact O-N 2.97Å; H96-H100 VanDerWaalsContact O-N 3.17Å |
| 97 | V | 90.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.5 | -53.5 | 171.6 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | F62 F64 F67 I71 L81 I90 C93 P94 R99 H100 T101 | F62-V97 HydrophobicContact CE1-CG1 4.46Å; F64-V97 HydrophobicContact CD1-CG2 4.05Å; F64-V97 HydrophobicContact CE1-CG2 3.85Å; F67-V97 HydrophobicContact CD1-CG1 4.2Å; F67-V97 HydrophobicContact CD2-CG1 3.89Å; F67-V97 HydrophobicContact CE1-CG1 4.45Å; F67-V97 HydrophobicContact CE2-CG1 4.18Å; F67-V97 HydrophobicContact CG-CG1 3.91Å; F67-V97 HydrophobicContact CZ-CG1 4.45Å; I71-V97 HydrophobicContact CD1-CG1 4.05Å; L81-V97 HydrophobicContact CD1-CG2 3.74Å; I90-V97 HydrophobicContact CG2-CG2 4.45Å; C93-V97 PolarHBondContact O-N 3.12Å; P94-V97 PolarHBondContact O-N 3.14Å; P94-V97 VanDerWaalsContact O-N 3.14Å; V97-R99 VanDerWaalsContact C-N 3.35Å; V97-R99 PolarHBondContact O-N 2.92Å; V97-H100 WeakPolarHBondContact O-CA 3.38Å; V97-H100 WeakPolarHBondContact O-CB 3.42Å; V97-H100 PolarHBondContact O-N 3.17Å; V97-T101 HydrophobicContact CG1-CG2 4.42Å; V97-T101 PolarHBondContact O-N 3.01Å; V97-T101 PolarHBondContact O-OG1 3.31Å |
| 98 | L | 90.3 | Very high | 91.4 | Very high | 63 Ų | 63 | 77 Ų | 77 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 179.2 | -65.6 | 171.1 | 0 | 0 | 0 | 112.3 | F62 F67 P94 H100 T101 Q102 | F62-L98 HydrophobicContact CE2-CD1 4.19Å; F62-L98 HydrophobicContact CE2-CD2 4.36Å; F62-L98 HydrophobicContact CE2-CG 4.35Å; F62-L98 HydrophobicContact CZ-CD1 4.41Å; F62-L98 HydrophobicContact CZ-CD2 4.04Å; F62-L98 HydrophobicContact CZ-CG 4.08Å; F67-L98 HydrophobicContact CZ-CD2 4.15Å; P94-L98 WeakPolarHBondContact O-CG 3.38Å; P94-L98 PolarHBondContact O-N 3.32Å; L98-H100 PolarHBondContact O-N 3.1Å; L98-T101 PolarHBondContact O-N 2.97Å; L98-T101 PolarHBondContact O-OG1 3.22Å; L98-Q102 VanDerWaalsContact O-CB 3.28Å; L98-Q102 WeakPolarHBondContact O-CB 3.38Å; L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.42Å; L98-Q102 PolarHBondContact O-N 3.29Å |
| 99 | R | 93.1 | Very high | 91.5 | Very high | 149 Ų | 149 | 72 Ų | 72 | 56% | 0.562 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.5 | -23 | 175.7 | -166.8 | -172.3 | -51.2 | 151.7 | 9.3 | 113.1 | E95 H96 V97 | E95-R99 WeakPolarHBondContact O-CB 3.41Å; E95-R99 PolarHBondContact O-N 2.84Å; E95-R99 IonicContact OE2-NH2 2.66Å; H96-R99 PolarHBondContact CD2-NH1 3.17Å; H96-R99 PolarHBondContact NE2-NH1 2.77Å; V97-R99 VanDerWaalsContact C-N 3.35Å; V97-R99 PolarHBondContact O-N 2.92Å |
| 100 | H | 94.8 | Very high | 91.5 | Very high | 19 Ų | 19 | 70.7 Ų | 70.7 | 9% | 0.088 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -79.6 | -48.4 | 172.5 | -175.3 | 65.8 | 0 | 0 | 0 | 111.6 | C83 T86 I90 H96 V97 L98 G103 Y106 | C83-H100 PolarHBondContact SG-NE2 2.81Å; T86-H100 PolarHBondContact OG1-CE1 3.07Å; T86-H100 VanDerWaalsContact OG1-CE1 3.24Å; T86-H100 PolarHBondContact OG1-NE2 3.13Å; I90-H100 HydrophobicContact CD1-CB 3.89Å; I90-H100 WeakPolarHBondContact CD1-CD2 3.19Å; H96-H100 WeakPolarHBondContact O-CB 3.43Å; H96-H100 PolarHBondContact O-N 2.97Å; H96-H100 VanDerWaalsContact O-N 3.17Å; V97-H100 WeakPolarHBondContact O-CA 3.38Å; V97-H100 WeakPolarHBondContact O-CB 3.42Å; V97-H100 PolarHBondContact O-N 3.17Å; L98-H100 PolarHBondContact O-N 3.1Å; H100-G103 WeakPolarHBondContact O-CA 3.13Å; H100-G103 PolarHBondContact O-N 3.48Å; H100-Y106 AromaticContact CD2-CD2 3.66Å; H100-Y106 AromaticContact NE2-CD2 3.46Å; H100-Y106 WeakPolarHBondContact NE2-CD2 3.31Å; H100-Y106 WeakPolarHBondContact O-CB 3.28Å |
| 101 | T | 92.2 | Very high | 91.5 | Very high | 22 Ų | 22 | 73.1 Ų | 73.1 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.1 | -40.9 | -175.2 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | F67 I71 V97 L98 G103 Y106 | F67-T101 HydrophobicContact CD1-CG2 3.74Å; F67-T101 HydrophobicContact CE1-CG2 4.05Å; I71-T101 HydrophobicContact CD1-CG2 3.58Å; V97-T101 HydrophobicContact CG1-CG2 4.42Å; V97-T101 PolarHBondContact O-N 3.01Å; V97-T101 PolarHBondContact O-OG1 3.31Å; L98-T101 PolarHBondContact O-N 2.97Å; L98-T101 PolarHBondContact O-OG1 3.22Å; T101-G103 PolarHBondContact O-N 3.18Å; T101-Y106 VanDerWaalsContact CA-CD1 3.47Å; T101-Y106 HydrophobicContact CG2-CD1 4.23Å; T101-Y106 HydrophobicContact CG2-CE1 3.86Å; T101-Y106 WeakPolarHBondContact O-CD1 3.28Å |
| 102 | Q | 92.6 | Very high | 91.5 | Very high | 137 Ų | 137 | 75 Ų | 75 | 64% | 0.64 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -4.4 | 170.8 | -60.7 | 170.6 | -2.4 | 0 | 0 | 112.7 | L98 | L98-Q102 VanDerWaalsContact O-CB 3.28Å; L98-Q102 WeakPolarHBondContact O-CB 3.38Å; L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.42Å; L98-Q102 PolarHBondContact O-N 3.29Å |
| 103 | G | 94 | Very high | 91.7 | Very high | 22 Ų | 22 | 73.9 Ų | 73.9 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -81 | 134.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H100 T101 R105 Y106 Q107 | H100-G103 WeakPolarHBondContact O-CA 3.13Å; H100-G103 PolarHBondContact O-N 3.48Å; T101-G103 PolarHBondContact O-N 3.18Å; G103-R105 PolarHBondContact O-N 3.24Å; G103-Y106 PolarHBondContact O-N 3.33Å; G103-Q107 PolarHBondContact O-N 2.94Å; G103-Q107 VanDerWaalsContact O-N 3.16Å |
| 104 | R | 93.6 | Very high | 92.1 | Very high | 196 Ų | 196 | 75.5 Ų | 75.5 | 74% | 0.74 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -49.3 | -28.4 | 179.9 | -64.3 | -174.2 | 179.6 | -153.1 | -1.8 | 115.1 | R108 | R104-R108 VanDerWaalsContact O-CB 3.28Å; R104-R108 WeakPolarHBondContact O-CB 3.43Å; R104-R108 WeakPolarHBondContact O-CD 3.44Å; R104-R108 WeakPolarHBondContact O-CG 3.39Å; R104-R108 PolarHBondContact O-N 3.33Å; R104-R108 VanDerWaalsContact O-N 3.12Å |
| 105 | R | 91.6 | Very high | 92.4 | Very high | 133 Ų | 133 | 78.7 Ų | 78.7 | 50% | 0.502 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -73.3 | -33.2 | 176.3 | 177 | 171.6 | 168.6 | 161.5 | -5 | 112.9 | T86 G103 A109 | T86-R105 HydrophobicContact CG2-CG 4.13Å; T86-R105 PolarHBondContact O-NH2 2.93Å; G103-R105 PolarHBondContact O-N 3.24Å; R105-A109 WeakPolarHBondContact O-CB 3.37Å; R105-A109 PolarHBondContact O-N 2.96Å |
| 106 | Y | 93.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 75 Ų | 75 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -77.5 | -46.6 | 175.8 | -176.4 | -98.6 | 0 | 0 | 0 | 110.6 | H70 I71 L85 T86 H100 T101 G103 R108 A109 L110 | H70-Y106 HydrophobicContact CB-CE2 4.44Å; H70-Y106 WeakPolarHBondContact CB-OH 3.44Å; I71-Y106 HydrophobicContact CD1-CE2 4.35Å; I71-Y106 HydrophobicContact CG1-CE2 4.35Å; L85-Y106 HydrophobicContact CD1-CE2 3.95Å; T86-Y106 HydrophobicContact CG2-CD2 4.24Å; H100-Y106 AromaticContact CD2-CD2 3.66Å; H100-Y106 AromaticContact NE2-CD2 3.46Å; H100-Y106 WeakPolarHBondContact NE2-CD2 3.31Å; H100-Y106 WeakPolarHBondContact O-CB 3.28Å; T101-Y106 VanDerWaalsContact CA-CD1 3.47Å; T101-Y106 HydrophobicContact CG2-CD1 4.23Å; T101-Y106 HydrophobicContact CG2-CE1 3.86Å; T101-Y106 WeakPolarHBondContact O-CD1 3.28Å; G103-Y106 PolarHBondContact O-N 3.33Å; Y106-R108 PolarHBondContact O-N 3.31Å; Y106-A109 CarbonylContact O-C 3.56Å; Y106-A109 WeakPolarHBondContact O-CA 3.41Å; Y106-A109 WeakPolarHBondContact O-CB 3.28Å; Y106-A109 PolarHBondContact O-N 2.86Å; Y106-L110 HydrophobicContact CD1-CD1 3.76Å; Y106-L110 HydrophobicContact CD1-CG 4.17Å; Y106-L110 HydrophobicContact CE1-CD1 3.36Å; Y106-L110 HydrophobicContact CE1-CD2 4.46Å; Y106-L110 HydrophobicContact CE1-CG 3.83Å; Y106-L110 PolarHBondContact O-N 3.01Å |
| 107 | Q | 93.6 | Very high | 92.6 | Very high | 91 Ų | 91 | 77.7 Ų | 77.7 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.2 | -48.7 | 175.5 | -67 | 167.6 | -28.4 | 0 | 0 | 112 | G103 A109 L110 C111 | G103-Q107 PolarHBondContact O-N 2.94Å; G103-Q107 VanDerWaalsContact O-N 3.16Å; Q107-A109 PolarHBondContact O-N 3.41Å; Q107-L110 PolarHBondContact O-N 3.06Å; Q107-C111 PolarHBondContact O-N 3.08Å; Q107-C111 PolarHBondContact O-SG 3.22Å |
| 108 | R | 93.6 | Very high | 92.7 | Very high | 181 Ų | 181 | 86 Ų | 86 | 68% | 0.683 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.8 | -18.7 | 174 | -73.5 | 173.9 | 173.3 | -169.1 | -4.8 | 114.5 | R104 Y106 K112 | R104-R108 VanDerWaalsContact O-CB 3.28Å; R104-R108 WeakPolarHBondContact O-CB 3.43Å; R104-R108 WeakPolarHBondContact O-CD 3.44Å; R104-R108 WeakPolarHBondContact O-CG 3.39Å; R104-R108 PolarHBondContact O-N 3.33Å; R104-R108 VanDerWaalsContact O-N 3.12Å; Y106-R108 PolarHBondContact O-N 3.31Å; R108-K112 WeakPolarHBondContact O-CG 3.37Å |
| 109 | A | 93.2 | Very high | 92.7 | Very high | 6 Ų | 6 | 89.7 Ų | 89.7 | 5% | 0.05 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -85.9 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L85 T86 R105 Y106 Q107 Y113 Y123 | L85-A109 HydrophobicContact CB-CB 3.94Å; T86-A109 HydrophobicContact CG2-CB 3.97Å; R105-A109 WeakPolarHBondContact O-CB 3.37Å; R105-A109 PolarHBondContact O-N 2.96Å; Y106-A109 CarbonylContact O-C 3.56Å; Y106-A109 WeakPolarHBondContact O-CA 3.41Å; Y106-A109 WeakPolarHBondContact O-CB 3.28Å; Y106-A109 PolarHBondContact O-N 2.86Å; Q107-A109 PolarHBondContact O-N 3.41Å; A109-Y113 VanDerWaalsContact O-CB 3.31Å; A109-Y113 WeakPolarHBondContact O-CB 3.26Å; A109-Y113 PolarHBondContact O-N 3.35Å; A109-Y123 WeakPolarHBondContact CA-OH 3.14Å; A109-Y123 WeakPolarHBondContact CB-OH 3.4Å |
| 110 | L | 93.3 | Very high | 92.5 | Very high | 40 Ų | 40 | 86.1 Ų | 86.1 | 21% | 0.209 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.9 | -56.1 | 171.3 | -84.1 | 174.7 | 0 | 0 | 0 | 112.1 | L85 Y106 Q107 K112 Y113 E114 | L85-L110 HydrophobicContact CD1-CD2 3.54Å; L85-L110 HydrophobicContact CD1-CG 3.84Å; Y106-L110 HydrophobicContact CD1-CD1 3.76Å; Y106-L110 HydrophobicContact CD1-CG 4.17Å; Y106-L110 HydrophobicContact CE1-CD1 3.36Å; Y106-L110 HydrophobicContact CE1-CD2 4.46Å; Y106-L110 HydrophobicContact CE1-CG 3.83Å; Y106-L110 PolarHBondContact O-N 3.01Å; Q107-L110 PolarHBondContact O-N 3.06Å; L110-K112 PolarHBondContact O-N 2.95Å; L110-K112 VanDerWaalsContact O-N 3.16Å; L110-Y113 CarbonylContact O-C 3.52Å; L110-Y113 WeakPolarHBondContact O-CA 3.43Å; L110-Y113 WeakPolarHBondContact O-CB 3.49Å; L110-Y113 PolarHBondContact O-N 3.37Å; L110-E114 WeakPolarHBondContact O-CG 3.42Å; L110-E114 PolarHBondContact O-N 3.35Å |
| 111 | C | 92.4 | Very high | 92.1 | Very high | 63 Ų | 63 | 88.9 Ų | 88.9 | 43% | 0.426 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55.6 | -41.7 | -178.2 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | Q107 E114 E115 | Q107-C111 PolarHBondContact O-N 3.08Å; Q107-C111 PolarHBondContact O-SG 3.22Å; C111-E114 PolarHBondContact O-N 3.31Å; C111-E115 WeakPolarHBondContact O-CB 3.43Å; C111-E115 WeakPolarHBondContact O-CG 3.38Å; C111-E115 PolarHBondContact O-N 3.26Å |
| 112 | K | 91.6 | Very high | 91.7 | Very high | 111 Ų | 111 | 96.1 Ų | 96.1 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.1 | -30.7 | 175.1 | -73.6 | -174.7 | 162.7 | -67.9 | 0 | 114 | R108 L110 C116 Y123 | R108-K112 WeakPolarHBondContact O-CG 3.37Å; L110-K112 PolarHBondContact O-N 2.95Å; L110-K112 VanDerWaalsContact O-N 3.16Å; K112-C116 WeakPolarHBondContact O-CB 3.47Å; K112-C116 PolarHBondContact O-N 3.24Å; K112-C116 PolarHBondContact O-SG 3.25Å; K112-Y123 HydrophobicContact CB-CD2 4.39Å; K112-Y123 HydrophobicContact CB-CE2 3.69Å |
| 113 | Y | 92.4 | Very high | 91.5 | Very high | 68 Ų | 68 | 91.1 Ų | 91.1 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.1 | -40.8 | 173.9 | 179.4 | -97.2 | 0 | 0 | 0 | 111 | H70 L85 A109 L110 C116 Q117 Y123 | H70-Y113 AromaticContact CE1-CD1 3.85Å; H70-Y113 AromaticContact CE1-CE1 3.61Å; L85-Y113 HydrophobicContact CD2-CD1 4.3Å; L85-Y113 HydrophobicContact CD2-CD2 3.55Å; L85-Y113 HydrophobicContact CD2-CE2 4.22Å; L85-Y113 HydrophobicContact CD2-CG 3.62Å; A109-Y113 VanDerWaalsContact O-CB 3.31Å; A109-Y113 WeakPolarHBondContact O-CB 3.26Å; A109-Y113 PolarHBondContact O-N 3.35Å; L110-Y113 CarbonylContact O-C 3.52Å; L110-Y113 WeakPolarHBondContact O-CA 3.43Å; L110-Y113 WeakPolarHBondContact O-CB 3.49Å; L110-Y113 PolarHBondContact O-N 3.37Å; Y113-C116 PolarHBondContact O-N 2.92Å; Y113-Q117 HydrophobicContact CD1-CG 4.45Å; Y113-Q117 HydrophobicContact CE1-CG 4.05Å; Y113-Q117 WeakPolarHBondContact O-CG 3.38Å; Y113-Q117 PolarHBondContact O-N 3.17Å; Y113-Q117 PolarHBondContact OH-NE2 2.94Å; Y113-Q117 VanDerWaalsContact OH-NE2 3.1Å; Y113-Y123 AromaticContact CD2-CD1 3.94Å; Y113-Y123 HydrophobicContact CD2-CD1 3.94Å; Y113-Y123 HydrophobicContact CD2-CD2 4.3Å; Y113-Y123 AromaticContact CD2-CG 3.67Å; Y113-Y123 HydrophobicContact CD2-CG 3.67Å; Y113-Y123 HydrophobicContact CG-CG 4.43Å |
| 114 | E | 93.1 | Very high | 91 | Very high | 83 Ų | 83 | 93.3 Ų | 93.3 | 39% | 0.388 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 172.8 | -63.9 | 160.7 | -140.5 | 0 | 0 | 112.2 | L110 C111 K118 | L110-E114 WeakPolarHBondContact O-CG 3.42Å; L110-E114 PolarHBondContact O-N 3.35Å; C111-E114 PolarHBondContact O-N 3.31Å; E114-K118 WeakPolarHBondContact O-CB 3.29Å; E114-K118 WeakPolarHBondContact O-CD 3.21Å; E114-K118 VanDerWaalsContact O-CG 3.26Å; E114-K118 WeakPolarHBondContact O-CG 3.39Å; E114-K118 PolarHBondContact O-N 3.31Å |
| 115 | E | 93.2 | Very high | 90.6 | Very high | 91 Ų | 91 | 84.6 Ų | 84.6 | 43% | 0.425 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.8 | -50.9 | 170.6 | -73.9 | 156.7 | -153.7 | 0 | 0 | 110.8 | C111 K118 Q119 | C111-E115 WeakPolarHBondContact O-CB 3.43Å; C111-E115 WeakPolarHBondContact O-CG 3.38Å; C111-E115 PolarHBondContact O-N 3.26Å; E115-K118 PolarHBondContact O-N 3.02Å; E115-Q119 WeakPolarHBondContact O-CG 3.42Å; E115-Q119 PolarHBondContact O-N 3.04Å; E115-Q119 VanDerWaalsContact O-N 3.09Å |
| 116 | C | 91.4 | Very high | 90.1 | Very high | 23 Ų | 23 | 80.8 Ų | 80.8 | 16% | 0.155 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 178.3 | -73 | 0 | 0 | 0 | 0 | 112.7 | K112 Y113 K118 Q119 G120 V121 Y123 | K112-C116 WeakPolarHBondContact O-CB 3.47Å; K112-C116 PolarHBondContact O-N 3.24Å; K112-C116 PolarHBondContact O-SG 3.25Å; Y113-C116 PolarHBondContact O-N 2.92Å; C116-K118 PolarHBondContact O-N 3.38Å; C116-Q119 CarbonylContact O-C 3.42Å; C116-Q119 PolarHBondContact O-N 3.38Å; C116-G120 PolarHBondContact O-N 2.94Å; C116-V121 HydrophobicContact CB-CG2 3.89Å; C116-V121 PolarHBondContact O-N 2.89Å; C116-Y123 HydrophobicContact CB-CD2 4.42Å |
| 117 | Q | 90.2 | Very high | 89.4 | Confident | 120 Ų | 120 | 82.2 Ų | 82.2 | 56% | 0.561 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.6 | -46 | 174.6 | -81.4 | -164.9 | -14.3 | 0 | 0 | 112 | Y113 Q119 G120 | Y113-Q117 HydrophobicContact CD1-CG 4.45Å; Y113-Q117 HydrophobicContact CE1-CG 4.05Å; Y113-Q117 WeakPolarHBondContact O-CG 3.38Å; Y113-Q117 PolarHBondContact O-N 3.17Å; Y113-Q117 PolarHBondContact OH-NE2 2.94Å; Y113-Q117 VanDerWaalsContact OH-NE2 3.1Å; Q117-Q119 PolarHBondContact O-N 2.76Å; Q117-G120 PolarHBondContact O-N 3.49Å; Q117-G120 VanDerWaalsContact O-N 3.12Å |
| 118 | K | 92.8 | Very high | 88.7 | Confident | 175 Ų | 175 | 81.6 Ų | 81.6 | 76% | 0.761 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.6 | -27.3 | 177.5 | -71.9 | 164.8 | -174.8 | 166.7 | 0 | 113 | E114 E115 C116 | E114-K118 WeakPolarHBondContact O-CB 3.29Å; E114-K118 WeakPolarHBondContact O-CD 3.21Å; E114-K118 VanDerWaalsContact O-CG 3.26Å; E114-K118 WeakPolarHBondContact O-CG 3.39Å; E114-K118 PolarHBondContact O-N 3.31Å; E115-K118 PolarHBondContact O-N 3.02Å; C116-K118 PolarHBondContact O-N 3.38Å |
| 119 | Q | 90.3 | Very high | 88 | Confident | 139 Ų | 139 | 75.5 Ų | 75.5 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -90.2 | -6.9 | 176.9 | -70.4 | 172.3 | -3.3 | 0 | 0 | 113.5 | E115 C116 Q117 V121 | E115-Q119 WeakPolarHBondContact O-CG 3.42Å; E115-Q119 PolarHBondContact O-N 3.04Å; E115-Q119 VanDerWaalsContact O-N 3.09Å; C116-Q119 CarbonylContact O-C 3.42Å; C116-Q119 PolarHBondContact O-N 3.38Å; Q117-Q119 PolarHBondContact O-N 2.76Å; Q119-V121 HydrophobicContact CB-CG1 4.37Å; Q119-V121 HydrophobicContact CB-CG2 3.99Å; Q119-V121 PolarHBondContact O-N 2.98Å |
| 120 | G | 88.3 | Confident | 87.2 | Confident | 74 Ų | 74 | 81.6 Ų | 81.6 | 76% | 0.763 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 15.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | C116 Q117 | C116-G120 PolarHBondContact O-N 2.94Å; Q117-G120 PolarHBondContact O-N 3.49Å; Q117-G120 VanDerWaalsContact O-N 3.12Å |
| 121 | V | 86.9 | Confident | 86.3 | Confident | 77 Ų | 77 | 89.6 Ų | 89.6 | 47% | 0.467 | 46% | 0.46 | S | S | . | . | trans | -102.2 | 152.2 | -175.8 | -60 | 0 | 0 | 0 | 0 | 112.3 | C116 Q119 Y123 | C116-V121 HydrophobicContact CB-CG2 3.89Å; C116-V121 PolarHBondContact O-N 2.89Å; Q119-V121 HydrophobicContact CB-CG1 4.37Å; Q119-V121 HydrophobicContact CB-CG2 3.99Å; Q119-V121 PolarHBondContact O-N 2.98Å; V121-Y123 PolarHBondContact O-N 2.85Å | ||
| 122 | E | 84.8 | Confident | 85.3 | Confident | 175 Ų | 175 | 94.8 Ų | 94.8 | 82% | 0.818 | 47% | 0.47 | S | S | * | . | trans | -66.5 | 128.3 | 177.2 | -165.7 | -170.5 | 168.5 | 0 | 0 | 111.3 | V124 | E122-V124 PolarHBondContact O-N 2.87Š| ||
| 123 | Y | 86.5 | Confident | 84.3 | Confident | 31 Ų | 31 | 96.9 Ų | 96.9 | 12% | 0.122 | 48% | 0.475 | C | S | . | . | trans | -72.4 | 109.8 | 174.7 | 175.1 | -100 | 0 | 0 | 0 | 111.5 | L85 A109 K112 Y113 C116 V121 P125 | L85-Y123 HydrophobicContact CD2-CD1 4.32Å; L85-Y123 HydrophobicContact CD2-CE1 4.17Å; L85-Y123 PolarHBondContact O-OH 2.89Å; A109-Y123 WeakPolarHBondContact CA-OH 3.14Å; A109-Y123 WeakPolarHBondContact CB-OH 3.4Å; K112-Y123 HydrophobicContact CB-CD2 4.39Å; K112-Y123 HydrophobicContact CB-CE2 3.69Å; Y113-Y123 AromaticContact CD2-CD1 3.94Å; Y113-Y123 HydrophobicContact CD2-CD1 3.94Å; Y113-Y123 HydrophobicContact CD2-CD2 4.3Å; Y113-Y123 AromaticContact CD2-CG 3.67Å; Y113-Y123 HydrophobicContact CD2-CG 3.67Å; Y113-Y123 HydrophobicContact CG-CG 4.43Å; C116-Y123 HydrophobicContact CB-CD2 4.42Å; V121-Y123 PolarHBondContact O-N 2.85Å; Y123-P125 HydrophobicContact CD1-CG 4.21Å; Y123-P125 HydrophobicContact CE1-CB 4.21Å; Y123-P125 HydrophobicContact CE1-CG 3.84Å; Y123-P125 WeakPolarHBondContact O-CD 3.42Å | ||
| 124 | V | 83.5 | Confident | 83.4 | Confident | 68 Ų | 68 | 99.6 Ų | 99.6 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | trans | -92.4 | 113.7 | 173.6 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | E122 A126 L128 V129 | E122-V124 PolarHBondContact O-N 2.87Å; V124-A126 PolarHBondContact O-N 3.22Å; V124-L128 HydrophobicContact CG1-CB 4.11Å; V124-V129 HydrophobicContact CB-CG2 4.37Å; V124-V129 HydrophobicContact CG1-CG2 3.76Å | ||
| 125 | P | 85.6 | Confident | 82.3 | Confident | 13 Ų | 13 | 104 Ų | 104 | 8% | 0.084 | 50% | 0.502 | C | S | . | . | trans | -58.2 | 134.2 | 177.5 | -26.3 | 35.4 | 0 | 0 | 0 | 112.4 | L87 Y123 C127 L128 | L87-P125 HydrophobicContact CD1-CB 3.82Å; L87-P125 HydrophobicContact CD1-CG 3.89Å; L87-P125 HydrophobicContact CD2-CG 4.19Å; L87-P125 HydrophobicContact CG-CB 3.83Å; L87-P125 HydrophobicContact CG-CG 3.84Å; Y123-P125 HydrophobicContact CD1-CG 4.21Å; Y123-P125 HydrophobicContact CE1-CB 4.21Å; Y123-P125 HydrophobicContact CE1-CG 3.84Å; Y123-P125 WeakPolarHBondContact O-CD 3.42Å; P125-C127 PolarHBondContact O-N 2.89Å; P125-L128 WeakPolarHBondContact O-CB 3.49Å; P125-L128 PolarHBondContact O-N 2.66Å | ||
| 126 | A | 81.4 | Confident | 81.3 | Confident | 54 Ų | 54 | 104 Ų | 104 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -53.9 | -29.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V124 L128 V129 H130 | V124-A126 PolarHBondContact O-N 3.22Å; A126-L128 VanDerWaalsContact C-N 3.29Å; A126-L128 PolarHBondContact O-N 2.75Å; A126-V129 PolarHBondContact O-N 3.07Å; A126-H130 PolarHBondContact O-N 2.92Å; A126-H130 VanDerWaalsContact O-N 3.14Å; A126-H130 PolarHBondContact O-ND1 3.15Å |
| 127 | C | 78.3 | Confident | 80.3 | Confident | 44 Ų | 44 | 108.4 Ų | 108.4 | 30% | 0.297 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.5 | -18.4 | 177.7 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | P125 | P125-C127 PolarHBondContact O-N 2.89Å |
| 128 | L | 79.5 | Confident | 79.2 | Confident | 78 Ų | 78 | 108.8 Ų | 108.8 | 41% | 0.408 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -79.2 | -43.5 | 168.3 | -57.8 | -174.5 | 0 | 0 | 0 | 110.8 | L87 V124 P125 A126 H130 R131 R132 | L87-L128 HydrophobicContact CD1-CD1 3.95Å; L87-L128 HydrophobicContact CD1-CD2 3.79Å; L87-L128 HydrophobicContact CD1-CG 3.72Å; V124-L128 HydrophobicContact CG1-CB 4.11Å; P125-L128 WeakPolarHBondContact O-CB 3.49Å; P125-L128 PolarHBondContact O-N 2.66Å; A126-L128 VanDerWaalsContact C-N 3.29Å; A126-L128 PolarHBondContact O-N 2.75Å; L128-H130 VanDerWaalsContact C-N 3.35Å; L128-H130 PolarHBondContact O-N 3.07Å; L128-R131 WeakPolarHBondContact O-CA 3.32Å; L128-R131 WeakPolarHBondContact O-CB 3.37Å; L128-R131 PolarHBondContact O-N 3.29Å; L128-R132 PolarHBondContact O-N 3.5Å |
| 129 | V | 79.6 | Confident | 77.8 | Confident | 52 Ų | 52 | 107.5 Ų | 107.5 | 32% | 0.315 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | V124 A126 R131 R132 R133 | V124-V129 HydrophobicContact CB-CG2 4.37Å; V124-V129 HydrophobicContact CG1-CG2 3.76Å; A126-V129 PolarHBondContact O-N 3.07Å; V129-R131 PolarHBondContact O-N 3.28Å; V129-R132 PolarHBondContact O-N 3.11Å; V129-R133 PolarHBondContact O-N 3.35Å |
| 130 | H | 75.3 | Confident | 76.5 | Confident | 135 Ų | 135 | 107.5 Ų | 107.5 | 63% | 0.625 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.1 | -21.9 | 178.1 | -67.6 | 67.3 | 0 | 0 | 0 | 113 | A126 L128 K134 | A126-H130 PolarHBondContact O-N 2.92Å; A126-H130 VanDerWaalsContact O-N 3.14Å; A126-H130 PolarHBondContact O-ND1 3.15Å; L128-H130 VanDerWaalsContact C-N 3.35Å; L128-H130 PolarHBondContact O-N 3.07Å; H130-K134 PolarHBondContact O-N 3.31Å |
| 131 | R | 74.6 | Confident | 75.2 | Confident | 207 Ų | 207 | 106.3 Ų | 106.3 | 78% | 0.781 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -81.6 | -28 | 174.6 | -95.3 | -172.9 | 162.2 | -155.5 | -6.5 | 113.2 | L128 V129 | L128-R131 WeakPolarHBondContact O-CA 3.32Å; L128-R131 WeakPolarHBondContact O-CB 3.37Å; L128-R131 PolarHBondContact O-N 3.29Å; V129-R131 PolarHBondContact O-N 3.28Å |
| 132 | R | 71.9 | Confident | 73.8 | Confident | 173 Ų | 173 | 110.9 Ų | 110.9 | 65% | 0.653 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.1 | -53.8 | 171.4 | -74.1 | -165.9 | -177.7 | -173.4 | 1.9 | 110.7 | L128 V129 K134 R135 E136 | L128-R132 PolarHBondContact O-N 3.5Å; V129-R132 PolarHBondContact O-N 3.11Å; R132-K134 PolarHBondContact O-N 3.04Å; R132-R135 WeakPolarHBondContact O-CA 3.36Å; R132-R135 WeakPolarHBondContact O-CB 3.49Å; R132-R135 PolarHBondContact O-N 3.36Å; R132-E136 VanDerWaalsContact C-CD 3.47Å; R132-E136 WeakPolarHBondContact CB-OE1 3.38Å; R132-E136 VanDerWaalsContact O-CD 3.3Å; R132-E136 PolarHBondContact O-N 3.18Å |
| 133 | R | 71.5 | Confident | 72.7 | Confident | 155 Ų | 155 | 105 Ų | 105 | 59% | 0.585 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -50.7 | -53.2 | 176.5 | -68.3 | -177.2 | -179 | -168.6 | -4.2 | 113 | V129 R135 E136 D137 | V129-R133 PolarHBondContact O-N 3.35Å; R133-R135 PolarHBondContact O-N 2.89Å; R133-E136 VanDerWaalsContact CA-OE2 3.24Å; R133-E136 WeakPolarHBondContact CA-OE2 3.21Å; R133-E136 PolarHBondContact N-OE2 3.47Å; R133-E136 CarbonylContact O-C 3.54Å; R133-E136 WeakPolarHBondContact O-CA 3.35Å; R133-E136 WeakPolarHBondContact O-CB 3.45Å; R133-E136 PolarHBondContact O-N 3.09Å; R133-D137 WeakPolarHBondContact O-CB 3.28Å; R133-D137 PolarHBondContact O-N 3.07Å |
| 134 | K | 72.6 | Confident | 71.2 | Confident | 125 Ų | 125 | 108.3 Ų | 108.3 | 54% | 0.543 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.5 | -24.8 | 176.9 | 178 | 164.6 | 179.7 | 171.8 | 0 | 113.8 | H130 R132 D137 Q138 | H130-K134 PolarHBondContact O-N 3.31Å; R132-K134 PolarHBondContact O-N 3.04Å; K134-D137 WeakPolarHBondContact CA-OD2 3.29Å; K134-D137 PolarHBondContact N-OD2 3.04Å; K134-Q138 HydrophobicContact CG-CG 4.48Å; K134-Q138 WeakPolarHBondContact O-CB 3.29Å; K134-Q138 VanDerWaalsContact O-CD 3.31Å; K134-Q138 WeakPolarHBondContact O-CG 3.49Å; K134-Q138 PolarHBondContact O-NE2 3.46Å |
| 135 | R | 70.3 | Confident | 70.1 | Confident | 175 Ų | 175 | 107.5 Ų | 107.5 | 66% | 0.66 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -75 | -46.6 | 172.1 | 175.6 | 176.6 | -80.3 | -99.1 | 1.6 | 110.9 | R132 R133 Q138 M139 | R132-R135 WeakPolarHBondContact O-CA 3.36Å; R132-R135 WeakPolarHBondContact O-CB 3.49Å; R132-R135 PolarHBondContact O-N 3.36Å; R133-R135 PolarHBondContact O-N 2.89Å; R135-Q138 PolarHBondContact O-N 2.77Å; R135-M139 WeakPolarHBondContact O-CB 3.3Å; R135-M139 PolarHBondContact O-N 3.01Å |
| 136 | E | 72.6 | Confident | 68.8 | Low | 92 Ų | 92 | 112.8 Ų | 112.8 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -57.1 | -54.5 | 175.2 | -66.8 | 136.8 | -160.5 | 0 | 0 | 110.3 | R132 R133 Q138 M139 D140 | R132-E136 VanDerWaalsContact C-CD 3.47Å; R132-E136 WeakPolarHBondContact CB-OE1 3.38Å; R132-E136 VanDerWaalsContact O-CD 3.3Å; R132-E136 PolarHBondContact O-N 3.18Å; R133-E136 VanDerWaalsContact CA-OE2 3.24Å; R133-E136 WeakPolarHBondContact CA-OE2 3.21Å; R133-E136 PolarHBondContact N-OE2 3.47Å; R133-E136 CarbonylContact O-C 3.54Å; R133-E136 WeakPolarHBondContact O-CA 3.35Å; R133-E136 WeakPolarHBondContact O-CB 3.45Å; R133-E136 PolarHBondContact O-N 3.09Å; E136-Q138 PolarHBondContact O-N 3.15Å; E136-M139 PolarHBondContact O-N 3.36Å; E136-D140 PolarHBondContact O-N 3.06Å |
| 137 | D | 70.5 | Confident | 67.6 | Low | 115 Ų | 115 | 119.8 Ų | 119.8 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -20.6 | 177 | -54.5 | -38.7 | 0 | 0 | 0 | 114.8 | R133 K134 | R133-D137 WeakPolarHBondContact O-CB 3.28Å; R133-D137 PolarHBondContact O-N 3.07Å; K134-D137 WeakPolarHBondContact CA-OD2 3.29Å; K134-D137 PolarHBondContact N-OD2 3.04Å |
| 138 | Q | 66.6 | Low | 66.6 | Low | 127 Ų | 127 | 122.7 Ų | 122.7 | 59% | 0.593 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 1.4 | 179 | -70.4 | 174.8 | 136.2 | 0 | 0 | 113 | K134 R135 E136 | K134-Q138 HydrophobicContact CG-CG 4.48Å; K134-Q138 WeakPolarHBondContact O-CB 3.29Å; K134-Q138 VanDerWaalsContact O-CD 3.31Å; K134-Q138 WeakPolarHBondContact O-CG 3.49Å; K134-Q138 PolarHBondContact O-NE2 3.46Å; R135-Q138 PolarHBondContact O-N 2.77Å; E136-Q138 PolarHBondContact O-N 3.15Å |
| 139 | M | 63.6 | Low | 65.7 | Low | 148 Ų | 148 | 122.4 Ų | 122.4 | 73% | 0.729 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | -33.7 | -175.1 | -154.8 | 132.2 | 164.9 | 0 | 0 | 111.1 | R135 E136 G141 | R135-M139 WeakPolarHBondContact O-CB 3.3Å; R135-M139 PolarHBondContact O-N 3.01Å; E136-M139 PolarHBondContact O-N 3.36Å; M139-G141 VanDerWaalsContact C-N 3.26Å |
| 140 | D | 62.3 | Low | 65 | Low | 140 Ų | 140 | 126.8 Ų | 126.8 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -81.8 | -5.3 | 166.3 | -57.3 | -65.2 | 0 | 0 | 0 | 112.6 | E136 D142 | E136-D140 PolarHBondContact O-N 3.06Å; D140-D142 PolarHBondContact O-N 3.41Å |
| 141 | G | 60.8 | Low | 64.6 | Low | 48 Ų | 48 | 130 Ų | 130 | 50% | 0.495 | 64% | 0.635 | S | S | . | * | trans | -89.1 | 58.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | M139 G143 | M139-G141 VanDerWaalsContact C-N 3.26Å; G141-G143 PolarHBondContact O-N 3.01Å | ||
| 142 | D | 56.8 | Low | 64.1 | Low | 173 Ų | 173 | 127 Ų | 127 | 93% | 0.925 | 63% | 0.63 | S | S | * | * | trans | -77.6 | 48 | -179.6 | -146.8 | -9.5 | 0 | 0 | 0 | 112.4 | D140 | D140-D142 PolarHBondContact O-N 3.41Š| ||
| 143 | G | 62.9 | Low | 63.7 | Low | 51 Ų | 51 | 124.6 Ų | 124.6 | 53% | 0.526 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -129.4 | 147 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G141 | G141-G143 PolarHBondContact O-N 3.01Š|
| 144 | P | 54.3 | Low | 63 | Low | 102 Ų | 102 | 123.7 Ų | 123.7 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | trans | -57 | 145.2 | -176.3 | 23.9 | -34.1 | 0 | 0 | 0 | 111.3 | ||||
| 145 | S | 59.8 | Low | 62.2 | Low | 50 Ų | 50 | 123.8 Ų | 123.8 | 35% | 0.35 | 67% | 0.666 | S | S | . | * | trans | -59.2 | 138.5 | -176.4 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | R147 E148 | S145-R147 PolarHBondContact O-N 3.38Å; S145-E148 WeakPolarHBondContact CA-OE2 3.46Å; S145-E148 VanDerWaalsContact CB-CD 3.41Å; S145-E148 WeakPolarHBondContact CB-OE2 3.46Å; S145-E148 PolarHBondContact N-OE2 3.41Å; S145-E148 PolarHBondContact O-N 3.5Å | ||
| 146 | P | 59.6 | Low | 61.3 | Low | 125 Ų | 125 | 120.3 Ų | 120.3 | 81% | 0.812 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 2.2 | 172 | -25.8 | 35.4 | 0 | 0 | 0 | 115.1 | ||
| 147 | R | 56.2 | Low | 60.5 | Low | 201 Ų | 201 | 123.9 Ų | 123.9 | 76% | 0.758 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -29.2 | 167.8 | -88.6 | -176.2 | 154.5 | -148.2 | -7.8 | 114.5 | S145 W151 | S145-R147 PolarHBondContact O-N 3.38Å; R147-W151 VanDerWaalsContact O-CD1 3.23Å |
| 148 | E | 57.5 | Low | 59.5 | Low | 104 Ų | 104 | 126.6 Ų | 126.6 | 49% | 0.486 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | -55.7 | -178.6 | -76.9 | 131.7 | -158.5 | 0 | 0 | 109.4 | S145 F150 W151 E152 | S145-E148 WeakPolarHBondContact CA-OE2 3.46Å; S145-E148 VanDerWaalsContact CB-CD 3.41Å; S145-E148 WeakPolarHBondContact CB-OE2 3.46Å; S145-E148 PolarHBondContact N-OE2 3.41Å; S145-E148 PolarHBondContact O-N 3.5Å; E148-F150 PolarHBondContact O-N 3.23Å; E148-W151 PolarHBondContact O-N 2.79Å; E148-E152 PolarHBondContact O-N 2.8Å |
| 149 | A | 60.2 | Low | 59.1 | Low | 72 Ų | 72 | 124.4 Ų | 124.4 | 60% | 0.595 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 150 | F | 65.6 | Low | 58.6 | Low | 145 Ų | 145 | 120.8 Ų | 120.8 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -22 | 169.7 | 179.1 | -96.1 | 0 | 0 | 0 | 112.8 | E148 | E148-F150 PolarHBondContact O-N 3.23Š|
| 151 | W | 65.5 | Low | 58.4 | Low | 201 Ų | 201 | 118.4 Ų | 118.4 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -17.5 | -177.2 | -67.9 | 116.6 | 0 | 0 | 0 | 114 | R147 E148 P153 | R147-W151 VanDerWaalsContact O-CD1 3.23Å; E148-W151 PolarHBondContact O-N 2.79Å; W151-P153 WeakPolarHBondContact O-CD 3.18Å |
| 152 | E | 65.1 | Low | 58.1 | Low | 144 Ų | 144 | 122.5 Ų | 122.5 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -79.8 | 120.2 | 175.3 | -66.6 | -180 | 159.4 | 0 | 0 | 110.8 | E148 T154 | E148-E152 PolarHBondContact O-N 2.8Å; E152-T154 PolarHBondContact O-N 3.49Å |
| 153 | P | 63.7 | Low | 58 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | -65.1 | 133.2 | 171 | -18.5 | 32.6 | 0 | 0 | 0 | 110.2 | W151 S155 | W151-P153 WeakPolarHBondContact O-CD 3.18Å; P153-S155 PolarHBondContact O-N 2.99Å; P153-S155 VanDerWaalsContact O-N 3.1Å | ||
| 154 | T | 56.2 | Low | 57.7 | Low | 136 Ų | 136 | 124.5 Ų | 124.5 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | -62.1 | 114.5 | 173.8 | 48.2 | 0 | 0 | 0 | 0 | 110 | E152 S156 | E152-T154 PolarHBondContact O-N 3.49Å; T154-S156 VanDerWaalsContact C-N 3.34Å; T154-S156 PolarHBondContact O-N 2.94Å | ||
| 155 | S | 55.3 | Low | 58.2 | Low | 127 Ų | 127 | 125.8 Ų | 125.8 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | -67.9 | 88.2 | 177.2 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | P153 | P153-S155 PolarHBondContact O-N 2.99Å; P153-S155 VanDerWaalsContact O-N 3.1Å | ||
| 156 | S | 52 | Low | 58.8 | Low | 103 Ų | 103 | 127.2 Ų | 127.2 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -96.3 | 110.4 | 174 | -165.9 | 0 | 0 | 0 | 0 | 109 | T154 E158 | T154-S156 VanDerWaalsContact C-N 3.34Å; T154-S156 PolarHBondContact O-N 2.94Å; S156-E158 PolarHBondContact O-N 3.4Å | ||
| 157 | D | 55.7 | Low | 59.7 | Low | 166 Ų | 166 | 126.6 Ų | 126.6 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -75.6 | 115.3 | 173.4 | -174.5 | 45.2 | 0 | 0 | 0 | 109.7 | ||||
| 158 | E | 49.9 | Very low | 60.2 | Low | 173 Ų | 173 | 120.5 Ų | 120.5 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | trans | -157.6 | 134.6 | 173.2 | -110.6 | -80.2 | 76.4 | 0 | 0 | 107.7 | S156 G160 | S156-E158 PolarHBondContact O-N 3.4Å; E158-G160 PolarHBondContact O-N 3.11Å | ||
| 159 | G | 57.8 | Low | 61.3 | Low | 81 Ų | 81 | 122.6 Ų | 122.6 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | trans | -76.2 | 70.4 | -161.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 160 | G | 52.6 | Low | 62.3 | Low | 71 Ų | 71 | 124.2 Ų | 124.2 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | trans | -71.9 | 131 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E158 | E158-G160 PolarHBondContact O-N 3.11Š| ||
| 161 | A | 58.9 | Low | 63 | Low | 90 Ų | 90 | 124.6 Ų | 124.6 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | trans | -61.5 | 148 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S163 | A161-S163 PolarHBondContact O-N 3.02Š| ||
| 162 | P | 53.3 | Low | 63.7 | Low | 134 Ų | 134 | 117.2 Ų | 117.2 | 87% | 0.87 | 71% | 0.709 | S | S | * | * | trans | -64 | 105 | 179.4 | 26.4 | -34.1 | 0 | 0 | 0 | 110.4 | ||||
| 163 | S | 54.7 | Low | 64 | Low | 107 Ų | 107 | 113.7 Ų | 113.7 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -73.8 | 129.7 | 167 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | A161 D165 | A161-S163 PolarHBondContact O-N 3.02Å; S163-D165 PolarHBondContact O-N 2.99Å | ||
| 164 | D | 56.8 | Low | 64.4 | Low | 159 Ų | 159 | 114.2 Ų | 114.2 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | trans | -79.5 | 46.1 | -172.9 | -141.6 | -6 | 0 | 0 | 0 | 112.1 | S166 | D164-S166 PolarHBondContact O-N 2.77Š| ||
| 165 | D | 66.3 | Low | 64.8 | Low | 130 Ų | 130 | 113.9 Ų | 113.9 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | trans | -80.1 | 50.2 | -176.9 | -162.6 | 12.1 | 0 | 0 | 0 | 111.2 | S163 M167 | S163-D165 PolarHBondContact O-N 2.99Å; D165-M167 PolarHBondContact O-N 3.04Å | ||
| 166 | S | 71.8 | Confident | 65.6 | Low | 79 Ų | 79 | 114.9 Ų | 114.9 | 55% | 0.552 | 67% | 0.672 | S | S | * | * | trans | -81.8 | 102.2 | 179.7 | -172.1 | 0 | 0 | 0 | 0 | 110 | D164 T168 | D164-S166 PolarHBondContact O-N 2.77Å; S166-T168 PolarHBondContact O-N 3.44Å; S166-T168 PolarHBondContact OG-OG1 3.09Å | ||
| 167 | M | 77.9 | Confident | 66.5 | Low | 112 Ų | 112 | 114.6 Ų | 114.6 | 55% | 0.552 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -68.2 | 30.4 | 179.7 | -70.7 | -166.2 | 158.6 | 0 | 0 | 115.2 | D165 D169 L170 Y171 | D165-M167 PolarHBondContact O-N 3.04Å; M167-D169 PolarHBondContact O-N 3.26Å; M167-L170 HydrophobicContact CB-CD1 4.45Å; M167-L170 HydrophobicContact CE-CD1 4.23Å; M167-L170 HydrophobicContact CG-CD1 4.32Å; M167-L170 PolarHBondContact O-N 3.41Å; M167-L170 HydrophobicContact SD-CD1 3.93Å; M167-Y171 PolarHBondContact O-N 2.94Å |
| 168 | T | 68.1 | Low | 66.7 | Low | 74 Ų | 74 | 117.3 Ų | 117.3 | 45% | 0.454 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -63.3 | -28.3 | 178.3 | -45.5 | 0 | 0 | 0 | 0 | 112.5 | S166 L170 Y171 | S166-T168 PolarHBondContact O-N 3.44Å; S166-T168 PolarHBondContact OG-OG1 3.09Å; T168-L170 VanDerWaalsContact C-N 3.27Å; T168-L170 PolarHBondContact O-N 3.34Å; T168-Y171 CarbonylContact O-C 3.57Å; T168-Y171 PolarHBondContact O-N 3.37Å |
| 169 | D | 78.9 | Confident | 67.2 | Low | 148 Ų | 148 | 117.9 Ų | 117.9 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -62.7 | -31.8 | 172.1 | -173.9 | 54.2 | 0 | 0 | 0 | 112.6 | M167 | M167-D169 PolarHBondContact O-N 3.26Š|
| 170 | L | 82.6 | Confident | 66.9 | Low | 106 Ų | 106 | 121 Ų | 121 | 56% | 0.555 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -19.7 | 176.9 | -59.2 | -177.9 | 0 | 0 | 0 | 113.2 | M167 T168 | M167-L170 HydrophobicContact CB-CD1 4.45Å; M167-L170 HydrophobicContact CE-CD1 4.23Å; M167-L170 HydrophobicContact CG-CD1 4.32Å; M167-L170 PolarHBondContact O-N 3.41Å; M167-L170 HydrophobicContact SD-CD1 3.93Å; T168-L170 VanDerWaalsContact C-N 3.27Å; T168-L170 PolarHBondContact O-N 3.34Å |
| 171 | Y | 79.3 | Confident | 66.6 | Low | 152 Ų | 152 | 125 Ų | 125 | 60% | 0.596 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -135.4 | 72.7 | 178.7 | -65.7 | -81.2 | 0 | 0 | 0 | 111.6 | M167 T168 F176 | M167-Y171 PolarHBondContact O-N 2.94Å; T168-Y171 CarbonylContact O-C 3.57Å; T168-Y171 PolarHBondContact O-N 3.37Å; Y171-F176 HydrophobicContact CD1-CE2 4.18Å; Y171-F176 HydrophobicContact CD1-CZ 4.2Å |
| 172 | P | 80.9 | Confident | 65.6 | Low | 46 Ų | 46 | 124 Ų | 124 | 30% | 0.299 | 66% | 0.663 | S | S | . | * | trans | -58.9 | 134.1 | 176.3 | -23.7 | 34.2 | 0 | 0 | 0 | 111.4 | E174 L175 | P172-E174 WeakPolarHBondContact CB-OE2 3.26Å; P172-E174 PolarHBondContact O-N 2.87Å; P172-E174 VanDerWaalsContact O-N 3.13Å; P172-L175 WeakPolarHBondContact O-CB 3.45Å; P172-L175 PolarHBondContact O-N 3.3Å; P172-L175 VanDerWaalsContact O-N 3.12Å | ||
| 173 | P | 70.4 | Confident | 65.1 | Low | 71 Ų | 71 | 123.6 Ų | 123.6 | 46% | 0.461 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -62.7 | -22.1 | -174.5 | 25.7 | -34.6 | 0 | 0 | 0 | 113.4 | L175 F176 T177 | P173-L175 PolarHBondContact O-N 3.17Å; P173-F176 CarbonylContact O-C 3.49Å; P173-F176 WeakPolarHBondContact O-CA 3.41Å; P173-F176 PolarHBondContact O-N 2.81Å; P173-T177 PolarHBondContact O-N 3.06Å |
| 174 | E | 72 | Confident | 64.1 | Low | 133 Ų | 133 | 123.9 Ų | 123.9 | 62% | 0.621 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -63.3 | -20.1 | 177.1 | -56.9 | 76.6 | -168.2 | 0 | 0 | 112.9 | P172 F176 T177 | P172-E174 WeakPolarHBondContact CB-OE2 3.26Å; P172-E174 PolarHBondContact O-N 2.87Å; P172-E174 VanDerWaalsContact O-N 3.13Å; E174-F176 VanDerWaalsContact C-N 3.28Å; E174-T177 WeakPolarHBondContact CA-OG1 3.32Å; E174-T177 PolarHBondContact O-OG1 3.24Å |
| 175 | L | 66.5 | Low | 63.1 | Low | 130 Ų | 130 | 124.2 Ų | 124.2 | 68% | 0.681 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -75.4 | -18.2 | 171.9 | -60.6 | -179.3 | 0 | 0 | 0 | 112.9 | P172 P173 | P172-L175 WeakPolarHBondContact O-CB 3.45Å; P172-L175 PolarHBondContact O-N 3.3Å; P172-L175 VanDerWaalsContact O-N 3.12Å; P173-L175 PolarHBondContact O-N 3.17Å |
| 176 | F | 71.2 | Confident | 61.6 | Low | 148 Ų | 148 | 125.6 Ų | 125.6 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -14.5 | -175.3 | -62.3 | -78.9 | 0 | 0 | 0 | 113.4 | Y171 P173 E174 R178 | Y171-F176 HydrophobicContact CD1-CE2 4.18Å; Y171-F176 HydrophobicContact CD1-CZ 4.2Å; P173-F176 CarbonylContact O-C 3.49Å; P173-F176 WeakPolarHBondContact O-CA 3.41Å; P173-F176 PolarHBondContact O-N 2.81Å; E174-F176 VanDerWaalsContact C-N 3.28Å; F176-R178 PolarHBondContact O-N 3.33Å |
| 177 | T | 69.8 | Low | 59.8 | Low | 97 Ų | 97 | 126.5 Ų | 126.5 | 60% | 0.595 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -61.7 | 105.7 | 166 | 48.8 | 0 | 0 | 0 | 0 | 109.4 | P173 E174 K179 | P173-T177 PolarHBondContact O-N 3.06Å; E174-T177 WeakPolarHBondContact CA-OG1 3.32Å; E174-T177 PolarHBondContact O-OG1 3.24Å; T177-K179 PolarHBondContact O-N 2.93Å |
| 178 | R | 61.1 | Low | 57.8 | Low | 222 Ų | 222 | 129.1 Ų | 129.1 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | trans | -52.1 | 134.1 | 168.2 | -172.6 | 177.4 | -174.6 | 170.7 | -0.1 | 107.9 | F176 D180 | F176-R178 PolarHBondContact O-N 3.33Å; R178-D180 VanDerWaalsContact C-N 3.34Å; R178-D180 PolarHBondContact O-N 3.36Å | ||
| 179 | K | 61 | Low | 56.4 | Low | 186 Ų | 186 | 128.8 Ų | 128.8 | 81% | 0.809 | 70% | 0.704 | S | S | * | * | trans | -70.8 | 91.4 | -175.1 | -170 | 169.5 | -174.4 | 173.1 | 0 | 110.1 | T177 L181 | T177-K179 PolarHBondContact O-N 2.93Å; K179-L181 PolarHBondContact O-N 3.37Å | ||
| 180 | D | 50.7 | Low | 54.6 | Low | 146 Ų | 146 | 127.7 Ų | 127.7 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | trans | -64.3 | 98.6 | 173.7 | -68.9 | -34.4 | 0 | 0 | 0 | 109 | R178 G182 | R178-D180 VanDerWaalsContact C-N 3.34Å; R178-D180 PolarHBondContact O-N 3.36Å; D180-G182 PolarHBondContact O-N 2.87Å | ||
| 181 | L | 45.3 | Very low | 52.4 | Low | 156 Ų | 156 | 128.8 Ų | 128.8 | 82% | 0.817 | 71% | 0.709 | S | S | * | * | trans | -68.9 | 99.4 | 164.9 | -66.1 | 175.1 | 0 | 0 | 0 | 106.5 | K179 | K179-L181 PolarHBondContact O-N 3.37Š| ||
| 182 | G | 39.1 | Very low | 50.4 | Low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | -59 | 144.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D180 T184 | D180-G182 PolarHBondContact O-N 2.87Å; G182-T184 PolarHBondContact O-N 2.87Å | ||
| 183 | S | 42.1 | Very low | 48.2 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | trans | -64.3 | 118.2 | 179.2 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 184 | T | 33.6 | Very low | 46.8 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | trans | -153.9 | 122.1 | 141.1 | 35.4 | 0 | 0 | 0 | 0 | 110.2 | G182 | G182-T184 PolarHBondContact O-N 2.87Š| ||
| 185 | E | 36.4 | Very low | 45.3 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | 64.9 | 110.5 | 139.7 | -68 | 148.7 | -139.3 | 0 | 0 | 120.8 | ||||
| 186 | D | 35.4 | Very low | 43.7 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | 73.2 | 162.4 | 142.6 | -62.7 | -35.7 | 0 | 0 | 0 | 122.4 | ||||
| 187 | A | 33.1 | Very low | 42.4 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 73 | 103 | 174.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 188 | D | 36.3 | Very low | 40.7 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | 0.6 | 133.4 | 131 | -170.8 | 32.3 | 0 | 0 | 0 | 118.3 | ||||
| 189 | G | 38.9 | Very low | 39.4 | Very low | 67 Ų | 67 | 139.8 Ų | 139.8 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 177.7 | 119.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 190 | T | 40.9 | Very low | 38.2 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | -68.9 | 157.9 | 163.1 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 191 | D | 35.6 | Very low | 37.3 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | -173.8 | 149.7 | 76.4 | -116.7 | -150.3 | 0 | 0 | 0 | 110.4 | |||||
| 192 | D | 37.7 | Very low | 36.5 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | trans | 58.8 | 165.3 | 142.4 | -82 | 20.4 | 0 | 0 | 0 | 121.3 | ||||
| 193 | F | 35.5 | Very low | 36.2 | Very low | 182 Ų | 182 | 141 Ų | 141 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | cis | -136.6 | 134.2 | 16.4 | -156.8 | -88 | 0 | 0 | 0 | 111.4 | ||||
| 194 | L | 40.5 | Very low | 36.4 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -84.9 | 145.1 | 177.3 | -74 | 169.1 | 0 | 0 | 0 | 111.8 | ||||
| 195 | T | 40.2 | Very low | 37 | Very low | 139 Ų | 139 | 140 Ų | 140 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -82.3 | 120.6 | 170.5 | -47.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 196 | D | 34.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | trans | -115.2 | 134.2 | 169.7 | -176 | 36.6 | 0 | 0 | 0 | 110.7 | ||||
| 197 | E | 43 | Very low | 36.7 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -127.9 | 110.7 | 169.6 | -76.5 | -162.9 | 121.4 | 0 | 0 | 108.1 | ||||
| 198 | Q | 33.3 | Very low | 36.7 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | -142.7 | 90.4 | 177 | -124.4 | 173 | 118.3 | 0 | 0 | 115.1 | ||||
| 199 | D | 34.4 | Very low | 36.3 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | 43.7 | 141.9 | 124.4 | -145.7 | 23.1 | 0 | 0 | 0 | 124.5 | |||||
| 200 | E | 36.2 | Very low | 35.7 | Very low | 126 Ų | 126 | 145 Ų | 145 | 59% | 0.589 | 75% | 0.749 | S | S | * | * | trans | 54.1 | 131.6 | 150.5 | -84.3 | -86.8 | 69.6 | 0 | 0 | 125.9 | ||||
| 201 | K | 32.1 | Very low | 35 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 74% | 0.735 | 75% | 0.751 | S | S | * | * | 116 | 138.3 | 124.7 | -99.8 | 178.7 | -164.9 | 77.1 | 0 | 123.8 | |||||
| 202 | A | 28.8 | Very low | 34.7 | Very low | 95 Ų | 95 | 148.5 Ų | 148.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 87.1 | 164.1 | 144 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 203 | K | 32.6 | Very low | 34.2 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | -157 | -169.6 | -168.9 | -53.7 | -178.2 | -179.7 | 175.2 | 0 | 110.1 | ||||
| 204 | P | 45.8 | Very low | 34 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | cis | -129.9 | -34.1 | -24.5 | 13.3 | 8.2 | 0 | 0 | 0 | 125.9 | ||||
| 205 | P | 46.3 | Very low | 33.5 | Very low | 101 Ų | 101 | 151.4 Ų | 151.4 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | -131 | 169 | -113 | 43.4 | -29.7 | 0 | 0 | 0 | 121.3 | |||||
| 206 | R | 32.5 | Very low | 33.1 | Very low | 214 Ų | 214 | 151.7 Ų | 151.7 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | 92.1 | 121 | 161 | -59.5 | -165.6 | 167.4 | -174.5 | -3.3 | 117.8 | ||||
| 207 | E | 31.8 | Very low | 32.8 | Very low | 128 Ų | 128 | 152 Ų | 152 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | 77.2 | 148.3 | 94.2 | -67.3 | 175.2 | 77 | 0 | 0 | 114.3 | |||||
| 208 | K | 33.5 | Very low | 32.1 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | cis | -170.1 | 170.9 | 4.5 | -111.8 | 171.9 | 175.3 | 152.3 | 0 | 108.3 | ||||
| 209 | V | 28.3 | Very low | 31.9 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | cis | -156.1 | -97.9 | -6.8 | 60.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 210 | T | 27.1 | Very low | 31.5 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -93.6 | 163.7 | -170.9 | 41.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 211 | D | 26.6 | Very low | 31.3 | Very low | 151 Ų | 151 | 154.7 Ų | 154.7 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | -169.5 | -174.8 | 64.7 | -162.1 | 18.1 | 0 | 0 | 0 | 115.8 | |||||
| 212 | E | 27.8 | Very low | 31.2 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -60.4 | 160.1 | -172.3 | -77.1 | -86.5 | 145 | 0 | 0 | 120.2 | ||||
| 213 | G | 26.7 | Very low | 31.5 | Very low | 64 Ų | 64 | 153.2 Ų | 153.2 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | 128.5 | 128.2 | 122.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 214 | R | 31.8 | Very low | 31.6 | Very low | 251 Ų | 251 | 149.5 Ų | 149.5 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | trans | 82.1 | 151.4 | 145.6 | -165.9 | 172.3 | -84.3 | -138.2 | -0.6 | 120.9 | ||||
| 215 | R | 31.5 | Very low | 31.4 | Very low | 212 Ų | 212 | 152.7 Ų | 152.7 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -88.9 | -179.6 | -178.2 | -48.7 | 172.6 | -172.5 | 162.8 | 0.9 | 110.1 | ||||
| 216 | E | 30.3 | Very low | 31.3 | Very low | 144 Ų | 144 | 157 Ų | 157 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | cis | -170.6 | 169.6 | 28.3 | -143.3 | 146.3 | -121.3 | 0 | 0 | 111.8 | ||||
| 217 | T | 27.6 | Very low | 31.6 | Very low | 131 Ų | 131 | 158.8 Ų | 158.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 52.2 | 113.9 | 159.1 | 46.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 218 | A | 28.4 | Very low | 31.8 | Very low | 97 Ų | 97 | 156.1 Ų | 156.1 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | 174.3 | 105.4 | 130.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 219 | V | 29 | Very low | 32.5 | Very low | 135 Ų | 135 | 157.3 Ų | 157.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | 90.7 | 134.8 | 68.9 | 169.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 220 | Y | 27.1 | Very low | 33.5 | Very low | 214 Ų | 214 | 161 Ų | 161 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | 84.5 | 78.5 | 167.5 | -113.9 | -91.5 | 0 | 0 | 0 | 123.9 | ||||
| 221 | R | 31.6 | Very low | 34.2 | Very low | 238 Ų | 238 | 162.8 Ų | 162.8 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -2.5 | 121.3 | 137.1 | -172.1 | -168.3 | -57.6 | -152.5 | 3 | 119.5 | ||||
| 222 | G | 30.5 | Very low | 35.2 | Very low | 71 Ų | 71 | 163.6 Ų | 163.6 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 175.2 | 148.8 | 157 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 223 | L | 33.9 | Very low | 35.6 | Very low | 161 Ų | 161 | 158.2 Ų | 158.2 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | cis | -151.3 | 150 | -3.6 | -152.2 | 140.7 | 0 | 0 | 0 | 109.5 | ||||
| 224 | V | 36.2 | Very low | 36.7 | Very low | 117 Ų | 117 | 160.9 Ų | 160.9 | 71% | 0.709 | 81% | 0.814 | S | S | * | * | trans | -86.7 | 133.3 | -178.5 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | K226 | V224-K226 HydrophobicContact CG1-CG 4.44Š| ||
| 225 | Q | 41.1 | Very low | 37.5 | Very low | 180 Ų | 180 | 157.3 Ų | 157.3 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -130.6 | 114.8 | 159.1 | -66 | -160.7 | 15.6 | 0 | 0 | 112.4 | ||||
| 226 | K | 43.8 | Very low | 38.4 | Very low | 192 Ų | 192 | 156.4 Ų | 156.4 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -99.2 | 119.5 | 167.4 | -71.7 | 179.1 | 178 | 175.2 | 0 | 109.5 | V224 | V224-K226 HydrophobicContact CG1-CG 4.44Š| ||
| 227 | R | 39.1 | Very low | 39.5 | Very low | 252 Ų | 252 | 157.7 Ų | 157.7 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | trans | -166.2 | 135 | 162.2 | -102.6 | 161.2 | -177.1 | -171.2 | 0 | 107.7 | ||||
| 228 | G | 37.1 | Very low | 40.6 | Very low | 71 Ų | 71 | 161.1 Ų | 161.1 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | cis | -166.4 | 152 | -9 | 0 | 0 | 0 | 0 | 0 | 110.4 | K230 | G228-K230 PolarHBondContact O-N 3.45Š| ||
| 229 | K | 46.4 | Very low | 41.4 | Very low | 198 Ų | 198 | 164.7 Ų | 164.7 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -74.1 | 118.7 | -177.7 | -171.2 | 177.3 | -177.2 | 179.6 | 0 | 110.1 | ||||
| 230 | K | 49.1 | Very low | 42.4 | Very low | 205 Ų | 205 | 167.6 Ų | 167.6 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -108.4 | 147.4 | 167.8 | -78.7 | -169.8 | 173.8 | -177.3 | 0 | 111 | G228 | G228-K230 PolarHBondContact O-N 3.45Š| ||
| 231 | Q | 42.4 | Very low | 43.4 | Very low | 157 Ų | 157 | 162.2 Ų | 162.2 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -85.6 | 175.4 | -166.4 | -73.9 | -73.4 | 16.2 | 0 | 0 | 113.6 | ||||
| 232 | L | 48.3 | Very low | 44.5 | Very low | 169 Ų | 169 | 158.9 Ų | 158.9 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -56.4 | 136.5 | 174.4 | -66.4 | 87.8 | 0 | 0 | 0 | 111.5 | ||||
| 233 | G | 35.3 | Very low | 45.3 | Very low | 64 Ų | 64 | 164.2 Ų | 164.2 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | trans | -136.3 | 110.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | L235 | G233-L235 PolarHBondContact O-N 3.43Š| ||
| 234 | S | 50.7 | Low | 45.9 | Very low | 120 Ų | 120 | 162.5 Ų | 162.5 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -80.4 | 78.3 | -174.8 | 45.5 | 0 | 0 | 0 | 0 | 112 | K236 | S234-K236 VanDerWaalsContact C-N 3.28Å; S234-K236 PolarHBondContact O-N 3.43Å | ||
| 235 | L | 47.3 | Very low | 46.9 | Very low | 175 Ų | 175 | 166.1 Ų | 166.1 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -66.1 | 80.2 | 176.3 | -72.7 | 172.3 | 0 | 0 | 0 | 112.3 | G233 K237 | G233-L235 PolarHBondContact O-N 3.43Å; L235-K237 PolarHBondContact O-N 2.97Å | ||
| 236 | K | 51.9 | Low | 47.5 | Very low | 193 Ų | 193 | 163.3 Ų | 163.3 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -63.1 | 104.9 | 165.5 | -76.4 | -163.3 | 176.3 | -174.8 | 0 | 108.9 | S234 K238 | S234-K236 VanDerWaalsContact C-N 3.28Å; S234-K236 PolarHBondContact O-N 3.43Å; K236-K238 PolarHBondContact O-N 3.42Å | ||
| 237 | K | 53 | Low | 48.2 | Very low | 171 Ų | 171 | 163.7 Ų | 163.7 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | -57.5 | 96.9 | 173.2 | -174.7 | 174 | -176.4 | 173.5 | 0 | 109.7 | L235 F239 | L235-K237 PolarHBondContact O-N 2.97Å; K237-F239 WeakPolarHBondContact O-CD2 3.41Å; K237-F239 PolarHBondContact O-N 3.39Å | ||
| 238 | K | 51 | Low | 48.7 | Very low | 203 Ų | 203 | 157.1 Ų | 157.1 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -64.6 | 105.1 | 175.1 | -71 | -172.6 | 177.5 | -177 | 0 | 108.7 | K236 K240 | K236-K238 PolarHBondContact O-N 3.42Å; K238-K240 PolarHBondContact O-N 3.2Å | ||
| 239 | F | 45.1 | Very low | 49.1 | Very low | 173 Ų | 173 | 163.9 Ų | 163.9 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | -67.2 | 128.2 | 168 | -77.3 | -95.6 | 0 | 0 | 0 | 108.6 | K237 S241 | K237-F239 WeakPolarHBondContact O-CD2 3.41Å; K237-F239 PolarHBondContact O-N 3.39Å; F239-S241 PolarHBondContact O-N 3.42Å; F239-S241 VanDerWaalsContact O-N 3.09Å | ||
| 240 | K | 50.6 | Low | 49.2 | Very low | 195 Ų | 195 | 159.8 Ų | 159.8 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -78.5 | 93.5 | 178.5 | -140.8 | 172.4 | -175.4 | -178.5 | 0 | 107.7 | K238 H242 | K238-K240 PolarHBondContact O-N 3.2Å; K240-H242 PolarHBondContact O-N 2.87Å | ||
| 241 | S | 47.4 | Very low | 49.3 | Very low | 102 Ų | 102 | 155.4 Ų | 155.4 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | -71.7 | 113.3 | -179.7 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | F239 | F239-S241 PolarHBondContact O-N 3.42Å; F239-S241 VanDerWaalsContact O-N 3.09Å | ||
| 242 | H | 54.4 | Low | 49.2 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 78% | 0.778 | 82% | 0.817 | S | S | * | * | trans | -68.5 | 140.2 | 170.5 | -70.1 | -101.9 | 0 | 0 | 0 | 109.8 | K240 C244 | K240-H242 PolarHBondContact O-N 2.87Å; H242-C244 PolarHBondContact O-N 2.87Å | ||
| 243 | H | 47.5 | Very low | 49.2 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | -74.3 | 94.5 | -172 | -67.6 | -93.1 | 0 | 0 | 0 | 112.2 | K245 | H243-K245 PolarHBondContact O-N 3.3Š| ||
| 244 | C | 46.7 | Very low | 50 | Low | 124 Ų | 124 | 160.4 Ų | 160.4 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -71 | 103.2 | 161.9 | -63.1 | 0 | 0 | 0 | 0 | 109.2 | H242 | H242-C244 PolarHBondContact O-N 2.87Š| ||
| 245 | K | 56.8 | Low | 50.2 | Low | 193 Ų | 193 | 160.4 Ų | 160.4 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.5 | 168.5 | -65.8 | -177.5 | 179.7 | -179.4 | 0 | 108.8 | H243 | H243-K245 PolarHBondContact O-N 3.3Š|
| 246 | P | 53.7 | Low | 49.8 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 79% | 0.792 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 138.8 | 171.3 | 28.6 | -33.1 | 0 | 0 | 0 | 109.5 | S248 | P246-S248 PolarHBondContact O-N 3.14Š|
| 247 | K | 58 | Low | 49.6 | Very low | 199 Ų | 199 | 157.7 Ų | 157.7 | 87% | 0.865 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -69 | 128.7 | 166.3 | -70.4 | -173.6 | 175.8 | -173.7 | 0 | 108.1 | ||
| 248 | S | 49.8 | Very low | 49.5 | Very low | 114 Ų | 114 | 157 Ų | 157 | 80% | 0.797 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 134.9 | 170.5 | 37.2 | 0 | 0 | 0 | 0 | 110 | P246 S250 | P246-S248 PolarHBondContact O-N 3.14Å; S248-S250 PolarHBondContact O-N 2.87Å |
| 249 | F | 46.4 | Very low | 49.4 | Very low | 213 Ų | 213 | 154.4 Ų | 154.4 | 93% | 0.934 | 86% | 0.858 | S | S | * | * | trans | -76.6 | 99.3 | 168.2 | -74.7 | -95.3 | 0 | 0 | 0 | 108.5 | S251 | F249-S251 PolarHBondContact O-N 3.35Š| ||
| 250 | S | 48.7 | Very low | 49.6 | Very low | 112 Ų | 112 | 153.4 Ų | 153.4 | 78% | 0.783 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 120.2 | 164.5 | 53.3 | 0 | 0 | 0 | 0 | 108.8 | S248 | S248-S250 PolarHBondContact O-N 2.87Š|
| 251 | S | 50.1 | Low | 49.6 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 79% | 0.79 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 140.9 | 179.7 | 41.2 | 0 | 0 | 0 | 0 | 111.7 | F249 K253 | F249-S251 PolarHBondContact O-N 3.35Å; S251-K253 PolarHBondContact O-N 3.12Å |
| 252 | C | 41.2 | Very low | 49.7 | Very low | 121 Ų | 121 | 154 Ų | 154 | 82% | 0.818 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 123.3 | 172.1 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 253 | K | 48.5 | Very low | 49.4 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 123.8 | 160.6 | -71.6 | -176.6 | 175 | -177 | 0 | 108 | S251 | S251-K253 PolarHBondContact O-N 3.12Š|
| 254 | Q | 51.2 | Low | 49.5 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 80% | 0.804 | 89% | 0.885 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 145.7 | 164.1 | -74.2 | -81.1 | -36.8 | 0 | 0 | 109 | ||
| 255 | P | 54.4 | Low | 49.8 | Very low | 120 Ų | 120 | 152.9 Ų | 152.9 | 78% | 0.779 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 141.6 | 165.1 | 33.6 | -31.8 | 0 | 0 | 0 | 110.5 | ||
| 256 | G | 38.6 | Very low | 49.1 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 100% | 1.588 | 89% | 0.894 | S | S | * | * | trans | -177.6 | 0 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 256 of 256 residues in 613 ms
(Link to these results)