| 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 | 69.6 | Low | 81.5 | Confident | 182 Ų | 182 | 96.2 Ų | 96.2 | 90% | 0.897 | 53% | 0.532 | S | S | * | . | 0 | 0.7 | 0 | -60.5 | -51.3 | 149.4 | 0 | 0 | 116.8 | |||||
| 2 | P | 76.9 | Confident | 81.7 | Confident | 104 Ų | 104 | 95.3 Ų | 95.3 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.4 | -38.6 | 173.3 | -24.3 | 34.5 | 0 | 0 | 0 | 114.9 | L6 | P2-L6 WeakPolarHBondContact O-CB 3.49Å; P2-L6 PolarHBondContact O-N 3.2Å; P2-L6 VanDerWaalsContact O-N 3.1Å |
| 3 | L | 79.5 | Confident | 81.7 | Confident | 143 Ų | 143 | 96.8 Ų | 96.8 | 75% | 0.749 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.5 | -40.3 | -172 | -90.6 | 69.2 | 0 | 0 | 0 | 113.8 | L6 G7 | L3-L6 PolarHBondContact O-N 3.13Å; L3-G7 PolarHBondContact O-N 3.08Å |
| 4 | V | 82.1 | Confident | 81.6 | Confident | 95 Ų | 95 | 97.7 Ų | 97.7 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.4 | -45.6 | -178.5 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | L6 G7 I8 | V4-L6 VanDerWaalsContact C-N 3.32Å; V4-L6 PolarHBondContact O-N 3.2Å; V4-G7 PolarHBondContact O-N 3.46Å; V4-I8 HydrophobicContact CG1-CD1 4.24Å; V4-I8 WeakPolarHBondContact O-CG1 3.29Å; V4-I8 PolarHBondContact O-N 2.87Å; V4-I8 VanDerWaalsContact O-N 3.09Å |
| 5 | L | 83.3 | Confident | 81.7 | Confident | 105 Ų | 105 | 99.6 Ų | 99.6 | 55% | 0.55 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -37.6 | 177 | -68.2 | 175.8 | 0 | 0 | 0 | 112.1 | I8 R9 | L5-I8 PolarHBondContact O-N 3.11Å; L5-R9 WeakPolarHBondContact O-CG 3.23Å; L5-R9 PolarHBondContact O-N 3.45Å; L5-R9 VanDerWaalsContact O-N 3.15Å |
| 6 | L | 83 | Confident | 81.8 | Confident | 59 Ų | 59 | 98.8 Ų | 98.8 | 31% | 0.309 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.6 | -45.6 | 176.2 | -176.2 | 59.7 | 0 | 0 | 0 | 111.1 | P2 L3 V4 I8 R9 T10 L29 L31 | P2-L6 WeakPolarHBondContact O-CB 3.49Å; P2-L6 PolarHBondContact O-N 3.2Å; P2-L6 VanDerWaalsContact O-N 3.1Å; L3-L6 PolarHBondContact O-N 3.13Å; V4-L6 VanDerWaalsContact C-N 3.32Å; V4-L6 PolarHBondContact O-N 3.2Å; L6-I8 VanDerWaalsContact C-N 3.34Å; L6-I8 PolarHBondContact O-N 3.01Å; L6-R9 PolarHBondContact O-N 3.05Å; L6-R9 VanDerWaalsContact O-N 3.07Å; L6-T10 HydrophobicContact CD1-CG2 4.43Å; L6-T10 PolarHBondContact O-N 3.01Å; L6-T10 VanDerWaalsContact O-N 3.07Å; L6-T10 PolarHBondContact O-OG1 3.45Å; L6-L29 HydrophobicContact CD1-CD1 4.21Å; L6-L31 HydrophobicContact CD1-CD2 3.64Å; L6-L31 HydrophobicContact CD2-CD2 3.42Å; L6-L31 VanDerWaalsContact CD2-CD2 3.42Å; L6-L31 HydrophobicContact CG-CD2 3.35Å |
| 7 | G | 83.2 | Confident | 81.9 | Confident | 34 Ų | 34 | 96.3 Ų | 96.3 | 35% | 0.351 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.7 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L3 V4 R9 T10 A11 | L3-G7 PolarHBondContact O-N 3.08Å; V4-G7 PolarHBondContact O-N 3.46Å; G7-R9 VanDerWaalsContact C-N 3.27Å; G7-R9 PolarHBondContact O-N 2.94Å; G7-T10 PolarHBondContact O-N 2.84Å; G7-T10 PolarHBondContact O-OG1 3.43Å; G7-A11 VanDerWaalsContact O-CB 3.26Å; G7-A11 WeakPolarHBondContact O-CB 3.45Å; G7-A11 PolarHBondContact O-N 2.96Å |
| 8 | I | 84.6 | Confident | 82.1 | Confident | 106 Ų | 106 | 95.8 Ų | 95.8 | 54% | 0.544 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -33.7 | 176 | -65.7 | 166.4 | 0 | 0 | 0 | 111.6 | V4 L5 L6 | V4-I8 HydrophobicContact CG1-CD1 4.24Å; V4-I8 WeakPolarHBondContact O-CG1 3.29Å; V4-I8 PolarHBondContact O-N 2.87Å; V4-I8 VanDerWaalsContact O-N 3.09Å; L5-I8 PolarHBondContact O-N 3.11Å; L6-I8 VanDerWaalsContact C-N 3.34Å; L6-I8 PolarHBondContact O-N 3.01Å |
| 9 | R | 85.3 | Confident | 82.4 | Confident | 140 Ų | 140 | 90.8 Ų | 90.8 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -76.9 | -26.7 | 179.4 | -72.7 | -179.8 | -178.6 | -172.7 | -0.3 | 113.5 | L5 L6 G7 P20 A21 L29 | L5-R9 WeakPolarHBondContact O-CG 3.23Å; L5-R9 PolarHBondContact O-N 3.45Å; L5-R9 VanDerWaalsContact O-N 3.15Å; L6-R9 PolarHBondContact O-N 3.05Å; L6-R9 VanDerWaalsContact O-N 3.07Å; G7-R9 VanDerWaalsContact C-N 3.27Å; G7-R9 PolarHBondContact O-N 2.94Å; R9-P20 WeakPolarHBondContact O-CD 3.49Å; R9-A21 HydrophobicContact CB-CB 4.37Å; R9-A21 VanDerWaalsContact O-CB 3.27Å; R9-A21 WeakPolarHBondContact O-CB 3.26Å; R9-A21 PolarHBondContact O-N 2.84Å; R9-L29 HydrophobicContact CB-CD1 4.43Å |
| 10 | T | 84.6 | Confident | 82.7 | Confident | 34 Ų | 34 | 89.2 Ų | 89.2 | 21% | 0.209 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -99.8 | -14.5 | 179.5 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | L6 G7 S12 A19 L29 L31 | L6-T10 HydrophobicContact CD1-CG2 4.43Å; L6-T10 PolarHBondContact O-N 3.01Å; L6-T10 VanDerWaalsContact O-N 3.07Å; L6-T10 PolarHBondContact O-OG1 3.45Å; G7-T10 PolarHBondContact O-N 2.84Å; G7-T10 PolarHBondContact O-OG1 3.43Å; T10-S12 PolarHBondContact O-N 3.07Å; T10-A19 WeakPolarHBondContact O-CB 3.36Å; T10-L29 HydrophobicContact CG2-CB 3.76Å; T10-L29 HydrophobicContact CG2-CD1 4.03Å; T10-L29 HydrophobicContact CG2-CG 4.4Å; T10-L31 HydrophobicContact CG2-CD1 4.4Å; T10-L31 HydrophobicContact CG2-CD2 3.72Å; T10-L31 HydrophobicContact CG2-CG 4.19Å |
| 11 | A | 84.6 | Confident | 83 | Confident | 56 Ų | 56 | 85.1 Ų | 85.1 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -63.3 | 121.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | G7 P20 | G7-A11 VanDerWaalsContact O-CB 3.26Å; G7-A11 WeakPolarHBondContact O-CB 3.45Å; G7-A11 PolarHBondContact O-N 2.96Å; A11-P20 WeakPolarHBondContact O-CD 3.35Å |
| 12 | S | 83.6 | Confident | 83.9 | Confident | 85 Ų | 85 | 78.6 Ų | 78.6 | 59% | 0.594 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 132.1 | 173.3 | 54.2 | 0 | 0 | 0 | 0 | 109.6 | T10 | T10-S12 PolarHBondContact O-N 3.07Š|
| 13 | K | 81.9 | Confident | 84.5 | Confident | 115 Ų | 115 | 79.6 Ų | 79.6 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 122.3 | 172.3 | -169.3 | -175.3 | -179.3 | -154.4 | 0 | 107.8 | D15 L16 G17 L18 | K13-D15 HydrophobicContact CD-CB 4.36Å; K13-D15 HydrophobicContact CG-CB 4.27Å; K13-D15 IonicContact NZ-OD2 3.42Å; K13-D15 PolarHBondContact NZ-OD2 3.02Å; K13-D15 PolarHBondContact O-N 3.37Å; K13-L16 HydrophobicContact CD-CD1 4.15Å; K13-L16 HydrophobicContact CD-CG 4.34Å; K13-L16 PolarHBondContact O-N 3.12Å; K13-G17 PolarHBondContact O-N 2.72Å; K13-L18 PolarHBondContact N-O 2.9Å; K13-L18 VanDerWaalsContact N-O 3.13Å |
| 14 | A | 79.7 | Confident | 85 | Confident | 110 Ų | 110 | 77.9 Ų | 77.9 | 91% | 0.909 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 15 | D | 84 | Confident | 85.3 | Confident | 126 Ų | 126 | 80.9 Ų | 80.9 | 67% | 0.674 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -32.7 | 179.4 | -172.8 | 35.6 | 0 | 0 | 0 | 113.5 | K13 | K13-D15 HydrophobicContact CD-CB 4.36Å; K13-D15 HydrophobicContact CG-CB 4.27Å; K13-D15 IonicContact NZ-OD2 3.42Å; K13-D15 PolarHBondContact NZ-OD2 3.02Å; K13-D15 PolarHBondContact O-N 3.37Å |
| 16 | L | 82.7 | Confident | 85.6 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 45% | 0.45 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -18.3 | -177 | -64 | 174.9 | 0 | 0 | 0 | 113.1 | K13 L18 M23 | K13-L16 HydrophobicContact CD-CD1 4.15Å; K13-L16 HydrophobicContact CD-CG 4.34Å; K13-L16 PolarHBondContact O-N 3.12Å; L16-L18 HydrophobicContact CB-CB 4.46Å; L16-L18 PolarHBondContact O-N 3.39Å; L16-M23 HydrophobicContact CD1-CE 4.4Å; L16-M23 HydrophobicContact CD1-SD 3.76Å |
| 17 | G | 84.2 | Confident | 85.6 | Confident | 57 Ų | 57 | 82 Ų | 82 | 59% | 0.588 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 66.6 | -1.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K13 | K13-G17 PolarHBondContact O-N 2.72Š|
| 18 | L | 85.6 | Confident | 85.6 | Confident | 87 Ų | 87 | 83.5 Ų | 83.5 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -114.6 | 149.8 | -174.2 | -72.5 | 150 | 0 | 0 | 0 | 111.1 | K13 L16 E22 M23 | K13-L18 PolarHBondContact N-O 2.9Å; K13-L18 VanDerWaalsContact N-O 3.13Å; L16-L18 HydrophobicContact CB-CB 4.46Å; L16-L18 PolarHBondContact O-N 3.39Å; L18-E22 HydrophobicContact CD2-CB 4.21Å; L18-M23 HydrophobicContact CB-CG 4.44Å |
| 19 | A | 87.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 81.4 Ų | 81.4 | 2% | 0.017 | 48% | 0.477 | C | S | . | . | trans | -82.6 | 148.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T10 A21 E22 M23 | T10-A19 WeakPolarHBondContact O-CB 3.36Å; A19-A21 PolarHBondContact O-N 3.21Å; A19-A21 VanDerWaalsContact O-N 3.15Å; A19-E22 HydrophobicContact CB-CB 4.47Å; A19-E22 HydrophobicContact CB-CG 4.11Å; A19-E22 PolarHBondContact N-OE2 2.84Å; A19-E22 WeakPolarHBondContact O-CB 3.29Å; A19-E22 PolarHBondContact O-N 3.28Å; A19-M23 PolarHBondContact O-N 3.31Å; A19-M23 VanDerWaalsContact O-N 3.09Å | ||
| 20 | P | 88.2 | Confident | 85.1 | Confident | 57 Ų | 57 | 85.7 Ų | 85.7 | 37% | 0.37 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.7 | -33.5 | 175 | -27.9 | 34.5 | 0 | 0 | 0 | 113.9 | R9 A11 M23 V24 | R9-P20 WeakPolarHBondContact O-CD 3.49Å; A11-P20 WeakPolarHBondContact O-CD 3.35Å; P20-M23 PolarHBondContact O-N 2.85Å; P20-V24 WeakPolarHBondContact O-CG2 3.38Å; P20-V24 PolarHBondContact O-N 2.66Å |
| 21 | A | 88.6 | Confident | 84.7 | Confident | 4 Ų | 4 | 86.3 Ų | 86.3 | 3% | 0.033 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -68.9 | -35.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R9 A19 M23 V24 Y25 L29 | R9-A21 HydrophobicContact CB-CB 4.37Å; R9-A21 VanDerWaalsContact O-CB 3.27Å; R9-A21 WeakPolarHBondContact O-CB 3.26Å; R9-A21 PolarHBondContact O-N 2.84Å; A19-A21 PolarHBondContact O-N 3.21Å; A19-A21 VanDerWaalsContact O-N 3.15Å; A21-M23 VanDerWaalsContact C-N 3.35Å; A21-V24 PolarHBondContact O-N 2.91Å; A21-Y25 HydrophobicContact CB-CD2 4.36Å; A21-Y25 WeakPolarHBondContact O-CB 3.44Å; A21-Y25 WeakPolarHBondContact O-CD2 3.21Å; A21-Y25 PolarHBondContact O-N 2.79Å; A21-L29 HydrophobicContact CB-CD1 3.36Å; A21-L29 HydrophobicContact CB-CD2 4.47Å; A21-L29 HydrophobicContact CB-CG 3.56Å |
| 22 | E | 89.7 | Confident | 83.9 | Confident | 46 Ų | 46 | 90.2 Ų | 90.2 | 22% | 0.215 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 175.5 | -68.6 | 166.3 | 173 | 0 | 0 | 110.9 | L18 A19 V24 G26 S28 | L18-E22 HydrophobicContact CD2-CB 4.21Å; A19-E22 HydrophobicContact CB-CB 4.47Å; A19-E22 HydrophobicContact CB-CG 4.11Å; A19-E22 PolarHBondContact N-OE2 2.84Å; A19-E22 WeakPolarHBondContact O-CB 3.29Å; A19-E22 PolarHBondContact O-N 3.28Å; E22-V24 VanDerWaalsContact C-N 3.27Å; E22-V24 PolarHBondContact O-N 2.91Å; E22-G26 WeakPolarHBondContact O-CA 3.46Å; E22-G26 PolarHBondContact O-N 3.07Å; E22-S28 WeakPolarHBondContact OE1-CB 3.42Å; E22-S28 PolarHBondContact OE1-OG 3.14Å |
| 23 | M | 88.5 | Confident | 82.9 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 62% | 0.616 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -33.6 | 174.8 | -68.6 | -176.3 | 65.2 | 0 | 0 | 113.1 | L16 L18 A19 P20 A21 | L16-M23 HydrophobicContact CD1-CE 4.4Å; L16-M23 HydrophobicContact CD1-SD 3.76Å; L18-M23 HydrophobicContact CB-CG 4.44Å; A19-M23 PolarHBondContact O-N 3.31Å; A19-M23 VanDerWaalsContact O-N 3.09Å; P20-M23 PolarHBondContact O-N 2.85Å; A21-M23 VanDerWaalsContact C-N 3.35Å |
| 24 | V | 90.6 | Very high | 81.9 | Confident | 107 Ų | 107 | 90.6 Ų | 90.6 | 65% | 0.648 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -88.6 | -39.6 | -177 | 175.1 | 0 | 0 | 0 | 0 | 112 | P20 A21 E22 | P20-V24 WeakPolarHBondContact O-CG2 3.38Å; P20-V24 PolarHBondContact O-N 2.66Å; A21-V24 PolarHBondContact O-N 2.91Å; E22-V24 VanDerWaalsContact C-N 3.27Å; E22-V24 PolarHBondContact O-N 2.91Å |
| 25 | Y | 88.6 | Confident | 80.7 | Confident | 158 Ų | 158 | 92.4 Ų | 92.4 | 62% | 0.62 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -109.1 | -7.6 | -172.7 | -61.1 | -66.8 | 0 | 0 | 0 | 114.1 | A21 N27 | A21-Y25 HydrophobicContact CB-CD2 4.36Å; A21-Y25 WeakPolarHBondContact O-CB 3.44Å; A21-Y25 WeakPolarHBondContact O-CD2 3.21Å; A21-Y25 PolarHBondContact O-N 2.79Å; Y25-N27 PolarHBondContact O-N 3.4Å |
| 26 | G | 87.9 | Confident | 79.1 | Confident | 70 Ų | 70 | 94.1 Ų | 94.1 | 72% | 0.722 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 71 | 3.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E22 | E22-G26 WeakPolarHBondContact O-CA 3.46Å; E22-G26 PolarHBondContact O-N 3.07Å |
| 27 | N | 83.9 | Confident | 77.7 | Confident | 118 Ų | 118 | 93.2 Ų | 93.2 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -143.3 | 150.6 | -177.9 | -164.7 | 15.4 | 0 | 0 | 0 | 111.5 | Y25 | Y25-N27 PolarHBondContact O-N 3.4Š|
| 28 | S | 82.9 | Confident | 76.1 | Confident | 65 Ų | 65 | 95.5 Ų | 95.5 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | trans | -72.5 | 138.8 | 178.2 | -149.9 | 0 | 0 | 0 | 0 | 110.9 | E22 R30 | E22-S28 WeakPolarHBondContact OE1-CB 3.42Å; E22-S28 PolarHBondContact OE1-OG 3.14Å; S28-R30 PolarHBondContact O-N 2.78Å | ||
| 29 | L | 81.7 | Confident | 74.6 | Confident | 61 Ų | 61 | 96.4 Ų | 96.4 | 32% | 0.319 | 54% | 0.542 | S | S | . | . | trans | -79.8 | 113.3 | 178 | -65.6 | 174.7 | 0 | 0 | 0 | 109.7 | L6 R9 T10 A21 L31 | L6-L29 HydrophobicContact CD1-CD1 4.21Å; R9-L29 HydrophobicContact CB-CD1 4.43Å; T10-L29 HydrophobicContact CG2-CB 3.76Å; T10-L29 HydrophobicContact CG2-CD1 4.03Å; T10-L29 HydrophobicContact CG2-CG 4.4Å; A21-L29 HydrophobicContact CB-CD1 3.36Å; A21-L29 HydrophobicContact CB-CD2 4.47Å; A21-L29 HydrophobicContact CB-CG 3.56Å; L29-L31 PolarHBondContact O-N 2.87Å | ||
| 30 | R | 77.9 | Confident | 73.1 | Confident | 230 Ų | 230 | 100.7 Ų | 100.7 | 87% | 0.868 | 57% | 0.572 | S | S | * | * | trans | -65.4 | 106.5 | 170.9 | -169.2 | 175.9 | -177.3 | -176.1 | 1.6 | 110.1 | S28 | S28-R30 PolarHBondContact O-N 2.78Š| ||
| 31 | L | 77.1 | Confident | 71.5 | Confident | 48 Ų | 48 | 105.1 Ų | 105.1 | 25% | 0.251 | 59% | 0.592 | S | S | . | * | trans | -75.7 | 137.1 | 178.9 | -61.5 | 179.6 | 0 | 0 | 0 | 110.1 | L6 T10 L29 A33 E34 | L6-L31 HydrophobicContact CD1-CD2 3.64Å; L6-L31 HydrophobicContact CD2-CD2 3.42Å; L6-L31 VanDerWaalsContact CD2-CD2 3.42Å; L6-L31 HydrophobicContact CG-CD2 3.35Å; T10-L31 HydrophobicContact CG2-CD1 4.4Å; T10-L31 HydrophobicContact CG2-CD2 3.72Å; T10-L31 HydrophobicContact CG2-CG 4.19Å; L29-L31 PolarHBondContact O-N 2.87Å; L31-A33 PolarHBondContact O-N 3.45Å; L31-E34 HydrophobicContact CB-CB 4.25Å; L31-E34 PolarHBondContact O-N 3.48Å | ||
| 32 | P | 67.9 | Low | 69.9 | Low | 137 Ų | 137 | 112.1 Ų | 112.1 | 89% | 0.89 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -17.9 | 170.8 | -23.1 | 32.8 | 0 | 0 | 0 | 113.8 | ||
| 33 | A | 62.8 | Low | 68.2 | Low | 72 Ų | 72 | 116.4 Ų | 116.4 | 60% | 0.595 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 25.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L31 L35 | L31-A33 PolarHBondContact O-N 3.45Å; A33-L35 PolarHBondContact O-N 3.25Å |
| 34 | E | 60.7 | Low | 66.7 | Low | 137 Ų | 137 | 118.2 Ų | 118.2 | 64% | 0.64 | 66% | 0.659 | S | S | * | * | trans | -66.5 | 66.6 | 157.5 | -166.4 | 177.3 | -175.5 | 0 | 0 | 108 | L31 I36 | L31-E34 HydrophobicContact CB-CB 4.25Å; L31-E34 PolarHBondContact O-N 3.48Å; E34-I36 PolarHBondContact O-N 2.78Å; E34-I36 VanDerWaalsContact O-N 3.07Å | ||
| 35 | L | 53.1 | Low | 65.5 | Low | 148 Ų | 148 | 116 Ų | 116 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | trans | -65.1 | 108.3 | 167.7 | -80.9 | 159.5 | 0 | 0 | 0 | 104.6 | A33 A37 | A33-L35 PolarHBondContact O-N 3.25Å; L35-A37 PolarHBondContact O-N 3.42Å | ||
| 36 | I | 50.7 | Low | 64.9 | Low | 162 Ų | 162 | 111.8 Ų | 111.8 | 83% | 0.831 | 63% | 0.634 | S | S | * | * | trans | -60 | 79.6 | 160.3 | -52.6 | 177.1 | 0 | 0 | 0 | 106.2 | E34 | E34-I36 PolarHBondContact O-N 2.78Å; E34-I36 VanDerWaalsContact O-N 3.07Å | ||
| 37 | A | 53.9 | Low | 64.4 | Low | 67 Ų | 67 | 113 Ų | 113 | 55% | 0.554 | 63% | 0.63 | S | S | * | * | trans | -109.7 | 100.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 103.9 | L35 T39 | L35-A37 PolarHBondContact O-N 3.42Å; A37-T39 PolarHBondContact O-N 2.84Å | ||
| 38 | P | 50.1 | Low | 64.3 | Low | 105 Ų | 105 | 111.8 Ų | 111.8 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | trans | -52.4 | 115.2 | 163.5 | 22.7 | -30.8 | 0 | 0 | 0 | 106 | S40 | P38-S40 PolarHBondContact O-N 2.86Š| ||
| 39 | T | 55.2 | Low | 64.4 | Low | 106 Ų | 106 | 112.1 Ų | 112.1 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | trans | -76.6 | 75.3 | 169.9 | 32.6 | 0 | 0 | 0 | 0 | 105.9 | A37 D41 | A37-T39 PolarHBondContact O-N 2.84Å; T39-D41 PolarHBondContact O-N 2.86Å; T39-D41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | S | 55.3 | Low | 64.5 | Low | 92 Ų | 92 | 114.4 Ų | 114.4 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 112.5 | 160.5 | -49.4 | 0 | 0 | 0 | 0 | 105.4 | P38 | P38-S40 PolarHBondContact O-N 2.86Š|
| 41 | D | 54.3 | Low | 64.9 | Low | 149 Ų | 149 | 106.4 Ų | 106.4 | 80% | 0.797 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.2 | 66.5 | 168.4 | -45.9 | -35.3 | 0 | 0 | 0 | 116.8 | T39 | T39-D41 PolarHBondContact O-N 2.86Å; T39-D41 VanDerWaalsContact O-N 3.09Å |
| 42 | R | 56 | Low | 65.4 | Low | 151 Ų | 151 | 111.8 Ų | 111.8 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | trans | -125 | 59.5 | 156.3 | -78.1 | 174.7 | 77.7 | 163.5 | 2.7 | 111.2 | N44 V45 | R42-N44 PolarHBondContact O-N 2.83Å; R42-V45 HydrophobicContact CB-CG2 4.23Å; R42-V45 HydrophobicContact CG-CG2 4.07Å | ||
| 43 | T | 54.3 | Low | 66.4 | Low | 136 Ų | 136 | 109.5 Ų | 109.5 | 83% | 0.834 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 117.9 | 154.2 | 46.6 | 0 | 0 | 0 | 0 | 107.5 | ||
| 44 | N | 56.2 | Low | 67.5 | Low | 163 Ų | 163 | 110.2 Ų | 110.2 | 87% | 0.872 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 55.2 | 164.3 | -114.8 | -21 | 0 | 0 | 0 | 117.5 | R42 D46 | R42-N44 PolarHBondContact O-N 2.83Å; N44-D46 PolarHBondContact O-N 2.79Å |
| 45 | V | 65.1 | Low | 68.8 | Low | 60 Ų | 60 | 110.6 Ų | 110.6 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | trans | -73.8 | 111.3 | 156.2 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | R42 P47 F50 | R42-V45 HydrophobicContact CB-CG2 4.23Å; R42-V45 HydrophobicContact CG-CG2 4.07Å; V45-P47 VanDerWaalsContact O-N 3.17Å; V45-F50 HydrophobicContact CG1-CB 4.1Å | ||
| 46 | D | 76.8 | Confident | 70.6 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 38% | 0.38 | 58% | 0.583 | S | S | . | * | trans | -49.4 | 121.5 | 171.6 | 174.7 | 7 | 0 | 0 | 0 | 108.8 | N44 T48 D49 F50 | N44-D46 PolarHBondContact O-N 2.79Å; D46-T48 PolarHBondContact O-N 2.77Å; D46-T48 VanDerWaalsContact OD1-CB 3.31Å; D46-T48 WeakPolarHBondContact OD1-CB 3.47Å; D46-T48 PolarHBondContact OD1-N 3.34Å; D46-T48 PolarHBondContact OD1-OG1 2.96Å; D46-T48 WeakPolarHBondContact OD2-CB 3.17Å; D46-D49 HydrophobicContact CB-CB 4.42Å; D46-D49 PolarHBondContact O-N 2.84Å; D46-F50 PolarHBondContact O-N 3.37Å | ||
| 47 | P | 77 | Confident | 72.4 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -54.6 | -28.9 | 179 | 22.4 | -34.8 | 0 | 0 | 0 | 112.2 | V45 T51 | V45-P47 VanDerWaalsContact O-N 3.17Å; P47-T51 VanDerWaalsContact O-CG2 3.27Å; P47-T51 WeakPolarHBondContact O-CG2 3.22Å; P47-T51 PolarHBondContact O-N 3.08Å; P47-T51 PolarHBondContact O-OG1 2.96Å |
| 48 | T | 82.4 | Confident | 74 | Confident | 92 Ų | 92 | 102.7 Ų | 102.7 | 56% | 0.564 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.7 | -43.3 | 177.6 | -42.6 | 0 | 0 | 0 | 0 | 111.5 | D46 T51 R52 | D46-T48 PolarHBondContact O-N 2.77Å; D46-T48 VanDerWaalsContact OD1-CB 3.31Å; D46-T48 WeakPolarHBondContact OD1-CB 3.47Å; D46-T48 PolarHBondContact OD1-N 3.34Å; D46-T48 PolarHBondContact OD1-OG1 2.96Å; D46-T48 WeakPolarHBondContact OD2-CB 3.17Å; T48-T51 PolarHBondContact O-OG1 3.14Å; T48-R52 WeakPolarHBondContact O-CB 3.31Å; T48-R52 PolarHBondContact O-N 3.12Å |
| 49 | D | 85.1 | Confident | 75.8 | Confident | 71 Ų | 71 | 108.2 Ų | 108.2 | 38% | 0.38 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.9 | -41.4 | 178.4 | -91.9 | -33 | 0 | 0 | 0 | 112.4 | D46 T51 R52 V53 | D46-D49 HydrophobicContact CB-CB 4.42Å; D46-D49 PolarHBondContact O-N 2.84Å; D49-T51 PolarHBondContact O-N 3.03Å; D49-R52 WeakPolarHBondContact O-CB 3.43Å; D49-R52 PolarHBondContact O-N 3.08Å; D49-R52 IonicContact OD1-CZ 3.43Å; D49-R52 IonicContact OD1-NE 3.17Å; D49-R52 PolarHBondContact OD1-NE 3.02Å; D49-R52 VanDerWaalsContact OD1-NE 3.17Å; D49-R52 IonicContact OD1-NH2 2.82Å; D49-R52 PolarHBondContact OD1-NH2 3.2Å; D49-V53 WeakPolarHBondContact O-CG2 3.42Å; D49-V53 PolarHBondContact O-N 3.12Å |
| 50 | F | 83.3 | Confident | 77.5 | Confident | 109 Ų | 109 | 111.4 Ų | 111.4 | 48% | 0.478 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.8 | -46.6 | 176.2 | 179 | -103 | 0 | 0 | 0 | 111.7 | V45 D46 R52 V53 L54 | V45-F50 HydrophobicContact CG1-CB 4.1Å; D46-F50 PolarHBondContact O-N 3.37Å; F50-R52 VanDerWaalsContact C-N 3.29Å; F50-R52 PolarHBondContact O-N 2.94Å; F50-V53 PolarHBondContact O-N 2.97Å; F50-L54 HydrophobicContact CE1-CD2 4.39Å; F50-L54 WeakPolarHBondContact O-CB 3.42Å; F50-L54 PolarHBondContact O-N 3.11Å |
| 51 | T | 85.1 | Confident | 78.9 | Confident | 63 Ų | 63 | 112.7 Ų | 112.7 | 39% | 0.387 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.8 | -33.1 | 178.7 | 62 | 0 | 0 | 0 | 0 | 112.1 | P47 T48 D49 K55 | P47-T51 VanDerWaalsContact O-CG2 3.27Å; P47-T51 WeakPolarHBondContact O-CG2 3.22Å; P47-T51 PolarHBondContact O-N 3.08Å; P47-T51 PolarHBondContact O-OG1 2.96Å; T48-T51 PolarHBondContact O-OG1 3.14Å; D49-T51 PolarHBondContact O-N 3.03Å; T51-K55 VanDerWaalsContact O-CB 3.3Å; T51-K55 WeakPolarHBondContact O-CB 3.16Å; T51-K55 VanDerWaalsContact O-CG 3.25Å; T51-K55 WeakPolarHBondContact O-CG 3.5Å; T51-K55 PolarHBondContact O-N 2.77Å |
| 52 | R | 88.2 | Confident | 80.3 | Confident | 161 Ų | 161 | 116.1 Ų | 116.1 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.7 | -48.2 | 173.3 | -177.5 | 176.4 | 65.4 | 102.5 | -2.7 | 111.5 | T48 D49 F50 K55 A56 | T48-R52 WeakPolarHBondContact O-CB 3.31Å; T48-R52 PolarHBondContact O-N 3.12Å; D49-R52 WeakPolarHBondContact O-CB 3.43Å; D49-R52 PolarHBondContact O-N 3.08Å; D49-R52 IonicContact OD1-CZ 3.43Å; D49-R52 IonicContact OD1-NE 3.17Å; D49-R52 PolarHBondContact OD1-NE 3.02Å; D49-R52 VanDerWaalsContact OD1-NE 3.17Å; D49-R52 IonicContact OD1-NH2 2.82Å; D49-R52 PolarHBondContact OD1-NH2 3.2Å; F50-R52 VanDerWaalsContact C-N 3.29Å; F50-R52 PolarHBondContact O-N 2.94Å; R52-K55 PolarHBondContact O-N 2.81Å; R52-A56 WeakPolarHBondContact O-CB 3.36Å; R52-A56 PolarHBondContact O-N 3.35Å |
| 53 | V | 89.1 | Confident | 81.6 | Confident | 89 Ų | 89 | 115.1 Ų | 115.1 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.9 | -44.9 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | D49 F50 A56 A57 | D49-V53 WeakPolarHBondContact O-CG2 3.42Å; D49-V53 PolarHBondContact O-N 3.12Å; F50-V53 PolarHBondContact O-N 2.97Å; V53-A56 WeakPolarHBondContact O-CB 3.25Å; V53-A56 PolarHBondContact O-N 2.93Å; V53-A57 WeakPolarHBondContact O-CB 3.23Å; V53-A57 PolarHBondContact O-N 2.8Å |
| 54 | L | 85.3 | Confident | 83.1 | Confident | 86 Ų | 86 | 116.3 Ų | 116.3 | 45% | 0.45 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.2 | -46.2 | 177.1 | 179.4 | 62.1 | 0 | 0 | 0 | 111.7 | F50 A56 A57 M58 | F50-L54 HydrophobicContact CE1-CD2 4.39Å; F50-L54 WeakPolarHBondContact O-CB 3.42Å; F50-L54 PolarHBondContact O-N 3.11Å; L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 2.86Å; L54-A57 PolarHBondContact O-N 3.34Å; L54-M58 HydrophobicContact CD1-CG 4.11Å; L54-M58 HydrophobicContact CG-CG 4.36Å; L54-M58 WeakPolarHBondContact O-CB 3.45Å; L54-M58 VanDerWaalsContact O-CG 3.3Å; L54-M58 WeakPolarHBondContact O-CG 3.39Å; L54-M58 PolarHBondContact O-N 3.19Å |
| 55 | K | 88.7 | Confident | 84.4 | Confident | 145 Ų | 145 | 117 Ų | 117 | 63% | 0.63 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.8 | -43.1 | 174.8 | -79.3 | 175.4 | -179.3 | 175.2 | 0 | 111 | T51 R52 M58 R59 | T51-K55 VanDerWaalsContact O-CB 3.3Å; T51-K55 WeakPolarHBondContact O-CB 3.16Å; T51-K55 VanDerWaalsContact O-CG 3.25Å; T51-K55 WeakPolarHBondContact O-CG 3.5Å; T51-K55 PolarHBondContact O-N 2.77Å; R52-K55 PolarHBondContact O-N 2.81Å; K55-M58 PolarHBondContact O-N 2.76Å; K55-R59 WeakPolarHBondContact O-CB 3.44Å; K55-R59 VanDerWaalsContact O-CG 3.26Å; K55-R59 WeakPolarHBondContact O-CG 2.97Å; K55-R59 PolarHBondContact O-N 3.33Å |
| 56 | A | 89.9 | Confident | 85.3 | Confident | 49 Ų | 49 | 119.9 Ų | 119.9 | 41% | 0.405 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.8 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R52 V53 L54 R59 K60 | R52-A56 WeakPolarHBondContact O-CB 3.36Å; R52-A56 PolarHBondContact O-N 3.35Å; V53-A56 WeakPolarHBondContact O-CB 3.25Å; V53-A56 PolarHBondContact O-N 2.93Å; L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 2.86Å; A56-R59 PolarHBondContact O-N 3.07Å; A56-K60 WeakPolarHBondContact O-CG 3.37Å; A56-K60 PolarHBondContact O-N 2.88Å |
| 57 | A | 88.9 | Confident | 85.6 | Confident | 48 Ų | 48 | 128.1 Ų | 128.1 | 40% | 0.397 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.3 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | V53 L54 R59 K60 L61 | V53-A57 WeakPolarHBondContact O-CB 3.23Å; V53-A57 PolarHBondContact O-N 2.8Å; L54-A57 PolarHBondContact O-N 3.34Å; A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 3.31Å; A57-K60 WeakPolarHBondContact O-CB 3.42Å; A57-K60 PolarHBondContact O-N 2.76Å; A57-L61 PolarHBondContact O-N 2.81Å |
| 58 | M | 88 | Confident | 85.8 | Confident | 114 Ų | 114 | 130.7 Ų | 130.7 | 56% | 0.562 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.9 | -35.5 | 177.3 | -70.5 | -65.8 | -67.3 | 0 | 0 | 112.1 | L54 K55 K60 L61 | L54-M58 HydrophobicContact CD1-CG 4.11Å; L54-M58 HydrophobicContact CG-CG 4.36Å; L54-M58 WeakPolarHBondContact O-CB 3.45Å; L54-M58 VanDerWaalsContact O-CG 3.3Å; L54-M58 WeakPolarHBondContact O-CG 3.39Å; L54-M58 PolarHBondContact O-N 3.19Å; K55-M58 PolarHBondContact O-N 2.76Å; M58-K60 VanDerWaalsContact C-N 3.25Å; M58-K60 PolarHBondContact O-N 2.75Å; M58-L61 HydrophobicContact CE-CD1 4.26Å; M58-L61 WeakPolarHBondContact O-CB 3.28Å; M58-L61 PolarHBondContact O-N 3.26Å; M58-L61 VanDerWaalsContact O-N 3.16Å; M58-L61 HydrophobicContact SD-CD1 3.61Å |
| 59 | R | 87.9 | Confident | 85.7 | Confident | 221 Ų | 221 | 132.5 Ų | 132.5 | 83% | 0.834 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.5 | -26.1 | 173.6 | -76.6 | -179.6 | 71.7 | -164.7 | 2.4 | 113.4 | K55 A56 A57 L61 | K55-R59 WeakPolarHBondContact O-CB 3.44Å; K55-R59 VanDerWaalsContact O-CG 3.26Å; K55-R59 WeakPolarHBondContact O-CG 2.97Å; K55-R59 PolarHBondContact O-N 3.33Å; A56-R59 PolarHBondContact O-N 3.07Å; A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 3.31Å; R59-L61 VanDerWaalsContact C-N 3.34Å |
| 60 | K | 90 | Very high | 85.5 | Confident | 173 Ų | 173 | 135.1 Ų | 135.1 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.7 | -23.9 | 174.4 | -67.7 | 174.9 | -177.9 | -178.7 | 0 | 112.2 | A56 A57 M58 R62 | A56-K60 WeakPolarHBondContact O-CG 3.37Å; A56-K60 PolarHBondContact O-N 2.88Å; A57-K60 WeakPolarHBondContact O-CB 3.42Å; A57-K60 PolarHBondContact O-N 2.76Å; M58-K60 VanDerWaalsContact C-N 3.25Å; M58-K60 PolarHBondContact O-N 2.75Å; K60-R62 PolarHBondContact O-N 3.35Å |
| 61 | L | 84.9 | Confident | 85.5 | Confident | 120 Ų | 120 | 139.8 Ų | 139.8 | 63% | 0.628 | 68% | 0.679 | S | S | * | * | trans | -68.4 | 103.6 | 176.3 | -61.8 | 176 | 0 | 0 | 0 | 109.1 | A57 M58 R59 | A57-L61 PolarHBondContact O-N 2.81Å; M58-L61 HydrophobicContact CE-CD1 4.26Å; M58-L61 WeakPolarHBondContact O-CB 3.28Å; M58-L61 PolarHBondContact O-N 3.26Å; M58-L61 VanDerWaalsContact O-N 3.16Å; M58-L61 HydrophobicContact SD-CD1 3.61Å; R59-L61 VanDerWaalsContact C-N 3.34Å | ||
| 62 | R | 84.7 | Confident | 85.2 | Confident | 221 Ų | 221 | 140.9 Ų | 140.9 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 135.1 | 171.7 | -69 | -175.3 | 175.5 | -169.7 | -1.3 | 109 | K60 I64 | K60-R62 PolarHBondContact O-N 3.35Å; R62-I64 PolarHBondContact O-N 3.42Å; R62-I64 VanDerWaalsContact O-N 3.15Å |
| 63 | P | 82.9 | Confident | 84.8 | Confident | 129 Ų | 129 | 138.6 Ų | 138.6 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 122.4 | 166.9 | -21.9 | 32.1 | 0 | 0 | 0 | 109.2 | ||
| 64 | I | 85.3 | Confident | 84.6 | Confident | 161 Ų | 161 | 143.2 Ų | 143.2 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 131.3 | 171.4 | -59.7 | 172.4 | 0 | 0 | 0 | 106.4 | R62 | R62-I64 PolarHBondContact O-N 3.42Å; R62-I64 VanDerWaalsContact O-N 3.15Å |
| 65 | Q | 84.3 | Confident | 84.6 | Confident | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -56 | 130.6 | 174.9 | -69.8 | -173 | 15.3 | 0 | 0 | 109 | R67 | Q65-R67 PolarHBondContact O-N 3.28Š|
| 66 | P | 82.9 | Confident | 84.5 | Confident | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -53 | 143.3 | 172.4 | -22.5 | 31.9 | 0 | 0 | 0 | 109.6 | L68 | P66-L68 PolarHBondContact O-N 3.48Š|
| 67 | R | 84.1 | Confident | 84.5 | Confident | 243 Ų | 243 | 142.6 Ų | 142.6 | 92% | 0.917 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 131.2 | 172.6 | -66.2 | -177.1 | -178.7 | -178.8 | 0.2 | 108.5 | Q65 N69 | Q65-R67 PolarHBondContact O-N 3.28Å; R67-N69 PolarHBondContact O-N 2.84Å; R67-N69 VanDerWaalsContact O-N 3.09Å |
| 68 | L | 81 | Confident | 84.3 | Confident | 151 Ų | 151 | 147.6 Ų | 147.6 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 117.8 | 173.5 | -179.2 | 67 | 0 | 0 | 0 | 108.2 | P66 T70 | P66-L68 PolarHBondContact O-N 3.48Å; L68-T70 HydrophobicContact CD2-CG2 3.93Å; L68-T70 HydrophobicContact CG-CG2 4.1Å; L68-T70 PolarHBondContact O-N 3.33Å; L68-T70 VanDerWaalsContact O-N 3.14Å |
| 69 | N | 79.8 | Confident | 84.4 | Confident | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | trans | -77.8 | 98.9 | 171.7 | -170.8 | -5.8 | 0 | 0 | 0 | 108 | R67 R71 | R67-N69 PolarHBondContact O-N 2.84Å; R67-N69 VanDerWaalsContact O-N 3.09Å; N69-R71 WeakPolarHBondContact OD1-CB 3.49Å; N69-R71 PolarHBondContact OD1-N 3.36Å; N69-R71 VanDerWaalsContact OD1-N 3.1Å | ||
| 70 | T | 81.1 | Confident | 84.4 | Confident | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | trans | -81.4 | -3.3 | 176.9 | 49.8 | 0 | 0 | 0 | 0 | 113 | L68 A72 | L68-T70 HydrophobicContact CD2-CG2 3.93Å; L68-T70 HydrophobicContact CG-CG2 4.1Å; L68-T70 PolarHBondContact O-N 3.33Å; L68-T70 VanDerWaalsContact O-N 3.14Å; T70-A72 PolarHBondContact O-N 3.3Å | ||
| 71 | R | 82.6 | Confident | 84.3 | Confident | 207 Ų | 207 | 135.6 Ų | 135.6 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -70.1 | 126.6 | 180 | -169.8 | 177.9 | 176.4 | 178.4 | -0.2 | 109.3 | N69 T73 | N69-R71 WeakPolarHBondContact OD1-CB 3.49Å; N69-R71 PolarHBondContact OD1-N 3.36Å; N69-R71 VanDerWaalsContact OD1-N 3.1Å; R71-T73 PolarHBondContact O-N 3.09Å |
| 72 | A | 79.3 | Confident | 84.4 | Confident | 87 Ų | 87 | 130.5 Ų | 130.5 | 72% | 0.719 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 126.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | T70 F74 | T70-A72 PolarHBondContact O-N 3.3Å; A72-F74 PolarHBondContact O-N 3.1Å |
| 73 | T | 80.6 | Confident | 84.8 | Confident | 113 Ų | 113 | 121.9 Ų | 121.9 | 69% | 0.693 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 127.9 | 175.1 | -51 | 0 | 0 | 0 | 0 | 108.8 | R71 V75 | R71-T73 PolarHBondContact O-N 3.09Å; T73-V75 PolarHBondContact O-N 3.14Å |
| 74 | F | 84.6 | Confident | 85.3 | Confident | 185 Ų | 185 | 118.3 Ų | 118.3 | 81% | 0.811 | 60% | 0.6 | S | S | * | * | trans | -71.6 | 112.6 | 174.6 | 176.5 | -102.6 | 0 | 0 | 0 | 109.3 | A72 | A72-F74 PolarHBondContact O-N 3.1Š| ||
| 75 | V | 85.9 | Confident | 85.8 | Confident | 69 Ų | 69 | 110.6 Ų | 110.6 | 42% | 0.418 | 56% | 0.56 | S | S | . | * | trans | -107.8 | 128.9 | 170 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | T73 Q77 L79 I127 | T73-V75 PolarHBondContact O-N 3.14Å; V75-Q77 PolarHBondContact O-N 3.09Å; V75-L79 HydrophobicContact CG1-CD1 4.19Å; V75-I127 HydrophobicContact CG1-CG2 3.85Å; V75-I127 HydrophobicContact CG2-CG2 4.5Å | ||
| 76 | S | 86.4 | Confident | 86.2 | Confident | 32 Ų | 32 | 105.7 Ų | 105.7 | 22% | 0.224 | 54% | 0.536 | C | S | . | . | trans | -66.7 | 126.6 | 176.6 | 57.5 | 0 | 0 | 0 | 0 | 110 | R78 L79 | S76-R78 PolarHBondContact O-N 3.33Å; S76-R78 VanDerWaalsContact O-N 3.08Å; S76-L79 WeakPolarHBondContact O-CB 3.31Å; S76-L79 PolarHBondContact O-N 3.46Å; S76-L79 VanDerWaalsContact OG-CD1 3.23Å; S76-L79 WeakPolarHBondContact OG-CD1 3.19Å; S76-L79 VanDerWaalsContact OG-CG 3.28Å; S76-L79 WeakPolarHBondContact OG-CG 3.24Å | ||
| 77 | Q | 88.4 | Confident | 86.8 | Confident | 166 Ų | 166 | 100.1 Ų | 100.1 | 78% | 0.776 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -32.3 | 179.2 | -67.4 | 174.7 | -11.6 | 0 | 0 | 112.6 | V75 L79 N80 | V75-Q77 PolarHBondContact O-N 3.09Å; Q77-L79 PolarHBondContact O-N 3.1Å; Q77-L79 VanDerWaalsContact O-N 3.14Å; Q77-N80 WeakPolarHBondContact O-CB 3.38Å; Q77-N80 PolarHBondContact O-N 3.15Å; Q77-N80 VanDerWaalsContact O-N 3.08Å |
| 78 | R | 86.6 | Confident | 87.2 | Confident | 154 Ų | 154 | 92 Ų | 92 | 58% | 0.581 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.5 | -18.5 | 178 | -60.6 | -165.4 | -179.9 | 179.7 | -4.9 | 114.4 | S76 N80 D81 C82 P132 | S76-R78 PolarHBondContact O-N 3.33Å; S76-R78 VanDerWaalsContact O-N 3.08Å; R78-N80 PolarHBondContact O-N 3.37Å; R78-D81 PolarHBondContact O-N 3.07Å; R78-C82 WeakPolarHBondContact O-CB 3.34Å; R78-C82 PolarHBondContact O-N 3.41Å; R78-P132 HydrophobicContact CB-CB 4.42Å; R78-P132 HydrophobicContact CB-CG 4.49Å |
| 79 | L | 88.7 | Confident | 87.7 | Confident | 11 Ų | 11 | 88.7 Ų | 88.7 | 6% | 0.058 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -70 | -18.5 | 175.2 | -76.2 | 166.7 | 0 | 0 | 0 | 112.9 | V75 S76 Q77 V85 L114 I127 P132 | V75-L79 HydrophobicContact CG1-CD1 4.19Å; S76-L79 WeakPolarHBondContact O-CB 3.31Å; S76-L79 PolarHBondContact O-N 3.46Å; S76-L79 VanDerWaalsContact OG-CD1 3.23Å; S76-L79 WeakPolarHBondContact OG-CD1 3.19Å; S76-L79 VanDerWaalsContact OG-CG 3.28Å; S76-L79 WeakPolarHBondContact OG-CG 3.24Å; Q77-L79 PolarHBondContact O-N 3.1Å; Q77-L79 VanDerWaalsContact O-N 3.14Å; L79-V85 HydrophobicContact CD2-CG1 3.86Å; L79-L114 HydrophobicContact CD2-CD1 4.46Å; L79-I127 HydrophobicContact CD1-CG2 3.93Å; L79-P132 HydrophobicContact CD2-CB 4.2Å |
| 80 | N | 87.6 | Confident | 87.9 | Confident | 105 Ų | 105 | 88 Ų | 88 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -71.7 | -36.3 | 174.4 | -64.2 | -26.2 | 0 | 0 | 0 | 111.4 | Q77 R78 R109 | Q77-N80 WeakPolarHBondContact O-CB 3.38Å; Q77-N80 PolarHBondContact O-N 3.15Å; Q77-N80 VanDerWaalsContact O-N 3.08Å; R78-N80 PolarHBondContact O-N 3.37Å; N80-R109 WeakPolarHBondContact O-CD 3.26Å; N80-R109 PolarHBondContact O-NE 3.07Å |
| 81 | D | 88.4 | Confident | 88 | Confident | 140 Ų | 140 | 85 Ų | 85 | 75% | 0.749 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -113.5 | -5.4 | -169.5 | -52.6 | -37.6 | 0 | 0 | 0 | 113.8 | R78 | R78-D81 PolarHBondContact O-N 3.07Å |
| 82 | C | 88.2 | Confident | 87.7 | Confident | 12 Ų | 12 | 80.8 Ų | 80.8 | 8% | 0.081 | 44% | 0.438 | C | S | . | . | trans | -70.2 | 134.3 | -175.2 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | R78 V85 R109 P132 | R78-C82 WeakPolarHBondContact O-CB 3.34Å; R78-C82 PolarHBondContact O-N 3.41Å; C82-V85 WeakPolarHBondContact SG-CG1 3.39Å; C82-R109 PolarHBondContact O-NH2 3.25Å; C82-P132 HydrophobicContact CB-CB 4.13Å | ||
| 83 | S | 91.6 | Very high | 87.2 | Confident | 40 Ų | 40 | 78.9 Ų | 78.9 | 28% | 0.28 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -68.7 | -40.7 | 175.4 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | V106 D138 | S83-V106 PolarHBondContact O-N 3.32Å; S83-V106 VanDerWaalsContact O-N 3.11Å; S83-D138 PolarHBondContact OG-OD1 3.21Å |
| 84 | H | 94 | Very high | 87.2 | Confident | 54 Ų | 54 | 76 Ų | 76 | 25% | 0.25 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151 | -175.5 | -62.7 | 75.4 | 0 | 0 | 0 | 112 | P103 H104 A133 L135 | H84-P103 HydrophobicContact CB-CB 3.95Å; H84-H104 CarbonylContact C-O 3.58Å; H84-H104 VanDerWaalsContact CA-O 3.29Å; H84-H104 WeakPolarHBondContact CA-O 3.47Å; H84-A133 HydrophobicContact CB-CB 3.91Å; H84-A133 WeakPolarHBondContact O-CB 3.38Å; H84-A133 PolarHBondContact O-N 3.4Å; H84-L135 HydrophobicContact CB-CD1 4.31Å; H84-L135 VanDerWaalsContact CE1-CD1 3.49Å; H84-L135 WeakPolarHBondContact CE1-CD1 3.49Å; H84-L135 VanDerWaalsContact ND1-CD1 3.29Å; H84-L135 WeakPolarHBondContact ND1-CD1 3.48Å |
| 85 | V | 94.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.3 | 178.2 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | L79 C82 V87 G102 H104 V106 L114 I116 T130 K131 | L79-V85 HydrophobicContact CD2-CG1 3.86Å; C82-V85 WeakPolarHBondContact SG-CG1 3.39Å; V85-V87 HydrophobicContact CG2-CG2 4.31Å; V85-G102 VanDerWaalsContact O-O 3.12Å; V85-H104 PolarHBondContact N-O 3.31Å; V85-H104 PolarHBondContact O-N 3.26Å; V85-V106 HydrophobicContact CB-CG2 4.21Å; V85-V106 HydrophobicContact CG1-CG2 3.64Å; V85-V106 HydrophobicContact CG2-CG2 3.66Å; V85-L114 HydrophobicContact CG1-CD1 4.32Å; V85-I116 HydrophobicContact CG2-CG2 3.62Å; V85-T130 HydrophobicContact CG2-CG2 4.49Å; V85-K131 CarbonylContact C-O 3.52Å; V85-K131 VanDerWaalsContact CA-O 3.22Å; V85-K131 WeakPolarHBondContact CA-O 3.4Å; V85-K131 WeakPolarHBondContact CB-O 3.39Å |
| 86 | F | 94.7 | Very high | 87 | Confident | 74 Ų | 74 | 80.4 Ų | 80.4 | 33% | 0.325 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 138.2 | 166.2 | -67.8 | -75.3 | 0 | 0 | 0 | 110.1 | Y100 S101 G102 P103 T130 K131 A133 | F86-Y100 HydrophobicContact CB-CD1 4.18Å; F86-S101 WeakPolarHBondContact CD1-O 3.44Å; F86-G102 VanDerWaalsContact CD1-C 3.44Å; F86-P103 HydrophobicContact CE1-CB 4.5Å; F86-T130 CarbonylContact O-C 3.59Å; F86-T130 VanDerWaalsContact O-CA 3.25Å; F86-T130 WeakPolarHBondContact O-CA 3.43Å; F86-K131 HydrophobicContact CB-CB 4.31Å; F86-K131 PolarHBondContact N-O 2.96Å; F86-K131 PolarHBondContact O-N 3.02Å; F86-A133 HydrophobicContact CD2-CB 3.66Å; F86-A133 HydrophobicContact CE2-CB 3.38Å; F86-A133 HydrophobicContact CG-CB 4.49Å; F86-A133 HydrophobicContact CZ-CB 4.01Å |
| 87 | V | 94.5 | Very high | 87 | Confident | 4 Ų | 4 | 81.1 Ų | 81.1 | 2% | 0.024 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.3 | -173.2 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | V85 E89 Y100 S101 I116 V125 T130 | V85-V87 HydrophobicContact CG2-CG2 4.31Å; V87-E89 PolarHBondContact O-N 3.13Å; V87-Y100 CarbonylContact O-C 3.46Å; V87-Y100 VanDerWaalsContact O-CA 3.31Å; V87-Y100 WeakPolarHBondContact O-CA 3.1Å; V87-S101 PolarHBondContact N-O 3.34Å; V87-S101 VanDerWaalsContact N-O 3.14Å; V87-S101 PolarHBondContact O-N 2.77Å; V87-I116 HydrophobicContact CB-CD1 4.35Å; V87-I116 HydrophobicContact CG1-CD1 4.4Å; V87-I116 HydrophobicContact CG2-CD1 3.34Å; V87-V125 HydrophobicContact CG1-CG1 3.95Å; V87-T130 HydrophobicContact CG2-CG2 4.39Å |
| 88 | R | 92.9 | Very high | 87 | Confident | 74 Ų | 74 | 77.4 Ų | 77.4 | 28% | 0.279 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124.1 | 175.4 | -177.7 | 178.8 | 165.9 | -152 | -7 | 110.5 | R99 Y100 R129 | R88-R99 WeakPolarHBondContact CA-O 3.39Å; R88-R99 HydrophobicContact CG-CG 4.22Å; R88-Y100 HydrophobicContact CB-CD1 4.03Å; R88-Y100 HydrophobicContact CB-CE1 3.76Å; R88-R129 HydrophobicContact CB-CB 4.25Å; R88-R129 WeakPolarHBondContact CB-O 3.35Å; R88-R129 PolarHBondContact N-O 3.38Å; R88-R129 PolarHBondContact O-NE 3.15Å; R88-R129 PolarHBondContact O-NH2 2.96Å |
| 89 | E | 90.7 | Very high | 87.2 | Confident | 80 Ų | 80 | 76.8 Ų | 76.8 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 138.2 | 173.3 | -63.1 | -174.7 | 176.7 | 0 | 0 | 110.4 | V87 R99 S101 | V87-E89 PolarHBondContact O-N 3.13Å; E89-R99 PolarHBondContact N-O 3.22Å; E89-R99 VanDerWaalsContact N-O 3.07Å; E89-S101 WeakPolarHBondContact OE1-CB 3.26Å |
| 90 | E | 84 | Confident | 87.4 | Confident | 117 Ų | 117 | 79.8 Ų | 79.8 | 55% | 0.547 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -95.9 | 126.9 | 175.4 | -69.4 | -71.7 | 170.7 | 0 | 0 | 109.2 | R129 | E90-R129 VanDerWaalsContact CG-NH1 3.34Å; E90-R129 VanDerWaalsContact CG-NH2 3.28Å; E90-R129 VanDerWaalsContact OE1-CD 3.24Å; E90-R129 WeakPolarHBondContact OE1-CD 3.18Å; E90-R129 IonicContact OE1-CZ 3.54Å; E90-R129 IonicContact OE1-NE 3.12Å; E90-R129 PolarHBondContact OE1-NE 3.02Å; E90-R129 VanDerWaalsContact OE1-NE 3.12Å; E90-R129 IonicContact OE1-NH1 3.87Å |
| 91 | G | 84.3 | Confident | 87.6 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 62% | 0.619 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 131 | 174.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111 | P93 | G91-P93 WeakPolarHBondContact O-CD 3.27Š|
| 92 | S | 75.7 | Confident | 87.3 | Confident | 119 Ų | 119 | 70.7 Ų | 70.7 | 83% | 0.832 | 41% | 0.405 | S | S | * | . | trans | -85.1 | 99.1 | 164.8 | 62.4 | 0 | 0 | 0 | 0 | 107.8 | G94 | S92-G94 PolarHBondContact O-N 3.09Š| ||
| 93 | P | 68 | Low | 87.5 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 31% | 0.312 | 42% | 0.421 | S | S | . | . | trans | -54.7 | 145.7 | 160.6 | 24.2 | -31.3 | 0 | 0 | 0 | 107.5 | G91 A97 | G91-P93 WeakPolarHBondContact O-CD 3.27Å; P93-A97 HydrophobicContact CB-CB 3.62Å | ||
| 94 | G | 81 | Confident | 87.7 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | trans | -50.6 | 158.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S92 L96 A97 | S92-G94 PolarHBondContact O-N 3.09Å; G94-L96 PolarHBondContact O-N 3.15Å; G94-A97 PolarHBondContact O-N 2.95Å | ||
| 95 | I | 82.2 | Confident | 87.6 | Confident | 179 Ų | 179 | 71 Ų | 71 | 92% | 0.918 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -28 | -173.3 | -63.4 | 172.2 | 0 | 0 | 0 | 112.9 | ||
| 96 | L | 84.2 | Confident | 87.6 | Confident | 169 Ų | 169 | 71.9 Ų | 71.9 | 89% | 0.885 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -5.4 | -177.9 | -55.7 | 178.6 | 0 | 0 | 0 | 114.7 | G94 | G94-L96 PolarHBondContact O-N 3.15Š|
| 97 | A | 87.1 | Confident | 87.5 | Confident | 46 Ų | 46 | 72 Ų | 72 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -80.2 | 138 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P93 G94 R99 | P93-A97 HydrophobicContact CB-CB 3.62Å; G94-A97 PolarHBondContact O-N 2.95Å; A97-R99 PolarHBondContact O-N 2.89Å |
| 98 | P | 88.5 | Confident | 87.5 | Confident | 89 Ų | 89 | 79.8 Ų | 79.8 | 58% | 0.578 | 45% | 0.45 | S | S | * | . | trans | -65.7 | 133.6 | -178.1 | 28.1 | -34.3 | 0 | 0 | 0 | 110.3 | Y100 | P98-Y100 PolarHBondContact O-N 3.05Š| ||
| 99 | R | 90.7 | Very high | 87.4 | Confident | 140 Ų | 140 | 81.5 Ų | 81.5 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -66.1 | -21.5 | 177.9 | -175.2 | 171.6 | -175.4 | 174.4 | 5.2 | 113.5 | R88 E89 A97 | R88-R99 WeakPolarHBondContact CA-O 3.39Å; R88-R99 HydrophobicContact CG-CG 4.22Å; E89-R99 PolarHBondContact N-O 3.22Å; E89-R99 VanDerWaalsContact N-O 3.07Å; A97-R99 PolarHBondContact O-N 2.89Å |
| 100 | Y | 92.7 | Very high | 87.4 | Confident | 74 Ų | 74 | 81.8 Ų | 81.8 | 29% | 0.29 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.2 | 178 | -69.2 | -96.1 | 0 | 0 | 0 | 108.8 | F86 V87 R88 P98 K131 | F86-Y100 HydrophobicContact CB-CD1 4.18Å; V87-Y100 CarbonylContact O-C 3.46Å; V87-Y100 VanDerWaalsContact O-CA 3.31Å; V87-Y100 WeakPolarHBondContact O-CA 3.1Å; R88-Y100 HydrophobicContact CB-CD1 4.03Å; R88-Y100 HydrophobicContact CB-CE1 3.76Å; P98-Y100 PolarHBondContact O-N 3.05Å; Y100-K131 HydrophobicContact CE1-CD 4.04Å; Y100-K131 HydrophobicContact CE1-CG 4Å; Y100-K131 WeakPolarHBondContact OH-CE 3.37Å |
| 101 | S | 91 | Very high | 87.7 | Confident | 23 Ų | 23 | 85 Ų | 85 | 16% | 0.161 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 149.5 | 165.6 | -164 | 0 | 0 | 0 | 0 | 109.2 | F86 V87 E89 H104 | F86-S101 WeakPolarHBondContact CD1-O 3.44Å; V87-S101 PolarHBondContact N-O 3.34Å; V87-S101 VanDerWaalsContact N-O 3.14Å; V87-S101 PolarHBondContact O-N 2.77Å; E89-S101 WeakPolarHBondContact OE1-CB 3.26Å; S101-H104 WeakPolarHBondContact CB-NE2 3.07Å; S101-H104 PolarHBondContact OG-NE2 2.85Å |
| 102 | G | 83.5 | Confident | 88 | Confident | 31 Ų | 31 | 90 Ų | 90 | 32% | 0.32 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | -167.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117 | V85 F86 H104 | V85-G102 VanDerWaalsContact O-O 3.12Å; F86-G102 VanDerWaalsContact CD1-C 3.44Å; G102-H104 PolarHBondContact O-CD2 2.94Å; G102-H104 PolarHBondContact O-N 3.47Å; G102-H104 VanDerWaalsContact O-N 3.07Å; G102-H104 PolarHBondContact O-NE2 3.36Å |
| 103 | P | 92.4 | Very high | 88.9 | Confident | 65 Ų | 65 | 86.4 Ų | 86.4 | 42% | 0.422 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 106.4 | 178.3 | 29.4 | -31.5 | 0 | 0 | 0 | 109.7 | H84 F86 A133 | H84-P103 HydrophobicContact CB-CB 3.95Å; F86-P103 HydrophobicContact CE1-CB 4.5Å; P103-A133 HydrophobicContact CB-CB 3.98Å |
| 104 | H | 94.3 | Very high | 90.1 | Very high | 19 Ų | 19 | 84.3 Ų | 84.3 | 9% | 0.088 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.6 | 173.5 | -61.1 | -72.2 | 0 | 0 | 0 | 109.7 | H84 V85 S101 G102 I116 E117 | H84-H104 CarbonylContact C-O 3.58Å; H84-H104 VanDerWaalsContact CA-O 3.29Å; H84-H104 WeakPolarHBondContact CA-O 3.47Å; V85-H104 PolarHBondContact N-O 3.31Å; V85-H104 PolarHBondContact O-N 3.26Å; S101-H104 WeakPolarHBondContact CB-NE2 3.07Å; S101-H104 PolarHBondContact OG-NE2 2.85Å; G102-H104 PolarHBondContact O-CD2 2.94Å; G102-H104 PolarHBondContact O-N 3.47Å; G102-H104 VanDerWaalsContact O-N 3.07Å; G102-H104 PolarHBondContact O-NE2 3.36Å; H104-I116 HydrophobicContact CB-CB 4.03Å; H104-I116 HydrophobicContact CB-CD1 4.03Å; H104-I116 HydrophobicContact CB-CG2 4.46Å; H104-E117 PolarHBondContact ND1-O 3.15Å |
| 105 | A | 93.5 | Very high | 90.8 | Very high | 29 Ų | 29 | 82.7 Ų | 82.7 | 24% | 0.24 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 133.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | I116 E117 | A105-I116 CarbonylContact O-C 3.53Å; A105-I116 VanDerWaalsContact O-CA 3.26Å; A105-I116 WeakPolarHBondContact O-CA 3.3Å; A105-E117 PolarHBondContact O-N 2.68Å |
| 106 | V | 94.1 | Very high | 91.4 | Very high | 18 Ų | 18 | 74.2 Ų | 74.2 | 11% | 0.109 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115 | 178 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | S83 V85 R109 L114 I116 | S83-V106 PolarHBondContact O-N 3.32Å; S83-V106 VanDerWaalsContact O-N 3.11Å; V85-V106 HydrophobicContact CB-CG2 4.21Å; V85-V106 HydrophobicContact CG1-CG2 3.64Å; V85-V106 HydrophobicContact CG2-CG2 3.66Å; V106-R109 HydrophobicContact CG1-CG 3.72Å; V106-L114 HydrophobicContact CG1-CD2 4.01Å; V106-I116 HydrophobicContact CG2-CG2 4.36Å |
| 107 | L | 93.1 | Very high | 91.9 | Very high | 78 Ų | 78 | 70.7 Ų | 70.7 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -46.9 | -179.6 | -60 | 176.8 | 0 | 0 | 0 | 112.1 | V115 E117 E122 | L107-V115 PolarHBondContact N-O 3.22Å; L107-E117 HydrophobicContact CD1-CB 4.13Å; L107-E117 HydrophobicContact CG-CB 4.33Å; L107-E122 HydrophobicContact CD1-CG 3.66Å |
| 108 | R | 92.8 | Very high | 92.2 | Very high | 167 Ų | 167 | 70.6 Ų | 70.6 | 63% | 0.63 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.5 | -178.2 | -59.7 | 178.9 | 174.7 | 166 | -0.4 | 111.2 | V115 | R108-V115 HydrophobicContact CB-CB 3.98Å; R108-V115 HydrophobicContact CB-CG2 4.05Å; R108-V115 PolarHBondContact N-O 2.98Å; R108-V115 PolarHBondContact O-N 2.86Å |
| 109 | R | 91.4 | Very high | 92.2 | Very high | 110 Ų | 110 | 74 Ų | 74 | 42% | 0.415 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.1 | -178.8 | -54.4 | -170.9 | -178.7 | 72.5 | 7.6 | 111.1 | N80 C82 V106 L114 | N80-R109 WeakPolarHBondContact O-CD 3.26Å; N80-R109 PolarHBondContact O-NE 3.07Å; C82-R109 PolarHBondContact O-NH2 3.25Å; V106-R109 HydrophobicContact CG1-CG 3.72Å; R109-L114 HydrophobicContact CB-CD2 3.97Å; R109-L114 HydrophobicContact CG-CD2 3.63Å |
| 110 | T | 92 | Very high | 92.2 | Very high | 86 Ų | 86 | 70.3 Ų | 70.3 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | trans | -126.7 | 167.3 | 171.1 | -53.6 | 0 | 0 | 0 | 0 | 108.6 | K112 T113 | T110-K112 PolarHBondContact O-N 3.07Å; T110-K112 VanDerWaalsContact O-N 3.12Å; T110-T113 WeakPolarHBondContact CA-O 3.39Å; T110-T113 WeakPolarHBondContact CB-O 3.44Å; T110-T113 PolarHBondContact N-O 3.33Å | ||
| 111 | Q | 88.9 | Confident | 92.2 | Very high | 184 Ų | 184 | 69.3 Ų | 69.3 | 86% | 0.86 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -59.8 | -22.3 | 179.7 | -65.7 | -178.9 | -7.4 | 0 | 0 | 115.2 | I127 | Q111-I127 VanDerWaalsContact O-CD1 3.31Å; Q111-I127 WeakPolarHBondContact O-CD1 3.04Å |
| 112 | K | 92 | Very high | 92.3 | Very high | 165 Ų | 165 | 74.3 Ų | 74.3 | 72% | 0.717 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -127 | -16.3 | -177.1 | -66.9 | -175.9 | 179.6 | 177.7 | 0 | 114.1 | T110 I127 | T110-K112 PolarHBondContact O-N 3.07Å; T110-K112 VanDerWaalsContact O-N 3.12Å; K112-I127 WeakPolarHBondContact O-CG1 3.42Å; K112-I127 PolarHBondContact O-N 3.38Å |
| 113 | T | 94.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 75.1 Ų | 75.1 | 27% | 0.27 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.6 | -172.6 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | T110 T124 V125 | T110-T113 WeakPolarHBondContact CA-O 3.39Å; T110-T113 WeakPolarHBondContact CB-O 3.44Å; T110-T113 PolarHBondContact N-O 3.33Å; T113-T124 HydrophobicContact CG2-CG2 4.09Å; T113-V125 CarbonylContact C-O 3.47Å; T113-V125 WeakPolarHBondContact CA-O 3.4Å; T113-V125 WeakPolarHBondContact CB-O 3.4Å |
| 114 | L | 93.1 | Very high | 93 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.8 | 173.5 | -65.5 | 165.7 | 0 | 0 | 0 | 107.5 | L79 V85 V106 R109 I116 V125 I127 T130 | L79-L114 HydrophobicContact CD2-CD1 4.46Å; V85-L114 HydrophobicContact CG1-CD1 4.32Å; V106-L114 HydrophobicContact CG1-CD2 4.01Å; R109-L114 HydrophobicContact CB-CD2 3.97Å; R109-L114 HydrophobicContact CG-CD2 3.63Å; L114-I116 HydrophobicContact CB-CG2 4.4Å; L114-V125 HydrophobicContact CB-CG2 4.05Å; L114-V125 PolarHBondContact N-O 2.93Å; L114-V125 WeakPolarHBondContact O-CG2 3.27Å; L114-V125 PolarHBondContact O-N 3.45Å; L114-I127 HydrophobicContact CD1-CG1 4.3Å; L114-I127 HydrophobicContact CG-CG1 4.09Å; L114-T130 HydrophobicContact CD1-CG2 3.96Å; L114-T130 WeakPolarHBondContact CD1-OG1 3.31Å |
| 115 | V | 95.9 | Very high | 93 | Very high | 18 Ų | 18 | 75.9 Ų | 75.9 | 11% | 0.109 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.4 | 168.5 | -175.3 | 0 | 0 | 0 | 0 | 106.6 | L107 R108 E122 V123 | L107-V115 PolarHBondContact N-O 3.22Å; R108-V115 HydrophobicContact CB-CB 3.98Å; R108-V115 HydrophobicContact CB-CG2 4.05Å; R108-V115 PolarHBondContact N-O 2.98Å; R108-V115 PolarHBondContact O-N 2.86Å; V115-E122 HydrophobicContact CG1-CB 4.01Å; V115-V123 WeakPolarHBondContact CA-O 3.3Å |
| 116 | I | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 154.3 | -178.6 | 61.4 | 172.2 | 0 | 0 | 0 | 110 | V85 V87 H104 A105 V106 L114 Q118 E122 V123 V125 | V85-I116 HydrophobicContact CG2-CG2 3.62Å; V87-I116 HydrophobicContact CB-CD1 4.35Å; V87-I116 HydrophobicContact CG1-CD1 4.4Å; V87-I116 HydrophobicContact CG2-CD1 3.34Å; H104-I116 HydrophobicContact CB-CB 4.03Å; H104-I116 HydrophobicContact CB-CD1 4.03Å; H104-I116 HydrophobicContact CB-CG2 4.46Å; A105-I116 CarbonylContact O-C 3.53Å; A105-I116 VanDerWaalsContact O-CA 3.26Å; A105-I116 WeakPolarHBondContact O-CA 3.3Å; V106-I116 HydrophobicContact CG2-CG2 4.36Å; L114-I116 HydrophobicContact CB-CG2 4.4Å; I116-Q118 HydrophobicContact CD1-CB 4.42Å; I116-E122 WeakPolarHBondContact O-CA 3.25Å; I116-V123 HydrophobicContact CG1-CB 4.14Å; I116-V123 WeakPolarHBondContact CG1-O 3.44Å; I116-V123 PolarHBondContact N-O 2.91Å; I116-V123 PolarHBondContact O-N 3.42Å; I116-V125 HydrophobicContact CD1-CG1 3.76Å; I116-V125 HydrophobicContact CD1-CG2 4.07Å; I116-V125 HydrophobicContact CG1-CG1 4.23Å; I116-V125 HydrophobicContact CG1-CG2 4.26Å; I116-V125 HydrophobicContact CG2-CG2 4.07Å |
| 117 | E | 94.5 | Very high | 92.9 | Very high | 96 Ų | 96 | 76.9 Ų | 76.9 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.4 | 166.4 | -172.1 | 179.6 | -156 | 0 | 0 | 109.3 | H104 A105 L107 | H104-E117 PolarHBondContact ND1-O 3.15Å; A105-E117 PolarHBondContact O-N 2.68Å; L107-E117 HydrophobicContact CD1-CB 4.13Å; L107-E117 HydrophobicContact CG-CB 4.33Å |
| 118 | Q | 91.8 | Very high | 92.8 | Very high | 43 Ų | 43 | 79.8 Ų | 79.8 | 20% | 0.201 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119.6 | 176.7 | -175.9 | 172.3 | 15 | 0 | 0 | 108.9 | I116 G120 A121 V123 | I116-Q118 HydrophobicContact CD1-CB 4.42Å; Q118-G120 PolarHBondContact O-N 3.45Å; Q118-A121 PolarHBondContact N-O 3.48Å; Q118-A121 PolarHBondContact O-N 3.49Å; Q118-V123 HydrophobicContact CB-CB 4.46Å; Q118-V123 HydrophobicContact CB-CG2 3.97Å |
| 119 | N | 89.3 | Confident | 92.8 | Very high | 160 Ų | 160 | 75.1 Ų | 75.1 | 86% | 0.856 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 34.1 | -177.8 | -56.4 | -30.1 | 0 | 0 | 0 | 113.9 | A121 | N119-A121 VanDerWaalsContact C-N 3.3Å; N119-A121 PolarHBondContact O-N 3.44Å |
| 120 | G | 89.8 | Confident | 92.9 | Very high | 64 Ų | 64 | 70.4 Ų | 70.4 | 66% | 0.66 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 4.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q118 | Q118-G120 PolarHBondContact O-N 3.45Š|
| 121 | A | 93 | Very high | 92.9 | Very high | 52 Ų | 52 | 71.4 Ų | 71.4 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 147.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q118 N119 V123 | Q118-A121 PolarHBondContact N-O 3.48Å; Q118-A121 PolarHBondContact O-N 3.49Å; N119-A121 VanDerWaalsContact C-N 3.3Å; N119-A121 PolarHBondContact O-N 3.44Å; A121-V123 PolarHBondContact O-N 3.24Å |
| 122 | E | 94.7 | Very high | 93.1 | Very high | 129 Ų | 129 | 63.8 Ų | 63.8 | 60% | 0.603 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 118.1 | 172.8 | -59.1 | -165.9 | 170.2 | 0 | 0 | 110.3 | L107 V115 I116 | L107-E122 HydrophobicContact CD1-CG 3.66Å; V115-E122 HydrophobicContact CG1-CB 4.01Å; I116-E122 WeakPolarHBondContact O-CA 3.25Å |
| 123 | V | 93.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.3 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | V115 I116 Q118 A121 V125 | V115-V123 WeakPolarHBondContact CA-O 3.3Å; I116-V123 HydrophobicContact CG1-CB 4.14Å; I116-V123 WeakPolarHBondContact CG1-O 3.44Å; I116-V123 PolarHBondContact N-O 2.91Å; I116-V123 PolarHBondContact O-N 3.42Å; Q118-V123 HydrophobicContact CB-CB 4.46Å; Q118-V123 HydrophobicContact CB-CG2 3.97Å; A121-V123 PolarHBondContact O-N 3.24Å; V123-V125 HydrophobicContact CG1-CG1 4.02Å |
| 124 | T | 95.1 | Very high | 92.7 | Very high | 94 Ų | 94 | 60.4 Ų | 60.4 | 58% | 0.577 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.7 | 174.2 | -58.9 | 0 | 0 | 0 | 0 | 110 | T113 | T113-T124 HydrophobicContact CG2-CG2 4.09Å |
| 125 | V | 94.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.036 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.6 | 179.7 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | V87 T113 L114 I116 V123 T130 | V87-V125 HydrophobicContact CG1-CG1 3.95Å; T113-V125 CarbonylContact C-O 3.47Å; T113-V125 WeakPolarHBondContact CA-O 3.4Å; T113-V125 WeakPolarHBondContact CB-O 3.4Å; L114-V125 HydrophobicContact CB-CG2 4.05Å; L114-V125 PolarHBondContact N-O 2.93Å; L114-V125 WeakPolarHBondContact O-CG2 3.27Å; L114-V125 PolarHBondContact O-N 3.45Å; I116-V125 HydrophobicContact CD1-CG1 3.76Å; I116-V125 HydrophobicContact CD1-CG2 4.07Å; I116-V125 HydrophobicContact CG1-CG1 4.23Å; I116-V125 HydrophobicContact CG1-CG2 4.26Å; I116-V125 HydrophobicContact CG2-CG2 4.07Å; V123-V125 HydrophobicContact CG1-CG1 4.02Å; V125-T130 HydrophobicContact CB-CG2 4.41Å; V125-T130 HydrophobicContact CG2-CG2 3.61Å |
| 126 | A | 93.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 36% | 0.355 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 143.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | D128 R129 | A126-D128 PolarHBondContact O-N 3.16Å; A126-R129 PolarHBondContact O-N 3.39Å |
| 127 | I | 92.7 | Very high | 89.7 | Confident | 25 Ų | 25 | 72.8 Ų | 72.8 | 13% | 0.128 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -57 | -36.1 | -178.8 | -68.7 | 170.9 | 0 | 0 | 0 | 112.1 | V75 L79 Q111 K112 L114 R129 T130 | V75-I127 HydrophobicContact CG1-CG2 3.85Å; V75-I127 HydrophobicContact CG2-CG2 4.5Å; L79-I127 HydrophobicContact CD1-CG2 3.93Å; Q111-I127 VanDerWaalsContact O-CD1 3.31Å; Q111-I127 WeakPolarHBondContact O-CD1 3.04Å; K112-I127 WeakPolarHBondContact O-CG1 3.42Å; K112-I127 PolarHBondContact O-N 3.38Å; L114-I127 HydrophobicContact CD1-CG1 4.3Å; L114-I127 HydrophobicContact CG-CG1 4.09Å; I127-R129 PolarHBondContact O-N 3.47Å; I127-R129 VanDerWaalsContact O-N 3.11Å; I127-T130 PolarHBondContact O-N 3.24Å; I127-T130 PolarHBondContact O-OG1 3.03Å |
| 128 | D | 91.1 | Very high | 87.9 | Confident | 138 Ų | 138 | 70 Ų | 70 | 74% | 0.738 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -58.5 | -25.2 | 178.9 | -174.4 | 73.6 | 0 | 0 | 0 | 113.6 | A126 | A126-D128 PolarHBondContact O-N 3.16Š|
| 129 | R | 92.5 | Very high | 86.2 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 26% | 0.26 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -93.4 | 1.2 | 179.3 | -67.9 | 177.8 | 54.2 | -165 | -8.8 | 113.3 | R88 E90 A126 I127 | R88-R129 HydrophobicContact CB-CB 4.25Å; R88-R129 WeakPolarHBondContact CB-O 3.35Å; R88-R129 PolarHBondContact N-O 3.38Å; R88-R129 PolarHBondContact O-NE 3.15Å; R88-R129 PolarHBondContact O-NH2 2.96Å; E90-R129 VanDerWaalsContact CG-NH1 3.34Å; E90-R129 VanDerWaalsContact CG-NH2 3.28Å; E90-R129 VanDerWaalsContact OE1-CD 3.24Å; E90-R129 WeakPolarHBondContact OE1-CD 3.18Å; E90-R129 IonicContact OE1-CZ 3.54Å; E90-R129 IonicContact OE1-NE 3.12Å; E90-R129 PolarHBondContact OE1-NE 3.02Å; E90-R129 VanDerWaalsContact OE1-NE 3.12Å; E90-R129 IonicContact OE1-NH1 3.87Å; A126-R129 PolarHBondContact O-N 3.39Å; I127-R129 PolarHBondContact O-N 3.47Å; I127-R129 VanDerWaalsContact O-N 3.11Å |
| 130 | T | 93.2 | Very high | 84.5 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 149.6 | -174.7 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | V85 F86 V87 L114 V125 I127 | V85-T130 HydrophobicContact CG2-CG2 4.49Å; F86-T130 CarbonylContact O-C 3.59Å; F86-T130 VanDerWaalsContact O-CA 3.25Å; F86-T130 WeakPolarHBondContact O-CA 3.43Å; V87-T130 HydrophobicContact CG2-CG2 4.39Å; L114-T130 HydrophobicContact CD1-CG2 3.96Å; L114-T130 WeakPolarHBondContact CD1-OG1 3.31Å; V125-T130 HydrophobicContact CB-CG2 4.41Å; V125-T130 HydrophobicContact CG2-CG2 3.61Å; I127-T130 PolarHBondContact O-N 3.24Å; I127-T130 PolarHBondContact O-OG1 3.03Å |
| 131 | K | 93.1 | Very high | 82.6 | Confident | 108 Ų | 108 | 72.3 Ų | 72.3 | 47% | 0.47 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144 | 166.3 | -70.2 | -171.9 | 175 | -174.7 | 0 | 109.5 | V85 F86 Y100 A133 | V85-K131 CarbonylContact C-O 3.52Å; V85-K131 VanDerWaalsContact CA-O 3.22Å; V85-K131 WeakPolarHBondContact CA-O 3.4Å; V85-K131 WeakPolarHBondContact CB-O 3.39Å; F86-K131 HydrophobicContact CB-CB 4.31Å; F86-K131 PolarHBondContact N-O 2.96Å; F86-K131 PolarHBondContact O-N 3.02Å; Y100-K131 HydrophobicContact CE1-CD 4.04Å; Y100-K131 HydrophobicContact CE1-CG 4Å; Y100-K131 WeakPolarHBondContact OH-CE 3.37Å; K131-A133 PolarHBondContact O-N 3.25Å |
| 132 | P | 93 | Very high | 80.3 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 16% | 0.156 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 135.1 | 173.1 | 28.1 | -33.2 | 0 | 0 | 0 | 109.9 | R78 L79 C82 F134 | R78-P132 HydrophobicContact CB-CB 4.42Å; R78-P132 HydrophobicContact CB-CG 4.49Å; L79-P132 HydrophobicContact CD2-CB 4.2Å; C82-P132 HydrophobicContact CB-CB 4.13Å; P132-F134 HydrophobicContact CB-CZ 4.4Å; P132-F134 HydrophobicContact CG-CZ 4.16Å |
| 133 | A | 90.9 | Very high | 77.7 | Confident | 3 Ų | 3 | 75.7 Ų | 75.7 | 3% | 0.025 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | H84 F86 P103 K131 | H84-A133 HydrophobicContact CB-CB 3.91Å; H84-A133 WeakPolarHBondContact O-CB 3.38Å; H84-A133 PolarHBondContact O-N 3.4Å; F86-A133 HydrophobicContact CD2-CB 3.66Å; F86-A133 HydrophobicContact CE2-CB 3.38Å; F86-A133 HydrophobicContact CG-CB 4.49Å; F86-A133 HydrophobicContact CZ-CB 4.01Å; P103-A133 HydrophobicContact CB-CB 3.98Å; K131-A133 PolarHBondContact O-N 3.25Å |
| 134 | F | 86.9 | Confident | 75.2 | Confident | 135 Ų | 135 | 77.5 Ų | 77.5 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | trans | -106 | 109.1 | 175.4 | -59.2 | -64.5 | 0 | 0 | 0 | 108 | P132 | P132-F134 HydrophobicContact CB-CZ 4.4Å; P132-F134 HydrophobicContact CG-CZ 4.16Å | ||
| 135 | L | 80.9 | Confident | 72.8 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | trans | -96.7 | 145.8 | 172.5 | -59.1 | -176.8 | 0 | 0 | 0 | 109 | H84 S137 D138 | H84-L135 HydrophobicContact CB-CD1 4.31Å; H84-L135 VanDerWaalsContact CE1-CD1 3.49Å; H84-L135 WeakPolarHBondContact CE1-CD1 3.49Å; H84-L135 VanDerWaalsContact ND1-CD1 3.29Å; H84-L135 WeakPolarHBondContact ND1-CD1 3.48Å; L135-S137 PolarHBondContact O-N 3.4Å; L135-S137 VanDerWaalsContact O-N 3.08Å; L135-D138 PolarHBondContact N-OD2 2.83Å; L135-D138 VanDerWaalsContact N-OD2 3.12Å; L135-D138 PolarHBondContact O-N 2.85Å; L135-D138 VanDerWaalsContact O-N 3.13Å | ||
| 136 | A | 75.1 | Confident | 70.2 | Confident | 118 Ų | 118 | 83.2 Ų | 83.2 | 98% | 0.975 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 137 | S | 64.4 | Low | 67.6 | Low | 103 Ų | 103 | 87.6 Ų | 87.6 | 72% | 0.72 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -1.3 | 179.3 | 95.4 | 0 | 0 | 0 | 0 | 114.2 | L135 P139 | L135-S137 PolarHBondContact O-N 3.4Å; L135-S137 VanDerWaalsContact O-N 3.08Å; S137-P139 VanDerWaalsContact O-CD 3.23Å; S137-P139 WeakPolarHBondContact O-CD 3.42Å |
| 138 | D | 56.4 | Low | 65.1 | Low | 37 Ų | 37 | 90.9 Ų | 90.9 | 20% | 0.198 | 58% | 0.578 | C | S | . | * | trans | -74.8 | 114.8 | 178.4 | -67.5 | -44.4 | 0 | 0 | 0 | 109.3 | S83 L135 S140 A141 | S83-D138 PolarHBondContact OG-OD1 3.21Å; L135-D138 PolarHBondContact N-OD2 2.83Å; L135-D138 VanDerWaalsContact N-OD2 3.12Å; L135-D138 PolarHBondContact O-N 2.85Å; L135-D138 VanDerWaalsContact O-N 3.13Å; D138-S140 PolarHBondContact O-N 3.07Å; D138-A141 PolarHBondContact O-N 3.38Å | ||
| 139 | P | 56.9 | Low | 62.9 | Low | 120 Ų | 120 | 90 Ų | 90 | 78% | 0.779 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -66 | -10.8 | -177.5 | 26.6 | -34.6 | 0 | 0 | 0 | 113.5 | S137 A141 | S137-P139 VanDerWaalsContact O-CD 3.23Å; S137-P139 WeakPolarHBondContact O-CD 3.42Å; P139-A141 PolarHBondContact O-N 2.89Å |
| 140 | S | 52.8 | Low | 60.3 | Low | 107 Ų | 107 | 96.1 Ų | 96.1 | 75% | 0.748 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -75.8 | -5.8 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 114 | D138 T142 | D138-S140 PolarHBondContact O-N 3.07Å; S140-T142 PolarHBondContact O-N 2.94Å |
| 141 | A | 50.2 | Low | 57.8 | Low | 88 Ų | 88 | 107.2 Ų | 107.2 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -70.9 | -15 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D138 P139 | D138-A141 PolarHBondContact O-N 3.38Å; P139-A141 PolarHBondContact O-N 2.89Å |
| 142 | T | 45.1 | Very low | 55.6 | Low | 118 Ų | 118 | 109.2 Ų | 109.2 | 72% | 0.724 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -93.8 | 105.9 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 109.8 | S140 | S140-T142 PolarHBondContact O-N 2.94Š|
| 143 | T | 38.8 | Very low | 52.9 | Low | 134 Ų | 134 | 110.8 Ų | 110.8 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 115.9 | 77 | 167 | -43.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 144 | A | 41.7 | Very low | 50.5 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | -166.2 | 130.6 | 128.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 145 | P | 44.7 | Very low | 48.7 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | -66.7 | 149.8 | -169.7 | 28.4 | -33.7 | 0 | 0 | 0 | 110.6 | T147 | P145-T147 VanDerWaalsContact C-N 3.34Å; P145-T147 PolarHBondContact O-N 3.06Å | ||
| 146 | A | 39.6 | Very low | 46.6 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -45.1 | 100 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S148 | A146-S148 PolarHBondContact O-N 3.28Š| ||
| 147 | T | 39.1 | Very low | 45.2 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | trans | -67.4 | 108.5 | 163 | 5.3 | 0 | 0 | 0 | 0 | 104 | P145 | P145-T147 VanDerWaalsContact C-N 3.34Å; P145-T147 PolarHBondContact O-N 3.06Å | ||
| 148 | S | 39.9 | Very low | 43.9 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | trans | -42.6 | 135 | 179.3 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | A146 K150 | A146-S148 PolarHBondContact O-N 3.28Å; S148-K150 PolarHBondContact O-N 3.05Å | ||
| 149 | P | 45.5 | Very low | 43.4 | Very low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -54.8 | 118.3 | 171.6 | 22.4 | -30.4 | 0 | 0 | 0 | 106.5 | R151 | P149-R151 VanDerWaalsContact C-N 3.32Å; P149-R151 PolarHBondContact O-N 3.36Å | ||
| 150 | K | 39 | Very low | 43 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | -51.4 | 107.7 | 167.2 | -75 | -176.5 | 177.8 | -177.8 | 0 | 105 | S148 I152 | S148-K150 PolarHBondContact O-N 3.05Å; K150-I152 PolarHBondContact O-N 3.07Å | ||
| 151 | R | 39.6 | Very low | 42.7 | Very low | 244 Ų | 244 | 128.6 Ų | 128.6 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | trans | -51.4 | 96.8 | 169.8 | -93.1 | 179.2 | 167 | -178.4 | -3.7 | 105.6 | P149 G153 | P149-R151 VanDerWaalsContact C-N 3.32Å; P149-R151 PolarHBondContact O-N 3.36Å; R151-G153 PolarHBondContact O-N 3.49Å | ||
| 152 | I | 46.1 | Very low | 42.3 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -62.9 | 104.4 | 160.6 | -72.3 | 167.9 | 0 | 0 | 0 | 102.5 | K150 S154 | K150-I152 PolarHBondContact O-N 3.07Å; I152-S154 PolarHBondContact O-N 3.45Å | ||
| 153 | G | 37.1 | Very low | 42.1 | Very low | 57 Ų | 57 | 131 Ų | 131 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | trans | -49.1 | 132.7 | -171 | 0 | 0 | 0 | 0 | 0 | 109.6 | R151 I155 | R151-G153 PolarHBondContact O-N 3.49Å; G153-I155 PolarHBondContact O-N 3.42Å | ||
| 154 | S | 40 | Very low | 42.7 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 10.4 | 80.9 | 152.7 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | I152 Y156 | I152-S154 PolarHBondContact O-N 3.45Å; S154-Y156 PolarHBondContact O-N 3.08Å | ||
| 155 | I | 49.1 | Very low | 43.1 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | trans | -60.1 | 108.4 | 159.7 | -64.4 | 173 | 0 | 0 | 0 | 102.3 | G153 V157 | G153-I155 PolarHBondContact O-N 3.42Å; I155-V157 PolarHBondContact O-N 3.25Å | ||
| 156 | Y | 37.9 | Very low | 43.5 | Very low | 194 Ų | 194 | 131.5 Ų | 131.5 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | trans | -49.4 | 99.9 | 164.4 | -101.6 | -102.3 | 0 | 0 | 0 | 105.2 | S154 C158 | S154-Y156 PolarHBondContact O-N 3.08Å; Y156-C158 PolarHBondContact O-N 3.4Å | ||
| 157 | V | 45 | Very low | 43.8 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -64.8 | 80.2 | 151.6 | -107.2 | 0 | 0 | 0 | 0 | 103.3 | I155 T159 | I155-V157 PolarHBondContact O-N 3.25Å; V157-T159 PolarHBondContact O-N 3.47Å | ||
| 158 | C | 38.3 | Very low | 44.6 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | trans | -57.5 | 95 | 154.4 | -74.8 | 0 | 0 | 0 | 0 | 103.8 | Y156 F160 | Y156-C158 PolarHBondContact O-N 3.4Å; C158-F160 PolarHBondContact O-N 3.04Å | ||
| 159 | T | 45.5 | Very low | 45.1 | Very low | 114 Ų | 114 | 134 Ų | 134 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | trans | -46.6 | 119.8 | 168.4 | 37 | 0 | 0 | 0 | 0 | 106.7 | V157 A161 G162 | V157-T159 PolarHBondContact O-N 3.47Å; T159-A161 PolarHBondContact O-N 3.11Å; T159-G162 PolarHBondContact O-N 3.32Å | ||
| 160 | F | 48 | Very low | 45.6 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.7 | -15.6 | -178.1 | -103.3 | -107.6 | 0 | 0 | 0 | 115.4 | C158 G162 | C158-F160 PolarHBondContact O-N 3.04Å; F160-G162 VanDerWaalsContact C-N 3.28Å; F160-G162 PolarHBondContact O-N 3.17Å |
| 161 | A | 47.7 | Very low | 46.2 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -28.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T159 | T159-A161 PolarHBondContact O-N 3.11Š|
| 162 | G | 40.5 | Very low | 46.9 | Very low | 56 Ų | 56 | 122.7 Ų | 122.7 | 58% | 0.577 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -23.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | T159 F160 | T159-G162 PolarHBondContact O-N 3.32Å; F160-G162 VanDerWaalsContact C-N 3.28Å; F160-G162 PolarHBondContact O-N 3.17Å |
| 163 | W | 40.2 | Very low | 47.1 | Very low | 200 Ų | 200 | 117.7 Ų | 117.7 | 76% | 0.758 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -92.3 | -17.8 | -173.2 | -141.7 | 50.3 | 0 | 0 | 0 | 113.4 | ||
| 164 | C | 51.6 | Low | 48.1 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.2 | -34.3 | 176.2 | -151.2 | 0 | 0 | 0 | 0 | 112 | S168 | C164-S168 PolarHBondContact O-N 3.01Å |
| 165 | D | 50.5 | Low | 48.9 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.3 | -29.6 | -173.2 | -152.3 | 22.7 | 0 | 0 | 0 | 113 | ||
| 166 | Q | 52.8 | Low | 49.3 | Very low | 147 Ų | 147 | 115.3 Ų | 115.3 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.7 | -35.3 | 176.8 | -159.6 | 77 | 13 | 0 | 0 | 112.2 | ||
| 167 | F | 46.8 | Very low | 50.1 | Low | 138 Ų | 138 | 111.3 Ų | 111.3 | 61% | 0.605 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.3 | -29.7 | 179.4 | -113.7 | -86.5 | 0 | 0 | 0 | 112.7 | R169 Q170 A171 | F167-R169 PolarHBondContact O-N 2.82Å; F167-Q170 PolarHBondContact O-N 3.29Å; F167-A171 PolarHBondContact O-N 3.22Å; F167-A171 VanDerWaalsContact O-N 3.15Å |
| 168 | S | 54.6 | Low | 50.6 | Low | 61 Ų | 61 | 113.4 Ų | 113.4 | 43% | 0.427 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.5 | -36.8 | 177.5 | -161.8 | 0 | 0 | 0 | 0 | 112.2 | C164 Q172 | C164-S168 PolarHBondContact O-N 3.01Å; S168-Q172 PolarHBondContact O-N 3.24Å |
| 169 | R | 52.2 | Low | 51.5 | Low | 185 Ų | 185 | 113.9 Ų | 113.9 | 70% | 0.698 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.4 | -35.4 | 178.2 | -67.8 | -169.4 | -172.2 | -115.2 | 1.7 | 113 | F167 A173 | F167-R169 PolarHBondContact O-N 2.82Å; R169-A173 PolarHBondContact O-N 2.94Å |
| 170 | Q | 54.2 | Low | 51.8 | Low | 132 Ų | 132 | 117.2 Ų | 117.2 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.8 | -37.2 | 179.2 | -160.8 | 66.1 | 23.9 | 0 | 0 | 111.9 | F167 Q172 A173 V174 | F167-Q170 PolarHBondContact O-N 3.29Å; Q170-Q172 PolarHBondContact O-N 3.47Å; Q170-A173 PolarHBondContact O-N 2.87Å; Q170-V174 WeakPolarHBondContact O-CG2 3.45Å; Q170-V174 PolarHBondContact O-N 2.88Å |
| 171 | A | 52.9 | Low | 52.2 | Low | 60 Ų | 60 | 115.7 Ų | 115.7 | 50% | 0.496 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.3 | -35 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F167 | F167-A171 PolarHBondContact O-N 3.22Å; F167-A171 VanDerWaalsContact O-N 3.15Å |
| 172 | Q | 53.1 | Low | 52.1 | Low | 131 Ų | 131 | 113.6 Ų | 113.6 | 61% | 0.612 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.5 | -32.5 | 176.4 | -70 | 178.7 | -84.9 | 0 | 0 | 112.5 | S168 Q170 S175 V176 | S168-Q172 PolarHBondContact O-N 3.24Å; Q170-Q172 PolarHBondContact O-N 3.47Å; Q172-S175 PolarHBondContact O-N 3.07Å; Q172-V176 WeakPolarHBondContact O-CG2 3.38Å; Q172-V176 PolarHBondContact O-N 3.3Å |
| 173 | A | 52.1 | Low | 52.5 | Low | 44 Ų | 44 | 118 Ų | 118 | 36% | 0.364 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.5 | -45.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R169 Q170 S175 V176 D177 | R169-A173 PolarHBondContact O-N 2.94Å; Q170-A173 PolarHBondContact O-N 2.87Å; A173-S175 VanDerWaalsContact C-N 3.33Å; A173-S175 PolarHBondContact O-N 3.49Å; A173-V176 PolarHBondContact O-N 2.97Å; A173-D177 PolarHBondContact O-N 2.72Å; A173-D177 VanDerWaalsContact O-N 3.11Å |
| 174 | V | 56.5 | Low | 53 | Low | 94 Ų | 94 | 111.3 Ų | 111.3 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.5 | -32.1 | -179.6 | -120.7 | 0 | 0 | 0 | 0 | 112.8 | Q170 Y178 | Q170-V174 WeakPolarHBondContact O-CG2 3.45Å; Q170-V174 PolarHBondContact O-N 2.88Å; V174-Y178 WeakPolarHBondContact O-CB 3.36Å; V174-Y178 PolarHBondContact O-N 2.72Å; V174-Y178 VanDerWaalsContact O-N 3.07Å |
| 175 | S | 57.3 | Low | 52.6 | Low | 68 Ų | 68 | 112.6 Ų | 112.6 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73 | -36.4 | 179.5 | -166.8 | 0 | 0 | 0 | 0 | 112.4 | Q172 A173 L179 | Q172-S175 PolarHBondContact O-N 3.07Å; A173-S175 VanDerWaalsContact C-N 3.33Å; A173-S175 PolarHBondContact O-N 3.49Å; S175-L179 WeakPolarHBondContact O-CB 3.49Å; S175-L179 PolarHBondContact O-N 2.98Å; S175-L179 VanDerWaalsContact O-N 3.08Å |
| 176 | V | 57.1 | Low | 52.2 | Low | 88 Ų | 88 | 114.2 Ų | 114.2 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75 | -37.1 | 178.4 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | Q172 A173 R180 | Q172-V176 WeakPolarHBondContact O-CG2 3.38Å; Q172-V176 PolarHBondContact O-N 3.3Å; A173-V176 PolarHBondContact O-N 2.97Å; V176-R180 VanDerWaalsContact O-CB 3.29Å; V176-R180 WeakPolarHBondContact O-CB 3.36Å; V176-R180 PolarHBondContact O-N 2.93Å |
| 177 | D | 56.1 | Low | 51.8 | Low | 110 Ų | 110 | 112 Ų | 112 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.7 | -38.7 | 174.4 | -78.8 | -25.1 | 0 | 0 | 0 | 112.2 | A173 R181 | A173-D177 PolarHBondContact O-N 2.72Å; A173-D177 VanDerWaalsContact O-N 3.11Å; D177-R181 WeakPolarHBondContact O-CB 3.29Å; D177-R181 PolarHBondContact O-N 3.01Å |
| 178 | Y | 55.5 | Low | 51.7 | Low | 173 Ų | 173 | 114.3 Ų | 114.3 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.2 | -43.7 | 175.9 | -168.7 | -93.8 | 0 | 0 | 0 | 112.1 | V174 R181 C182 | V174-Y178 WeakPolarHBondContact O-CB 3.36Å; V174-Y178 PolarHBondContact O-N 2.72Å; V174-Y178 VanDerWaalsContact O-N 3.07Å; Y178-R181 PolarHBondContact O-N 3.28Å; Y178-C182 PolarHBondContact O-N 2.92Å; Y178-C182 PolarHBondContact O-SG 3.48Å |
| 179 | L | 55.9 | Low | 51.1 | Low | 106 Ų | 106 | 120 Ų | 120 | 56% | 0.555 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.1 | -40.4 | 176.8 | -83.5 | 162.4 | 0 | 0 | 0 | 112.4 | S175 R181 C182 E183 | S175-L179 WeakPolarHBondContact O-CB 3.49Å; S175-L179 PolarHBondContact O-N 2.98Å; S175-L179 VanDerWaalsContact O-N 3.08Å; L179-R181 VanDerWaalsContact C-N 3.32Å; L179-R181 PolarHBondContact O-N 3.34Å; L179-C182 PolarHBondContact O-N 2.75Å; L179-E183 PolarHBondContact O-N 2.88Å |
| 180 | R | 52.9 | Low | 50.3 | Low | 183 Ų | 183 | 114.3 Ų | 114.3 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.4 | -31.2 | 176.7 | -165.4 | -177.5 | -94.6 | -168.1 | -5.8 | 111.9 | V176 S184 | V176-R180 VanDerWaalsContact O-CB 3.29Å; V176-R180 WeakPolarHBondContact O-CB 3.36Å; V176-R180 PolarHBondContact O-N 2.93Å; R180-S184 PolarHBondContact O-N 3.31Å |
| 181 | R | 56.6 | Low | 49.3 | Very low | 165 Ų | 165 | 114.1 Ų | 114.1 | 62% | 0.623 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.2 | -42.9 | 171.6 | -166.8 | 72.2 | -175.2 | -173.7 | 3.8 | 111.3 | D177 Y178 L179 S184 E185 | D177-R181 WeakPolarHBondContact O-CB 3.29Å; D177-R181 PolarHBondContact O-N 3.01Å; Y178-R181 PolarHBondContact O-N 3.28Å; L179-R181 VanDerWaalsContact C-N 3.32Å; L179-R181 PolarHBondContact O-N 3.34Å; R181-S184 PolarHBondContact O-N 3.07Å; R181-S184 PolarHBondContact O-OG 3.09Å; R181-E185 PolarHBondContact O-N 3.43Å |
| 182 | C | 45.6 | Very low | 48.8 | Very low | 43 Ų | 43 | 117.2 Ų | 117.2 | 29% | 0.291 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.5 | -38.9 | 177.4 | -74.4 | 0 | 0 | 0 | 0 | 113.5 | Y178 L179 S184 E185 I186 | Y178-C182 PolarHBondContact O-N 2.92Å; Y178-C182 PolarHBondContact O-SG 3.48Å; L179-C182 PolarHBondContact O-N 2.75Å; C182-S184 VanDerWaalsContact C-N 3.3Å; C182-S184 PolarHBondContact O-N 3.28Å; C182-E185 PolarHBondContact O-N 3.29Å; C182-I186 WeakPolarHBondContact O-CG1 3.32Å; C182-I186 PolarHBondContact O-N 3.22Å; C182-I186 VanDerWaalsContact O-N 3.07Å |
| 183 | E | 47.6 | Very low | 48.2 | Very low | 147 Ų | 147 | 119.1 Ų | 119.1 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.8 | -31.5 | 175.2 | -79.7 | -176.2 | 146.4 | 0 | 0 | 112.7 | L179 S187 | L179-E183 PolarHBondContact O-N 2.88Å; E183-S187 PolarHBondContact O-N 3.31Å |
| 184 | S | 52.3 | Low | 47.7 | Very low | 61 Ų | 61 | 121.5 Ų | 121.5 | 43% | 0.427 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.6 | -28.6 | 176 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | R180 R181 C182 | R180-S184 PolarHBondContact O-N 3.31Å; R181-S184 PolarHBondContact O-N 3.07Å; R181-S184 PolarHBondContact O-OG 3.09Å; C182-S184 VanDerWaalsContact C-N 3.3Å; C182-S184 PolarHBondContact O-N 3.28Å |
| 185 | E | 43.1 | Very low | 46.8 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 58% | 0.584 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -82.4 | -27.5 | 175.3 | -80.2 | 178.6 | 176.8 | 0 | 0 | 112.5 | R181 C182 S187 | R181-E185 PolarHBondContact O-N 3.43Å; C182-E185 PolarHBondContact O-N 3.29Å; E185-S187 VanDerWaalsContact C-N 3.32Å |
| 186 | I | 41.5 | Very low | 46.1 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.6 | -24.4 | 174.6 | -69.2 | 166.3 | 0 | 0 | 0 | 111.9 | C182 F188 | C182-I186 WeakPolarHBondContact O-CG1 3.32Å; C182-I186 PolarHBondContact O-N 3.22Å; C182-I186 VanDerWaalsContact O-N 3.07Å; I186-F188 VanDerWaalsContact C-N 3.34Å; I186-F188 PolarHBondContact O-N 3.44Å |
| 187 | S | 44.9 | Very low | 45.4 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -9.1 | -179.9 | -157.9 | 0 | 0 | 0 | 0 | 114.7 | E183 E185 | E183-S187 PolarHBondContact O-N 3.31Å; E185-S187 VanDerWaalsContact C-N 3.32Å |
| 188 | F | 43 | Very low | 44.9 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 82% | 0.82 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -1.3 | -176.8 | -106.6 | -85.4 | 0 | 0 | 0 | 116.1 | I186 | I186-F188 VanDerWaalsContact C-N 3.34Å; I186-F188 PolarHBondContact O-N 3.44Å |
| 189 | Q | 42.2 | Very low | 44.3 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -113 | 53.4 | 174.2 | -132.7 | 94.5 | -11.8 | 0 | 0 | 110.5 | ||||
| 190 | G | 36.1 | Very low | 43.7 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 74% | 0.737 | S | S | * | * | trans | -87.3 | 125.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 191 | C | 33.8 | Very low | 43.2 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | 84.7 | 110.3 | 159.4 | -70.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 192 | P | 42.1 | Very low | 42.3 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 149.1 | 176.3 | 33.6 | -32.9 | 0 | 0 | 0 | 112.3 | A194 | P192-A194 PolarHBondContact O-N 3.24Š|
| 193 | D | 39.3 | Very low | 42.1 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.8 | 174.6 | -68.3 | -64 | 0 | 0 | 0 | 111.3 | ||
| 194 | A | 41.6 | Very low | 41.7 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P192 | P192-A194 PolarHBondContact O-N 3.24Š|
| 195 | Q | 38.5 | Very low | 40.9 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 143.6 | 154.7 | -75.7 | -179.9 | -112.7 | 0 | 0 | 110.3 | ||
| 196 | E | 42.1 | Very low | 40.7 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -144.1 | 140.6 | 138.6 | -157.1 | 94.5 | 147.9 | 0 | 0 | 106.8 | ||||
| 197 | D | 43.2 | Very low | 40.6 | Very low | 223 Ų | 223 | 148 Ų | 148 | 100% | 1.193 | 84% | 0.841 | S | S | * | * | trans | -53.3 | 0 | -163.2 | -65.1 | -58.9 | 0 | 0 | 0 | 118.6 |
Retrieved 197 of 197 residues in 41 ms
(Link to these results)