| 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 | 61.1 | Low | 88 | Confident | 239 Ų | 239 | 152.5 Ų | 152.5 | 100% | 1.177 | 76% | 0.763 | S | S | * | * | 0 | 127 | 0 | -65.9 | -177.5 | -165.8 | 0 | 0 | 107 | |||||
| 2 | Y | 78.1 | Confident | 88.7 | Confident | 242 Ų | 242 | 148 Ų | 148 | 95% | 0.949 | 74% | 0.743 | S | S | * | * | trans | -101.6 | 131.2 | 176.7 | -64.9 | -80.9 | 0 | 0 | 0 | 108.5 | ||||
| 3 | R | 82.2 | Confident | 89.4 | Confident | 231 Ų | 231 | 145.7 Ų | 145.7 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | -106 | 127.3 | 171.9 | -178.9 | 177.1 | 175 | -176 | -3.9 | 107.2 | ||||
| 4 | A | 86.8 | Confident | 89.9 | Confident | 91 Ų | 91 | 141.6 Ų | 141.6 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | trans | -109.5 | 145.9 | 169 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 5 | E | 91.9 | Very high | 90.3 | Very high | 173 Ų | 173 | 136.4 Ų | 136.4 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | trans | -115.8 | 137.8 | 171.9 | -176.5 | 164.3 | -158.9 | 0 | 0 | 107.7 | ||||
| 6 | V | 93 | Very high | 90.7 | Very high | 119 Ų | 119 | 132.3 Ų | 132.3 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -128 | 119 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | I8 | V6-I8 HydrophobicContact CG1-CD1 4.16Š| ||
| 7 | E | 94.6 | Very high | 91 | Very high | 166 Ų | 166 | 135.6 Ų | 135.6 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | -94 | 132.3 | 172.5 | -174.6 | 176.7 | -169.6 | 0 | 0 | 108.8 | V9 | E7-V9 HydrophobicContact CG-CG2 4.2Š| ||
| 8 | I | 93 | Very high | 91.3 | Very high | 155 Ų | 155 | 134.2 Ų | 134.2 | 80% | 0.795 | 68% | 0.675 | S | S | * | * | trans | -98.7 | 119.5 | 171.6 | -54.7 | -59 | 0 | 0 | 0 | 107.2 | V6 | V6-I8 HydrophobicContact CG1-CD1 4.16Š| ||
| 9 | V | 95.7 | Very high | 91.4 | Very high | 104 Ų | 104 | 131.1 Ų | 131.1 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | trans | -104.3 | 135.4 | 179.7 | -176.3 | 0 | 0 | 0 | 0 | 109 | E7 | E7-V9 HydrophobicContact CG-CG2 4.2Š| ||
| 10 | D | 94.9 | Very high | 91.5 | Very high | 58 Ų | 58 | 132 Ų | 132 | 31% | 0.31 | 66% | 0.66 | S | S | . | * | trans | -65.2 | 142.4 | 176.8 | -171.9 | 60.8 | 0 | 0 | 0 | 112.2 | V47 N50 | D10-V47 HydrophobicContact CB-CG2 3.73Å; D10-V47 PolarHBondContact OD2-N 2.99Å; D10-N50 WeakPolarHBondContact OD2-CB 3.04Å; D10-N50 PolarHBondContact OD2-ND2 2.9Å | ||
| 11 | V | 97.1 | Very high | 91.5 | Very high | 100 Ų | 100 | 135.7 Ų | 135.7 | 61% | 0.606 | 68% | 0.675 | S | S | * | * | trans | -125.1 | 143.5 | 174 | 177.3 | 0 | 0 | 0 | 0 | 107.3 | D13 | V11-D13 VanDerWaalsContact C-N 3.31Å; V11-D13 PolarHBondContact O-N 3.09Å | ||
| 12 | N | 96.6 | Very high | 93.1 | Very high | 98 Ų | 98 | 131 Ų | 131 | 52% | 0.524 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -74.1 | 82.8 | 178.2 | -171.5 | -26.2 | 0 | 0 | 0 | 111.1 | D46 N50 | N12-D46 VanDerWaalsContact CA-OD2 3.29Å; N12-D46 WeakPolarHBondContact CA-OD2 3.39Å; N12-D46 PolarHBondContact OD1-OD2 3.41Å; N12-N50 HydrophobicContact CB-CB 4.03Å |
| 13 | D | 96.8 | Very high | 93.8 | Very high | 118 Ų | 118 | 123 Ų | 123 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | trans | -116.3 | -0.4 | 177.6 | 70.2 | -19.4 | 0 | 0 | 0 | 113.5 | V11 D46 | V11-D13 VanDerWaalsContact C-N 3.31Å; V11-D13 PolarHBondContact O-N 3.09Å; D13-D46 PolarHBondContact N-OD2 2.91Å | ||
| 14 | H | 96.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 118 Ų | 118 | 41% | 0.407 | 61% | 0.614 | S | S | . | * | trans | -111.6 | 126.3 | 172 | -59.2 | 86.7 | 0 | 0 | 0 | 111.6 | A45 D46 | H14-A45 HydrophobicContact CB-CB 4.13Å; H14-D46 WeakPolarHBondContact CB-OD1 3.15Å; H14-D46 IonicContact CE1-OD1 3.52Å; H14-D46 IonicContact CG-OD1 3.6Å; H14-D46 PolarHBondContact N-OD2 3.31Å; H14-D46 IonicContact ND1-OD1 2.69Å; H14-D46 PolarHBondContact ND1-OD1 3.3Å | ||
| 15 | A | 96.2 | Very high | 94.6 | Very high | 64 Ų | 64 | 117.3 Ų | 117.3 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | trans | -85.8 | 141.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | R17 | A15-R17 PolarHBondContact O-N 2.93Š| ||
| 16 | P | 96.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 118.7 Ų | 118.7 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | trans | -54.9 | 134.6 | 171.1 | -24.7 | 30.1 | 0 | 0 | 0 | 112.5 | A42 Q43 D44 I52 | P16-A42 HydrophobicContact CB-CB 4.36Å; P16-Q43 CarbonylContact C-O 3.49Å; P16-Q43 WeakPolarHBondContact CA-O 3.49Å; P16-D44 VanDerWaalsContact CD-OD2 3.32Å; P16-D44 WeakPolarHBondContact CD-OD2 3.43Å; P16-D44 HydrophobicContact CG-CB 4.42Å; P16-D44 VanDerWaalsContact CG-OD2 3.28Å; P16-D44 WeakPolarHBondContact CG-OD2 3.28Å; P16-I52 HydrophobicContact CB-CG1 4.18Å; P16-I52 HydrophobicContact CG-CG1 4.29Å | ||
| 17 | R | 96.3 | Very high | 94.9 | Very high | 189 Ų | 189 | 115.4 Ų | 115.4 | 71% | 0.713 | 58% | 0.581 | S | S | * | * | B | Isolated β-bridge | trans | -133.8 | 136.6 | 178.5 | -68.3 | 175.3 | -174.2 | -131.2 | 0.8 | 112 | A15 A42 Q43 | A15-R17 PolarHBondContact O-N 2.93Å; R17-A42 CarbonylContact O-C 3.52Å; R17-A42 WeakPolarHBondContact O-CA 3.49Å; R17-Q43 PolarHBondContact N-O 2.92Å; R17-Q43 PolarHBondContact O-N 2.82Å |
| 18 | F | 95.6 | Very high | 94.9 | Very high | 111 Ų | 111 | 110 Ų | 110 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | trans | -76.3 | 145.4 | 167.1 | -68.5 | -81.6 | 0 | 0 | 0 | 110.4 | R20 E40 A42 Y55 | F18-R20 VanDerWaalsContact CB-O 3.26Å; F18-R20 WeakPolarHBondContact CB-O 3.45Å; F18-R20 PolarHBondContact O-N 3.49Å; F18-E40 WeakPolarHBondContact CD1-O 3.29Å; F18-E40 VanDerWaalsContact CE1-O 3.29Å; F18-E40 WeakPolarHBondContact CE1-O 3.42Å; F18-A42 HydrophobicContact CD1-CB 4.03Å; F18-A42 HydrophobicContact CD2-CB 4.45Å; F18-A42 HydrophobicContact CE1-CB 3.95Å; F18-A42 HydrophobicContact CE2-CB 4.38Å; F18-A42 HydrophobicContact CG-CB 4.3Å; F18-A42 HydrophobicContact CZ-CB 4.13Å; F18-Y55 HydrophobicContact CE1-CD1 4.34Å; F18-Y55 AromaticContact CE1-CE1 3.8Å; F18-Y55 HydrophobicContact CE1-CE1 3.8Å; F18-Y55 AromaticContact CZ-CD1 3.91Å; F18-Y55 HydrophobicContact CZ-CD1 3.91Å; F18-Y55 AromaticContact CZ-CE1 3.71Å; F18-Y55 HydrophobicContact CZ-CE1 3.71Å | ||
| 19 | P | 93.2 | Very high | 95 | Very high | 75 Ų | 75 | 112.4 Ų | 112.4 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -59.7 | -31 | 174.5 | -22.7 | 33.4 | 0 | 0 | 0 | 112.8 | K41 | P19-K41 WeakPolarHBondContact CD-O 3.24Š|
| 20 | R | 93.7 | Very high | 94.9 | Very high | 149 Ų | 149 | 111.9 Ų | 111.9 | 56% | 0.562 | 59% | 0.585 | S | S | * | * | trans | -119.6 | 137.9 | 177.1 | -62.8 | 176.4 | 174.2 | 174.1 | -3 | 109.9 | F18 Q22 E40 | F18-R20 VanDerWaalsContact CB-O 3.26Å; F18-R20 WeakPolarHBondContact CB-O 3.45Å; F18-R20 PolarHBondContact O-N 3.49Å; R20-Q22 VanDerWaalsContact C-N 3.33Å; R20-E40 IonicContact CZ-OE1 3.48Å; R20-E40 IonicContact NE-OE1 2.92Å; R20-E40 IonicContact NH1-OE1 3.3Å; R20-E40 PolarHBondContact NH1-OE1 2.88Å | ||
| 21 | Q | 91.3 | Very high | 95 | Very high | 209 Ų | 209 | 110 Ų | 110 | 98% | 0.977 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -77.4 | -23 | 176.9 | -67.6 | -175.9 | -10.9 | 0 | 0 | 112.8 | ||
| 22 | Q | 94.6 | Very high | 94.9 | Very high | 142 Ų | 142 | 109 Ų | 109 | 66% | 0.664 | 57% | 0.573 | S | S | * | * | trans | -137.9 | 140.8 | 177.1 | -177 | 174.3 | -10.5 | 0 | 0 | 109 | R20 D24 | R20-Q22 VanDerWaalsContact C-N 3.33Å; Q22-D24 PolarHBondContact NE2-OD1 3.28Å | ||
| 23 | L | 92.4 | Very high | 94.9 | Very high | 72 Ų | 72 | 108.5 Ų | 108.5 | 38% | 0.377 | 58% | 0.575 | S | S | . | * | trans | -130.6 | 115.2 | 174.3 | 177 | 68 | 0 | 0 | 0 | 107.5 | L25 L39 | L23-L25 HydrophobicContact CD1-CD2 4.42Å; L23-L25 HydrophobicContact CD2-CD1 4.37Å; L23-L25 HydrophobicContact CD2-CD2 4.02Å; L23-L25 HydrophobicContact CD2-CG 4.19Å; L23-L25 HydrophobicContact CG-CD2 4.07Å; L23-L25 HydrophobicContact CG-CG 4.14Å; L23-L39 HydrophobicContact CD2-CD2 3.88Å | ||
| 24 | D | 94.4 | Very high | 94.9 | Very high | 127 Ų | 127 | 104.8 Ų | 104.8 | 68% | 0.679 | 57% | 0.565 | S | S | * | * | trans | -92.2 | 128.6 | 172.5 | -57.5 | -44 | 0 | 0 | 0 | 108.7 | Q22 | Q22-D24 PolarHBondContact NE2-OD1 3.28Š| ||
| 25 | L | 92.9 | Very high | 94.8 | Very high | 77 Ų | 77 | 104.3 Ų | 104.3 | 40% | 0.403 | 56% | 0.563 | S | S | . | * | trans | -117.2 | 124.9 | -179.4 | -68.1 | 176 | 0 | 0 | 0 | 109.7 | L23 L39 L79 | L23-L25 HydrophobicContact CD1-CD2 4.42Å; L23-L25 HydrophobicContact CD2-CD1 4.37Å; L23-L25 HydrophobicContact CD2-CD2 4.02Å; L23-L25 HydrophobicContact CD2-CG 4.19Å; L23-L25 HydrophobicContact CG-CD2 4.07Å; L23-L25 HydrophobicContact CG-CG 4.14Å; L25-L39 HydrophobicContact CD1-CD2 4Å; L25-L79 HydrophobicContact CD1-CD1 3.63Å | ||
| 26 | E | 94.9 | Very high | 94.8 | Very high | 201 Ų | 201 | 106.7 Ų | 106.7 | 94% | 0.939 | 56% | 0.558 | S | S | * | * | trans | -97.1 | 111.9 | 173 | -66.1 | -179.3 | -172.9 | 0 | 0 | 109.1 | ||||
| 27 | I | 94.8 | Very high | 94.8 | Very high | 50 Ų | 50 | 104.9 Ų | 104.9 | 26% | 0.256 | 54% | 0.543 | S | S | . | . | trans | -118.5 | 118.9 | 179.4 | -60.4 | 174.2 | 0 | 0 | 0 | 107.2 | A31 F37 F63 | I27-A31 HydrophobicContact CG2-CB 3.91Å; I27-F37 HydrophobicContact CB-CZ 4.4Å; I27-F37 HydrophobicContact CD1-CD1 4.23Å; I27-F37 HydrophobicContact CD1-CD2 3.98Å; I27-F37 HydrophobicContact CD1-CE1 4.16Å; I27-F37 HydrophobicContact CD1-CE2 3.92Å; I27-F37 HydrophobicContact CD1-CG 4.14Å; I27-F37 HydrophobicContact CD1-CZ 4.01Å; I27-F37 HydrophobicContact CG1-CD1 4.16Å; I27-F37 HydrophobicContact CG1-CE1 3.84Å; I27-F37 HydrophobicContact CG1-CE2 4.4Å; I27-F37 HydrophobicContact CG1-CZ 3.97Å; I27-F37 HydrophobicContact CG2-CE1 4.17Å; I27-F37 HydrophobicContact CG2-CE2 4.21Å; I27-F37 HydrophobicContact CG2-CZ 3.61Å; I27-F63 HydrophobicContact CD1-CE1 3.51Å; I27-F63 HydrophobicContact CD1-CZ 3.55Å | ||
| 28 | G | 95.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 100.5 Ų | 100.5 | 56% | 0.557 | 54% | 0.539 | S | S | * | . | trans | -65.7 | 139.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | A30 A31 | G28-A30 PolarHBondContact O-N 2.78Å; G28-A30 VanDerWaalsContact O-N 3.09Å; G28-A31 WeakPolarHBondContact O-CB 3.39Å; G28-A31 PolarHBondContact O-N 3.48Å | ||
| 29 | E | 94.1 | Very high | 94.7 | Very high | 204 Ų | 204 | 97.2 Ų | 97.2 | 95% | 0.953 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.9 | 178.5 | 65.1 | -175.5 | 163.8 | 0 | 0 | 113.9 | A31 | E29-A31 VanDerWaalsContact C-N 3.27Å; E29-A31 PolarHBondContact O-N 3.33Å |
| 30 | A | 95.2 | Very high | 94.6 | Very high | 94 Ų | 94 | 96.8 Ų | 96.8 | 78% | 0.777 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G28 | G28-A30 PolarHBondContact O-N 2.78Å; G28-A30 VanDerWaalsContact O-N 3.09Å |
| 31 | A | 96.1 | Very high | 94.6 | Very high | 17 Ų | 17 | 94.6 Ų | 94.6 | 14% | 0.14 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 124.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | I27 G28 E29 F37 L81 | I27-A31 HydrophobicContact CG2-CB 3.91Å; G28-A31 WeakPolarHBondContact O-CB 3.39Å; G28-A31 PolarHBondContact O-N 3.48Å; E29-A31 VanDerWaalsContact C-N 3.27Å; E29-A31 PolarHBondContact O-N 3.33Å; A31-F37 HydrophobicContact CB-CZ 4.46Å; A31-L81 HydrophobicContact CB-CD2 3.69Å; A31-L81 WeakPolarHBondContact O-CD2 3.32Å |
| 32 | P | 96.1 | Very high | 94.8 | Very high | 79 Ų | 79 | 84.9 Ų | 84.9 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 143.6 | -179.8 | 26.7 | -35.5 | 0 | 0 | 0 | 111.7 | G34 Q35 | P32-G34 PolarHBondContact O-N 3.05Å; P32-Q35 VanDerWaalsContact O-CB 3.24Å; P32-Q35 WeakPolarHBondContact O-CB 3.38Å; P32-Q35 PolarHBondContact O-N 3.39Å; P32-Q35 VanDerWaalsContact O-N 3.12Å |
| 33 | P | 95.9 | Very high | 94.8 | Very high | 88 Ų | 88 | 83.9 Ų | 83.9 | 57% | 0.571 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 140.9 | 166.2 | -27.5 | 35.8 | 0 | 0 | 0 | 111.6 | ||
| 34 | G | 95.6 | Very high | 95 | Very high | 41 Ų | 41 | 81.8 Ų | 81.8 | 42% | 0.423 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -9.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P32 L80 L81 | P32-G34 PolarHBondContact O-N 3.05Å; G34-L80 WeakPolarHBondContact O-CD1 3.24Å; G34-L81 PolarHBondContact N-O 2.77Å |
| 35 | Q | 96.4 | Very high | 95 | Very high | 78 Ų | 78 | 79.2 Ų | 79.2 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | trans | -63.4 | 140.7 | 173.4 | -173.9 | 168.8 | -13.8 | 0 | 0 | 111 | P32 F37 L81 | P32-Q35 VanDerWaalsContact O-CB 3.24Å; P32-Q35 WeakPolarHBondContact O-CB 3.38Å; P32-Q35 PolarHBondContact O-N 3.39Å; P32-Q35 VanDerWaalsContact O-N 3.12Å; Q35-F37 HydrophobicContact CB-CE2 4.14Å; Q35-F37 HydrophobicContact CB-CZ 4.28Å; Q35-F37 HydrophobicContact CG-CE1 4.32Å; Q35-F37 HydrophobicContact CG-CE2 3.87Å; Q35-F37 HydrophobicContact CG-CZ 3.67Å; Q35-L81 PolarHBondContact O-N 3.43Å | ||
| 36 | R | 96.1 | Very high | 95.2 | Very high | 114 Ų | 114 | 75.8 Ų | 75.8 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.9 | -177.1 | -73.4 | 170.7 | 156.9 | 83.3 | -1.3 | 111.6 | D66 E78 L79 L80 | R36-D66 IonicContact CZ-OD2 3.9Å; R36-D66 IonicContact NE-OD2 3.44Å; R36-D66 PolarHBondContact NE-OD2 3.27Å; R36-D66 VanDerWaalsContact NE-OD2 3.1Å; R36-D66 IonicContact NH2-OD2 2.76Å; R36-D66 PolarHBondContact NH2-OD2 2.63Å; R36-E78 VanDerWaalsContact CD-OE2 3.32Å; R36-E78 WeakPolarHBondContact CD-OE2 3.26Å; R36-E78 IonicContact NE-OE2 2.74Å; R36-L79 CarbonylContact C-O 3.57Å; R36-L79 VanDerWaalsContact CA-O 3.24Å; R36-L79 WeakPolarHBondContact CA-O 3.48Å; R36-L80 HydrophobicContact CG-CD1 3.83Å |
| 37 | F | 95.6 | Very high | 95.1 | Very high | 31 Ų | 31 | 70.6 Ų | 70.6 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 109.4 | 179.5 | -56.2 | -90.5 | 0 | 0 | 0 | 109 | I27 A31 Q35 L39 E78 L79 L81 | I27-F37 HydrophobicContact CB-CZ 4.4Å; I27-F37 HydrophobicContact CD1-CD1 4.23Å; I27-F37 HydrophobicContact CD1-CD2 3.98Å; I27-F37 HydrophobicContact CD1-CE1 4.16Å; I27-F37 HydrophobicContact CD1-CE2 3.92Å; I27-F37 HydrophobicContact CD1-CG 4.14Å; I27-F37 HydrophobicContact CD1-CZ 4.01Å; I27-F37 HydrophobicContact CG1-CD1 4.16Å; I27-F37 HydrophobicContact CG1-CE1 3.84Å; I27-F37 HydrophobicContact CG1-CE2 4.4Å; I27-F37 HydrophobicContact CG1-CZ 3.97Å; I27-F37 HydrophobicContact CG2-CE1 4.17Å; I27-F37 HydrophobicContact CG2-CE2 4.21Å; I27-F37 HydrophobicContact CG2-CZ 3.61Å; A31-F37 HydrophobicContact CB-CZ 4.46Å; Q35-F37 HydrophobicContact CB-CE2 4.14Å; Q35-F37 HydrophobicContact CB-CZ 4.28Å; Q35-F37 HydrophobicContact CG-CE1 4.32Å; Q35-F37 HydrophobicContact CG-CE2 3.87Å; Q35-F37 HydrophobicContact CG-CZ 3.67Å; F37-L39 PolarHBondContact O-N 3.47Å; F37-E78 CarbonylContact O-C 3.58Å; F37-E78 WeakPolarHBondContact O-CA 3.45Å; F37-L79 HydrophobicContact CB-CB 4.29Å; F37-L79 PolarHBondContact N-O 2.96Å; F37-L79 PolarHBondContact O-N 2.89Å; F37-L81 HydrophobicContact CE2-CB 4.08Å |
| 38 | P | 93.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 71.6 Ų | 71.6 | 63% | 0.63 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 135.6 | 178.9 | -23.1 | 33.8 | 0 | 0 | 0 | 112 | ||
| 39 | L | 95.3 | Very high | 94.7 | Very high | 42 Ų | 42 | 74.5 Ų | 74.5 | 22% | 0.22 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 150.7 | 172.7 | -63.7 | 178.5 | 0 | 0 | 0 | 110.5 | L23 L25 F37 K41 L65 P77 L79 | L23-L39 HydrophobicContact CD2-CD2 3.88Å; L25-L39 HydrophobicContact CD1-CD2 4Å; F37-L39 PolarHBondContact O-N 3.47Å; L39-K41 PolarHBondContact O-N 3.12Å; L39-L65 HydrophobicContact CD1-CD1 4.05Å; L39-P77 HydrophobicContact CB-CB 4.2Å; L39-P77 HydrophobicContact CB-CG 3.99Å; L39-P77 WeakPolarHBondContact CB-O 3.28Å; L39-P77 HydrophobicContact CD1-CB 4.24Å; L39-P77 PolarHBondContact N-O 2.81Å; L39-L79 HydrophobicContact CD1-CD2 4.1Å; L39-L79 HydrophobicContact CD1-CG 3.85Å; L39-L79 HydrophobicContact CD2-CD1 3.91Å; L39-L79 HydrophobicContact CD2-CG 3.94Å; L39-L79 HydrophobicContact CG-CG 4.02Å |
| 40 | E | 92.7 | Very high | 94.8 | Very high | 67 Ų | 67 | 66.6 Ų | 66.6 | 31% | 0.313 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 131.4 | 169 | -71.8 | -176.2 | -167.5 | 0 | 0 | 109.5 | F18 R20 | F18-E40 WeakPolarHBondContact CD1-O 3.29Å; F18-E40 VanDerWaalsContact CE1-O 3.29Å; F18-E40 WeakPolarHBondContact CE1-O 3.42Å; R20-E40 IonicContact CZ-OE1 3.48Å; R20-E40 IonicContact NE-OE1 2.92Å; R20-E40 IonicContact NH1-OE1 3.3Å; R20-E40 PolarHBondContact NH1-OE1 2.88Å |
| 41 | K | 93.1 | Very high | 94.7 | Very high | 102 Ų | 102 | 64 Ų | 64 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 144.1 | 175.6 | 66.4 | 174 | -175.6 | 172.3 | 0 | 110.4 | P19 L39 | P19-K41 WeakPolarHBondContact CD-O 3.24Å; L39-K41 PolarHBondContact O-N 3.12Å |
| 42 | A | 95.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 162.7 | 164 | 0 | 0 | 0 | 0 | 0 | 110.3 | P16 R17 F18 I52 Y55 | P16-A42 HydrophobicContact CB-CB 4.36Å; R17-A42 CarbonylContact O-C 3.52Å; R17-A42 WeakPolarHBondContact O-CA 3.49Å; F18-A42 HydrophobicContact CD1-CB 4.03Å; F18-A42 HydrophobicContact CD2-CB 4.45Å; F18-A42 HydrophobicContact CE1-CB 3.95Å; F18-A42 HydrophobicContact CE2-CB 4.38Å; F18-A42 HydrophobicContact CG-CB 4.3Å; F18-A42 HydrophobicContact CZ-CB 4.13Å; A42-I52 HydrophobicContact CB-CD1 3.85Å; A42-I52 WeakPolarHBondContact O-CD1 3.42Å; A42-Y55 HydrophobicContact CB-CE1 3.95Å; A42-Y55 PolarHBondContact N-OH 2.74Å |
| 43 | Q | 94.6 | Very high | 94.6 | Very high | 122 Ų | 122 | 66 Ų | 66 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | B | Isolated β-bridge | trans | -124.6 | 137.7 | 177.7 | -60.8 | 176.8 | 8.7 | 0 | 0 | 108.8 | P16 R17 | P16-Q43 CarbonylContact C-O 3.49Å; P16-Q43 WeakPolarHBondContact CA-O 3.49Å; R17-Q43 PolarHBondContact N-O 2.92Å; R17-Q43 PolarHBondContact O-N 2.82Å |
| 44 | D | 96.3 | Very high | 94.5 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | trans | -137.6 | 133.7 | 176.8 | -164.6 | -27.5 | 0 | 0 | 0 | 107.2 | P16 D46 I52 | P16-D44 VanDerWaalsContact CD-OD2 3.32Å; P16-D44 WeakPolarHBondContact CD-OD2 3.43Å; P16-D44 HydrophobicContact CG-CB 4.42Å; P16-D44 VanDerWaalsContact CG-OD2 3.28Å; P16-D44 WeakPolarHBondContact CG-OD2 3.28Å; D44-D46 PolarHBondContact OD1-N 2.84Å; D44-I52 HydrophobicContact CB-CD1 4.27Å; D44-I52 HydrophobicContact CB-CG1 3.68Å | ||
| 45 | A | 95.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 64 Ų | 64 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -83.7 | -19 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | H14 | H14-A45 HydrophobicContact CB-CB 4.13Š|
| 46 | D | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -73.6 | 157.9 | 178.2 | -60.9 | -20.4 | 0 | 0 | 0 | 110.9 | N12 D13 H14 D44 N50 S51 | N12-D46 VanDerWaalsContact CA-OD2 3.29Å; N12-D46 WeakPolarHBondContact CA-OD2 3.39Å; N12-D46 PolarHBondContact OD1-OD2 3.41Å; D13-D46 PolarHBondContact N-OD2 2.91Å; H14-D46 WeakPolarHBondContact CB-OD1 3.15Å; H14-D46 IonicContact CE1-OD1 3.52Å; H14-D46 IonicContact CG-OD1 3.6Å; H14-D46 PolarHBondContact N-OD2 3.31Å; H14-D46 IonicContact ND1-OD1 2.69Å; H14-D46 PolarHBondContact ND1-OD1 3.3Å; D44-D46 PolarHBondContact OD1-N 2.84Å; D46-N50 HydrophobicContact CB-CB 3.58Å; D46-S51 VanDerWaalsContact O-CB 3.25Å; D46-S51 WeakPolarHBondContact O-CB 3.21Å; D46-S51 PolarHBondContact O-OG 2.74Å |
| 47 | V | 92.6 | Very high | 94.6 | Very high | 93 Ų | 93 | 69 Ų | 69 | 56% | 0.564 | 40% | 0.397 | S | S | * | . | trans | -114.3 | 161.4 | -171.1 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | D10 S49 N50 | D10-V47 HydrophobicContact CB-CG2 3.73Å; D10-V47 PolarHBondContact OD2-N 2.99Å; V47-S49 PolarHBondContact O-N 3.07Å; V47-N50 PolarHBondContact O-N 3.37Å; V47-N50 VanDerWaalsContact O-N 3.12Å | ||
| 48 | G | 90.6 | Very high | 94.7 | Very high | 70 Ų | 70 | 72.5 Ų | 72.5 | 72% | 0.722 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | 59.8 | -125.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | N50 S51 | G48-N50 VanDerWaalsContact C-N 3.27Å; G48-N50 PolarHBondContact O-N 2.76Å; G48-S51 PolarHBondContact O-N 2.69Å |
| 49 | S | 92 | Very high | 94.8 | Very high | 115 Ų | 115 | 74.1 Ų | 74.1 | 80% | 0.804 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -72.4 | -17.3 | -179.1 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | V47 S51 | V47-S49 PolarHBondContact O-N 3.07Å; S49-S51 VanDerWaalsContact C-N 3.33Å |
| 50 | N | 95.3 | Very high | 94.8 | Very high | 38 Ų | 38 | 75.2 Ų | 75.2 | 20% | 0.203 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -81.8 | -18.7 | 178.7 | -65 | -22.7 | 0 | 0 | 0 | 111.8 | D10 N12 D46 V47 G48 | D10-N50 WeakPolarHBondContact OD2-CB 3.04Å; D10-N50 PolarHBondContact OD2-ND2 2.9Å; N12-N50 HydrophobicContact CB-CB 4.03Å; D46-N50 HydrophobicContact CB-CB 3.58Å; V47-N50 PolarHBondContact O-N 3.37Å; V47-N50 VanDerWaalsContact O-N 3.12Å; G48-N50 VanDerWaalsContact C-N 3.27Å; G48-N50 PolarHBondContact O-N 2.76Å |
| 51 | S | 94.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 79 Ų | 79 | 28% | 0.28 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -71.7 | -177.1 | 174.3 | -153.2 | 0 | 0 | 0 | 0 | 113 | D46 G48 S49 S53 | D46-S51 VanDerWaalsContact O-CB 3.25Å; D46-S51 WeakPolarHBondContact O-CB 3.21Å; D46-S51 PolarHBondContact O-OG 2.74Å; G48-S51 PolarHBondContact O-N 2.69Å; S49-S51 VanDerWaalsContact C-N 3.33Å; S51-S53 PolarHBondContact O-N 2.92Å; S51-S53 VanDerWaalsContact O-N 3.12Å |
| 52 | I | 95.8 | Very high | 95.1 | Very high | 38 Ų | 38 | 78.7 Ų | 78.7 | 20% | 0.195 | 46% | 0.463 | C | S | . | . | trans | -58.6 | 116 | -174.5 | -53.8 | 169.1 | 0 | 0 | 0 | 111.7 | P16 A42 D44 Y55 L75 | P16-I52 HydrophobicContact CB-CG1 4.18Å; P16-I52 HydrophobicContact CG-CG1 4.29Å; A42-I52 HydrophobicContact CB-CD1 3.85Å; A42-I52 WeakPolarHBondContact O-CD1 3.42Å; D44-I52 HydrophobicContact CB-CD1 4.27Å; D44-I52 HydrophobicContact CB-CG1 3.68Å; I52-Y55 HydrophobicContact CG2-CE2 3.9Å; I52-L75 HydrophobicContact CG2-CD1 4.44Å | ||
| 53 | S | 93.6 | Very high | 95.2 | Very high | 101 Ų | 101 | 81.1 Ų | 81.1 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | trans | -99.2 | -27.3 | -176.8 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | S51 L75 | S51-S53 PolarHBondContact O-N 2.92Å; S51-S53 VanDerWaalsContact O-N 3.12Å; S53-L75 WeakPolarHBondContact O-CD1 3.43Å | ||
| 54 | S | 94.9 | Very high | 95.3 | Very high | 53 Ų | 53 | 76.5 Ų | 76.5 | 37% | 0.371 | 46% | 0.455 | S | S | . | . | trans | -162.6 | 160.3 | -177.3 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 55 | Y | 96.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 77.4 Ų | 77.4 | 13% | 0.125 | 46% | 0.46 | C | S | . | . | trans | -119 | 149.7 | 166.4 | -67.8 | -91.1 | 0 | 0 | 0 | 109 | F18 A42 I52 V67 L75 P77 | F18-Y55 HydrophobicContact CE1-CD1 4.34Å; F18-Y55 AromaticContact CE1-CE1 3.8Å; F18-Y55 HydrophobicContact CE1-CE1 3.8Å; F18-Y55 AromaticContact CZ-CD1 3.91Å; F18-Y55 HydrophobicContact CZ-CD1 3.91Å; F18-Y55 AromaticContact CZ-CE1 3.71Å; F18-Y55 HydrophobicContact CZ-CE1 3.71Å; A42-Y55 HydrophobicContact CB-CE1 3.95Å; A42-Y55 PolarHBondContact N-OH 2.74Å; I52-Y55 HydrophobicContact CG2-CE2 3.9Å; Y55-V67 HydrophobicContact CD2-CG1 3.97Å; Y55-V67 HydrophobicContact CD2-CG2 4.45Å; Y55-L75 HydrophobicContact CD2-CB 4.14Å; Y55-L75 HydrophobicContact CD2-CD1 4.44Å; Y55-L75 HydrophobicContact CE2-CB 3.65Å; Y55-L75 HydrophobicContact CE2-CD1 4.44Å; Y55-P77 HydrophobicContact CD1-CB 4.17Å; Y55-P77 HydrophobicContact CD1-CG 3.99Å; Y55-P77 HydrophobicContact CD2-CB 4.14Å; Y55-P77 HydrophobicContact CD2-CG 4.18Å; Y55-P77 HydrophobicContact CE1-CG 3.85Å; Y55-P77 HydrophobicContact CE2-CB 4.48Å; Y55-P77 HydrophobicContact CE2-CG 4.04Å; Y55-P77 HydrophobicContact CG-CB 3.98Å; Y55-P77 HydrophobicContact CG-CG 4.16Å | ||
| 56 | R | 96.6 | Very high | 95.4 | Very high | 224 Ų | 224 | 76 Ų | 76 | 85% | 0.845 | 44% | 0.441 | S | S | * | . | trans | -134.9 | 144.5 | 175.2 | -62.9 | -173.1 | -172.1 | 103.6 | 3.2 | 109.6 | ||||
| 57 | L | 96.6 | Very high | 95.4 | Very high | 75 Ų | 75 | 78.1 Ų | 78.1 | 39% | 0.393 | 46% | 0.455 | S | S | . | . | trans | -113.6 | 139.5 | 173.2 | -178.3 | 67.6 | 0 | 0 | 0 | 108.4 | F63 L65 L79 | L57-F63 HydrophobicContact CD2-CB 4.17Å; L57-F63 WeakPolarHBondContact CD2-O 3.34Å; L57-L65 HydrophobicContact CB-CB 3.75Å; L57-L65 HydrophobicContact CB-CD2 4.15Å; L57-L65 HydrophobicContact CB-CG 4.43Å; L57-L65 HydrophobicContact CD2-CB 4.24Å; L57-L79 HydrophobicContact CD1-CD2 4.05Å; L57-L79 HydrophobicContact CD2-CD2 3.6Å; L57-L79 HydrophobicContact CG-CD2 4.44Å | ||
| 58 | S | 97.4 | Very high | 95.5 | Very high | 104 Ų | 104 | 78 Ų | 78 | 73% | 0.727 | 45% | 0.446 | S | S | * | . | trans | -61 | 141.5 | 171.9 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | N60 | S58-N60 PolarHBondContact O-N 3.1Å; S58-N60 PolarHBondContact O-ND2 2.85Å; S58-N60 VanDerWaalsContact O-ND2 3.07Å | ||
| 59 | S | 95.4 | Very high | 95.6 | Very high | 131 Ų | 131 | 82.1 Ų | 82.1 | 92% | 0.916 | 45% | 0.445 | S | S | * | . | trans | -56.6 | 132.4 | 179.8 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 60 | N | 95.8 | Very high | 95.6 | Very high | 65 Ų | 65 | 82.4 Ų | 82.4 | 35% | 0.348 | 43% | 0.428 | S | S | . | . | trans | -157.7 | 171.7 | 178.5 | 73.6 | 87.7 | 0 | 0 | 0 | 109.7 | S58 H62 F63 | S58-N60 PolarHBondContact O-N 3.1Å; S58-N60 PolarHBondContact O-ND2 2.85Å; S58-N60 VanDerWaalsContact O-ND2 3.07Å; N60-H62 PolarHBondContact OD1-N 2.78Å; N60-F63 PolarHBondContact ND2-O 2.78Å; N60-F63 PolarHBondContact OD1-N 2.85Å; N60-F63 PolarHBondContact OD1-O 3.44Å | ||
| 61 | E | 95.7 | Very high | 95.3 | Very high | 146 Ų | 146 | 87.2 Ų | 87.2 | 68% | 0.682 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -96.1 | -10.6 | -173.5 | -60.7 | -170.3 | 165.9 | 0 | 0 | 115.2 | ||
| 62 | H | 95.8 | Very high | 95 | Very high | 96 Ų | 96 | 90.8 Ų | 90.8 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -110 | -31.5 | -168.3 | -63.3 | -70.1 | 0 | 0 | 0 | 113.3 | N60 E82 K83 | N60-H62 PolarHBondContact OD1-N 2.78Å; H62-E82 PolarHBondContact O-N 2.93Å; H62-K83 PolarHBondContact ND1-O 3.24Å |
| 63 | F | 97.1 | Very high | 94.5 | Very high | 55 Ų | 55 | 90.7 Ų | 90.7 | 24% | 0.241 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.8 | -169.5 | -59.5 | -76.8 | 0 | 0 | 0 | 112.3 | I27 L57 N60 L79 L80 L81 | I27-F63 HydrophobicContact CD1-CE1 3.51Å; I27-F63 HydrophobicContact CD1-CZ 3.55Å; L57-F63 HydrophobicContact CD2-CB 4.17Å; L57-F63 WeakPolarHBondContact CD2-O 3.34Å; N60-F63 PolarHBondContact ND2-O 2.78Å; N60-F63 PolarHBondContact OD1-N 2.85Å; N60-F63 PolarHBondContact OD1-O 3.44Å; F63-L79 HydrophobicContact CB-CD2 4.31Å; F63-L79 HydrophobicContact CD1-CB 4.33Å; F63-L80 VanDerWaalsContact CA-O 3.28Å; F63-L80 WeakPolarHBondContact CA-O 3.29Å; F63-L81 HydrophobicContact CD1-CB 4.42Å; F63-L81 HydrophobicContact CD1-CD1 4.14Å; F63-L81 HydrophobicContact CE1-CB 4.23Å; F63-L81 HydrophobicContact CE1-CD1 3.57Å; F63-L81 HydrophobicContact CE1-CG 4.5Å; F63-L81 HydrophobicContact CZ-CD1 3.97Å |
| 64 | A | 97.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 87.1 Ų | 87.1 | 21% | 0.207 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 160.7 | 162 | 0 | 0 | 0 | 0 | 0 | 110.8 | L80 E82 | A64-L80 HydrophobicContact CB-CB 4.3Å; A64-L80 HydrophobicContact CB-CD2 4.46Å; A64-L80 PolarHBondContact N-O 3.43Å; A64-L80 PolarHBondContact O-N 3.12Å; A64-E82 HydrophobicContact CB-CG 3.98Å |
| 65 | L | 97.3 | Very high | 94.2 | Very high | 47 Ų | 47 | 86 Ų | 86 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.7 | 172.8 | -177.4 | 69.6 | 0 | 0 | 0 | 109.6 | L39 L57 V67 P77 | L39-L65 HydrophobicContact CD1-CD1 4.05Å; L57-L65 HydrophobicContact CB-CB 3.75Å; L57-L65 HydrophobicContact CB-CD2 4.15Å; L57-L65 HydrophobicContact CB-CG 4.43Å; L57-L65 HydrophobicContact CD2-CB 4.24Å; L65-V67 HydrophobicContact CD2-CG2 3.96Å; L65-V67 HydrophobicContact CG-CG2 3.88Å; L65-P77 HydrophobicContact CD1-CB 4.01Å |
| 66 | D | 96.1 | Very high | 94.1 | Very high | 43 Ų | 43 | 85.3 Ų | 85.3 | 23% | 0.23 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.4 | 171.3 | -171.3 | 8.1 | 0 | 0 | 0 | 108.6 | R36 P77 E78 | R36-D66 IonicContact CZ-OD2 3.9Å; R36-D66 IonicContact NE-OD2 3.44Å; R36-D66 PolarHBondContact NE-OD2 3.27Å; R36-D66 VanDerWaalsContact NE-OD2 3.1Å; R36-D66 IonicContact NH2-OD2 2.76Å; R36-D66 PolarHBondContact NH2-OD2 2.63Å; D66-P77 CarbonylContact O-C 3.6Å; D66-E78 PolarHBondContact N-O 3.42Å; D66-E78 PolarHBondContact O-N 3.23Å |
| 67 | V | 96.6 | Very high | 94.1 | Very high | 50 Ų | 50 | 74.7 Ų | 74.7 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 109.1 | -178.4 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | Y55 L65 L75 V76 | Y55-V67 HydrophobicContact CD2-CG1 3.97Å; Y55-V67 HydrophobicContact CD2-CG2 4.45Å; L65-V67 HydrophobicContact CD2-CG2 3.96Å; L65-V67 HydrophobicContact CG-CG2 3.88Å; V67-L75 HydrophobicContact CG1-CB 3.96Å; V67-L75 HydrophobicContact CG1-CD1 4.41Å; V67-L75 HydrophobicContact CG1-CD2 4.16Å; V67-L75 HydrophobicContact CG1-CG 4.4Å; V67-V76 WeakPolarHBondContact CA-O 3.32Å |
| 68 | K | 94.6 | Very high | 94.1 | Very high | 89 Ų | 89 | 72.3 Ų | 72.3 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 141 | 177.7 | -65 | 173.7 | -177.5 | 159.9 | 0 | 110.6 | L75 V76 E78 | K68-L75 CarbonylContact O-C 3.55Å; K68-L75 WeakPolarHBondContact O-CA 3.44Å; K68-V76 HydrophobicContact CB-CB 4.32Å; K68-V76 PolarHBondContact N-O 3.25Å; K68-V76 PolarHBondContact O-N 3.27Å; K68-E78 WeakPolarHBondContact CE-OE2 3.45Å; K68-E78 IonicContact NZ-OE1 3.1Å; K68-E78 PolarHBondContact NZ-OE1 2.97Å; K68-E78 IonicContact NZ-OE2 3.36Å; K68-E78 PolarHBondContact NZ-OE2 3.21Å |
| 69 | K | 93.7 | Very high | 94.1 | Very high | 158 Ų | 158 | 68.1 Ų | 68.1 | 69% | 0.687 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.5 | 171.3 | -168.2 | 173.6 | -176.6 | 175.8 | 0 | 109.6 | L75 | K69-L75 HydrophobicContact CB-CD2 4.05Å; K69-L75 HydrophobicContact CG-CD2 4.06Å |
| 70 | R | 90.4 | Very high | 94.2 | Very high | 120 Ų | 120 | 63.6 Ų | 63.6 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 166.5 | 173.8 | -71.8 | -169.5 | -176.3 | 108.3 | 2.2 | 111.1 | D72 G73 S74 V76 | R70-D72 WeakPolarHBondContact CB-OD1 3.21Å; R70-D72 PolarHBondContact O-N 2.87Å; R70-G73 PolarHBondContact O-N 2.76Å; R70-S74 PolarHBondContact N-O 3.43Å; R70-V76 HydrophobicContact CG-CG2 3.68Å |
| 71 | S | 90.4 | Very high | 94.2 | Very high | 139 Ų | 139 | 61 Ų | 61 | 97% | 0.972 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.8 | 177.2 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | G73 | S71-G73 PolarHBondContact O-N 2.99Š|
| 72 | D | 87.1 | Confident | 94.2 | Very high | 115 Ų | 115 | 59.1 Ų | 59.1 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 2.1 | 174.2 | 66.8 | -3.1 | 0 | 0 | 0 | 113.2 | R70 S74 | R70-D72 WeakPolarHBondContact CB-OD1 3.21Å; R70-D72 PolarHBondContact O-N 2.87Å; D72-S74 VanDerWaalsContact C-N 3.27Å; D72-S74 PolarHBondContact O-N 2.78Å; D72-S74 WeakPolarHBondContact OD1-CB 3.13Å; D72-S74 PolarHBondContact OD1-N 2.84Å; D72-S74 PolarHBondContact OD1-OG 2.96Å; D72-S74 PolarHBondContact OD2-OG 3.44Å |
| 73 | G | 85.9 | Confident | 93.6 | Very high | 36 Ų | 36 | 62.9 Ų | 62.9 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 84.4 | -8.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R70 S71 | R70-G73 PolarHBondContact O-N 2.76Å; S71-G73 PolarHBondContact O-N 2.99Å |
| 74 | S | 88 | Confident | 93.5 | Very high | 27 Ų | 27 | 63.3 Ų | 63.3 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | trans | -68.9 | 142.1 | 180 | 70.2 | 0 | 0 | 0 | 0 | 112 | R70 D72 | R70-S74 PolarHBondContact N-O 3.43Å; D72-S74 VanDerWaalsContact C-N 3.27Å; D72-S74 PolarHBondContact O-N 2.78Å; D72-S74 WeakPolarHBondContact OD1-CB 3.13Å; D72-S74 PolarHBondContact OD1-N 2.84Å; D72-S74 PolarHBondContact OD1-OG 2.96Å; D72-S74 PolarHBondContact OD2-OG 3.44Å | ||
| 75 | L | 94.3 | Very high | 93.3 | Very high | 30 Ų | 30 | 65.3 Ų | 65.3 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 139.9 | 179.2 | -64 | -177.7 | 0 | 0 | 0 | 111.2 | I52 S53 Y55 V67 K68 K69 | I52-L75 HydrophobicContact CG2-CD1 4.44Å; S53-L75 WeakPolarHBondContact O-CD1 3.43Å; Y55-L75 HydrophobicContact CD2-CB 4.14Å; Y55-L75 HydrophobicContact CD2-CD1 4.44Å; Y55-L75 HydrophobicContact CE2-CB 3.65Å; Y55-L75 HydrophobicContact CE2-CD1 4.44Å; V67-L75 HydrophobicContact CG1-CB 3.96Å; V67-L75 HydrophobicContact CG1-CD1 4.41Å; V67-L75 HydrophobicContact CG1-CD2 4.16Å; V67-L75 HydrophobicContact CG1-CG 4.4Å; K68-L75 CarbonylContact O-C 3.55Å; K68-L75 WeakPolarHBondContact O-CA 3.44Å; K69-L75 HydrophobicContact CB-CD2 4.05Å; K69-L75 HydrophobicContact CG-CD2 4.06Å |
| 76 | V | 95.1 | Very high | 93 | Very high | 17 Ų | 17 | 66.3 Ų | 66.3 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 102.7 | -177.4 | -165 | 0 | 0 | 0 | 0 | 109.1 | V67 K68 R70 | V67-V76 WeakPolarHBondContact CA-O 3.32Å; K68-V76 HydrophobicContact CB-CB 4.32Å; K68-V76 PolarHBondContact N-O 3.25Å; K68-V76 PolarHBondContact O-N 3.27Å; R70-V76 HydrophobicContact CG-CG2 3.68Å |
| 77 | P | 96.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.4 | 175.7 | 29.8 | -31.1 | 0 | 0 | 0 | 111.3 | L39 Y55 L65 D66 | L39-P77 HydrophobicContact CB-CB 4.2Å; L39-P77 HydrophobicContact CB-CG 3.99Å; L39-P77 WeakPolarHBondContact CB-O 3.28Å; L39-P77 HydrophobicContact CD1-CB 4.24Å; L39-P77 PolarHBondContact N-O 2.81Å; Y55-P77 HydrophobicContact CD1-CB 4.17Å; Y55-P77 HydrophobicContact CD1-CG 3.99Å; Y55-P77 HydrophobicContact CD2-CB 4.14Å; Y55-P77 HydrophobicContact CD2-CG 4.18Å; Y55-P77 HydrophobicContact CE1-CG 3.85Å; Y55-P77 HydrophobicContact CE2-CB 4.48Å; Y55-P77 HydrophobicContact CE2-CG 4.04Å; Y55-P77 HydrophobicContact CG-CB 3.98Å; Y55-P77 HydrophobicContact CG-CG 4.16Å; L65-P77 HydrophobicContact CD1-CB 4.01Å; D66-P77 CarbonylContact O-C 3.6Å |
| 78 | E | 97.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 68.8 Ų | 68.8 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.5 | 172.6 | -63.5 | 177.3 | 172 | 0 | 0 | 108.7 | R36 F37 D66 K68 | R36-E78 VanDerWaalsContact CD-OE2 3.32Å; R36-E78 WeakPolarHBondContact CD-OE2 3.26Å; R36-E78 IonicContact NE-OE2 2.74Å; F37-E78 CarbonylContact O-C 3.58Å; F37-E78 WeakPolarHBondContact O-CA 3.45Å; D66-E78 PolarHBondContact N-O 3.42Å; D66-E78 PolarHBondContact O-N 3.23Å; K68-E78 WeakPolarHBondContact CE-OE2 3.45Å; K68-E78 IonicContact NZ-OE1 3.1Å; K68-E78 PolarHBondContact NZ-OE1 2.97Å; K68-E78 IonicContact NZ-OE2 3.36Å; K68-E78 PolarHBondContact NZ-OE2 3.21Å |
| 79 | L | 97 | Very high | 92.5 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131.4 | 166.2 | -69 | 175.9 | 0 | 0 | 0 | 109.4 | L25 R36 F37 L39 L57 F63 | L25-L79 HydrophobicContact CD1-CD1 3.63Å; R36-L79 CarbonylContact C-O 3.57Å; R36-L79 VanDerWaalsContact CA-O 3.24Å; R36-L79 WeakPolarHBondContact CA-O 3.48Å; F37-L79 HydrophobicContact CB-CB 4.29Å; F37-L79 PolarHBondContact N-O 2.96Å; F37-L79 PolarHBondContact O-N 2.89Å; L39-L79 HydrophobicContact CD1-CD2 4.1Å; L39-L79 HydrophobicContact CD1-CG 3.85Å; L39-L79 HydrophobicContact CD2-CD1 3.91Å; L39-L79 HydrophobicContact CD2-CG 3.94Å; L39-L79 HydrophobicContact CG-CG 4.02Å; L57-L79 HydrophobicContact CD1-CD2 4.05Å; L57-L79 HydrophobicContact CD2-CD2 3.6Å; L57-L79 HydrophobicContact CG-CD2 4.44Å; F63-L79 HydrophobicContact CB-CD2 4.31Å; F63-L79 HydrophobicContact CD1-CB 4.33Å |
| 80 | L | 97 | Very high | 92.4 | Very high | 35 Ų | 35 | 61 Ų | 61 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.9 | 172.2 | 178.2 | 67.6 | 0 | 0 | 0 | 108.3 | G34 R36 F63 A64 E82 | G34-L80 WeakPolarHBondContact O-CD1 3.24Å; R36-L80 HydrophobicContact CG-CD1 3.83Å; F63-L80 VanDerWaalsContact CA-O 3.28Å; F63-L80 WeakPolarHBondContact CA-O 3.29Å; A64-L80 HydrophobicContact CB-CB 4.3Å; A64-L80 HydrophobicContact CB-CD2 4.46Å; A64-L80 PolarHBondContact N-O 3.43Å; A64-L80 PolarHBondContact O-N 3.12Å; L80-E82 PolarHBondContact O-N 3.12Å |
| 81 | L | 96.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 118.8 | 172 | -179.9 | 66.1 | 0 | 0 | 0 | 109.3 | A31 G34 Q35 F37 F63 K83 | A31-L81 HydrophobicContact CB-CD2 3.69Å; A31-L81 WeakPolarHBondContact O-CD2 3.32Å; G34-L81 PolarHBondContact N-O 2.77Å; Q35-L81 PolarHBondContact O-N 3.43Å; F37-L81 HydrophobicContact CE2-CB 4.08Å; F63-L81 HydrophobicContact CD1-CB 4.42Å; F63-L81 HydrophobicContact CD1-CD1 4.14Å; F63-L81 HydrophobicContact CE1-CB 4.23Å; F63-L81 HydrophobicContact CE1-CD1 3.57Å; F63-L81 HydrophobicContact CE1-CG 4.5Å; F63-L81 HydrophobicContact CZ-CD1 3.97Å; L81-K83 WeakPolarHBondContact CD1-O 3.25Å |
| 82 | E | 94.3 | Very high | 92.8 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | trans | -97.5 | -30.9 | 178.4 | -64.1 | -164.8 | 135.4 | 0 | 0 | 112.7 | H62 A64 L80 | H62-E82 PolarHBondContact O-N 2.93Å; A64-E82 HydrophobicContact CB-CG 3.98Å; L80-E82 PolarHBondContact O-N 3.12Å | ||
| 83 | K | 84.2 | Confident | 93.3 | Very high | 176 Ų | 176 | 43.6 Ų | 43.6 | 77% | 0.765 | 23% | 0.23 | S | C | * | . | trans | -147.7 | 0 | -176.1 | -67.1 | -176.9 | -171.3 | 166.2 | 0 | 113.1 | H62 L81 | H62-K83 PolarHBondContact ND1-O 3.24Å; L81-K83 WeakPolarHBondContact CD1-O 3.25Å |
Retrieved 83 of 83 residues in 96.3 ms
(Link to these results)