| 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 | 54.8 | Low | 84.1 | Confident | 227 Ų | 227 | 121.1 Ų | 121.1 | 100% | 1.118 | 66% | 0.662 | S | S | * | * | 0 | 127.7 | 0 | -57.5 | -64.3 | -159.5 | 0 | 0 | 107.3 | L3 | M1-L3 PolarHBondContact O-N 2.86Š| |||
| 2 | P | 73.6 | Confident | 84.8 | Confident | 110 Ų | 110 | 116.4 Ų | 116.4 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -59 | 140.9 | 166.3 | 26.9 | -29.7 | 0 | 0 | 0 | 108 | ||
| 3 | L | 82.7 | Confident | 85.5 | Confident | 161 Ų | 161 | 118.1 Ų | 118.1 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 151.4 | 170.1 | -77.4 | 136.1 | 0 | 0 | 0 | 109.9 | M1 K5 | M1-L3 PolarHBondContact O-N 2.86Å; L3-K5 PolarHBondContact O-N 3.2Å |
| 4 | A | 84.5 | Confident | 85.9 | Confident | 107 Ų | 107 | 116.1 Ų | 116.1 | 88% | 0.884 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 127.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 5 | K | 84.1 | Confident | 86.4 | Confident | 149 Ų | 149 | 112.2 Ų | 112.2 | 65% | 0.648 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 134.9 | 179.8 | -67.6 | -174 | 177.4 | -175 | 0 | 109.7 | L3 L7 | L3-K5 PolarHBondContact O-N 3.2Å; K5-L7 PolarHBondContact O-N 3.35Å |
| 6 | D | 89.3 | Confident | 86.8 | Confident | 92 Ų | 92 | 115.1 Ų | 115.1 | 49% | 0.492 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 117.4 | 169.3 | -169.8 | -13.3 | 0 | 0 | 0 | 109.5 | L8 H9 | D6-L8 PolarHBondContact OD1-N 3.21Å; D6-H9 PolarHBondContact OD1-N 3.41Å; D6-H9 IonicContact OD1-ND1 3.09Å; D6-H9 WeakPolarHBondContact OD2-CB 3.4Å; D6-H9 IonicContact OD2-CG 3.64Å; D6-H9 IonicContact OD2-ND1 3.68Å; D6-H9 PolarHBondContact OD2-ND1 3.36Å; D6-H9 VanDerWaalsContact OD2-ND1 3.09Å |
| 7 | L | 88.8 | Confident | 87.3 | Confident | 141 Ų | 141 | 120.9 Ų | 120.9 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -91.7 | -23.3 | 178.4 | -63.3 | 179 | 0 | 0 | 0 | 112.8 | K5 | K5-L7 PolarHBondContact O-N 3.35Š|
| 8 | L | 91.8 | Very high | 87.6 | Confident | 126 Ų | 126 | 118.5 Ų | 118.5 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -84.5 | -31.5 | -176.4 | -68.2 | 171.5 | 0 | 0 | 0 | 111.2 | D6 P10 L24 | D6-L8 PolarHBondContact OD1-N 3.21Å; L8-P10 VanDerWaalsContact C-CD 3.44Å; L8-P10 WeakPolarHBondContact O-CD 3.25Å; L8-L24 WeakPolarHBondContact O-CD2 3.48Å |
| 9 | H | 91.5 | Very high | 88.1 | Confident | 142 Ų | 142 | 117.6 Ų | 117.6 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -127.1 | 65.9 | -180 | -42 | 95.1 | 0 | 0 | 0 | 111.1 | D6 | D6-H9 PolarHBondContact OD1-N 3.41Å; D6-H9 IonicContact OD1-ND1 3.09Å; D6-H9 WeakPolarHBondContact OD2-CB 3.4Å; D6-H9 IonicContact OD2-CG 3.64Å; D6-H9 IonicContact OD2-ND1 3.68Å; D6-H9 PolarHBondContact OD2-ND1 3.36Å; D6-H9 VanDerWaalsContact OD2-ND1 3.09Å |
| 10 | P | 91.6 | Very high | 88.4 | Confident | 23 Ų | 23 | 116.6 Ų | 116.6 | 15% | 0.149 | 59% | 0.594 | C | S | . | * | trans | -60 | 149.4 | 175.4 | 28 | -35.4 | 0 | 0 | 0 | 110.8 | L8 E15 | L8-P10 VanDerWaalsContact C-CD 3.44Å; L8-P10 WeakPolarHBondContact O-CD 3.25Å; P10-E15 HydrophobicContact CB-CG 3.97Å; P10-E15 HydrophobicContact CG-CG 3.57Å | ||
| 11 | S | 92.5 | Very high | 88.8 | Confident | 54 Ų | 54 | 116.9 Ų | 116.9 | 38% | 0.378 | 60% | 0.597 | S | S | . | * | trans | -64.9 | 149.6 | 174.5 | 64.8 | 0 | 0 | 0 | 0 | 111.1 | E13 E14 E15 | S11-E13 PolarHBondContact O-N 3.44Å; S11-E13 VanDerWaalsContact O-N 3.13Å; S11-E14 PolarHBondContact N-OE2 2.92Å; S11-E14 VanDerWaalsContact N-OE2 3.1Å; S11-E14 PolarHBondContact O-N 2.9Å; S11-E14 WeakPolarHBondContact OG-CB 3.41Å; S11-E14 WeakPolarHBondContact OG-CG 3.08Å; S11-E14 PolarHBondContact OG-N 3.02Å; S11-E14 PolarHBondContact OG-OE2 2.8Å; S11-E15 PolarHBondContact O-N 3.39Å | ||
| 12 | A | 93.1 | Very high | 90.7 | Very high | 65 Ų | 65 | 113.7 Ų | 113.7 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.3 | -28.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K16 | A12-K16 WeakPolarHBondContact O-CB 2.96Å; A12-K16 WeakPolarHBondContact O-CD 3.49Å; A12-K16 WeakPolarHBondContact O-CG 3.38Å; A12-K16 PolarHBondContact O-N 2.78Å; A12-K16 VanDerWaalsContact O-N 3.17Å |
| 13 | E | 93.5 | Very high | 91.7 | Very high | 138 Ų | 138 | 109.4 Ų | 109.4 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.3 | -42.8 | 175.2 | -63.3 | -173.1 | -178.8 | 0 | 0 | 112.1 | S11 K16 R17 | S11-E13 PolarHBondContact O-N 3.44Å; S11-E13 VanDerWaalsContact O-N 3.13Å; E13-K16 PolarHBondContact O-N 2.84Å; E13-R17 WeakPolarHBondContact O-CG 3.21Å; E13-R17 PolarHBondContact O-N 3.47Å |
| 14 | E | 91.5 | Very high | 92.2 | Very high | 90 Ų | 90 | 106.3 Ų | 106.3 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.4 | -74.8 | 169.7 | 143.4 | 0 | 0 | 111.4 | S11 R17 K18 | S11-E14 PolarHBondContact N-OE2 2.92Å; S11-E14 VanDerWaalsContact N-OE2 3.1Å; S11-E14 PolarHBondContact O-N 2.9Å; S11-E14 WeakPolarHBondContact OG-CB 3.41Å; S11-E14 WeakPolarHBondContact OG-CG 3.08Å; S11-E14 PolarHBondContact OG-N 3.02Å; S11-E14 PolarHBondContact OG-OE2 2.8Å; E14-R17 PolarHBondContact O-N 3.48Å; E14-K18 WeakPolarHBondContact O-CG 3.3Å; E14-K18 PolarHBondContact O-N 3.37Å |
| 15 | E | 92.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 106.3 Ų | 106.3 | 27% | 0.271 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175 | -76.4 | -150.2 | 123.9 | 0 | 0 | 112.5 | P10 S11 R17 K18 H23 L24 | P10-E15 HydrophobicContact CB-CG 3.97Å; P10-E15 HydrophobicContact CG-CG 3.57Å; S11-E15 PolarHBondContact O-N 3.39Å; E15-R17 PolarHBondContact O-N 2.93Å; E15-K18 WeakPolarHBondContact O-CB 3.34Å; E15-K18 PolarHBondContact O-N 3.08Å; E15-K18 VanDerWaalsContact O-N 3.09Å; E15-H23 PolarHBondContact O-CE1 2.81Å; E15-H23 PolarHBondContact O-NE2 3.44Å; E15-H23 VanDerWaalsContact O-NE2 3.16Å; E15-L24 WeakPolarHBondContact OE1-CB 3.2Å; E15-L24 PolarHBondContact OE1-N 3.37Å |
| 16 | K | 93.4 | Very high | 93.2 | Very high | 159 Ų | 159 | 103.1 Ų | 103.1 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.7 | -33.4 | 179.4 | -76.8 | 170.6 | -174.7 | 174.7 | 0 | 113.1 | A12 E13 | A12-K16 WeakPolarHBondContact O-CB 2.96Å; A12-K16 WeakPolarHBondContact O-CD 3.49Å; A12-K16 WeakPolarHBondContact O-CG 3.38Å; A12-K16 PolarHBondContact O-N 2.78Å; A12-K16 VanDerWaalsContact O-N 3.17Å; E13-K16 PolarHBondContact O-N 2.84Å |
| 17 | R | 94 | Very high | 93.4 | Very high | 214 Ų | 214 | 103.7 Ų | 103.7 | 81% | 0.808 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.3 | -26.2 | 177.7 | -72.1 | 179 | -174.8 | -157.1 | 4.3 | 112.8 | E13 E14 E15 | E13-R17 WeakPolarHBondContact O-CG 3.21Å; E13-R17 PolarHBondContact O-N 3.47Å; E14-R17 PolarHBondContact O-N 3.48Å; E15-R17 PolarHBondContact O-N 2.93Å |
| 18 | K | 94.2 | Very high | 93.7 | Very high | 77 Ų | 77 | 100.9 Ų | 100.9 | 34% | 0.335 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -66.3 | 155.9 | -179.5 | -68.9 | 172.4 | -167.6 | 179.3 | 0 | 111.4 | E14 E15 K22 H23 K29 | E14-K18 WeakPolarHBondContact O-CG 3.3Å; E14-K18 PolarHBondContact O-N 3.37Å; E15-K18 WeakPolarHBondContact O-CB 3.34Å; E15-K18 PolarHBondContact O-N 3.08Å; E15-K18 VanDerWaalsContact O-N 3.09Å; K18-K22 WeakPolarHBondContact CD-O 3.39Å; K18-H23 PolarHBondContact O-NE2 2.67Å; K18-K29 PolarHBondContact O-NZ 3.34Å |
| 19 | H | 95.9 | Very high | 93.8 | Very high | 101 Ų | 101 | 100.3 Ų | 100.3 | 47% | 0.468 | 50% | 0.496 | S | S | . | . | trans | -69 | 146.2 | 169.1 | 179.1 | -100 | 0 | 0 | 0 | 109.3 | L21 K22 H23 | H19-L21 PolarHBondContact ND1-N 2.88Å; H19-L21 PolarHBondContact O-N 3.05Å; H19-K22 HydrophobicContact CB-CB 4.46Å; H19-K22 HydrophobicContact CB-CD 4.41Å; H19-K22 HydrophobicContact CB-CG 4.32Å; H19-K22 WeakPolarHBondContact O-CA 3.18Å; H19-K22 PolarHBondContact O-N 3.25Å; H19-H23 PolarHBondContact O-CD2 3.4Å | ||
| 20 | K | 95.3 | Very high | 93.9 | Very high | 98 Ų | 98 | 95 Ų | 95 | 43% | 0.426 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -29.9 | -174.1 | 65.6 | 179.5 | 179.6 | 179 | 0 | 115.2 | K29 | K20-K29 HydrophobicContact CB-CG 4.25Š|
| 21 | L | 96.2 | Very high | 94.1 | Very high | 123 Ų | 123 | 95.8 Ų | 95.8 | 64% | 0.644 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -10.9 | 177.5 | -60.8 | 177.8 | 0 | 0 | 0 | 114.2 | H19 | H19-L21 PolarHBondContact ND1-N 2.88Å; H19-L21 PolarHBondContact O-N 3.05Å |
| 22 | K | 95.2 | Very high | 94.3 | Very high | 160 Ų | 160 | 98.3 Ų | 98.3 | 70% | 0.696 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -107.8 | 9.7 | -177.3 | -62.5 | -172.5 | 175.9 | -175.5 | 0 | 112.7 | K18 H19 | K18-K22 WeakPolarHBondContact CD-O 3.39Å; H19-K22 HydrophobicContact CB-CB 4.46Å; H19-K22 HydrophobicContact CB-CD 4.41Å; H19-K22 HydrophobicContact CB-CG 4.32Å; H19-K22 WeakPolarHBondContact O-CA 3.18Å; H19-K22 PolarHBondContact O-N 3.25Å |
| 23 | H | 93.9 | Very high | 94.4 | Very high | 20 Ų | 20 | 95.5 Ų | 95.5 | 9% | 0.093 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -68.4 | 163.7 | 172 | -72 | -149.3 | 0 | 0 | 0 | 109.7 | E15 K18 H19 V25 H27 | E15-H23 PolarHBondContact O-CE1 2.81Å; E15-H23 PolarHBondContact O-NE2 3.44Å; E15-H23 VanDerWaalsContact O-NE2 3.16Å; K18-H23 PolarHBondContact O-NE2 2.67Å; H19-H23 PolarHBondContact O-CD2 3.4Å; H23-V25 VanDerWaalsContact CB-O 3.26Å; H23-V25 WeakPolarHBondContact CB-O 3.42Å; H23-V25 PolarHBondContact O-N 2.92Å; H23-H27 AromaticContact CE1-CE1 3.18Å; H23-H27 PolarHBondContact CE1-CE1 2.8Å; H23-H27 AromaticContact CE1-ND1 3.83Å; H23-H27 AromaticContact ND1-CE1 3.03Å; H23-H27 PolarHBondContact ND1-CE1 2.78Å; H23-H27 AromaticContact ND1-ND1 3.42Å; H23-H27 PolarHBondContact ND1-ND1 3.14Å; H23-H27 AromaticContact ND1-NE2 3.81Å |
| 24 | L | 93.7 | Very high | 94.4 | Very high | 96 Ų | 96 | 90.7 Ų | 90.7 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -59 | -44.6 | 173 | -177.1 | 66.5 | 0 | 0 | 0 | 109.9 | L8 E15 | L8-L24 WeakPolarHBondContact O-CD2 3.48Å; E15-L24 WeakPolarHBondContact OE1-CB 3.2Å; E15-L24 PolarHBondContact OE1-N 3.37Å |
| 25 | V | 94.5 | Very high | 94.5 | Very high | 107 Ų | 107 | 86.4 Ų | 86.4 | 65% | 0.648 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -117.6 | 117.6 | 168.2 | -178.5 | 0 | 0 | 0 | 0 | 109 | H23 H27 | H23-V25 VanDerWaalsContact CB-O 3.26Å; H23-V25 WeakPolarHBondContact CB-O 3.42Å; H23-V25 PolarHBondContact O-N 2.92Å; V25-H27 PolarHBondContact O-N 2.83Å |
| 26 | P | 95.4 | Very high | 94.6 | Very high | 82 Ų | 82 | 87.6 Ų | 87.6 | 53% | 0.532 | 42% | 0.418 | S | S | . | . | trans | -63.5 | 133.2 | 178.7 | -23.3 | 33.9 | 0 | 0 | 0 | 112.5 | ||||
| 27 | H | 93.4 | Very high | 94.6 | Very high | 104 Ų | 104 | 80.1 Ų | 80.1 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | trans | -149.8 | 154.7 | 177.6 | 67.9 | 0.6 | 0 | 0 | 0 | 111.2 | H23 V25 | H23-H27 AromaticContact CE1-CE1 3.18Å; H23-H27 PolarHBondContact CE1-CE1 2.8Å; H23-H27 AromaticContact CE1-ND1 3.83Å; H23-H27 AromaticContact ND1-CE1 3.03Å; H23-H27 PolarHBondContact ND1-CE1 2.78Å; H23-H27 AromaticContact ND1-ND1 3.42Å; H23-H27 PolarHBondContact ND1-ND1 3.14Å; H23-H27 AromaticContact ND1-NE2 3.81Å; V25-H27 PolarHBondContact O-N 2.83Å | ||
| 28 | P | 94.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 71.7 Ų | 71.7 | 53% | 0.532 | 37% | 0.365 | S | S | . | . | trans | -71.1 | 144.3 | 179.3 | 28.9 | -34.4 | 0 | 0 | 0 | 112.3 | S30 | P28-S30 VanDerWaalsContact C-N 3.31Š| ||
| 29 | K | 93.5 | Very high | 94.1 | Very high | 113 Ų | 113 | 75.1 Ų | 75.1 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -83.7 | -7.7 | 168.1 | -65.8 | -169.9 | -179.7 | -168.5 | 0 | 112.9 | K18 K20 | K18-K29 PolarHBondContact O-NZ 3.34Å; K20-K29 HydrophobicContact CB-CG 4.25Å |
| 30 | S | 94.9 | Very high | 93.8 | Very high | 31 Ų | 31 | 72.2 Ų | 72.2 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | trans | -81.5 | 150.5 | 179.5 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | P28 F47 Y84 | P28-S30 VanDerWaalsContact C-N 3.31Å; S30-F47 VanDerWaalsContact CB-CZ 3.42Å; S30-Y84 PolarHBondContact O-OH 3.47Å | ||
| 31 | Y | 95.4 | Very high | 93.5 | Very high | 39 Ų | 39 | 75.1 Ų | 75.1 | 15% | 0.153 | 38% | 0.384 | C | S | . | . | trans | -139.3 | 164 | 176.7 | 54.3 | -90.2 | 0 | 0 | 0 | 111.2 | M33 S48 K81 | Y31-M33 HydrophobicContact CD2-CB 4.34Å; Y31-M33 HydrophobicContact CE2-CB 4.25Å; Y31-M33 HydrophobicContact CE2-CG 4.47Å; Y31-M33 HydrophobicContact CE2-SD 4Å; Y31-S48 PolarHBondContact N-OG 2.89Å; Y31-S48 WeakPolarHBondContact O-CB 3.17Å; Y31-S48 PolarHBondContact O-N 3.1Å; Y31-S48 PolarHBondContact O-OG 3.34Å; Y31-K81 HydrophobicContact CD1-CD 4.41Å; Y31-K81 HydrophobicContact CD2-CB 4.34Å; Y31-K81 HydrophobicContact CD2-CD 4Å; Y31-K81 HydrophobicContact CD2-CG 3.82Å; Y31-K81 HydrophobicContact CE1-CD 4.31Å; Y31-K81 HydrophobicContact CE2-CD 3.9Å; Y31-K81 HydrophobicContact CE2-CG 3.7Å; Y31-K81 HydrophobicContact CG-CD 4.27Å; Y31-K81 VanDerWaalsContact CZ-CE 3.47Å | ||
| 32 | F | 95.9 | Very high | 93.3 | Very high | 107 Ų | 107 | 74.6 Ų | 74.6 | 47% | 0.469 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 147.4 | 165.4 | -69.1 | -84.6 | 0 | 0 | 0 | 109.7 | V46 F47 K82 | F32-V46 WeakPolarHBondContact CA-O 3.46Å; F32-F47 HydrophobicContact CD1-CB 4.2Å; F32-F47 HydrophobicContact CD1-CD2 4.14Å; F32-F47 HydrophobicContact CE1-CB 3.99Å; F32-F47 AromaticContact CE1-CD2 3.84Å; F32-F47 HydrophobicContact CE1-CD2 3.84Å; F32-F47 HydrophobicContact CE1-CG 4.33Å; F32-F47 HydrophobicContact CE2-CD2 4.34Å; F32-F47 AromaticContact CZ-CD2 3.95Å; F32-F47 HydrophobicContact CZ-CD2 3.95Å; F32-K82 PolarHBondContact O-N 2.96Å |
| 33 | M | 95 | Very high | 93.2 | Very high | 7 Ų | 7 | 72.2 Ų | 72.2 | 3% | 0.034 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.8 | 178.8 | 53.8 | -170.2 | 168.8 | 0 | 0 | 110.2 | Y31 V35 V46 L73 F79 R80 | Y31-M33 HydrophobicContact CD2-CB 4.34Å; Y31-M33 HydrophobicContact CE2-CB 4.25Å; Y31-M33 HydrophobicContact CE2-CG 4.47Å; Y31-M33 HydrophobicContact CE2-SD 4Å; M33-V35 HydrophobicContact CG-CG2 4.02Å; M33-V35 PolarHBondContact O-N 3.39Å; M33-V35 HydrophobicContact SD-CG2 4.49Å; M33-V46 HydrophobicContact CE-CB 4.43Å; M33-V46 HydrophobicContact CE-CG1 3.81Å; M33-V46 HydrophobicContact CG-CB 4.27Å; M33-V46 WeakPolarHBondContact CG-O 3.36Å; M33-V46 PolarHBondContact N-O 3.47Å; M33-V46 PolarHBondContact O-N 3.47Å; M33-L73 HydrophobicContact CE-CD2 4.42Å; M33-F79 HydrophobicContact CB-CB 4.49Å; M33-F79 HydrophobicContact CB-CD2 4.14Å; M33-F79 HydrophobicContact SD-CB 4.32Å; M33-F79 HydrophobicContact SD-CD2 3.83Å; M33-F79 HydrophobicContact SD-CE2 4.46Å; M33-F79 HydrophobicContact SD-CG 4.19Å; M33-R80 CarbonylContact C-O 3.58Å; M33-R80 WeakPolarHBondContact CA-O 3.45Å; M33-R80 WeakPolarHBondContact CB-O 3.47Å |
| 34 | D | 94.5 | Very high | 93.2 | Very high | 37 Ų | 37 | 72.3 Ų | 72.3 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 111.3 | 169.4 | -73.3 | -30.9 | 0 | 0 | 0 | 107.7 | I43 T45 F79 R80 K82 | D34-I43 HydrophobicContact CB-CG2 3.63Å; D34-T45 WeakPolarHBondContact OD1-CG2 3.37Å; D34-F79 CarbonylContact O-C 3.56Å; D34-F79 VanDerWaalsContact O-CA 3.25Å; D34-F79 WeakPolarHBondContact O-CA 3.33Å; D34-R80 PolarHBondContact N-O 3.39Å; D34-R80 PolarHBondContact O-N 2.82Å; D34-K82 VanDerWaalsContact OD1-CD 3.3Å; D34-K82 WeakPolarHBondContact OD1-CD 3.4Å; D34-K82 WeakPolarHBondContact OD1-CE 3.34Å; D34-K82 IonicContact OD1-NZ 2.78Å; D34-K82 PolarHBondContact OD1-NZ 3.29Å; D34-K82 WeakPolarHBondContact OD2-CE 3.45Å; D34-K82 WeakPolarHBondContact OD2-CG 3.26Å; D34-K82 IonicContact OD2-NZ 3.37Å; D34-K82 PolarHBondContact OD2-NZ 3.24Å |
| 35 | V | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.3 | 178.4 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | M33 I43 T44 V46 L63 L73 C77 S78 F79 | M33-V35 HydrophobicContact CG-CG2 4.02Å; M33-V35 PolarHBondContact O-N 3.39Å; M33-V35 HydrophobicContact SD-CG2 4.49Å; V35-I43 WeakPolarHBondContact O-CA 3.48Å; V35-T44 PolarHBondContact N-O 2.88Å; V35-T44 PolarHBondContact O-N 3.44Å; V35-T44 PolarHBondContact O-OG1 2.95Å; V35-V46 HydrophobicContact CB-CG2 4.01Å; V35-V46 HydrophobicContact CG2-CB 3.73Å; V35-V46 HydrophobicContact CG2-CG1 4.4Å; V35-V46 HydrophobicContact CG2-CG2 3.67Å; V35-L63 HydrophobicContact CG1-CB 4.38Å; V35-L63 HydrophobicContact CG1-CD2 4.36Å; V35-L73 HydrophobicContact CG1-CD2 3.91Å; V35-L73 HydrophobicContact CG2-CD2 3.71Å; V35-C77 HydrophobicContact CG1-CB 4.01Å; V35-S78 CarbonylContact C-O 3.47Å; V35-S78 WeakPolarHBondContact CA-O 3.45Å; V35-F79 HydrophobicContact CG2-CB 4.12Å |
| 36 | K | 94.1 | Very high | 93.1 | Very high | 83 Ų | 83 | 67 Ų | 67 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.9 | 175.4 | 179.4 | 178.4 | 178.7 | -177 | 0 | 109.1 | I43 C77 S78 | K36-I43 HydrophobicContact CB-CG1 4.33Å; K36-I43 HydrophobicContact CG-CG1 4.47Å; K36-C77 WeakPolarHBondContact O-CA 3.38Å; K36-S78 WeakPolarHBondContact CB-OG 3.4Å; K36-S78 PolarHBondContact N-O 2.83Å; K36-S78 PolarHBondContact O-N 2.88Å |
| 37 | C | 93 | Very high | 93.1 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 135.1 | 176.2 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | M39 C40 Y41 K42 C56 C59 T61 L63 | C37-M39 VanDerWaalsContact C-N 3.31Å; C37-M39 PolarHBondContact O-N 3.18Å; C37-C40 VanDerWaalsContact SG-SG 3.67Å; C37-Y41 WeakPolarHBondContact O-CA 3.32Å; C37-Y41 PolarHBondContact O-N 2.9Å; C37-K42 PolarHBondContact N-O 3.03Å; C37-C56 HydrophobicContact CB-CB 4.47Å; C37-C59 PolarHBondContact SG-SG 2.9Å; C37-T61 PolarHBondContact SG-OG1 3.17Å; C37-T61 VanDerWaalsContact SG-OG1 3.37Å; C37-L63 HydrophobicContact CB-CD2 3.85Å |
| 38 | G | 89.2 | Confident | 93.2 | Very high | 36 Ų | 36 | 61.5 Ų | 61.5 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -27.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 39 | M | 88.7 | Confident | 93.3 | Very high | 149 Ų | 149 | 60.8 Ų | 60.8 | 73% | 0.734 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -51.1 | -174.8 | -61.1 | -57.6 | -68 | 0 | 0 | 113.2 | C37 T61 | C37-M39 VanDerWaalsContact C-N 3.31Å; C37-M39 PolarHBondContact O-N 3.18Å; M39-T61 HydrophobicContact CG-CG2 4.48Å |
| 40 | C | 89.3 | Confident | 93.4 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -0.2 | -172.5 | 66.5 | 0 | 0 | 0 | 0 | 114.3 | C37 K42 C56 C59 | C37-C40 VanDerWaalsContact SG-SG 3.67Å; C40-K42 PolarHBondContact O-N 3.18Å; C40-C56 PolarHBondContact SG-SG 3.32Å; C40-C59 HydrophobicContact CB-CB 4.17Å; C40-C59 PolarHBondContact SG-SG 3.39Å |
| 41 | Y | 89 | Confident | 93.3 | Very high | 159 Ų | 159 | 62.7 Ų | 62.7 | 62% | 0.624 | 31% | 0.309 | S | S | * | . | trans | 57.7 | 4.3 | -178.8 | -60.6 | -90.5 | 0 | 0 | 0 | 115.8 | C37 | C37-Y41 WeakPolarHBondContact O-CA 3.32Å; C37-Y41 PolarHBondContact O-N 2.9Å | ||
| 42 | K | 92.7 | Very high | 93.3 | Very high | 112 Ų | 112 | 65.5 Ų | 65.5 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | trans | -67.7 | 143.6 | 173.7 | -65.9 | -166.2 | -176.1 | -175.3 | 0 | 110.6 | C37 C40 | C37-K42 PolarHBondContact N-O 3.03Å; C40-K42 PolarHBondContact O-N 3.18Å | ||
| 43 | I | 92.8 | Very high | 93.2 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 57% | 0.569 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130 | 180 | -59.3 | 172.8 | 0 | 0 | 0 | 108.5 | D34 V35 K36 | D34-I43 HydrophobicContact CB-CG2 3.63Å; V35-I43 WeakPolarHBondContact O-CA 3.48Å; K36-I43 HydrophobicContact CB-CG1 4.33Å; K36-I43 HydrophobicContact CG-CG1 4.47Å |
| 44 | T | 93.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.7 | 175.5 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | V35 V46 V57 L63 | V35-T44 PolarHBondContact N-O 2.88Å; V35-T44 PolarHBondContact O-N 3.44Å; V35-T44 PolarHBondContact O-OG1 2.95Å; T44-V46 PolarHBondContact O-N 3.45Å; T44-V57 HydrophobicContact CG2-CG2 4.44Å; T44-L63 HydrophobicContact CG2-CD1 4.09Å; T44-L63 WeakPolarHBondContact OG1-CD1 3.33Å |
| 45 | T | 93.7 | Very high | 93.1 | Very high | 90 Ų | 90 | 67 Ų | 67 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 121.8 | 173.1 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | D34 K82 | D34-T45 WeakPolarHBondContact OD1-CG2 3.37Å; T45-K82 HydrophobicContact CG2-CD 4.1Å |
| 46 | V | 94 | Very high | 93 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 140.7 | -179.2 | 173 | 0 | 0 | 0 | 0 | 110 | F32 M33 V35 T44 I54 | F32-V46 WeakPolarHBondContact CA-O 3.46Å; M33-V46 HydrophobicContact CE-CB 4.43Å; M33-V46 HydrophobicContact CE-CG1 3.81Å; M33-V46 HydrophobicContact CG-CB 4.27Å; M33-V46 WeakPolarHBondContact CG-O 3.36Å; M33-V46 PolarHBondContact N-O 3.47Å; M33-V46 PolarHBondContact O-N 3.47Å; V35-V46 HydrophobicContact CB-CG2 4.01Å; V35-V46 HydrophobicContact CG2-CB 3.73Å; V35-V46 HydrophobicContact CG2-CG1 4.4Å; V35-V46 HydrophobicContact CG2-CG2 3.67Å; T44-V46 PolarHBondContact O-N 3.45Å; V46-I54 HydrophobicContact CB-CD1 4.18Å; V46-I54 HydrophobicContact CG1-CD1 3.5Å; V46-I54 HydrophobicContact CG2-CD1 4.07Å; V46-I54 HydrophobicContact CG2-CG2 4.06Å |
| 47 | F | 95.5 | Very high | 92.8 | Very high | 69 Ų | 69 | 69.1 Ų | 69.1 | 30% | 0.303 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136.2 | 171.2 | -176.1 | -120 | 0 | 0 | 0 | 111.5 | S30 F32 H49 A50 | S30-F47 VanDerWaalsContact CB-CZ 3.42Å; F32-F47 HydrophobicContact CD1-CB 4.2Å; F32-F47 HydrophobicContact CD1-CD2 4.14Å; F32-F47 HydrophobicContact CE1-CB 3.99Å; F32-F47 AromaticContact CE1-CD2 3.84Å; F32-F47 HydrophobicContact CE1-CD2 3.84Å; F32-F47 HydrophobicContact CE1-CG 4.33Å; F32-F47 HydrophobicContact CE2-CD2 4.34Å; F32-F47 AromaticContact CZ-CD2 3.95Å; F32-F47 HydrophobicContact CZ-CD2 3.95Å; F47-H49 VanDerWaalsContact C-N 3.25Å; F47-H49 HydrophobicContact CD1-CB 4.09Å; F47-H49 HydrophobicContact CE1-CB 3.61Å; F47-H49 HydrophobicContact CZ-CB 4.35Å; F47-H49 PolarHBondContact O-N 3.25Å; F47-A50 WeakPolarHBondContact O-CB 3.12Å; F47-A50 PolarHBondContact O-N 3.09Å |
| 48 | S | 95.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -34.4 | 179.7 | 51.2 | 0 | 0 | 0 | 0 | 115.1 | Y31 L70 A71 | Y31-S48 PolarHBondContact N-OG 2.89Å; Y31-S48 WeakPolarHBondContact O-CB 3.17Å; Y31-S48 PolarHBondContact O-N 3.1Å; Y31-S48 PolarHBondContact O-OG 3.34Å; S48-L70 WeakPolarHBondContact O-CA 3.45Å; S48-A71 PolarHBondContact O-N 3.02Å |
| 49 | H | 95.6 | Very high | 92.6 | Very high | 68 Ų | 68 | 71.2 Ų | 71.2 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 40.3 | -179.7 | -56.2 | 68.4 | 0 | 0 | 0 | 111.2 | F47 Q51 | F47-H49 VanDerWaalsContact C-N 3.25Å; F47-H49 HydrophobicContact CD1-CB 4.09Å; F47-H49 HydrophobicContact CE1-CB 3.61Å; F47-H49 HydrophobicContact CZ-CB 4.35Å; F47-H49 PolarHBondContact O-N 3.25Å; H49-Q51 PolarHBondContact O-N 3.05Å |
| 50 | A | 94.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 5% | 0.05 | 38% | 0.379 | C | S | . | . | trans | -54.4 | 125.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F47 I54 A71 | F47-A50 WeakPolarHBondContact O-CB 3.12Å; F47-A50 PolarHBondContact O-N 3.09Å; A50-I54 HydrophobicContact CB-CD1 3.57Å; A50-I54 HydrophobicContact CB-CG1 4.36Å; A50-A71 HydrophobicContact CB-CB 4.13Å | ||
| 51 | Q | 94.4 | Very high | 92.8 | Very high | 178 Ų | 178 | 69 Ų | 69 | 83% | 0.832 | 38% | 0.379 | S | S | * | . | trans | -87.9 | -16.7 | 177.6 | -67.4 | 179.1 | -23.3 | 0 | 0 | 112.8 | H49 P66 | H49-Q51 PolarHBondContact O-N 3.05Å; Q51-P66 WeakPolarHBondContact O-CB 3.19Å | ||
| 52 | T | 94.3 | Very high | 93 | Very high | 98 Ų | 98 | 63.8 Ų | 63.8 | 60% | 0.601 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -104.5 | 157.5 | 178.9 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | I54 | T52-I54 PolarHBondContact O-N 3.13Š|
| 53 | V | 94.3 | Very high | 93 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 47% | 0.473 | 34% | 0.341 | S | S | . | . | trans | -71.2 | 121.3 | 168.4 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | V62 | V53-V62 HydrophobicContact CG1-CB 4.32Å; V53-V62 HydrophobicContact CG1-CG1 3.56Å; V53-V62 HydrophobicContact CG1-CG2 3.88Å | ||
| 54 | I | 93.2 | Very high | 93 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.185 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.9 | 179.4 | -60.3 | 172.2 | 0 | 0 | 0 | 109 | V46 A50 T52 L63 C64 | V46-I54 HydrophobicContact CB-CD1 4.18Å; V46-I54 HydrophobicContact CG1-CD1 3.5Å; V46-I54 HydrophobicContact CG2-CD1 4.07Å; V46-I54 HydrophobicContact CG2-CG2 4.06Å; A50-I54 HydrophobicContact CB-CD1 3.57Å; A50-I54 HydrophobicContact CB-CG1 4.36Å; T52-I54 PolarHBondContact O-N 3.13Å; I54-L63 HydrophobicContact CG2-CD1 4.48Å; I54-L63 PolarHBondContact O-N 3.06Å; I54-C64 PolarHBondContact N-O 3.27Å |
| 55 | V | 93.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 59 Ų | 59 | 42% | 0.418 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.1 | -175.7 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | S60 | V55-S60 VanDerWaalsContact CG1-CA 3.44Å; V55-S60 WeakPolarHBondContact CG1-O 3.41Å |
| 56 | C | 92.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | trans | -70.5 | 131.3 | 174.4 | -172 | 0 | 0 | 0 | 0 | 111 | C37 C40 G58 S60 T61 L63 | C37-C56 HydrophobicContact CB-CB 4.47Å; C40-C56 PolarHBondContact SG-SG 3.32Å; C56-G58 PolarHBondContact O-N 3.2Å; C56-S60 WeakPolarHBondContact O-CA 3.43Å; C56-S60 PolarHBondContact O-N 3.38Å; C56-T61 PolarHBondContact N-O 2.83Å; C56-L63 HydrophobicContact CB-CD1 4.02Å; C56-L63 HydrophobicContact CB-CD2 4.02Å; C56-L63 HydrophobicContact CB-CG 3.97Å | ||
| 57 | V | 89.5 | Confident | 93.2 | Very high | 126 Ų | 126 | 64.5 Ų | 64.5 | 76% | 0.764 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.6 | 179.6 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | T44 | T44-V57 HydrophobicContact CG2-CG2 4.44Š|
| 58 | G | 88.6 | Confident | 93.2 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -50 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | C56 | C56-G58 PolarHBondContact O-N 3.2Š|
| 59 | C | 89.4 | Confident | 93.1 | Very high | 44 Ų | 44 | 67.3 Ų | 67.3 | 30% | 0.297 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 6.2 | -169.8 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | C37 C40 T61 | C37-C59 PolarHBondContact SG-SG 2.9Å; C40-C59 HydrophobicContact CB-CB 4.17Å; C40-C59 PolarHBondContact SG-SG 3.39Å; C59-T61 HydrophobicContact CB-CG2 4.12Å; C59-T61 PolarHBondContact O-N 3.26Å; C59-T61 PolarHBondContact SG-OG1 3.4Å |
| 60 | S | 90.4 | Very high | 93.1 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 67% | 0.671 | 41% | 0.408 | S | S | * | . | trans | 55.8 | 16.3 | -178.6 | -56.9 | 0 | 0 | 0 | 0 | 114.8 | V55 C56 | V55-S60 VanDerWaalsContact CG1-CA 3.44Å; V55-S60 WeakPolarHBondContact CG1-O 3.41Å; C56-S60 WeakPolarHBondContact O-CA 3.43Å; C56-S60 PolarHBondContact O-N 3.38Å | ||
| 61 | T | 91.3 | Very high | 93.1 | Very high | 46 Ų | 46 | 68.9 Ų | 68.9 | 28% | 0.282 | 41% | 0.411 | S | S | . | . | trans | -76.7 | 141.3 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | C37 M39 C56 C59 L63 | C37-T61 PolarHBondContact SG-OG1 3.17Å; C37-T61 VanDerWaalsContact SG-OG1 3.37Å; M39-T61 HydrophobicContact CG-CG2 4.48Å; C56-T61 PolarHBondContact N-O 2.83Å; C59-T61 HydrophobicContact CB-CG2 4.12Å; C59-T61 PolarHBondContact O-N 3.26Å; C59-T61 PolarHBondContact SG-OG1 3.4Å; T61-L63 PolarHBondContact O-N 3.49Å | ||
| 62 | V | 92.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 64.6 Ų | 64.6 | 30% | 0.303 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 122.3 | 173.6 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | V53 R65 T74 | V53-V62 HydrophobicContact CG1-CB 4.32Å; V53-V62 HydrophobicContact CG1-CG1 3.56Å; V53-V62 HydrophobicContact CG1-CG2 3.88Å; V62-R65 HydrophobicContact CG1-CG 4.16Å; V62-T74 WeakPolarHBondContact O-CB 3.49Å; V62-T74 PolarHBondContact O-OG1 3.17Å |
| 63 | L | 93.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -38.1 | 178.4 | -65.2 | 177.1 | 0 | 0 | 0 | 112.5 | V35 C37 T44 I54 C56 T61 L73 T74 | V35-L63 HydrophobicContact CG1-CB 4.38Å; V35-L63 HydrophobicContact CG1-CD2 4.36Å; C37-L63 HydrophobicContact CB-CD2 3.85Å; T44-L63 HydrophobicContact CG2-CD1 4.09Å; T44-L63 WeakPolarHBondContact OG1-CD1 3.33Å; I54-L63 HydrophobicContact CG2-CD1 4.48Å; I54-L63 PolarHBondContact O-N 3.06Å; C56-L63 HydrophobicContact CB-CD1 4.02Å; C56-L63 HydrophobicContact CB-CD2 4.02Å; C56-L63 HydrophobicContact CB-CG 3.97Å; T61-L63 PolarHBondContact O-N 3.49Å; L63-L73 WeakPolarHBondContact O-CA 3.2Å; L63-T74 PolarHBondContact O-N 3.16Å; L63-T74 PolarHBondContact O-OG1 3.16Å |
| 64 | C | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 151.9 | 174.3 | 69.2 | 0 | 0 | 0 | 0 | 112.8 | I54 A71 K72 L73 | I54-C64 PolarHBondContact N-O 3.27Å; C64-A71 HydrophobicContact CB-CB 4.28Å; C64-K72 CarbonylContact C-O 3.45Å; C64-K72 WeakPolarHBondContact CA-O 3.11Å; C64-K72 WeakPolarHBondContact CB-O 3.37Å; C64-L73 HydrophobicContact CB-CD2 4.12Å |
| 65 | R | 94 | Very high | 92.9 | Very high | 144 Ų | 144 | 66.9 Ų | 66.9 | 54% | 0.543 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 141.5 | 171.9 | -66.4 | -177.2 | 173.2 | 112.6 | -7.9 | 110.3 | V62 K72 | V62-R65 HydrophobicContact CG1-CG 4.16Å; R65-K72 PolarHBondContact N-O 3.09Å; R65-K72 PolarHBondContact O-N 3.05Å |
| 66 | P | 96 | Very high | 92.7 | Very high | 56 Ų | 56 | 66.8 Ų | 66.8 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | trans | -67.4 | 149.4 | 179.5 | 29 | -35.2 | 0 | 0 | 0 | 111.9 | Q51 | Q51-P66 WeakPolarHBondContact O-CB 3.19Š| ||
| 67 | R | 95.1 | Very high | 92.7 | Very high | 150 Ų | 150 | 68 Ų | 68 | 57% | 0.566 | 41% | 0.413 | S | S | * | . | trans | -139.8 | 169 | 171.6 | -73.6 | -175.3 | 164.6 | 177.5 | -4.5 | 108.1 | G69 L70 K72 | R67-G69 PolarHBondContact O-N 3.38Å; R67-G69 VanDerWaalsContact O-N 3.16Å; R67-L70 WeakPolarHBondContact CB-O 3.46Å; R67-K72 HydrophobicContact CG-CB 4.33Å | ||
| 68 | G | 94.7 | Very high | 92.8 | Very high | 98 Ų | 98 | 65.1 Ų | 65.1 | 100% | 1.01 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -64.8 | -13.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 69 | G | 94.2 | Very high | 93.1 | Very high | 32 Ų | 32 | 68.1 Ų | 68.1 | 33% | 0.33 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -129.9 | -123.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R67 A71 | R67-G69 PolarHBondContact O-N 3.38Å; R67-G69 VanDerWaalsContact O-N 3.16Å; G69-A71 PolarHBondContact O-N 3.42Å |
| 70 | L | 95 | Very high | 93.3 | Very high | 93 Ų | 93 | 75.4 Ų | 75.4 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -63.4 | 132.9 | 174.4 | -67.5 | 170.9 | 0 | 0 | 0 | 110.9 | S48 R67 | S48-L70 WeakPolarHBondContact O-CA 3.45Å; R67-L70 WeakPolarHBondContact CB-O 3.46Å |
| 71 | A | 95.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 76.5 Ų | 76.5 | 11% | 0.107 | 42% | 0.415 | C | S | . | . | trans | -61.7 | 142.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S48 A50 C64 G69 L73 | S48-A71 PolarHBondContact O-N 3.02Å; A50-A71 HydrophobicContact CB-CB 4.13Å; C64-A71 HydrophobicContact CB-CB 4.28Å; G69-A71 PolarHBondContact O-N 3.42Å; A71-L73 PolarHBondContact O-N 2.94Å | ||
| 72 | K | 95 | Very high | 93.6 | Very high | 89 Ų | 89 | 78.5 Ų | 78.5 | 39% | 0.387 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 114.2 | 177.1 | -167.9 | -170.8 | -176.8 | -178.8 | 0 | 109 | C64 R65 R67 | C64-K72 CarbonylContact C-O 3.45Å; C64-K72 WeakPolarHBondContact CA-O 3.11Å; C64-K72 WeakPolarHBondContact CB-O 3.37Å; R65-K72 PolarHBondContact N-O 3.09Å; R65-K72 PolarHBondContact O-N 3.05Å; R67-K72 HydrophobicContact CG-CB 4.33Å |
| 73 | L | 94 | Very high | 93.2 | Very high | 40 Ų | 40 | 85.3 Ų | 85.3 | 21% | 0.209 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 147.3 | 170 | -69.1 | 168.6 | 0 | 0 | 0 | 110.7 | M33 V35 L63 C64 A71 F79 | M33-L73 HydrophobicContact CE-CD2 4.42Å; V35-L73 HydrophobicContact CG1-CD2 3.91Å; V35-L73 HydrophobicContact CG2-CD2 3.71Å; L63-L73 WeakPolarHBondContact O-CA 3.2Å; C64-L73 HydrophobicContact CB-CD2 4.12Å; A71-L73 PolarHBondContact O-N 2.94Å; L73-F79 HydrophobicContact CD1-CB 3.95Å; L73-F79 HydrophobicContact CD1-CD1 3.38Å; L73-F79 HydrophobicContact CD1-CE1 4.08Å; L73-F79 HydrophobicContact CD1-CG 3.8Å |
| 74 | T | 92.3 | Very high | 92.1 | Very high | 44 Ų | 44 | 95.7 Ų | 95.7 | 27% | 0.27 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 143.5 | 172.1 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | V62 L63 C77 | V62-T74 WeakPolarHBondContact O-CB 3.49Å; V62-T74 PolarHBondContact O-OG1 3.17Å; L63-T74 PolarHBondContact O-N 3.16Å; L63-T74 PolarHBondContact O-OG1 3.16Å; T74-C77 WeakPolarHBondContact O-CB 3.47Å; T74-C77 PolarHBondContact O-N 3.45Å; T74-C77 VanDerWaalsContact O-N 3.14Å |
| 75 | E | 90.5 | Very high | 92 | Very high | 176 Ų | 176 | 100.5 Ų | 100.5 | 82% | 0.822 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 139.3 | 176.7 | -68.7 | 168.6 | -165.5 | 0 | 0 | 110.7 | C77 | E75-C77 VanDerWaalsContact C-N 3.29Å; E75-C77 PolarHBondContact O-N 3.36Å |
| 76 | G | 89.1 | Confident | 91.9 | Very high | 66 Ų | 66 | 98.2 Ų | 98.2 | 68% | 0.68 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -6.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 77 | C | 91.6 | Very high | 91.7 | Very high | 27 Ų | 27 | 100.5 Ų | 100.5 | 18% | 0.182 | 52% | 0.52 | C | S | . | . | trans | -81.3 | 134 | 170 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | V35 K36 T74 E75 | V35-C77 HydrophobicContact CG1-CB 4.01Å; K36-C77 WeakPolarHBondContact O-CA 3.38Å; T74-C77 WeakPolarHBondContact O-CB 3.47Å; T74-C77 PolarHBondContact O-N 3.45Å; T74-C77 VanDerWaalsContact O-N 3.14Å; E75-C77 VanDerWaalsContact C-N 3.29Å; E75-C77 PolarHBondContact O-N 3.36Å | ||
| 78 | S | 92.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 97.6 Ų | 97.6 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 150.7 | 171.3 | 46.5 | 0 | 0 | 0 | 0 | 109.8 | V35 K36 | V35-S78 CarbonylContact C-O 3.47Å; V35-S78 WeakPolarHBondContact CA-O 3.45Å; K36-S78 WeakPolarHBondContact CB-OG 3.4Å; K36-S78 PolarHBondContact N-O 2.83Å; K36-S78 PolarHBondContact O-N 2.88Å |
| 79 | F | 93.9 | Very high | 91.3 | Very high | 102 Ų | 102 | 97.6 Ų | 97.6 | 45% | 0.447 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.2 | 178.4 | 77.4 | -82.8 | 0 | 0 | 0 | 111.8 | M33 D34 V35 L73 K81 | M33-F79 HydrophobicContact CB-CB 4.49Å; M33-F79 HydrophobicContact CB-CD2 4.14Å; M33-F79 HydrophobicContact SD-CB 4.32Å; M33-F79 HydrophobicContact SD-CD2 3.83Å; M33-F79 HydrophobicContact SD-CE2 4.46Å; M33-F79 HydrophobicContact SD-CG 4.19Å; D34-F79 CarbonylContact O-C 3.56Å; D34-F79 VanDerWaalsContact O-CA 3.25Å; D34-F79 WeakPolarHBondContact O-CA 3.33Å; V35-F79 HydrophobicContact CG2-CB 4.12Å; L73-F79 HydrophobicContact CD1-CB 3.95Å; L73-F79 HydrophobicContact CD1-CD1 3.38Å; L73-F79 HydrophobicContact CD1-CE1 4.08Å; L73-F79 HydrophobicContact CD1-CG 3.8Å; F79-K81 HydrophobicContact CE2-CG 4.33Å |
| 80 | R | 94.9 | Very high | 91.1 | Very high | 196 Ų | 196 | 101.9 Ų | 101.9 | 74% | 0.74 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.5 | 169 | 179.1 | -179.9 | 173.2 | 180 | -0.9 | 108.5 | M33 D34 K82 | M33-R80 CarbonylContact C-O 3.58Å; M33-R80 WeakPolarHBondContact CA-O 3.45Å; M33-R80 WeakPolarHBondContact CB-O 3.47Å; D34-R80 PolarHBondContact N-O 3.39Å; D34-R80 PolarHBondContact O-N 2.82Å; R80-K82 PolarHBondContact O-N 2.76Å |
| 81 | K | 95 | Very high | 90.8 | Very high | 120 Ų | 120 | 102.6 Ų | 102.6 | 52% | 0.522 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 130 | 172 | -62.5 | -169.9 | -176 | -177.7 | 0 | 109.2 | Y31 F79 | Y31-K81 HydrophobicContact CD1-CD 4.41Å; Y31-K81 HydrophobicContact CD2-CB 4.34Å; Y31-K81 HydrophobicContact CD2-CD 4Å; Y31-K81 HydrophobicContact CD2-CG 3.82Å; Y31-K81 HydrophobicContact CE1-CD 4.31Å; Y31-K81 HydrophobicContact CE2-CD 3.9Å; Y31-K81 HydrophobicContact CE2-CG 3.7Å; Y31-K81 HydrophobicContact CG-CD 4.27Å; Y31-K81 VanDerWaalsContact CZ-CE 3.47Å; F79-K81 HydrophobicContact CE2-CG 4.33Å |
| 82 | K | 93.2 | Very high | 90.4 | Very high | 87 Ų | 87 | 109.5 Ų | 109.5 | 38% | 0.378 | 53% | 0.527 | S | S | . | . | trans | -76.5 | 131.4 | 169.7 | -76.2 | -171.4 | 125.1 | 141.3 | 0 | 108.9 | F32 D34 T45 R80 | F32-K82 PolarHBondContact O-N 2.96Å; D34-K82 VanDerWaalsContact OD1-CD 3.3Å; D34-K82 WeakPolarHBondContact OD1-CD 3.4Å; D34-K82 WeakPolarHBondContact OD1-CE 3.34Å; D34-K82 IonicContact OD1-NZ 2.78Å; D34-K82 PolarHBondContact OD1-NZ 3.29Å; D34-K82 WeakPolarHBondContact OD2-CE 3.45Å; D34-K82 WeakPolarHBondContact OD2-CG 3.26Å; D34-K82 IonicContact OD2-NZ 3.37Å; D34-K82 PolarHBondContact OD2-NZ 3.24Å; T45-K82 HydrophobicContact CG2-CD 4.1Å; R80-K82 PolarHBondContact O-N 2.76Å | ||
| 83 | Q | 83.6 | Confident | 90 | Very high | 194 Ų | 194 | 111.2 Ų | 111.2 | 91% | 0.907 | 54% | 0.539 | S | S | * | . | trans | -85.8 | 113.7 | 168.4 | -167.3 | 165.6 | 4.2 | 0 | 0 | 106.1 | ||||
| 84 | Y | 69.5 | Low | 89.7 | Confident | 217 Ų | 217 | 117.6 Ų | 117.6 | 85% | 0.851 | 57% | 0.569 | S | S | * | * | trans | -81.6 | 0 | 164.8 | 32.9 | -105.8 | 0 | 0 | 0 | 109.3 | S30 | S30-Y84 PolarHBondContact O-OH 3.47Š|
Retrieved 84 of 84 residues in 29.1 ms
(Link to these results)