| 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 | 41.1 | Very low | 44.6 | Very low | 242 Ų | 242 | 130.7 Ų | 130.7 | 100% | 1.192 | 73% | 0.729 | S | S | * | * | 0 | 103.6 | 0 | -55.1 | 172.3 | -159.7 | 0 | 0 | 105.8 | G3 | M1-G3 PolarHBondContact O-N 2.72Š| |||
| 2 | T | 38.7 | Very low | 47 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 85% | 0.853 | 68% | 0.683 | S | S | * | * | trans | -87.2 | 86.9 | -166.5 | -41.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | G | 40.1 | Very low | 48.7 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | trans | -99.9 | 85 | 166 | 0 | 0 | 0 | 0 | 0 | 108.5 | M1 V5 | M1-G3 PolarHBondContact O-N 2.72Å; G3-V5 PolarHBondContact O-N 2.63Å | ||
| 4 | Q | 41.9 | Very low | 50.5 | Low | 164 Ų | 164 | 108.6 Ų | 108.6 | 77% | 0.766 | 61% | 0.609 | S | S | * | * | trans | -68.6 | 92.2 | 162.9 | -78.4 | -178.4 | -29.1 | 0 | 0 | 106.3 | R6 | Q4-R6 PolarHBondContact O-N 2.96Š| ||
| 5 | V | 40 | Very low | 52.7 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 76% | 0.758 | 58% | 0.58 | S | S | * | * | trans | -58.6 | 94.8 | 153.8 | 179.6 | 0 | 0 | 0 | 0 | 104.1 | G3 C7 | G3-V5 PolarHBondContact O-N 2.63Å; V5-C7 PolarHBondContact O-N 3.01Å | ||
| 6 | R | 36.8 | Very low | 54.8 | Low | 222 Ų | 222 | 98.9 Ų | 98.9 | 84% | 0.838 | 56% | 0.556 | S | S | * | * | trans | -64.5 | 95.6 | 161.2 | -76.9 | -176.1 | 151 | -155.2 | -7.4 | 103.5 | Q4 A8 | Q4-R6 PolarHBondContact O-N 2.96Å; R6-A8 PolarHBondContact O-N 3.36Å | ||
| 7 | C | 40.9 | Very low | 56.5 | Low | 89 Ų | 89 | 95.4 Ų | 95.4 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | trans | -47.8 | 115.3 | 161.6 | -60.8 | 0 | 0 | 0 | 0 | 104.4 | V5 P9 | V5-C7 PolarHBondContact O-N 3.01Å; C7-P9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | A | 50.2 | Low | 57.8 | Low | 78 Ų | 78 | 97.2 Ų | 97.2 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | trans | -48.8 | 129.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | R6 F10 | R6-A8 PolarHBondContact O-N 3.36Å; A8-F10 PolarHBondContact O-N 2.7Å | ||
| 9 | P | 49.4 | Very low | 58.8 | Low | 108 Ų | 108 | 95.4 Ų | 95.4 | 70% | 0.701 | 54% | 0.539 | S | S | * | . | trans | -49.4 | 122.5 | -175.7 | 20.1 | -31.6 | 0 | 0 | 0 | 107.3 | C7 V11 | C7-P9 VanDerWaalsContact O-N 3.16Å; P9-V11 WeakPolarHBondContact O-CG2 3.4Å; P9-V11 PolarHBondContact O-N 2.63Å | ||
| 10 | F | 47.8 | Very low | 59.8 | Low | 152 Ų | 152 | 96 Ų | 96 | 67% | 0.667 | 56% | 0.556 | S | S | * | * | trans | -48.9 | 107.1 | -176.2 | -86.6 | -92 | 0 | 0 | 0 | 108.3 | A8 | A8-F10 PolarHBondContact O-N 2.7Š| ||
| 11 | V | 64 | Low | 60.8 | Low | 54 Ų | 54 | 97 Ų | 97 | 33% | 0.327 | 56% | 0.556 | S | S | . | * | trans | -85.3 | 120.2 | -178.4 | 176 | 0 | 0 | 0 | 0 | 105.2 | P9 A13 L70 | P9-V11 WeakPolarHBondContact O-CG2 3.4Å; P9-V11 PolarHBondContact O-N 2.63Å; V11-A13 PolarHBondContact O-N 3.26Å; V11-L70 WeakPolarHBondContact O-CD1 3.43Å | ||
| 12 | K | 73.1 | Confident | 62.8 | Low | 42 Ų | 42 | 90.5 Ų | 90.5 | 18% | 0.183 | 53% | 0.532 | C | S | . | . | trans | -53.3 | 144.7 | 177.5 | -69.7 | 176.8 | -176.2 | 171.6 | 0 | 110.3 | G14 D34 C37 D39 K41 K42 | K12-G14 PolarHBondContact O-N 3.18Å; K12-D34 HydrophobicContact CB-CB 4.41Å; K12-D34 HydrophobicContact CD-CB 4.14Å; K12-D34 VanDerWaalsContact CE-O 3.28Å; K12-D34 WeakPolarHBondContact CE-O 3.43Å; K12-D34 HydrophobicContact CG-CB 4.13Å; K12-D34 PolarHBondContact N-OD2 3.15Å; K12-D34 PolarHBondContact NZ-O 3.44Å; K12-C37 PolarHBondContact NZ-O 2.78Å; K12-D39 WeakPolarHBondContact CD-O 3.23Å; K12-D39 VanDerWaalsContact CE-O 3.23Å; K12-D39 WeakPolarHBondContact CE-O 3.43Å; K12-D39 PolarHBondContact NZ-O 3.36Å; K12-K41 WeakPolarHBondContact CD-O 3.16Å; K12-K41 PolarHBondContact NZ-O 3.16Å; K12-K42 HydrophobicContact CB-CG 4.27Å; K12-K42 PolarHBondContact O-NZ 3.24Å | ||
| 13 | A | 69.8 | Low | 64.9 | Low | 40 Ų | 40 | 88.3 Ų | 88.3 | 33% | 0.331 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -45.2 | 138.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | V11 P55 D69 | V11-A13 PolarHBondContact O-N 3.26Å; A13-P55 VanDerWaalsContact O-CG 3.31Å; A13-P55 WeakPolarHBondContact O-CG 3.4Å; A13-D69 WeakPolarHBondContact CA-O 3.28Å; A13-D69 WeakPolarHBondContact CB-O 3.13Å |
| 14 | G | 73.5 | Confident | 67.2 | Low | 0 Ų | 0 | 89.7 Ų | 89.7 | 0% | 0 | 51% | 0.512 | C | S | . | . | S | Bend | trans | 87.8 | 174.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | K12 K42 T71 | K12-G14 PolarHBondContact O-N 3.18Å; G14-K42 WeakPolarHBondContact O-CD 3.36Å; G14-K42 WeakPolarHBondContact O-CE 3.39Å; G14-K42 PolarHBondContact O-NZ 2.62Å; G14-K42 VanDerWaalsContact O-NZ 3.12Å; G14-T71 VanDerWaalsContact C-CG2 3.47Å; G14-T71 WeakPolarHBondContact O-CG2 2.97Å |
| 15 | L | 83 | Confident | 69.2 | Low | 31 Ų | 31 | 88 Ų | 88 | 16% | 0.162 | 52% | 0.515 | C | S | . | . | trans | -104.5 | 149.6 | -171.1 | -70.1 | 165.1 | 0 | 0 | 0 | 112 | P55 D56 R59 T71 D87 V88 | L15-P55 CarbonylContact O-C 3.57Å; L15-P55 VanDerWaalsContact O-CA 3.27Å; L15-P55 WeakPolarHBondContact O-CA 3.02Å; L15-D56 PolarHBondContact O-N 2.94Å; L15-R59 HydrophobicContact CB-CB 3.98Å; L15-R59 HydrophobicContact CD1-CB 4Å; L15-T71 HydrophobicContact CD2-CG2 3.6Å; L15-T71 HydrophobicContact CG-CG2 3.85Å; L15-D87 HydrophobicContact CD1-CB 4.25Å; L15-V88 HydrophobicContact CD1-CG1 3.92Å; L15-V88 HydrophobicContact CG-CG1 4.15Å | ||
| 16 | C | 86.7 | Confident | 71.4 | Confident | 31 Ų | 31 | 89.1 Ų | 89.1 | 21% | 0.209 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 144.2 | 171.8 | -75.2 | 0 | 0 | 0 | 0 | 111.1 | L18 C44 | C16-L18 PolarHBondContact O-N 3.12Å; C16-C44 WeakPolarHBondContact CA-SG 3.27Å; C16-C44 HydrophobicContact CB-CB 3.65Å; C16-C44 WeakPolarHBondContact CB-SG 3.46Å; C16-C44 WeakPolarHBondContact SG-CA 3.31Å; C16-C44 WeakPolarHBondContact SG-CB 3.28Å; C16-C44 CovalentContact SG-SG 2.03Å; C16-C44 PolarHBondContact SG-SG 3Å |
| 17 | P | 84.4 | Confident | 73.7 | Confident | 39 Ų | 39 | 80 Ų | 80 | 25% | 0.253 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 137.4 | 164.5 | -22.7 | 33.1 | 0 | 0 | 0 | 110 | L53 L54 D56 | P17-L53 HydrophobicContact CG-CB 4.47Å; P17-L53 HydrophobicContact CG-CD1 4.34Å; P17-L54 WeakPolarHBondContact CD-O 3.19Å; P17-L54 WeakPolarHBondContact CG-O 3.36Å; P17-D56 HydrophobicContact CG-CB 4.45Å |
| 18 | L | 79.1 | Confident | 76 | Confident | 128 Ų | 128 | 81.6 Ų | 81.6 | 67% | 0.67 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 130.1 | 175.2 | -71.1 | 177.8 | 0 | 0 | 0 | 109.5 | C16 A20 | C16-L18 PolarHBondContact O-N 3.12Å; L18-A20 PolarHBondContact O-N 3.23Å |
| 19 | P | 77.7 | Confident | 78.1 | Confident | 63 Ų | 63 | 80.6 Ų | 80.6 | 41% | 0.409 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 132.3 | 175.5 | 28.4 | -33.2 | 0 | 0 | 0 | 109.5 | Q21 | P19-Q21 PolarHBondContact O-N 3.2Š|
| 20 | A | 77.1 | Confident | 80.2 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 89% | 0.893 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -63.9 | -21.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L18 | L18-A20 PolarHBondContact O-N 3.23Š|
| 21 | Q | 81.7 | Confident | 82.4 | Confident | 117 Ų | 117 | 78 Ų | 78 | 55% | 0.547 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -144.3 | 154 | -175.6 | -69.3 | -179.1 | -13 | 0 | 0 | 110.8 | P19 L47 | P19-Q21 PolarHBondContact O-N 3.2Å; Q21-L47 HydrophobicContact CB-CD1 3.9Å |
| 22 | P | 83.3 | Confident | 83.7 | Confident | 106 Ų | 106 | 81.5 Ų | 81.5 | 69% | 0.688 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 150.1 | 172.2 | -21.3 | 32.6 | 0 | 0 | 0 | 112 | L47 | P22-L47 WeakPolarHBondContact O-CD1 2.98Š|
| 23 | P | 83.3 | Confident | 84.4 | Confident | 93 Ų | 93 | 83 Ų | 83 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 140.3 | -179.9 | 26.3 | -33.6 | 0 | 0 | 0 | 112.2 | ||
| 24 | L | 86.7 | Confident | 85.2 | Confident | 94 Ų | 94 | 82 Ų | 82 | 49% | 0.492 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 144.7 | 170.9 | -67.8 | 172.9 | 0 | 0 | 0 | 110.4 | N26 G27 L47 I48 | L24-N26 PolarHBondContact O-N 2.78Å; L24-N26 VanDerWaalsContact O-N 3.15Å; L24-G27 PolarHBondContact O-N 3.22Å; L24-G27 VanDerWaalsContact O-N 3.1Å; L24-L47 WeakPolarHBondContact CB-O 3.44Å; L24-L47 HydrophobicContact CD1-CD1 4.34Å; L24-L47 HydrophobicContact CD1-CG 4.1Å; L24-L47 HydrophobicContact CD2-CD1 4.31Å; L24-L47 HydrophobicContact CG-CD1 3.75Å; L24-L47 HydrophobicContact CG-CG 4.02Å; L24-L47 PolarHBondContact N-O 3.47Å; L24-I48 HydrophobicContact CD1-CG2 4.11Å |
| 25 | P | 84.2 | Confident | 85.9 | Confident | 128 Ų | 128 | 88.6 Ų | 88.6 | 83% | 0.831 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.2 | -176.5 | 21 | -31.7 | 0 | 0 | 0 | 113.8 | ||
| 26 | N | 86.6 | Confident | 86.3 | Confident | 149 Ų | 149 | 90.9 Ų | 90.9 | 80% | 0.797 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 27.1 | -179.6 | -62.4 | -3.1 | 0 | 0 | 0 | 112.6 | L24 I28 | L24-N26 PolarHBondContact O-N 2.78Å; L24-N26 VanDerWaalsContact O-N 3.15Å; N26-I28 PolarHBondContact O-N 2.03Å |
| 27 | G | 86 | Confident | 86.5 | Confident | 29 Ų | 29 | 89.7 Ų | 89.7 | 30% | 0.299 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 131.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L24 | L24-G27 PolarHBondContact O-N 3.22Å; L24-G27 VanDerWaalsContact O-N 3.1Å |
| 28 | I | 88.9 | Confident | 86.8 | Confident | 123 Ų | 123 | 93.6 Ų | 93.6 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -98.3 | 119.8 | 176.1 | -60.2 | 171.4 | 0 | 0 | 0 | 108.2 | N26 I48 R51 | N26-I28 PolarHBondContact O-N 2.03Å; I28-I48 PolarHBondContact N-O 2.73Å; I28-R51 VanDerWaalsContact O-CZ 3.3Å; I28-R51 PolarHBondContact O-NH2 2.86Å |
| 29 | S | 93.4 | Very high | 87.1 | Confident | 58 Ų | 58 | 93.5 Ų | 93.5 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 132.9 | 174.7 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | R50 | S29-R50 PolarHBondContact OG-N 2.83Å; S29-R50 VanDerWaalsContact OG-N 3.12Å |
| 30 | R | 93.5 | Very high | 87.3 | Confident | 203 Ų | 203 | 93.3 Ų | 93.3 | 77% | 0.766 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -100.2 | -0.2 | 172.4 | -86.7 | -170.8 | -158.1 | 132.4 | 3.2 | 113.9 | R50 | R30-R50 PolarHBondContact N-O 3.25Š|
| 31 | C | 94.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 91.1 Ų | 91.1 | 1% | 0.014 | 50% | 0.497 | C | S | . | . | trans | -150.2 | 157.3 | 174.3 | 60.2 | 0 | 0 | 0 | 0 | 107.5 | D36 C43 | C31-D36 HydrophobicContact CB-CB 3.76Å; C31-C43 HydrophobicContact CB-CB 3.69Å; C31-C43 WeakPolarHBondContact CB-SG 2.98Å; C31-C43 PolarHBondContact O-SG 2.92Å; C31-C43 WeakPolarHBondContact SG-CA 3.41Å; C31-C43 WeakPolarHBondContact SG-CB 3.39Å; C31-C43 CovalentContact SG-SG 2.03Å; C31-C43 PolarHBondContact SG-SG 2.85Å | ||
| 32 | N | 90.9 | Very high | 88.3 | Confident | 128 Ų | 128 | 86 Ų | 86 | 68% | 0.684 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -112.3 | -35.9 | 174.5 | -61 | -68.2 | 0 | 0 | 0 | 111.1 | D36 | N32-D36 WeakPolarHBondContact CA-OD2 3.27Å; N32-D36 WeakPolarHBondContact CB-OD2 2.99Å; N32-D36 PolarHBondContact N-OD2 3.42Å |
| 33 | N | 88.1 | Confident | 88.7 | Confident | 74 Ų | 74 | 81 Ų | 81 | 40% | 0.396 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -142.1 | 170.7 | -179 | 59.7 | 73.5 | 0 | 0 | 0 | 110.8 | E35 D36 C43 | N33-E35 PolarHBondContact O-N 3.13Å; N33-E35 VanDerWaalsContact OD1-CB 3.23Å; N33-E35 WeakPolarHBondContact OD1-CB 3.24Å; N33-E35 PolarHBondContact OD1-N 3.48Å; N33-E35 VanDerWaalsContact OD1-N 3.09Å; N33-D36 PolarHBondContact N-OD2 3.24Å; N33-D36 PolarHBondContact ND2-OD2 2.87Å; N33-D36 WeakPolarHBondContact O-CB 3.36Å; N33-D36 PolarHBondContact O-N 3.09Å; N33-D36 VanDerWaalsContact O-N 3.16Å; N33-D36 PolarHBondContact OD1-N 3.44Å; N33-C43 WeakPolarHBondContact O-CB 3.33Å |
| 34 | D | 87.4 | Confident | 89 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 10% | 0.102 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -63.8 | -22.8 | -175 | -70.6 | -5.3 | 0 | 0 | 0 | 113.4 | K12 D36 C37 K42 C43 | K12-D34 HydrophobicContact CB-CB 4.41Å; K12-D34 HydrophobicContact CD-CB 4.14Å; K12-D34 VanDerWaalsContact CE-O 3.28Å; K12-D34 WeakPolarHBondContact CE-O 3.43Å; K12-D34 HydrophobicContact CG-CB 4.13Å; K12-D34 PolarHBondContact N-OD2 3.15Å; K12-D34 PolarHBondContact NZ-O 3.44Å; D34-D36 VanDerWaalsContact C-N 3.31Å; D34-C37 WeakPolarHBondContact O-CB 3.25Å; D34-C37 PolarHBondContact O-N 2.03Å; D34-K42 WeakPolarHBondContact OD1-CA 3.44Å; D34-K42 WeakPolarHBondContact OD1-CB 3.32Å; D34-K42 IonicContact OD2-NZ 3.97Å; D34-K42 PolarHBondContact OD2-NZ 3.29Å; D34-C43 PolarHBondContact OD1-N 3.1Å |
| 35 | E | 86.7 | Confident | 89.2 | Confident | 137 Ų | 137 | 74.7 Ų | 74.7 | 64% | 0.64 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -74.2 | -21.7 | 177.9 | -56.5 | -66.8 | 104 | 0 | 0 | 112.6 | N33 C37 | N33-E35 PolarHBondContact O-N 3.13Å; N33-E35 VanDerWaalsContact OD1-CB 3.23Å; N33-E35 WeakPolarHBondContact OD1-CB 3.24Å; N33-E35 PolarHBondContact OD1-N 3.48Å; N33-E35 VanDerWaalsContact OD1-N 3.09Å; E35-C37 PolarHBondContact O-N 3.24Å |
| 36 | D | 91.3 | Very high | 89.4 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -71.4 | -4.1 | 172.6 | -60.8 | -43.9 | 0 | 0 | 0 | 112.2 | C31 N32 N33 D34 | C31-D36 HydrophobicContact CB-CB 3.76Å; N32-D36 WeakPolarHBondContact CA-OD2 3.27Å; N32-D36 WeakPolarHBondContact CB-OD2 2.99Å; N32-D36 PolarHBondContact N-OD2 3.42Å; N33-D36 PolarHBondContact N-OD2 3.24Å; N33-D36 PolarHBondContact ND2-OD2 2.87Å; N33-D36 WeakPolarHBondContact O-CB 3.36Å; N33-D36 PolarHBondContact O-N 3.09Å; N33-D36 VanDerWaalsContact O-N 3.16Å; N33-D36 PolarHBondContact OD1-N 3.44Å; D34-D36 VanDerWaalsContact C-N 3.31Å |
| 37 | C | 92.1 | Very high | 89.6 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -113.8 | 142.6 | -176.4 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | K12 D34 E35 K41 C52 | K12-C37 PolarHBondContact NZ-O 2.78Å; D34-C37 WeakPolarHBondContact O-CB 3.25Å; D34-C37 PolarHBondContact O-N 2.03Å; E35-C37 PolarHBondContact O-N 3.24Å; C37-K41 HydrophobicContact CB-CB 3.98Å; C37-K41 VanDerWaalsContact CB-O 3.24Å; C37-K41 WeakPolarHBondContact CB-O 2.98Å; C37-C52 WeakPolarHBondContact CA-SG 3.41Å; C37-C52 HydrophobicContact CB-CB 3.62Å; C37-C52 WeakPolarHBondContact CB-SG 3Å; C37-C52 WeakPolarHBondContact SG-CA 3.3Å; C37-C52 WeakPolarHBondContact SG-CB 3.37Å; C37-C52 CovalentContact SG-SG 2.03Å; C37-C52 PolarHBondContact SG-SG 2.75Å |
| 38 | D | 90.9 | Very high | 89.8 | Confident | 121 Ų | 121 | 68.6 Ų | 68.6 | 65% | 0.647 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -75 | 159.6 | 173.9 | -54.1 | -80.1 | 0 | 0 | 0 | 112.6 | K41 | D38-K41 VanDerWaalsContact O-CB 3.25Å; D38-K41 WeakPolarHBondContact O-CB 3.19Å; D38-K41 WeakPolarHBondContact O-CG 3.23Å; D38-K41 PolarHBondContact O-N 3.2Å |
| 39 | D | 85.5 | Confident | 89.9 | Confident | 126 Ų | 126 | 63.3 Ų | 63.3 | 67% | 0.674 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | -147.4 | 175.3 | -45.3 | -64.3 | 0 | 0 | 0 | 113.2 | K12 K41 | K12-D39 WeakPolarHBondContact CD-O 3.23Å; K12-D39 VanDerWaalsContact CE-O 3.23Å; K12-D39 WeakPolarHBondContact CE-O 3.43Å; K12-D39 PolarHBondContact NZ-O 3.36Å; D39-K41 PolarHBondContact O-N 2.65Å; D39-K41 IonicContact OD2-NZ 2.67Å; D39-K41 PolarHBondContact OD2-NZ 2.78Å |
| 40 | A | 81.9 | Confident | 89.9 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 49% | 0.488 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 7.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | P55 | A40-P55 VanDerWaalsContact O-CD 3.28Å; A40-P55 WeakPolarHBondContact O-CD 3.28Å |
| 41 | K | 89 | Confident | 89.9 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 27% | 0.265 | 30% | 0.301 | S | S | . | . | trans | -72.6 | 136.8 | -176.9 | -56.6 | -179.8 | -163.5 | 87.7 | 0 | 110.4 | K12 C37 D38 D39 C52 L53 L54 | K12-K41 WeakPolarHBondContact CD-O 3.16Å; K12-K41 PolarHBondContact NZ-O 3.16Å; C37-K41 HydrophobicContact CB-CB 3.98Å; C37-K41 VanDerWaalsContact CB-O 3.24Å; C37-K41 WeakPolarHBondContact CB-O 2.98Å; D38-K41 VanDerWaalsContact O-CB 3.25Å; D38-K41 WeakPolarHBondContact O-CB 3.19Å; D38-K41 WeakPolarHBondContact O-CG 3.23Å; D38-K41 PolarHBondContact O-N 3.2Å; D39-K41 PolarHBondContact O-N 2.65Å; D39-K41 IonicContact OD2-NZ 2.67Å; D39-K41 PolarHBondContact OD2-NZ 2.78Å; K41-C52 HydrophobicContact CB-CB 4.13Å; K41-C52 HydrophobicContact CD-CB 4.22Å; K41-L53 CarbonylContact C-O 3.52Å; K41-L53 VanDerWaalsContact CA-O 3.27Å; K41-L53 WeakPolarHBondContact CA-O 3.42Å; K41-L54 HydrophobicContact CG-CD2 4.11Å | ||
| 42 | K | 89.5 | Confident | 89.9 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 4% | 0.043 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147.4 | 176.2 | -62.8 | 179.7 | 69.5 | 72.3 | 0 | 110.7 | K12 G14 D34 C44 C52 L53 P55 | K12-K42 HydrophobicContact CB-CG 4.27Å; K12-K42 PolarHBondContact O-NZ 3.24Å; G14-K42 WeakPolarHBondContact O-CD 3.36Å; G14-K42 WeakPolarHBondContact O-CE 3.39Å; G14-K42 PolarHBondContact O-NZ 2.62Å; G14-K42 VanDerWaalsContact O-NZ 3.12Å; D34-K42 WeakPolarHBondContact OD1-CA 3.44Å; D34-K42 WeakPolarHBondContact OD1-CB 3.32Å; D34-K42 IonicContact OD2-NZ 3.97Å; D34-K42 PolarHBondContact OD2-NZ 3.29Å; K42-C44 PolarHBondContact O-N 3.2Å; K42-C52 CarbonylContact O-C 3.53Å; K42-C52 VanDerWaalsContact O-CA 3.3Å; K42-C52 WeakPolarHBondContact O-CA 3.02Å; K42-L53 PolarHBondContact N-O 2.88Å; K42-L53 PolarHBondContact O-N 2.81Å; K42-P55 HydrophobicContact CD-CB 4.28Å; K42-P55 HydrophobicContact CD-CG 3.95Å; K42-P55 HydrophobicContact CG-CG 4.14Å |
| 43 | C | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 101.1 | 171.8 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | C31 N33 D34 R50 | C31-C43 HydrophobicContact CB-CB 3.69Å; C31-C43 WeakPolarHBondContact CB-SG 2.98Å; C31-C43 PolarHBondContact O-SG 2.92Å; C31-C43 WeakPolarHBondContact SG-CA 3.41Å; C31-C43 WeakPolarHBondContact SG-CB 3.39Å; C31-C43 CovalentContact SG-SG 2.03Å; C31-C43 PolarHBondContact SG-SG 2.85Å; N33-C43 WeakPolarHBondContact O-CB 3.33Å; D34-C43 PolarHBondContact OD1-N 3.1Å; C43-R50 PolarHBondContact O-NH2 2.03Å; C43-R50 PolarHBondContact SG-NE 3.41Å |
| 44 | C | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.7 | -169.8 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | C16 K42 R50 R51 L53 | C16-C44 WeakPolarHBondContact CA-SG 3.27Å; C16-C44 HydrophobicContact CB-CB 3.65Å; C16-C44 WeakPolarHBondContact CB-SG 3.46Å; C16-C44 WeakPolarHBondContact SG-CA 3.31Å; C16-C44 WeakPolarHBondContact SG-CB 3.28Å; C16-C44 CovalentContact SG-SG 2.03Å; C16-C44 PolarHBondContact SG-SG 3Å; K42-C44 PolarHBondContact O-N 3.2Å; C44-R50 CarbonylContact O-C 3.59Å; C44-R50 WeakPolarHBondContact O-CA 3.4Å; C44-R51 PolarHBondContact N-O 3.42Å; C44-R51 PolarHBondContact O-N 2.8Å; C44-L53 HydrophobicContact CB-CB 4.26Å; C44-L53 HydrophobicContact CB-CD1 3.92Å; C44-L53 HydrophobicContact CB-CG 4.23Å |
| 45 | P | 89.7 | Confident | 89.7 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 137.5 | 171.2 | 29.3 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 46 | T | 89.7 | Confident | 89.5 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 15% | 0.153 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 174.6 | 172.7 | 73.9 | 0 | 0 | 0 | 0 | 109.4 | I48 G49 R51 L53 | T46-I48 PolarHBondContact O-N 3.5Å; T46-I48 VanDerWaalsContact O-N 3.13Å; T46-I48 PolarHBondContact OG1-N 2.83Å; T46-G49 CarbonylContact C-O 3.49Å; T46-G49 WeakPolarHBondContact CA-O 3.45Å; T46-G49 WeakPolarHBondContact CB-O 2.98Å; T46-G49 PolarHBondContact N-O 2.84Å; T46-G49 PolarHBondContact O-N 3.12Å; T46-G49 PolarHBondContact OG1-O 3.43Å; T46-R51 HydrophobicContact CG2-CB 3.8Å; T46-R51 HydrophobicContact CG2-CG 3.58Å; T46-L53 HydrophobicContact CG2-CD1 3.96Å |
| 47 | L | 90.6 | Very high | 88.6 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -30.5 | 173.9 | -176.6 | 60.1 | 0 | 0 | 0 | 112.9 | Q21 P22 L24 | Q21-L47 HydrophobicContact CB-CD1 3.9Å; P22-L47 WeakPolarHBondContact O-CD1 2.98Å; L24-L47 WeakPolarHBondContact CB-O 3.44Å; L24-L47 HydrophobicContact CD1-CD1 4.34Å; L24-L47 HydrophobicContact CD1-CG 4.1Å; L24-L47 HydrophobicContact CD2-CD1 4.31Å; L24-L47 HydrophobicContact CG-CD1 3.75Å; L24-L47 HydrophobicContact CG-CG 4.02Å; L24-L47 PolarHBondContact N-O 3.47Å |
| 48 | I | 90 | Very high | 87.5 | Confident | 94 Ų | 94 | 59.3 Ų | 59.3 | 48% | 0.482 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 51.4 | -175.7 | 55 | 162.1 | 0 | 0 | 0 | 112.5 | L24 I28 T46 R51 | L24-I48 HydrophobicContact CD1-CG2 4.11Å; I28-I48 PolarHBondContact N-O 2.73Å; T46-I48 PolarHBondContact O-N 3.5Å; T46-I48 VanDerWaalsContact O-N 3.13Å; T46-I48 PolarHBondContact OG1-N 2.83Å; I48-R51 PolarHBondContact O-NH2 3.13Å |
| 49 | G | 90.8 | Very high | 86.6 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.7 | -159.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T46 | T46-G49 CarbonylContact C-O 3.49Å; T46-G49 WeakPolarHBondContact CA-O 3.45Å; T46-G49 WeakPolarHBondContact CB-O 2.98Å; T46-G49 PolarHBondContact N-O 2.84Å; T46-G49 PolarHBondContact O-N 3.12Å; T46-G49 PolarHBondContact OG1-O 3.43Å |
| 50 | R | 92.9 | Very high | 86.1 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 143.7 | -179.6 | -55.2 | -179.8 | 77.8 | 87.6 | -5.6 | 114.1 | S29 R30 C43 C44 | S29-R50 PolarHBondContact OG-N 2.83Å; S29-R50 VanDerWaalsContact OG-N 3.12Å; R30-R50 PolarHBondContact N-O 3.25Å; C43-R50 PolarHBondContact O-NH2 2.03Å; C43-R50 PolarHBondContact SG-NE 3.41Å; C44-R50 CarbonylContact O-C 3.59Å; C44-R50 WeakPolarHBondContact O-CA 3.4Å |
| 51 | R | 93.7 | Very high | 86 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.1 | 179.3 | -53.8 | -64.1 | 155.3 | 176.2 | 0.5 | 111.2 | I28 C44 T46 I48 L53 | I28-R51 VanDerWaalsContact O-CZ 3.3Å; I28-R51 PolarHBondContact O-NH2 2.86Å; C44-R51 PolarHBondContact N-O 3.42Å; C44-R51 PolarHBondContact O-N 2.8Å; T46-R51 HydrophobicContact CG2-CB 3.8Å; T46-R51 HydrophobicContact CG2-CG 3.58Å; I48-R51 PolarHBondContact O-NH2 3.13Å; R51-L53 HydrophobicContact CB-CD2 4.35Å; R51-L53 HydrophobicContact CB-CG 4.37Å; R51-L53 PolarHBondContact O-N 3Å |
| 52 | C | 94 | Very high | 85.8 | Confident | 47 Ų | 47 | 51.6 Ų | 51.6 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 109.6 | 169.3 | -60.1 | 0 | 0 | 0 | 0 | 109.8 | C37 K41 K42 | C37-C52 WeakPolarHBondContact CA-SG 3.41Å; C37-C52 HydrophobicContact CB-CB 3.62Å; C37-C52 WeakPolarHBondContact CB-SG 3Å; C37-C52 WeakPolarHBondContact SG-CA 3.3Å; C37-C52 WeakPolarHBondContact SG-CB 3.37Å; C37-C52 CovalentContact SG-SG 2.03Å; C37-C52 PolarHBondContact SG-SG 2.75Å; K41-C52 HydrophobicContact CB-CB 4.13Å; K41-C52 HydrophobicContact CD-CB 4.22Å; K42-C52 CarbonylContact O-C 3.53Å; K42-C52 VanDerWaalsContact O-CA 3.3Å; K42-C52 WeakPolarHBondContact O-CA 3.02Å |
| 53 | L | 91.3 | Very high | 85.3 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 152.3 | 178.6 | -61.1 | -178.8 | 0 | 0 | 0 | 109.5 | P17 K41 K42 C44 T46 R51 | P17-L53 HydrophobicContact CG-CB 4.47Å; P17-L53 HydrophobicContact CG-CD1 4.34Å; K41-L53 CarbonylContact C-O 3.52Å; K41-L53 VanDerWaalsContact CA-O 3.27Å; K41-L53 WeakPolarHBondContact CA-O 3.42Å; K42-L53 PolarHBondContact N-O 2.88Å; K42-L53 PolarHBondContact O-N 2.81Å; C44-L53 HydrophobicContact CB-CB 4.26Å; C44-L53 HydrophobicContact CB-CD1 3.92Å; C44-L53 HydrophobicContact CB-CG 4.23Å; T46-L53 HydrophobicContact CG2-CD1 3.96Å; R51-L53 HydrophobicContact CB-CD2 4.35Å; R51-L53 HydrophobicContact CB-CG 4.37Å; R51-L53 PolarHBondContact O-N 3Å |
| 54 | L | 87.8 | Confident | 84.9 | Confident | 116 Ų | 116 | 58.7 Ų | 58.7 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 147.2 | 166.2 | -69.8 | 170.7 | 0 | 0 | 0 | 109.5 | P17 K41 | P17-L54 WeakPolarHBondContact CD-O 3.19Å; P17-L54 WeakPolarHBondContact CG-O 3.36Å; K41-L54 HydrophobicContact CG-CD2 4.11Å |
| 55 | P | 83.8 | Confident | 84.4 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 149.3 | 168.8 | -20.9 | 31.1 | 0 | 0 | 0 | 110.7 | A13 L15 A40 K42 P57 I60 | A13-P55 VanDerWaalsContact O-CG 3.31Å; A13-P55 WeakPolarHBondContact O-CG 3.4Å; L15-P55 CarbonylContact O-C 3.57Å; L15-P55 VanDerWaalsContact O-CA 3.27Å; L15-P55 WeakPolarHBondContact O-CA 3.02Å; A40-P55 VanDerWaalsContact O-CD 3.28Å; A40-P55 WeakPolarHBondContact O-CD 3.28Å; K42-P55 HydrophobicContact CD-CB 4.28Å; K42-P55 HydrophobicContact CD-CG 3.95Å; K42-P55 HydrophobicContact CG-CG 4.14Å; P55-P57 WeakPolarHBondContact O-CD 2.9Å; P55-I60 HydrophobicContact CB-CG2 3.92Å |
| 56 | D | 82.8 | Confident | 84.1 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -65 | 116.7 | 176.1 | -172.8 | -40.5 | 0 | 0 | 0 | 109.7 | L15 P17 L58 R59 I60 | L15-D56 PolarHBondContact O-N 2.94Å; P17-D56 HydrophobicContact CG-CB 4.45Å; D56-L58 PolarHBondContact O-N 2.89Å; D56-L58 VanDerWaalsContact O-N 3.13Å; D56-L58 WeakPolarHBondContact OD1-CB 3.02Å; D56-L58 PolarHBondContact OD1-N 2.93Å; D56-R59 HydrophobicContact CB-CB 4Å; D56-R59 HydrophobicContact CB-CG 3.93Å; D56-R59 PolarHBondContact O-N 3.15Å; D56-I60 WeakPolarHBondContact O-CG2 3.45Å; D56-I60 PolarHBondContact O-N 2.81Å |
| 57 | P | 70.9 | Confident | 83.5 | Confident | 86 Ų | 86 | 67.1 Ų | 67.1 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.3 | -176.2 | 26.2 | -34.7 | 0 | 0 | 0 | 113.3 | P55 I60 I61 | P55-P57 WeakPolarHBondContact O-CD 2.9Å; P57-I60 WeakPolarHBondContact O-CG1 3.12Å; P57-I61 VanDerWaalsContact O-CD1 3.24Å; P57-I61 WeakPolarHBondContact O-CD1 3.42Å; P57-I61 VanDerWaalsContact O-CG1 3.31Å; P57-I61 WeakPolarHBondContact O-CG1 3.43Å |
| 58 | L | 70.4 | Confident | 82.9 | Confident | 143 Ų | 143 | 64.4 Ų | 64.4 | 75% | 0.749 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -19.3 | 177.4 | -59.9 | -178.8 | 0 | 0 | 0 | 112.6 | D56 | D56-L58 PolarHBondContact O-N 2.89Å; D56-L58 VanDerWaalsContact O-N 3.13Å; D56-L58 WeakPolarHBondContact OD1-CB 3.02Å; D56-L58 PolarHBondContact OD1-N 2.93Å |
| 59 | R | 72.4 | Confident | 82 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -100 | 7.9 | -178.8 | -57.7 | -170.7 | 65.2 | 140.9 | 2.9 | 113.7 | L15 D56 V88 | L15-R59 HydrophobicContact CB-CB 3.98Å; L15-R59 HydrophobicContact CD1-CB 4Å; D56-R59 HydrophobicContact CB-CB 4Å; D56-R59 HydrophobicContact CB-CG 3.93Å; D56-R59 PolarHBondContact O-N 3.15Å; R59-V88 WeakPolarHBondContact O-CG1 3.32Å |
| 60 | I | 73.9 | Confident | 81.2 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 14% | 0.138 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -114.7 | 0.8 | 176.3 | 63.4 | -173 | 0 | 0 | 0 | 112.4 | P55 D56 P57 L67 A68 | P55-I60 HydrophobicContact CB-CG2 3.92Å; D56-I60 WeakPolarHBondContact O-CG2 3.45Å; D56-I60 PolarHBondContact O-N 2.81Å; P57-I60 WeakPolarHBondContact O-CG1 3.12Å; I60-L67 HydrophobicContact CB-CD1 3.73Å; I60-L67 HydrophobicContact CD1-CD1 3.41Å; I60-L67 VanDerWaalsContact CD1-CD1 3.41Å; I60-L67 HydrophobicContact CG1-CD1 3.42Å; I60-L67 VanDerWaalsContact CG1-CD1 3.42Å; I60-A68 WeakPolarHBondContact O-CB 3.46Å; I60-A68 PolarHBondContact O-N 3.43Å |
| 61 | I | 79.6 | Confident | 80.6 | Confident | 93 Ų | 93 | 62.5 Ų | 62.5 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -93.1 | 119.9 | -178.2 | -63.3 | 168.9 | 0 | 0 | 0 | 109 | P57 S66 | P57-I61 VanDerWaalsContact O-CD1 3.24Å; P57-I61 WeakPolarHBondContact O-CD1 3.42Å; P57-I61 VanDerWaalsContact O-CG1 3.31Å; P57-I61 WeakPolarHBondContact O-CG1 3.43Å; I61-S66 WeakPolarHBondContact CA-O 3.43Å |
| 62 | C | 84.5 | Confident | 80.2 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | trans | -70.8 | 160.5 | 171.9 | -70.5 | 0 | 0 | 0 | 0 | 111.4 | D64 S65 S66 C90 | C62-D64 WeakPolarHBondContact CB-OD1 3.2Å; C62-D64 PolarHBondContact O-N 3.03Å; C62-D64 VanDerWaalsContact O-N 3.12Å; C62-S65 WeakPolarHBondContact O-CA 3.43Å; C62-S65 PolarHBondContact O-N 2.03Å; C62-S66 WeakPolarHBondContact CB-O 3.07Å; C62-S66 VanDerWaalsContact CB-OG 3.28Å; C62-S66 WeakPolarHBondContact CB-OG 3.41Å; C62-S66 PolarHBondContact N-O 2.84Å; C62-C90 WeakPolarHBondContact CA-SG 3.24Å; C62-C90 HydrophobicContact CB-CB 3.71Å; C62-C90 WeakPolarHBondContact CB-SG 3.31Å; C62-C90 WeakPolarHBondContact SG-CA 3.37Å; C62-C90 WeakPolarHBondContact SG-CB 3.4Å; C62-C90 CovalentContact SG-SG 2.03Å; C62-C90 PolarHBondContact SG-SG 2.66Å | ||
| 63 | P | 80.3 | Confident | 79.8 | Confident | 89 Ų | 89 | 64.7 Ų | 64.7 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.1 | -178.7 | 24.1 | -34.9 | 0 | 0 | 0 | 113.7 | S65 I85 I93 | P63-S65 PolarHBondContact O-N 3.38Å; P63-I85 HydrophobicContact CG-CD1 4.07Å; P63-I93 HydrophobicContact CG-CD1 4.48Å |
| 64 | D | 82.2 | Confident | 79.6 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 7.7 | 173.5 | 72.8 | -49.5 | 0 | 0 | 0 | 113.5 | C62 S66 I93 | C62-D64 WeakPolarHBondContact CB-OD1 3.2Å; C62-D64 PolarHBondContact O-N 3.03Å; C62-D64 VanDerWaalsContact O-N 3.12Å; D64-S66 PolarHBondContact O-N 2.84Å; D64-S66 WeakPolarHBondContact OD1-CB 3.09Å; D64-S66 PolarHBondContact OD1-N 3.34Å; D64-S66 PolarHBondContact OD1-OG 3.44Å; D64-S66 WeakPolarHBondContact OD2-CB 3.47Å; D64-S66 PolarHBondContact OD2-OG 3.12Å; D64-I93 HydrophobicContact CB-CD1 3.8Å; D64-I93 HydrophobicContact CB-CG1 4Å |
| 65 | S | 80.5 | Confident | 79.6 | Confident | 102 Ų | 102 | 66 Ų | 66 | 71% | 0.713 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 67.8 | 9.4 | -172.3 | -49.2 | 0 | 0 | 0 | 0 | 115.4 | C62 P63 | C62-S65 WeakPolarHBondContact O-CA 3.43Å; C62-S65 PolarHBondContact O-N 2.03Å; P63-S65 PolarHBondContact O-N 3.38Å |
| 66 | S | 83.6 | Confident | 79.7 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 164 | 171.3 | 68 | 0 | 0 | 0 | 0 | 111.9 | I61 C62 D64 P91 | I61-S66 WeakPolarHBondContact CA-O 3.43Å; C62-S66 WeakPolarHBondContact CB-O 3.07Å; C62-S66 VanDerWaalsContact CB-OG 3.28Å; C62-S66 WeakPolarHBondContact CB-OG 3.41Å; C62-S66 PolarHBondContact N-O 2.84Å; D64-S66 PolarHBondContact O-N 2.84Å; D64-S66 WeakPolarHBondContact OD1-CB 3.09Å; D64-S66 PolarHBondContact OD1-N 3.34Å; D64-S66 PolarHBondContact OD1-OG 3.44Å; D64-S66 WeakPolarHBondContact OD2-CB 3.47Å; D64-S66 PolarHBondContact OD2-OG 3.12Å; S66-P91 WeakPolarHBondContact OG-CD 3.31Å; S66-P91 WeakPolarHBondContact OG-CG 3.47Å |
| 67 | L | 78.2 | Confident | 79.7 | Confident | 121 Ų | 121 | 74 Ų | 74 | 63% | 0.634 | 41% | 0.411 | S | S | * | . | B | Isolated β-bridge | trans | -86.5 | 128.4 | 174.8 | -174 | 67.3 | 0 | 0 | 0 | 109.5 | I60 | I60-L67 HydrophobicContact CB-CD1 3.73Å; I60-L67 HydrophobicContact CD1-CD1 3.41Å; I60-L67 VanDerWaalsContact CD1-CD1 3.41Å; I60-L67 HydrophobicContact CG1-CD1 3.42Å; I60-L67 VanDerWaalsContact CG1-CD1 3.42Å |
| 68 | A | 76.7 | Confident | 80.4 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 2% | 0.017 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 136.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | I60 V88 C89 | I60-A68 WeakPolarHBondContact O-CB 3.46Å; I60-A68 PolarHBondContact O-N 3.43Å; A68-V88 HydrophobicContact CB-CB 3.57Å; A68-V88 HydrophobicContact CB-CG1 4.16Å; A68-V88 HydrophobicContact CB-CG2 3.93Å; A68-C89 WeakPolarHBondContact CA-O 3.38Å |
| 69 | D | 72.2 | Confident | 81 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | trans | -82.5 | -35.1 | -175.5 | -171.2 | 56.7 | 0 | 0 | 0 | 112.9 | A13 C89 | A13-D69 WeakPolarHBondContact CA-O 3.28Å; A13-D69 WeakPolarHBondContact CB-O 3.13Å; D69-C89 PolarHBondContact N-O 2.84Å | ||
| 70 | L | 74.1 | Confident | 81.3 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | trans | -147.6 | 160.3 | -177.3 | -164 | 74.1 | 0 | 0 | 0 | 110.6 | V11 D77 L79 V88 C89 | V11-L70 WeakPolarHBondContact O-CD1 3.43Å; L70-D77 WeakPolarHBondContact CD2-O 3.47Å; L70-L79 HydrophobicContact CD2-CD1 4.39Å; L70-V88 CarbonylContact O-C 3.59Å; L70-V88 WeakPolarHBondContact O-CA 3.46Å; L70-C89 HydrophobicContact CB-CB 4.35Å; L70-C89 PolarHBondContact O-N 3.19Å | ||
| 71 | T | 80.1 | Confident | 81.4 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 18% | 0.184 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -85.7 | 145.3 | 162.3 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | G14 L15 D87 V88 | G14-T71 VanDerWaalsContact C-CG2 3.47Å; G14-T71 WeakPolarHBondContact O-CG2 2.97Å; L15-T71 HydrophobicContact CD2-CG2 3.6Å; L15-T71 HydrophobicContact CG-CG2 3.85Å; T71-D87 CarbonylContact C-O 3.53Å; T71-D87 WeakPolarHBondContact CA-O 3.48Å; T71-D87 WeakPolarHBondContact CB-O 3.05Å; T71-V88 HydrophobicContact CG2-CG1 4.42Å |
| 72 | C | 85.7 | Confident | 81.7 | Confident | 8 Ų | 8 | 71 Ų | 71 | 5% | 0.054 | 41% | 0.411 | C | S | . | . | trans | -138.4 | 162.8 | -177.5 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | D77 C84 D87 C89 | C72-D77 HydrophobicContact CB-CB 3.87Å; C72-C84 HydrophobicContact CB-CB 3.81Å; C72-C84 WeakPolarHBondContact CB-SG 3.28Å; C72-C84 WeakPolarHBondContact SG-CA 3.45Å; C72-C84 WeakPolarHBondContact SG-CB 3.39Å; C72-C84 CovalentContact SG-SG 2.02Å; C72-C84 PolarHBondContact SG-SG 3.41Å; C72-D87 PolarHBondContact N-O 2.91Å; C72-D87 WeakPolarHBondContact O-CA 2.99Å; C72-C89 VanDerWaalsContact CB-SG 3.53Å | ||
| 73 | V | 85.9 | Confident | 81.9 | Confident | 120 Ų | 120 | 72.4 Ų | 72.4 | 73% | 0.727 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -107.7 | -35.8 | 163.9 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | D77 | V73-D77 PolarHBondContact N-OD2 2.87Š|
| 74 | L | 86.6 | Confident | 82.3 | Confident | 110 Ų | 110 | 69.4 Ų | 69.4 | 58% | 0.576 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -133.5 | 160.1 | -179.4 | -62.6 | 173.1 | 0 | 0 | 0 | 110.1 | I76 D77 | L74-I76 HydrophobicContact CB-CG2 3.97Å; L74-I76 HydrophobicContact CD1-CG2 4.48Å; L74-I76 PolarHBondContact O-N 3.46Å; L74-I76 VanDerWaalsContact O-N 3.12Å; L74-D77 PolarHBondContact N-OD2 2.98Å; L74-D77 WeakPolarHBondContact O-CB 3.35Å; L74-D77 PolarHBondContact O-N 3.1Å |
| 75 | D | 86.5 | Confident | 82.6 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -57.6 | -29 | 177.9 | -55.2 | -30.9 | 0 | 0 | 0 | 112.8 | D77 C78 C84 | D75-D77 PolarHBondContact O-N 2.88Å; D75-C78 VanDerWaalsContact O-CB 3.32Å; D75-C78 WeakPolarHBondContact O-CB 3.26Å; D75-C78 PolarHBondContact O-N 3.29Å; D75-C78 VanDerWaalsContact O-N 3.1Å; D75-C84 VanDerWaalsContact OD1-CB 3.31Å; D75-C84 WeakPolarHBondContact OD1-CB 3.34Å; D75-C84 PolarHBondContact OD1-N 2.83Å |
| 76 | I | 85.7 | Confident | 82.7 | Confident | 148 Ų | 148 | 70.3 Ų | 70.3 | 76% | 0.759 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -68 | -19.1 | 177.9 | -165 | 166.6 | 0 | 0 | 0 | 113.6 | L74 C78 | L74-I76 HydrophobicContact CB-CG2 3.97Å; L74-I76 HydrophobicContact CD1-CG2 4.48Å; L74-I76 PolarHBondContact O-N 3.46Å; L74-I76 VanDerWaalsContact O-N 3.12Å; I76-C78 PolarHBondContact O-N 3.28Å |
| 77 | D | 84 | Confident | 82.7 | Confident | 70 Ų | 70 | 72.8 Ų | 72.8 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -75.7 | -15 | 175.4 | -56.2 | -41.6 | 0 | 0 | 0 | 111.4 | L70 C72 V73 L74 D75 | L70-D77 WeakPolarHBondContact CD2-O 3.47Å; C72-D77 HydrophobicContact CB-CB 3.87Å; V73-D77 PolarHBondContact N-OD2 2.87Å; L74-D77 PolarHBondContact N-OD2 2.98Å; L74-D77 WeakPolarHBondContact O-CB 3.35Å; L74-D77 PolarHBondContact O-N 3.1Å; D75-D77 PolarHBondContact O-N 2.88Å |
| 78 | C | 86 | Confident | 83 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 12% | 0.122 | 38% | 0.379 | C | S | . | . | trans | -89.9 | 144.1 | -176.3 | -60 | 0 | 0 | 0 | 0 | 112.9 | D75 I76 N82 C89 | D75-C78 VanDerWaalsContact O-CB 3.32Å; D75-C78 WeakPolarHBondContact O-CB 3.26Å; D75-C78 PolarHBondContact O-N 3.29Å; D75-C78 VanDerWaalsContact O-N 3.1Å; I76-C78 PolarHBondContact O-N 3.28Å; C78-N82 HydrophobicContact CB-CB 3.88Å; C78-N82 WeakPolarHBondContact CB-O 3.01Å; C78-C89 WeakPolarHBondContact CA-SG 3.45Å; C78-C89 HydrophobicContact CB-CB 3.71Å; C78-C89 WeakPolarHBondContact CB-SG 3.19Å; C78-C89 VanDerWaalsContact SG-CA 3.5Å; C78-C89 WeakPolarHBondContact SG-CB 3.28Å; C78-C89 CovalentContact SG-SG 2.03Å; C78-C89 PolarHBondContact SG-SG 3.03Å | ||
| 79 | L | 83.2 | Confident | 83.6 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -88.6 | 165.2 | 172.7 | -71.5 | 80.1 | 0 | 0 | 0 | 110.6 | L70 A81 N82 | L70-L79 HydrophobicContact CD2-CD1 4.39Å; L79-A81 VanDerWaalsContact C-N 3.28Å; L79-A81 PolarHBondContact O-N 3.08Å; L79-A81 VanDerWaalsContact O-N 3.15Å; L79-N82 VanDerWaalsContact O-CB 3.31Å; L79-N82 WeakPolarHBondContact O-CB 3.31Å; L79-N82 PolarHBondContact O-N 3.15Å; L79-N82 VanDerWaalsContact O-N 3.08Å; L79-N82 PolarHBondContact O-ND2 2.02Å; L79-N82 VanDerWaalsContact O-ND2 3.15Å |
| 80 | D | 78.6 | Confident | 84.3 | Confident | 145 Ų | 145 | 63 Ų | 63 | 78% | 0.775 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 31.8 | 170.4 | -59.3 | -52.6 | 0 | 0 | 0 | 116.2 | N82 | D80-N82 PolarHBondContact O-N 2.03Š|
| 81 | A | 75.7 | Confident | 84.9 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 74% | 0.736 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 26.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L79 | L79-A81 VanDerWaalsContact C-N 3.28Å; L79-A81 PolarHBondContact O-N 3.08Å; L79-A81 VanDerWaalsContact O-N 3.15Å |
| 82 | N | 85.9 | Confident | 84.8 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 14% | 0.144 | 38% | 0.383 | C | S | . | . | trans | -67.9 | 153.5 | 166.8 | -69.2 | -32.3 | 0 | 0 | 0 | 110.6 | C78 L79 D80 C89 C90 P91 | C78-N82 HydrophobicContact CB-CB 3.88Å; C78-N82 WeakPolarHBondContact CB-O 3.01Å; L79-N82 VanDerWaalsContact O-CB 3.31Å; L79-N82 WeakPolarHBondContact O-CB 3.31Å; L79-N82 PolarHBondContact O-N 3.15Å; L79-N82 VanDerWaalsContact O-N 3.08Å; L79-N82 PolarHBondContact O-ND2 2.02Å; L79-N82 VanDerWaalsContact O-ND2 3.15Å; D80-N82 PolarHBondContact O-N 2.03Å; N82-C89 HydrophobicContact CB-CB 4.12Å; N82-C90 CarbonylContact C-O 3.52Å; N82-C90 VanDerWaalsContact CA-O 3.26Å; N82-C90 WeakPolarHBondContact CA-O 2.99Å; N82-C90 VanDerWaalsContact CB-O 3.28Å; N82-C90 WeakPolarHBondContact CB-O 3.33Å; N82-P91 WeakPolarHBondContact OD1-CA 3.49Å | ||
| 83 | V | 89.2 | Confident | 84.1 | Confident | 33 Ų | 33 | 72.8 Ų | 72.8 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 147.5 | 177.3 | -71 | 0 | 0 | 0 | 0 | 110.5 | I85 C89 C90 E92 | V83-I85 HydrophobicContact CG2-CD1 3.71Å; V83-I85 HydrophobicContact CG2-CG1 3.87Å; V83-I85 PolarHBondContact O-N 2.95Å; V83-C89 WeakPolarHBondContact O-CA 2.93Å; V83-C90 PolarHBondContact N-O 3.14Å; V83-C90 PolarHBondContact O-N 3.27Å; V83-E92 HydrophobicContact CG1-CG 4.49Å |
| 84 | C | 88.8 | Confident | 83.2 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 106.1 | 179.4 | -168.1 | 0 | 0 | 0 | 0 | 110.7 | C72 D75 | C72-C84 HydrophobicContact CB-CB 3.81Å; C72-C84 WeakPolarHBondContact CB-SG 3.28Å; C72-C84 WeakPolarHBondContact SG-CA 3.45Å; C72-C84 WeakPolarHBondContact SG-CB 3.39Å; C72-C84 CovalentContact SG-SG 2.02Å; C72-C84 PolarHBondContact SG-SG 3.41Å; D75-C84 VanDerWaalsContact OD1-CB 3.31Å; D75-C84 WeakPolarHBondContact OD1-CB 3.34Å; D75-C84 PolarHBondContact OD1-N 2.83Å |
| 85 | I | 87.2 | Confident | 82.5 | Confident | 53 Ų | 53 | 74.2 Ų | 74.2 | 27% | 0.272 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122 | -179.2 | -54.8 | 179.2 | 0 | 0 | 0 | 108.2 | P63 V83 D87 V88 C90 | P63-I85 HydrophobicContact CG-CD1 4.07Å; V83-I85 HydrophobicContact CG2-CD1 3.71Å; V83-I85 HydrophobicContact CG2-CG1 3.87Å; V83-I85 PolarHBondContact O-N 2.95Å; I85-D87 VanDerWaalsContact C-N 3.29Å; I85-D87 PolarHBondContact O-N 2.85Å; I85-V88 PolarHBondContact N-O 3.35Å; I85-V88 WeakPolarHBondContact O-CG2 3.03Å; I85-V88 PolarHBondContact O-N 2.89Å; I85-C90 HydrophobicContact CD1-CB 4.02Å; I85-C90 HydrophobicContact CG1-CB 4.41Å |
| 86 | N | 83.5 | Confident | 81.8 | Confident | 137 Ų | 137 | 74.6 Ų | 74.6 | 73% | 0.733 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 47 | 179.8 | -62.8 | -52.2 | 0 | 0 | 0 | 113.5 | V88 | N86-V88 PolarHBondContact O-N 3.45Š|
| 87 | D | 83.1 | Confident | 81.4 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 13.7 | -179.5 | -42.4 | -64.7 | 0 | 0 | 0 | 114.9 | L15 T71 C72 I85 | L15-D87 HydrophobicContact CD1-CB 4.25Å; T71-D87 CarbonylContact C-O 3.53Å; T71-D87 WeakPolarHBondContact CA-O 3.48Å; T71-D87 WeakPolarHBondContact CB-O 3.05Å; C72-D87 PolarHBondContact N-O 2.91Å; C72-D87 WeakPolarHBondContact O-CA 2.99Å; I85-D87 VanDerWaalsContact C-N 3.29Å; I85-D87 PolarHBondContact O-N 2.85Å |
| 88 | V | 85.4 | Confident | 81.3 | Confident | 6 Ų | 6 | 77.1 Ų | 77.1 | 4% | 0.036 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.9 | 176.8 | -66.2 | 0 | 0 | 0 | 0 | 113 | L15 R59 A68 L70 T71 I85 N86 C90 | L15-V88 HydrophobicContact CD1-CG1 3.92Å; L15-V88 HydrophobicContact CG-CG1 4.15Å; R59-V88 WeakPolarHBondContact O-CG1 3.32Å; A68-V88 HydrophobicContact CB-CB 3.57Å; A68-V88 HydrophobicContact CB-CG1 4.16Å; A68-V88 HydrophobicContact CB-CG2 3.93Å; L70-V88 CarbonylContact O-C 3.59Å; L70-V88 WeakPolarHBondContact O-CA 3.46Å; T71-V88 HydrophobicContact CG2-CG1 4.42Å; I85-V88 PolarHBondContact N-O 3.35Å; I85-V88 WeakPolarHBondContact O-CG2 3.03Å; I85-V88 PolarHBondContact O-N 2.89Å; N86-V88 PolarHBondContact O-N 3.45Å; V88-C90 PolarHBondContact O-N 3.29Å |
| 89 | C | 87.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.007 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 117.9 | 177.9 | -65.4 | 0 | 0 | 0 | 0 | 110.3 | A68 D69 L70 C72 C78 N82 V83 | A68-C89 WeakPolarHBondContact CA-O 3.38Å; D69-C89 PolarHBondContact N-O 2.84Å; L70-C89 HydrophobicContact CB-CB 4.35Å; L70-C89 PolarHBondContact O-N 3.19Å; C72-C89 VanDerWaalsContact CB-SG 3.53Å; C78-C89 WeakPolarHBondContact CA-SG 3.45Å; C78-C89 HydrophobicContact CB-CB 3.71Å; C78-C89 WeakPolarHBondContact CB-SG 3.19Å; C78-C89 VanDerWaalsContact SG-CA 3.5Å; C78-C89 WeakPolarHBondContact SG-CB 3.28Å; C78-C89 CovalentContact SG-SG 2.03Å; C78-C89 PolarHBondContact SG-SG 3.03Å; N82-C89 HydrophobicContact CB-CB 4.12Å; V83-C89 WeakPolarHBondContact O-CA 2.93Å |
| 90 | C | 88.5 | Confident | 81.3 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.007 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148.6 | -178.5 | -70.4 | 0 | 0 | 0 | 0 | 111.2 | C62 N82 V83 I85 V88 E92 | C62-C90 WeakPolarHBondContact CA-SG 3.24Å; C62-C90 HydrophobicContact CB-CB 3.71Å; C62-C90 WeakPolarHBondContact CB-SG 3.31Å; C62-C90 WeakPolarHBondContact SG-CA 3.37Å; C62-C90 WeakPolarHBondContact SG-CB 3.4Å; C62-C90 CovalentContact SG-SG 2.03Å; C62-C90 PolarHBondContact SG-SG 2.66Å; N82-C90 CarbonylContact C-O 3.52Å; N82-C90 VanDerWaalsContact CA-O 3.26Å; N82-C90 WeakPolarHBondContact CA-O 2.99Å; N82-C90 VanDerWaalsContact CB-O 3.28Å; N82-C90 WeakPolarHBondContact CB-O 3.33Å; V83-C90 PolarHBondContact N-O 3.14Å; V83-C90 PolarHBondContact O-N 3.27Å; I85-C90 HydrophobicContact CD1-CB 4.02Å; I85-C90 HydrophobicContact CG1-CB 4.41Å; V88-C90 PolarHBondContact O-N 3.29Å; C90-E92 PolarHBondContact O-N 2.75Å |
| 91 | P | 85.3 | Confident | 81.4 | Confident | 47 Ų | 47 | 83.1 Ų | 83.1 | 31% | 0.305 | 48% | 0.484 | S | S | . | . | trans | -59.2 | 136.2 | 172.7 | 26.2 | -33.3 | 0 | 0 | 0 | 110.1 | S66 N82 I93 | S66-P91 WeakPolarHBondContact OG-CD 3.31Å; S66-P91 WeakPolarHBondContact OG-CG 3.47Å; N82-P91 WeakPolarHBondContact OD1-CA 3.49Å; P91-I93 PolarHBondContact O-N 3.12Å; P91-I93 VanDerWaalsContact O-N 3.14Å | ||
| 92 | E | 79.2 | Confident | 81.6 | Confident | 131 Ų | 131 | 83.9 Ų | 83.9 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | trans | -63.3 | 116.9 | 168.5 | -161.2 | -177.1 | 106.6 | 0 | 0 | 107.3 | V83 C90 P94 | V83-E92 HydrophobicContact CG1-CG 4.49Å; C90-E92 PolarHBondContact O-N 2.75Å; E92-P94 WeakPolarHBondContact O-CD 3.13Å | ||
| 93 | I | 69.8 | Low | 81.4 | Confident | 98 Ų | 98 | 88.8 Ų | 88.8 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | trans | -70.4 | 112.2 | 170.7 | -55.2 | 173.3 | 0 | 0 | 0 | 105.5 | P63 D64 P91 L95 | P63-I93 HydrophobicContact CG-CD1 4.48Å; D64-I93 HydrophobicContact CB-CD1 3.8Å; D64-I93 HydrophobicContact CB-CG1 4Å; P91-I93 PolarHBondContact O-N 3.12Å; P91-I93 VanDerWaalsContact O-N 3.14Å; I93-L95 PolarHBondContact O-N 3.04Å | ||
| 94 | P | 67 | Low | 81 | Confident | 106 Ų | 106 | 93.1 Ų | 93.1 | 69% | 0.688 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 120.7 | 176.9 | -17.4 | 31.8 | 0 | 0 | 0 | 107.4 | E92 | E92-P94 WeakPolarHBondContact O-CD 3.13Š|
| 95 | L | 71.4 | Confident | 80.5 | Confident | 154 Ų | 154 | 96.4 Ų | 96.4 | 81% | 0.806 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 140.3 | 171.7 | -68.9 | 173.8 | 0 | 0 | 0 | 108.1 | I93 | I93-L95 PolarHBondContact O-N 3.04Š|
| 96 | P | 72.7 | Confident | 80 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 148.5 | 174.1 | 24.9 | -33.2 | 0 | 0 | 0 | 109.3 | I98 | P96-I98 PolarHBondContact O-N 3.18Š|
| 97 | P | 78.4 | Confident | 79.5 | Confident | 123 Ų | 123 | 100.3 Ų | 100.3 | 80% | 0.799 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -54 | 128.2 | 178.3 | 20.5 | -30.7 | 0 | 0 | 0 | 109.8 | P99 | P97-P99 WeakPolarHBondContact O-CD 3.49Š|
| 98 | I | 81.7 | Confident | 79 | Confident | 148 Ų | 148 | 101.3 Ų | 101.3 | 76% | 0.759 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.8 | 178.2 | -53 | 174.1 | 0 | 0 | 0 | 107.1 | P96 | P96-I98 PolarHBondContact O-N 3.18Š|
| 99 | P | 82.8 | Confident | 78.3 | Confident | 98 Ų | 98 | 105 Ų | 105 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 152.3 | 173.7 | 25.9 | -32.9 | 0 | 0 | 0 | 110 | P97 L101 | P97-P99 WeakPolarHBondContact O-CD 3.49Å; P99-L101 PolarHBondContact O-N 3.32Å |
| 100 | P | 85.7 | Confident | 77.8 | Confident | 126 Ų | 126 | 112.1 Ų | 112.1 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 134.3 | 177.2 | 23 | -32.3 | 0 | 0 | 0 | 110.2 | ||
| 101 | L | 80.1 | Confident | 77.3 | Confident | 152 Ų | 152 | 116.8 Ų | 116.8 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.1 | 176 | -84.9 | 81.2 | 0 | 0 | 0 | 109.6 | P99 | P99-L101 PolarHBondContact O-N 3.32Š|
| 102 | P | 80.7 | Confident | 77.4 | Confident | 105 Ų | 105 | 116 Ų | 116 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 156.2 | 171.9 | 28.2 | -34.1 | 0 | 0 | 0 | 110.5 | V104 | P102-V104 PolarHBondContact O-N 3.17Å; P102-V104 VanDerWaalsContact O-N 3.17Å |
| 103 | P | 81.3 | Confident | 77.9 | Confident | 130 Ų | 130 | 114.7 Ų | 114.7 | 84% | 0.844 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58 | 124.3 | 172.8 | 25.3 | -33.1 | 0 | 0 | 0 | 109.3 | S105 | P103-S105 PolarHBondContact O-N 3.45Š|
| 104 | V | 80.2 | Confident | 79 | Confident | 123 Ų | 123 | 111.2 Ų | 111.2 | 75% | 0.745 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 119.4 | 172.8 | 45.3 | 0 | 0 | 0 | 0 | 108.5 | P102 L107 | P102-V104 PolarHBondContact O-N 3.17Å; P102-V104 VanDerWaalsContact O-N 3.17Å; V104-L107 HydrophobicContact CG2-CD1 4.49Å |
| 105 | S | 78.7 | Confident | 80.3 | Confident | 96 Ų | 96 | 113 Ų | 113 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 143.7 | 164.5 | -61.2 | 0 | 0 | 0 | 0 | 109.1 | P103 L107 | P103-S105 PolarHBondContact O-N 3.45Å; S105-L107 PolarHBondContact O-N 3.15Å; S105-L107 VanDerWaalsContact O-N 3.15Å |
| 106 | P | 77.8 | Confident | 81.4 | Confident | 124 Ų | 124 | 108 Ų | 108 | 81% | 0.805 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -51 | 126.7 | 171.9 | -22.8 | 31.9 | 0 | 0 | 0 | 109.2 | ||
| 107 | L | 71.5 | Confident | 82.4 | Confident | 148 Ų | 148 | 105.3 Ų | 105.3 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140.1 | 174 | -101.9 | 75.8 | 0 | 0 | 0 | 108.4 | V104 S105 | V104-L107 HydrophobicContact CG2-CD1 4.49Å; S105-L107 PolarHBondContact O-N 3.15Å; S105-L107 VanDerWaalsContact O-N 3.15Å |
| 108 | P | 72.3 | Confident | 83 | Confident | 108 Ų | 108 | 105 Ų | 105 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 146.2 | 168.8 | 25.9 | -33.2 | 0 | 0 | 0 | 108.9 | L110 | P108-L110 PolarHBondContact O-N 3.29Š|
| 109 | P | 71.8 | Confident | 83.4 | Confident | 84 Ų | 84 | 100.7 Ų | 100.7 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 127.8 | 177.2 | -17.2 | 27.3 | 0 | 0 | 0 | 110.1 | D137 | P109-D137 WeakPolarHBondContact CB-OD2 3.29Š|
| 110 | L | 76.9 | Confident | 83.8 | Confident | 149 Ų | 149 | 102 Ų | 102 | 78% | 0.78 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 128.8 | 177.9 | -171.7 | 73.3 | 0 | 0 | 0 | 108.3 | P108 K112 | P108-L110 PolarHBondContact O-N 3.29Å; L110-K112 PolarHBondContact O-N 3.2Å |
| 111 | P | 78.7 | Confident | 83.8 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 65% | 0.649 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.7 | 179.1 | 22.5 | -32.3 | 0 | 0 | 0 | 110.2 | ||
| 112 | K | 87.1 | Confident | 84.1 | Confident | 29 Ų | 29 | 96.7 Ų | 96.7 | 13% | 0.126 | 59% | 0.586 | C | S | . | * | P | Polyproline II helix | trans | -65 | 141.5 | 179.6 | -65.5 | -176.3 | -171 | 179 | 0 | 110.3 | L110 D136 C139 L141 R143 K144 | L110-K112 PolarHBondContact O-N 3.2Å; K112-D136 HydrophobicContact CB-CB 4.27Å; K112-D136 HydrophobicContact CD-CB 3.87Å; K112-D136 WeakPolarHBondContact CE-O 3.23Å; K112-D136 HydrophobicContact CG-CB 3.94Å; K112-D136 PolarHBondContact NZ-O 3.02Å; K112-C139 PolarHBondContact NZ-O 2.95Å; K112-L141 WeakPolarHBondContact CE-O 3.22Å; K112-L141 PolarHBondContact NZ-O 2.03Å; K112-R143 WeakPolarHBondContact CD-O 2.96Å; K112-R143 PolarHBondContact NZ-O 2.67Å; K112-K144 HydrophobicContact CB-CG 4.16Å; K112-K144 PolarHBondContact O-NZ 2.78Å |
| 113 | P | 89.3 | Confident | 84.5 | Confident | 104 Ų | 104 | 97 Ų | 97 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -64.9 | 155.4 | -177.4 | 26.8 | -35 | 0 | 0 | 0 | 112.8 | P157 | P113-P157 WeakPolarHBondContact O-CB 2.89Å; P113-P157 WeakPolarHBondContact O-CG 3.36Å |
| 114 | G | 92.4 | Very high | 84.6 | Confident | 26 Ų | 26 | 95 Ų | 95 | 27% | 0.268 | 60% | 0.6 | S | S | . | * | S | Bend | trans | 84.5 | 179.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K144 I158 | G114-K144 WeakPolarHBondContact O-CD 3.49Å; G114-K144 WeakPolarHBondContact O-CE 3.5Å; G114-I158 CarbonylContact C-O 3.53Å; G114-I158 WeakPolarHBondContact CA-O 3.38Å |
| 115 | F | 94.3 | Very high | 84.7 | Confident | 144 Ų | 144 | 93.3 Ų | 93.3 | 63% | 0.632 | 58% | 0.58 | S | S | * | * | B | Isolated β-bridge | trans | -116.5 | 155.5 | -173 | -61.2 | -83.3 | 0 | 0 | 0 | 112.3 | P157 I158 | F115-P157 CarbonylContact O-C 3.58Å; F115-P157 WeakPolarHBondContact O-CA 3.48Å; F115-I158 HydrophobicContact CB-CG1 4.15Å; F115-I158 PolarHBondContact N-O 3.37Å; F115-I158 WeakPolarHBondContact O-CG1 3.13Å; F115-I158 PolarHBondContact O-N 3.14Å |
| 116 | C | 95.2 | Very high | 84.9 | Confident | 47 Ų | 47 | 95.7 Ų | 95.7 | 32% | 0.318 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 142.3 | 170.7 | -71.2 | 0 | 0 | 0 | 0 | 110.8 | C146 | C116-C146 WeakPolarHBondContact CA-SG 3.17Å; C116-C146 HydrophobicContact CB-CB 3.67Å; C116-C146 WeakPolarHBondContact CB-SG 2.99Å; C116-C146 WeakPolarHBondContact SG-CA 3.01Å; C116-C146 WeakPolarHBondContact SG-CB 3.01Å; C116-C146 CovalentContact SG-SG 2.03Å; C116-C146 PolarHBondContact SG-SG 3.45Å |
| 117 | P | 93.3 | Very high | 85 | Confident | 47 Ų | 47 | 94.4 Ų | 94.4 | 31% | 0.305 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 145.1 | 170.1 | -23.2 | 32.6 | 0 | 0 | 0 | 111.4 | L119 L155 I158 | P117-L119 PolarHBondContact O-N 2.82Å; P117-L155 HydrophobicContact CG-CD1 4.18Å; P117-I158 HydrophobicContact CG-CG2 4.41Å |
| 118 | P | 91.6 | Very high | 85.3 | Confident | 117 Ų | 117 | 96 Ų | 96 | 76% | 0.76 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 135.3 | 179 | 26.8 | -34.2 | 0 | 0 | 0 | 111 | ||
| 119 | L | 88.8 | Confident | 85.9 | Confident | 58 Ų | 58 | 94.2 Ų | 94.2 | 30% | 0.304 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 124.5 | 176.1 | -175.8 | 67.5 | 0 | 0 | 0 | 109.9 | P117 I121 I147 L149 | P117-L119 PolarHBondContact O-N 2.82Å; L119-I121 HydrophobicContact CD2-CD1 4.2Å; L119-I121 HydrophobicContact CD2-CG1 3.94Å; L119-I121 HydrophobicContact CG-CG1 4.05Å; L119-I147 HydrophobicContact CD2-CB 4.41Å; L119-I147 HydrophobicContact CD2-CD1 4.08Å; L119-I147 HydrophobicContact CD2-CG1 4.13Å; L119-L149 HydrophobicContact CD1-CD2 4.21Å; L119-L149 HydrophobicContact CD1-CG 4.02Å |
| 120 | T | 91.2 | Very high | 86.7 | Confident | 125 Ų | 125 | 98.5 Ų | 98.5 | 77% | 0.767 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 117.6 | 168.7 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 121 | I | 86.7 | Confident | 87.6 | Confident | 96 Ų | 96 | 93.7 Ų | 93.7 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -96 | 123.6 | -178.5 | -56.6 | 177.4 | 0 | 0 | 0 | 109.2 | L119 W125 L149 | L119-I121 HydrophobicContact CD2-CD1 4.2Å; L119-I121 HydrophobicContact CD2-CG1 3.94Å; L119-I121 HydrophobicContact CG-CG1 4.05Å; I121-W125 HydrophobicContact CG2-CB 3.6Å; I121-W125 HydrophobicContact CG2-CD2 4.19Å; I121-W125 HydrophobicContact CG2-CE3 3.8Å; I121-W125 HydrophobicContact CG2-CG 4.14Å; I121-L149 HydrophobicContact CG1-CD2 4.35Å; I121-L149 HydrophobicContact CG2-CD2 4.48Å |
| 122 | P | 86.4 | Confident | 88.4 | Confident | 70 Ų | 70 | 94.3 Ų | 94.3 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 151.2 | 175.4 | 23.1 | -25.1 | 0 | 0 | 0 | 111.4 | G124 W125 | P122-G124 PolarHBondContact O-N 3.16Å; P122-W125 HydrophobicContact CG-CB 3.97Å; P122-W125 HydrophobicContact CG-CG 4.16Å; P122-W125 WeakPolarHBondContact O-CB 3.15Å; P122-W125 PolarHBondContact O-N 3.43Å; P122-W125 VanDerWaalsContact O-N 3.14Å |
| 123 | A | 87.9 | Confident | 88.7 | Confident | 113 Ų | 113 | 93.2 Ų | 93.2 | 93% | 0.934 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 132.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | W125 | A123-W125 VanDerWaalsContact C-N 3.33Š|
| 124 | G | 84.4 | Confident | 88.9 | Confident | 87 Ų | 87 | 94.4 Ų | 94.4 | 90% | 0.897 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 11.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P122 | P122-G124 PolarHBondContact O-N 3.16Š|
| 125 | W | 83 | Confident | 88.9 | Confident | 87 Ų | 87 | 97.4 Ų | 97.4 | 33% | 0.33 | 54% | 0.536 | S | S | . | . | trans | -75.6 | 132.3 | 175.9 | -165.7 | 77 | 0 | 0 | 0 | 111.7 | I121 P122 A123 K127 L149 | I121-W125 HydrophobicContact CG2-CB 3.6Å; I121-W125 HydrophobicContact CG2-CD2 4.19Å; I121-W125 HydrophobicContact CG2-CE3 3.8Å; I121-W125 HydrophobicContact CG2-CG 4.14Å; P122-W125 HydrophobicContact CG-CB 3.97Å; P122-W125 HydrophobicContact CG-CG 4.16Å; P122-W125 WeakPolarHBondContact O-CB 3.15Å; P122-W125 PolarHBondContact O-N 3.43Å; P122-W125 VanDerWaalsContact O-N 3.14Å; A123-W125 VanDerWaalsContact C-N 3.33Å; W125-K127 HydrophobicContact CH2-CB 3.83Å; W125-K127 HydrophobicContact CH2-CG 4.23Å; W125-K127 HydrophobicContact CZ3-CB 4.01Å; W125-L149 HydrophobicContact CD2-CD2 3.69Å; W125-L149 HydrophobicContact CE3-CD2 3.92Å; W125-L149 HydrophobicContact CG-CD2 4.19Å; W125-L149 HydrophobicContact CH2-CB 4.41Å; W125-L149 HydrophobicContact CH2-CD2 4.41Å; W125-L149 VanDerWaalsContact CZ2-CA 3.47Å; W125-L149 HydrophobicContact CZ2-CB 3.96Å; W125-L149 HydrophobicContact CZ2-CD2 4.28Å; W125-L149 WeakPolarHBondContact CZ2-O 3.47Å; W125-L149 HydrophobicContact CZ3-CD2 4.23Å | ||
| 126 | E | 82.9 | Confident | 88.8 | Confident | 146 Ų | 146 | 91.8 Ų | 91.8 | 68% | 0.682 | 51% | 0.513 | S | S | * | . | trans | -126.3 | 134.8 | 176.2 | -164.1 | -177.1 | 90.6 | 0 | 0 | 108.8 | K128 | E126-K128 PolarHBondContact O-N 2.65Å; E126-K128 VanDerWaalsContact O-N 3.14Å | ||
| 127 | K | 79 | Confident | 88.6 | Confident | 98 Ų | 98 | 93.4 Ų | 93.4 | 43% | 0.426 | 52% | 0.518 | S | S | . | . | trans | -67.7 | 109 | -178.8 | -179.7 | -175.6 | 174 | 179 | 0 | 110.1 | W125 D131 | W125-K127 HydrophobicContact CH2-CB 3.83Å; W125-K127 HydrophobicContact CH2-CG 4.23Å; W125-K127 HydrophobicContact CZ3-CB 4.01Å; K127-D131 WeakPolarHBondContact CE-OD1 3.42Å; K127-D131 IonicContact NZ-OD1 2.69Å; K127-D131 PolarHBondContact NZ-OD1 3.14Å; K127-D131 IonicContact NZ-OD2 2.67Å; K127-D131 PolarHBondContact NZ-OD2 3.33Å | ||
| 128 | K | 77.9 | Confident | 88.6 | Confident | 180 Ų | 180 | 95.3 Ų | 95.3 | 78% | 0.783 | 53% | 0.526 | S | S | * | . | trans | -101.1 | -17.6 | 176.7 | -72.4 | -177.6 | 178.3 | 175.3 | 0 | 114.1 | E126 | E126-K128 PolarHBondContact O-N 2.65Å; E126-K128 VanDerWaalsContact O-N 3.14Å | ||
| 129 | D | 85.5 | Confident | 88.7 | Confident | 71 Ų | 71 | 90 Ų | 90 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -95.9 | 150.1 | -173.1 | -70.8 | -87 | 0 | 0 | 0 | 113.1 | L150 | D129-L150 HydrophobicContact CB-CB 4.39Å; D129-L150 WeakPolarHBondContact CB-O 3.34Å; D129-L150 WeakPolarHBondContact OD2-CD2 3Å |
| 130 | K | 89.1 | Confident | 88.9 | Confident | 175 Ų | 175 | 91.1 Ų | 91.1 | 76% | 0.761 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 141.3 | 178.1 | -168.6 | -178.3 | 175.3 | -178.4 | 0 | 111.1 | ||
| 131 | D | 94.7 | Very high | 88.8 | Confident | 47 Ų | 47 | 92.5 Ų | 92.5 | 25% | 0.251 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 136.9 | 170.7 | -62.6 | -39.3 | 0 | 0 | 0 | 111.3 | K127 G151 N152 | K127-D131 WeakPolarHBondContact CE-OD1 3.42Å; K127-D131 IonicContact NZ-OD1 2.69Å; K127-D131 PolarHBondContact NZ-OD1 3.14Å; K127-D131 IonicContact NZ-OD2 2.67Å; K127-D131 PolarHBondContact NZ-OD2 3.33Å; D131-G151 WeakPolarHBondContact OD1-CA 3.45Å; D131-N152 HydrophobicContact CB-CB 3.88Å; D131-N152 WeakPolarHBondContact OD1-CB 3.44Å; D131-N152 VanDerWaalsContact OD1-CG 3.26Å; D131-N152 PolarHBondContact OD1-N 2.75Å |
| 132 | L | 94.7 | Very high | 88.9 | Confident | 113 Ų | 113 | 90.6 Ų | 90.6 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -102.5 | -3.7 | 174.7 | -65.2 | -163.7 | 0 | 0 | 0 | 113.6 | N152 | L132-N152 PolarHBondContact N-O 2.67Š|
| 133 | C | 95.3 | Very high | 89.3 | Confident | 6 Ų | 6 | 92 Ų | 92 | 4% | 0.041 | 50% | 0.499 | C | S | . | . | trans | -154.8 | 153.7 | 175.4 | 59.2 | 0 | 0 | 0 | 0 | 108.7 | D138 C145 N152 | C133-D138 HydrophobicContact CB-CB 3.78Å; C133-C145 HydrophobicContact CB-CB 3.78Å; C133-C145 WeakPolarHBondContact CB-SG 3.41Å; C133-C145 PolarHBondContact O-SG 2.94Å; C133-C145 WeakPolarHBondContact SG-CA 3.11Å; C133-C145 WeakPolarHBondContact SG-CB 3.4Å; C133-C145 CovalentContact SG-SG 2.04Å; C133-C145 PolarHBondContact SG-SG 2.03Å; C133-N152 WeakPolarHBondContact O-CB 3.41Å; C133-N152 PolarHBondContact O-ND2 3.24Å; C133-N152 VanDerWaalsContact O-ND2 3.12Å | ||
| 134 | D | 93.3 | Very high | 89.7 | Confident | 129 Ų | 129 | 88 Ų | 88 | 69% | 0.69 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -113.8 | -35.7 | 173.7 | -67 | -40.4 | 0 | 0 | 0 | 110.9 | D138 | D134-D138 PolarHBondContact N-OD2 2.87Š|
| 135 | I | 91.8 | Very high | 90.2 | Very high | 90 Ų | 90 | 84.9 Ų | 84.9 | 46% | 0.462 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -129.5 | 163.3 | 177.6 | 60.5 | 169.3 | 0 | 0 | 0 | 111.8 | D137 D138 C145 | I135-D137 HydrophobicContact CD1-CB 4.01Å; I135-D137 HydrophobicContact CG1-CB 4.34Å; I135-D137 PolarHBondContact O-N 3.2Å; I135-D138 PolarHBondContact N-OD2 2.85Å; I135-D138 WeakPolarHBondContact O-CB 3.24Å; I135-D138 PolarHBondContact O-N 2.98Å; I135-D138 VanDerWaalsContact O-N 3.14Å; I135-C145 WeakPolarHBondContact O-CB 3.27Å |
| 136 | D | 93.1 | Very high | 90.8 | Very high | 26 Ų | 26 | 80.8 Ų | 80.8 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -53.7 | -37.7 | 178.5 | -79.8 | -8.3 | 0 | 0 | 0 | 112.7 | K112 D138 C139 K144 C145 | K112-D136 HydrophobicContact CB-CB 4.27Å; K112-D136 HydrophobicContact CD-CB 3.87Å; K112-D136 WeakPolarHBondContact CE-O 3.23Å; K112-D136 HydrophobicContact CG-CB 3.94Å; K112-D136 PolarHBondContact NZ-O 3.02Å; D136-D138 VanDerWaalsContact C-N 3.27Å; D136-D138 PolarHBondContact O-N 2.9Å; D136-C139 VanDerWaalsContact O-CB 3.27Å; D136-C139 WeakPolarHBondContact O-CB 3.16Å; D136-C139 PolarHBondContact O-N 2.81Å; D136-K144 WeakPolarHBondContact OD1-CA 2.97Å; D136-K144 VanDerWaalsContact OD1-CB 3.23Å; D136-K144 WeakPolarHBondContact OD1-CB 3.36Å; D136-K144 IonicContact OD1-NZ 2.75Å; D136-K144 WeakPolarHBondContact OD2-CE 3.18Å; D136-K144 IonicContact OD2-NZ 2.72Å; D136-K144 PolarHBondContact OD2-NZ 3.14Å; D136-C145 PolarHBondContact OD1-N 3.12Å |
| 137 | D | 90.5 | Very high | 91.2 | Very high | 81 Ų | 81 | 79.1 Ų | 79.1 | 43% | 0.433 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -67.9 | -21.4 | -178 | -61.4 | -65.4 | 0 | 0 | 0 | 114.7 | P109 I135 C139 | P109-D137 WeakPolarHBondContact CB-OD2 3.29Å; I135-D137 HydrophobicContact CD1-CB 4.01Å; I135-D137 HydrophobicContact CG1-CB 4.34Å; I135-D137 PolarHBondContact O-N 3.2Å; D137-C139 PolarHBondContact O-N 2.65Å |
| 138 | D | 92.6 | Very high | 91.9 | Very high | 86 Ų | 86 | 75.7 Ų | 75.7 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -65.7 | -21.5 | 171.8 | -60.1 | -36.4 | 0 | 0 | 0 | 111.3 | C133 D134 I135 D136 | C133-D138 HydrophobicContact CB-CB 3.78Å; D134-D138 PolarHBondContact N-OD2 2.87Å; I135-D138 PolarHBondContact N-OD2 2.85Å; I135-D138 WeakPolarHBondContact O-CB 3.24Å; I135-D138 PolarHBondContact O-N 2.98Å; I135-D138 VanDerWaalsContact O-N 3.14Å; D136-D138 VanDerWaalsContact C-N 3.27Å; D136-D138 PolarHBondContact O-N 2.9Å |
| 139 | C | 94.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.034 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -89 | 137.5 | -178.6 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | K112 D136 D137 R143 C154 | K112-C139 PolarHBondContact NZ-O 2.95Å; D136-C139 VanDerWaalsContact O-CB 3.27Å; D136-C139 WeakPolarHBondContact O-CB 3.16Å; D136-C139 PolarHBondContact O-N 2.81Å; D137-C139 PolarHBondContact O-N 2.65Å; C139-R143 HydrophobicContact CB-CB 3.86Å; C139-R143 VanDerWaalsContact CB-O 3.29Å; C139-R143 WeakPolarHBondContact CB-O 3.35Å; C139-C154 WeakPolarHBondContact CA-SG 3.35Å; C139-C154 HydrophobicContact CB-CB 3.55Å; C139-C154 WeakPolarHBondContact CB-SG 2.87Å; C139-C154 WeakPolarHBondContact SG-CA 3.18Å; C139-C154 WeakPolarHBondContact SG-CB 3.11Å; C139-C154 CovalentContact SG-SG 2.03Å; C139-C154 PolarHBondContact SG-SG 2.81Å |
| 140 | P | 92 | Very high | 92.7 | Very high | 82 Ų | 82 | 71.2 Ų | 71.2 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -68.8 | 150.1 | 176.8 | 28.8 | -34.6 | 0 | 0 | 0 | 111.1 | R143 | P140-R143 WeakPolarHBondContact O-CB 3.42Å; P140-R143 PolarHBondContact O-N 2.85Å |
| 141 | L | 88.7 | Confident | 92.8 | Very high | 154 Ų | 154 | 63 Ų | 63 | 81% | 0.806 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | -148.4 | 175.3 | -51.8 | 170.5 | 0 | 0 | 0 | 111.9 | K112 R143 | K112-L141 WeakPolarHBondContact CE-O 3.22Å; K112-L141 PolarHBondContact NZ-O 2.03Å; L141-R143 PolarHBondContact O-N 2.98Å; L141-R143 VanDerWaalsContact O-N 3.16Å |
| 142 | A | 90 | Very high | 92.8 | Very high | 57 Ų | 57 | 62 Ų | 62 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 12.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P157 | A142-P157 WeakPolarHBondContact O-CD 3.43Å; A142-P157 WeakPolarHBondContact O-CG 3.38Å |
| 143 | R | 94.7 | Very high | 92.8 | Very high | 100 Ų | 100 | 60 Ų | 60 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | trans | -75.5 | 140.2 | -178.3 | -66.1 | 177.3 | -179.6 | -135.7 | 4.2 | 111 | K112 C139 P140 L141 C154 L155 L156 | K112-R143 WeakPolarHBondContact CD-O 2.96Å; K112-R143 PolarHBondContact NZ-O 2.67Å; C139-R143 HydrophobicContact CB-CB 3.86Å; C139-R143 VanDerWaalsContact CB-O 3.29Å; C139-R143 WeakPolarHBondContact CB-O 3.35Å; P140-R143 WeakPolarHBondContact O-CB 3.42Å; P140-R143 PolarHBondContact O-N 2.85Å; L141-R143 PolarHBondContact O-N 2.98Å; L141-R143 VanDerWaalsContact O-N 3.16Å; R143-C154 HydrophobicContact CB-CB 4.16Å; R143-C154 PolarHBondContact NH1-O 3.18Å; R143-L155 CarbonylContact C-O 3.6Å; R143-L155 VanDerWaalsContact CA-O 3.24Å; R143-L155 WeakPolarHBondContact CA-O 3.43Å; R143-L155 WeakPolarHBondContact CB-O 3.19Å; R143-L156 HydrophobicContact CG-CD2 4.09Å | ||
| 144 | K | 95 | Very high | 92.9 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 12% | 0.122 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 150.6 | 174.9 | -66.1 | -175.9 | 73.9 | 73.7 | 0 | 110.8 | K112 G114 D136 C146 C154 L155 P157 | K112-K144 HydrophobicContact CB-CG 4.16Å; K112-K144 PolarHBondContact O-NZ 2.78Å; G114-K144 WeakPolarHBondContact O-CD 3.49Å; G114-K144 WeakPolarHBondContact O-CE 3.5Å; D136-K144 WeakPolarHBondContact OD1-CA 2.97Å; D136-K144 VanDerWaalsContact OD1-CB 3.23Å; D136-K144 WeakPolarHBondContact OD1-CB 3.36Å; D136-K144 IonicContact OD1-NZ 2.75Å; D136-K144 WeakPolarHBondContact OD2-CE 3.18Å; D136-K144 IonicContact OD2-NZ 2.72Å; D136-K144 PolarHBondContact OD2-NZ 3.14Å; K144-C146 PolarHBondContact O-N 2.04Å; K144-C154 WeakPolarHBondContact O-CA 3.47Å; K144-L155 PolarHBondContact N-O 3.38Å; K144-L155 PolarHBondContact O-N 3Å; K144-P157 HydrophobicContact CD-CB 3.67Å; K144-P157 HydrophobicContact CD-CG 4.38Å; K144-P157 HydrophobicContact CG-CB 4.03Å; K144-P157 HydrophobicContact CG-CG 4.3Å |
| 145 | C | 95.6 | Very high | 93 | Very high | 21 Ų | 21 | 57.6 Ų | 57.6 | 14% | 0.142 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 109.8 | 171.9 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | C133 I135 D136 | C133-C145 HydrophobicContact CB-CB 3.78Å; C133-C145 WeakPolarHBondContact CB-SG 3.41Å; C133-C145 PolarHBondContact O-SG 2.94Å; C133-C145 WeakPolarHBondContact SG-CA 3.11Å; C133-C145 WeakPolarHBondContact SG-CB 3.4Å; C133-C145 CovalentContact SG-SG 2.04Å; C133-C145 PolarHBondContact SG-SG 2.03Å; I135-C145 WeakPolarHBondContact O-CB 3.27Å; D136-C145 PolarHBondContact OD1-N 3.12Å |
| 146 | C | 95.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.2 | -170.9 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | C116 K144 N152 R153 L155 | C116-C146 WeakPolarHBondContact CA-SG 3.17Å; C116-C146 HydrophobicContact CB-CB 3.67Å; C116-C146 WeakPolarHBondContact CB-SG 2.99Å; C116-C146 WeakPolarHBondContact SG-CA 3.01Å; C116-C146 WeakPolarHBondContact SG-CB 3.01Å; C116-C146 CovalentContact SG-SG 2.03Å; C116-C146 PolarHBondContact SG-SG 3.45Å; K144-C146 PolarHBondContact O-N 2.04Å; C146-N152 CarbonylContact O-C 3.54Å; C146-N152 WeakPolarHBondContact O-CA 3.41Å; C146-R153 PolarHBondContact N-O 2.69Å; C146-R153 PolarHBondContact O-N 2.86Å; C146-L155 HydrophobicContact CB-CB 4.22Å; C146-L155 HydrophobicContact CB-CD1 3.87Å; C146-L155 HydrophobicContact CB-CG 4.1Å |
| 147 | I | 92.7 | Very high | 93.2 | Very high | 111 Ų | 111 | 59.6 Ų | 59.6 | 57% | 0.569 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 137.3 | 172.1 | 54.8 | 168.3 | 0 | 0 | 0 | 110.9 | L119 N152 | L119-I147 HydrophobicContact CD2-CB 4.41Å; L119-I147 HydrophobicContact CD2-CD1 4.08Å; L119-I147 HydrophobicContact CD2-CG1 4.13Å; I147-N152 WeakPolarHBondContact CG2-OD1 3.4Å |
| 148 | T | 92.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 16% | 0.16 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 172 | 173.5 | 75.5 | 0 | 0 | 0 | 0 | 110.5 | L150 G151 R153 L155 | T148-L150 PolarHBondContact O-N 3.26Å; T148-L150 PolarHBondContact OG1-N 2.62Å; T148-G151 WeakPolarHBondContact CB-O 3.35Å; T148-G151 PolarHBondContact N-O 2.97Å; T148-G151 PolarHBondContact O-N 2.98Å; T148-G151 VanDerWaalsContact O-N 3.15Å; T148-G151 PolarHBondContact OG1-O 3.02Å; T148-R153 HydrophobicContact CG2-CB 3.95Å; T148-R153 HydrophobicContact CG2-CG 4.01Å; T148-L155 HydrophobicContact CG2-CD1 3.83Å; T148-L155 HydrophobicContact CG2-CG 4.42Å |
| 149 | L | 90.3 | Very high | 92.9 | Very high | 62 Ų | 62 | 62.7 Ų | 62.7 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 3.2 | 168.6 | -59 | -178.7 | 0 | 0 | 0 | 113.3 | L119 I121 W125 | L119-L149 HydrophobicContact CD1-CD2 4.21Å; L119-L149 HydrophobicContact CD1-CG 4.02Å; I121-L149 HydrophobicContact CG1-CD2 4.35Å; I121-L149 HydrophobicContact CG2-CD2 4.48Å; W125-L149 HydrophobicContact CD2-CD2 3.69Å; W125-L149 HydrophobicContact CE3-CD2 3.92Å; W125-L149 HydrophobicContact CG-CD2 4.19Å; W125-L149 HydrophobicContact CH2-CB 4.41Å; W125-L149 HydrophobicContact CH2-CD2 4.41Å; W125-L149 VanDerWaalsContact CZ2-CA 3.47Å; W125-L149 HydrophobicContact CZ2-CB 3.96Å; W125-L149 HydrophobicContact CZ2-CD2 4.28Å; W125-L149 WeakPolarHBondContact CZ2-O 3.47Å; W125-L149 HydrophobicContact CZ3-CD2 4.23Å |
| 150 | L | 90 | Very high | 92.8 | Very high | 96 Ų | 96 | 65.6 Ų | 65.6 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 29 | 174.6 | -62.1 | 172.1 | 0 | 0 | 0 | 110.8 | D129 T148 R153 | D129-L150 HydrophobicContact CB-CB 4.39Å; D129-L150 WeakPolarHBondContact CB-O 3.34Å; D129-L150 WeakPolarHBondContact OD2-CD2 3Å; T148-L150 PolarHBondContact O-N 3.26Å; T148-L150 PolarHBondContact OG1-N 2.62Å; L150-R153 PolarHBondContact O-NE 3.15Å; L150-R153 PolarHBondContact O-NH2 3.01Å |
| 151 | G | 91.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.1 | -167 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D131 T148 | D131-G151 WeakPolarHBondContact OD1-CA 3.45Å; T148-G151 WeakPolarHBondContact CB-O 3.35Å; T148-G151 PolarHBondContact N-O 2.97Å; T148-G151 PolarHBondContact O-N 2.98Å; T148-G151 VanDerWaalsContact O-N 3.15Å; T148-G151 PolarHBondContact OG1-O 3.02Å |
| 152 | N | 95.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 14% | 0.139 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 128.9 | -179 | -64.3 | -14.5 | 0 | 0 | 0 | 111.1 | D131 L132 C133 C146 I147 | D131-N152 HydrophobicContact CB-CB 3.88Å; D131-N152 WeakPolarHBondContact OD1-CB 3.44Å; D131-N152 VanDerWaalsContact OD1-CG 3.26Å; D131-N152 PolarHBondContact OD1-N 2.75Å; L132-N152 PolarHBondContact N-O 2.67Å; C133-N152 WeakPolarHBondContact O-CB 3.41Å; C133-N152 PolarHBondContact O-ND2 3.24Å; C133-N152 VanDerWaalsContact O-ND2 3.12Å; C146-N152 CarbonylContact O-C 3.54Å; C146-N152 WeakPolarHBondContact O-CA 3.41Å; I147-N152 WeakPolarHBondContact CG2-OD1 3.4Å |
| 153 | R | 95.2 | Very high | 93.3 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.6 | -179.2 | -57.3 | -66.1 | 169.4 | 152.9 | -3.8 | 110.6 | C146 T148 L150 L155 | C146-R153 PolarHBondContact N-O 2.69Å; C146-R153 PolarHBondContact O-N 2.86Å; T148-R153 HydrophobicContact CG2-CB 3.95Å; T148-R153 HydrophobicContact CG2-CG 4.01Å; L150-R153 PolarHBondContact O-NE 3.15Å; L150-R153 PolarHBondContact O-NH2 3.01Å; R153-L155 HydrophobicContact CB-CD2 4.42Å; R153-L155 PolarHBondContact O-N 3.14Å |
| 154 | C | 96.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 99.3 | 176.4 | -62 | 0 | 0 | 0 | 0 | 111.4 | C139 R143 K144 | C139-C154 WeakPolarHBondContact CA-SG 3.35Å; C139-C154 HydrophobicContact CB-CB 3.55Å; C139-C154 WeakPolarHBondContact CB-SG 2.87Å; C139-C154 WeakPolarHBondContact SG-CA 3.18Å; C139-C154 WeakPolarHBondContact SG-CB 3.11Å; C139-C154 CovalentContact SG-SG 2.03Å; C139-C154 PolarHBondContact SG-SG 2.81Å; R143-C154 HydrophobicContact CB-CB 4.16Å; R143-C154 PolarHBondContact NH1-O 3.18Å; K144-C154 WeakPolarHBondContact O-CA 3.47Å |
| 155 | L | 95.8 | Very high | 93 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.288 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 153.4 | -179.4 | -59.6 | -174.1 | 0 | 0 | 0 | 111.2 | P117 R143 K144 C146 T148 R153 | P117-L155 HydrophobicContact CG-CD1 4.18Å; R143-L155 CarbonylContact C-O 3.6Å; R143-L155 VanDerWaalsContact CA-O 3.24Å; R143-L155 WeakPolarHBondContact CA-O 3.43Å; R143-L155 WeakPolarHBondContact CB-O 3.19Å; K144-L155 PolarHBondContact N-O 3.38Å; K144-L155 PolarHBondContact O-N 3Å; C146-L155 HydrophobicContact CB-CB 4.22Å; C146-L155 HydrophobicContact CB-CD1 3.87Å; C146-L155 HydrophobicContact CB-CG 4.1Å; T148-L155 HydrophobicContact CG2-CD1 3.83Å; T148-L155 HydrophobicContact CG2-CG 4.42Å; R153-L155 HydrophobicContact CB-CD2 4.42Å; R153-L155 PolarHBondContact O-N 3.14Å |
| 156 | L | 94.2 | Very high | 92.9 | Very high | 121 Ų | 121 | 62.1 Ų | 62.1 | 63% | 0.634 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 129.3 | 168 | -72.7 | 170.3 | 0 | 0 | 0 | 108.5 | R143 | R143-L156 HydrophobicContact CG-CD2 4.09Š|
| 157 | P | 94.1 | Very high | 92.7 | Very high | 37 Ų | 37 | 66.8 Ų | 66.8 | 24% | 0.24 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 148.3 | 176.5 | 27.9 | -33.4 | 0 | 0 | 0 | 111.3 | P113 F115 A142 K144 | P113-P157 WeakPolarHBondContact O-CB 2.89Å; P113-P157 WeakPolarHBondContact O-CG 3.36Å; F115-P157 CarbonylContact O-C 3.58Å; F115-P157 WeakPolarHBondContact O-CA 3.48Å; A142-P157 WeakPolarHBondContact O-CD 3.43Å; A142-P157 WeakPolarHBondContact O-CG 3.38Å; K144-P157 HydrophobicContact CD-CB 3.67Å; K144-P157 HydrophobicContact CD-CG 4.38Å; K144-P157 HydrophobicContact CG-CB 4.03Å; K144-P157 HydrophobicContact CG-CG 4.3Å |
| 158 | I | 92.2 | Very high | 92.7 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 43% | 0.431 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -86.9 | 148.3 | 165.3 | 59.9 | 172.5 | 0 | 0 | 0 | 109.5 | G114 F115 P117 | G114-I158 CarbonylContact C-O 3.53Å; G114-I158 WeakPolarHBondContact CA-O 3.38Å; F115-I158 HydrophobicContact CB-CG1 4.15Å; F115-I158 PolarHBondContact N-O 3.37Å; F115-I158 WeakPolarHBondContact O-CG1 3.13Å; F115-I158 PolarHBondContact O-N 3.14Å; P117-I158 HydrophobicContact CG-CG2 4.41Å |
| 159 | A | 85 | Confident | 92.7 | Very high | 149 Ų | 149 | 66.5 Ų | 66.5 | 100% | 1.231 | 39% | 0.389 | S | S | * | . | trans | -73.4 | 0 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 |
Retrieved 159 of 159 residues in 26.7 ms
(Link to these results)