| 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 | 40.1 | Very low | 48.8 | Very low | 243 Ų | 243 | 115.9 Ų | 115.9 | 100% | 1.197 | 83% | 0.829 | S | S | * | * | 0 | 128.2 | 0 | -63.3 | -57.3 | 177.4 | 0 | 0 | 107.8 | |||||
| 2 | A | 39.2 | Very low | 48.8 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -72.3 | 159.3 | -163 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3 | A | 53.6 | Low | 49.3 | Very low | 89 Ų | 89 | 111.2 Ų | 111.2 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -57.9 | 167 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 4 | P | 46.6 | Very low | 49.4 | Very low | 128 Ų | 128 | 112.8 Ų | 112.8 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | -124.7 | 118.2 | 117.3 | 32.6 | -29.7 | 0 | 0 | 0 | 113.6 | A6 | P4-A6 PolarHBondContact O-N 3.33Š| |||
| 5 | A | 49.9 | Very low | 49.3 | Very low | 86 Ų | 86 | 122.5 Ų | 122.5 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -73.5 | 112 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | V7 | A5-V7 PolarHBondContact O-N 3.26Š| ||
| 6 | A | 48.5 | Very low | 49.7 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -70.4 | 107.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P4 A8 | P4-A6 PolarHBondContact O-N 3.33Å; A6-A8 PolarHBondContact O-N 3.19Å | ||
| 7 | V | 53.7 | Low | 50.3 | Low | 134 Ų | 134 | 120.9 Ų | 120.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 114.9 | 174 | -50.3 | 0 | 0 | 0 | 0 | 107.8 | A5 G9 | A5-V7 PolarHBondContact O-N 3.26Å; V7-G9 PolarHBondContact O-N 3.42Å | ||
| 8 | A | 53.4 | Low | 51.1 | Low | 97 Ų | 97 | 121.6 Ų | 121.6 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 125.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | A6 A10 | A6-A8 PolarHBondContact O-N 3.19Å; A8-A10 PolarHBondContact O-N 2.82Å |
| 9 | G | 44.9 | Very low | 52.3 | Low | 70 Ų | 70 | 120.1 Ų | 120.1 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 130.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V7 | V7-G9 PolarHBondContact O-N 3.42Š|
| 10 | A | 56.9 | Low | 53.7 | Low | 92 Ų | 92 | 117.6 Ų | 117.6 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 125.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.3 | A8 G12 | A8-A10 PolarHBondContact O-N 2.82Å; A10-G12 PolarHBondContact O-N 3.12Å; A10-G12 VanDerWaalsContact O-N 3.17Å |
| 11 | P | 50.4 | Low | 55.1 | Low | 131 Ų | 131 | 114.2 Ų | 114.2 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.7 | 171.2 | 25.6 | -30.5 | 0 | 0 | 0 | 108.5 | ||
| 12 | G | 48.7 | Very low | 57.2 | Low | 68 Ų | 68 | 103.3 Ų | 103.3 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 141.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114 | A10 Q14 | A10-G12 PolarHBondContact O-N 3.12Å; A10-G12 VanDerWaalsContact O-N 3.17Å; G12-Q14 PolarHBondContact O-N 3.02Å |
| 13 | A | 55.4 | Low | 59.1 | Low | 103 Ų | 103 | 105.7 Ų | 105.7 | 85% | 0.851 | 68% | 0.679 | S | S | * | * | trans | -54.5 | 107 | 163 | 0 | 0 | 0 | 0 | 0 | 109.7 | R15 | A13-R15 PolarHBondContact O-N 3.39Å; A13-R15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | Q | 50.2 | Low | 60.2 | Low | 133 Ų | 133 | 108.1 Ų | 108.1 | 62% | 0.621 | 67% | 0.669 | S | S | * | * | trans | -72.8 | 101.3 | 169.5 | 43.3 | 161.3 | 40 | 0 | 0 | 109.2 | G12 G16 | G12-Q14 PolarHBondContact O-N 3.02Å; Q14-G16 VanDerWaalsContact C-N 3.32Å; Q14-G16 PolarHBondContact O-N 3.17Å | ||
| 15 | R | 48 | Very low | 61.4 | Low | 259 Ų | 259 | 111.1 Ų | 111.1 | 98% | 0.977 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -51.8 | 89.9 | 168.8 | -178.9 | 179.4 | 174.4 | -167.2 | -1 | 110.2 | A13 | A13-R15 PolarHBondContact O-N 3.39Å; A13-R15 VanDerWaalsContact O-N 3.12Å |
| 16 | G | 55.2 | Low | 62.8 | Low | 54 Ų | 54 | 110.7 Ų | 110.7 | 56% | 0.557 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 147.5 | 41.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q14 R18 | Q14-G16 VanDerWaalsContact C-N 3.32Å; Q14-G16 PolarHBondContact O-N 3.17Å; G16-R18 PolarHBondContact O-N 2.86Å |
| 17 | E | 59.8 | Low | 64.3 | Low | 164 Ų | 164 | 106.7 Ų | 106.7 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | trans | -60.7 | 102.8 | -177 | -62.7 | -178.1 | 105.8 | 0 | 0 | 108.7 | P19 | E17-P19 WeakPolarHBondContact O-CD 2.99Š| ||
| 18 | R | 64.8 | Low | 65.4 | Low | 132 Ų | 132 | 107.5 Ų | 107.5 | 50% | 0.498 | 64% | 0.642 | S | S | . | * | trans | -98.6 | 76.1 | 163.7 | -70.7 | 170.3 | 81.8 | 173.6 | 10.6 | 105.3 | G16 F20 K30 F31 A32 | G16-R18 PolarHBondContact O-N 2.86Å; R18-F20 PolarHBondContact O-N 2.76Å; R18-F20 VanDerWaalsContact O-N 3.12Å; R18-K30 HydrophobicContact CB-CB 3.75Å; R18-K30 PolarHBondContact NE-O 3.38Å; R18-K30 PolarHBondContact NH2-O 2.97Å; R18-F31 CarbonylContact C-O 3.32Å; R18-F31 WeakPolarHBondContact CA-O 3.18Å; R18-F31 VanDerWaalsContact CB-O 3.23Å; R18-F31 WeakPolarHBondContact CB-O 3.46Å; R18-A32 HydrophobicContact CG-CB 4.38Å | ||
| 19 | P | 74.7 | Confident | 66.7 | Low | 93 Ų | 93 | 108.6 Ų | 108.6 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | trans | -64.6 | -18.5 | -172.1 | 27.8 | -36.1 | 0 | 0 | 0 | 111.5 | E17 A21 | E17-P19 WeakPolarHBondContact O-CD 2.99Å; P19-A21 PolarHBondContact O-N 3.26Å | ||
| 20 | F | 80.6 | Confident | 68.6 | Low | 70 Ų | 70 | 109.9 Ų | 109.9 | 31% | 0.307 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 82.6 | -179.5 | -53.1 | -72.5 | 0 | 0 | 0 | 110.3 | R18 K30 F31 A32 L37 | R18-F20 PolarHBondContact O-N 2.76Å; R18-F20 VanDerWaalsContact O-N 3.12Å; F20-K30 CarbonylContact O-C 3.46Å; F20-K30 WeakPolarHBondContact O-CA 3.23Å; F20-F31 HydrophobicContact CB-CB 4.31Å; F20-F31 WeakPolarHBondContact CB-O 3.03Å; F20-F31 PolarHBondContact N-O 3.28Å; F20-F31 PolarHBondContact O-N 3.38Å; F20-A32 WeakPolarHBondContact CD2-O 3.36Å; F20-A32 WeakPolarHBondContact CE2-O 3.3Å; F20-L37 HydrophobicContact CB-CB 3.82Å; F20-L37 HydrophobicContact CB-CD2 3.71Å; F20-L37 HydrophobicContact CB-CG 4.27Å; F20-L37 HydrophobicContact CD1-CD2 4.47Å |
| 21 | A | 81.9 | Confident | 69.9 | Low | 47 Ų | 47 | 106.8 Ų | 106.8 | 39% | 0.388 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.9 | 146.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P19 K30 L37 | P19-A21 PolarHBondContact O-N 3.26Å; A21-K30 HydrophobicContact CB-CG 3.99Å; A21-L37 WeakPolarHBondContact O-CD1 3.34Å; A21-L37 WeakPolarHBondContact O-CD2 3.41Å |
| 22 | C | 83.8 | Confident | 71.5 | Confident | 14 Ų | 14 | 103.4 Ų | 103.4 | 10% | 0.095 | 57% | 0.566 | C | S | . | * | trans | -71 | 127.2 | 169.8 | -163.9 | 0 | 0 | 0 | 0 | 109.7 | W24 C27 K29 L37 H40 H41 H44 | C22-W24 PolarHBondContact O-N 3.43Å; C22-C27 HydrophobicContact CB-CB 4.42Å; C22-K29 VanDerWaalsContact CB-O 3.31Å; C22-K29 WeakPolarHBondContact CB-O 3.45Å; C22-K29 PolarHBondContact N-O 3.47Å; C22-L37 HydrophobicContact CB-CD1 4.23Å; C22-H40 VanDerWaalsContact SG-CD2 3.53Å; C22-H40 PolarHBondContact SG-NE2 3.12Å; C22-H40 VanDerWaalsContact SG-NE2 3.41Å; C22-H41 VanDerWaalsContact SG-CD2 3.59Å; C22-H44 PolarHBondContact SG-CD2 3.18Å; C22-H44 PolarHBondContact SG-NE2 2.73Å | ||
| 23 | D | 80.8 | Confident | 73.1 | Confident | 153 Ų | 153 | 107 Ų | 107 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | trans | -84.6 | -0.6 | 179.3 | -166.7 | -118 | 0 | 0 | 0 | 112.7 | Q25 | D23-Q25 PolarHBondContact O-N 2.6Š| ||
| 24 | W | 76.5 | Confident | 74.3 | Confident | 139 Ų | 139 | 105.4 Ų | 105.4 | 53% | 0.527 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -75.6 | 123.9 | -176.7 | -164.4 | -81.2 | 0 | 0 | 0 | 110.3 | C22 G26 C27 H44 T45 | C22-W24 PolarHBondContact O-N 3.43Å; W24-G26 PolarHBondContact O-N 2.97Å; W24-C27 HydrophobicContact CB-CB 4.11Å; W24-C27 WeakPolarHBondContact O-CB 3.41Å; W24-C27 PolarHBondContact O-N 3.39Å; W24-H44 HydrophobicContact CD2-CB 3.63Å; W24-H44 AromaticContact CD2-CG 3.83Å; W24-H44 HydrophobicContact CE3-CB 3.59Å; W24-H44 HydrophobicContact CG-CB 4.14Å; W24-H44 AromaticContact CG-CD2 3.87Å; W24-H44 AromaticContact CG-CG 3.77Å; W24-H44 HydrophobicContact CH2-CB 4.3Å; W24-H44 HydrophobicContact CZ2-CB 4.35Å; W24-H44 HydrophobicContact CZ3-CB 3.94Å; W24-T45 HydrophobicContact CZ3-CG2 4.46Å |
| 25 | Q | 72.3 | Confident | 75.7 | Confident | 191 Ų | 191 | 103.4 Ų | 103.4 | 89% | 0.893 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 122.6 | -178.6 | -160.3 | 169.1 | 41.6 | 0 | 0 | 110.7 | D23 | D23-Q25 PolarHBondContact O-N 2.6Š|
| 26 | G | 79.3 | Confident | 77.4 | Confident | 77 Ų | 77 | 93.1 Ų | 93.1 | 79% | 0.794 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 10.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | W24 | W24-G26 PolarHBondContact O-N 2.97Š|
| 27 | C | 79.2 | Confident | 78.8 | Confident | 19 Ų | 19 | 91.6 Ų | 91.6 | 13% | 0.128 | 48% | 0.477 | C | S | . | . | trans | -123.2 | 99.6 | 174.1 | -162.6 | 0 | 0 | 0 | 0 | 113.5 | C22 W24 K29 H40 H44 | C22-C27 HydrophobicContact CB-CB 4.42Å; W24-C27 HydrophobicContact CB-CB 4.11Å; W24-C27 WeakPolarHBondContact O-CB 3.41Å; W24-C27 PolarHBondContact O-N 3.39Å; C27-K29 PolarHBondContact O-N 2.91Å; C27-K29 VanDerWaalsContact O-N 3.1Å; C27-H40 PolarHBondContact SG-NE2 3.41Å; C27-H44 PolarHBondContact SG-CE1 3.34Å; C27-H44 PolarHBondContact SG-NE2 3.38Å | ||
| 28 | D | 77 | Confident | 79.8 | Confident | 152 Ų | 152 | 86.1 Ų | 86.1 | 81% | 0.813 | 46% | 0.46 | S | S | * | . | trans | -82.7 | 24.9 | -179.6 | -61.8 | -85.8 | 0 | 0 | 0 | 115 | ||||
| 29 | K | 81 | Confident | 80.5 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 52% | 0.517 | 46% | 0.458 | S | S | . | . | trans | -82.9 | 125.7 | -177.5 | -75.2 | 173.8 | 175.2 | 178.3 | 0 | 111 | C22 C27 F31 H40 | C22-K29 VanDerWaalsContact CB-O 3.31Å; C22-K29 WeakPolarHBondContact CB-O 3.45Å; C22-K29 PolarHBondContact N-O 3.47Å; C27-K29 PolarHBondContact O-N 2.91Å; C27-K29 VanDerWaalsContact O-N 3.1Å; K29-F31 HydrophobicContact CB-CE2 3.87Å; K29-F31 HydrophobicContact CB-CZ 4.02Å; K29-H40 VanDerWaalsContact CD-CE1 3.4Å; K29-H40 WeakPolarHBondContact CD-CE1 3.47Å | ||
| 30 | K | 83.5 | Confident | 81 | Confident | 97 Ų | 97 | 81.9 Ų | 81.9 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 157.2 | 173.8 | -54.6 | -176.1 | -179 | 178.4 | 0 | 110.2 | R18 F20 A21 | R18-K30 HydrophobicContact CB-CB 3.75Å; R18-K30 PolarHBondContact NE-O 3.38Å; R18-K30 PolarHBondContact NH2-O 2.97Å; F20-K30 CarbonylContact O-C 3.46Å; F20-K30 WeakPolarHBondContact O-CA 3.23Å; A21-K30 HydrophobicContact CB-CG 3.99Å |
| 31 | F | 84.9 | Confident | 80.9 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.1 | -179.4 | -60.5 | -88.2 | 0 | 0 | 0 | 110.7 | R18 F20 K29 R33 E36 L37 H40 | R18-F31 CarbonylContact C-O 3.32Å; R18-F31 WeakPolarHBondContact CA-O 3.18Å; R18-F31 VanDerWaalsContact CB-O 3.23Å; R18-F31 WeakPolarHBondContact CB-O 3.46Å; F20-F31 HydrophobicContact CB-CB 4.31Å; F20-F31 WeakPolarHBondContact CB-O 3.03Å; F20-F31 PolarHBondContact N-O 3.28Å; F20-F31 PolarHBondContact O-N 3.38Å; K29-F31 HydrophobicContact CB-CE2 3.87Å; K29-F31 HydrophobicContact CB-CZ 4.02Å; F31-R33 VanDerWaalsContact C-N 3.33Å; F31-E36 HydrophobicContact CB-CB 3.95Å; F31-E36 HydrophobicContact CD1-CB 3.69Å; F31-E36 HydrophobicContact CG-CB 4.03Å; F31-L37 HydrophobicContact CB-CB 4.32Å; F31-L37 HydrophobicContact CD2-CB 4Å; F31-L37 HydrophobicContact CD2-CD1 3.67Å; F31-L37 HydrophobicContact CD2-CG 4.49Å; F31-L37 HydrophobicContact CE2-CD1 4.05Å; F31-L37 HydrophobicContact CG-CB 4.39Å; F31-H40 HydrophobicContact CD2-CB 4.48Å; F31-H40 HydrophobicContact CE1-CB 4.17Å; F31-H40 HydrophobicContact CE2-CB 3.58Å; F31-H40 AromaticContact CE2-CD2 3.3Å; F31-H40 WeakPolarHBondContact CE2-CD2 3.4Å; F31-H40 AromaticContact CE2-CG 3.5Å; F31-H40 VanDerWaalsContact CE2-CG 3.5Å; F31-H40 HydrophobicContact CZ-CB 3.38Å; F31-H40 AromaticContact CZ-CD2 3.62Å; F31-H40 AromaticContact CZ-CG 3.34Å |
| 32 | A | 83.5 | Confident | 80.6 | Confident | 59 Ų | 59 | 83.9 Ų | 83.9 | 49% | 0.488 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -77.4 | -23.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R18 F20 | R18-A32 HydrophobicContact CG-CB 4.38Å; F20-A32 WeakPolarHBondContact CD2-O 3.36Å; F20-A32 WeakPolarHBondContact CE2-O 3.3Å |
| 33 | R | 83.7 | Confident | 80.2 | Confident | 144 Ų | 144 | 87.4 Ų | 87.4 | 54% | 0.543 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -130.1 | 152.2 | -179 | -60.3 | 175.9 | -87.4 | -166.7 | -11 | 112.7 | F31 D35 E36 L37 | F31-R33 VanDerWaalsContact C-N 3.33Å; R33-D35 WeakPolarHBondContact CB-OD1 3.39Å; R33-E36 HydrophobicContact CB-CG 4.4Å; R33-E36 IonicContact CZ-OE2 3.41Å; R33-E36 IonicContact NE-OE2 3.24Å; R33-E36 PolarHBondContact NE-OE2 2.77Å; R33-E36 IonicContact NH2-OE2 3.26Å; R33-E36 PolarHBondContact NH2-OE2 2.85Å; R33-E36 PolarHBondContact O-N 3.1Å; R33-L37 PolarHBondContact O-N 3.33Å |
| 34 | S | 78.9 | Confident | 80 | Confident | 69 Ų | 69 | 82.7 Ų | 82.7 | 48% | 0.483 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 179.8 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | E36 L37 A38 | S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.12Å; S34-L37 PolarHBondContact O-N 2.83Å; S34-A38 VanDerWaalsContact O-CB 3.3Å; S34-A38 WeakPolarHBondContact O-CB 3.47Å; S34-A38 PolarHBondContact O-N 2.85Å |
| 35 | D | 80.1 | Confident | 79.7 | Confident | 91 Ų | 91 | 79.5 Ų | 79.5 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 177.2 | 60.3 | -69.3 | 0 | 0 | 0 | 112.1 | R33 R39 | R33-D35 WeakPolarHBondContact CB-OD1 3.39Å; D35-R39 WeakPolarHBondContact O-CB 3.31Å; D35-R39 PolarHBondContact O-N 3.46Å |
| 36 | E | 83.7 | Confident | 79.4 | Confident | 43 Ų | 43 | 73 Ų | 73 | 20% | 0.201 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.5 | -43.4 | 175.9 | -66 | -179.8 | 77.6 | 0 | 0 | 111.4 | F31 R33 S34 R39 H40 | F31-E36 HydrophobicContact CB-CB 3.95Å; F31-E36 HydrophobicContact CD1-CB 3.69Å; F31-E36 HydrophobicContact CG-CB 4.03Å; R33-E36 HydrophobicContact CB-CG 4.4Å; R33-E36 IonicContact CZ-OE2 3.41Å; R33-E36 IonicContact NE-OE2 3.24Å; R33-E36 PolarHBondContact NE-OE2 2.77Å; R33-E36 IonicContact NH2-OE2 3.26Å; R33-E36 PolarHBondContact NH2-OE2 2.85Å; R33-E36 PolarHBondContact O-N 3.1Å; S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.12Å; E36-R39 PolarHBondContact O-N 3.48Å; E36-H40 WeakPolarHBondContact O-CB 3.3Å; E36-H40 PolarHBondContact O-N 2.93Å |
| 37 | L | 84.7 | Confident | 78.4 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 12% | 0.115 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.3 | -47 | 173.5 | 179.4 | 68.6 | 0 | 0 | 0 | 111.5 | F20 A21 C22 F31 R33 S34 R39 H40 H41 | F20-L37 HydrophobicContact CB-CB 3.82Å; F20-L37 HydrophobicContact CB-CD2 3.71Å; F20-L37 HydrophobicContact CB-CG 4.27Å; F20-L37 HydrophobicContact CD1-CD2 4.47Å; A21-L37 WeakPolarHBondContact O-CD1 3.34Å; A21-L37 WeakPolarHBondContact O-CD2 3.41Å; C22-L37 HydrophobicContact CB-CD1 4.23Å; F31-L37 HydrophobicContact CB-CB 4.32Å; F31-L37 HydrophobicContact CD2-CB 4Å; F31-L37 HydrophobicContact CD2-CD1 3.67Å; F31-L37 HydrophobicContact CD2-CG 4.49Å; F31-L37 HydrophobicContact CE2-CD1 4.05Å; F31-L37 HydrophobicContact CG-CB 4.39Å; R33-L37 PolarHBondContact O-N 3.33Å; S34-L37 PolarHBondContact O-N 2.83Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 2.84Å; L37-H40 CarbonylContact O-C 3.44Å; L37-H40 WeakPolarHBondContact O-CA 3.31Å; L37-H40 WeakPolarHBondContact O-CB 3.4Å; L37-H40 PolarHBondContact O-N 3.03Å; L37-H41 VanDerWaalsContact CD1-NE2 3.31Å; L37-H41 WeakPolarHBondContact CD1-NE2 3.27Å; L37-H41 PolarHBondContact O-N 3.33Å |
| 38 | A | 81.5 | Confident | 77.8 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 41% | 0.413 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S34 | S34-A38 VanDerWaalsContact O-CB 3.3Å; S34-A38 WeakPolarHBondContact O-CB 3.47Å; S34-A38 PolarHBondContact O-N 2.85Å |
| 39 | R | 78.9 | Confident | 77.5 | Confident | 120 Ų | 120 | 72.6 Ų | 72.6 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 172.7 | -174.8 | 178.5 | 66.4 | 172.4 | -1.3 | 111.6 | D35 E36 L37 R42 | D35-R39 WeakPolarHBondContact O-CB 3.31Å; D35-R39 PolarHBondContact O-N 3.46Å; E36-R39 PolarHBondContact O-N 3.48Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 2.84Å; R39-R42 WeakPolarHBondContact O-CB 3.46Å; R39-R42 PolarHBondContact O-N 3.1Å |
| 40 | H | 84.3 | Confident | 77.1 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 7% | 0.069 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 177.1 | 174.7 | 52.3 | 0 | 0 | 0 | 112.4 | C22 C27 K29 F31 E36 L37 R42 T43 H44 | C22-H40 VanDerWaalsContact SG-CD2 3.53Å; C22-H40 PolarHBondContact SG-NE2 3.12Å; C22-H40 VanDerWaalsContact SG-NE2 3.41Å; C27-H40 PolarHBondContact SG-NE2 3.41Å; K29-H40 VanDerWaalsContact CD-CE1 3.4Å; K29-H40 WeakPolarHBondContact CD-CE1 3.47Å; F31-H40 HydrophobicContact CD2-CB 4.48Å; F31-H40 HydrophobicContact CE1-CB 4.17Å; F31-H40 HydrophobicContact CE2-CB 3.58Å; F31-H40 AromaticContact CE2-CD2 3.3Å; F31-H40 WeakPolarHBondContact CE2-CD2 3.4Å; F31-H40 AromaticContact CE2-CG 3.5Å; F31-H40 VanDerWaalsContact CE2-CG 3.5Å; F31-H40 HydrophobicContact CZ-CB 3.38Å; F31-H40 AromaticContact CZ-CD2 3.62Å; F31-H40 AromaticContact CZ-CG 3.34Å; E36-H40 WeakPolarHBondContact O-CB 3.3Å; E36-H40 PolarHBondContact O-N 2.93Å; L37-H40 CarbonylContact O-C 3.44Å; L37-H40 WeakPolarHBondContact O-CA 3.31Å; L37-H40 WeakPolarHBondContact O-CB 3.4Å; L37-H40 PolarHBondContact O-N 3.03Å; H40-R42 PolarHBondContact O-N 2.74Å; H40-R42 VanDerWaalsContact O-N 3.1Å; H40-T43 PolarHBondContact ND1-OG1 3.46Å; H40-T43 WeakPolarHBondContact O-CB 3.48Å; H40-T43 PolarHBondContact O-N 3.4Å; H40-T43 PolarHBondContact O-OG1 3.19Å; H40-H44 AromaticContact CD2-NE2 3.96Å; H40-H44 AromaticContact CE1-CE1 3.83Å; H40-H44 AromaticContact CE1-NE2 3.35Å; H40-H44 PolarHBondContact CE1-NE2 3.33Å; H40-H44 AromaticContact NE2-CD2 3.89Å; H40-H44 AromaticContact NE2-CE1 3.91Å; H40-H44 AromaticContact NE2-NE2 3.07Å; H40-H44 PolarHBondContact NE2-NE2 2.91Å |
| 41 | H | 78.8 | Confident | 76.8 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 32% | 0.324 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56 | -32.3 | 176.5 | -73.9 | -174.5 | 0 | 0 | 0 | 112.9 | C22 L37 T43 H44 T45 | C22-H41 VanDerWaalsContact SG-CD2 3.59Å; L37-H41 VanDerWaalsContact CD1-NE2 3.31Å; L37-H41 WeakPolarHBondContact CD1-NE2 3.27Å; L37-H41 PolarHBondContact O-N 3.33Å; H41-T43 PolarHBondContact O-N 3.07Å; H41-H44 PolarHBondContact O-N 3.35Å; H41-H44 VanDerWaalsContact O-N 3.14Å; H41-T45 PolarHBondContact O-N 3.24Å |
| 42 | R | 75.8 | Confident | 76.5 | Confident | 90 Ų | 90 | 65.1 Ų | 65.1 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -17.8 | 175 | -61.2 | 176.4 | -174.9 | 174.6 | 3.9 | 113.8 | R39 H40 G46 | R39-R42 WeakPolarHBondContact O-CB 3.46Å; R39-R42 PolarHBondContact O-N 3.1Å; H40-R42 PolarHBondContact O-N 2.74Å; H40-R42 VanDerWaalsContact O-N 3.1Å; R42-G46 PolarHBondContact O-N 3.39Å |
| 43 | T | 76.3 | Confident | 76 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 54% | 0.54 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -77.6 | -29.1 | 175 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | H40 H41 | H40-T43 PolarHBondContact ND1-OG1 3.46Å; H40-T43 WeakPolarHBondContact O-CB 3.48Å; H40-T43 PolarHBondContact O-N 3.4Å; H40-T43 PolarHBondContact O-OG1 3.19Å; H41-T43 PolarHBondContact O-N 3.07Å |
| 44 | H | 76.4 | Confident | 75.7 | Confident | 53 Ų | 53 | 64 Ų | 64 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77.6 | -43.2 | 177.6 | -65.3 | -49.8 | 0 | 0 | 0 | 111.9 | C22 W24 C27 H40 H41 G46 | C22-H44 PolarHBondContact SG-CD2 3.18Å; C22-H44 PolarHBondContact SG-NE2 2.73Å; W24-H44 HydrophobicContact CD2-CB 3.63Å; W24-H44 AromaticContact CD2-CG 3.83Å; W24-H44 HydrophobicContact CE3-CB 3.59Å; W24-H44 HydrophobicContact CG-CB 4.14Å; W24-H44 AromaticContact CG-CD2 3.87Å; W24-H44 AromaticContact CG-CG 3.77Å; W24-H44 HydrophobicContact CH2-CB 4.3Å; W24-H44 HydrophobicContact CZ2-CB 4.35Å; W24-H44 HydrophobicContact CZ3-CB 3.94Å; C27-H44 PolarHBondContact SG-CE1 3.34Å; C27-H44 PolarHBondContact SG-NE2 3.38Å; H40-H44 AromaticContact CD2-NE2 3.96Å; H40-H44 AromaticContact CE1-CE1 3.83Å; H40-H44 AromaticContact CE1-NE2 3.35Å; H40-H44 PolarHBondContact CE1-NE2 3.33Å; H40-H44 AromaticContact NE2-CD2 3.89Å; H40-H44 AromaticContact NE2-CE1 3.91Å; H40-H44 AromaticContact NE2-NE2 3.07Å; H40-H44 PolarHBondContact NE2-NE2 2.91Å; H41-H44 PolarHBondContact O-N 3.35Å; H41-H44 VanDerWaalsContact O-N 3.14Å; H44-G46 PolarHBondContact O-N 3.47Å |
| 45 | T | 70.8 | Confident | 75.9 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -74.8 | -8.1 | 179.4 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | W24 H41 E47 | W24-T45 HydrophobicContact CZ3-CG2 4.46Å; H41-T45 PolarHBondContact O-N 3.24Å; T45-E47 PolarHBondContact O-N 3.08Å; T45-E47 WeakPolarHBondContact OG1-CG 3.41Å |
| 46 | G | 64.4 | Low | 75.6 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 56% | 0.557 | 35% | 0.346 | S | S | * | . | trans | 59.6 | 14 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R42 H44 K48 | R42-G46 PolarHBondContact O-N 3.39Å; H44-G46 PolarHBondContact O-N 3.47Å; G46-K48 VanDerWaalsContact C-N 3.31Å; G46-K48 PolarHBondContact O-N 3.48Å | ||
| 47 | E | 59.9 | Low | 75.4 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | trans | -70.8 | 85.8 | -174.7 | -79.6 | -159.6 | 118.9 | 0 | 0 | 110.4 | T45 R49 T88 | T45-E47 PolarHBondContact O-N 3.08Å; T45-E47 WeakPolarHBondContact OG1-CG 3.41Å; E47-R49 VanDerWaalsContact C-N 3.28Å; E47-R49 HydrophobicContact CB-CG 4.22Å; E47-R49 PolarHBondContact O-N 2.82Å; E47-R49 IonicContact OE1-NH2 3.12Å; E47-R49 IonicContact OE2-CZ 2.76Å; E47-R49 IonicContact OE2-NE 3.48Å; E47-R49 PolarHBondContact OE2-NE 2.78Å; E47-R49 IonicContact OE2-NH2 3.42Å; E47-R49 PolarHBondContact OE2-NH2 3.26Å; E47-T88 WeakPolarHBondContact OE1-CB 3.46Å; E47-T88 WeakPolarHBondContact OE1-CG2 3.44Å; E47-T88 PolarHBondContact OE1-OG1 3.32Å | ||
| 48 | K | 66.9 | Low | 75.2 | Confident | 97 Ų | 97 | 73 Ų | 73 | 42% | 0.422 | 38% | 0.383 | S | S | . | . | trans | -76.7 | 87.8 | 164.8 | -70.3 | 170.1 | 158.6 | -152.4 | 0 | 108.5 | G46 F50 R58 F59 T60 | G46-K48 VanDerWaalsContact C-N 3.31Å; G46-K48 PolarHBondContact O-N 3.48Å; K48-F50 VanDerWaalsContact C-N 3.3Å; K48-R58 HydrophobicContact CB-CB 3.4Å; K48-R58 VanDerWaalsContact CB-CB 3.4Å; K48-R58 HydrophobicContact CD-CB 3.76Å; K48-R58 VanDerWaalsContact CD-O 3.25Å; K48-R58 WeakPolarHBondContact CD-O 3.12Å; K48-R58 WeakPolarHBondContact CE-O 3.26Å; K48-R58 HydrophobicContact CG-CB 4.19Å; K48-R58 PolarHBondContact NZ-O 3.14Å; K48-R58 PolarHBondContact O-NE 3.03Å; K48-R58 VanDerWaalsContact O-NE 3.09Å; K48-R58 PolarHBondContact O-NH2 3.49Å; K48-F59 CarbonylContact C-O 3.52Å; K48-F59 WeakPolarHBondContact CA-O 3.31Å; K48-T60 HydrophobicContact CG-CG2 3.86Å | ||
| 49 | R | 69 | Low | 75 | Confident | 94 Ų | 94 | 72.7 Ų | 72.7 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | trans | -70 | -24.1 | -177.8 | -68.3 | 177.8 | 164.2 | -113.9 | -9.8 | 113.4 | E47 F59 P83 | E47-R49 VanDerWaalsContact C-N 3.28Å; E47-R49 HydrophobicContact CB-CG 4.22Å; E47-R49 PolarHBondContact O-N 2.82Å; E47-R49 IonicContact OE1-NH2 3.12Å; E47-R49 IonicContact OE2-CZ 2.76Å; E47-R49 IonicContact OE2-NE 3.48Å; E47-R49 PolarHBondContact OE2-NE 2.78Å; E47-R49 IonicContact OE2-NH2 3.42Å; E47-R49 PolarHBondContact OE2-NH2 3.26Å; R49-F59 PolarHBondContact N-O 3.05Å; R49-P83 WeakPolarHBondContact O-CG 3.36Å | ||
| 50 | F | 72.8 | Confident | 74.9 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 13% | 0.127 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 103.7 | -176 | -60.6 | -78.4 | 0 | 0 | 0 | 109.5 | K48 R58 F59 R61 L65 | K48-F50 VanDerWaalsContact C-N 3.3Å; F50-R58 CarbonylContact O-C 3.55Å; F50-R58 WeakPolarHBondContact O-CA 3.41Å; F50-F59 HydrophobicContact CB-CB 4.22Å; F50-F59 WeakPolarHBondContact CB-O 3.41Å; F50-F59 PolarHBondContact N-O 3.39Å; F50-F59 PolarHBondContact O-N 3.21Å; F50-R61 VanDerWaalsContact CD2-C 3.42Å; F50-L65 HydrophobicContact CB-CB 4.04Å; F50-L65 HydrophobicContact CB-CD2 3.76Å; F50-L65 HydrophobicContact CB-CG 4.44Å |
| 51 | S | 76.9 | Confident | 74.4 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 41% | 0.413 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139 | 175.8 | -166.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 52 | C | 79.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | trans | -76.4 | 121.2 | 170.9 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | L54 C55 S56 K57 F59 L65 H68 H72 | C52-L54 PolarHBondContact O-N 3.2Å; C52-C55 VanDerWaalsContact SG-SG 3.64Å; C52-S56 WeakPolarHBondContact O-CA 3.46Å; C52-S56 PolarHBondContact O-N 3.43Å; C52-K57 HydrophobicContact CB-CB 4.4Å; C52-K57 WeakPolarHBondContact CB-O 3.45Å; C52-K57 PolarHBondContact N-O 3.18Å; C52-F59 HydrophobicContact CB-CE2 4.41Å; C52-L65 HydrophobicContact CB-CD1 3.59Å; C52-H68 PolarHBondContact SG-NE2 3.45Å; C52-H68 VanDerWaalsContact SG-NE2 3.42Å; C52-H72 PolarHBondContact SG-NE2 2.88Å | ||
| 53 | P | 72.8 | Confident | 74.7 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -19.4 | -179.9 | 27.5 | -33.7 | 0 | 0 | 0 | 113.1 | ||
| 54 | L | 77 | Confident | 75.1 | Confident | 94 Ų | 94 | 70 Ų | 70 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -28.2 | -175.1 | -62.1 | 174.7 | 0 | 0 | 0 | 113.7 | C52 H72 F75 | C52-L54 PolarHBondContact O-N 3.2Å; L54-H72 HydrophobicContact CD1-CB 3.38Å; L54-F75 HydrophobicContact CD1-CB 3.83Å; L54-F75 HydrophobicContact CD1-CD2 3.88Å; L54-F75 HydrophobicContact CD1-CG 4.32Å |
| 55 | C | 83.4 | Confident | 75.5 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 35% | 0.345 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | 10.1 | -176.6 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | C52 K57 H68 H72 | C52-C55 VanDerWaalsContact SG-SG 3.64Å; C55-K57 PolarHBondContact O-N 3.47Å; C55-H68 PolarHBondContact SG-NE2 3.47Å; C55-H72 PolarHBondContact SG-NE2 3.23Å |
| 56 | S | 74.8 | Confident | 76 | Confident | 91 Ų | 91 | 65.6 Ų | 65.6 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | trans | 55.9 | 13.9 | 178.9 | -59.1 | 0 | 0 | 0 | 0 | 115.2 | C52 R58 | C52-S56 WeakPolarHBondContact O-CA 3.46Å; C52-S56 PolarHBondContact O-N 3.43Å; S56-R58 PolarHBondContact O-N 3.33Å | ||
| 57 | K | 78.9 | Confident | 77 | Confident | 129 Ų | 129 | 69.1 Ų | 69.1 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | trans | -67.9 | 129 | 174.1 | -81.5 | -176.8 | 175.9 | -174.1 | 0 | 110 | C52 C55 F59 | C52-K57 HydrophobicContact CB-CB 4.4Å; C52-K57 WeakPolarHBondContact CB-O 3.45Å; C52-K57 PolarHBondContact N-O 3.18Å; C55-K57 PolarHBondContact O-N 3.47Å; K57-F59 HydrophobicContact CB-CE2 3.72Å; K57-F59 HydrophobicContact CB-CZ 4.09Å; K57-F59 WeakPolarHBondContact O-CD2 3.28Å; K57-F59 WeakPolarHBondContact O-CE2 3.29Å | ||
| 58 | R | 79 | Confident | 78.3 | Confident | 144 Ų | 144 | 68.7 Ų | 68.7 | 54% | 0.543 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.7 | -177.1 | -51.7 | 179.6 | 66.8 | 156.4 | 0.1 | 111.3 | K48 F50 S56 | K48-R58 HydrophobicContact CB-CB 3.4Å; K48-R58 VanDerWaalsContact CB-CB 3.4Å; K48-R58 HydrophobicContact CD-CB 3.76Å; K48-R58 VanDerWaalsContact CD-O 3.25Å; K48-R58 WeakPolarHBondContact CD-O 3.12Å; K48-R58 WeakPolarHBondContact CE-O 3.26Å; K48-R58 HydrophobicContact CG-CB 4.19Å; K48-R58 PolarHBondContact NZ-O 3.14Å; K48-R58 PolarHBondContact O-NE 3.03Å; K48-R58 VanDerWaalsContact O-NE 3.09Å; K48-R58 PolarHBondContact O-NH2 3.49Å; F50-R58 CarbonylContact O-C 3.55Å; F50-R58 WeakPolarHBondContact O-CA 3.41Å; S56-R58 PolarHBondContact O-N 3.33Å |
| 59 | F | 79.3 | Confident | 78.9 | Confident | 44 Ų | 44 | 64.1 Ų | 64.1 | 19% | 0.193 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 151 | -177.4 | -60.7 | -92.6 | 0 | 0 | 0 | 110.3 | K48 R49 F50 C52 K57 H64 L65 H68 | K48-F59 CarbonylContact C-O 3.52Å; K48-F59 WeakPolarHBondContact CA-O 3.31Å; R49-F59 PolarHBondContact N-O 3.05Å; F50-F59 HydrophobicContact CB-CB 4.22Å; F50-F59 WeakPolarHBondContact CB-O 3.41Å; F50-F59 PolarHBondContact N-O 3.39Å; F50-F59 PolarHBondContact O-N 3.21Å; C52-F59 HydrophobicContact CB-CE2 4.41Å; K57-F59 HydrophobicContact CB-CE2 3.72Å; K57-F59 HydrophobicContact CB-CZ 4.09Å; K57-F59 WeakPolarHBondContact O-CD2 3.28Å; K57-F59 WeakPolarHBondContact O-CE2 3.29Å; F59-H64 HydrophobicContact CD1-CB 3.97Å; F59-L65 HydrophobicContact CB-CB 4.17Å; F59-L65 HydrophobicContact CD2-CB 3.99Å; F59-L65 HydrophobicContact CD2-CD1 3.39Å; F59-L65 HydrophobicContact CD2-CG 4.27Å; F59-L65 HydrophobicContact CE2-CD1 3.65Å; F59-L65 HydrophobicContact CG-CB 4.16Å; F59-L65 HydrophobicContact CG-CD1 4.38Å; F59-H68 HydrophobicContact CE1-CB 3.87Å; F59-H68 HydrophobicContact CE2-CB 4.02Å; F59-H68 AromaticContact CE2-CD2 3.41Å; F59-H68 VanDerWaalsContact CE2-CD2 3.41Å; F59-H68 WeakPolarHBondContact CE2-CD2 3.4Å; F59-H68 AromaticContact CE2-CG 3.65Å; F59-H68 HydrophobicContact CZ-CB 3.44Å; F59-H68 VanDerWaalsContact CZ-CB 3.44Å; F59-H68 AromaticContact CZ-CD2 3.48Å; F59-H68 VanDerWaalsContact CZ-CD2 3.48Å; F59-H68 WeakPolarHBondContact CZ-CD2 3.48Å; F59-H68 AromaticContact CZ-CG 3.19Å; F59-H68 AromaticContact CZ-ND1 3.65Å |
| 60 | T | 74.9 | Confident | 79.6 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -85.1 | -19.9 | 177.6 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | K48 | K48-T60 HydrophobicContact CG-CG2 3.86Š|
| 61 | R | 75.3 | Confident | 80.1 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -130.1 | 145.1 | -178.4 | -55.9 | 170.7 | 47.1 | 174 | 3.4 | 111.9 | F50 D63 H64 L65 | F50-R61 VanDerWaalsContact CD2-C 3.42Å; R61-D63 VanDerWaalsContact CB-OD1 3.27Å; R61-D63 WeakPolarHBondContact CB-OD1 3.18Å; R61-D63 IonicContact CZ-OD1 2.91Å; R61-D63 VanDerWaalsContact CZ-OD1 3.24Å; R61-D63 IonicContact CZ-OD2 2.93Å; R61-D63 IonicContact NE-OD1 3.23Å; R61-D63 PolarHBondContact NE-OD1 3.17Å; R61-D63 IonicContact NE-OD2 3.52Å; R61-D63 PolarHBondContact NE-OD2 3.21Å; R61-D63 VanDerWaalsContact NH2-CG 3.28Å; R61-D63 IonicContact NH2-OD1 3.64Å; R61-D63 PolarHBondContact NH2-OD1 3.29Å; R61-D63 IonicContact NH2-OD2 2.77Å; R61-D63 PolarHBondContact NH2-OD2 2.85Å; R61-D63 VanDerWaalsContact NH2-OD2 3.12Å; R61-H64 VanDerWaalsContact CD-CD2 3.48Å; R61-H64 WeakPolarHBondContact CD-CD2 3.38Å; R61-H64 PolarHBondContact O-N 2.74Å; R61-L65 PolarHBondContact O-N 3.25Å |
| 62 | S | 78.9 | Confident | 80.3 | Confident | 55 Ų | 55 | 77 Ų | 77 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | H64 L65 A66 | S62-H64 VanDerWaalsContact C-N 3.33Å; S62-H64 PolarHBondContact O-N 2.78Å; S62-L65 PolarHBondContact O-N 3.37Å; S62-A66 WeakPolarHBondContact O-CB 3.28Å; S62-A66 PolarHBondContact O-N 3.16Å |
| 63 | D | 81.4 | Confident | 80.1 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 180 | 62.2 | -85.1 | 0 | 0 | 0 | 112.6 | R61 K67 | R61-D63 VanDerWaalsContact CB-OD1 3.27Å; R61-D63 WeakPolarHBondContact CB-OD1 3.18Å; R61-D63 IonicContact CZ-OD1 2.91Å; R61-D63 VanDerWaalsContact CZ-OD1 3.24Å; R61-D63 IonicContact CZ-OD2 2.93Å; R61-D63 IonicContact NE-OD1 3.23Å; R61-D63 PolarHBondContact NE-OD1 3.17Å; R61-D63 IonicContact NE-OD2 3.52Å; R61-D63 PolarHBondContact NE-OD2 3.21Å; R61-D63 VanDerWaalsContact NH2-CG 3.28Å; R61-D63 IonicContact NH2-OD1 3.64Å; R61-D63 PolarHBondContact NH2-OD1 3.29Å; R61-D63 IonicContact NH2-OD2 2.77Å; R61-D63 PolarHBondContact NH2-OD2 2.85Å; R61-D63 VanDerWaalsContact NH2-OD2 3.12Å; D63-K67 WeakPolarHBondContact O-CB 2.99Å; D63-K67 WeakPolarHBondContact O-CG 3.45Å; D63-K67 PolarHBondContact O-N 3.41Å |
| 64 | H | 83.9 | Confident | 79.9 | Confident | 77 Ų | 77 | 83 Ų | 83 | 36% | 0.356 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 172.9 | -68.1 | -53.8 | 0 | 0 | 0 | 111.9 | F59 R61 S62 K67 H68 | F59-H64 HydrophobicContact CD1-CB 3.97Å; R61-H64 VanDerWaalsContact CD-CD2 3.48Å; R61-H64 WeakPolarHBondContact CD-CD2 3.38Å; R61-H64 PolarHBondContact O-N 2.74Å; S62-H64 VanDerWaalsContact C-N 3.33Å; S62-H64 PolarHBondContact O-N 2.78Å; H64-K67 PolarHBondContact O-N 3.27Å; H64-H68 VanDerWaalsContact O-CB 3.26Å; H64-H68 WeakPolarHBondContact O-CB 3.18Å; H64-H68 PolarHBondContact O-N 3.05Å |
| 65 | L | 85.1 | Confident | 79.3 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 175.2 | 179 | 66.9 | 0 | 0 | 0 | 110.9 | F50 C52 F59 R61 S62 K67 H68 A69 L80 | F50-L65 HydrophobicContact CB-CB 4.04Å; F50-L65 HydrophobicContact CB-CD2 3.76Å; F50-L65 HydrophobicContact CB-CG 4.44Å; C52-L65 HydrophobicContact CB-CD1 3.59Å; F59-L65 HydrophobicContact CB-CB 4.17Å; F59-L65 HydrophobicContact CD2-CB 3.99Å; F59-L65 HydrophobicContact CD2-CD1 3.39Å; F59-L65 HydrophobicContact CD2-CG 4.27Å; F59-L65 HydrophobicContact CE2-CD1 3.65Å; F59-L65 HydrophobicContact CG-CB 4.16Å; F59-L65 HydrophobicContact CG-CD1 4.38Å; R61-L65 PolarHBondContact O-N 3.25Å; S62-L65 PolarHBondContact O-N 3.37Å; L65-K67 PolarHBondContact O-N 2.92Å; L65-H68 WeakPolarHBondContact O-CB 3.22Å; L65-H68 PolarHBondContact O-N 2.75Å; L65-A69 WeakPolarHBondContact O-CB 3.25Å; L65-A69 PolarHBondContact O-N 2.91Å; L65-L80 HydrophobicContact CB-CD1 4.29Å; L65-L80 HydrophobicContact CD2-CD1 3.35Å; L65-L80 HydrophobicContact CD2-CD2 4.19Å; L65-L80 HydrophobicContact CD2-CG 3.67Å; L65-L80 HydrophobicContact CG-CD1 3.53Å; L65-L80 HydrophobicContact CG-CG 4.33Å |
| 66 | A | 82.4 | Confident | 78.5 | Confident | 29 Ų | 29 | 83.2 Ų | 83.2 | 24% | 0.24 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S62 A69 R70 | S62-A66 WeakPolarHBondContact O-CB 3.28Å; S62-A66 PolarHBondContact O-N 3.16Å; A66-A69 PolarHBondContact O-N 3.36Å; A66-R70 WeakPolarHBondContact O-CG 3.48Å; A66-R70 PolarHBondContact O-N 3.47Å; A66-R70 VanDerWaalsContact O-N 3.08Å |
| 67 | K | 85.1 | Confident | 77.7 | Confident | 127 Ų | 127 | 83 Ų | 83 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | 173.7 | -77.3 | 175.5 | -178.6 | -178.3 | 0 | 112.2 | D63 H64 L65 A69 | D63-K67 WeakPolarHBondContact O-CB 2.99Å; D63-K67 WeakPolarHBondContact O-CG 3.45Å; D63-K67 PolarHBondContact O-N 3.41Å; H64-K67 PolarHBondContact O-N 3.27Å; L65-K67 PolarHBondContact O-N 2.92Å; K67-A69 VanDerWaalsContact C-N 3.29Å; K67-A69 PolarHBondContact O-N 3.1Å |
| 68 | H | 87.3 | Confident | 76.8 | Confident | 40 Ų | 40 | 83.2 Ų | 83.2 | 19% | 0.185 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 176.7 | 163.5 | 70.9 | 0 | 0 | 0 | 111.1 | C52 C55 F59 H64 L65 R70 R71 H72 | C52-H68 PolarHBondContact SG-NE2 3.45Å; C52-H68 VanDerWaalsContact SG-NE2 3.42Å; C55-H68 PolarHBondContact SG-NE2 3.47Å; F59-H68 HydrophobicContact CE1-CB 3.87Å; F59-H68 HydrophobicContact CE2-CB 4.02Å; F59-H68 AromaticContact CE2-CD2 3.41Å; F59-H68 VanDerWaalsContact CE2-CD2 3.41Å; F59-H68 WeakPolarHBondContact CE2-CD2 3.4Å; F59-H68 AromaticContact CE2-CG 3.65Å; F59-H68 HydrophobicContact CZ-CB 3.44Å; F59-H68 VanDerWaalsContact CZ-CB 3.44Å; F59-H68 AromaticContact CZ-CD2 3.48Å; F59-H68 VanDerWaalsContact CZ-CD2 3.48Å; F59-H68 WeakPolarHBondContact CZ-CD2 3.48Å; F59-H68 AromaticContact CZ-CG 3.19Å; F59-H68 AromaticContact CZ-ND1 3.65Å; H64-H68 VanDerWaalsContact O-CB 3.26Å; H64-H68 WeakPolarHBondContact O-CB 3.18Å; H64-H68 PolarHBondContact O-N 3.05Å; L65-H68 WeakPolarHBondContact O-CB 3.22Å; L65-H68 PolarHBondContact O-N 2.75Å; H68-R70 VanDerWaalsContact C-N 3.35Å; H68-R70 PolarHBondContact O-N 3.07Å; H68-R71 WeakPolarHBondContact O-CB 3.41Å; H68-R71 PolarHBondContact O-N 3.44Å; H68-R71 VanDerWaalsContact O-N 3.1Å; H68-H72 AromaticContact CE1-NE2 3.55Å; H68-H72 AromaticContact NE2-CD2 3.86Å; H68-H72 AromaticContact NE2-NE2 3.12Å; H68-H72 PolarHBondContact NE2-NE2 2.72Å; H68-H72 VanDerWaalsContact NE2-NE2 3.12Å |
| 69 | A | 79 | Confident | 76 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -75.3 | -27.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L65 A66 K67 R71 H72 F75 | L65-A69 WeakPolarHBondContact O-CB 3.25Å; L65-A69 PolarHBondContact O-N 2.91Å; A66-A69 PolarHBondContact O-N 3.36Å; K67-A69 VanDerWaalsContact C-N 3.29Å; K67-A69 PolarHBondContact O-N 3.1Å; A69-R71 PolarHBondContact O-N 2.98Å; A69-H72 WeakPolarHBondContact O-CB 3.37Å; A69-H72 PolarHBondContact O-N 2.97Å; A69-F75 VanDerWaalsContact C-CG 3.49Å; A69-F75 HydrophobicContact CB-CD1 3.38Å; A69-F75 HydrophobicContact CB-CD2 3.52Å; A69-F75 HydrophobicContact CB-CE1 3.22Å; A69-F75 HydrophobicContact CB-CE2 3.36Å; A69-F75 HydrophobicContact CB-CG 3.52Å; A69-F75 HydrophobicContact CB-CZ 3.21Å; A69-F75 WeakPolarHBondContact O-CB 3.48Å; A69-F75 VanDerWaalsContact O-CD1 3.29Å; A69-F75 WeakPolarHBondContact O-CD1 3.39Å; A69-F75 WeakPolarHBondContact O-CG 3.23Å |
| 70 | R | 82.7 | Confident | 75.2 | Confident | 181 Ų | 181 | 82 Ų | 82 | 68% | 0.683 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.3 | 166.8 | -75.5 | -169.1 | -70.8 | -140.7 | 6.4 | 114.8 | A66 H68 H72 | A66-R70 WeakPolarHBondContact O-CG 3.48Å; A66-R70 PolarHBondContact O-N 3.47Å; A66-R70 VanDerWaalsContact O-N 3.08Å; H68-R70 VanDerWaalsContact C-N 3.35Å; H68-R70 PolarHBondContact O-N 3.07Å; R70-H72 VanDerWaalsContact C-N 3.33Å |
| 71 | R | 83.5 | Confident | 74.5 | Confident | 224 Ų | 224 | 89.9 Ų | 89.9 | 85% | 0.845 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -21.6 | 175.2 | -173.1 | 74.4 | 150.3 | -146.2 | -8.7 | 112.2 | H68 A69 | H68-R71 WeakPolarHBondContact O-CB 3.41Å; H68-R71 PolarHBondContact O-N 3.44Å; H68-R71 VanDerWaalsContact O-N 3.1Å; A69-R71 PolarHBondContact O-N 2.98Å |
| 72 | H | 81.8 | Confident | 73.4 | Confident | 47 Ų | 47 | 95.4 Ų | 95.4 | 22% | 0.218 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -80.6 | 131.8 | -179.7 | -70.3 | -64 | 0 | 0 | 0 | 110.4 | C52 L54 C55 H68 A69 R70 G74 F75 | C52-H72 PolarHBondContact SG-NE2 2.88Å; L54-H72 HydrophobicContact CD1-CB 3.38Å; C55-H72 PolarHBondContact SG-NE2 3.23Å; H68-H72 AromaticContact CE1-NE2 3.55Å; H68-H72 AromaticContact NE2-CD2 3.86Å; H68-H72 AromaticContact NE2-NE2 3.12Å; H68-H72 PolarHBondContact NE2-NE2 2.72Å; H68-H72 VanDerWaalsContact NE2-NE2 3.12Å; A69-H72 WeakPolarHBondContact O-CB 3.37Å; A69-H72 PolarHBondContact O-N 2.97Å; R70-H72 VanDerWaalsContact C-N 3.33Å; H72-G74 PolarHBondContact O-N 3.09Å; H72-F75 HydrophobicContact CB-CB 4.02Å; H72-F75 PolarHBondContact O-N 2.64Å |
| 73 | P | 76.1 | Confident | 72.3 | Confident | 129 Ų | 129 | 95.7 Ų | 95.7 | 84% | 0.838 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 123.3 | 172 | 27.4 | -32 | 0 | 0 | 0 | 108.9 | ||
| 74 | G | 68.1 | Low | 70.9 | Confident | 82 Ų | 82 | 96 Ų | 96 | 85% | 0.845 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 10.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | H72 H76 | H72-G74 PolarHBondContact O-N 3.09Å; G74-H76 PolarHBondContact O-N 2.68Å |
| 75 | F | 64.9 | Low | 69.3 | Low | 27 Ų | 27 | 96.6 Ų | 96.6 | 12% | 0.118 | 50% | 0.504 | C | S | . | . | trans | -76.3 | 117.1 | 173.4 | 177.4 | -102.1 | 0 | 0 | 0 | 112.2 | L54 A69 H72 P77 L80 | L54-F75 HydrophobicContact CD1-CB 3.83Å; L54-F75 HydrophobicContact CD1-CD2 3.88Å; L54-F75 HydrophobicContact CD1-CG 4.32Å; A69-F75 VanDerWaalsContact C-CG 3.49Å; A69-F75 HydrophobicContact CB-CD1 3.38Å; A69-F75 HydrophobicContact CB-CD2 3.52Å; A69-F75 HydrophobicContact CB-CE1 3.22Å; A69-F75 HydrophobicContact CB-CE2 3.36Å; A69-F75 HydrophobicContact CB-CG 3.52Å; A69-F75 HydrophobicContact CB-CZ 3.21Å; A69-F75 WeakPolarHBondContact O-CB 3.48Å; A69-F75 VanDerWaalsContact O-CD1 3.29Å; A69-F75 WeakPolarHBondContact O-CD1 3.39Å; A69-F75 WeakPolarHBondContact O-CG 3.23Å; H72-F75 HydrophobicContact CB-CB 4.02Å; H72-F75 PolarHBondContact O-N 2.64Å; F75-P77 HydrophobicContact CE1-CB 4.18Å; F75-L80 HydrophobicContact CE2-CD1 4.4Å; F75-L80 HydrophobicContact CZ-CD1 3.67Å | ||
| 76 | H | 66.4 | Low | 67.3 | Low | 123 Ų | 123 | 105.4 Ų | 105.4 | 57% | 0.569 | 54% | 0.536 | S | S | * | . | trans | -98.2 | 124.7 | 170.5 | -155.4 | -111.7 | 0 | 0 | 0 | 110 | G74 D78 L79 | G74-H76 PolarHBondContact O-N 2.68Å; H76-D78 VanDerWaalsContact ND1-CB 3.31Å; H76-D78 WeakPolarHBondContact ND1-CB 3.48Å; H76-D78 PolarHBondContact O-N 3.23Å; H76-L79 PolarHBondContact O-N 2.96Å; H76-L79 VanDerWaalsContact O-N 3.17Å | ||
| 77 | P | 57.8 | Low | 65.6 | Low | 85 Ų | 85 | 109 Ų | 109 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -63.3 | -15.8 | -175.4 | 26.8 | -35.1 | 0 | 0 | 0 | 113.9 | F75 L79 L80 | F75-P77 HydrophobicContact CE1-CB 4.18Å; P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.42Å; P77-L80 VanDerWaalsContact O-CB 3.28Å; P77-L80 WeakPolarHBondContact O-CB 3.13Å; P77-L80 PolarHBondContact O-N 3.23Å |
| 78 | D | 61.1 | Low | 63.5 | Low | 134 Ų | 134 | 106 Ų | 106 | 72% | 0.717 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -66.4 | -26.2 | 177.5 | -159.7 | -110.9 | 0 | 0 | 0 | 113 | H76 L80 | H76-D78 VanDerWaalsContact ND1-CB 3.31Å; H76-D78 WeakPolarHBondContact ND1-CB 3.48Å; H76-D78 PolarHBondContact O-N 3.23Å; D78-L80 PolarHBondContact O-N 3.12Å |
| 79 | L | 60.4 | Low | 61.4 | Low | 119 Ų | 119 | 107.8 Ų | 107.8 | 62% | 0.623 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -82 | 6 | 176.6 | -59.8 | -178.8 | 0 | 0 | 0 | 113.4 | H76 P77 R81 | H76-L79 PolarHBondContact O-N 2.96Å; H76-L79 VanDerWaalsContact O-N 3.17Å; P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.42Å; L79-R81 PolarHBondContact O-N 2.78Å |
| 80 | L | 62.8 | Low | 59.7 | Low | 43 Ų | 43 | 113 Ų | 113 | 23% | 0.225 | 60% | 0.603 | C | S | . | * | trans | -72.6 | 59.9 | 170.8 | -143.6 | 98.7 | 0 | 0 | 0 | 109.6 | L65 F75 P77 D78 R82 | L65-L80 HydrophobicContact CB-CD1 4.29Å; L65-L80 HydrophobicContact CD2-CD1 3.35Å; L65-L80 HydrophobicContact CD2-CD2 4.19Å; L65-L80 HydrophobicContact CD2-CG 3.67Å; L65-L80 HydrophobicContact CG-CD1 3.53Å; L65-L80 HydrophobicContact CG-CG 4.33Å; F75-L80 HydrophobicContact CE2-CD1 4.4Å; F75-L80 HydrophobicContact CZ-CD1 3.67Å; P77-L80 VanDerWaalsContact O-CB 3.28Å; P77-L80 WeakPolarHBondContact O-CB 3.13Å; P77-L80 PolarHBondContact O-N 3.23Å; D78-L80 PolarHBondContact O-N 3.12Å; L80-R82 PolarHBondContact O-N 2.99Å | ||
| 81 | R | 60.5 | Low | 58 | Low | 221 Ų | 221 | 108.2 Ų | 108.2 | 83% | 0.834 | 60% | 0.598 | S | S | * | * | trans | -51.9 | 105.3 | 175.3 | 177.6 | 174.4 | 154.7 | -161.2 | -4.5 | 107.1 | L79 P83 | L79-R81 PolarHBondContact O-N 2.78Å; R81-P83 WeakPolarHBondContact O-CD 3.41Å | ||
| 82 | R | 52.8 | Low | 56.2 | Low | 206 Ų | 206 | 105.1 Ų | 105.1 | 78% | 0.777 | 60% | 0.598 | S | S | * | * | trans | -49.2 | 117.4 | 156.8 | -109.6 | 168.4 | 72.2 | -143.3 | 7.4 | 103.8 | L80 G84 | L80-R82 PolarHBondContact O-N 2.99Å; R82-G84 PolarHBondContact O-N 2.97Å | ||
| 83 | P | 54.5 | Low | 54.8 | Low | 60 Ų | 60 | 107 Ų | 107 | 39% | 0.39 | 62% | 0.617 | S | S | . | * | trans | -58.8 | 105.5 | 162.4 | -9 | 22.4 | 0 | 0 | 0 | 104.1 | R49 R81 A85 | R49-P83 WeakPolarHBondContact O-CG 3.36Å; R81-P83 WeakPolarHBondContact O-CD 3.41Å; P83-A85 PolarHBondContact O-N 3.25Å | ||
| 84 | G | 52.3 | Low | 53.5 | Low | 59 Ų | 59 | 108.9 Ų | 108.9 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | trans | -47.4 | 130 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | R82 R86 | R82-G84 PolarHBondContact O-N 2.97Å; G84-R86 VanDerWaalsContact C-N 3.31Å; G84-R86 PolarHBondContact O-N 2.72Å | ||
| 85 | A | 51.4 | Low | 53.3 | Low | 89 Ų | 89 | 110.1 Ų | 110.1 | 74% | 0.736 | 61% | 0.611 | S | S | * | * | trans | -13.8 | 85.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P83 S87 | P83-A85 PolarHBondContact O-N 3.25Å; A85-S87 PolarHBondContact O-N 3.48Å | ||
| 86 | R | 43.1 | Very low | 52.3 | Low | 188 Ų | 188 | 114.3 Ų | 114.3 | 71% | 0.709 | 64% | 0.643 | S | S | * | * | trans | -72.8 | 100.5 | 157.7 | -73.2 | -173.1 | 83.2 | -117.7 | 7.3 | 102.3 | G84 T88 | G84-R86 VanDerWaalsContact C-N 3.31Å; G84-R86 PolarHBondContact O-N 2.72Å; R86-T88 PolarHBondContact O-N 3.29Å | ||
| 87 | S | 45.5 | Very low | 51.5 | Low | 106 Ų | 106 | 114.5 Ų | 114.5 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | trans | -43.6 | 82.7 | 153 | -42.4 | 0 | 0 | 0 | 0 | 107.2 | A85 S89 | A85-S87 PolarHBondContact O-N 3.48Å; S87-S89 PolarHBondContact O-N 3.14Å; S87-S89 VanDerWaalsContact O-N 3.14Å | ||
| 88 | T | 41.4 | Very low | 51.1 | Low | 62 Ų | 62 | 118.4 Ų | 118.4 | 38% | 0.38 | 67% | 0.673 | S | S | . | * | trans | -78.6 | 84.5 | 150.6 | 37.7 | 0 | 0 | 0 | 0 | 103.4 | E47 R86 P90 | E47-T88 WeakPolarHBondContact OE1-CB 3.46Å; E47-T88 WeakPolarHBondContact OE1-CG2 3.44Å; E47-T88 PolarHBondContact OE1-OG1 3.32Å; R86-T88 PolarHBondContact O-N 3.29Å; T88-P90 VanDerWaalsContact O-CD 3.22Å; T88-P90 WeakPolarHBondContact O-CD 3.39Å | ||
| 89 | S | 43.1 | Very low | 50.5 | Low | 78 Ų | 78 | 116.7 Ų | 116.7 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | trans | -33.6 | 121.1 | 161.7 | -75.4 | 0 | 0 | 0 | 0 | 109.4 | S87 | S87-S89 PolarHBondContact O-N 3.14Å; S87-S89 VanDerWaalsContact O-N 3.14Å | ||
| 90 | P | 43.3 | Very low | 49.8 | Very low | 110 Ų | 110 | 114.8 Ų | 114.8 | 71% | 0.714 | 69% | 0.687 | S | S | * | * | trans | -77.7 | 10.3 | 142.6 | 33 | -30.5 | 0 | 0 | 0 | 111.2 | T88 D92 S93 | T88-P90 VanDerWaalsContact O-CD 3.22Å; T88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-D92 VanDerWaalsContact C-N 3.28Å; P90-D92 CarbonylContact O-C 3.46Å; P90-D92 PolarHBondContact O-N 3.29Å; P90-S93 WeakPolarHBondContact O-CA 3.35Å; P90-S93 VanDerWaalsContact O-CB 3.23Å; P90-S93 WeakPolarHBondContact O-CB 3.25Å; P90-S93 PolarHBondContact O-N 3.42Å | ||
| 91 | S | 46.4 | Very low | 48.9 | Very low | 81 Ų | 81 | 118.2 Ų | 118.2 | 57% | 0.566 | 72% | 0.715 | S | S | * | * | trans | -80.9 | 65.8 | 162.5 | -65.2 | 0 | 0 | 0 | 0 | 110 | S93 | S91-S93 VanDerWaalsContact CA-N 3.29Š| ||
| 92 | D | 46.7 | Very low | 48.4 | Very low | 158 Ų | 158 | 113.3 Ų | 113.3 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | S | Bend | -97.9 | 39.5 | 96.4 | -158.6 | -113.7 | 0 | 0 | 0 | 115.6 | P90 | P90-D92 VanDerWaalsContact C-N 3.28Å; P90-D92 CarbonylContact O-C 3.46Å; P90-D92 PolarHBondContact O-N 3.29Å | |
| 93 | S | 52.7 | Low | 48.4 | Very low | 88 Ų | 88 | 108 Ų | 108 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -134.1 | 90.3 | 157.9 | -65 | 0 | 0 | 0 | 0 | 105.2 | P90 S91 P95 | P90-S93 WeakPolarHBondContact O-CA 3.35Å; P90-S93 VanDerWaalsContact O-CB 3.23Å; P90-S93 WeakPolarHBondContact O-CB 3.25Å; P90-S93 PolarHBondContact O-N 3.42Å; S91-S93 VanDerWaalsContact CA-N 3.29Å; S93-P95 VanDerWaalsContact O-CD 3.25Å; S93-P95 WeakPolarHBondContact O-CD 3.14Å |
| 94 | L | 49.1 | Very low | 48 | Very low | 168 Ų | 168 | 110.9 Ų | 110.9 | 88% | 0.88 | 73% | 0.73 | S | S | * | * | trans | -52.5 | 122.6 | 160 | -66.7 | 156.9 | 0 | 0 | 0 | 107.9 | ||||
| 95 | P | 63.1 | Low | 48.2 | Very low | 107 Ų | 107 | 113.3 Ų | 113.3 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | -99.1 | 119.5 | 156 | 31.8 | -18.1 | 0 | 0 | 0 | 107.9 | S93 | S93-P95 VanDerWaalsContact O-CD 3.25Å; S93-P95 WeakPolarHBondContact O-CD 3.14Å | ||
| 96 | C | 43.3 | Very low | 48.3 | Very low | 115 Ų | 115 | 115.2 Ų | 115.2 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | 155.6 | 112.5 | 138 | -83.9 | 0 | 0 | 0 | 0 | 110 | L98 | C96-L98 PolarHBondContact O-N 3.49Å; C96-L98 VanDerWaalsContact O-N 3.16Å | ||
| 97 | S | 50.4 | Low | 49 | Very low | 127 Ų | 127 | 110.3 Ų | 110.3 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | -26 | 110.5 | 155.2 | -49.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 98 | L | 49.5 | Very low | 49.3 | Very low | 167 Ų | 167 | 111.2 Ų | 111.2 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -112.6 | 109.1 | 154.7 | -106.8 | 127.2 | 0 | 0 | 0 | 107.2 | C96 | C96-L98 PolarHBondContact O-N 3.49Å; C96-L98 VanDerWaalsContact O-N 3.16Å | ||
| 99 | A | 47.7 | Very low | 50 | Low | 99 Ų | 99 | 113.9 Ų | 113.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 45.2 | 100.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 100 | G | 45.3 | Very low | 50.8 | Low | 79 Ų | 79 | 115.9 Ų | 115.9 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -135 | 42 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 101 | S | 45.5 | Very low | 51.5 | Low | 114 Ų | 114 | 115.2 Ų | 115.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68 | 129.2 | 163.1 | -73 | 0 | 0 | 0 | 0 | 108.1 | A103 | S101-A103 PolarHBondContact O-N 2.84Š|
| 102 | P | 48.8 | Very low | 52.1 | Low | 119 Ų | 119 | 117.4 Ų | 117.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 129.3 | 176.2 | 27.3 | -32.9 | 0 | 0 | 0 | 109 | P104 | P102-P104 VanDerWaalsContact O-CD 3.28Å; P102-P104 WeakPolarHBondContact O-CD 3.41Å |
| 103 | A | 52.8 | Low | 52.5 | Low | 93 Ų | 93 | 115 Ų | 115 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | S101 S105 | S101-A103 PolarHBondContact O-N 2.84Å; A103-S105 PolarHBondContact O-N 2.8Å |
| 104 | P | 47 | Very low | 52.7 | Low | 122 Ų | 122 | 114.4 Ų | 114.4 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 123.9 | 159.1 | 29.1 | -29.4 | 0 | 0 | 0 | 108.4 | P102 | P102-P104 VanDerWaalsContact O-CD 3.28Å; P102-P104 WeakPolarHBondContact O-CD 3.41Å |
| 105 | S | 56.8 | Low | 52.8 | Low | 110 Ų | 110 | 118.5 Ų | 118.5 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -45.2 | 134.8 | 172.7 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | A103 A107 | A103-S105 PolarHBondContact O-N 2.8Å; S105-A107 PolarHBondContact O-N 3.33Å | ||
| 106 | P | 52.2 | Low | 52.3 | Low | 128 Ų | 128 | 119.1 Ų | 119.1 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 122.9 | 162.1 | 28.5 | -29.9 | 0 | 0 | 0 | 109.4 | ||
| 107 | A | 57.8 | Low | 52.7 | Low | 85 Ų | 85 | 119.3 Ų | 119.3 | 70% | 0.702 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 152.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S105 S109 | S105-A107 PolarHBondContact O-N 3.33Å; A107-S109 PolarHBondContact O-N 2.9Å |
| 108 | P | 53.5 | Low | 52.9 | Low | 126 Ų | 126 | 118.8 Ų | 118.8 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69 | 128.9 | 176.9 | 28.3 | -33.6 | 0 | 0 | 0 | 111 | ||
| 109 | S | 54.2 | Low | 53.1 | Low | 117 Ų | 117 | 116 Ų | 116 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141 | 169.9 | -73 | 0 | 0 | 0 | 0 | 110.9 | A107 | A107-S109 PolarHBondContact O-N 2.9Š|
| 110 | P | 60.6 | Low | 53.4 | Low | 120 Ų | 120 | 117.1 Ų | 117.1 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 142.3 | -179.9 | 31.2 | -33.5 | 0 | 0 | 0 | 112.1 | ||
| 111 | A | 57.8 | Low | 53.9 | Low | 97 Ų | 97 | 119.6 Ų | 119.6 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 143.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 112 | P | 59.3 | Low | 54.6 | Low | 126 Ų | 126 | 120 Ų | 120 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 137.2 | 156.6 | 32 | -28.2 | 0 | 0 | 0 | 111.2 | ||
| 113 | A | 55.3 | Low | 55 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 155.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 114 | G | 56.8 | Low | 55.2 | Low | 75 Ų | 75 | 122.3 Ų | 122.3 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | trans | 112.6 | 129.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 115 | L | 50.9 | Low | 55.9 | Low | 254 Ų | 254 | 122.4 Ų | 122.4 | 100% | 1.33 | 85% | 0.849 | S | S | * | * | cis | -141 | 0 | 22.4 | -83.6 | 151.5 | 0 | 0 | 0 | 110.7 |
Retrieved 115 of 115 residues in 214.1 ms
(Link to these results)