| 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 | 43.8 | Very low | 52.3 | Low | 242 Ų | 242 | 140.5 Ų | 140.5 | 100% | 1.192 | 80% | 0.796 | S | S | * | * | 0 | 81.4 | 0 | -68 | -162.5 | -84.9 | 0 | 0 | 107.7 | G3 | M1-G3 PolarHBondContact O-N 3.44Š| |||
| 2 | S | 50.2 | Low | 53.3 | Low | 125 Ų | 125 | 135.3 Ų | 135.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 114.7 | -179.3 | -63.6 | 0 | 0 | 0 | 0 | 108 | R4 | S2-R4 PolarHBondContact O-N 2.82Š| ||
| 3 | G | 51.6 | Low | 54.5 | Low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | trans | -50.2 | 122.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | M1 T5 | M1-G3 PolarHBondContact O-N 3.44Å; G3-T5 PolarHBondContact O-N 3.36Å | ||
| 4 | R | 52 | Low | 55.9 | Low | 247 Ų | 247 | 126.3 Ų | 126.3 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | trans | -65.4 | 89.2 | 166.2 | -72.9 | 175.3 | 158 | 167.6 | -6.7 | 106.4 | S2 V6 | S2-R4 PolarHBondContact O-N 2.82Å; R4-V6 PolarHBondContact O-N 3.16Å | ||
| 5 | T | 50.4 | Low | 57.5 | Low | 121 Ų | 121 | 128.5 Ų | 128.5 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 120.8 | 168.1 | 92.8 | 0 | 0 | 0 | 0 | 104.7 | G3 P7 | G3-T5 PolarHBondContact O-N 3.36Å; T5-P7 WeakPolarHBondContact O-CD 3.45Å |
| 6 | V | 56.4 | Low | 58.6 | Low | 129 Ų | 129 | 129.4 Ų | 129.4 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119.6 | 166.2 | -178.7 | 0 | 0 | 0 | 0 | 103.7 | R4 H8 | R4-V6 PolarHBondContact O-N 3.16Å; V6-H8 PolarHBondContact O-N 3.43Å |
| 7 | P | 50.3 | Low | 59.7 | Low | 100 Ų | 100 | 129.4 Ų | 129.4 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 118.1 | 173.4 | 23.5 | -30.9 | 0 | 0 | 0 | 105.5 | T5 A9 | T5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-A9 VanDerWaalsContact C-N 3.27Å; P7-A9 PolarHBondContact O-N 3.32Å |
| 8 | H | 55.5 | Low | 60.7 | Low | 166 Ų | 166 | 132.3 Ų | 132.3 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | -47.9 | 106 | 159.4 | 51.4 | -5.6 | 0 | 0 | 0 | 105.2 | V6 H10 | V6-H8 PolarHBondContact O-N 3.43Å; H8-H10 PolarHBondContact O-N 3.37Å; H8-H10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | A | 56.6 | Low | 61.7 | Low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | trans | -52.1 | 124.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 104.4 | P7 | P7-A9 VanDerWaalsContact C-N 3.27Å; P7-A9 PolarHBondContact O-N 3.32Å | ||
| 10 | H | 52 | Low | 62.6 | Low | 158 Ų | 158 | 126.3 Ų | 126.3 | 73% | 0.731 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 0.4 | 128.8 | -179.1 | -75 | -90.6 | 0 | 0 | 0 | 116.1 | H8 A12 | H8-H10 PolarHBondContact O-N 3.37Å; H8-H10 VanDerWaalsContact O-N 3.1Å; H10-A12 PolarHBondContact O-N 3.46Å |
| 11 | P | 56.1 | Low | 63.1 | Low | 102 Ų | 102 | 124.8 Ų | 124.8 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -43.4 | 120.8 | -178.3 | 21.9 | -33.8 | 0 | 0 | 0 | 108.6 | T13 | P11-T13 VanDerWaalsContact C-N 3.34Å; P11-T13 WeakPolarHBondContact O-CA 3.04Å; P11-T13 PolarHBondContact O-N 3.13Å |
| 12 | A | 65.1 | Low | 64.8 | Low | 78 Ų | 78 | 119.3 Ų | 119.3 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | trans | -35.2 | 99.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | H10 | H10-A12 PolarHBondContact O-N 3.46Š| ||
| 13 | T | 68.6 | Low | 66.2 | Low | 61 Ų | 61 | 123.6 Ų | 123.6 | 37% | 0.374 | 69% | 0.685 | S | S | . | * | trans | -66.7 | 145.3 | -176.1 | 51.2 | 0 | 0 | 0 | 0 | 106.1 | P11 E15 Y16 E17 | P11-T13 VanDerWaalsContact C-N 3.34Å; P11-T13 WeakPolarHBondContact O-CA 3.04Å; P11-T13 PolarHBondContact O-N 3.13Å; T13-E15 PolarHBondContact O-N 2.89Å; T13-Y16 WeakPolarHBondContact O-CA 3.02Å; T13-Y16 WeakPolarHBondContact O-CB 3.35Å; T13-Y16 PolarHBondContact O-N 3.39Å; T13-Y16 WeakPolarHBondContact OG1-CB 3.48Å; T13-Y16 PolarHBondContact OG1-N 2.91Å; T13-E17 PolarHBondContact O-N 3.07Å | ||
| 14 | A | 74.4 | Confident | 67.4 | Low | 83 Ų | 83 | 126.9 Ų | 126.9 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -52.3 | -32.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F18 | A14-F18 VanDerWaalsContact O-CB 3.29Å; A14-F18 WeakPolarHBondContact O-CB 3.3Å; A14-F18 PolarHBondContact O-N 2.92Å |
| 15 | E | 79 | Confident | 68.8 | Low | 159 Ų | 159 | 118 Ų | 118 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -62.1 | -44.6 | 170.8 | -62.7 | -179.5 | 170.1 | 0 | 0 | 113.4 | T13 F18 A19 | T13-E15 PolarHBondContact O-N 2.89Å; E15-F18 PolarHBondContact O-N 3.42Å; E15-A19 VanDerWaalsContact O-CB 3.3Å; E15-A19 WeakPolarHBondContact O-CB 3.38Å; E15-A19 PolarHBondContact O-N 3.09Å |
| 16 | Y | 76.1 | Confident | 70.3 | Confident | 143 Ų | 143 | 121 Ų | 121 | 56% | 0.561 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.3 | -39.5 | 177.5 | -175.4 | -89.8 | 0 | 0 | 0 | 112.2 | T13 A19 N20 | T13-Y16 WeakPolarHBondContact O-CA 3.02Å; T13-Y16 WeakPolarHBondContact O-CB 3.35Å; T13-Y16 PolarHBondContact O-N 3.39Å; T13-Y16 WeakPolarHBondContact OG1-CB 3.48Å; T13-Y16 PolarHBondContact OG1-N 2.91Å; Y16-A19 PolarHBondContact O-N 3.24Å; Y16-N20 HydrophobicContact CE1-CB 4.39Å; Y16-N20 VanDerWaalsContact CE2-ND2 3.31Å; Y16-N20 WeakPolarHBondContact CE2-ND2 3.46Å; Y16-N20 VanDerWaalsContact CZ-ND2 3.29Å; Y16-N20 WeakPolarHBondContact O-CB 3.31Å; Y16-N20 PolarHBondContact O-N 2.81Å; Y16-N20 PolarHBondContact O-ND2 2.78Å |
| 17 | E | 76.8 | Confident | 71.6 | Confident | 130 Ų | 130 | 121.3 Ų | 121.3 | 61% | 0.607 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.8 | -41.8 | 175.1 | -175.6 | 178.1 | 178.7 | 0 | 0 | 111.4 | T13 A19 N20 | T13-E17 PolarHBondContact O-N 3.07Å; E17-A19 VanDerWaalsContact C-N 3.35Å; E17-N20 CarbonylContact O-C 3.52Å; E17-N20 PolarHBondContact O-N 2.64Å |
| 18 | F | 77.1 | Confident | 73.1 | Confident | 182 Ų | 182 | 127.3 Ų | 127.3 | 80% | 0.798 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -63.7 | -40.4 | 174.8 | -176.1 | -94.7 | 0 | 0 | 0 | 112.1 | A14 E15 N20 | A14-F18 VanDerWaalsContact O-CB 3.29Å; A14-F18 WeakPolarHBondContact O-CB 3.3Å; A14-F18 PolarHBondContact O-N 2.92Å; E15-F18 PolarHBondContact O-N 3.42Å; F18-N20 VanDerWaalsContact C-N 3.3Å; F18-N20 PolarHBondContact O-N 2.93Å |
| 19 | A | 80.9 | Confident | 74.3 | Confident | 68 Ų | 68 | 124 Ų | 124 | 56% | 0.562 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.5 | -25.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E15 Y16 E17 P21 | E15-A19 VanDerWaalsContact O-CB 3.3Å; E15-A19 WeakPolarHBondContact O-CB 3.38Å; E15-A19 PolarHBondContact O-N 3.09Å; Y16-A19 PolarHBondContact O-N 3.24Å; E17-A19 VanDerWaalsContact C-N 3.35Å; A19-P21 WeakPolarHBondContact O-CD 3.41Å |
| 20 | N | 78.3 | Confident | 75.5 | Confident | 75 Ų | 75 | 122.3 Ų | 122.3 | 40% | 0.401 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -124.4 | 70.4 | 179.8 | -61.1 | -74.8 | 0 | 0 | 0 | 110.4 | Y16 E17 F18 S22 | Y16-N20 HydrophobicContact CE1-CB 4.39Å; Y16-N20 VanDerWaalsContact CE2-ND2 3.31Å; Y16-N20 WeakPolarHBondContact CE2-ND2 3.46Å; Y16-N20 VanDerWaalsContact CZ-ND2 3.29Å; Y16-N20 WeakPolarHBondContact O-CB 3.31Å; Y16-N20 PolarHBondContact O-N 2.81Å; Y16-N20 PolarHBondContact O-ND2 2.78Å; E17-N20 CarbonylContact O-C 3.52Å; E17-N20 PolarHBondContact O-N 2.64Å; F18-N20 VanDerWaalsContact C-N 3.3Å; F18-N20 PolarHBondContact O-N 2.93Å; N20-S22 PolarHBondContact O-N 3.26Å |
| 21 | P | 74.4 | Confident | 76.8 | Confident | 95 Ų | 95 | 123.4 Ų | 123.4 | 62% | 0.617 | 66% | 0.662 | S | S | * | * | trans | -59.8 | 114.3 | 179.4 | 25.5 | -33.3 | 0 | 0 | 0 | 109.2 | A19 R23 | A19-P21 WeakPolarHBondContact O-CD 3.41Å; P21-R23 PolarHBondContact O-N 2.66Å | ||
| 22 | S | 78.7 | Confident | 78 | Confident | 128 Ų | 128 | 120.8 Ų | 120.8 | 90% | 0.895 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -74.1 | -11.2 | 177.1 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | N20 | N20-S22 PolarHBondContact O-N 3.26Š|
| 23 | R | 78.9 | Confident | 79 | Confident | 214 Ų | 214 | 118.7 Ų | 118.7 | 81% | 0.808 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -118.9 | 124.1 | -178.9 | -176.7 | 178.7 | -67.8 | 135.1 | -0.6 | 109.5 | P21 | P21-R23 PolarHBondContact O-N 2.66Š|
| 24 | L | 77 | Confident | 79.8 | Confident | 133 Ų | 133 | 118.7 Ų | 118.7 | 70% | 0.696 | 62% | 0.619 | S | S | * | * | trans | -67.3 | 130 | 163.5 | -60.6 | 177.1 | 0 | 0 | 0 | 108.2 | ||||
| 25 | G | 81.6 | Confident | 80.4 | Confident | 62 Ų | 62 | 119.5 Ų | 119.5 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | trans | -61.7 | 176 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q27 | G25-Q27 PolarHBondContact O-N 3.33Š| ||
| 26 | E | 83.3 | Confident | 80.9 | Confident | 182 Ų | 182 | 123.4 Ų | 123.4 | 85% | 0.85 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 118.2 | 175 | -64.2 | -170.7 | 153.6 | 0 | 0 | 110.7 | ||
| 27 | Q | 81.9 | Confident | 81.5 | Confident | 137 Ų | 137 | 122.1 Ų | 122.1 | 64% | 0.64 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 117.9 | 172.8 | -64.3 | -150.5 | 91.5 | 0 | 0 | 110.2 | G25 | G25-Q27 PolarHBondContact O-N 3.33Š|
| 28 | R | 83 | Confident | 82.2 | Confident | 226 Ų | 226 | 118.2 Ų | 118.2 | 85% | 0.853 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 116.7 | 176.7 | -69.1 | -179.2 | 155.8 | -155.4 | -7.4 | 109.5 | G30 | R28-G30 PolarHBondContact O-N 3.12Š|
| 29 | F | 80.6 | Confident | 83 | Confident | 96 Ų | 96 | 118.8 Ų | 118.8 | 42% | 0.421 | 60% | 0.601 | S | S | . | * | trans | -76.6 | 3.1 | 179.8 | -71.7 | -84.6 | 0 | 0 | 0 | 114.7 | V33 L50 | F29-V33 HydrophobicContact CB-CB 3.89Å; F29-V33 HydrophobicContact CB-CG1 3.93Å; F29-V33 HydrophobicContact CB-CG2 3.87Å; F29-V33 HydrophobicContact CG-CG1 4.33Å; F29-L50 HydrophobicContact CE1-CB 4.24Å; F29-L50 HydrophobicContact CZ-CB 3.78Å; F29-L50 HydrophobicContact CZ-CD1 3.89Å; F29-L50 HydrophobicContact CZ-CG 4.49Å | ||
| 30 | G | 80.9 | Confident | 83.6 | Confident | 57 Ų | 57 | 119 Ų | 119 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | trans | 85.1 | -178.2 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | R28 | R28-G30 PolarHBondContact O-N 3.12Š| ||
| 31 | E | 80 | Confident | 84.4 | Confident | 181 Ų | 181 | 118 Ų | 118 | 85% | 0.846 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 152.1 | 174.8 | -62.1 | -176.8 | 120.3 | 0 | 0 | 110.1 | ||
| 32 | D | 81.7 | Confident | 85.5 | Confident | 46 Ų | 46 | 119.5 Ų | 119.5 | 25% | 0.246 | 61% | 0.607 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 74.5 | 23.3 | 177.3 | -143.1 | 35.6 | 0 | 0 | 0 | 115.5 | G55 R57 | D32-G55 VanDerWaalsContact O-CA 3.31Å; D32-G55 WeakPolarHBondContact O-CA 3.34Å; D32-G55 PolarHBondContact O-N 3.5Å; D32-G55 WeakPolarHBondContact OD2-CA 3.37Å; D32-R57 WeakPolarHBondContact OD1-CG 3.49Å; D32-R57 IonicContact OD1-CZ 3.8Å; D32-R57 IonicContact OD1-NE 2.93Å; D32-R57 PolarHBondContact OD1-NE 3.07Å; D32-R57 IonicContact OD1-NH2 3.83Å; D32-R57 PolarHBondContact OD2-N 2.89Å; D32-R57 IonicContact OD2-NE 3.99Å |
| 33 | V | 86.2 | Confident | 86.2 | Confident | 34 Ų | 34 | 115 Ų | 115 | 21% | 0.206 | 58% | 0.576 | C | S | . | * | B | Isolated β-bridge | trans | -107.1 | 124.5 | 166.2 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | F29 P35 V38 A52 | F29-V33 HydrophobicContact CB-CB 3.89Å; F29-V33 HydrophobicContact CB-CG1 3.93Å; F29-V33 HydrophobicContact CB-CG2 3.87Å; F29-V33 HydrophobicContact CG-CG1 4.33Å; V33-P35 WeakPolarHBondContact O-CD 3.31Å; V33-V38 HydrophobicContact CG1-CG2 4.38Å; V33-A52 HydrophobicContact CG1-CB 3.47Å; V33-A52 VanDerWaalsContact CG1-CB 3.47Å |
| 34 | D | 85.3 | Confident | 87.1 | Confident | 61 Ų | 61 | 113.3 Ų | 113.3 | 33% | 0.326 | 58% | 0.577 | S | S | . | * | trans | -80.1 | 117.1 | 174.3 | 178.8 | 2.6 | 0 | 0 | 0 | 109.8 | W36 R37 | D34-W36 PolarHBondContact O-N 2.9Å; D34-W36 VanDerWaalsContact O-N 3.16Å; D34-W36 WeakPolarHBondContact OD1-CB 3.35Å; D34-W36 PolarHBondContact OD1-N 2.87Å; D34-R37 HydrophobicContact CB-CB 4.21Å; D34-R37 HydrophobicContact CB-CG 4.05Å; D34-R37 PolarHBondContact O-N 2.81Å; D34-R37 VanDerWaalsContact OD2-CD 3.28Å; D34-R37 WeakPolarHBondContact OD2-CD 3.45Å; D34-R37 WeakPolarHBondContact OD2-CG 3.48Å | ||
| 35 | P | 85.9 | Confident | 87.9 | Confident | 101 Ų | 101 | 112.4 Ų | 112.4 | 66% | 0.656 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -56.6 | -30.7 | 178.5 | -24.2 | 34.7 | 0 | 0 | 0 | 113.6 | V33 R37 V38 | V33-P35 WeakPolarHBondContact O-CD 3.31Å; P35-R37 PolarHBondContact O-N 2.9Å; P35-V38 WeakPolarHBondContact O-CG2 3.42Å; P35-V38 PolarHBondContact O-N 3.38Å |
| 36 | W | 89.3 | Confident | 88.5 | Confident | 240 Ų | 240 | 112.1 Ų | 112.1 | 91% | 0.909 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -74.6 | -14.5 | -179.7 | -60.5 | 107.4 | 0 | 0 | 0 | 113.5 | D34 | D34-W36 PolarHBondContact O-N 2.9Å; D34-W36 VanDerWaalsContact O-N 3.16Å; D34-W36 WeakPolarHBondContact OD1-CB 3.35Å; D34-W36 PolarHBondContact OD1-N 2.87Å |
| 37 | R | 90.2 | Very high | 89 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 44% | 0.442 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -100.9 | -0.2 | 179.5 | -63.7 | 172.4 | 72.7 | -148.8 | 4 | 112.8 | D34 P35 P53 | D34-R37 HydrophobicContact CB-CB 4.21Å; D34-R37 HydrophobicContact CB-CG 4.05Å; D34-R37 PolarHBondContact O-N 2.81Å; D34-R37 VanDerWaalsContact OD2-CD 3.28Å; D34-R37 WeakPolarHBondContact OD2-CD 3.45Å; D34-R37 WeakPolarHBondContact OD2-CG 3.48Å; P35-R37 PolarHBondContact O-N 2.9Å; R37-P53 HydrophobicContact CB-CG 3.67Å; R37-P53 HydrophobicContact CG-CG 4.42Å; R37-P53 VanDerWaalsContact NE-CG 3.33Å; R37-P53 VanDerWaalsContact NH2-CB 3.31Å; R37-P53 VanDerWaalsContact O-CD 3.32Å; R37-P53 WeakPolarHBondContact O-CD 3.37Å |
| 38 | V | 91.6 | Very high | 89.5 | Confident | 48 Ų | 48 | 106 Ų | 106 | 29% | 0.291 | 55% | 0.546 | S | S | . | . | trans | -67.6 | 132.3 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | V33 P35 E51 A52 | V33-V38 HydrophobicContact CG1-CG2 4.38Å; P35-V38 WeakPolarHBondContact O-CG2 3.42Å; P35-V38 PolarHBondContact O-N 3.38Å; V38-E51 CarbonylContact C-O 3.59Å; V38-E51 WeakPolarHBondContact CA-O 3.28Å; V38-A52 HydrophobicContact CB-CB 4.34Å; V38-A52 HydrophobicContact CG2-CB 3.8Å | ||
| 39 | R | 93.3 | Very high | 89.9 | Confident | 193 Ų | 193 | 98.7 Ų | 98.7 | 73% | 0.728 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.8 | 175.5 | -63.1 | -178.7 | 178.9 | -174 | -1.7 | 109 | L50 E51 | R39-L50 CarbonylContact O-C 3.12Å; R39-L50 WeakPolarHBondContact O-CA 3.49Å; R39-E51 PolarHBondContact N-O 2.81Å; R39-E51 PolarHBondContact O-N 3.2Å |
| 40 | A | 93.5 | Very high | 90.5 | Very high | 74 Ų | 74 | 97.2 Ų | 97.2 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L48 N49 L50 | A40-L48 HydrophobicContact CB-CD1 4.25Å; A40-N49 CarbonylContact C-O 3.6Å; A40-N49 WeakPolarHBondContact CA-O 3.29Å; A40-L50 HydrophobicContact CB-CD2 3.6Å |
| 41 | A | 95.8 | Very high | 91 | Very high | 53 Ų | 53 | 101 Ų | 101 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 124.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N49 | A41-N49 PolarHBondContact N-O 2.9Å; A41-N49 PolarHBondContact O-N 2.93Å |
| 42 | L | 96 | Very high | 91.4 | Very high | 127 Ų | 127 | 93.8 Ų | 93.8 | 67% | 0.665 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.4 | 172.2 | -177.2 | 64 | 0 | 0 | 0 | 108.8 | L48 | L42-L48 HydrophobicContact CD1-CB 4.3Å |
| 43 | S | 95.3 | Very high | 91.7 | Very high | 33 Ų | 33 | 94 Ų | 94 | 23% | 0.231 | 50% | 0.497 | C | S | . | . | trans | -75.2 | 161.9 | 174.4 | 63 | 0 | 0 | 0 | 0 | 111.9 | D45 G46 I47 | S43-D45 PolarHBondContact O-N 3.48Å; S43-G46 PolarHBondContact O-N 3.24Å; S43-G46 VanDerWaalsContact O-N 3.07Å; S43-I47 PolarHBondContact N-O 2.66Å; S43-I47 WeakPolarHBondContact OG-CA 3.4Å; S43-I47 WeakPolarHBondContact OG-CB 3.32Å; S43-I47 PolarHBondContact OG-N 3.14Å; S43-I47 VanDerWaalsContact OG-N 3.12Å; S43-I47 PolarHBondContact OG-O 3.43Å | ||
| 44 | H | 96 | Very high | 91.5 | Very high | 178 Ų | 178 | 101.6 Ų | 101.6 | 82% | 0.824 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.2 | 176.7 | 69.2 | -70 | 0 | 0 | 0 | 113.7 | G46 | H44-G46 PolarHBondContact O-N 3.43Š|
| 45 | D | 95.6 | Very high | 91.2 | Very high | 114 Ų | 114 | 99.6 Ų | 99.6 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 3.3 | 176.5 | -57.9 | -50.1 | 0 | 0 | 0 | 113.2 | S43 | S43-D45 PolarHBondContact O-N 3.48Š|
| 46 | G | 93.3 | Very high | 90.2 | Very high | 57 Ų | 57 | 98.5 Ų | 98.5 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 81.7 | 11.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | S43 H44 | S43-G46 PolarHBondContact O-N 3.24Å; S43-G46 VanDerWaalsContact O-N 3.07Å; H44-G46 PolarHBondContact O-N 3.43Å |
| 47 | I | 92.9 | Very high | 88.9 | Confident | 99 Ų | 99 | 95.2 Ų | 95.2 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | trans | -89.1 | 121.8 | 177.1 | -54.3 | 172 | 0 | 0 | 0 | 109.6 | S43 | S43-I47 PolarHBondContact N-O 2.66Å; S43-I47 WeakPolarHBondContact OG-CA 3.4Å; S43-I47 WeakPolarHBondContact OG-CB 3.32Å; S43-I47 PolarHBondContact OG-N 3.14Å; S43-I47 VanDerWaalsContact OG-N 3.12Å; S43-I47 PolarHBondContact OG-O 3.43Å | ||
| 48 | L | 92.5 | Very high | 87.5 | Confident | 91 Ų | 91 | 97.2 Ų | 97.2 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 114.1 | 171.9 | 178.8 | 64.3 | 0 | 0 | 0 | 110.1 | A40 L42 L50 | A40-L48 HydrophobicContact CB-CD1 4.25Å; L42-L48 HydrophobicContact CD1-CB 4.3Å; L48-L50 HydrophobicContact CG-CD2 4.39Å |
| 49 | N | 93.2 | Very high | 86.1 | Confident | 73 Ų | 73 | 100.5 Ų | 100.5 | 39% | 0.39 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.9 | 175.9 | -63.1 | -45.2 | 0 | 0 | 0 | 110.2 | A40 A41 | A40-N49 CarbonylContact C-O 3.6Å; A40-N49 WeakPolarHBondContact CA-O 3.29Å; A41-N49 PolarHBondContact N-O 2.9Å; A41-N49 PolarHBondContact O-N 2.93Å |
| 50 | L | 91.6 | Very high | 84.6 | Confident | 65 Ų | 65 | 98.1 Ų | 98.1 | 34% | 0.34 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.6 | 174.4 | -59 | 177.5 | 0 | 0 | 0 | 108.9 | F29 R39 A40 L48 | F29-L50 HydrophobicContact CE1-CB 4.24Å; F29-L50 HydrophobicContact CZ-CB 3.78Å; F29-L50 HydrophobicContact CZ-CD1 3.89Å; F29-L50 HydrophobicContact CZ-CG 4.49Å; R39-L50 CarbonylContact O-C 3.12Å; R39-L50 WeakPolarHBondContact O-CA 3.49Å; A40-L50 HydrophobicContact CB-CD2 3.6Å; L48-L50 HydrophobicContact CG-CD2 4.39Å |
| 51 | E | 91.4 | Very high | 83.3 | Confident | 135 Ų | 135 | 99.3 Ų | 99.3 | 63% | 0.631 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.1 | -179.6 | -67.9 | 178.2 | -161.2 | 0 | 0 | 109.8 | V38 R39 | V38-E51 CarbonylContact C-O 3.59Å; V38-E51 WeakPolarHBondContact CA-O 3.28Å; R39-E51 PolarHBondContact N-O 2.81Å; R39-E51 PolarHBondContact O-N 3.2Å |
| 52 | A | 89.2 | Confident | 82.4 | Confident | 30 Ų | 30 | 105 Ų | 105 | 25% | 0.248 | 56% | 0.559 | C | S | . | * | trans | -143 | 133.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V33 V38 R54 | V33-A52 HydrophobicContact CG1-CB 3.47Å; V33-A52 VanDerWaalsContact CG1-CB 3.47Å; V38-A52 HydrophobicContact CB-CB 4.34Å; V38-A52 HydrophobicContact CG2-CB 3.8Å; A52-R54 PolarHBondContact O-N 3.04Å | ||
| 53 | P | 87.2 | Confident | 81.7 | Confident | 50 Ų | 50 | 104.8 Ų | 104.8 | 33% | 0.325 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 131.7 | 172.1 | 27.6 | -33.1 | 0 | 0 | 0 | 109.1 | R37 G55 | R37-P53 HydrophobicContact CB-CG 3.67Å; R37-P53 HydrophobicContact CG-CG 4.42Å; R37-P53 VanDerWaalsContact NE-CG 3.33Å; R37-P53 VanDerWaalsContact NH2-CB 3.31Å; R37-P53 VanDerWaalsContact O-CD 3.32Å; R37-P53 WeakPolarHBondContact O-CD 3.37Å; P53-G55 PolarHBondContact O-N 2.94Å |
| 54 | R | 83.6 | Confident | 81.1 | Confident | 194 Ų | 194 | 109.7 Ų | 109.7 | 73% | 0.732 | 59% | 0.587 | S | S | * | * | B | Isolated β-bridge | trans | -61.6 | 138.9 | 168.5 | -63.7 | -176.8 | 69.6 | 173.4 | 0.3 | 108.7 | A52 G56 | A52-R54 PolarHBondContact O-N 3.04Å; R54-G56 PolarHBondContact O-N 3.26Å |
| 55 | G | 77.3 | Confident | 80.8 | Confident | 19 Ų | 19 | 107.1 Ų | 107.1 | 20% | 0.196 | 58% | 0.575 | C | S | . | * | P | Polyproline II helix | trans | -52.8 | 133.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | D32 P53 R57 | D32-G55 VanDerWaalsContact O-CA 3.31Å; D32-G55 WeakPolarHBondContact O-CA 3.34Å; D32-G55 PolarHBondContact O-N 3.5Å; D32-G55 WeakPolarHBondContact OD2-CA 3.37Å; P53-G55 PolarHBondContact O-N 2.94Å; G55-R57 PolarHBondContact O-N 3.01Å; G55-R57 VanDerWaalsContact O-N 3.14Å |
| 56 | G | 65.2 | Low | 80.5 | Confident | 78 Ų | 78 | 107 Ų | 107 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | trans | -85.7 | 52.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R54 H58 | R54-G56 PolarHBondContact O-N 3.26Å; G56-H58 PolarHBondContact O-N 2.96Å | ||
| 57 | R | 63.1 | Low | 80.3 | Confident | 171 Ų | 171 | 113.1 Ų | 113.1 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | trans | -63.6 | 93.7 | 145.4 | -58.1 | -178.1 | -150.5 | -158.4 | 3.5 | 102.2 | D32 G55 L59 | D32-R57 WeakPolarHBondContact OD1-CG 3.49Å; D32-R57 IonicContact OD1-CZ 3.8Å; D32-R57 IonicContact OD1-NE 2.93Å; D32-R57 PolarHBondContact OD1-NE 3.07Å; D32-R57 IonicContact OD1-NH2 3.83Å; D32-R57 PolarHBondContact OD2-N 2.89Å; D32-R57 IonicContact OD2-NE 3.99Å; G55-R57 PolarHBondContact O-N 3.01Å; G55-R57 VanDerWaalsContact O-N 3.14Å; R57-L59 PolarHBondContact O-N 3.42Å | ||
| 58 | H | 60.3 | Low | 80.2 | Confident | 159 Ų | 159 | 115.3 Ų | 115.3 | 74% | 0.736 | 60% | 0.596 | S | S | * | * | trans | -53.4 | 91 | 155 | -153.8 | -104.1 | 0 | 0 | 0 | 101.3 | G56 D60 | G56-H58 PolarHBondContact O-N 2.96Å; H58-D60 IonicContact ND1-OD1 3.54Å; H58-D60 PolarHBondContact O-N 3.32Å | ||
| 59 | L | 62.4 | Low | 80.1 | Confident | 117 Ų | 117 | 116.3 Ų | 116.3 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | trans | -54.3 | 116.9 | 159 | -61.8 | 175.6 | 0 | 0 | 0 | 99.1 | R57 T61 | R57-L59 PolarHBondContact O-N 3.42Å; L59-T61 WeakPolarHBondContact CB-OG1 3.36Å; L59-T61 PolarHBondContact O-N 2.74Å | ||
| 60 | D | 61.5 | Low | 79.8 | Confident | 144 Ų | 144 | 120.5 Ų | 120.5 | 77% | 0.77 | 63% | 0.632 | S | S | * | * | trans | -63.8 | 54.9 | 159.2 | -59.8 | -44.3 | 0 | 0 | 0 | 106.2 | H58 E62 | H58-D60 IonicContact ND1-OD1 3.54Å; H58-D60 PolarHBondContact O-N 3.32Å; D60-E62 PolarHBondContact O-N 3.44Å | ||
| 61 | T | 65.5 | Low | 79.6 | Confident | 98 Ų | 98 | 124.9 Ų | 124.9 | 60% | 0.601 | 66% | 0.655 | S | S | * | * | trans | -68.6 | 88 | 167.9 | -62.2 | 0 | 0 | 0 | 0 | 101.6 | L59 V63 | L59-T61 WeakPolarHBondContact CB-OG1 3.36Å; L59-T61 PolarHBondContact O-N 2.74Å; T61-V63 PolarHBondContact O-N 3.44Å; T61-V63 VanDerWaalsContact O-N 3.09Å | ||
| 62 | E | 76.6 | Confident | 79.2 | Confident | 173 Ų | 173 | 124 Ų | 124 | 81% | 0.808 | 66% | 0.66 | S | S | * | * | trans | -41.7 | 121.1 | 156.4 | -65.7 | -176.4 | 162 | 0 | 0 | 106.1 | D60 N64 | D60-E62 PolarHBondContact O-N 3.44Å; E62-N64 PolarHBondContact O-N 3.05Å | ||
| 63 | V | 81.3 | Confident | 79 | Confident | 123 Ų | 123 | 126.8 Ų | 126.8 | 75% | 0.745 | 68% | 0.684 | S | S | * | * | trans | -60.1 | 108.8 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 105.7 | T61 E65 | T61-V63 PolarHBondContact O-N 3.44Å; T61-V63 VanDerWaalsContact O-N 3.09Å; V63-E65 HydrophobicContact CG1-CG 4.13Å; V63-E65 PolarHBondContact O-N 2.94Å | ||
| 64 | N | 84 | Confident | 78.8 | Confident | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -78.2 | 95.1 | 174.5 | -175.3 | 30.4 | 0 | 0 | 0 | 108.3 | E62 V66 | E62-N64 PolarHBondContact O-N 3.05Å; N64-V66 PolarHBondContact O-N 3.2Å | ||
| 65 | E | 88.2 | Confident | 78.6 | Confident | 124 Ų | 124 | 124.9 Ų | 124.9 | 58% | 0.579 | 70% | 0.696 | S | S | * | * | trans | -72 | 108.9 | 171.9 | -65.1 | -174 | 172.6 | 0 | 0 | 109.6 | V63 Y67 | V63-E65 HydrophobicContact CG1-CG 4.13Å; V63-E65 PolarHBondContact O-N 2.94Å; E65-Y67 HydrophobicContact CB-CE2 4.16Å; E65-Y67 PolarHBondContact OE2-OH 3.01Å | ||
| 66 | V | 90 | Very high | 78.6 | Confident | 110 Ų | 110 | 129.2 Ų | 129.2 | 67% | 0.667 | 72% | 0.715 | S | S | * | * | trans | -97.8 | 114.4 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 109 | N64 | N64-V66 PolarHBondContact O-N 3.2Š| ||
| 67 | Y | 90 | Very high | 79.1 | Confident | 187 Ų | 187 | 130.4 Ų | 130.4 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 121.4 | 175.4 | -67 | -89.7 | 0 | 0 | 0 | 110.4 | E65 | E65-Y67 HydrophobicContact CB-CE2 4.16Å; E65-Y67 PolarHBondContact OE2-OH 3.01Å |
| 68 | I | 90.6 | Very high | 79.4 | Confident | 145 Ų | 145 | 130 Ų | 130 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 131 | 172.7 | 57.9 | 172.5 | 0 | 0 | 0 | 109.8 | ||
| 69 | S | 89.1 | Confident | 79.4 | Confident | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 125.4 | 170.6 | -62.2 | 0 | 0 | 0 | 0 | 108.8 | L71 | S69-L71 PolarHBondContact O-N 3.16Š|
| 70 | L | 88.6 | Confident | 79.3 | Confident | 161 Ų | 161 | 129.3 Ų | 129.3 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -75.9 | 115.8 | 170.3 | -64 | 173.3 | 0 | 0 | 0 | 107.8 | ||||
| 71 | L | 86.3 | Confident | 79.3 | Confident | 158 Ų | 158 | 128.1 Ų | 128.1 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 145 | 167.3 | -67.2 | 172.6 | 0 | 0 | 0 | 108.7 | S69 | S69-L71 PolarHBondContact O-N 3.16Š|
| 72 | P | 84.2 | Confident | 79 | Confident | 115 Ų | 115 | 130.6 Ų | 130.6 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 147.2 | 172.3 | 25.3 | -32.9 | 0 | 0 | 0 | 109.7 | ||
| 73 | A | 84.9 | Confident | 78.1 | Confident | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 136.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 74 | P | 81.7 | Confident | 77.1 | Confident | 111 Ų | 111 | 126.4 Ų | 126.4 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 144.4 | 172.4 | 20.6 | -27.8 | 0 | 0 | 0 | 109.4 | D76 | P74-D76 PolarHBondContact O-N 2.94Š|
| 75 | P | 79.2 | Confident | 76.1 | Confident | 92 Ų | 92 | 128.9 Ų | 128.9 | 60% | 0.597 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 137.2 | 180 | 24.3 | -32.7 | 0 | 0 | 0 | 109.7 | ||
| 76 | D | 78.8 | Confident | 74.5 | Confident | 110 Ų | 110 | 128.6 Ų | 128.6 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 131.2 | 172.9 | -73.2 | -47.1 | 0 | 0 | 0 | 107.9 | P74 E78 E79 | P74-D76 PolarHBondContact O-N 2.94Å; D76-E78 PolarHBondContact O-N 2.8Å; D76-E79 PolarHBondContact O-N 3.1Å; D76-E79 VanDerWaalsContact O-N 3.13Å |
| 77 | P | 75.4 | Confident | 72.7 | Confident | 103 Ų | 103 | 131.5 Ų | 131.5 | 67% | 0.669 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -9.6 | -176.2 | 25.4 | -34.8 | 0 | 0 | 0 | 113.4 | ||
| 78 | E | 68.4 | Low | 71 | Confident | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -26.3 | -179.7 | -57.3 | -174.9 | 175.3 | 0 | 0 | 112.7 | D76 | D76-E78 PolarHBondContact O-N 2.8Š|
| 79 | E | 61.2 | Low | 70.1 | Confident | 134 Ų | 134 | 131.6 Ų | 131.6 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -81.3 | -26.5 | -179.4 | -70.7 | -174.5 | 164.7 | 0 | 0 | 113 | D76 E81 E82 I83 | D76-E79 PolarHBondContact O-N 3.1Å; D76-E79 VanDerWaalsContact O-N 3.13Å; E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 PolarHBondContact O-N 2.99Å; E79-E82 PolarHBondContact O-N 3.37Å; E79-I83 WeakPolarHBondContact O-CG1 3.46Å; E79-I83 PolarHBondContact O-N 2.74Å |
| 80 | E | 59.9 | Low | 69.1 | Low | 128 Ų | 128 | 132.7 Ų | 132.7 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -66.6 | -26.5 | 175.3 | -82.3 | -176.6 | 158.3 | 0 | 0 | 112.8 | I83 A84 | E80-I83 HydrophobicContact CG-CD1 4.47Å; E80-A84 PolarHBondContact O-N 3.19Å |
| 81 | E | 60.7 | Low | 68 | Low | 118 Ų | 118 | 131.1 Ų | 131.1 | 55% | 0.551 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -77.9 | -25.4 | 178.1 | -143.5 | -170.2 | 140.2 | 0 | 0 | 112.5 | E79 R85 | E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 PolarHBondContact O-N 2.99Å; E81-R85 WeakPolarHBondContact O-CG 3.47Å; E81-R85 IonicContact OE1-CZ 3.61Å; E81-R85 IonicContact OE1-NE 3.61Å; E81-R85 IonicContact OE1-NH2 2.82Å; E81-R85 PolarHBondContact OE1-NH2 3.22Å |
| 82 | E | 60.6 | Low | 66.9 | Low | 150 Ų | 150 | 129.5 Ų | 129.5 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -77 | -40.7 | 178.1 | -169 | 171.6 | 142 | 0 | 0 | 111.7 | E79 A84 R85 | E79-E82 PolarHBondContact O-N 3.37Å; E82-A84 VanDerWaalsContact C-N 3.27Å; E82-A84 PolarHBondContact O-N 2.96Å; E82-R85 PolarHBondContact O-N 2.85Å; E82-R85 VanDerWaalsContact O-N 3.16Å |
| 83 | I | 57.5 | Low | 65.8 | Low | 128 Ų | 128 | 130.4 Ų | 130.4 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -64.9 | -30.1 | 174.4 | 10.5 | 168.5 | 0 | 0 | 0 | 112.4 | E79 E80 R85 | E79-I83 WeakPolarHBondContact O-CG1 3.46Å; E79-I83 PolarHBondContact O-N 2.74Å; E80-I83 HydrophobicContact CG-CD1 4.47Å; I83-R85 VanDerWaalsContact C-N 3.28Å; I83-R85 PolarHBondContact O-N 3.3Å |
| 84 | A | 60.3 | Low | 64.5 | Low | 80 Ų | 80 | 133.1 Ų | 133.1 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -14 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E80 E82 | E80-A84 PolarHBondContact O-N 3.19Å; E82-A84 VanDerWaalsContact C-N 3.27Å; E82-A84 PolarHBondContact O-N 2.96Å |
| 85 | R | 63.4 | Low | 63.3 | Low | 189 Ų | 189 | 134.7 Ų | 134.7 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -5.5 | -179.7 | -71.7 | -174 | -174.7 | -149.1 | 7.9 | 114.2 | E81 E82 I83 | E81-R85 WeakPolarHBondContact O-CG 3.47Å; E81-R85 IonicContact OE1-CZ 3.61Å; E81-R85 IonicContact OE1-NE 3.61Å; E81-R85 IonicContact OE1-NH2 2.82Å; E81-R85 PolarHBondContact OE1-NH2 3.22Å; E82-R85 PolarHBondContact O-N 2.85Å; E82-R85 VanDerWaalsContact O-N 3.16Å; I83-R85 VanDerWaalsContact C-N 3.28Å; I83-R85 PolarHBondContact O-N 3.3Å |
| 86 | V | 53.1 | Low | 62.1 | Low | 117 Ų | 117 | 138 Ų | 138 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | trans | -108.4 | 55.2 | 176.6 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 87 | E | 53.6 | Low | 60.7 | Low | 171 Ų | 171 | 140.3 Ų | 140.3 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | trans | -107 | 132.3 | 153.1 | -77.2 | -161 | 126.5 | 0 | 0 | 108.7 | ||||
| 88 | P | 54.3 | Low | 59.4 | Low | 203 Ų | 203 | 143.7 Ų | 143.7 | 100% | 1.318 | 74% | 0.736 | S | S | * | * | trans | -75.1 | 0 | -163 | 31.1 | -37 | 0 | 0 | 0 | 115.8 |
Retrieved 88 of 88 residues in 113.7 ms
(Link to these results)