| 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 | 76.1 | Confident | 88.3 | Confident | 194 Ų | 194 | 124.4 Ų | 124.4 | 96% | 0.956 | 63% | 0.625 | S | S | * | * | 0 | 98.1 | 0 | -68.3 | -151.7 | -61.6 | 0 | 0 | 107.9 | T16 | M1-T16 PolarHBondContact N-OG1 3.28Š| |||
| 2 | S | 84.4 | Confident | 88.6 | Confident | 56 Ų | 56 | 119.1 Ų | 119.1 | 39% | 0.392 | 60% | 0.599 | S | S | . | * | trans | -56 | 153.2 | 168.7 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | F14 D19 | S2-F14 CarbonylContact C-O 3.32Å; S2-F14 WeakPolarHBondContact CA-O 3.01Å; S2-F14 VanDerWaalsContact CB-O 3.24Å; S2-F14 WeakPolarHBondContact CB-O 3.1Å; S2-D19 WeakPolarHBondContact CB-OD2 3.24Å; S2-D19 PolarHBondContact N-OD2 2.86Å; S2-D19 PolarHBondContact OG-OD2 2.96Å | ||
| 3 | Y | 87 | Confident | 88.7 | Confident | 139 Ų | 139 | 117.8 Ų | 117.8 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144.7 | 151.1 | 176.5 | 73.3 | -84.7 | 0 | 0 | 0 | 111.8 | F14 | Y3-F14 HydrophobicContact CD1-CB 3.92Å; Y3-F14 HydrophobicContact CD2-CD2 4.27Å; Y3-F14 HydrophobicContact CE1-CB 3.6Å; Y3-F14 HydrophobicContact CE1-CD2 4.24Å; Y3-F14 HydrophobicContact CE1-CG 4.01Å; Y3-F14 HydrophobicContact CE2-CB 4.43Å; Y3-F14 AromaticContact CE2-CD2 3.63Å; Y3-F14 HydrophobicContact CE2-CD2 3.63Å; Y3-F14 HydrophobicContact CE2-CE2 4.24Å; Y3-F14 HydrophobicContact CE2-CG 4.24Å; Y3-F14 HydrophobicContact CG-CB 4.46Å; Y3-F14 AromaticContact CZ-CD2 3.6Å; Y3-F14 AromaticContact CZ-CG 3.76Å; Y3-F14 PolarHBondContact N-O 3.48Å; Y3-F14 PolarHBondContact O-N 2.92Å |
| 4 | C | 89.4 | Confident | 88.8 | Confident | 74 Ų | 74 | 115.6 Ų | 115.6 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.5 | 177 | -66.3 | 0 | 0 | 0 | 0 | 110.5 | I12 | C4-I12 CarbonylContact C-O 3.42Å; C4-I12 WeakPolarHBondContact CA-O 3.37Å |
| 5 | K | 92.8 | Very high | 88.8 | Confident | 102 Ų | 102 | 113.3 Ų | 113.3 | 44% | 0.443 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.5 | 164.9 | -166 | -173.3 | -174.7 | -167.8 | 0 | 108.7 | E7 I12 F14 | K5-E7 HydrophobicContact CD-CG 4.22Å; K5-E7 WeakPolarHBondContact CE-OE1 3.11Å; K5-E7 HydrophobicContact CG-CG 4.42Å; K5-E7 IonicContact NZ-OE1 2.61Å; K5-E7 PolarHBondContact NZ-OE1 2.04Å; K5-I12 PolarHBondContact N-O 3.19Å; K5-I12 PolarHBondContact O-N 2.9Å; K5-F14 HydrophobicContact CB-CE2 4.11Å |
| 6 | Q | 91.9 | Very high | 88.8 | Confident | 138 Ų | 138 | 108.9 Ų | 108.9 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.7 | 177.2 | -156 | 163.1 | 20.9 | 0 | 0 | 109.1 | D10 R11 | Q6-D10 WeakPolarHBondContact CA-O 3.33Å; Q6-R11 HydrophobicContact CG-CG 4.11Å |
| 7 | E | 88 | Confident | 88.6 | Confident | 99 Ų | 99 | 110.8 Ų | 110.8 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 100.2 | 178.6 | -64.8 | -158.9 | 151.7 | 0 | 0 | 108.8 | K5 K9 D10 I12 | K5-E7 HydrophobicContact CD-CG 4.22Å; K5-E7 WeakPolarHBondContact CE-OE1 3.11Å; K5-E7 HydrophobicContact CG-CG 4.42Å; K5-E7 IonicContact NZ-OE1 2.61Å; K5-E7 PolarHBondContact NZ-OE1 2.04Å; E7-K9 PolarHBondContact O-N 2.93Å; E7-K9 VanDerWaalsContact O-N 3.16Å; E7-D10 PolarHBondContact N-O 2.9Å; E7-D10 PolarHBondContact O-N 3.15Å; E7-D10 VanDerWaalsContact O-N 3.09Å; E7-I12 HydrophobicContact CB-CD1 4.36Å; E7-I12 HydrophobicContact CG-CD1 4.09Å |
| 8 | G | 89.8 | Confident | 88.3 | Confident | 77 Ų | 77 | 111.5 Ų | 111.5 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.4 | -114.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 9 | K | 90.9 | Very high | 87.7 | Confident | 202 Ų | 202 | 108.9 Ų | 108.9 | 88% | 0.878 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -19.2 | 178.1 | -62.2 | -179.1 | -176.3 | 178.3 | 0 | 112.4 | E7 | E7-K9 PolarHBondContact O-N 2.93Å; E7-K9 VanDerWaalsContact O-N 3.16Å |
| 10 | D | 90.6 | Very high | 87.3 | Confident | 113 Ų | 113 | 111.1 Ų | 111.1 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91 | 138 | -166.8 | -55.5 | -57.7 | 0 | 0 | 0 | 111.3 | Q6 E7 | Q6-D10 WeakPolarHBondContact CA-O 3.33Å; E7-D10 PolarHBondContact N-O 2.9Å; E7-D10 PolarHBondContact O-N 3.15Å; E7-D10 VanDerWaalsContact O-N 3.09Å |
| 11 | R | 90.8 | Very high | 87.2 | Confident | 174 Ų | 174 | 111.6 Ų | 111.6 | 66% | 0.657 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 107.6 | 174.3 | -72.6 | -179.9 | 64.2 | 176.9 | -1.6 | 108.8 | Q6 | Q6-R11 HydrophobicContact CG-CG 4.11Å |
| 12 | I | 91.4 | Very high | 87.4 | Confident | 61 Ų | 61 | 105 Ų | 105 | 31% | 0.313 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.4 | 179.6 | -51.8 | 174.1 | 0 | 0 | 0 | 107.7 | C4 K5 E7 F14 | C4-I12 CarbonylContact C-O 3.42Å; C4-I12 WeakPolarHBondContact CA-O 3.37Å; K5-I12 PolarHBondContact N-O 3.19Å; K5-I12 PolarHBondContact O-N 2.9Å; E7-I12 HydrophobicContact CB-CD1 4.36Å; E7-I12 HydrophobicContact CG-CD1 4.09Å; I12-F14 HydrophobicContact CB-CE2 4.17Å; I12-F14 HydrophobicContact CG2-CD2 4.15Å; I12-F14 HydrophobicContact CG2-CE1 4.41Å; I12-F14 HydrophobicContact CG2-CE2 3.49Å; I12-F14 VanDerWaalsContact CG2-CE2 3.49Å; I12-F14 HydrophobicContact CG2-CZ 3.65Å |
| 13 | I | 90.1 | Very high | 87.1 | Confident | 102 Ų | 102 | 108.3 Ų | 108.3 | 52% | 0.523 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 114.9 | -179.6 | -49.7 | -176.2 | 0 | 0 | 0 | 108.5 | V15 | I13-V15 HydrophobicContact CG2-CG2 3.92Å |
| 14 | F | 90.1 | Very high | 86.5 | Confident | 88 Ų | 88 | 107 Ų | 107 | 39% | 0.386 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 101 | 174 | -68.3 | -85.4 | 0 | 0 | 0 | 108.7 | S2 Y3 K5 I12 | S2-F14 CarbonylContact C-O 3.32Å; S2-F14 WeakPolarHBondContact CA-O 3.01Å; S2-F14 VanDerWaalsContact CB-O 3.24Å; S2-F14 WeakPolarHBondContact CB-O 3.1Å; Y3-F14 HydrophobicContact CD1-CB 3.92Å; Y3-F14 HydrophobicContact CD2-CD2 4.27Å; Y3-F14 HydrophobicContact CE1-CB 3.6Å; Y3-F14 HydrophobicContact CE1-CD2 4.24Å; Y3-F14 HydrophobicContact CE1-CG 4.01Å; Y3-F14 HydrophobicContact CE2-CB 4.43Å; Y3-F14 AromaticContact CE2-CD2 3.63Å; Y3-F14 HydrophobicContact CE2-CD2 3.63Å; Y3-F14 HydrophobicContact CE2-CE2 4.24Å; Y3-F14 HydrophobicContact CE2-CG 4.24Å; Y3-F14 HydrophobicContact CG-CB 4.46Å; Y3-F14 AromaticContact CZ-CD2 3.6Å; Y3-F14 AromaticContact CZ-CG 3.76Å; Y3-F14 PolarHBondContact N-O 3.48Å; Y3-F14 PolarHBondContact O-N 2.92Å; K5-F14 HydrophobicContact CB-CE2 4.11Å; I12-F14 HydrophobicContact CB-CE2 4.17Å; I12-F14 HydrophobicContact CG2-CD2 4.15Å; I12-F14 HydrophobicContact CG2-CE1 4.41Å; I12-F14 HydrophobicContact CG2-CE2 3.49Å; I12-F14 VanDerWaalsContact CG2-CE2 3.49Å; I12-F14 HydrophobicContact CG2-CZ 3.65Å |
| 15 | V | 89.4 | Confident | 85.8 | Confident | 80 Ų | 80 | 111 Ų | 111 | 49% | 0.485 | 58% | 0.578 | S | S | . | * | trans | -87.1 | 132 | 179 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | I13 D19 H20 | I13-V15 HydrophobicContact CG2-CG2 3.92Å; V15-D19 HydrophobicContact CG1-CB 3.92Å; V15-H20 HydrophobicContact CG1-CB 3.87Å | ||
| 16 | T | 88.4 | Confident | 84.8 | Confident | 44 Ų | 44 | 109.7 Ų | 109.7 | 27% | 0.27 | 59% | 0.587 | S | S | . | * | trans | -81.7 | 152.8 | 171.7 | 42.9 | 0 | 0 | 0 | 0 | 110.6 | M1 E18 D19 H20 | M1-T16 PolarHBondContact N-OG1 3.28Å; T16-E18 PolarHBondContact O-N 3.06Å; T16-E18 VanDerWaalsContact O-N 3.16Å; T16-D19 WeakPolarHBondContact O-CA 3.36Å; T16-D19 PolarHBondContact O-N 2.67Å; T16-D19 PolarHBondContact OG1-OD1 3.13Å; T16-D19 VanDerWaalsContact OG1-OD1 3.04Å; T16-D19 PolarHBondContact OG1-OD2 2.97Å; T16-H20 PolarHBondContact O-N 2.91Å; T16-H20 VanDerWaalsContact O-N 3.07Å | ||
| 17 | K | 85.2 | Confident | 83.5 | Confident | 141 Ų | 141 | 111.2 Ų | 111.2 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -53.4 | -41.7 | -175.3 | -175.3 | 174.5 | -176.8 | -83.6 | 0 | 111.9 | D19 H20 E21 | K17-D19 VanDerWaalsContact C-N 3.32Å; K17-D19 PolarHBondContact O-N 2.93Å; K17-H20 PolarHBondContact O-N 3.49Å; K17-E21 WeakPolarHBondContact CE-OE1 3.19Å; K17-E21 IonicContact NZ-OE1 3.81Å; K17-E21 PolarHBondContact NZ-OE1 3.17Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 3.4Å |
| 18 | E | 82.6 | Confident | 82.3 | Confident | 123 Ų | 123 | 114.2 Ų | 114.2 | 58% | 0.575 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.7 | -30.5 | 179.6 | -55.3 | 72.2 | -157.3 | 0 | 0 | 112.6 | T16 | T16-E18 PolarHBondContact O-N 3.06Å; T16-E18 VanDerWaalsContact O-N 3.16Å |
| 19 | D | 78.2 | Confident | 81.1 | Confident | 63 Ų | 63 | 116.6 Ų | 116.6 | 34% | 0.337 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -81 | -21 | 177 | -68 | 23.8 | 0 | 0 | 0 | 111.1 | S2 V15 T16 K17 | S2-D19 WeakPolarHBondContact CB-OD2 3.24Å; S2-D19 PolarHBondContact N-OD2 2.86Å; S2-D19 PolarHBondContact OG-OD2 2.96Å; V15-D19 HydrophobicContact CG1-CB 3.92Å; T16-D19 WeakPolarHBondContact O-CA 3.36Å; T16-D19 PolarHBondContact O-N 2.67Å; T16-D19 PolarHBondContact OG1-OD1 3.13Å; T16-D19 VanDerWaalsContact OG1-OD1 3.04Å; T16-D19 PolarHBondContact OG1-OD2 2.97Å; K17-D19 VanDerWaalsContact C-N 3.32Å; K17-D19 PolarHBondContact O-N 2.93Å |
| 20 | H | 79.4 | Confident | 79.7 | Confident | 152 Ų | 152 | 110.6 Ų | 110.6 | 70% | 0.704 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -88.9 | -25.2 | 173.8 | -172.6 | -65.8 | 0 | 0 | 0 | 112.5 | V15 T16 K17 A22 | V15-H20 HydrophobicContact CG1-CB 3.87Å; T16-H20 PolarHBondContact O-N 2.91Å; T16-H20 VanDerWaalsContact O-N 3.07Å; K17-H20 PolarHBondContact O-N 3.49Å; H20-A22 VanDerWaalsContact C-N 3.29Å |
| 21 | E | 83.9 | Confident | 78.2 | Confident | 122 Ų | 122 | 111.7 Ų | 111.7 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.3 | -20.8 | 175 | -78 | 173.8 | 171.4 | 0 | 0 | 112.6 | K17 | K17-E21 WeakPolarHBondContact CE-OE1 3.19Å; K17-E21 IonicContact NZ-OE1 3.81Å; K17-E21 PolarHBondContact NZ-OE1 3.17Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 3.4Å |
| 22 | A | 81.9 | Confident | 76.9 | Confident | 55 Ų | 55 | 106.8 Ų | 106.8 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -78 | 129 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H20 S24 | H20-A22 VanDerWaalsContact C-N 3.29Å; A22-S24 PolarHBondContact O-N 2.97Å |
| 23 | P | 77.8 | Confident | 75.6 | Confident | 125 Ų | 125 | 109.6 Ų | 109.6 | 81% | 0.812 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.8 | 173.3 | 26 | -33.1 | 0 | 0 | 0 | 110.4 | N25 | P23-N25 PolarHBondContact O-N 3.43Š|
| 24 | S | 74.4 | Confident | 74.4 | Confident | 111 Ų | 111 | 111.2 Ų | 111.2 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -58 | 128.5 | -178.3 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | A22 A26 | A22-S24 PolarHBondContact O-N 2.97Å; S24-A26 PolarHBondContact O-N 3.34Å |
| 25 | N | 73.8 | Confident | 73 | Confident | 158 Ų | 158 | 110.1 Ų | 110.1 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | trans | -77.5 | 23.6 | 172.4 | -170 | -122.1 | 0 | 0 | 0 | 112.8 | P23 E27 | P23-N25 PolarHBondContact O-N 3.43Å; N25-E27 PolarHBondContact O-N 2.85Å | ||
| 26 | A | 71.8 | Confident | 71.7 | Confident | 75 Ų | 75 | 110.3 Ų | 110.3 | 62% | 0.62 | 62% | 0.619 | S | S | * | * | trans | -78.5 | 101.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S24 L28 | S24-A26 PolarHBondContact O-N 3.34Å; A26-L28 PolarHBondContact O-N 3.22Å | ||
| 27 | E | 66.2 | Low | 70.1 | Confident | 170 Ų | 170 | 116 Ų | 116 | 79% | 0.794 | 64% | 0.637 | S | S | * | * | trans | -66 | 114.5 | 166.8 | -67.6 | -176.8 | 145.5 | 0 | 0 | 108.4 | N25 I29 | N25-E27 PolarHBondContact O-N 2.85Å; E27-I29 PolarHBondContact O-N 3.32Å | ||
| 28 | L | 62.4 | Low | 68.7 | Low | 163 Ų | 163 | 115.2 Ų | 115.2 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | trans | -76 | 102.6 | 165.7 | -66.4 | 176.8 | 0 | 0 | 0 | 106.9 | A26 A30 | A26-L28 PolarHBondContact O-N 3.22Å; L28-A30 PolarHBondContact O-N 2.98Å | ||
| 29 | I | 64.4 | Low | 67.4 | Low | 126 Ų | 126 | 114.8 Ų | 114.8 | 65% | 0.646 | 64% | 0.637 | S | S | * | * | trans | -68.9 | 100.2 | 168.7 | -55.2 | 96.5 | 0 | 0 | 0 | 106.6 | E27 D31 D32 | E27-I29 PolarHBondContact O-N 3.32Å; I29-D31 VanDerWaalsContact C-N 3.28Å; I29-D32 HydrophobicContact CG2-CB 4.2Å | ||
| 30 | A | 61.2 | Low | 66.6 | Low | 76 Ų | 76 | 118 Ų | 118 | 63% | 0.628 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -84 | -4.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L28 | L28-A30 PolarHBondContact O-N 2.98Š|
| 31 | D | 58.4 | Low | 66.2 | Low | 137 Ų | 137 | 112.2 Ų | 112.2 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | trans | -135.7 | 59.6 | -176.3 | -58.2 | -100.5 | 0 | 0 | 0 | 109.6 | I29 P33 | I29-D31 VanDerWaalsContact C-N 3.28Å; D31-P33 WeakPolarHBondContact O-CD 3.34Å | ||
| 32 | D | 63.2 | Low | 66.1 | Low | 70 Ų | 70 | 108.9 Ų | 108.9 | 37% | 0.374 | 62% | 0.617 | S | S | . | * | trans | -88.7 | 112.9 | 167.5 | -169 | -59 | 0 | 0 | 0 | 109 | I29 N34 D35 | I29-D32 HydrophobicContact CG2-CB 4.2Å; D32-N34 PolarHBondContact O-N 3.5Å; D32-N34 WeakPolarHBondContact OD1-CA 3.44Å; D32-N34 WeakPolarHBondContact OD1-CB 3.49Å; D32-N34 PolarHBondContact OD1-N 2.03Å; D32-N34 PolarHBondContact OD1-ND2 3Å; D32-D35 HydrophobicContact CB-CB 4.31Å; D32-D35 WeakPolarHBondContact O-CB 3.23Å; D32-D35 PolarHBondContact O-N 3.46Å | ||
| 33 | P | 64.1 | Low | 66.2 | Low | 121 Ų | 121 | 109 Ų | 109 | 79% | 0.786 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 9.4 | -176.2 | 30.6 | -36.9 | 0 | 0 | 0 | 114.4 | D31 | D31-P33 WeakPolarHBondContact O-CD 3.34Š|
| 34 | N | 65.3 | Low | 66.5 | Low | 136 Ų | 136 | 106.2 Ų | 106.2 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 8.6 | 170.5 | -46.4 | -99.7 | 0 | 0 | 0 | 112.1 | D32 P36 | D32-N34 PolarHBondContact O-N 3.5Å; D32-N34 WeakPolarHBondContact OD1-CA 3.44Å; D32-N34 WeakPolarHBondContact OD1-CB 3.49Å; D32-N34 PolarHBondContact OD1-N 2.03Å; D32-N34 PolarHBondContact OD1-ND2 3Å; N34-P36 VanDerWaalsContact O-CD 3.31Å; N34-P36 WeakPolarHBondContact O-CD 3.34Å |
| 35 | D | 61.6 | Low | 66.7 | Low | 65 Ų | 65 | 106 Ų | 106 | 35% | 0.348 | 58% | 0.584 | S | S | . | * | trans | -66.6 | 118 | 176.9 | -173.9 | -91.6 | 0 | 0 | 0 | 110.4 | D32 Y37 E38 | D32-D35 HydrophobicContact CB-CB 4.31Å; D32-D35 WeakPolarHBondContact O-CB 3.23Å; D32-D35 PolarHBondContact O-N 3.46Å; D35-Y37 PolarHBondContact O-N 3.36Å; D35-Y37 VanDerWaalsContact OD1-CA 3.29Å; D35-Y37 WeakPolarHBondContact OD1-CA 3.41Å; D35-Y37 VanDerWaalsContact OD1-CB 3.23Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.44Å; D35-Y37 PolarHBondContact OD1-N 2.85Å; D35-E38 PolarHBondContact OD1-N 3.48Å | ||
| 36 | P | 61.2 | Low | 67.1 | Low | 83 Ų | 83 | 102.1 Ų | 102.1 | 54% | 0.539 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.4 | -0.8 | -174.6 | 34.1 | -36.4 | 0 | 0 | 0 | 113.3 | N34 | N34-P36 VanDerWaalsContact O-CD 3.31Å; N34-P36 WeakPolarHBondContact O-CD 3.34Å |
| 37 | Y | 55 | Low | 67.6 | Low | 164 Ų | 164 | 100 Ų | 100 | 64% | 0.643 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -21.9 | 178.5 | -55.1 | -81.1 | 0 | 0 | 0 | 112.4 | D35 D39 Q40 | D35-Y37 PolarHBondContact O-N 3.36Å; D35-Y37 VanDerWaalsContact OD1-CA 3.29Å; D35-Y37 WeakPolarHBondContact OD1-CA 3.41Å; D35-Y37 VanDerWaalsContact OD1-CB 3.23Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.44Å; D35-Y37 PolarHBondContact OD1-N 2.85Å; Y37-D39 VanDerWaalsContact C-N 3.3Å; Y37-D39 PolarHBondContact O-N 2.95Å; Y37-Q40 WeakPolarHBondContact O-CA 3.42Å; Y37-Q40 WeakPolarHBondContact O-CB 3.48Å; Y37-Q40 PolarHBondContact O-N 2.74Å |
| 38 | E | 57 | Low | 68.4 | Low | 124 Ų | 124 | 97.3 Ų | 97.3 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -59.3 | -41.2 | 171.8 | -155.4 | 172.2 | 124.4 | 0 | 0 | 111.3 | D35 Q40 G41 | D35-E38 PolarHBondContact OD1-N 3.48Å; E38-Q40 PolarHBondContact O-N 3.39Å; E38-G41 PolarHBondContact O-N 2.82Å |
| 39 | D | 55 | Low | 69.7 | Low | 115 Ų | 115 | 90 Ų | 90 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -66.4 | -12.2 | 171.5 | -100.6 | -38.4 | 0 | 0 | 0 | 114.2 | Y37 G41 P45 | Y37-D39 VanDerWaalsContact C-N 3.3Å; Y37-D39 PolarHBondContact O-N 2.95Å; D39-G41 VanDerWaalsContact C-N 3.33Å; D39-P45 WeakPolarHBondContact OD1-CG 3.1Å |
| 40 | Q | 61.2 | Low | 70.7 | Confident | 131 Ų | 131 | 86 Ų | 86 | 61% | 0.612 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -97.5 | 19.8 | 177.9 | -62 | -171.8 | -45.8 | 0 | 0 | 112.8 | Y37 E38 | Y37-Q40 WeakPolarHBondContact O-CA 3.42Å; Y37-Q40 WeakPolarHBondContact O-CB 3.48Å; Y37-Q40 PolarHBondContact O-N 2.74Å; E38-Q40 PolarHBondContact O-N 3.39Å |
| 41 | G | 70.6 | Confident | 71.9 | Confident | 30 Ų | 30 | 85.8 Ų | 85.8 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -64.8 | -174.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | E38 D39 I43 | E38-G41 PolarHBondContact O-N 2.82Å; D39-G41 VanDerWaalsContact C-N 3.33Å; G41-I43 PolarHBondContact O-N 2.87Å |
| 42 | L | 81.7 | Confident | 73.1 | Confident | 52 Ų | 52 | 86.1 Ų | 86.1 | 27% | 0.272 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -67.4 | -25.7 | 177.7 | 179.6 | 51.9 | 0 | 0 | 0 | 113.1 | I49 N50 C53 L56 F72 | L42-I49 HydrophobicContact CD1-CG2 4.04Å; L42-N50 PolarHBondContact O-N 3.11Å; L42-C53 HydrophobicContact CD1-CB 4.41Å; L42-L56 HydrophobicContact CD1-CD1 3.42Å; L42-L56 VanDerWaalsContact CD1-CD1 3.42Å; L42-L56 HydrophobicContact CD1-CD2 4.09Å; L42-L56 HydrophobicContact CD1-CG 3.44Å; L42-L56 VanDerWaalsContact CD1-CG 3.44Å; L42-F72 HydrophobicContact CD2-CE1 3.7Å; L42-F72 HydrophobicContact CD2-CZ 3.49Å; L42-F72 VanDerWaalsContact CD2-CZ 3.49Å; L42-F72 HydrophobicContact CG-CE1 4.26Å |
| 43 | I | 84.4 | Confident | 74.1 | Confident | 58 Ų | 58 | 83.3 Ų | 83.3 | 30% | 0.297 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -109.2 | 126.2 | -179.3 | -52.3 | -54.6 | 0 | 0 | 0 | 107.6 | G41 I49 H76 | G41-I43 PolarHBondContact O-N 2.87Å; I43-I49 HydrophobicContact CD1-CB 4.48Å; I43-I49 HydrophobicContact CD1-CG1 3.69Å; I43-H76 WeakPolarHBondContact CD1-CE1 3.5Å |
| 44 | L | 83.3 | Confident | 75 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | trans | -72.3 | 158.7 | 175.8 | -64.9 | 171.3 | 0 | 0 | 0 | 110.5 | S46 G47 E48 N50 | L44-S46 WeakPolarHBondContact CB-OG 3.02Å; L44-S46 PolarHBondContact O-N 3.49Å; L44-G47 PolarHBondContact O-N 2.57Å; L44-E48 WeakPolarHBondContact CB-O 3.42Å; L44-E48 HydrophobicContact CD1-CB 4.29Å; L44-E48 PolarHBondContact N-O 2.94Å; L44-N50 HydrophobicContact CD2-CB 4.06Å; L44-N50 HydrophobicContact CG-CB 4.06Å | ||
| 45 | P | 79.4 | Confident | 75.8 | Confident | 106 Ų | 106 | 82.1 Ų | 82.1 | 69% | 0.688 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -14.1 | 170.4 | -26.8 | 35.9 | 0 | 0 | 0 | 114.7 | D39 G47 | D39-P45 WeakPolarHBondContact OD1-CG 3.1Å; P45-G47 VanDerWaalsContact C-N 3.33Å |
| 46 | S | 82.2 | Confident | 76.7 | Confident | 76 Ų | 76 | 79.7 Ų | 79.7 | 53% | 0.531 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -11 | 171.4 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | L44 E48 | L44-S46 WeakPolarHBondContact CB-OG 3.02Å; L44-S46 PolarHBondContact O-N 3.49Å; S46-E48 VanDerWaalsContact C-N 3.33Å; S46-E48 WeakPolarHBondContact OG-CB 3.02Å; S46-E48 PolarHBondContact OG-N 3.37Å; S46-E48 PolarHBondContact OG-OE2 3Å |
| 47 | G | 81.4 | Confident | 77.6 | Confident | 30 Ų | 30 | 78.9 Ų | 78.9 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 78.7 | 14.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L44 P45 Y77 | L44-G47 PolarHBondContact O-N 2.57Å; P45-G47 VanDerWaalsContact C-N 3.33Å; G47-Y77 WeakPolarHBondContact O-CE1 3.19Å; G47-Y77 PolarHBondContact O-OH 2.97Å |
| 48 | E | 84.8 | Confident | 78.9 | Confident | 114 Ų | 114 | 73.2 Ų | 73.2 | 53% | 0.533 | 44% | 0.44 | S | S | . | . | trans | -99.6 | 146.9 | 175.6 | -64.1 | 172.6 | 131 | 0 | 0 | 111.2 | L44 S46 | L44-E48 WeakPolarHBondContact CB-O 3.42Å; L44-E48 HydrophobicContact CD1-CB 4.29Å; L44-E48 PolarHBondContact N-O 2.94Å; S46-E48 VanDerWaalsContact C-N 3.33Å; S46-E48 WeakPolarHBondContact OG-CB 3.02Å; S46-E48 PolarHBondContact OG-N 3.37Å; S46-E48 PolarHBondContact OG-OE2 3Å | ||
| 49 | I | 87.8 | Confident | 80.2 | Confident | 11 Ų | 11 | 70.3 Ų | 70.3 | 6% | 0.056 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 124.6 | 179.9 | -63.4 | 150.2 | 0 | 0 | 0 | 110.4 | L42 I43 W51 F72 H76 | L42-I49 HydrophobicContact CD1-CG2 4.04Å; I43-I49 HydrophobicContact CD1-CB 4.48Å; I43-I49 HydrophobicContact CD1-CG1 3.69Å; I49-W51 HydrophobicContact CB-CD2 4.43Å; I49-W51 HydrophobicContact CB-CH2 4.18Å; I49-W51 HydrophobicContact CB-CZ2 3.87Å; I49-W51 HydrophobicContact CD1-CH2 3.87Å; I49-W51 HydrophobicContact CD1-CZ2 3.88Å; I49-W51 HydrophobicContact CG2-CD2 3.85Å; I49-W51 HydrophobicContact CG2-CE3 3.74Å; I49-W51 HydrophobicContact CG2-CH2 3.77Å; I49-W51 HydrophobicContact CG2-CZ2 3.86Å; I49-W51 HydrophobicContact CG2-CZ3 3.7Å; I49-W51 PolarHBondContact O-N 3.48Å; I49-F72 HydrophobicContact CD1-CD1 3.96Å; I49-F72 HydrophobicContact CD1-CE1 4.43Å; I49-F72 HydrophobicContact CG1-CD1 4.44Å; I49-F72 HydrophobicContact CG1-CE1 4.49Å; I49-F72 HydrophobicContact CG2-CD1 4.22Å; I49-F72 HydrophobicContact CG2-CE1 4.28Å; I49-H76 HydrophobicContact CD1-CB 4.01Å; I49-H76 HydrophobicContact CG1-CB 4.5Å |
| 50 | N | 86.6 | Confident | 81.6 | Confident | 42 Ų | 42 | 65 Ų | 65 | 23% | 0.225 | 40% | 0.399 | C | S | . | . | trans | -78.5 | 85.9 | 175.4 | -177.9 | 7.2 | 0 | 0 | 0 | 111.3 | L42 L44 N52 C53 L56 | L42-N50 PolarHBondContact O-N 3.11Å; L44-N50 HydrophobicContact CD2-CB 4.06Å; L44-N50 HydrophobicContact CG-CB 4.06Å; N50-N52 PolarHBondContact O-N 3.37Å; N50-N52 PolarHBondContact OD1-N 3.09Å; N50-C53 HydrophobicContact CB-CB 4.33Å; N50-C53 VanDerWaalsContact O-CB 3.3Å; N50-C53 WeakPolarHBondContact O-CB 3.46Å; N50-C53 PolarHBondContact O-N 2.95Å; N50-L56 WeakPolarHBondContact O-CD1 3.36Å | ||
| 51 | W | 86.6 | Confident | 82.8 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 27% | 0.269 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -11.1 | 178.8 | -55.5 | 111 | 0 | 0 | 0 | 115.6 | I49 L56 A60 F68 K69 F72 | I49-W51 HydrophobicContact CB-CD2 4.43Å; I49-W51 HydrophobicContact CB-CH2 4.18Å; I49-W51 HydrophobicContact CB-CZ2 3.87Å; I49-W51 HydrophobicContact CD1-CH2 3.87Å; I49-W51 HydrophobicContact CD1-CZ2 3.88Å; I49-W51 HydrophobicContact CG2-CD2 3.85Å; I49-W51 HydrophobicContact CG2-CE3 3.74Å; I49-W51 HydrophobicContact CG2-CH2 3.77Å; I49-W51 HydrophobicContact CG2-CZ2 3.86Å; I49-W51 HydrophobicContact CG2-CZ3 3.7Å; I49-W51 PolarHBondContact O-N 3.48Å; W51-L56 HydrophobicContact CE3-CD1 3.93Å; W51-A60 HydrophobicContact CB-CB 4.4Å; W51-A60 HydrophobicContact CD2-CB 4.31Å; W51-A60 HydrophobicContact CE3-CB 3.54Å; W51-A60 HydrophobicContact CZ3-CB 4.24Å; W51-F68 HydrophobicContact CZ3-CD1 4.15Å; W51-F68 AromaticContact CZ3-CE1 3.97Å; W51-F68 HydrophobicContact CZ3-CE1 3.97Å; W51-K69 HydrophobicContact CD2-CD 4.34Å; W51-K69 HydrophobicContact CD2-CG 3.85Å; W51-K69 HydrophobicContact CE3-CG 3.79Å; W51-K69 HydrophobicContact CH2-CB 3.93Å; W51-K69 HydrophobicContact CH2-CG 3.75Å; W51-K69 HydrophobicContact CZ2-CB 4Å; W51-K69 HydrophobicContact CZ2-CG 3.79Å; W51-K69 HydrophobicContact CZ3-CB 4.36Å; W51-K69 HydrophobicContact CZ3-CG 3.74Å; W51-F72 HydrophobicContact CH2-CB 4.15Å; W51-F72 HydrophobicContact CH2-CD1 4.16Å; W51-F72 HydrophobicContact CZ3-CB 4.29Å; W51-F72 HydrophobicContact CZ3-CD1 4.15Å |
| 52 | N | 83.6 | Confident | 83.6 | Confident | 144 Ų | 144 | 63.4 Ų | 63.4 | 77% | 0.77 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.7 | 176.5 | -62.1 | -48.5 | 0 | 0 | 0 | 113 | N50 | N50-N52 PolarHBondContact O-N 3.37Å; N50-N52 PolarHBondContact OD1-N 3.09Å |
| 53 | C | 84.3 | Confident | 84 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.074 | 41% | 0.41 | C | S | . | . | trans | -65 | 124.8 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 110 | L42 N50 C55 L56 | L42-C53 HydrophobicContact CD1-CB 4.41Å; N50-C53 HydrophobicContact CB-CB 4.33Å; N50-C53 VanDerWaalsContact O-CB 3.3Å; N50-C53 WeakPolarHBondContact O-CB 3.46Å; N50-C53 PolarHBondContact O-N 2.95Å; C53-C55 PolarHBondContact O-N 3.02Å; C53-C55 VanDerWaalsContact O-N 3.1Å; C53-L56 WeakPolarHBondContact O-CB 3.31Å; C53-L56 PolarHBondContact O-N 3.36Å; C53-L56 VanDerWaalsContact O-N 3.08Å | ||
| 54 | P | 82.6 | Confident | 84.4 | Confident | 116 Ų | 116 | 61.5 Ų | 61.5 | 75% | 0.753 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -61.7 | -22.6 | -177.4 | 23.7 | -33.4 | 0 | 0 | 0 | 113.1 | L56 G57 | P54-L56 PolarHBondContact O-N 3.24Å; P54-G57 PolarHBondContact O-N 3.09Å |
| 55 | C | 81.3 | Confident | 84.8 | Confident | 115 Ų | 115 | 58.5 Ų | 58.5 | 78% | 0.777 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -63.2 | -18.2 | 175.8 | -53.8 | 0 | 0 | 0 | 0 | 113.9 | C53 G57 | C53-C55 PolarHBondContact O-N 3.02Å; C53-C55 VanDerWaalsContact O-N 3.1Å; C55-G57 PolarHBondContact O-N 2.85Å |
| 56 | L | 80.8 | Confident | 85.4 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -73.8 | -0.2 | 175.8 | -96.5 | 165.7 | 0 | 0 | 0 | 114.6 | L42 N50 W51 C53 P54 G58 M59 F68 | L42-L56 HydrophobicContact CD1-CD1 3.42Å; L42-L56 VanDerWaalsContact CD1-CD1 3.42Å; L42-L56 HydrophobicContact CD1-CD2 4.09Å; L42-L56 HydrophobicContact CD1-CG 3.44Å; L42-L56 VanDerWaalsContact CD1-CG 3.44Å; N50-L56 WeakPolarHBondContact O-CD1 3.36Å; W51-L56 HydrophobicContact CE3-CD1 3.93Å; C53-L56 WeakPolarHBondContact O-CB 3.31Å; C53-L56 PolarHBondContact O-N 3.36Å; C53-L56 VanDerWaalsContact O-N 3.08Å; P54-L56 PolarHBondContact O-N 3.24Å; L56-G58 PolarHBondContact O-N 2.95Å; L56-M59 PolarHBondContact O-N 2.84Å; L56-F68 HydrophobicContact CD2-CE1 3.53Å; L56-F68 HydrophobicContact CD2-CZ 3.64Å |
| 57 | G | 80.1 | Confident | 85.9 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 17.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | P54 C55 M59 | P54-G57 PolarHBondContact O-N 3.09Å; C55-G57 PolarHBondContact O-N 2.85Å; G57-M59 PolarHBondContact O-N 3.27Å; G57-M59 VanDerWaalsContact O-N 3.12Å |
| 58 | G | 82.3 | Confident | 86.4 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 2.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L56 A60 S61 | L56-G58 PolarHBondContact O-N 2.95Å; G58-A60 PolarHBondContact O-N 3.13Å; G58-A60 VanDerWaalsContact O-N 3.13Å; G58-S61 CarbonylContact O-C 3.45Å; G58-S61 WeakPolarHBondContact O-CA 3.22Å; G58-S61 PolarHBondContact O-N 3.11Å |
| 59 | M | 83.7 | Confident | 86.8 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 32% | 0.315 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.4 | -174.8 | -61.2 | -177.7 | 74.6 | 0 | 0 | 113.1 | L56 G57 S61 G65 F68 M98 | L56-M59 PolarHBondContact O-N 2.84Å; G57-M59 PolarHBondContact O-N 3.27Å; G57-M59 VanDerWaalsContact O-N 3.12Å; M59-S61 PolarHBondContact O-N 3.02Å; M59-G65 WeakPolarHBondContact O-CA 3.15Å; M59-F68 HydrophobicContact CB-CD1 4.26Å; M59-F68 HydrophobicContact CB-CD2 3.56Å; M59-F68 HydrophobicContact CB-CE1 4.27Å; M59-F68 HydrophobicContact CB-CE2 3.57Å; M59-F68 HydrophobicContact CB-CG 3.94Å; M59-F68 HydrophobicContact CB-CZ 3.95Å; M59-F68 HydrophobicContact CE-CD2 3.83Å; M59-F68 HydrophobicContact CE-CE2 3.81Å; M59-F68 HydrophobicContact CG-CD2 4.44Å; M59-F68 HydrophobicContact CG-CE2 4.17Å; M59-F68 HydrophobicContact SD-CD2 4.12Å; M59-F68 HydrophobicContact SD-CE2 3.56Å; M59-F68 VanDerWaalsContact SD-CE2 3.56Å; M59-F68 HydrophobicContact SD-CZ 4.32Å; M59-M98 HydrophobicContact CE-CE 3.61Å; M59-M98 HydrophobicContact CE-SD 4.16Å |
| 60 | A | 85.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | W51 G58 F68 K69 | W51-A60 HydrophobicContact CB-CB 4.4Å; W51-A60 HydrophobicContact CD2-CB 4.31Å; W51-A60 HydrophobicContact CE3-CB 3.54Å; W51-A60 HydrophobicContact CZ3-CB 4.24Å; G58-A60 PolarHBondContact O-N 3.13Å; G58-A60 VanDerWaalsContact O-N 3.13Å; A60-F68 HydrophobicContact CB-CD1 3.98Å; A60-F68 HydrophobicContact CB-CE1 4.21Å; A60-K69 HydrophobicContact CB-CG 4.33Å; A60-K69 WeakPolarHBondContact O-CE 3.43Å; A60-K69 PolarHBondContact O-NZ 2.85Å |
| 61 | S | 85.3 | Confident | 87.2 | Confident | 94 Ų | 94 | 55.8 Ų | 55.8 | 66% | 0.657 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -124.1 | 65.5 | -179.3 | -74.9 | 0 | 0 | 0 | 0 | 110.7 | G58 M59 | G58-S61 CarbonylContact O-C 3.45Å; G58-S61 WeakPolarHBondContact O-CA 3.22Å; G58-S61 PolarHBondContact O-N 3.11Å; M59-S61 PolarHBondContact O-N 3.02Å |
| 62 | G | 88 | Confident | 87.3 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -152 | -177.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C64 G65 | G62-C64 PolarHBondContact O-N 3.32Å; G62-C64 VanDerWaalsContact O-N 3.15Å; G62-G65 PolarHBondContact O-N 2.93Å |
| 63 | P | 90.2 | Very high | 87.7 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.3 | -179.7 | 26.3 | -34.8 | 0 | 0 | 0 | 113.2 | Y101 L104 Y105 | P63-Y101 HydrophobicContact CB-CD2 4.27Å; P63-Y101 HydrophobicContact CB-CE1 4.32Å; P63-Y101 HydrophobicContact CB-CE2 3.86Å; P63-Y101 HydrophobicContact CG-CD1 4.41Å; P63-Y101 HydrophobicContact CG-CD2 4.04Å; P63-Y101 HydrophobicContact CG-CE2 4.15Å; P63-Y101 HydrophobicContact CG-CG 4.17Å; P63-L104 HydrophobicContact CG-CD1 4.03Å; P63-Y105 HydrophobicContact CG-CE2 4.1Å |
| 64 | C | 93.1 | Very high | 88 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 7 | 174.5 | -60.1 | 0 | 0 | 0 | 0 | 113.9 | G62 T66 Q67 F68 C97 M98 Y105 | G62-C64 PolarHBondContact O-N 3.32Å; G62-C64 VanDerWaalsContact O-N 3.15Å; C64-T66 VanDerWaalsContact C-N 3.25Å; C64-T66 PolarHBondContact O-N 3.22Å; C64-Q67 PolarHBondContact O-N 2.88Å; C64-Q67 VanDerWaalsContact O-N 3.13Å; C64-F68 PolarHBondContact O-N 3.46Å; C64-C97 WeakPolarHBondContact CA-SG 3.39Å; C64-C97 HydrophobicContact CB-CB 3.74Å; C64-C97 WeakPolarHBondContact CB-SG 3.39Å; C64-C97 WeakPolarHBondContact SG-CB 3.5Å; C64-C97 PolarHBondContact SG-O 2.98Å; C64-C97 VanDerWaalsContact SG-O 3.37Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.16Å; C64-M98 HydrophobicContact CB-CG 4.2Å; C64-M98 PolarHBondContact SG-N 3.39Å; C64-Y105 HydrophobicContact CB-CE2 4.14Å |
| 65 | G | 90.9 | Very high | 88.3 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -26.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M59 G62 K69 | M59-G65 WeakPolarHBondContact O-CA 3.15Å; G62-G65 PolarHBondContact O-N 2.93Å; G65-K69 WeakPolarHBondContact O-CB 3.36Å; G65-K69 WeakPolarHBondContact O-CD 3.33Å; G65-K69 WeakPolarHBondContact O-CG 3.48Å; G65-K69 PolarHBondContact O-N 2.99Å |
| 66 | T | 92.8 | Very high | 88.6 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 55% | 0.546 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.8 | -48.4 | 174 | -49.4 | 0 | 0 | 0 | 0 | 111.3 | C64 F68 K69 E70 | C64-T66 VanDerWaalsContact C-N 3.25Å; C64-T66 PolarHBondContact O-N 3.22Å; T66-F68 VanDerWaalsContact C-N 3.33Å; T66-F68 PolarHBondContact O-N 2.88Å; T66-K69 PolarHBondContact O-N 3Å; T66-E70 WeakPolarHBondContact O-CG 3.36Å; T66-E70 PolarHBondContact O-N 3.06Å |
| 67 | Q | 92.4 | Very high | 88.9 | Confident | 55 Ų | 55 | 51 Ų | 51 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 178.9 | -58.9 | -58.9 | -75 | 0 | 0 | 111.1 | C64 E70 A71 M94 C97 | C64-Q67 PolarHBondContact O-N 2.88Å; C64-Q67 VanDerWaalsContact O-N 3.13Å; Q67-E70 PolarHBondContact NE2-OE2 2.98Å; Q67-E70 PolarHBondContact O-N 3.41Å; Q67-A71 WeakPolarHBondContact O-CB 3.43Å; Q67-A71 PolarHBondContact O-N 3.49Å; Q67-M94 HydrophobicContact CB-CB 3.95Å; Q67-M94 HydrophobicContact CB-CG 4.41Å; Q67-C97 HydrophobicContact CG-CB 4.47Å |
| 68 | F | 92.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 48 Ų | 48 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 171.7 | -178 | -83.1 | 0 | 0 | 0 | 112 | W51 L56 M59 A60 C64 T66 A71 F72 M94 | W51-F68 HydrophobicContact CZ3-CD1 4.15Å; W51-F68 AromaticContact CZ3-CE1 3.97Å; W51-F68 HydrophobicContact CZ3-CE1 3.97Å; L56-F68 HydrophobicContact CD2-CE1 3.53Å; L56-F68 HydrophobicContact CD2-CZ 3.64Å; M59-F68 HydrophobicContact CB-CD1 4.26Å; M59-F68 HydrophobicContact CB-CD2 3.56Å; M59-F68 HydrophobicContact CB-CE1 4.27Å; M59-F68 HydrophobicContact CB-CE2 3.57Å; M59-F68 HydrophobicContact CB-CG 3.94Å; M59-F68 HydrophobicContact CB-CZ 3.95Å; M59-F68 HydrophobicContact CE-CD2 3.83Å; M59-F68 HydrophobicContact CE-CE2 3.81Å; M59-F68 HydrophobicContact CG-CD2 4.44Å; M59-F68 HydrophobicContact CG-CE2 4.17Å; M59-F68 HydrophobicContact SD-CD2 4.12Å; M59-F68 HydrophobicContact SD-CE2 3.56Å; M59-F68 VanDerWaalsContact SD-CE2 3.56Å; M59-F68 HydrophobicContact SD-CZ 4.32Å; A60-F68 HydrophobicContact CB-CD1 3.98Å; A60-F68 HydrophobicContact CB-CE1 4.21Å; C64-F68 PolarHBondContact O-N 3.46Å; T66-F68 VanDerWaalsContact C-N 3.33Å; T66-F68 PolarHBondContact O-N 2.88Å; F68-A71 PolarHBondContact O-N 2.91Å; F68-F72 HydrophobicContact CD1-CB 4.45Å; F68-F72 HydrophobicContact CE1-CB 4.09Å; F68-F72 HydrophobicContact CE1-CG 4.27Å; F68-F72 HydrophobicContact CZ-CB 4.42Å; F68-F72 HydrophobicContact CZ-CD2 4.2Å; F68-F72 HydrophobicContact CZ-CG 4.36Å; F68-F72 WeakPolarHBondContact O-CB 3.49Å; F68-F72 PolarHBondContact O-N 3.27Å; F68-M94 HydrophobicContact CB-CG 4.28Å; F68-M94 HydrophobicContact CB-SD 3.91Å; F68-M94 HydrophobicContact CD2-SD 3.49Å; F68-M94 WeakPolarHBondContact CD2-SD 3.38Å; F68-M94 HydrophobicContact CE2-SD 4.38Å; F68-M94 HydrophobicContact CG-SD 4.1Å |
| 69 | K | 91.8 | Very high | 89.3 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 178 | -78 | 168.3 | 175.9 | 161.1 | 0 | 112.4 | W51 A60 G65 T66 S73 | W51-K69 HydrophobicContact CD2-CD 4.34Å; W51-K69 HydrophobicContact CD2-CG 3.85Å; W51-K69 HydrophobicContact CE3-CG 3.79Å; W51-K69 HydrophobicContact CH2-CB 3.93Å; W51-K69 HydrophobicContact CH2-CG 3.75Å; W51-K69 HydrophobicContact CZ2-CB 4Å; W51-K69 HydrophobicContact CZ2-CG 3.79Å; W51-K69 HydrophobicContact CZ3-CB 4.36Å; W51-K69 HydrophobicContact CZ3-CG 3.74Å; A60-K69 HydrophobicContact CB-CG 4.33Å; A60-K69 WeakPolarHBondContact O-CE 3.43Å; A60-K69 PolarHBondContact O-NZ 2.85Å; G65-K69 WeakPolarHBondContact O-CB 3.36Å; G65-K69 WeakPolarHBondContact O-CD 3.33Å; G65-K69 WeakPolarHBondContact O-CG 3.48Å; G65-K69 PolarHBondContact O-N 2.99Å; T66-K69 PolarHBondContact O-N 3Å; K69-S73 VanDerWaalsContact O-CB 3.23Å; K69-S73 WeakPolarHBondContact O-CB 3.03Å; K69-S73 PolarHBondContact O-N 3.24Å; K69-S73 PolarHBondContact O-OG 3.17Å |
| 70 | E | 91.8 | Very high | 89.3 | Confident | 89 Ų | 89 | 54.8 Ų | 54.8 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.5 | -47.9 | 177.7 | -72.7 | 167.7 | 163.9 | 0 | 0 | 111.1 | T66 Q67 S73 C74 | T66-E70 WeakPolarHBondContact O-CG 3.36Å; T66-E70 PolarHBondContact O-N 3.06Å; Q67-E70 PolarHBondContact NE2-OE2 2.98Å; Q67-E70 PolarHBondContact O-N 3.41Å; E70-S73 PolarHBondContact O-OG 3.13Å; E70-C74 WeakPolarHBondContact O-CB 3.49Å; E70-C74 PolarHBondContact O-N 3.32Å |
| 71 | A | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q67 F68 C74 F75 N90 F91 | Q67-A71 WeakPolarHBondContact O-CB 3.43Å; Q67-A71 PolarHBondContact O-N 3.49Å; F68-A71 PolarHBondContact O-N 2.91Å; A71-C74 PolarHBondContact O-N 3.02Å; A71-F75 WeakPolarHBondContact O-CB 3.3Å; A71-F75 PolarHBondContact O-N 3.36Å; A71-N90 HydrophobicContact CB-CB 3.79Å; A71-F91 HydrophobicContact CB-CD1 4.04Å; A71-F91 HydrophobicContact CB-CD2 4.1Å; A71-F91 HydrophobicContact CB-CE1 4.14Å; A71-F91 HydrophobicContact CB-CE2 4.19Å; A71-F91 HydrophobicContact CB-CG 4.02Å; A71-F91 HydrophobicContact CB-CZ 4.21Å |
| 72 | F | 90.1 | Very high | 88.6 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -74.4 | -35 | -175.8 | -162.8 | -91.9 | 0 | 0 | 0 | 113 | L42 I49 W51 F68 F75 H76 | L42-F72 HydrophobicContact CD2-CE1 3.7Å; L42-F72 HydrophobicContact CD2-CZ 3.49Å; L42-F72 VanDerWaalsContact CD2-CZ 3.49Å; L42-F72 HydrophobicContact CG-CE1 4.26Å; I49-F72 HydrophobicContact CD1-CD1 3.96Å; I49-F72 HydrophobicContact CD1-CE1 4.43Å; I49-F72 HydrophobicContact CG1-CD1 4.44Å; I49-F72 HydrophobicContact CG1-CE1 4.49Å; I49-F72 HydrophobicContact CG2-CD1 4.22Å; I49-F72 HydrophobicContact CG2-CE1 4.28Å; W51-F72 HydrophobicContact CH2-CB 4.15Å; W51-F72 HydrophobicContact CH2-CD1 4.16Å; W51-F72 HydrophobicContact CZ3-CB 4.29Å; W51-F72 HydrophobicContact CZ3-CD1 4.15Å; F68-F72 HydrophobicContact CD1-CB 4.45Å; F68-F72 HydrophobicContact CE1-CB 4.09Å; F68-F72 HydrophobicContact CE1-CG 4.27Å; F68-F72 HydrophobicContact CZ-CB 4.42Å; F68-F72 HydrophobicContact CZ-CD2 4.2Å; F68-F72 HydrophobicContact CZ-CG 4.36Å; F68-F72 WeakPolarHBondContact O-CB 3.49Å; F68-F72 PolarHBondContact O-N 3.27Å; F72-F75 PolarHBondContact O-N 3.48Å; F72-H76 WeakPolarHBondContact O-CB 3.37Å; F72-H76 PolarHBondContact O-N 2.88Å |
| 73 | S | 90.7 | Very high | 88.2 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 171.1 | 58.5 | 0 | 0 | 0 | 0 | 112 | K69 E70 F75 H76 Y77 | K69-S73 VanDerWaalsContact O-CB 3.23Å; K69-S73 WeakPolarHBondContact O-CB 3.03Å; K69-S73 PolarHBondContact O-N 3.24Å; K69-S73 PolarHBondContact O-OG 3.17Å; E70-S73 PolarHBondContact O-OG 3.13Å; S73-F75 PolarHBondContact O-N 3.45Å; S73-H76 PolarHBondContact O-N 3.33Å; S73-Y77 WeakPolarHBondContact O-CD2 3.41Å; S73-Y77 PolarHBondContact O-N 3.5Å |
| 74 | C | 91 | Very high | 87.7 | Confident | 33 Ų | 33 | 64 Ų | 64 | 22% | 0.223 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.5 | -49.7 | 171.9 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | E70 A71 H76 Y77 S78 C87 | E70-C74 WeakPolarHBondContact O-CB 3.49Å; E70-C74 PolarHBondContact O-N 3.32Å; A71-C74 PolarHBondContact O-N 3.02Å; C74-H76 VanDerWaalsContact C-N 3.35Å; C74-H76 PolarHBondContact O-N 3.18Å; C74-Y77 PolarHBondContact O-N 3.18Å; C74-S78 VanDerWaalsContact O-CB 3.22Å; C74-S78 WeakPolarHBondContact O-CB 3.43Å; C74-S78 PolarHBondContact O-N 3.33Å; C74-C87 VanDerWaalsContact CA-SG 3.59Å; C74-C87 HydrophobicContact CB-CB 3.74Å; C74-C87 WeakPolarHBondContact CB-SG 3.49Å; C74-C87 PolarHBondContact O-SG 3.44Å; C74-C87 VanDerWaalsContact O-SG 3.36Å; C74-C87 VanDerWaalsContact SG-CA 3.59Å; C74-C87 WeakPolarHBondContact SG-CB 3.39Å; C74-C87 CovalentContact SG-SG 2.03Å; C74-C87 PolarHBondContact SG-SG 2.72Å |
| 75 | F | 89.7 | Confident | 87.4 | Confident | 80 Ų | 80 | 66.5 Ų | 66.5 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58 | -43 | 177.3 | 177.6 | -94.5 | 0 | 0 | 0 | 113.2 | A71 F72 S73 K83 F91 | A71-F75 WeakPolarHBondContact O-CB 3.3Å; A71-F75 PolarHBondContact O-N 3.36Å; F72-F75 PolarHBondContact O-N 3.48Å; S73-F75 PolarHBondContact O-N 3.45Å; F75-K83 HydrophobicContact CD2-CB 4.03Å; F75-K83 WeakPolarHBondContact CD2-O 3.43Å; F75-K83 HydrophobicContact CE2-CB 3.46Å; F75-K83 VanDerWaalsContact CE2-CB 3.46Å; F75-K83 VanDerWaalsContact CE2-O 3.22Å; F75-K83 WeakPolarHBondContact CE2-O 3.18Å; F75-K83 HydrophobicContact CZ-CB 3.74Å; F75-F91 HydrophobicContact CB-CE2 3.98Å; F75-F91 HydrophobicContact CB-CZ 3.94Å; F75-F91 HydrophobicContact CD2-CE2 4.37Å; F75-F91 HydrophobicContact CD2-CZ 4.34Å; F75-F91 HydrophobicContact CG-CZ 4.31Å |
| 76 | H | 87.1 | Confident | 87.4 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 27% | 0.269 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.2 | -45 | -179.6 | -177.1 | 56.3 | 0 | 0 | 0 | 112.5 | I43 I49 F72 S73 C74 | I43-H76 WeakPolarHBondContact CD1-CE1 3.5Å; I49-H76 HydrophobicContact CD1-CB 4.01Å; I49-H76 HydrophobicContact CG1-CB 4.5Å; F72-H76 WeakPolarHBondContact O-CB 3.37Å; F72-H76 PolarHBondContact O-N 2.88Å; S73-H76 PolarHBondContact O-N 3.33Å; C74-H76 VanDerWaalsContact C-N 3.35Å; C74-H76 PolarHBondContact O-N 3.18Å |
| 77 | Y | 87.6 | Confident | 87.4 | Confident | 121 Ų | 121 | 67.6 Ų | 67.6 | 48% | 0.475 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -84 | -11.2 | -179 | -61.4 | -52.5 | 0 | 0 | 0 | 114.3 | G47 S73 C74 N79 | G47-Y77 WeakPolarHBondContact O-CE1 3.19Å; G47-Y77 PolarHBondContact O-OH 2.97Å; S73-Y77 WeakPolarHBondContact O-CD2 3.41Å; S73-Y77 PolarHBondContact O-N 3.5Å; C74-Y77 PolarHBondContact O-N 3.18Å; Y77-N79 PolarHBondContact O-N 3.13Å; Y77-N79 PolarHBondContact O-ND2 2.93Å |
| 78 | S | 87.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | trans | -59.4 | 133.6 | 174.2 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | C74 E80 K83 G84 E86 | C74-S78 VanDerWaalsContact O-CB 3.22Å; C74-S78 WeakPolarHBondContact O-CB 3.43Å; C74-S78 PolarHBondContact O-N 3.33Å; S78-E80 PolarHBondContact OG-N 3.2Å; S78-K83 WeakPolarHBondContact O-CD 3.47Å; S78-K83 PolarHBondContact O-NZ 3.3Å; S78-G84 PolarHBondContact OG-N 3.26Å; S78-G84 VanDerWaalsContact OG-N 3.13Å; S78-E86 VanDerWaalsContact CA-OE1 3.31Å; S78-E86 WeakPolarHBondContact CA-OE1 3.4Å; S78-E86 WeakPolarHBondContact CB-OE1 3.47Å; S78-E86 PolarHBondContact OG-OE1 3.31Å | ||
| 79 | N | 81.3 | Confident | 87.3 | Confident | 153 Ų | 153 | 74.4 Ų | 74.4 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | trans | -106.4 | 8.9 | 179.1 | -79.8 | -99.8 | 0 | 0 | 0 | 112.7 | Y77 | Y77-N79 PolarHBondContact O-N 3.13Å; Y77-N79 PolarHBondContact O-ND2 2.93Å | ||
| 80 | E | 84.4 | Confident | 87.4 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 46% | 0.458 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -69.9 | 154.4 | 179.1 | -76.9 | -66.7 | 162 | 0 | 0 | 113.4 | S78 V82 S85 | S78-E80 PolarHBondContact OG-N 3.2Å; E80-V82 VanDerWaalsContact C-N 3.27Å; E80-V82 PolarHBondContact O-N 3.12Å; E80-S85 VanDerWaalsContact CB-OG 3.31Å; E80-S85 WeakPolarHBondContact CB-OG 3.34Å; E80-S85 WeakPolarHBondContact CG-OG 3.35Å |
| 81 | E | 74.1 | Confident | 87.3 | Confident | 189 Ų | 189 | 71.9 Ų | 71.9 | 88% | 0.883 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -61.6 | -36.4 | -178.4 | 63.2 | 175.9 | -174 | 0 | 0 | 112.3 | ||
| 82 | V | 81.6 | Confident | 87.4 | Confident | 97 Ų | 97 | 79 Ų | 79 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -102.2 | 105.3 | 164.1 | 179.4 | 0 | 0 | 0 | 0 | 106.5 | E80 G84 S85 | E80-V82 VanDerWaalsContact C-N 3.27Å; E80-V82 PolarHBondContact O-N 3.12Å; V82-G84 PolarHBondContact O-N 3.01Å; V82-S85 WeakPolarHBondContact O-CB 3.43Å; V82-S85 PolarHBondContact O-N 3.1Å; V82-S85 PolarHBondContact O-OG 3.08Å |
| 83 | K | 79.9 | Confident | 87.5 | Confident | 103 Ų | 103 | 78.3 Ų | 78.3 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 122.2 | -178.2 | -76.8 | -73.7 | -177.9 | 173.3 | 0 | 111.5 | F75 S78 | F75-K83 HydrophobicContact CD2-CB 4.03Å; F75-K83 WeakPolarHBondContact CD2-O 3.43Å; F75-K83 HydrophobicContact CE2-CB 3.46Å; F75-K83 VanDerWaalsContact CE2-CB 3.46Å; F75-K83 VanDerWaalsContact CE2-O 3.22Å; F75-K83 WeakPolarHBondContact CE2-O 3.18Å; F75-K83 HydrophobicContact CZ-CB 3.74Å; S78-K83 WeakPolarHBondContact O-CD 3.47Å; S78-K83 PolarHBondContact O-NZ 3.3Å |
| 84 | G | 80.8 | Confident | 87.6 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 20.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S78 V82 E86 C87 I88 | S78-G84 PolarHBondContact OG-N 3.26Å; S78-G84 VanDerWaalsContact OG-N 3.13Å; V82-G84 PolarHBondContact O-N 3.01Å; G84-E86 PolarHBondContact O-N 3.27Å; G84-C87 WeakPolarHBondContact O-CA 3.38Å; G84-C87 WeakPolarHBondContact O-CB 3.47Å; G84-C87 PolarHBondContact O-N 3.22Å; G84-I88 PolarHBondContact O-N 3.38Å |
| 85 | S | 86.7 | Confident | 87.6 | Confident | 55 Ų | 55 | 80.9 Ų | 80.9 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -55.2 | -36.5 | 167.5 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | E80 V82 C87 I88 | E80-S85 VanDerWaalsContact CB-OG 3.31Å; E80-S85 WeakPolarHBondContact CB-OG 3.34Å; E80-S85 WeakPolarHBondContact CG-OG 3.35Å; V82-S85 WeakPolarHBondContact O-CB 3.43Å; V82-S85 PolarHBondContact O-N 3.1Å; V82-S85 PolarHBondContact O-OG 3.08Å; S85-C87 VanDerWaalsContact C-N 3.26Å; S85-C87 PolarHBondContact O-N 2.95Å; S85-I88 WeakPolarHBondContact O-CG1 3.31Å |
| 86 | E | 90.5 | Very high | 87.8 | Confident | 114 Ų | 114 | 81.3 Ų | 81.3 | 53% | 0.533 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -72.7 | -13.5 | 172 | 68.3 | -168.2 | 123.8 | 0 | 0 | 114 | S78 G84 | S78-E86 VanDerWaalsContact CA-OE1 3.31Å; S78-E86 WeakPolarHBondContact CA-OE1 3.4Å; S78-E86 WeakPolarHBondContact CB-OE1 3.47Å; S78-E86 PolarHBondContact OG-OE1 3.31Å; G84-E86 PolarHBondContact O-N 3.27Å |
| 87 | C | 92.9 | Very high | 88 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -103.2 | 1.2 | -171.3 | -55.9 | 0 | 0 | 0 | 0 | 114.1 | C74 G84 S85 D89 N90 F91 | C74-C87 VanDerWaalsContact CA-SG 3.59Å; C74-C87 HydrophobicContact CB-CB 3.74Å; C74-C87 WeakPolarHBondContact CB-SG 3.49Å; C74-C87 PolarHBondContact O-SG 3.44Å; C74-C87 VanDerWaalsContact O-SG 3.36Å; C74-C87 VanDerWaalsContact SG-CA 3.59Å; C74-C87 WeakPolarHBondContact SG-CB 3.39Å; C74-C87 CovalentContact SG-SG 2.03Å; C74-C87 PolarHBondContact SG-SG 2.72Å; G84-C87 WeakPolarHBondContact O-CA 3.38Å; G84-C87 WeakPolarHBondContact O-CB 3.47Å; G84-C87 PolarHBondContact O-N 3.22Å; S85-C87 VanDerWaalsContact C-N 3.26Å; S85-C87 PolarHBondContact O-N 2.95Å; C87-D89 PolarHBondContact O-N 3.26Å; C87-N90 WeakPolarHBondContact O-CB 3.42Å; C87-N90 PolarHBondContact O-N 3.03Å; C87-F91 HydrophobicContact CB-CD2 4.31Å; C87-F91 HydrophobicContact CB-CE2 4.24Å; C87-F91 WeakPolarHBondContact O-CD2 3.45Å; C87-F91 PolarHBondContact O-N 2.88Å |
| 88 | I | 90 | Very high | 88.2 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.4 | -37.4 | -174.1 | -65.9 | -69 | 0 | 0 | 0 | 112.3 | G84 S85 N90 F91 R92 | G84-I88 PolarHBondContact O-N 3.38Å; S85-I88 WeakPolarHBondContact O-CG1 3.31Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.91Å; I88-F91 PolarHBondContact O-N 3.23Å; I88-R92 WeakPolarHBondContact O-CB 3.39Å; I88-R92 PolarHBondContact O-N 2.83Å |
| 89 | D | 93.3 | Very high | 88.3 | Confident | 117 Ų | 117 | 80 Ų | 80 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.1 | -34.8 | 178.1 | -66.9 | -40.6 | 0 | 0 | 0 | 112.8 | C87 R92 A93 | C87-D89 PolarHBondContact O-N 3.26Å; D89-R92 WeakPolarHBondContact O-CB 3.39Å; D89-R92 PolarHBondContact O-N 2.83Å; D89-A93 WeakPolarHBondContact O-CB 3.36Å; D89-A93 PolarHBondContact O-N 3.21Å |
| 90 | N | 92.5 | Very high | 88.9 | Confident | 54 Ų | 54 | 79.6 Ų | 79.6 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 175 | -60 | -54.7 | 0 | 0 | 0 | 111.1 | A71 C87 I88 R92 A93 M94 | A71-N90 HydrophobicContact CB-CB 3.79Å; C87-N90 WeakPolarHBondContact O-CB 3.42Å; C87-N90 PolarHBondContact O-N 3.03Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.91Å; N90-R92 VanDerWaalsContact C-N 3.29Å; N90-R92 PolarHBondContact O-N 2.84Å; N90-A93 PolarHBondContact O-N 2.72Å; N90-M94 WeakPolarHBondContact O-CB 3.22Å; N90-M94 PolarHBondContact O-N 3.11Å |
| 91 | F | 90.6 | Very high | 89.1 | Confident | 53 Ų | 53 | 79.8 Ų | 79.8 | 23% | 0.232 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64 | -35 | 172.9 | -79.3 | -79.6 | 0 | 0 | 0 | 112.4 | A71 F75 C87 I88 M94 Q95 | A71-F91 HydrophobicContact CB-CD1 4.04Å; A71-F91 HydrophobicContact CB-CD2 4.1Å; A71-F91 HydrophobicContact CB-CE1 4.14Å; A71-F91 HydrophobicContact CB-CE2 4.19Å; A71-F91 HydrophobicContact CB-CG 4.02Å; A71-F91 HydrophobicContact CB-CZ 4.21Å; F75-F91 HydrophobicContact CB-CE2 3.98Å; F75-F91 HydrophobicContact CB-CZ 3.94Å; F75-F91 HydrophobicContact CD2-CE2 4.37Å; F75-F91 HydrophobicContact CD2-CZ 4.34Å; F75-F91 HydrophobicContact CG-CZ 4.31Å; C87-F91 HydrophobicContact CB-CD2 4.31Å; C87-F91 HydrophobicContact CB-CE2 4.24Å; C87-F91 WeakPolarHBondContact O-CD2 3.45Å; C87-F91 PolarHBondContact O-N 2.88Å; I88-F91 PolarHBondContact O-N 3.23Å; F91-M94 HydrophobicContact CD1-CE 3.96Å; F91-Q95 WeakPolarHBondContact O-CG 3.46Å; F91-Q95 PolarHBondContact O-N 3.02Å |
| 92 | R | 92.8 | Very high | 89.8 | Confident | 149 Ų | 149 | 74.2 Ų | 74.2 | 56% | 0.562 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.9 | -49.8 | 173.7 | -163.7 | -170.4 | -150.7 | 102.9 | 11.8 | 111.4 | I88 D89 N90 M94 Q95 E96 | I88-R92 WeakPolarHBondContact O-CB 3.39Å; I88-R92 PolarHBondContact O-N 2.83Å; D89-R92 WeakPolarHBondContact O-CB 3.39Å; D89-R92 PolarHBondContact O-N 2.83Å; N90-R92 VanDerWaalsContact C-N 3.29Å; N90-R92 PolarHBondContact O-N 2.84Å; R92-M94 PolarHBondContact O-N 3.2Å; R92-Q95 PolarHBondContact O-N 3.02Å; R92-Q95 VanDerWaalsContact O-N 3.11Å; R92-E96 IonicContact NE-OE1 2.61Å; R92-E96 WeakPolarHBondContact O-CB 3.31Å; R92-E96 WeakPolarHBondContact O-CG 3.23Å; R92-E96 PolarHBondContact O-N 3.12Å |
| 93 | A | 93.3 | Very high | 90.1 | Very high | 30 Ų | 30 | 78.3 Ų | 78.3 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.2 | -34.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D89 N90 C97 | D89-A93 WeakPolarHBondContact O-CB 3.36Å; D89-A93 PolarHBondContact O-N 3.21Å; N90-A93 PolarHBondContact O-N 2.72Å; A93-C97 WeakPolarHBondContact O-CB 3.41Å; A93-C97 PolarHBondContact O-N 3Å |
| 94 | M | 91.6 | Very high | 90.4 | Very high | 17 Ų | 17 | 78.8 Ų | 78.8 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 170.4 | -175.9 | -168.3 | 77.8 | 0 | 0 | 112.2 | Q67 F68 N90 F91 R92 C97 M98 | Q67-M94 HydrophobicContact CB-CB 3.95Å; Q67-M94 HydrophobicContact CB-CG 4.41Å; F68-M94 HydrophobicContact CB-CG 4.28Å; F68-M94 HydrophobicContact CB-SD 3.91Å; F68-M94 HydrophobicContact CD2-SD 3.49Å; F68-M94 WeakPolarHBondContact CD2-SD 3.38Å; F68-M94 HydrophobicContact CE2-SD 4.38Å; F68-M94 HydrophobicContact CG-SD 4.1Å; N90-M94 WeakPolarHBondContact O-CB 3.22Å; N90-M94 PolarHBondContact O-N 3.11Å; F91-M94 HydrophobicContact CD1-CE 3.96Å; R92-M94 PolarHBondContact O-N 3.2Å; M94-C97 WeakPolarHBondContact O-CA 3.29Å; M94-C97 WeakPolarHBondContact O-CB 3.43Å; M94-C97 PolarHBondContact O-N 3.24Å; M94-C97 VanDerWaalsContact O-N 3.09Å; M94-M98 HydrophobicContact CE-SD 4.3Å; M94-M98 HydrophobicContact CG-SD 4.09Å; M94-M98 WeakPolarHBondContact O-CG 3.32Å; M94-M98 PolarHBondContact O-N 2.96Å |
| 95 | Q | 91.4 | Very high | 90.7 | Very high | 105 Ų | 105 | 80.3 Ų | 80.3 | 49% | 0.491 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 177.3 | -72.6 | 172.1 | 40.4 | 0 | 0 | 112.2 | F91 R92 C97 M98 Q99 | F91-Q95 WeakPolarHBondContact O-CG 3.46Å; F91-Q95 PolarHBondContact O-N 3.02Å; R92-Q95 PolarHBondContact O-N 3.02Å; R92-Q95 VanDerWaalsContact O-N 3.11Å; Q95-C97 PolarHBondContact O-N 3.22Å; Q95-M98 PolarHBondContact O-N 3.21Å; Q95-M98 VanDerWaalsContact O-N 3.09Å; Q95-Q99 WeakPolarHBondContact O-CG 3.41Å; Q95-Q99 PolarHBondContact O-N 3.01Å |
| 96 | E | 93.3 | Very high | 90.6 | Very high | 88 Ų | 88 | 82.6 Ų | 82.6 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.1 | -22.3 | 173.6 | -72.5 | 179.4 | -161.4 | 0 | 0 | 113.1 | R92 K100 | R92-E96 IonicContact NE-OE1 2.61Å; R92-E96 WeakPolarHBondContact O-CB 3.31Å; R92-E96 WeakPolarHBondContact O-CG 3.23Å; R92-E96 PolarHBondContact O-N 3.12Å; E96-K100 WeakPolarHBondContact O-CD 3.24Å; E96-K100 WeakPolarHBondContact O-CE 3.1Å; E96-K100 WeakPolarHBondContact O-CG 3.43Å; E96-K100 PolarHBondContact O-NZ 2.84Å |
| 97 | C | 92.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 81.7 Ų | 81.7 | 12% | 0.122 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -77.6 | -48.2 | 169.1 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | C64 Q67 A93 M94 Q95 Q99 K100 Y101 | C64-C97 WeakPolarHBondContact CA-SG 3.39Å; C64-C97 HydrophobicContact CB-CB 3.74Å; C64-C97 WeakPolarHBondContact CB-SG 3.39Å; C64-C97 WeakPolarHBondContact SG-CB 3.5Å; C64-C97 PolarHBondContact SG-O 2.98Å; C64-C97 VanDerWaalsContact SG-O 3.37Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.16Å; Q67-C97 HydrophobicContact CG-CB 4.47Å; A93-C97 WeakPolarHBondContact O-CB 3.41Å; A93-C97 PolarHBondContact O-N 3Å; M94-C97 WeakPolarHBondContact O-CA 3.29Å; M94-C97 WeakPolarHBondContact O-CB 3.43Å; M94-C97 PolarHBondContact O-N 3.24Å; M94-C97 VanDerWaalsContact O-N 3.09Å; Q95-C97 PolarHBondContact O-N 3.22Å; C97-Q99 VanDerWaalsContact C-N 3.31Å; C97-Q99 PolarHBondContact O-N 3.09Å; C97-K100 WeakPolarHBondContact O-CB 3.17Å; C97-K100 PolarHBondContact O-N 3.12Å; C97-Y101 WeakPolarHBondContact O-CD2 3.15Å |
| 98 | M | 90.4 | Very high | 88.4 | Confident | 32 Ų | 32 | 89.8 Ų | 89.8 | 16% | 0.158 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | -177.3 | -66.9 | 170.2 | 78.6 | 0 | 0 | 112 | M59 C64 M94 Q95 K100 Y101 Y105 | M59-M98 HydrophobicContact CE-CE 3.61Å; M59-M98 HydrophobicContact CE-SD 4.16Å; C64-M98 HydrophobicContact CB-CG 4.2Å; C64-M98 PolarHBondContact SG-N 3.39Å; M94-M98 HydrophobicContact CE-SD 4.3Å; M94-M98 HydrophobicContact CG-SD 4.09Å; M94-M98 WeakPolarHBondContact O-CG 3.32Å; M94-M98 PolarHBondContact O-N 2.96Å; Q95-M98 PolarHBondContact O-N 3.21Å; Q95-M98 VanDerWaalsContact O-N 3.09Å; M98-K100 PolarHBondContact O-N 2.61Å; M98-K100 VanDerWaalsContact O-N 3.11Å; M98-Y101 CarbonylContact O-C 3.56Å; M98-Y101 PolarHBondContact O-N 2.81Å; M98-Y105 HydrophobicContact CB-CD2 3.95Å; M98-Y105 HydrophobicContact CB-CG 4.06Å; M98-Y105 HydrophobicContact CE-CD1 3.52Å; M98-Y105 HydrophobicContact CE-CE1 4.1Å; M98-Y105 HydrophobicContact CE-CG 3.79Å; M98-Y105 HydrophobicContact CG-CD1 4.38Å; M98-Y105 HydrophobicContact CG-CD2 3.86Å; M98-Y105 HydrophobicContact CG-CE2 4.15Å; M98-Y105 HydrophobicContact CG-CG 3.97Å |
| 99 | Q | 91.1 | Very high | 86.4 | Confident | 106 Ų | 106 | 91.1 Ų | 91.1 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -21.5 | 173.2 | -74 | 169.4 | 9.5 | 0 | 0 | 114.4 | Q95 C97 Y101 | Q95-Q99 WeakPolarHBondContact O-CG 3.41Å; Q95-Q99 PolarHBondContact O-N 3.01Å; C97-Q99 VanDerWaalsContact C-N 3.31Å; C97-Q99 PolarHBondContact O-N 3.09Å; Q99-Y101 VanDerWaalsContact C-N 3.32Å |
| 100 | K | 92.1 | Very high | 84.7 | Confident | 144 Ų | 144 | 95.6 Ų | 95.6 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -10.6 | 176.2 | -63.9 | 162.4 | -174 | 137.1 | 0 | 112.8 | E96 C97 M98 P102 | E96-K100 WeakPolarHBondContact O-CD 3.24Å; E96-K100 WeakPolarHBondContact O-CE 3.1Å; E96-K100 WeakPolarHBondContact O-CG 3.43Å; E96-K100 PolarHBondContact O-NZ 2.84Å; C97-K100 WeakPolarHBondContact O-CB 3.17Å; C97-K100 PolarHBondContact O-N 3.12Å; M98-K100 PolarHBondContact O-N 2.61Å; M98-K100 VanDerWaalsContact O-N 3.11Å; K100-P102 VanDerWaalsContact C-CD 3.48Å |
| 101 | Y | 90.4 | Very high | 82.6 | Confident | 101 Ų | 101 | 99.2 Ų | 99.2 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | trans | -131.3 | 58.3 | -177.9 | -55.7 | -79 | 0 | 0 | 0 | 111.9 | P63 C97 M98 Q99 E103 L104 Y105 | P63-Y101 HydrophobicContact CB-CD2 4.27Å; P63-Y101 HydrophobicContact CB-CE1 4.32Å; P63-Y101 HydrophobicContact CB-CE2 3.86Å; P63-Y101 HydrophobicContact CG-CD1 4.41Å; P63-Y101 HydrophobicContact CG-CD2 4.04Å; P63-Y101 HydrophobicContact CG-CE2 4.15Å; P63-Y101 HydrophobicContact CG-CG 4.17Å; C97-Y101 WeakPolarHBondContact O-CD2 3.15Å; M98-Y101 CarbonylContact O-C 3.56Å; M98-Y101 PolarHBondContact O-N 2.81Å; Q99-Y101 VanDerWaalsContact C-N 3.32Å; Y101-E103 PolarHBondContact O-N 3.03Å; Y101-L104 PolarHBondContact O-N 3.43Å; Y101-Y105 PolarHBondContact O-N 2.86Å | ||
| 102 | P | 88.6 | Confident | 80.6 | Confident | 73 Ų | 73 | 104.7 Ų | 104.7 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.4 | -176 | 26 | -35.6 | 0 | 0 | 0 | 113.6 | K100 L104 Y105 P106 | K100-P102 VanDerWaalsContact C-CD 3.48Å; P102-L104 PolarHBondContact O-N 3.35Å; P102-Y105 CarbonylContact O-C 3.6Å; P102-P106 WeakPolarHBondContact O-CA 3.41Å |
| 103 | E | 87.2 | Confident | 78.2 | Confident | 183 Ų | 183 | 101.4 Ų | 101.4 | 86% | 0.855 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.6 | 175.1 | -59.6 | -73.8 | 128.9 | 0 | 0 | 113.7 | Y101 | Y101-E103 PolarHBondContact O-N 3.03Š|
| 104 | L | 85.9 | Confident | 76.1 | Confident | 112 Ų | 112 | 104.9 Ų | 104.9 | 59% | 0.586 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -28.1 | -179.5 | -63.5 | 177.9 | 0 | 0 | 0 | 112.4 | P63 Y101 P102 | P63-L104 HydrophobicContact CG-CD1 4.03Å; Y101-L104 PolarHBondContact O-N 3.43Å; P102-L104 PolarHBondContact O-N 3.35Å |
| 105 | Y | 87.3 | Confident | 73.8 | Confident | 35 Ų | 35 | 111.9 Ų | 111.9 | 14% | 0.137 | 59% | 0.589 | C | S | . | * | S | Bend | trans | -126.5 | 80 | 175.7 | -55.4 | -67.3 | 0 | 0 | 0 | 107.5 | P63 C64 M98 Y101 P102 Q107 | P63-Y105 HydrophobicContact CG-CE2 4.1Å; C64-Y105 HydrophobicContact CB-CE2 4.14Å; M98-Y105 HydrophobicContact CB-CD2 3.95Å; M98-Y105 HydrophobicContact CB-CG 4.06Å; M98-Y105 HydrophobicContact CE-CD1 3.52Å; M98-Y105 HydrophobicContact CE-CE1 4.1Å; M98-Y105 HydrophobicContact CE-CG 3.79Å; M98-Y105 HydrophobicContact CG-CD1 4.38Å; M98-Y105 HydrophobicContact CG-CD2 3.86Å; M98-Y105 HydrophobicContact CG-CE2 4.15Å; M98-Y105 HydrophobicContact CG-CG 3.97Å; Y101-Y105 PolarHBondContact O-N 2.86Å; P102-Y105 CarbonylContact O-C 3.6Å; Y105-Q107 PolarHBondContact O-N 3.04Å; Y105-Q107 VanDerWaalsContact O-N 3.13Å |
| 106 | P | 84.1 | Confident | 71.5 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | trans | -54.4 | 125 | 173.9 | 22.6 | -32.3 | 0 | 0 | 0 | 108.2 | P102 E108 | P102-P106 WeakPolarHBondContact O-CA 3.41Å; P106-E108 PolarHBondContact O-N 2.93Å | ||
| 107 | Q | 75.7 | Confident | 69.3 | Low | 95 Ų | 95 | 112.2 Ų | 112.2 | 44% | 0.444 | 62% | 0.624 | S | S | . | * | trans | -65.9 | 126.5 | 165.8 | -57 | -86.7 | -94.7 | 0 | 0 | 105.2 | Y105 D109 | Y105-Q107 PolarHBondContact O-N 3.04Å; Y105-Q107 VanDerWaalsContact O-N 3.13Å; Q107-D109 PolarHBondContact O-N 3.2Å | ||
| 108 | E | 61.6 | Low | 67 | Low | 170 Ų | 170 | 114.9 Ų | 114.9 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | trans | -72.2 | 78.9 | 167.7 | -65.4 | -178.4 | 121.4 | 0 | 0 | 107.3 | P106 E110 | P106-E108 PolarHBondContact O-N 2.93Å; E108-E110 PolarHBondContact O-N 2.66Å | ||
| 109 | D | 48.8 | Very low | 64.6 | Low | 127 Ų | 127 | 118.8 Ų | 118.8 | 68% | 0.679 | 68% | 0.676 | S | S | * | * | trans | -56.6 | 121.4 | 173.8 | -74.6 | -58.2 | 0 | 0 | 0 | 108.3 | Q107 N111 | Q107-D109 PolarHBondContact O-N 3.2Å; D109-N111 PolarHBondContact O-N 3.07Å | ||
| 110 | E | 57.2 | Low | 62.1 | Low | 212 Ų | 212 | 119.3 Ų | 119.3 | 99% | 0.991 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 19 | -170.2 | -65.3 | 173.2 | 66.6 | 0 | 0 | 115.2 | E108 | E108-E110 PolarHBondContact O-N 2.66Š|
| 111 | N | 48.8 | Very low | 59.6 | Low | 130 Ų | 130 | 120.7 Ų | 120.7 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -27.6 | -168.3 | -173.5 | 66.1 | 0 | 0 | 0 | 115.5 | D109 | D109-N111 PolarHBondContact O-N 3.07Š|
| 112 | E | 47.6 | Very low | 56.9 | Low | 167 Ų | 167 | 122 Ų | 122 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -128.6 | 122.9 | -170.3 | -85.6 | 147.1 | 100.3 | 0 | 0 | 112.6 | ||
| 113 | G | 43.6 | Very low | 54.1 | Low | 80 Ų | 80 | 124.8 Ų | 124.8 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | -93.5 | 154.2 | -160.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 114 | A | 49.1 | Very low | 51.9 | Low | 103 Ų | 103 | 121.5 Ų | 121.5 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | trans | 81.5 | 127 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 115 | D | 42.6 | Very low | 49.4 | Very low | 165 Ų | 165 | 121.3 Ų | 121.3 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | trans | 76.7 | 80.2 | 152.1 | -145.6 | -102.8 | 0 | 0 | 0 | 119.4 | ||||
| 116 | A | 44.3 | Very low | 47.2 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -163.4 | 88.4 | 145 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 117 | A | 47.1 | Very low | 45 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | 51.9 | 66.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 118 | A | 43 | Very low | 43.3 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 61% | 0.612 | 78% | 0.779 | S | S | * | * | trans | -110.2 | 137.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 119 | P | 40.8 | Very low | 42.6 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 138.4 | 169.2 | 29.5 | -32.7 | 0 | 0 | 0 | 109 | L121 | P119-L121 PolarHBondContact O-N 2.77Å; P119-L121 VanDerWaalsContact O-N 3.11Å |
| 120 | P | 37.8 | Very low | 42 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 117.1 | -179.2 | 27.3 | -33.3 | 0 | 0 | 0 | 109.7 | V122 | P120-V122 PolarHBondContact O-N 2.92Š|
| 121 | L | 40 | Very low | 41 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 119.1 | 159.8 | -70 | 172.1 | 0 | 0 | 0 | 106.9 | P119 D123 | P119-L121 PolarHBondContact O-N 2.77Å; P119-L121 VanDerWaalsContact O-N 3.11Å; L121-D123 PolarHBondContact O-N 3.02Å |
| 122 | V | 33.6 | Very low | 40.1 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 106.5 | -173.9 | -74.7 | 0 | 0 | 0 | 0 | 110.9 | P120 S124 | P120-V122 PolarHBondContact O-N 2.92Å; V122-S124 PolarHBondContact O-N 3.45Å | ||
| 123 | D | 31.2 | Very low | 39.8 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -60.1 | 101.3 | 170 | 175.7 | -127 | 0 | 0 | 0 | 109.9 | L121 T125 | L121-D123 PolarHBondContact O-N 3.02Å; D123-T125 PolarHBondContact O-N 3.04Å; D123-T125 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 124 | S | 40.7 | Very low | 40 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -79.3 | 64.8 | 169.5 | -71.3 | 0 | 0 | 0 | 0 | 110.4 | V122 A126 | V122-S124 PolarHBondContact O-N 3.45Å; S124-A126 PolarHBondContact O-N 3.37Å; S124-A126 VanDerWaalsContact O-N 3.12Å | ||
| 125 | T | 33.4 | Very low | 39.8 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | trans | -73.8 | 102.7 | 169.7 | -155.2 | 0 | 0 | 0 | 0 | 109.8 | D123 | D123-T125 PolarHBondContact O-N 3.04Å; D123-T125 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 126 | A | 40.2 | Very low | 39.4 | Very low | 78 Ų | 78 | 120.4 Ų | 120.4 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | trans | -81.2 | 123.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | S124 V128 | S124-A126 PolarHBondContact O-N 3.37Å; S124-A126 VanDerWaalsContact O-N 3.12Å; A126-V128 PolarHBondContact O-N 3.16Å; A126-V128 VanDerWaalsContact O-N 3.12Å | ||
| 127 | P | 39.1 | Very low | 39.1 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -73.5 | 108.3 | -178.1 | 28.4 | -33.7 | 0 | 0 | 0 | 111.1 | ||||
| 128 | V | 39.8 | Very low | 38.8 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | -83.9 | 128.5 | 163.8 | -75.3 | 0 | 0 | 0 | 0 | 109.9 | A126 | A126-V128 PolarHBondContact O-N 3.16Å; A126-V128 VanDerWaalsContact O-N 3.12Å | ||
| 129 | P | 45.8 | Very low | 39.6 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -77.8 | 145.7 | -175.2 | 30.7 | -34.8 | 0 | 0 | 0 | 112.7 | ||||
| 130 | T | 36.8 | Very low | 39.2 | Very low | 138 Ų | 138 | 125 Ų | 125 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | -97.9 | 114.9 | -179.2 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 131 | E | 36.1 | Very low | 39.2 | Very low | 196 Ų | 196 | 125 Ų | 125 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -151.5 | 146.2 | 153.3 | -71.3 | -165.6 | 105.8 | 0 | 0 | 105.9 | ||||
| 132 | D | 29 | Very low | 39 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | -145.6 | 160 | -6.4 | 164.5 | -114.6 | 0 | 0 | 0 | 106.9 | ||||
| 133 | S | 41.3 | Very low | 39.1 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -151.3 | 116.6 | 172.3 | -82.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 134 | S | 48.7 | Very low | 39.5 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -148.3 | 152.5 | 161.6 | -111.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 135 | P | 45.5 | Very low | 39.9 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | -144.1 | 156 | 50.2 | 38.9 | -19.9 | 0 | 0 | 0 | 118.8 | |||||
| 136 | A | 32.8 | Very low | 40.2 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | 47.7 | 125.8 | 133.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 137 | S | 38.3 | Very low | 41.3 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -69.2 | 154.9 | 165.8 | -29.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 138 | V | 40.5 | Very low | 42 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | -170.2 | 155.4 | 114.3 | -90.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 139 | P | 61.1 | Low | 42 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -120.7 | 165.1 | -170.9 | 42.2 | -31 | 0 | 0 | 0 | 116.8 | ||||
| 140 | S | 31.3 | Very low | 42.2 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -176.2 | 132.5 | 153.5 | -84.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 141 | S | 37.9 | Very low | 42.1 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 69.8 | 131.1 | 67.7 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 142 | N | 36.8 | Very low | 42.2 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | cis | -166.9 | 172.3 | 11.8 | -165.3 | 12.9 | 0 | 0 | 0 | 112.8 | ||||
| 143 | S | 34.4 | Very low | 42.8 | Very low | 99 Ų | 99 | 120 Ų | 120 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | 89.5 | 116.9 | 147.7 | -57.7 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 144 | T | 40.3 | Very low | 43.4 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -64 | 172 | 157.3 | -23.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 145 | P | 48.9 | Very low | 42.8 | Very low | 121 Ų | 121 | 120 Ų | 120 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | cis | -149.1 | -176.4 | 30.9 | 43.2 | -19.2 | 0 | 0 | 0 | 121 | ||||
| 146 | S | 39.8 | Very low | 42.6 | Very low | 105 Ų | 105 | 119.7 Ų | 119.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -85.8 | -162.8 | 177.9 | -29.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 147 | P | 63.2 | Low | 43 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -125.4 | -144.2 | -10.7 | 39 | -16.6 | 0 | 0 | 0 | 110.8 | ||||
| 148 | P | 54 | Low | 43.1 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -134.4 | -150.1 | -11 | 43.9 | -22.9 | 0 | 0 | 0 | 115.4 | ||||
| 149 | T | 39.5 | Very low | 43.6 | Very low | 127 Ų | 127 | 125 Ų | 125 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -114.3 | 167.3 | -179.6 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 150 | P | 50.4 | Low | 43.6 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | -146.1 | 142 | 87.3 | 37.7 | -18.5 | 0 | 0 | 0 | 115.4 | |||||
| 151 | E | 34.7 | Very low | 44.9 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | 82.5 | 114.6 | 100.3 | -166.3 | -178.6 | 113.2 | 0 | 0 | 117.4 | |||||
| 152 | S | 36.8 | Very low | 45.3 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -177 | 135.9 | 135.7 | -81 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 153 | A | 43.3 | Very low | 46 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -126.2 | -173.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 154 | P | 52.8 | Low | 46.9 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -141.2 | -172.5 | 0.2 | 43.8 | -25 | 0 | 0 | 0 | 116.3 | ||||
| 155 | S | 37.2 | Very low | 47.6 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 115.3 | 146.6 | -64.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 156 | S | 41.4 | Very low | 48 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | 166.7 | 112 | 108.2 | -67.9 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 157 | D | 40.9 | Very low | 48.4 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | 63 | 116.5 | 91.5 | -162.5 | -88.8 | 0 | 0 | 0 | 114.7 | |||||
| 158 | K | 39.8 | Very low | 47.9 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | 160.8 | 119 | 121.1 | -171.6 | 143.8 | 174.1 | -78 | 0 | 113.3 | |||||
| 159 | T | 50.4 | Low | 47.6 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -105.8 | -176.4 | 169.1 | 1.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 160 | P | 62.4 | Low | 48 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | trans | -93.3 | -175.8 | -140.9 | 42.5 | -40.4 | 0 | 0 | 0 | 114.9 | ||||
| 161 | P | 58.2 | Low | 47.9 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | -136.8 | 162.4 | 103.3 | 37.7 | -24.5 | 0 | 0 | 0 | 111.7 | |||||
| 162 | T | 46.4 | Very low | 48.7 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | cis | 69.2 | 101.4 | 47.3 | -48.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 163 | D | 51.9 | Low | 49.4 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 65% | 0.647 | 80% | 0.801 | S | S | * | * | trans | -156.1 | 121.7 | 163.4 | -161.8 | -115.2 | 0 | 0 | 0 | 104.8 | Q165 | D163-Q165 VanDerWaalsContact OD1-CG 3.24Å; D163-Q165 WeakPolarHBondContact OD1-CG 3.36Å; D163-Q165 PolarHBondContact OD1-NE2 2.61Å | ||
| 164 | S | 53.3 | Low | 49.8 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | cis | 71.5 | 66.1 | 27.4 | -65.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 165 | Q | 53.9 | Low | 49.6 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -112.2 | 147.5 | 160.8 | -63.8 | -164.6 | 2.1 | 0 | 0 | 112.4 | D163 | D163-Q165 VanDerWaalsContact OD1-CG 3.24Å; D163-Q165 WeakPolarHBondContact OD1-CG 3.36Å; D163-Q165 PolarHBondContact OD1-NE2 2.61Å | ||
| 166 | A | 57.1 | Low | 50.6 | Low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -129.6 | 173.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 167 | A | 48.5 | Very low | 51.4 | Low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 72.3 | 109.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 168 | S | 53.4 | Low | 52.3 | Low | 201 Ų | 201 | 131.7 Ų | 131.7 | 100% | 1.406 | 82% | 0.815 | S | S | * | * | -143.8 | 0 | 116.8 | -70.5 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 168 of 168 residues in 152.7 ms
(Link to these results)