| 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 | 78.7 | Confident | 90.1 | Very high | 207 Ų | 207 | 126.5 Ų | 126.5 | 100% | 1.02 | 63% | 0.633 | S | S | * | * | 0 | 123.9 | 0 | -70.5 | -169.8 | -87.2 | 0 | 0 | 107.5 | |||||
| 2 | S | 86.7 | Confident | 90.4 | Very high | 59 Ų | 59 | 120.9 Ų | 120.9 | 41% | 0.413 | 61% | 0.606 | S | S | . | * | trans | -55.6 | 147.1 | 171.4 | 42.1 | 0 | 0 | 0 | 0 | 111.5 | F14 D19 | S2-F14 CarbonylContact C-O 3.38Å; S2-F14 WeakPolarHBondContact CA-O 3.36Å; S2-F14 VanDerWaalsContact CB-O 3.29Å; S2-F14 WeakPolarHBondContact CB-O 3.47Å; S2-D19 WeakPolarHBondContact CB-OD2 3.36Å; S2-D19 PolarHBondContact N-OD2 2.63Å; S2-D19 PolarHBondContact OG-OD2 2.92Å | ||
| 3 | Y | 89.3 | Confident | 90.4 | Very high | 137 Ų | 137 | 119.4 Ų | 119.4 | 54% | 0.537 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -142.9 | 154.2 | 178.1 | 72.4 | -88.8 | 0 | 0 | 0 | 111.7 | F14 | Y3-F14 HydrophobicContact CD1-CB 4.02Å; Y3-F14 HydrophobicContact CD2-CD2 4.14Å; Y3-F14 HydrophobicContact CE1-CB 3.68Å; Y3-F14 HydrophobicContact CE1-CD2 4.34Å; Y3-F14 HydrophobicContact CE1-CG 4.07Å; Y3-F14 HydrophobicContact CE2-CB 4.26Å; Y3-F14 AromaticContact CE2-CD2 3.46Å; Y3-F14 HydrophobicContact CE2-CD2 3.46Å; Y3-F14 VanDerWaalsContact CE2-CD2 3.46Å; Y3-F14 HydrophobicContact CE2-CE2 4.06Å; Y3-F14 HydrophobicContact CE2-CG 4.03Å; Y3-F14 HydrophobicContact CG-CB 4.45Å; Y3-F14 AromaticContact CZ-CD2 3.58Å; Y3-F14 AromaticContact CZ-CG 3.66Å; Y3-F14 PolarHBondContact N-O 2.98Å; Y3-F14 PolarHBondContact O-N 3.32Å |
| 4 | C | 90.8 | Very high | 90.5 | Very high | 76 Ų | 76 | 117.1 Ų | 117.1 | 51% | 0.514 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.3 | 179.5 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | I12 | C4-I12 CarbonylContact C-O 3.55Å; C4-I12 WeakPolarHBondContact CA-O 3.39Å |
| 5 | K | 93.8 | Very high | 90.6 | Very high | 103 Ų | 103 | 114.5 Ų | 114.5 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.1 | 170.4 | -170.1 | -174.1 | -177.4 | -167.1 | 0 | 108.9 | E7 I12 F14 | K5-E7 HydrophobicContact CD-CG 4.25Å; K5-E7 VanDerWaalsContact CE-OE1 3.24Å; K5-E7 WeakPolarHBondContact CE-OE1 3.49Å; K5-E7 HydrophobicContact CG-CG 4.43Å; K5-E7 IonicContact NZ-OE1 2.67Å; K5-E7 PolarHBondContact NZ-OE1 3.23Å; K5-I12 PolarHBondContact N-O 3.5Å; K5-I12 PolarHBondContact O-N 3.01Å; K5-F14 HydrophobicContact CB-CE2 4.16Å |
| 6 | Q | 93.6 | Very high | 90.5 | Very high | 141 Ų | 141 | 109.7 Ų | 109.7 | 66% | 0.659 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.1 | 175.3 | -160.6 | 163.4 | 19.4 | 0 | 0 | 109.7 | D10 R11 | Q6-D10 WeakPolarHBondContact CA-O 3.35Å; Q6-R11 HydrophobicContact CG-CG 4.38Å |
| 7 | E | 90.5 | Very high | 90.4 | Very high | 99 Ų | 99 | 111.8 Ų | 111.8 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.4 | 97.1 | 175.5 | -66.1 | -161.7 | 155.4 | 0 | 0 | 108.5 | K5 K9 D10 I12 | K5-E7 HydrophobicContact CD-CG 4.25Å; K5-E7 VanDerWaalsContact CE-OE1 3.24Å; K5-E7 WeakPolarHBondContact CE-OE1 3.49Å; K5-E7 HydrophobicContact CG-CG 4.43Å; K5-E7 IonicContact NZ-OE1 2.67Å; K5-E7 PolarHBondContact NZ-OE1 3.23Å; E7-K9 PolarHBondContact O-N 2.96Å; E7-D10 PolarHBondContact N-O 3.36Å; E7-D10 PolarHBondContact O-N 3.22Å; E7-I12 HydrophobicContact CB-CD1 4.28Å; E7-I12 HydrophobicContact CG-CD1 3.97Å |
| 8 | G | 91.4 | Very high | 90.1 | Very high | 72 Ų | 72 | 112.4 Ų | 112.4 | 74% | 0.742 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.1 | -119.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D10 | G8-D10 VanDerWaalsContact C-N 3.34Š|
| 9 | K | 92.1 | Very high | 89.7 | Confident | 206 Ų | 206 | 110.1 Ų | 110.1 | 90% | 0.896 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -14.5 | 176.5 | -65.3 | -178.6 | -178.3 | -179.8 | 0 | 112.5 | E7 | E7-K9 PolarHBondContact O-N 2.96Š|
| 10 | D | 92.4 | Very high | 89.3 | Confident | 111 Ų | 111 | 112.1 Ų | 112.1 | 59% | 0.594 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 138.3 | -171.5 | -56.7 | -45 | 0 | 0 | 0 | 111 | Q6 E7 G8 | Q6-D10 WeakPolarHBondContact CA-O 3.35Å; E7-D10 PolarHBondContact N-O 3.36Å; E7-D10 PolarHBondContact O-N 3.22Å; G8-D10 VanDerWaalsContact C-N 3.34Å |
| 11 | R | 91.9 | Very high | 89.3 | Confident | 181 Ų | 181 | 112.3 Ų | 112.3 | 68% | 0.683 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 110.4 | 171.6 | -69.7 | 178 | 65.5 | -174.6 | -1.1 | 108.3 | Q6 | Q6-R11 HydrophobicContact CG-CG 4.38Å |
| 12 | I | 93.2 | Very high | 89.6 | Confident | 59 Ų | 59 | 107 Ų | 107 | 30% | 0.303 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.2 | -180 | -52.4 | 173.3 | 0 | 0 | 0 | 108.1 | C4 K5 E7 F14 | C4-I12 CarbonylContact C-O 3.55Å; C4-I12 WeakPolarHBondContact CA-O 3.39Å; K5-I12 PolarHBondContact N-O 3.5Å; K5-I12 PolarHBondContact O-N 3.01Å; E7-I12 HydrophobicContact CB-CD1 4.28Å; E7-I12 HydrophobicContact CG-CD1 3.97Å; I12-F14 HydrophobicContact CB-CE2 4.14Å; I12-F14 HydrophobicContact CG2-CD2 4.1Å; I12-F14 HydrophobicContact CG2-CE1 4.48Å; I12-F14 HydrophobicContact CG2-CE2 3.45Å; I12-F14 VanDerWaalsContact CG2-CE2 3.45Å; I12-F14 HydrophobicContact CG2-CZ 3.68Å |
| 13 | I | 91.2 | Very high | 89.4 | Confident | 101 Ų | 101 | 109.6 Ų | 109.6 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.1 | 179.8 | -50.4 | -178.7 | 0 | 0 | 0 | 108.5 | V15 | I13-V15 HydrophobicContact CG2-CG2 3.91Å |
| 14 | F | 91.9 | Very high | 88.9 | Confident | 88 Ų | 88 | 107.9 Ų | 107.9 | 39% | 0.386 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 102.4 | 173.8 | -68 | -89.6 | 0 | 0 | 0 | 108.7 | S2 Y3 K5 I12 | S2-F14 CarbonylContact C-O 3.38Å; S2-F14 WeakPolarHBondContact CA-O 3.36Å; S2-F14 VanDerWaalsContact CB-O 3.29Å; S2-F14 WeakPolarHBondContact CB-O 3.47Å; Y3-F14 HydrophobicContact CD1-CB 4.02Å; Y3-F14 HydrophobicContact CD2-CD2 4.14Å; Y3-F14 HydrophobicContact CE1-CB 3.68Å; Y3-F14 HydrophobicContact CE1-CD2 4.34Å; Y3-F14 HydrophobicContact CE1-CG 4.07Å; Y3-F14 HydrophobicContact CE2-CB 4.26Å; Y3-F14 AromaticContact CE2-CD2 3.46Å; Y3-F14 HydrophobicContact CE2-CD2 3.46Å; Y3-F14 VanDerWaalsContact CE2-CD2 3.46Å; Y3-F14 HydrophobicContact CE2-CE2 4.06Å; Y3-F14 HydrophobicContact CE2-CG 4.03Å; Y3-F14 HydrophobicContact CG-CB 4.45Å; Y3-F14 AromaticContact CZ-CD2 3.58Å; Y3-F14 AromaticContact CZ-CG 3.66Å; Y3-F14 PolarHBondContact N-O 2.98Å; Y3-F14 PolarHBondContact O-N 3.32Å; K5-F14 HydrophobicContact CB-CE2 4.16Å; I12-F14 HydrophobicContact CB-CE2 4.14Å; I12-F14 HydrophobicContact CG2-CD2 4.1Å; I12-F14 HydrophobicContact CG2-CE1 4.48Å; I12-F14 HydrophobicContact CG2-CE2 3.45Å; I12-F14 VanDerWaalsContact CG2-CE2 3.45Å; I12-F14 HydrophobicContact CG2-CZ 3.68Å |
| 15 | V | 90.8 | Very high | 88.4 | Confident | 77 Ų | 77 | 111.4 Ų | 111.4 | 47% | 0.467 | 57% | 0.573 | S | S | . | * | trans | -88.7 | 137 | -179.2 | -170.6 | 0 | 0 | 0 | 0 | 109.5 | I13 D19 H20 | I13-V15 HydrophobicContact CG2-CG2 3.91Å; V15-D19 HydrophobicContact CG1-CB 3.77Å; V15-H20 HydrophobicContact CG1-CB 3.9Å | ||
| 16 | T | 90.4 | Very high | 87.6 | Confident | 38 Ų | 38 | 109.8 Ų | 109.8 | 23% | 0.233 | 58% | 0.579 | C | S | . | * | trans | -82.7 | 161 | 173.4 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | E18 D19 H20 | T16-E18 VanDerWaalsContact C-N 3.25Å; T16-E18 PolarHBondContact O-N 3.35Å; T16-D19 PolarHBondContact O-N 2.84Å; T16-D19 PolarHBondContact OG1-N 3.11Å; T16-D19 PolarHBondContact OG1-OD2 3.14Å; T16-H20 PolarHBondContact O-N 3.32Å | ||
| 17 | K | 87.8 | Confident | 86.7 | Confident | 145 Ų | 145 | 110.8 Ų | 110.8 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.4 | -42.4 | -178 | -167.1 | -177.1 | -176.8 | -100 | 0 | 110.8 | H20 E21 | K17-H20 PolarHBondContact O-N 2.95Å; K17-E21 WeakPolarHBondContact CE-OE1 3.5Å; K17-E21 IonicContact NZ-OE1 2.65Å; K17-E21 PolarHBondContact NZ-OE1 3.34Å; K17-E21 WeakPolarHBondContact O-CB 3.43Å; K17-E21 VanDerWaalsContact O-CG 3.23Å; K17-E21 WeakPolarHBondContact O-CG 3.39Å; K17-E21 PolarHBondContact O-N 3.04Å |
| 18 | E | 85.8 | Confident | 85.6 | Confident | 124 Ų | 124 | 114 Ų | 114 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.1 | -40.5 | 179.7 | -60.9 | 75.1 | -165.3 | 0 | 0 | 111.9 | T16 H20 E21 T22 | T16-E18 VanDerWaalsContact C-N 3.25Å; T16-E18 PolarHBondContact O-N 3.35Å; E18-H20 VanDerWaalsContact C-N 3.35Å; E18-E21 PolarHBondContact O-N 3.1Å; E18-T22 PolarHBondContact O-N 3.36Å; E18-T22 PolarHBondContact O-OG1 2.91Å |
| 19 | D | 81.9 | Confident | 84.6 | Confident | 67 Ų | 67 | 115.8 Ų | 115.8 | 36% | 0.358 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.8 | -33.2 | 177.2 | -66.9 | -28.6 | 0 | 0 | 0 | 112 | S2 V15 T16 | S2-D19 WeakPolarHBondContact CB-OD2 3.36Å; S2-D19 PolarHBondContact N-OD2 2.63Å; S2-D19 PolarHBondContact OG-OD2 2.92Å; V15-D19 HydrophobicContact CG1-CB 3.77Å; T16-D19 PolarHBondContact O-N 2.84Å; T16-D19 PolarHBondContact OG1-N 3.11Å; T16-D19 PolarHBondContact OG1-OD2 3.14Å |
| 20 | H | 82.4 | Confident | 83.2 | Confident | 150 Ų | 150 | 109.8 Ų | 109.8 | 69% | 0.694 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -77.7 | -27.2 | 176.7 | -175.3 | -81.6 | 0 | 0 | 0 | 112.9 | V15 T16 K17 E18 T22 | V15-H20 HydrophobicContact CG1-CB 3.9Å; T16-H20 PolarHBondContact O-N 3.32Å; K17-H20 PolarHBondContact O-N 2.95Å; E18-H20 VanDerWaalsContact C-N 3.35Å; H20-T22 PolarHBondContact O-N 2.94Å |
| 21 | E | 87.8 | Confident | 81.8 | Confident | 118 Ų | 118 | 110.7 Ų | 110.7 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.7 | -19.3 | 176.2 | -78.4 | 172.8 | 177.2 | 0 | 0 | 112.5 | K17 E18 | K17-E21 WeakPolarHBondContact CE-OE1 3.5Å; K17-E21 IonicContact NZ-OE1 2.65Å; K17-E21 PolarHBondContact NZ-OE1 3.34Å; K17-E21 WeakPolarHBondContact O-CB 3.43Å; K17-E21 VanDerWaalsContact O-CG 3.23Å; K17-E21 WeakPolarHBondContact O-CG 3.39Å; K17-E21 PolarHBondContact O-N 3.04Å; E18-E21 PolarHBondContact O-N 3.1Å |
| 22 | T | 85.5 | Confident | 80.6 | Confident | 94 Ų | 94 | 104.9 Ų | 104.9 | 58% | 0.577 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -82.5 | 124.9 | 178 | -40.1 | 0 | 0 | 0 | 0 | 109.2 | E18 H20 S24 | E18-T22 PolarHBondContact O-N 3.36Å; E18-T22 PolarHBondContact O-OG1 2.91Å; H20-T22 PolarHBondContact O-N 2.94Å; T22-S24 PolarHBondContact O-N 3.35Å |
| 23 | P | 82.6 | Confident | 79.4 | Confident | 114 Ų | 114 | 108.1 Ų | 108.1 | 74% | 0.74 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 141.5 | 176.5 | 23.7 | -32 | 0 | 0 | 0 | 110.3 | N25 | P23-N25 PolarHBondContact O-N 3.36Š|
| 24 | S | 79.7 | Confident | 78.4 | Confident | 102 Ų | 102 | 110.2 Ų | 110.2 | 71% | 0.713 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 134.4 | 179.9 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | T22 A26 | T22-S24 PolarHBondContact O-N 3.35Å; S24-A26 PolarHBondContact O-N 3.36Å; S24-A26 VanDerWaalsContact OG-CB 3.3Å; S24-A26 WeakPolarHBondContact OG-CB 3.49Å; S24-A26 PolarHBondContact OG-N 2.9Å |
| 25 | N | 79.5 | Confident | 77.2 | Confident | 150 Ų | 150 | 109 Ų | 109 | 80% | 0.802 | 61% | 0.605 | S | S | * | * | trans | -90.2 | 21.8 | 169.8 | -161.3 | -8.2 | 0 | 0 | 0 | 111.5 | P23 E27 | P23-N25 PolarHBondContact O-N 3.36Å; N25-E27 PolarHBondContact O-N 2.83Å | ||
| 26 | A | 77.8 | Confident | 75.9 | Confident | 68 Ų | 68 | 109 Ų | 109 | 56% | 0.562 | 61% | 0.607 | S | S | * | * | trans | -74.3 | 111.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | S24 L28 | S24-A26 PolarHBondContact O-N 3.36Å; S24-A26 VanDerWaalsContact OG-CB 3.3Å; S24-A26 WeakPolarHBondContact OG-CB 3.49Å; S24-A26 PolarHBondContact OG-N 2.9Å; A26-L28 PolarHBondContact O-N 3.19Å | ||
| 27 | E | 73.4 | Confident | 74.4 | Confident | 162 Ų | 162 | 116.1 Ų | 116.1 | 76% | 0.757 | 63% | 0.631 | S | S | * | * | trans | -75 | 115.7 | 167 | -69.4 | -177.7 | 159.2 | 0 | 0 | 108.1 | N25 I29 | N25-E27 PolarHBondContact O-N 2.83Å; E27-I29 PolarHBondContact O-N 3.1Å | ||
| 28 | L | 68 | Low | 73 | Confident | 167 Ų | 167 | 113.8 Ų | 113.8 | 87% | 0.874 | 62% | 0.622 | S | S | * | * | trans | -77.7 | 103.3 | 167.6 | -61.8 | -178.2 | 0 | 0 | 0 | 107 | A26 A30 | A26-L28 PolarHBondContact O-N 3.19Å; L28-A30 PolarHBondContact O-N 3.45Å | ||
| 29 | I | 70.8 | Confident | 71.5 | Confident | 110 Ų | 110 | 114.6 Ų | 114.6 | 56% | 0.564 | 63% | 0.626 | S | S | * | * | trans | -75.4 | 111.3 | 172.3 | -60.7 | 133.3 | 0 | 0 | 0 | 106.1 | E27 D31 D32 | E27-I29 PolarHBondContact O-N 3.1Å; I29-D31 VanDerWaalsContact C-N 3.27Å; I29-D32 HydrophobicContact CG2-CB 4.11Å | ||
| 30 | A | 62.2 | Low | 70.7 | Confident | 80 Ų | 80 | 117 Ų | 117 | 66% | 0.661 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -78 | -13 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L28 | L28-A30 PolarHBondContact O-N 3.45Š|
| 31 | D | 62.8 | Low | 70.3 | Confident | 130 Ų | 130 | 111.2 Ų | 111.2 | 70% | 0.695 | 62% | 0.616 | S | S | * | * | trans | -131.9 | 64.3 | -178.2 | -60.3 | -96.5 | 0 | 0 | 0 | 108.5 | I29 P33 | I29-D31 VanDerWaalsContact C-N 3.27Å; D31-P33 WeakPolarHBondContact O-CD 3.46Å | ||
| 32 | D | 68.1 | Low | 70.2 | Confident | 59 Ų | 59 | 108.6 Ų | 108.6 | 32% | 0.316 | 61% | 0.605 | S | S | . | * | trans | -88.2 | 110.1 | 173.2 | -174 | -31.9 | 0 | 0 | 0 | 107.5 | I29 D34 D35 | I29-D32 HydrophobicContact CG2-CB 4.11Å; D32-D34 PolarHBondContact O-N 3.07Å; D32-D34 PolarHBondContact OD1-N 2.92Å; D32-D35 HydrophobicContact CB-CB 4.07Å; D32-D35 WeakPolarHBondContact O-CB 3.34Å; D32-D35 PolarHBondContact O-N 3.25Å | ||
| 33 | P | 67.4 | Low | 70.2 | Confident | 126 Ų | 126 | 107 Ų | 107 | 82% | 0.818 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -11.3 | -175.5 | 28.7 | -36.3 | 0 | 0 | 0 | 113.6 | D31 | D31-P33 WeakPolarHBondContact O-CD 3.46Š|
| 34 | D | 70.3 | Confident | 70.4 | Confident | 145 Ų | 145 | 104.6 Ų | 104.6 | 78% | 0.775 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 6.2 | 174.2 | -75 | -65.4 | 0 | 0 | 0 | 112.5 | D32 P36 | D32-D34 PolarHBondContact O-N 3.07Å; D32-D34 PolarHBondContact OD1-N 2.92Å; D34-P36 WeakPolarHBondContact O-CD 3.47Å |
| 35 | D | 66 | Low | 70.5 | Confident | 64 Ų | 64 | 105 Ų | 105 | 34% | 0.342 | 57% | 0.574 | S | S | . | * | trans | -73.2 | 107.7 | 176.4 | -170.4 | -21.1 | 0 | 0 | 0 | 110.8 | D32 Y37 E38 | D32-D35 HydrophobicContact CB-CB 4.07Å; D32-D35 WeakPolarHBondContact O-CB 3.34Å; D32-D35 PolarHBondContact O-N 3.25Å; D35-Y37 PolarHBondContact O-N 3.18Å; D35-Y37 VanDerWaalsContact O-N 3.1Å; D35-Y37 WeakPolarHBondContact OD1-CA 3.43Å; D35-Y37 VanDerWaalsContact OD1-CB 3.26Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.01Å; D35-Y37 VanDerWaalsContact OD1-CD2 3.3Å; D35-Y37 WeakPolarHBondContact OD1-CD2 3.42Å; D35-Y37 PolarHBondContact OD1-N 3.31Å; D35-E38 HydrophobicContact CB-CB 4.22Å; D35-E38 PolarHBondContact O-N 3.24Å | ||
| 36 | P | 63.9 | Low | 70.8 | Confident | 77 Ų | 77 | 102.6 Ų | 102.6 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.7 | -1.8 | -178.7 | 34.5 | -36.9 | 0 | 0 | 0 | 112.9 | D34 Q40 | D34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-Q40 PolarHBondContact O-NE2 3.27Å; P36-Q40 PolarHBondContact O-OE1 3.05Å; P36-Q40 VanDerWaalsContact O-OE1 3.08Å |
| 37 | Y | 58 | Low | 71.1 | Confident | 186 Ų | 186 | 100.8 Ų | 100.8 | 73% | 0.729 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -21.6 | 176.7 | -60.1 | -81.4 | 0 | 0 | 0 | 112.7 | D35 E39 Q40 | D35-Y37 PolarHBondContact O-N 3.18Å; D35-Y37 VanDerWaalsContact O-N 3.1Å; D35-Y37 WeakPolarHBondContact OD1-CA 3.43Å; D35-Y37 VanDerWaalsContact OD1-CB 3.26Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.01Å; D35-Y37 VanDerWaalsContact OD1-CD2 3.3Å; D35-Y37 WeakPolarHBondContact OD1-CD2 3.42Å; D35-Y37 PolarHBondContact OD1-N 3.31Å; Y37-E39 VanDerWaalsContact C-N 3.28Å; Y37-E39 PolarHBondContact O-N 3.31Å; Y37-Q40 PolarHBondContact O-N 3.23Å |
| 38 | E | 59 | Low | 71.8 | Confident | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -66.5 | -34 | 177.1 | -140.5 | -176 | 147.1 | 0 | 0 | 111.2 | D35 Q40 | D35-E38 HydrophobicContact CB-CB 4.22Å; D35-E38 PolarHBondContact O-N 3.24Å; E38-Q40 VanDerWaalsContact C-N 3.3Å; E38-Q40 PolarHBondContact O-N 3.45Å |
| 39 | E | 55.7 | Low | 72.9 | Confident | 141 Ų | 141 | 91 Ų | 91 | 66% | 0.659 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -73.4 | -17.6 | 179 | -164.2 | 168.7 | -156.6 | 0 | 0 | 113.3 | Y37 G41 | Y37-E39 VanDerWaalsContact C-N 3.28Å; Y37-E39 PolarHBondContact O-N 3.31Å; E39-G41 VanDerWaalsContact C-N 3.25Å; E39-G41 PolarHBondContact O-N 2.99Å |
| 40 | Q | 64.8 | Low | 73.7 | Confident | 118 Ų | 118 | 87.8 Ų | 87.8 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -92 | 35.5 | -179.9 | -81.5 | 82.6 | -67.5 | 0 | 0 | 112.8 | P36 Y37 E38 | P36-Q40 PolarHBondContact O-NE2 3.27Å; P36-Q40 PolarHBondContact O-OE1 3.05Å; P36-Q40 VanDerWaalsContact O-OE1 3.08Å; Y37-Q40 PolarHBondContact O-N 3.23Å; E38-Q40 VanDerWaalsContact C-N 3.3Å; E38-Q40 PolarHBondContact O-N 3.45Å |
| 41 | G | 74.3 | Confident | 75 | Confident | 29 Ų | 29 | 87.1 Ų | 87.1 | 30% | 0.299 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -66.9 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | E39 I43 | E39-G41 VanDerWaalsContact C-N 3.25Å; E39-G41 PolarHBondContact O-N 2.99Å; G41-I43 PolarHBondContact O-N 3.46Å |
| 42 | L | 84.3 | Confident | 76.1 | Confident | 62 Ų | 62 | 87.5 Ų | 87.5 | 33% | 0.325 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -58.6 | -29.9 | 170.1 | -94.7 | 155.9 | 0 | 0 | 0 | 113 | N50 L56 | L42-N50 PolarHBondContact O-N 2.99Å; L42-L56 HydrophobicContact CD2-CD1 3.73Å; L42-L56 HydrophobicContact CD2-CD2 3.35Å; L42-L56 HydrophobicContact CD2-CG 3.27Å |
| 43 | I | 86.8 | Confident | 76.9 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 32% | 0.318 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -111.7 | 123.1 | -176.8 | -52.8 | -54 | 0 | 0 | 0 | 107.7 | G41 I49 H76 | G41-I43 PolarHBondContact O-N 3.46Å; I43-I49 HydrophobicContact CD1-CG1 3.86Å; I43-H76 WeakPolarHBondContact CD1-CE1 3.33Å |
| 44 | L | 85.6 | Confident | 77.7 | Confident | 62 Ų | 62 | 84.8 Ų | 84.8 | 33% | 0.325 | 45% | 0.451 | S | S | . | . | trans | -71.6 | 158.4 | 176.6 | -66.8 | 174.9 | 0 | 0 | 0 | 110.2 | N46 G47 E48 N50 | L44-N46 WeakPolarHBondContact CB-OD1 3.36Å; L44-N46 PolarHBondContact O-N 3.44Å; L44-G47 PolarHBondContact O-N 3.35Å; L44-E48 WeakPolarHBondContact CB-O 3.49Å; L44-E48 HydrophobicContact CD1-CB 4.33Å; L44-E48 PolarHBondContact N-O 3.5Å; L44-N50 HydrophobicContact CD2-CB 4.02Å; L44-N50 HydrophobicContact CG-CB 4.02Å | ||
| 45 | P | 82.8 | Confident | 78.4 | Confident | 112 Ų | 112 | 82.8 Ų | 82.8 | 73% | 0.727 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.4 | 176.5 | -25.6 | 33.8 | 0 | 0 | 0 | 114.4 | G47 | P45-G47 VanDerWaalsContact C-N 3.32Š|
| 46 | N | 85.2 | Confident | 79.2 | Confident | 99 Ų | 99 | 80.5 Ų | 80.5 | 53% | 0.529 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -3.1 | 176.1 | 69.5 | -6.7 | 0 | 0 | 0 | 113.9 | L44 E48 | L44-N46 WeakPolarHBondContact CB-OD1 3.36Å; L44-N46 PolarHBondContact O-N 3.44Å; N46-E48 VanDerWaalsContact ND2-CD 3.28Å; N46-E48 PolarHBondContact ND2-OE2 3.08Å; N46-E48 VanDerWaalsContact OD1-CB 3.3Å; N46-E48 WeakPolarHBondContact OD1-CB 3.49Å; N46-E48 PolarHBondContact OD1-N 2.04Å |
| 47 | G | 84.4 | Confident | 80 | Confident | 30 Ų | 30 | 79.9 Ų | 79.9 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | S | Bend | trans | 82.8 | 9.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L44 P45 Y77 | L44-G47 PolarHBondContact O-N 3.35Å; P45-G47 VanDerWaalsContact C-N 3.32Å; G47-Y77 WeakPolarHBondContact O-CE1 3.4Å; G47-Y77 PolarHBondContact O-OH 3.21Å |
| 48 | E | 88 | Confident | 81.2 | Confident | 111 Ų | 111 | 73.1 Ų | 73.1 | 52% | 0.519 | 43% | 0.429 | S | S | . | . | trans | -90.7 | 151.5 | 173.2 | -62.5 | -179.3 | 151.6 | 0 | 0 | 111.4 | L44 N46 | L44-E48 WeakPolarHBondContact CB-O 3.49Å; L44-E48 HydrophobicContact CD1-CB 4.33Å; L44-E48 PolarHBondContact N-O 3.5Å; N46-E48 VanDerWaalsContact ND2-CD 3.28Å; N46-E48 PolarHBondContact ND2-OE2 3.08Å; N46-E48 VanDerWaalsContact OD1-CB 3.3Å; N46-E48 WeakPolarHBondContact OD1-CB 3.49Å; N46-E48 PolarHBondContact OD1-N 2.04Å | ||
| 49 | I | 90 | Very high | 82.5 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 6% | 0.056 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 125.5 | 178.3 | -63.2 | 151.9 | 0 | 0 | 0 | 109.9 | I43 W51 L56 F72 H76 | I43-I49 HydrophobicContact CD1-CG1 3.86Å; I49-W51 HydrophobicContact CB-CH2 4.3Å; I49-W51 HydrophobicContact CB-CZ2 3.93Å; I49-W51 HydrophobicContact CD1-CH2 3.98Å; I49-W51 HydrophobicContact CD1-CZ2 3.91Å; I49-W51 HydrophobicContact CG2-CD2 3.9Å; I49-W51 HydrophobicContact CG2-CE3 3.86Å; I49-W51 HydrophobicContact CG2-CH2 3.84Å; I49-W51 HydrophobicContact CG2-CZ2 3.87Å; I49-W51 HydrophobicContact CG2-CZ3 3.84Å; I49-W51 PolarHBondContact O-N 3.4Å; I49-W51 VanDerWaalsContact O-N 3.12Å; I49-L56 HydrophobicContact CG2-CD1 4.48Å; I49-F72 HydrophobicContact CD1-CD1 3.83Å; I49-F72 HydrophobicContact CD1-CE1 4.17Å; I49-F72 HydrophobicContact CG1-CD1 4.36Å; I49-F72 HydrophobicContact CG1-CE1 4.23Å; I49-F72 HydrophobicContact CG2-CD1 4.06Å; I49-F72 HydrophobicContact CG2-CE1 3.87Å; I49-H76 HydrophobicContact CD1-CB 4.04Å |
| 50 | N | 88.8 | Confident | 84 | Confident | 43 Ų | 43 | 65 Ų | 65 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | trans | -78.9 | 89.6 | 173.6 | -176.9 | 6.7 | 0 | 0 | 0 | 111.1 | L42 L44 N52 C53 L56 | L42-N50 PolarHBondContact O-N 2.99Å; L44-N50 HydrophobicContact CD2-CB 4.02Å; L44-N50 HydrophobicContact CG-CB 4.02Å; N50-N52 PolarHBondContact O-N 2.92Å; N50-N52 PolarHBondContact OD1-N 2.89Å; N50-C53 HydrophobicContact CB-CB 4.39Å; N50-C53 VanDerWaalsContact O-CB 3.31Å; N50-C53 WeakPolarHBondContact O-CB 3.39Å; N50-C53 PolarHBondContact O-N 3.4Å; N50-C53 VanDerWaalsContact O-N 3.07Å; N50-L56 VanDerWaalsContact O-CD1 3.27Å; N50-L56 WeakPolarHBondContact O-CD1 3.43Å | ||
| 51 | W | 89 | Confident | 85 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 25% | 0.25 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -11.8 | 179.2 | -58.1 | 109 | 0 | 0 | 0 | 115.2 | I49 L56 A60 F68 K69 F72 | I49-W51 HydrophobicContact CB-CH2 4.3Å; I49-W51 HydrophobicContact CB-CZ2 3.93Å; I49-W51 HydrophobicContact CD1-CH2 3.98Å; I49-W51 HydrophobicContact CD1-CZ2 3.91Å; I49-W51 HydrophobicContact CG2-CD2 3.9Å; I49-W51 HydrophobicContact CG2-CE3 3.86Å; I49-W51 HydrophobicContact CG2-CH2 3.84Å; I49-W51 HydrophobicContact CG2-CZ2 3.87Å; I49-W51 HydrophobicContact CG2-CZ3 3.84Å; I49-W51 PolarHBondContact O-N 3.4Å; I49-W51 VanDerWaalsContact O-N 3.12Å; W51-L56 HydrophobicContact CE3-CD1 4.01Å; W51-A60 HydrophobicContact CB-CB 4.37Å; W51-A60 HydrophobicContact CD2-CB 4.27Å; W51-A60 HydrophobicContact CE3-CB 3.49Å; W51-A60 VanDerWaalsContact CE3-CB 3.49Å; W51-A60 HydrophobicContact CZ3-CB 4.19Å; W51-F68 HydrophobicContact CZ3-CD1 4.11Å; W51-F68 AromaticContact CZ3-CE1 3.91Å; W51-F68 HydrophobicContact CZ3-CE1 3.91Å; W51-K69 HydrophobicContact CD2-CD 4.21Å; W51-K69 HydrophobicContact CD2-CG 3.8Å; W51-K69 HydrophobicContact CE3-CG 3.73Å; W51-K69 VanDerWaalsContact CH2-CA 3.43Å; W51-K69 HydrophobicContact CH2-CB 3.81Å; W51-K69 HydrophobicContact CH2-CG 3.71Å; W51-K69 HydrophobicContact CZ2-CB 3.87Å; W51-K69 HydrophobicContact CZ2-CG 3.78Å; W51-K69 HydrophobicContact CZ3-CB 4.24Å; W51-K69 HydrophobicContact CZ3-CG 3.68Å; W51-F72 HydrophobicContact CH2-CB 4.12Å; W51-F72 AromaticContact CH2-CD1 3.87Å; W51-F72 HydrophobicContact CH2-CD1 3.87Å; W51-F72 HydrophobicContact CH2-CG 4.45Å; W51-F72 HydrophobicContact CZ3-CB 4.32Å; W51-F72 AromaticContact CZ3-CD1 3.94Å; W51-F72 HydrophobicContact CZ3-CD1 3.94Å; W51-F72 HydrophobicContact CZ3-CG 4.45Å |
| 52 | N | 85.9 | Confident | 85.7 | Confident | 139 Ų | 139 | 64 Ų | 64 | 74% | 0.743 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -0.8 | 178.5 | -65.5 | -8.8 | 0 | 0 | 0 | 112.5 | N50 P54 | N50-N52 PolarHBondContact O-N 2.92Å; N50-N52 PolarHBondContact OD1-N 2.89Å; N52-P54 WeakPolarHBondContact O-CD 3.28Å |
| 53 | C | 85.9 | Confident | 86.1 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 6% | 0.061 | 40% | 0.404 | C | S | . | . | trans | -64.3 | 122.5 | 177.6 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | N50 C55 L56 | N50-C53 HydrophobicContact CB-CB 4.39Å; N50-C53 VanDerWaalsContact O-CB 3.31Å; N50-C53 WeakPolarHBondContact O-CB 3.39Å; N50-C53 PolarHBondContact O-N 3.4Å; N50-C53 VanDerWaalsContact O-N 3.07Å; C53-C55 PolarHBondContact O-N 2.94Å; C53-L56 PolarHBondContact O-N 2.02Å | ||
| 54 | P | 84.3 | Confident | 86.5 | Confident | 119 Ų | 119 | 61.2 Ų | 61.2 | 77% | 0.773 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -59.3 | -22.2 | -178.7 | 22.4 | -32.3 | 0 | 0 | 0 | 112.8 | N52 L56 G57 | N52-P54 WeakPolarHBondContact O-CD 3.28Å; P54-L56 PolarHBondContact O-N 3.36Å; P54-G57 PolarHBondContact O-N 3.48Å |
| 55 | C | 83.4 | Confident | 86.8 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 69% | 0.689 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -63.3 | -22.9 | 175.4 | -54.8 | 0 | 0 | 0 | 0 | 113.9 | C53 G57 | C53-C55 PolarHBondContact O-N 2.94Å; C55-G57 PolarHBondContact O-N 3.41Å |
| 56 | L | 83.4 | Confident | 87.4 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -72.7 | -0.7 | 176.4 | -78.4 | 166.9 | 0 | 0 | 0 | 113.7 | L42 I49 N50 W51 C53 P54 G58 M59 F68 F72 | L42-L56 HydrophobicContact CD2-CD1 3.73Å; L42-L56 HydrophobicContact CD2-CD2 3.35Å; L42-L56 HydrophobicContact CD2-CG 3.27Å; I49-L56 HydrophobicContact CG2-CD1 4.48Å; N50-L56 VanDerWaalsContact O-CD1 3.27Å; N50-L56 WeakPolarHBondContact O-CD1 3.43Å; W51-L56 HydrophobicContact CE3-CD1 4.01Å; C53-L56 PolarHBondContact O-N 2.02Å; P54-L56 PolarHBondContact O-N 3.36Å; L56-G58 PolarHBondContact O-N 3.49Å; L56-M59 PolarHBondContact O-N 2.61Å; L56-F68 HydrophobicContact CD2-CE1 4.14Å; L56-F68 HydrophobicContact CD2-CZ 4.12Å; L56-F72 HydrophobicContact CD2-CE1 4.33Å; L56-F72 HydrophobicContact CD2-CZ 4.28Å |
| 57 | G | 81.4 | Confident | 87.8 | Confident | 65 Ų | 65 | 54 Ų | 54 | 67% | 0.67 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 22.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P54 C55 M59 | P54-G57 PolarHBondContact O-N 3.48Å; C55-G57 PolarHBondContact O-N 3.41Å; G57-M59 PolarHBondContact O-N 3.45Å |
| 58 | G | 82.9 | Confident | 88.3 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 5.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L56 A60 S61 | L56-G58 PolarHBondContact O-N 3.49Å; G58-A60 PolarHBondContact O-N 3.14Å; G58-S61 CarbonylContact O-C 3.58Å; G58-S61 WeakPolarHBondContact O-CA 3.04Å; G58-S61 PolarHBondContact O-N 3.28Å |
| 59 | M | 85.2 | Confident | 88.6 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 32% | 0.32 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.8 | -177.8 | -64.2 | -177.2 | 72.3 | 0 | 0 | 112.6 | L56 G57 S61 G65 F68 M98 | L56-M59 PolarHBondContact O-N 2.61Å; G57-M59 PolarHBondContact O-N 3.45Å; M59-S61 PolarHBondContact O-N 2.77Å; M59-G65 WeakPolarHBondContact O-CA 3.37Å; M59-F68 HydrophobicContact CB-CD1 4.11Å; M59-F68 HydrophobicContact CB-CD2 3.69Å; M59-F68 HydrophobicContact CB-CE1 4.06Å; M59-F68 HydrophobicContact CB-CE2 3.65Å; M59-F68 HydrophobicContact CB-CG 3.94Å; M59-F68 HydrophobicContact CB-CZ 3.85Å; M59-F68 HydrophobicContact CE-CD2 3.79Å; M59-F68 HydrophobicContact CE-CE2 3.8Å; M59-F68 HydrophobicContact CG-CE2 4.29Å; M59-F68 HydrophobicContact SD-CD2 4.21Å; M59-F68 HydrophobicContact SD-CE2 3.68Å; M59-F68 HydrophobicContact SD-CZ 4.34Å; M59-M98 HydrophobicContact CE-CE 3.57Å; M59-M98 HydrophobicContact CE-SD 4.18Å |
| 60 | A | 87.6 | Confident | 88.8 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -13.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | W51 G58 F68 K69 | W51-A60 HydrophobicContact CB-CB 4.37Å; W51-A60 HydrophobicContact CD2-CB 4.27Å; W51-A60 HydrophobicContact CE3-CB 3.49Å; W51-A60 VanDerWaalsContact CE3-CB 3.49Å; W51-A60 HydrophobicContact CZ3-CB 4.19Å; G58-A60 PolarHBondContact O-N 3.14Å; A60-F68 HydrophobicContact CB-CD1 3.9Å; A60-F68 HydrophobicContact CB-CE1 4.06Å; A60-K69 HydrophobicContact CB-CG 4.24Å; A60-K69 WeakPolarHBondContact O-CE 3.3Å; A60-K69 PolarHBondContact O-NZ 3.03Å |
| 61 | S | 86.5 | Confident | 89 | Confident | 90 Ų | 90 | 54 Ų | 54 | 63% | 0.629 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -122.2 | 75 | -177.3 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | G58 M59 | G58-S61 CarbonylContact O-C 3.58Å; G58-S61 WeakPolarHBondContact O-CA 3.04Å; G58-S61 PolarHBondContact O-N 3.28Å; M59-S61 PolarHBondContact O-N 2.77Å |
| 62 | G | 89.3 | Confident | 89.2 | Confident | 36 Ų | 36 | 53 Ų | 53 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -167 | -179.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | C64 G65 | G62-C64 PolarHBondContact O-N 2.99Å; G62-G65 PolarHBondContact O-N 3.03Å |
| 63 | P | 92.4 | Very high | 89.5 | Confident | 63 Ų | 63 | 48 Ų | 48 | 41% | 0.409 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.4 | -179.2 | 26.2 | -34.8 | 0 | 0 | 0 | 113.1 | Y101 L104 Y105 | P63-Y101 HydrophobicContact CB-CD1 4.47Å; P63-Y101 HydrophobicContact CB-CD2 4.22Å; P63-Y101 HydrophobicContact CB-CE1 4.09Å; P63-Y101 HydrophobicContact CB-CE2 3.83Å; P63-Y101 HydrophobicContact CG-CD1 4.25Å; P63-Y101 HydrophobicContact CG-CD2 4.06Å; P63-Y101 HydrophobicContact CG-CE1 4.37Å; P63-Y101 HydrophobicContact CG-CE2 4.18Å; P63-Y101 HydrophobicContact CG-CG 4.1Å; P63-L104 HydrophobicContact CG-CD1 3.98Å; P63-Y105 HydrophobicContact CG-CE2 4.07Å |
| 64 | C | 94.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 11 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | G62 S66 Q67 F68 C97 M98 Y105 | G62-C64 PolarHBondContact O-N 2.99Å; C64-S66 VanDerWaalsContact C-N 3.28Å; C64-S66 PolarHBondContact O-N 3.42Å; C64-Q67 PolarHBondContact O-N 2.87Å; C64-F68 PolarHBondContact O-N 2.94Å; C64-F68 VanDerWaalsContact O-N 3.08Å; C64-C97 WeakPolarHBondContact CA-SG 3.13Å; C64-C97 HydrophobicContact CB-CB 3.76Å; C64-C97 WeakPolarHBondContact CB-SG 3.14Å; C64-C97 WeakPolarHBondContact SG-CB 3Å; C64-C97 PolarHBondContact SG-O 3.26Å; C64-C97 VanDerWaalsContact SG-O 3.35Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.46Å; C64-M98 HydrophobicContact CB-CG 4.23Å; C64-M98 PolarHBondContact SG-N 2.77Å; C64-Y105 HydrophobicContact CB-CE2 4.23Å |
| 65 | G | 92.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -28.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | M59 G62 K69 | M59-G65 WeakPolarHBondContact O-CA 3.37Å; G62-G65 PolarHBondContact O-N 3.03Å; G65-K69 WeakPolarHBondContact O-CB 3.03Å; G65-K69 WeakPolarHBondContact O-CG 3.41Å; G65-K69 PolarHBondContact O-N 3.24Å |
| 66 | S | 94.6 | Very high | 90.7 | Very high | 72 Ų | 72 | 45.3 Ų | 45.3 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 175.4 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | C64 F68 K69 E70 | C64-S66 VanDerWaalsContact C-N 3.28Å; C64-S66 PolarHBondContact O-N 3.42Å; S66-F68 VanDerWaalsContact C-N 3.33Å; S66-F68 PolarHBondContact O-N 3.17Å; S66-K69 PolarHBondContact O-N 3.31Å; S66-E70 PolarHBondContact O-N 3Å |
| 67 | Q | 94.3 | Very high | 91 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.2 | -37.6 | -179.9 | -52.8 | -41.7 | 100 | 0 | 0 | 110.8 | C64 E70 A71 T93 M94 C97 | C64-Q67 PolarHBondContact O-N 2.87Å; Q67-E70 PolarHBondContact O-N 3.11Å; Q67-A71 WeakPolarHBondContact O-CB 3.31Å; Q67-A71 PolarHBondContact O-N 3.11Å; Q67-T93 HydrophobicContact CG-CG2 4.21Å; Q67-M94 HydrophobicContact CB-CB 3.87Å; Q67-M94 HydrophobicContact CB-CG 4.31Å; Q67-C97 HydrophobicContact CG-CB 4.4Å |
| 68 | F | 94.3 | Very high | 91.6 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 173.2 | 179.2 | -91.6 | 0 | 0 | 0 | 111.8 | W51 L56 M59 A60 C64 S66 E70 A71 F72 M94 | W51-F68 HydrophobicContact CZ3-CD1 4.11Å; W51-F68 AromaticContact CZ3-CE1 3.91Å; W51-F68 HydrophobicContact CZ3-CE1 3.91Å; L56-F68 HydrophobicContact CD2-CE1 4.14Å; L56-F68 HydrophobicContact CD2-CZ 4.12Å; M59-F68 HydrophobicContact CB-CD1 4.11Å; M59-F68 HydrophobicContact CB-CD2 3.69Å; M59-F68 HydrophobicContact CB-CE1 4.06Å; M59-F68 HydrophobicContact CB-CE2 3.65Å; M59-F68 HydrophobicContact CB-CG 3.94Å; M59-F68 HydrophobicContact CB-CZ 3.85Å; M59-F68 HydrophobicContact CE-CD2 3.79Å; M59-F68 HydrophobicContact CE-CE2 3.8Å; M59-F68 HydrophobicContact CG-CE2 4.29Å; M59-F68 HydrophobicContact SD-CD2 4.21Å; M59-F68 HydrophobicContact SD-CE2 3.68Å; M59-F68 HydrophobicContact SD-CZ 4.34Å; A60-F68 HydrophobicContact CB-CD1 3.9Å; A60-F68 HydrophobicContact CB-CE1 4.06Å; C64-F68 PolarHBondContact O-N 2.94Å; C64-F68 VanDerWaalsContact O-N 3.08Å; S66-F68 VanDerWaalsContact C-N 3.33Å; S66-F68 PolarHBondContact O-N 3.17Å; F68-E70 VanDerWaalsContact C-N 3.31Å; F68-E70 PolarHBondContact O-N 2.97Å; F68-A71 PolarHBondContact O-N 3.28Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 HydrophobicContact CZ-CB 4.49Å; F68-F72 HydrophobicContact CZ-CD2 4.41Å; F68-F72 HydrophobicContact CZ-CG 4.49Å; F68-F72 WeakPolarHBondContact O-CB 3.37Å; F68-F72 PolarHBondContact O-N 3.35Å; F68-M94 HydrophobicContact CB-CG 4.27Å; F68-M94 HydrophobicContact CB-SD 3.91Å; F68-M94 HydrophobicContact CD2-SD 3.52Å; F68-M94 VanDerWaalsContact CD2-SD 3.52Å; F68-M94 HydrophobicContact CE2-SD 4.49Å; F68-M94 HydrophobicContact CG-SD 4.16Å |
| 69 | K | 93.6 | Very high | 91.9 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 178.6 | -75.4 | 174.2 | 178.4 | 174 | 0 | 112.1 | W51 A60 G65 S66 S73 | W51-K69 HydrophobicContact CD2-CD 4.21Å; W51-K69 HydrophobicContact CD2-CG 3.8Å; W51-K69 HydrophobicContact CE3-CG 3.73Å; W51-K69 VanDerWaalsContact CH2-CA 3.43Å; W51-K69 HydrophobicContact CH2-CB 3.81Å; W51-K69 HydrophobicContact CH2-CG 3.71Å; W51-K69 HydrophobicContact CZ2-CB 3.87Å; W51-K69 HydrophobicContact CZ2-CG 3.78Å; W51-K69 HydrophobicContact CZ3-CB 4.24Å; W51-K69 HydrophobicContact CZ3-CG 3.68Å; A60-K69 HydrophobicContact CB-CG 4.24Å; A60-K69 WeakPolarHBondContact O-CE 3.3Å; A60-K69 PolarHBondContact O-NZ 3.03Å; G65-K69 WeakPolarHBondContact O-CB 3.03Å; G65-K69 WeakPolarHBondContact O-CG 3.41Å; G65-K69 PolarHBondContact O-N 3.24Å; S66-K69 PolarHBondContact O-N 3.31Å; K69-S73 WeakPolarHBondContact O-CB 3.29Å; K69-S73 PolarHBondContact O-N 3.43Å; K69-S73 PolarHBondContact O-OG 2.93Å |
| 70 | E | 93.9 | Very high | 92.2 | Very high | 98 Ų | 98 | 55.8 Ų | 55.8 | 46% | 0.458 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.4 | -47.4 | 178.8 | -170 | 173.2 | -170.5 | 0 | 0 | 111.7 | S66 Q67 F68 S73 C74 Q90 | S66-E70 PolarHBondContact O-N 3Å; Q67-E70 PolarHBondContact O-N 3.11Å; F68-E70 VanDerWaalsContact C-N 3.31Å; F68-E70 PolarHBondContact O-N 2.97Å; E70-S73 PolarHBondContact O-OG 3.3Å; E70-C74 VanDerWaalsContact O-CB 3.3Å; E70-C74 WeakPolarHBondContact O-CB 3.27Å; E70-C74 PolarHBondContact O-N 3.4Å; E70-Q90 HydrophobicContact CG-CG 4.22Å |
| 71 | A | 94 | Very high | 92 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q67 F68 C74 F75 Q90 F91 M94 | Q67-A71 WeakPolarHBondContact O-CB 3.31Å; Q67-A71 PolarHBondContact O-N 3.11Å; F68-A71 PolarHBondContact O-N 3.28Å; A71-C74 PolarHBondContact O-N 3.41Å; A71-F75 PolarHBondContact O-N 2.94Å; A71-Q90 HydrophobicContact CB-CB 3.87Å; A71-F91 HydrophobicContact CB-CD1 4Å; A71-F91 HydrophobicContact CB-CD2 4.13Å; A71-F91 HydrophobicContact CB-CE1 4.06Å; A71-F91 HydrophobicContact CB-CE2 4.18Å; A71-F91 HydrophobicContact CB-CG 4.03Å; A71-F91 HydrophobicContact CB-CZ 4.15Å; A71-M94 HydrophobicContact CB-SD 4.49Å |
| 72 | F | 92.8 | Very high | 92.1 | Very high | 45 Ų | 45 | 65.1 Ų | 65.1 | 20% | 0.197 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.9 | -37.4 | -178.2 | -169.1 | -97.1 | 0 | 0 | 0 | 112.6 | I49 W51 L56 F68 F75 H76 | I49-F72 HydrophobicContact CD1-CD1 3.83Å; I49-F72 HydrophobicContact CD1-CE1 4.17Å; I49-F72 HydrophobicContact CG1-CD1 4.36Å; I49-F72 HydrophobicContact CG1-CE1 4.23Å; I49-F72 HydrophobicContact CG2-CD1 4.06Å; I49-F72 HydrophobicContact CG2-CE1 3.87Å; W51-F72 HydrophobicContact CH2-CB 4.12Å; W51-F72 AromaticContact CH2-CD1 3.87Å; W51-F72 HydrophobicContact CH2-CD1 3.87Å; W51-F72 HydrophobicContact CH2-CG 4.45Å; W51-F72 HydrophobicContact CZ3-CB 4.32Å; W51-F72 AromaticContact CZ3-CD1 3.94Å; W51-F72 HydrophobicContact CZ3-CD1 3.94Å; W51-F72 HydrophobicContact CZ3-CG 4.45Å; L56-F72 HydrophobicContact CD2-CE1 4.33Å; L56-F72 HydrophobicContact CD2-CZ 4.28Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 HydrophobicContact CZ-CB 4.49Å; F68-F72 HydrophobicContact CZ-CD2 4.41Å; F68-F72 HydrophobicContact CZ-CG 4.49Å; F68-F72 WeakPolarHBondContact O-CB 3.37Å; F68-F72 PolarHBondContact O-N 3.35Å; F72-F75 PolarHBondContact O-N 2.99Å; F72-H76 WeakPolarHBondContact O-CB 3.37Å; F72-H76 PolarHBondContact O-N 3.43Å |
| 73 | S | 93.1 | Very high | 92 | Very high | 34 Ų | 34 | 68.5 Ų | 68.5 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 172.1 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | K69 E70 F75 H76 Y77 | K69-S73 WeakPolarHBondContact O-CB 3.29Å; K69-S73 PolarHBondContact O-N 3.43Å; K69-S73 PolarHBondContact O-OG 2.93Å; E70-S73 PolarHBondContact O-OG 3.3Å; S73-F75 PolarHBondContact O-N 3.25Å; S73-H76 PolarHBondContact O-N 3.05Å; S73-Y77 WeakPolarHBondContact O-CB 3.3Å; S73-Y77 WeakPolarHBondContact O-CD2 3.2Å; S73-Y77 PolarHBondContact O-N 3.04Å |
| 74 | C | 94 | Very high | 91.8 | Very high | 34 Ų | 34 | 65.6 Ų | 65.6 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | E70 A71 H76 Y77 S78 C87 | E70-C74 VanDerWaalsContact O-CB 3.3Å; E70-C74 WeakPolarHBondContact O-CB 3.27Å; E70-C74 PolarHBondContact O-N 3.4Å; A71-C74 PolarHBondContact O-N 3.41Å; C74-H76 PolarHBondContact O-N 3.29Å; C74-Y77 PolarHBondContact O-N 2.71Å; C74-S78 VanDerWaalsContact O-CB 3.29Å; C74-S78 WeakPolarHBondContact O-CB 3.19Å; C74-S78 PolarHBondContact O-N 2.92Å; C74-C87 HydrophobicContact CB-CB 3.71Å; C74-C87 WeakPolarHBondContact CB-SG 3.37Å; C74-C87 PolarHBondContact O-SG 3.12Å; C74-C87 VanDerWaalsContact O-SG 3.36Å; C74-C87 WeakPolarHBondContact SG-CB 3.43Å; C74-C87 CovalentContact SG-SG 2.02Å; C74-C87 PolarHBondContact SG-SG 2.87Å |
| 75 | F | 93 | Very high | 91.6 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 177.5 | 175.2 | -97.3 | 0 | 0 | 0 | 112.9 | A71 F72 S73 S78 K83 F91 | A71-F75 PolarHBondContact O-N 2.94Å; F72-F75 PolarHBondContact O-N 2.99Å; S73-F75 PolarHBondContact O-N 3.25Å; F75-S78 PolarHBondContact O-N 3.37Å; F75-K83 HydrophobicContact CD2-CB 4Å; F75-K83 WeakPolarHBondContact CD2-O 3.4Å; F75-K83 HydrophobicContact CE2-CB 3.41Å; F75-K83 VanDerWaalsContact CE2-CB 3.41Å; F75-K83 VanDerWaalsContact CE2-O 3.28Å; F75-K83 WeakPolarHBondContact CE2-O 3.21Å; F75-K83 HydrophobicContact CZ-CB 3.79Å; F75-F91 HydrophobicContact CB-CE2 4.03Å; F75-F91 HydrophobicContact CB-CZ 4.02Å; F75-F91 HydrophobicContact CG-CZ 4.48Å |
| 76 | H | 90.7 | Very high | 91.7 | Very high | 57 Ų | 57 | 73.4 Ų | 73.4 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | -178.8 | -177.9 | 60.2 | 0 | 0 | 0 | 112 | I43 I49 F72 S73 C74 | I43-H76 WeakPolarHBondContact CD1-CE1 3.33Å; I49-H76 HydrophobicContact CD1-CB 4.04Å; F72-H76 WeakPolarHBondContact O-CB 3.37Å; F72-H76 PolarHBondContact O-N 3.43Å; S73-H76 PolarHBondContact O-N 3.05Å; C74-H76 PolarHBondContact O-N 3.29Å |
| 77 | Y | 90.7 | Very high | 91.7 | Very high | 124 Ų | 124 | 70 Ų | 70 | 49% | 0.486 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -85.3 | -8.9 | -178.5 | -63.2 | -52.9 | 0 | 0 | 0 | 114.5 | G47 S73 C74 Q79 | G47-Y77 WeakPolarHBondContact O-CE1 3.4Å; G47-Y77 PolarHBondContact O-OH 3.21Å; S73-Y77 WeakPolarHBondContact O-CB 3.3Å; S73-Y77 WeakPolarHBondContact O-CD2 3.2Å; S73-Y77 PolarHBondContact O-N 3.04Å; C74-Y77 PolarHBondContact O-N 2.71Å; Y77-Q79 PolarHBondContact O-N 3.38Å |
| 78 | S | 92.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 71.4 Ų | 71.4 | 3% | 0.028 | 35% | 0.347 | C | S | . | . | trans | -60.3 | 134.5 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | C74 F75 E80 K83 G84 E86 | C74-S78 VanDerWaalsContact O-CB 3.29Å; C74-S78 WeakPolarHBondContact O-CB 3.19Å; C74-S78 PolarHBondContact O-N 2.92Å; F75-S78 PolarHBondContact O-N 3.37Å; S78-E80 PolarHBondContact OG-N 2.85Å; S78-K83 WeakPolarHBondContact O-CD 3.47Å; S78-K83 PolarHBondContact O-NZ 3.18Å; S78-G84 PolarHBondContact OG-N 3.05Å; S78-G84 VanDerWaalsContact OG-N 3.14Å; S78-E86 WeakPolarHBondContact CA-OE1 3.31Å; S78-E86 VanDerWaalsContact CB-OE1 3.27Å; S78-E86 WeakPolarHBondContact CB-OE1 3.49Å; S78-E86 PolarHBondContact OG-OE1 3.18Å | ||
| 79 | Q | 89.5 | Confident | 91.7 | Very high | 189 Ų | 189 | 75.8 Ų | 75.8 | 88% | 0.883 | 37% | 0.368 | S | S | * | . | trans | -103.7 | 5.2 | 179.4 | -70.2 | 175.6 | 77.5 | 0 | 0 | 112.4 | Y77 | Y77-Q79 PolarHBondContact O-N 3.38Š| ||
| 80 | E | 91.3 | Very high | 91.7 | Very high | 92 Ų | 92 | 74.9 Ų | 74.9 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -68.9 | 153.1 | 179.4 | -69.9 | -63.7 | 155 | 0 | 0 | 112.3 | S78 V82 S85 | S78-E80 PolarHBondContact OG-N 2.85Å; E80-V82 WeakPolarHBondContact CB-O 3.1Å; E80-V82 PolarHBondContact O-N 2.83Å; E80-S85 WeakPolarHBondContact CB-OG 3.26Å; E80-S85 WeakPolarHBondContact CG-OG 3.16Å |
| 81 | E | 84.2 | Confident | 91.7 | Very high | 193 Ų | 193 | 73.3 Ų | 73.3 | 90% | 0.902 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -58.2 | -38.4 | 179.1 | 61.3 | -179.8 | 171.6 | 0 | 0 | 111.7 | ||
| 82 | V | 88.6 | Confident | 91.7 | Very high | 96 Ų | 96 | 79.5 Ų | 79.5 | 58% | 0.582 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -102.3 | 105.1 | 166.5 | -179.6 | 0 | 0 | 0 | 0 | 106.7 | E80 G84 S85 | E80-V82 WeakPolarHBondContact CB-O 3.1Å; E80-V82 PolarHBondContact O-N 2.83Å; V82-G84 PolarHBondContact O-N 3.28Å; V82-S85 WeakPolarHBondContact O-CB 3.41Å; V82-S85 PolarHBondContact O-N 3.07Å; V82-S85 PolarHBondContact O-OG 3.19Å |
| 83 | K | 86.9 | Confident | 91.8 | Very high | 107 Ų | 107 | 80 Ų | 80 | 47% | 0.465 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 123.4 | -179.5 | -72.8 | -71.2 | -174 | 167.9 | 0 | 111.4 | F75 S78 S85 | F75-K83 HydrophobicContact CD2-CB 4Å; F75-K83 WeakPolarHBondContact CD2-O 3.4Å; F75-K83 HydrophobicContact CE2-CB 3.41Å; F75-K83 VanDerWaalsContact CE2-CB 3.41Å; F75-K83 VanDerWaalsContact CE2-O 3.28Å; F75-K83 WeakPolarHBondContact CE2-O 3.21Å; F75-K83 HydrophobicContact CZ-CB 3.79Å; S78-K83 WeakPolarHBondContact O-CD 3.47Å; S78-K83 PolarHBondContact O-NZ 3.18Å; K83-S85 VanDerWaalsContact C-N 3.33Å; K83-S85 PolarHBondContact O-N 3.01Å |
| 84 | G | 88 | Confident | 91.9 | Very high | 3 Ų | 3 | 79.4 Ų | 79.4 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 17.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S78 V82 E86 C87 | S78-G84 PolarHBondContact OG-N 3.05Å; S78-G84 VanDerWaalsContact OG-N 3.14Å; V82-G84 PolarHBondContact O-N 3.28Å; G84-E86 PolarHBondContact O-N 3.06Å; G84-C87 WeakPolarHBondContact O-CB 3.07Å; G84-C87 PolarHBondContact O-N 3.32Å |
| 85 | S | 91.6 | Very high | 91.8 | Very high | 57 Ų | 57 | 82.9 Ų | 82.9 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -55.4 | -32.5 | 169.2 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | E80 V82 K83 I88 | E80-S85 WeakPolarHBondContact CB-OG 3.26Å; E80-S85 WeakPolarHBondContact CG-OG 3.16Å; V82-S85 WeakPolarHBondContact O-CB 3.41Å; V82-S85 PolarHBondContact O-N 3.07Å; V82-S85 PolarHBondContact O-OG 3.19Å; K83-S85 VanDerWaalsContact C-N 3.33Å; K83-S85 PolarHBondContact O-N 3.01Å; S85-I88 WeakPolarHBondContact O-CG1 3.27Å |
| 86 | E | 94.1 | Very high | 91.9 | Very high | 111 Ų | 111 | 83.6 Ų | 83.6 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -78.6 | -15.2 | 174.4 | 66.5 | -167 | 128.4 | 0 | 0 | 114 | S78 G84 | S78-E86 WeakPolarHBondContact CA-OE1 3.31Å; S78-E86 VanDerWaalsContact CB-OE1 3.27Å; S78-E86 WeakPolarHBondContact CB-OE1 3.49Å; S78-E86 PolarHBondContact OG-OE1 3.18Å; G84-E86 PolarHBondContact O-N 3.06Å |
| 87 | C | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -98.6 | 6.4 | -170.7 | -54.9 | 0 | 0 | 0 | 0 | 113.9 | C74 G84 E89 Q90 F91 | C74-C87 HydrophobicContact CB-CB 3.71Å; C74-C87 WeakPolarHBondContact CB-SG 3.37Å; C74-C87 PolarHBondContact O-SG 3.12Å; C74-C87 VanDerWaalsContact O-SG 3.36Å; C74-C87 WeakPolarHBondContact SG-CB 3.43Å; C74-C87 CovalentContact SG-SG 2.02Å; C74-C87 PolarHBondContact SG-SG 2.87Å; G84-C87 WeakPolarHBondContact O-CB 3.07Å; G84-C87 PolarHBondContact O-N 3.32Å; C87-E89 PolarHBondContact O-N 2.92Å; C87-Q90 VanDerWaalsContact CA-OE1 3.28Å; C87-Q90 WeakPolarHBondContact O-CB 3.3Å; C87-Q90 PolarHBondContact O-N 2.99Å; C87-Q90 VanDerWaalsContact O-N 3.1Å; C87-Q90 PolarHBondContact O-OE1 2.84Å; C87-Q90 VanDerWaalsContact O-OE1 3.07Å; C87-F91 HydrophobicContact CB-CD2 4.27Å; C87-F91 HydrophobicContact CB-CE2 4.22Å; C87-F91 WeakPolarHBondContact O-CD2 3.49Å; C87-F91 PolarHBondContact O-N 3.29Å |
| 88 | I | 92.8 | Very high | 92.2 | Very high | 76 Ų | 76 | 77.2 Ų | 77.2 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -33.8 | -172.4 | -61.3 | -65.7 | 0 | 0 | 0 | 111.8 | S85 Q90 F91 R92 | S85-I88 WeakPolarHBondContact O-CG1 3.27Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 2.8Å; I88-F91 PolarHBondContact O-N 3.3Å; I88-R92 HydrophobicContact CG2-CG 4.48Å; I88-R92 VanDerWaalsContact CG2-CZ 3.4Å; I88-R92 WeakPolarHBondContact O-CG 3.3Å; I88-R92 PolarHBondContact O-N 3.46Å |
| 89 | E | 95.1 | Very high | 92.2 | Very high | 114 Ų | 114 | 82.3 Ų | 82.3 | 53% | 0.533 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 177.6 | -67.4 | -62.9 | 109.4 | 0 | 0 | 112.4 | C87 R92 T93 | C87-E89 PolarHBondContact O-N 2.92Å; E89-R92 WeakPolarHBondContact O-CB 3.3Å; E89-R92 PolarHBondContact O-N 3.39Å; E89-R92 IonicContact OE1-CZ 3.72Å; E89-R92 IonicContact OE1-NH1 2.63Å; E89-R92 PolarHBondContact OE1-NH1 3.23Å; E89-T93 PolarHBondContact O-N 2.67Å; E89-T93 PolarHBondContact O-OG1 2.86Å |
| 90 | Q | 93.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 81.1 Ų | 81.1 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.1 | -41.3 | 179 | -66.5 | 73 | 2.2 | 0 | 0 | 109.8 | E70 A71 C87 I88 T93 M94 | E70-Q90 HydrophobicContact CG-CG 4.22Å; A71-Q90 HydrophobicContact CB-CB 3.87Å; C87-Q90 VanDerWaalsContact CA-OE1 3.28Å; C87-Q90 WeakPolarHBondContact O-CB 3.3Å; C87-Q90 PolarHBondContact O-N 2.99Å; C87-Q90 VanDerWaalsContact O-N 3.1Å; C87-Q90 PolarHBondContact O-OE1 2.84Å; C87-Q90 VanDerWaalsContact O-OE1 3.07Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 2.8Å; Q90-T93 PolarHBondContact O-N 2.97Å; Q90-M94 WeakPolarHBondContact O-CB 3.23Å; Q90-M94 PolarHBondContact O-N 3.4Å |
| 91 | F | 93.3 | Very high | 92.4 | Very high | 66 Ų | 66 | 81.5 Ų | 81.5 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 172.2 | -80.1 | -77.4 | 0 | 0 | 0 | 112.5 | A71 F75 C87 I88 M94 Q95 | A71-F91 HydrophobicContact CB-CD1 4Å; A71-F91 HydrophobicContact CB-CD2 4.13Å; A71-F91 HydrophobicContact CB-CE1 4.06Å; A71-F91 HydrophobicContact CB-CE2 4.18Å; A71-F91 HydrophobicContact CB-CG 4.03Å; A71-F91 HydrophobicContact CB-CZ 4.15Å; F75-F91 HydrophobicContact CB-CE2 4.03Å; F75-F91 HydrophobicContact CB-CZ 4.02Å; F75-F91 HydrophobicContact CG-CZ 4.48Å; C87-F91 HydrophobicContact CB-CD2 4.27Å; C87-F91 HydrophobicContact CB-CE2 4.22Å; C87-F91 WeakPolarHBondContact O-CD2 3.49Å; C87-F91 PolarHBondContact O-N 3.29Å; I88-F91 PolarHBondContact O-N 3.3Å; F91-M94 HydrophobicContact CD1-CE 3.97Å; F91-M94 WeakPolarHBondContact O-CB 3.47Å; F91-M94 PolarHBondContact O-N 3.01Å; F91-Q95 WeakPolarHBondContact O-CB 3.38Å; F91-Q95 PolarHBondContact O-N 3.45Å |
| 92 | R | 94.6 | Very high | 92.7 | Very high | 130 Ų | 130 | 75.8 Ų | 75.8 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 173 | -76.2 | 175.2 | 178.5 | 133.1 | 6.9 | 111.3 | I88 E89 M94 Q95 E96 | I88-R92 HydrophobicContact CG2-CG 4.48Å; I88-R92 VanDerWaalsContact CG2-CZ 3.4Å; I88-R92 WeakPolarHBondContact O-CG 3.3Å; I88-R92 PolarHBondContact O-N 3.46Å; E89-R92 WeakPolarHBondContact O-CB 3.3Å; E89-R92 PolarHBondContact O-N 3.39Å; E89-R92 IonicContact OE1-CZ 3.72Å; E89-R92 IonicContact OE1-NH1 2.63Å; E89-R92 PolarHBondContact OE1-NH1 3.23Å; R92-M94 VanDerWaalsContact C-N 3.28Å; R92-M94 PolarHBondContact O-N 3.46Å; R92-Q95 PolarHBondContact O-N 3.48Å; R92-Q95 VanDerWaalsContact O-N 3.11Å; R92-E96 WeakPolarHBondContact O-CG 3.26Å; R92-E96 PolarHBondContact O-N 3.47Å |
| 93 | T | 95.3 | Very high | 92.8 | Very high | 56 Ų | 56 | 78.8 Ų | 78.8 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 179.1 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | Q67 E89 Q90 C97 | Q67-T93 HydrophobicContact CG-CG2 4.21Å; E89-T93 PolarHBondContact O-N 2.67Å; E89-T93 PolarHBondContact O-OG1 2.86Å; Q90-T93 PolarHBondContact O-N 2.97Å; T93-C97 PolarHBondContact O-N 3.28Å |
| 94 | M | 93.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 79.1 Ų | 79.1 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 173.4 | -178.6 | -165.3 | 78.6 | 0 | 0 | 111.5 | Q67 F68 A71 Q90 F91 R92 C97 M98 | Q67-M94 HydrophobicContact CB-CB 3.87Å; Q67-M94 HydrophobicContact CB-CG 4.31Å; F68-M94 HydrophobicContact CB-CG 4.27Å; F68-M94 HydrophobicContact CB-SD 3.91Å; F68-M94 HydrophobicContact CD2-SD 3.52Å; F68-M94 VanDerWaalsContact CD2-SD 3.52Å; F68-M94 HydrophobicContact CE2-SD 4.49Å; F68-M94 HydrophobicContact CG-SD 4.16Å; A71-M94 HydrophobicContact CB-SD 4.49Å; Q90-M94 WeakPolarHBondContact O-CB 3.23Å; Q90-M94 PolarHBondContact O-N 3.4Å; F91-M94 HydrophobicContact CD1-CE 3.97Å; F91-M94 WeakPolarHBondContact O-CB 3.47Å; F91-M94 PolarHBondContact O-N 3.01Å; R92-M94 VanDerWaalsContact C-N 3.28Å; R92-M94 PolarHBondContact O-N 3.46Å; M94-C97 WeakPolarHBondContact O-CA 3.44Å; M94-C97 VanDerWaalsContact O-CB 3.31Å; M94-C97 WeakPolarHBondContact O-CB 3.36Å; M94-C97 PolarHBondContact O-N 3.41Å; M94-C97 VanDerWaalsContact O-N 3.1Å; M94-M98 HydrophobicContact CE-SD 4.2Å; M94-M98 HydrophobicContact CG-SD 4.23Å; M94-M98 WeakPolarHBondContact O-CG 3.1Å; M94-M98 PolarHBondContact O-N 3.1Å |
| 95 | Q | 92.8 | Very high | 92.9 | Very high | 107 Ų | 107 | 80.5 Ų | 80.5 | 50% | 0.5 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | -180 | -169.2 | 163.8 | 71.5 | 0 | 0 | 111.9 | F91 R92 C97 M98 Q99 | F91-Q95 WeakPolarHBondContact O-CB 3.38Å; F91-Q95 PolarHBondContact O-N 3.45Å; R92-Q95 PolarHBondContact O-N 3.48Å; R92-Q95 VanDerWaalsContact O-N 3.11Å; Q95-C97 VanDerWaalsContact C-N 3.26Å; Q95-C97 PolarHBondContact O-N 3.43Å; Q95-M98 PolarHBondContact O-N 3.18Å; Q95-M98 VanDerWaalsContact O-N 3.14Å; Q95-Q99 WeakPolarHBondContact O-CG 3.29Å; Q95-Q99 PolarHBondContact O-N 3.08Å |
| 96 | E | 94.8 | Very high | 92.7 | Very high | 96 Ų | 96 | 82.9 Ų | 82.9 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 171.7 | -73.3 | 179.7 | -167.2 | 0 | 0 | 112.4 | R92 R100 | R92-E96 WeakPolarHBondContact O-CG 3.26Å; R92-E96 PolarHBondContact O-N 3.47Å; E96-R100 VanDerWaalsContact C-NH1 3.28Å; E96-R100 PolarHBondContact O-NH1 3.3Å |
| 97 | C | 94.6 | Very high | 92 | Very high | 17 Ų | 17 | 81.1 Ų | 81.1 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.4 | -48.6 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | C64 Q67 T93 M94 Q95 Q99 R100 Y101 | C64-C97 WeakPolarHBondContact CA-SG 3.13Å; C64-C97 HydrophobicContact CB-CB 3.76Å; C64-C97 WeakPolarHBondContact CB-SG 3.14Å; C64-C97 WeakPolarHBondContact SG-CB 3Å; C64-C97 PolarHBondContact SG-O 3.26Å; C64-C97 VanDerWaalsContact SG-O 3.35Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.46Å; Q67-C97 HydrophobicContact CG-CB 4.4Å; T93-C97 PolarHBondContact O-N 3.28Å; M94-C97 WeakPolarHBondContact O-CA 3.44Å; M94-C97 VanDerWaalsContact O-CB 3.31Å; M94-C97 WeakPolarHBondContact O-CB 3.36Å; M94-C97 PolarHBondContact O-N 3.41Å; M94-C97 VanDerWaalsContact O-N 3.1Å; Q95-C97 VanDerWaalsContact C-N 3.26Å; Q95-C97 PolarHBondContact O-N 3.43Å; C97-Q99 VanDerWaalsContact C-N 3.28Å; C97-Q99 PolarHBondContact O-N 2.73Å; C97-R100 WeakPolarHBondContact O-CB 3.37Å; C97-R100 PolarHBondContact O-N 2.88Å; C97-Y101 VanDerWaalsContact O-CD2 3.3Å; C97-Y101 WeakPolarHBondContact O-CD2 3.39Å |
| 98 | M | 92.3 | Very high | 90.6 | Very high | 30 Ų | 30 | 90.6 Ų | 90.6 | 15% | 0.148 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.8 | -36 | -178 | -65.4 | 172.5 | 86.6 | 0 | 0 | 112.1 | M59 C64 M94 Q95 R100 Y101 Y105 | M59-M98 HydrophobicContact CE-CE 3.57Å; M59-M98 HydrophobicContact CE-SD 4.18Å; C64-M98 HydrophobicContact CB-CG 4.23Å; C64-M98 PolarHBondContact SG-N 2.77Å; M94-M98 HydrophobicContact CE-SD 4.2Å; M94-M98 HydrophobicContact CG-SD 4.23Å; M94-M98 WeakPolarHBondContact O-CG 3.1Å; M94-M98 PolarHBondContact O-N 3.1Å; Q95-M98 PolarHBondContact O-N 3.18Å; Q95-M98 VanDerWaalsContact O-N 3.14Å; M98-R100 PolarHBondContact O-N 3Å; M98-Y101 CarbonylContact O-C 3.35Å; M98-Y101 PolarHBondContact O-N 3.03Å; M98-Y105 HydrophobicContact CB-CD2 3.98Å; M98-Y105 HydrophobicContact CB-CG 4.03Å; M98-Y105 HydrophobicContact CE-CD1 3.32Å; M98-Y105 HydrophobicContact CE-CE1 3.86Å; M98-Y105 HydrophobicContact CE-CG 3.71Å; M98-Y105 HydrophobicContact CG-CD1 4.35Å; M98-Y105 HydrophobicContact CG-CD2 3.98Å; M98-Y105 HydrophobicContact CG-CE2 4.27Å; M98-Y105 HydrophobicContact CG-CG 4.01Å |
| 99 | Q | 92.8 | Very high | 89.2 | Confident | 111 Ų | 111 | 94.8 Ų | 94.8 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.6 | -25.6 | 174.5 | -72.6 | 173.1 | 21.1 | 0 | 0 | 113.6 | Q95 C97 Y101 | Q95-Q99 WeakPolarHBondContact O-CG 3.29Å; Q95-Q99 PolarHBondContact O-N 3.08Å; C97-Q99 VanDerWaalsContact C-N 3.28Å; C97-Q99 PolarHBondContact O-N 2.73Å; Q99-Y101 VanDerWaalsContact C-N 3.27Å; Q99-Y101 PolarHBondContact O-N 3.28Å |
| 100 | R | 93.8 | Very high | 87.2 | Confident | 164 Ų | 164 | 96.7 Ų | 96.7 | 62% | 0.619 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -14 | 175.7 | -62.9 | 178.5 | -175.2 | 96.2 | -5.2 | 112.9 | E96 C97 M98 P102 | E96-R100 VanDerWaalsContact C-NH1 3.28Å; E96-R100 PolarHBondContact O-NH1 3.3Å; C97-R100 WeakPolarHBondContact O-CB 3.37Å; C97-R100 PolarHBondContact O-N 2.88Å; M98-R100 PolarHBondContact O-N 3Å; R100-P102 VanDerWaalsContact C-CD 3.42Å; R100-P102 WeakPolarHBondContact O-CD 3.24Å |
| 101 | Y | 92.1 | Very high | 85 | Confident | 101 Ų | 101 | 103.3 Ų | 103.3 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | trans | -126.2 | 62.4 | -178.5 | -56.5 | -81.8 | 0 | 0 | 0 | 111.6 | P63 C97 M98 Q99 D103 L104 Y105 | P63-Y101 HydrophobicContact CB-CD1 4.47Å; P63-Y101 HydrophobicContact CB-CD2 4.22Å; P63-Y101 HydrophobicContact CB-CE1 4.09Å; P63-Y101 HydrophobicContact CB-CE2 3.83Å; P63-Y101 HydrophobicContact CG-CD1 4.25Å; P63-Y101 HydrophobicContact CG-CD2 4.06Å; P63-Y101 HydrophobicContact CG-CE1 4.37Å; P63-Y101 HydrophobicContact CG-CE2 4.18Å; P63-Y101 HydrophobicContact CG-CG 4.1Å; C97-Y101 VanDerWaalsContact O-CD2 3.3Å; C97-Y101 WeakPolarHBondContact O-CD2 3.39Å; M98-Y101 CarbonylContact O-C 3.35Å; M98-Y101 PolarHBondContact O-N 3.03Å; Q99-Y101 VanDerWaalsContact C-N 3.27Å; Q99-Y101 PolarHBondContact O-N 3.28Å; Y101-D103 PolarHBondContact O-N 3.24Å; Y101-L104 PolarHBondContact O-N 3.49Å; Y101-L104 VanDerWaalsContact O-N 3.11Å; Y101-Y105 PolarHBondContact O-N 2.94Å | ||
| 102 | P | 90.7 | Very high | 82.9 | Confident | 73 Ų | 73 | 109.4 Ų | 109.4 | 47% | 0.474 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.5 | -174.7 | 26.9 | -35.9 | 0 | 0 | 0 | 113.8 | R100 L104 Y105 | R100-P102 VanDerWaalsContact C-CD 3.42Å; R100-P102 WeakPolarHBondContact O-CD 3.24Å; P102-L104 VanDerWaalsContact C-N 3.29Å; P102-L104 PolarHBondContact O-N 3.34Å; P102-Y105 CarbonylContact O-C 3.41Å |
| 103 | D | 89.9 | Confident | 80.1 | Confident | 158 Ų | 158 | 107.8 Ų | 107.8 | 85% | 0.845 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.3 | 177.9 | -61.9 | -39.6 | 0 | 0 | 0 | 112.9 | Y101 | Y101-D103 PolarHBondContact O-N 3.24Š|
| 104 | L | 88.1 | Confident | 77.7 | Confident | 114 Ų | 114 | 110.6 Ų | 110.6 | 60% | 0.597 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -28.2 | 179.2 | -64 | 177.4 | 0 | 0 | 0 | 112.1 | P63 Y101 P102 | P63-L104 HydrophobicContact CG-CD1 3.98Å; Y101-L104 PolarHBondContact O-N 3.49Å; Y101-L104 VanDerWaalsContact O-N 3.11Å; P102-L104 VanDerWaalsContact C-N 3.29Å; P102-L104 PolarHBondContact O-N 3.34Å |
| 105 | Y | 89.3 | Confident | 75.1 | Confident | 33 Ų | 33 | 115.7 Ų | 115.7 | 13% | 0.129 | 59% | 0.588 | C | S | . | * | S | Bend | trans | -127.2 | 82.7 | 179.1 | -54.7 | -69.3 | 0 | 0 | 0 | 109.5 | P63 C64 M98 Y101 P102 Q107 | P63-Y105 HydrophobicContact CG-CE2 4.07Å; C64-Y105 HydrophobicContact CB-CE2 4.23Å; M98-Y105 HydrophobicContact CB-CD2 3.98Å; M98-Y105 HydrophobicContact CB-CG 4.03Å; M98-Y105 HydrophobicContact CE-CD1 3.32Å; M98-Y105 HydrophobicContact CE-CE1 3.86Å; M98-Y105 HydrophobicContact CE-CG 3.71Å; M98-Y105 HydrophobicContact CG-CD1 4.35Å; M98-Y105 HydrophobicContact CG-CD2 3.98Å; M98-Y105 HydrophobicContact CG-CE2 4.27Å; M98-Y105 HydrophobicContact CG-CG 4.01Å; Y101-Y105 PolarHBondContact O-N 2.94Å; P102-Y105 CarbonylContact O-C 3.41Å; Y105-Q107 PolarHBondContact O-N 2.79Å |
| 106 | P | 86.9 | Confident | 72.9 | Confident | 107 Ų | 107 | 119.6 Ų | 119.6 | 70% | 0.695 | 61% | 0.607 | S | S | * | * | trans | -58.7 | 125.2 | 176.5 | -18.8 | 30.6 | 0 | 0 | 0 | 109.3 | ||||
| 107 | Q | 79.9 | Confident | 70.2 | Confident | 74 Ų | 74 | 118.8 Ų | 118.8 | 35% | 0.346 | 62% | 0.616 | S | S | . | * | trans | -77.3 | 131.3 | 169.6 | -59.3 | -63.5 | -34.7 | 0 | 0 | 107.1 | Y105 E109 | Y105-Q107 PolarHBondContact O-N 2.79Å; Q107-E109 HydrophobicContact CB-CG 4.22Å; Q107-E109 PolarHBondContact O-N 3.03Å | ||
| 108 | E | 67 | Low | 67.8 | Low | 199 Ų | 199 | 126.7 Ų | 126.7 | 93% | 0.93 | 65% | 0.651 | S | S | * | * | trans | -71.7 | 13.4 | 179.3 | -58.6 | -170.6 | 131.5 | 0 | 0 | 113.1 | D110 | E108-D110 PolarHBondContact O-N 2.76Š| ||
| 109 | E | 62.6 | Low | 65.1 | Low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | trans | -82.5 | 109.7 | -179 | -51.4 | -177 | 129.5 | 0 | 0 | 108.7 | Q107 | Q107-E109 HydrophobicContact CB-CG 4.22Å; Q107-E109 PolarHBondContact O-N 3.03Å | ||
| 110 | D | 53 | Low | 62.3 | Low | 154 Ų | 154 | 130.2 Ų | 130.2 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 88.7 | 70.4 | 171.9 | -147.6 | -96.9 | 0 | 0 | 0 | 117.3 | E108 | E108-D110 PolarHBondContact O-N 2.76Š|
| 111 | K | 47.4 | Very low | 59.4 | Low | 196 Ų | 196 | 125.8 Ų | 125.8 | 85% | 0.852 | 71% | 0.71 | S | S | * | * | trans | -141.3 | 98.6 | 146.4 | -79.7 | -165.8 | 177.4 | 168.9 | 0 | 112 | S113 | K111-S113 PolarHBondContact O-N 2.84Š| ||
| 112 | E | 49.7 | Very low | 56.6 | Low | 193 Ų | 193 | 125.5 Ų | 125.5 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | trans | -63 | 114.6 | 156.4 | 179.6 | 156.8 | 60.5 | 0 | 0 | 109.4 | ||||
| 113 | S | 36.3 | Very low | 54 | Low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 83.4 | 140 | 168.5 | -55.6 | 0 | 0 | 0 | 0 | 120.2 | K111 | K111-S113 PolarHBondContact O-N 2.84Š|
| 114 | P | 43.7 | Very low | 51.5 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | trans | -91.8 | 161.3 | -160.2 | 38 | -35 | 0 | 0 | 0 | 113.8 | ||||
| 115 | P | 38.7 | Very low | 48.9 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | -122.4 | 132.2 | 115.8 | 33.2 | -27.2 | 0 | 0 | 0 | 110.9 | |||||
| 116 | Q | 48.6 | Very low | 46.5 | Very low | 190 Ų | 190 | 131.9 Ų | 131.9 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -59.3 | 130.6 | 166.8 | -70.8 | 177.3 | -58.6 | 0 | 0 | 110.4 | ||||
| 117 | A | 37.7 | Very low | 44 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | trans | -156.1 | 105.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 118 | E | 43.4 | Very low | 41.9 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | 26.8 | 102.9 | 152.5 | 45.7 | -111.4 | 52 | 0 | 0 | 121.8 | ||||
| 119 | S | 35.1 | Very low | 40.4 | Very low | 127 Ų | 127 | 127 Ų | 127 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | -143.4 | 112.5 | 127.8 | -171.1 | 0 | 0 | 0 | 0 | 107.9 | G121 | S119-G121 PolarHBondContact O-N 3.06Š| |||
| 120 | G | 35.3 | Very low | 39.5 | Very low | 88 Ų | 88 | 127 Ų | 127 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -70.5 | 111 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 121 | G | 32.3 | Very low | 38.7 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 126.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109 | S119 | S119-G121 PolarHBondContact O-N 3.06Š|
| 122 | A | 33.5 | Very low | 38.4 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 146.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A124 | A122-A124 PolarHBondContact O-N 2.79Š|
| 123 | P | 36.7 | Very low | 38 | Very low | 126 Ų | 126 | 123 Ų | 123 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 125.1 | 175.2 | 29.7 | -30.7 | 0 | 0 | 0 | 109.3 | A125 | P123-A125 PolarHBondContact O-N 2.81Š|
| 124 | A | 36.2 | Very low | 37.9 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 131.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109 | A122 E126 | A122-A124 PolarHBondContact O-N 2.79Å; A124-E126 PolarHBondContact O-N 2.65Å |
| 125 | A | 34.2 | Very low | 37.5 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57 | 122.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | P123 G127 | P123-A125 PolarHBondContact O-N 2.81Å; A125-G127 PolarHBondContact O-N 3.04Å; A125-G127 VanDerWaalsContact O-N 3.11Å |
| 126 | E | 39 | Very low | 37.4 | Very low | 188 Ų | 188 | 125.3 Ų | 125.3 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -72.3 | 94 | 159 | -69.7 | -158 | 87.4 | 0 | 0 | 109 | A124 | A124-E126 PolarHBondContact O-N 2.65Š| ||
| 127 | G | 33.9 | Very low | 37.1 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -94.1 | 71.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A125 A129 | A125-G127 PolarHBondContact O-N 3.04Å; A125-G127 VanDerWaalsContact O-N 3.11Å; G127-A129 VanDerWaalsContact C-N 3.29Å; G127-A129 PolarHBondContact O-N 2.93Å | ||
| 128 | S | 36.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -72.9 | 85.8 | 165.7 | -89 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 129 | A | 34 | Very low | 36.8 | Very low | 91 Ų | 91 | 121 Ų | 121 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -90 | 109.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | G127 L131 | G127-A129 VanDerWaalsContact C-N 3.29Å; G127-A129 PolarHBondContact O-N 2.93Å; A129-L131 PolarHBondContact O-N 3.23Å | ||
| 130 | L | 43.8 | Very low | 36.8 | Very low | 163 Ų | 163 | 119.5 Ų | 119.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -59.7 | 115.6 | 169.8 | -69.5 | 162 | 0 | 0 | 0 | 110.4 | ||||
| 131 | L | 36.5 | Very low | 37.2 | Very low | 157 Ų | 157 | 121 Ų | 121 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -138.5 | 91.5 | 155.8 | -76.6 | 169.1 | 0 | 0 | 0 | 107.8 | A129 | A129-L131 PolarHBondContact O-N 3.23Š| ||
| 132 | S | 41.2 | Very low | 37.8 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -95.8 | 97.7 | 163.9 | -84.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 133 | E | 41.1 | Very low | 37.9 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -138.6 | 124.2 | 153.4 | -87.1 | 154.5 | 74.7 | 0 | 0 | 102.8 | ||||
| 134 | N | 35.2 | Very low | 38.2 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | -170.1 | 143.2 | 52 | -163.6 | 32.6 | 0 | 0 | 0 | 111.1 | |||||
| 135 | D | 35.1 | Very low | 38.7 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | 35.6 | 121.3 | 138.8 | -156.5 | -108.3 | 0 | 0 | 0 | 121.5 | ||||
| 136 | S | 35.7 | Very low | 39.1 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -142.6 | 132.2 | 137.5 | -87.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 137 | P | 43.7 | Very low | 39.4 | Very low | 95 Ų | 95 | 122.1 Ų | 122.1 | 62% | 0.617 | 80% | 0.797 | S | S | * | * | trans | -86.3 | 128.1 | -178.2 | 33.3 | -30.8 | 0 | 0 | 0 | 110.4 | V139 | P137-V139 HydrophobicContact CB-CG1 4.49Š| ||
| 138 | S | 36.6 | Very low | 39.9 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -102.6 | 105.8 | 155.4 | -94.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 139 | V | 37.6 | Very low | 40 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -98.3 | 115.2 | 164.9 | -39.7 | 0 | 0 | 0 | 0 | 107.4 | P137 | P137-V139 HydrophobicContact CB-CG1 4.49Š| ||
| 140 | A | 35.2 | Very low | 40.3 | Very low | 96 Ų | 96 | 129 Ų | 129 | 79% | 0.793 | 84% | 0.843 | S | S | * | * | trans | -162.6 | 87.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 141 | S | 43.3 | Very low | 40.2 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | trans | 40.2 | 145 | 150.2 | -59.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 142 | P | 44.7 | Very low | 40.3 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 76% | 0.76 | 84% | 0.843 | S | S | * | * | trans | -91.5 | 151.9 | -177.3 | 38 | -32.4 | 0 | 0 | 0 | 112.1 | ||||
| 143 | D | 35.5 | Very low | 40.3 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | trans | -115.9 | 138 | 154.7 | -144.4 | -62.1 | 0 | 0 | 0 | 110 | ||||
| 144 | S | 42.4 | Very low | 40.3 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 73% | 0.734 | 84% | 0.843 | S | S | * | * | trans | -83.1 | 156 | -162.9 | -74.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 145 | A | 47 | Very low | 40.6 | Very low | 102 Ų | 102 | 121 Ų | 121 | 84% | 0.843 | 85% | 0.845 | S | S | * | * | trans | -58.8 | 144.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 146 | S | 42.5 | Very low | 40.9 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 85% | 0.853 | 86% | 0.859 | S | S | * | * | trans | -149.8 | 132.7 | 137.6 | -165.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 147 | A | 46.3 | Very low | 41.3 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 74% | 0.744 | 86% | 0.862 | S | S | * | * | trans | -85.9 | 164.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 148 | A | 43.7 | Very low | 41.1 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 80% | 0.802 | 88% | 0.88 | S | S | * | * | trans | 95.2 | 134.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 149 | D | 39.2 | Very low | 41.5 | Very low | 177 Ų | 177 | 122.9 Ų | 122.9 | 95% | 0.947 | 88% | 0.879 | S | S | * | * | trans | 92.1 | 120.6 | 143 | -140.4 | -109.1 | 0 | 0 | 0 | 120.3 | ||||
| 150 | G | 40.7 | Very low | 41.9 | Very low | 147 Ų | 147 | 121.7 Ų | 121.7 | 100% | 1.515 | 88% | 0.883 | S | S | * | * | trans | 149.1 | 0 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 |
Retrieved 150 of 150 residues in 262.2 ms
(Link to these results)