| 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 | 47.7 | Very low | 67.7 | Low | 239 Ų | 239 | 139.7 Ų | 139.7 | 100% | 1.177 | 72% | 0.719 | S | S | * | * | 0 | 104.4 | 0 | -171.9 | -176.8 | -125 | 0 | 0 | 108.2 | K3 | M1-K3 PolarHBondContact O-N 3.4Š| |||
| 2 | F | 47.6 | Very low | 69.2 | Low | 211 Ų | 211 | 133.3 Ų | 133.3 | 93% | 0.925 | 70% | 0.695 | S | S | * | * | trans | -74.5 | 119.4 | 177.8 | -69.7 | -81.6 | 0 | 0 | 0 | 109.4 | A4 | F2-A4 PolarHBondContact O-N 2.96Š| ||
| 3 | K | 57.8 | Low | 70.4 | Confident | 210 Ų | 210 | 130.7 Ų | 130.7 | 91% | 0.913 | 68% | 0.682 | S | S | * | * | trans | -66.2 | 103.8 | 177.3 | -174.8 | 178.2 | 171.9 | 113.1 | 0 | 108.8 | M1 | M1-K3 PolarHBondContact O-N 3.4Š| ||
| 4 | A | 59.5 | Low | 71.6 | Confident | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F2 S6 | F2-A4 PolarHBondContact O-N 2.96Å; A4-S6 PolarHBondContact O-N 3.47Å |
| 5 | K | 58.5 | Low | 72.7 | Confident | 205 Ų | 205 | 125.6 Ų | 125.6 | 89% | 0.891 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 125.9 | 169.4 | -168 | 172.6 | -176.7 | 171.9 | 0 | 108.1 | K7 | K5-K7 PolarHBondContact O-N 3.07Å; K5-K7 VanDerWaalsContact O-N 3.14Å |
| 6 | S | 69.9 | Low | 73.8 | Confident | 86 Ų | 86 | 121.6 Ų | 121.6 | 60% | 0.601 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 121.1 | -179.9 | 66.9 | 0 | 0 | 0 | 0 | 109.6 | A4 N8 G9 | A4-S6 PolarHBondContact O-N 3.47Å; S6-N8 PolarHBondContact O-N 2.93Å; S6-G9 PolarHBondContact O-N 2.9Å; S6-G9 WeakPolarHBondContact OG-CA 3.49Å; S6-G9 PolarHBondContact OG-N 3.31Å |
| 7 | K | 73.6 | Confident | 74.7 | Confident | 206 Ų | 206 | 116.5 Ų | 116.5 | 90% | 0.896 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -24.1 | -177.3 | -169.9 | 174.8 | 177.4 | 179.6 | 0 | 112.5 | K5 | K5-K7 PolarHBondContact O-N 3.07Å; K5-K7 VanDerWaalsContact O-N 3.14Å |
| 8 | N | 81.6 | Confident | 75.5 | Confident | 108 Ų | 108 | 117.5 Ų | 117.5 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 5.3 | -174.6 | -60.9 | -27.7 | 0 | 0 | 0 | 114.4 | S6 G10 K11 S12 | S6-N8 PolarHBondContact O-N 2.93Å; N8-G10 VanDerWaalsContact C-N 3.29Å; N8-G10 PolarHBondContact O-N 3.27Å; N8-K11 PolarHBondContact O-N 2.95Å; N8-S12 PolarHBondContact O-N 2.81Å |
| 9 | G | 81.8 | Confident | 76.3 | Confident | 29 Ų | 29 | 120.9 Ų | 120.9 | 30% | 0.299 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -54.4 | -43.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S6 K11 L13 | S6-G9 PolarHBondContact O-N 2.9Å; S6-G9 WeakPolarHBondContact OG-CA 3.49Å; S6-G9 PolarHBondContact OG-N 3.31Å; G9-K11 VanDerWaalsContact C-N 3.35Å; G9-K11 PolarHBondContact O-N 3.28Å; G9-L13 WeakPolarHBondContact O-CB 3.29Å; G9-L13 PolarHBondContact O-N 2.95Å |
| 10 | G | 82.5 | Confident | 77.1 | Confident | 39 Ų | 39 | 121 Ų | 121 | 40% | 0.402 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.5 | -30.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N8 R14 | N8-G10 VanDerWaalsContact C-N 3.29Å; N8-G10 PolarHBondContact O-N 3.27Å; G10-R14 WeakPolarHBondContact O-CG 3.38Å; G10-R14 PolarHBondContact O-N 3.32Å; G10-R14 PolarHBondContact O-NE 3.25Å; G10-R14 PolarHBondContact O-NH1 3.15Å; G10-R14 VanDerWaalsContact O-NH1 3.08Å |
| 11 | K | 83.8 | Confident | 77.6 | Confident | 117 Ų | 117 | 118.5 Ų | 118.5 | 51% | 0.509 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.3 | -49.5 | 176.8 | -180 | 175.6 | 169.4 | 176.6 | 0 | 110.5 | N8 G9 L13 R14 E15 | N8-K11 PolarHBondContact O-N 2.95Å; G9-K11 VanDerWaalsContact C-N 3.35Å; G9-K11 PolarHBondContact O-N 3.28Å; K11-L13 VanDerWaalsContact C-N 3.28Å; K11-L13 PolarHBondContact O-N 3.34Å; K11-R14 PolarHBondContact O-N 3.46Å; K11-R14 VanDerWaalsContact O-N 3.09Å; K11-E15 WeakPolarHBondContact CE-OE1 3.49Å; K11-E15 WeakPolarHBondContact CG-OE1 3.43Å; K11-E15 IonicContact NZ-OE1 3.92Å; K11-E15 WeakPolarHBondContact O-CG 3.49Å; K11-E15 PolarHBondContact O-N 2.7Å |
| 12 | S | 86 | Confident | 79.3 | Confident | 62 Ų | 62 | 111.8 Ų | 111.8 | 43% | 0.434 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.4 | -37 | 177.7 | 174.7 | 0 | 0 | 0 | 0 | 112.6 | N8 S16 | N8-S12 PolarHBondContact O-N 2.81Å; S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 3.11Å; S12-S16 PolarHBondContact O-OG 3.03Å |
| 13 | L | 85.4 | Confident | 80.9 | Confident | 100 Ų | 100 | 108.3 Ų | 108.3 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63 | -45.6 | 173.4 | -178 | 63 | 0 | 0 | 0 | 111.7 | G9 K11 S16 L17 | G9-L13 WeakPolarHBondContact O-CB 3.29Å; G9-L13 PolarHBondContact O-N 2.95Å; K11-L13 VanDerWaalsContact C-N 3.28Å; K11-L13 PolarHBondContact O-N 3.34Å; L13-S16 PolarHBondContact O-N 3.25Å; L13-L17 HydrophobicContact CD1-CD1 4.06Å; L13-L17 HydrophobicContact CD1-CG 4.32Å; L13-L17 HydrophobicContact CG-CD1 3.95Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.44Å |
| 14 | R | 87.3 | Confident | 81.7 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 36% | 0.362 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -45.7 | 177.5 | -75.2 | -174.8 | -66.2 | -87.1 | 3 | 112 | G10 K11 S16 L17 E18 L24 | G10-R14 WeakPolarHBondContact O-CG 3.38Å; G10-R14 PolarHBondContact O-N 3.32Å; G10-R14 PolarHBondContact O-NE 3.25Å; G10-R14 PolarHBondContact O-NH1 3.15Å; G10-R14 VanDerWaalsContact O-NH1 3.08Å; K11-R14 PolarHBondContact O-N 3.46Å; K11-R14 VanDerWaalsContact O-N 3.09Å; R14-S16 VanDerWaalsContact C-N 3.33Å; R14-S16 PolarHBondContact O-N 3.04Å; R14-L17 PolarHBondContact O-N 2.68Å; R14-E18 WeakPolarHBondContact O-CB 3.47Å; R14-E18 PolarHBondContact O-N 2.96Å; R14-L24 VanDerWaalsContact CD-O 3.25Å; R14-L24 WeakPolarHBondContact CD-O 3.34Å; R14-L24 HydrophobicContact CG-CB 4.27Å |
| 15 | E | 88.1 | Confident | 82.4 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 42% | 0.416 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 177.2 | -70.4 | 169.2 | 179.9 | 0 | 0 | 112.3 | K11 K19 | K11-E15 WeakPolarHBondContact CE-OE1 3.49Å; K11-E15 WeakPolarHBondContact CG-OE1 3.43Å; K11-E15 IonicContact NZ-OE1 3.92Å; K11-E15 WeakPolarHBondContact O-CG 3.49Å; K11-E15 PolarHBondContact O-N 2.7Å; E15-K19 WeakPolarHBondContact O-CG 3.21Å; E15-K19 PolarHBondContact O-N 3.18Å |
| 16 | S | 89.5 | Confident | 83.1 | Confident | 62 Ų | 62 | 96 Ų | 96 | 43% | 0.434 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 178.2 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | S12 L13 R14 | S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 3.11Å; S12-S16 PolarHBondContact O-OG 3.03Å; L13-S16 PolarHBondContact O-N 3.25Å; R14-S16 VanDerWaalsContact C-N 3.33Å; R14-S16 PolarHBondContact O-N 3.04Å |
| 17 | L | 88.9 | Confident | 83 | Confident | 34 Ų | 34 | 94.8 Ų | 94.8 | 18% | 0.178 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -71.9 | -37.7 | 176.1 | -71.5 | 170.7 | 0 | 0 | 0 | 112 | L13 R14 K19 I20 G21 L22 L24 | L13-L17 HydrophobicContact CD1-CD1 4.06Å; L13-L17 HydrophobicContact CD1-CG 4.32Å; L13-L17 HydrophobicContact CG-CD1 3.95Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.44Å; R14-L17 PolarHBondContact O-N 2.68Å; L17-K19 VanDerWaalsContact C-N 3.28Å; L17-K19 PolarHBondContact O-N 3.4Å; L17-I20 HydrophobicContact CD2-CD1 3.99Å; L17-I20 CarbonylContact O-C 3.13Å; L17-I20 WeakPolarHBondContact O-CG1 3.33Å; L17-I20 PolarHBondContact O-N 3.47Å; L17-I20 VanDerWaalsContact O-N 3.07Å; L17-G21 PolarHBondContact O-N 3.35Å; L17-L22 CarbonylContact C-O 3.56Å; L17-L22 HydrophobicContact CB-CB 4.13Å; L17-L22 WeakPolarHBondContact CB-O 3.45Å; L17-L22 HydrophobicContact CD2-CB 4.41Å; L17-L22 HydrophobicContact CD2-CD1 4.09Å; L17-L22 PolarHBondContact O-N 3.16Å; L17-L24 HydrophobicContact CD1-CD1 3.12Å; L17-L24 HydrophobicContact CD1-CG 3.74Å |
| 18 | E | 89.7 | Confident | 82.4 | Confident | 135 Ų | 135 | 95.7 Ų | 95.7 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.5 | -37.6 | 175.9 | -172.6 | 171.7 | -158.5 | 0 | 0 | 111.6 | R14 I20 G21 L22 | R14-E18 WeakPolarHBondContact O-CB 3.47Å; R14-E18 PolarHBondContact O-N 2.96Å; E18-I20 PolarHBondContact O-N 3Å; E18-G21 PolarHBondContact O-N 3.36Å; E18-L22 PolarHBondContact N-O 3.26Å |
| 19 | K | 91.1 | Very high | 81.2 | Confident | 182 Ų | 182 | 101.1 Ų | 101.1 | 79% | 0.791 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.1 | -26.9 | 174 | -73.8 | 175.8 | -177.8 | -178.1 | 0 | 114.3 | E15 L17 | E15-K19 WeakPolarHBondContact O-CG 3.21Å; E15-K19 PolarHBondContact O-N 3.18Å; L17-K19 VanDerWaalsContact C-N 3.28Å; L17-K19 PolarHBondContact O-N 3.4Å |
| 20 | I | 91.3 | Very high | 80.1 | Confident | 123 Ų | 123 | 106.2 Ų | 106.2 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 12.7 | 175.7 | 64 | 170.3 | 0 | 0 | 0 | 112.4 | L17 E18 L22 | L17-I20 HydrophobicContact CD2-CD1 3.99Å; L17-I20 CarbonylContact O-C 3.13Å; L17-I20 WeakPolarHBondContact O-CG1 3.33Å; L17-I20 PolarHBondContact O-N 3.47Å; L17-I20 VanDerWaalsContact O-N 3.07Å; E18-I20 PolarHBondContact O-N 3Å; I20-L22 HydrophobicContact CD1-CD1 3.85Å; I20-L22 HydrophobicContact CD1-CG 4.36Å; I20-L22 HydrophobicContact CG1-CB 4.41Å; I20-L22 HydrophobicContact CG1-CD1 4.26Å; I20-L22 HydrophobicContact CG1-CG 4.24Å |
| 21 | G | 87.7 | Confident | 79.3 | Confident | 68 Ų | 68 | 110 Ų | 110 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | 12.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L17 E18 | L17-G21 PolarHBondContact O-N 3.35Å; E18-G21 PolarHBondContact O-N 3.36Å |
| 22 | L | 84.5 | Confident | 78.6 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | trans | -101.1 | 114.1 | 177.7 | -66.7 | -179.8 | 0 | 0 | 0 | 110.9 | L17 E18 I20 | L17-L22 CarbonylContact C-O 3.56Å; L17-L22 HydrophobicContact CB-CB 4.13Å; L17-L22 WeakPolarHBondContact CB-O 3.45Å; L17-L22 HydrophobicContact CD2-CB 4.41Å; L17-L22 HydrophobicContact CD2-CD1 4.09Å; L17-L22 PolarHBondContact O-N 3.16Å; E18-L22 PolarHBondContact N-O 3.26Å; I20-L22 HydrophobicContact CD1-CD1 3.85Å; I20-L22 HydrophobicContact CD1-CG 4.36Å; I20-L22 HydrophobicContact CG1-CB 4.41Å; I20-L22 HydrophobicContact CG1-CD1 4.26Å; I20-L22 HydrophobicContact CG1-CG 4.24Å | ||
| 23 | N | 81.7 | Confident | 78.2 | Confident | 138 Ų | 138 | 110.7 Ų | 110.7 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | trans | -90.7 | 115.3 | 176.6 | -168.1 | -11 | 0 | 0 | 0 | 110.8 | ||||
| 24 | L | 73.2 | Confident | 78.1 | Confident | 89 Ų | 89 | 110.4 Ų | 110.4 | 47% | 0.466 | 60% | 0.602 | S | S | . | * | trans | -108 | 106.1 | 170.5 | -77 | -170.2 | 0 | 0 | 0 | 110.3 | R14 L17 A26 | R14-L24 VanDerWaalsContact CD-O 3.25Å; R14-L24 WeakPolarHBondContact CD-O 3.34Å; R14-L24 HydrophobicContact CG-CB 4.27Å; L17-L24 HydrophobicContact CD1-CD1 3.12Å; L17-L24 HydrophobicContact CD1-CG 3.74Å; L24-A26 PolarHBondContact O-N 2.87Å | ||
| 25 | P | 73.8 | Confident | 78.1 | Confident | 79 Ų | 79 | 109 Ų | 109 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | trans | -63.2 | 137.3 | -180 | 24.8 | -32.6 | 0 | 0 | 0 | 110.9 | ||||
| 26 | A | 73.2 | Confident | 78.3 | Confident | 74 Ų | 74 | 112 Ų | 112 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 137.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | L24 | L24-A26 PolarHBondContact O-N 2.87Š|
| 27 | G | 68.3 | Low | 78.2 | Confident | 62 Ų | 62 | 111.2 Ų | 111.2 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.8 | 6 | 166 | 0 | 0 | 0 | 0 | 0 | 117.4 | R29 | G27-R29 PolarHBondContact O-N 3.49Š|
| 28 | R | 60.4 | Low | 78 | Confident | 225 Ų | 225 | 112.7 Ų | 112.7 | 85% | 0.849 | 62% | 0.623 | S | S | * | * | trans | -71.6 | 65.5 | 167.1 | -169.8 | 178.3 | -103.5 | 177 | -4.7 | 110.5 | K30 | R28-K30 PolarHBondContact O-N 3.19Š| ||
| 29 | R | 57.9 | Low | 78.1 | Confident | 222 Ų | 222 | 110.2 Ų | 110.2 | 84% | 0.838 | 62% | 0.62 | S | S | * | * | trans | -84.6 | 97.1 | 178.6 | -67.5 | -177 | -176.3 | -176 | 3.6 | 107.7 | G27 | G27-R29 PolarHBondContact O-N 3.49Š| ||
| 30 | K | 57.8 | Low | 78 | Confident | 136 Ų | 136 | 103.5 Ų | 103.5 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | trans | 81.9 | 121.6 | 162.7 | -47.2 | -173.6 | -178.8 | -169.1 | 0 | 115.6 | R28 V34 | R28-K30 PolarHBondContact O-N 3.19Å; K30-V34 HydrophobicContact CD-CG2 3.36Å | ||
| 31 | A | 65.3 | Low | 78.1 | Confident | 118 Ų | 118 | 102 Ų | 102 | 98% | 0.975 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -84.1 | -14.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 32 | A | 69.6 | Low | 78.3 | Confident | 49 Ų | 49 | 101.5 Ų | 101.5 | 41% | 0.405 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -126.8 | 155.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 33 | N | 78.7 | Confident | 78.6 | Confident | 144 Ų | 144 | 98.6 Ų | 98.6 | 77% | 0.77 | 56% | 0.563 | S | S | * | * | trans | -57.9 | 142.8 | 173.4 | -70.1 | -25.2 | 0 | 0 | 0 | 110.4 | T35 | N33-T35 PolarHBondContact O-N 2.96Š| ||
| 34 | V | 82.4 | Confident | 79.3 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 58% | 0.576 | 55% | 0.55 | S | S | * | * | trans | -72.1 | 117.3 | 175.5 | -170.4 | 0 | 0 | 0 | 0 | 108.3 | K30 | K30-V34 HydrophobicContact CD-CG2 3.36Š| ||
| 35 | T | 88.2 | Confident | 80.3 | Confident | 66 Ų | 66 | 92.6 Ų | 92.6 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | trans | -127.9 | 170 | 174.5 | 69.2 | 0 | 0 | 0 | 0 | 109.4 | N33 L37 T38 | N33-T35 PolarHBondContact O-N 2.96Å; T35-L37 PolarHBondContact O-N 3.08Å; T35-L37 PolarHBondContact OG1-N 2.69Å; T35-T38 PolarHBondContact N-OG1 3.28Å; T35-T38 WeakPolarHBondContact O-CB 3.33Å; T35-T38 PolarHBondContact O-N 3.4Å; T35-T38 PolarHBondContact O-OG1 2.93Å | ||
| 36 | L | 91.5 | Very high | 81.3 | Confident | 151 Ų | 151 | 91.4 Ų | 91.4 | 79% | 0.791 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -60.3 | -24.9 | 172.6 | -66.1 | 178.8 | 0 | 0 | 0 | 112.7 | T38 S39 | L36-T38 PolarHBondContact O-N 3.01Å; L36-S39 PolarHBondContact O-N 2.93Å; L36-S39 PolarHBondContact O-OG 3.27Å |
| 37 | L | 87.6 | Confident | 82.4 | Confident | 47 Ų | 47 | 92.8 Ų | 92.8 | 25% | 0.246 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -63.3 | -35 | 173.3 | -63.9 | 170.3 | 0 | 0 | 0 | 111.3 | T35 S39 L40 T133 H134 F136 | T35-L37 PolarHBondContact O-N 3.08Å; T35-L37 PolarHBondContact OG1-N 2.69Å; L37-S39 PolarHBondContact O-N 3Å; L37-L40 HydrophobicContact CD2-CD1 4.31Å; L37-L40 PolarHBondContact O-N 3.34Å; L37-L40 VanDerWaalsContact O-N 3.09Å; L37-T133 HydrophobicContact CD1-CG2 4.05Å; L37-H134 PolarHBondContact O-CD2 3.44Å; L37-H134 VanDerWaalsContact O-CD2 3.26Å; L37-F136 HydrophobicContact CD2-CD1 4.44Å |
| 38 | T | 84.3 | Confident | 83.8 | Confident | 65 Ų | 65 | 93.5 Ų | 93.5 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -69.1 | -12.9 | 178.9 | 68.7 | 0 | 0 | 0 | 0 | 114 | T35 L36 | T35-T38 PolarHBondContact N-OG1 3.28Å; T35-T38 WeakPolarHBondContact O-CB 3.33Å; T35-T38 PolarHBondContact O-N 3.4Å; T35-T38 PolarHBondContact O-OG1 2.93Å; L36-T38 PolarHBondContact O-N 3.01Å |
| 39 | S | 90.9 | Very high | 85.5 | Confident | 82 Ų | 82 | 83.1 Ų | 83.1 | 57% | 0.573 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -86.8 | -15.5 | 172.8 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | L36 L37 | L36-S39 PolarHBondContact O-N 2.93Å; L36-S39 PolarHBondContact O-OG 3.27Å; L37-S39 PolarHBondContact O-N 3Å |
| 40 | L | 90.8 | Very high | 87.4 | Confident | 41 Ų | 41 | 80.2 Ų | 80.2 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -80.7 | 139 | 178.7 | -61.7 | 174.8 | 0 | 0 | 0 | 110.1 | L37 E44 A45 L48 | L37-L40 HydrophobicContact CD2-CD1 4.31Å; L37-L40 PolarHBondContact O-N 3.34Å; L37-L40 VanDerWaalsContact O-N 3.09Å; L40-E44 HydrophobicContact CB-CB 4.49Å; L40-E44 HydrophobicContact CD2-CB 4.16Å; L40-A45 HydrophobicContact CB-CB 4.29Å; L40-A45 HydrophobicContact CD1-CB 4.24Å; L40-L48 HydrophobicContact CD1-CD2 4.1Å |
| 41 | V | 92.2 | Very high | 89.3 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 56% | 0.558 | 45% | 0.448 | S | S | * | . | trans | -79.1 | 157.5 | 159.8 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | G43 E44 A45 | V41-G43 PolarHBondContact O-N 3.46Å; V41-E44 HydrophobicContact CG2-CB 4.05Å; V41-E44 HydrophobicContact CG2-CG 3.58Å; V41-E44 PolarHBondContact N-OE2 3.02Å; V41-E44 WeakPolarHBondContact O-CB 3.49Å; V41-E44 PolarHBondContact O-N 2.94Å; V41-A45 PolarHBondContact O-N 2.86Å | ||
| 42 | E | 91.3 | Very high | 90.9 | Very high | 58 Ų | 58 | 76.9 Ų | 76.9 | 27% | 0.271 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54.1 | -40 | -178 | -167.1 | 179 | 67.8 | 0 | 0 | 113.2 | E44 A45 I46 C110 | E42-E44 PolarHBondContact O-N 2.91Å; E42-A45 PolarHBondContact O-N 3.13Å; E42-I46 HydrophobicContact CG-CD1 4.03Å; E42-I46 VanDerWaalsContact O-CG1 3.28Å; E42-I46 WeakPolarHBondContact O-CG1 3.34Å; E42-I46 PolarHBondContact O-N 3.35Å; E42-C110 WeakPolarHBondContact OE1-CA 3.47Å; E42-C110 PolarHBondContact OE1-N 3.06Å; E42-C110 PolarHBondContact OE1-SG 3.42Å; E42-C110 PolarHBondContact OE2-N 3.28Å; E42-C110 VanDerWaalsContact OE2-N 3.16Å |
| 43 | G | 92.3 | Very high | 92.3 | Very high | 38 Ų | 38 | 75.2 Ų | 75.2 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | V41 H47 | V41-G43 PolarHBondContact O-N 3.46Å; G43-H47 PolarHBondContact O-N 2.93Å; G43-H47 VanDerWaalsContact O-N 3.08Å |
| 44 | E | 95.2 | Very high | 93.2 | Very high | 101 Ų | 101 | 75.5 Ų | 75.5 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 177.1 | -71.3 | 172.3 | 154.8 | 0 | 0 | 111.1 | L40 V41 E42 I46 H47 L48 | L40-E44 HydrophobicContact CB-CB 4.49Å; L40-E44 HydrophobicContact CD2-CB 4.16Å; V41-E44 HydrophobicContact CG2-CB 4.05Å; V41-E44 HydrophobicContact CG2-CG 3.58Å; V41-E44 PolarHBondContact N-OE2 3.02Å; V41-E44 WeakPolarHBondContact O-CB 3.49Å; V41-E44 PolarHBondContact O-N 2.94Å; E42-E44 PolarHBondContact O-N 2.91Å; E44-I46 PolarHBondContact O-N 3.36Å; E44-H47 PolarHBondContact O-N 3.32Å; E44-L48 WeakPolarHBondContact O-CB 3.3Å; E44-L48 PolarHBondContact O-N 3.11Å |
| 45 | A | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L40 V41 E42 L48 A49 H134 F136 | L40-A45 HydrophobicContact CB-CB 4.29Å; L40-A45 HydrophobicContact CD1-CB 4.24Å; V41-A45 PolarHBondContact O-N 2.86Å; E42-A45 PolarHBondContact O-N 3.13Å; A45-L48 PolarHBondContact O-N 3.29Å; A45-A49 WeakPolarHBondContact O-CB 3.48Å; A45-A49 PolarHBondContact O-N 3.49Å; A45-H134 HydrophobicContact CB-CB 3.47Å; A45-H134 VanDerWaalsContact CB-CB 3.47Å; A45-H134 VanDerWaalsContact CB-O 3.22Å; A45-H134 WeakPolarHBondContact CB-O 3.4Å; A45-F136 HydrophobicContact CB-CB 4.1Å |
| 46 | I | 94.1 | Very high | 94.5 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 27% | 0.272 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 175.4 | -69.5 | 166.7 | 0 | 0 | 0 | 111.4 | E42 E44 A49 R50 C110 | E42-I46 HydrophobicContact CG-CD1 4.03Å; E42-I46 VanDerWaalsContact O-CG1 3.28Å; E42-I46 WeakPolarHBondContact O-CG1 3.34Å; E42-I46 PolarHBondContact O-N 3.35Å; E44-I46 PolarHBondContact O-N 3.36Å; I46-A49 WeakPolarHBondContact O-CB 3.34Å; I46-A49 PolarHBondContact O-N 3.12Å; I46-R50 PolarHBondContact O-N 3.08Å; I46-R50 VanDerWaalsContact O-N 3.16Å; I46-C110 WeakPolarHBondContact CD1-SG 3.39Å |
| 47 | H | 95.8 | Very high | 94.7 | Very high | 104 Ų | 104 | 71.2 Ų | 71.2 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.1 | -73.3 | 173.8 | 0 | 0 | 0 | 111.6 | G43 E44 A49 R50 D51 | G43-H47 PolarHBondContact O-N 2.93Å; G43-H47 VanDerWaalsContact O-N 3.08Å; E44-H47 PolarHBondContact O-N 3.32Å; H47-A49 PolarHBondContact O-N 3.43Å; H47-R50 WeakPolarHBondContact O-CB 3.3Å; H47-R50 PolarHBondContact O-N 3.48Å; H47-R50 VanDerWaalsContact O-N 3.09Å; H47-D51 PolarHBondContact O-N 2.96Å |
| 48 | L | 97.3 | Very high | 95.2 | Very high | 76 Ų | 76 | 72 Ų | 72 | 40% | 0.398 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.6 | -38.8 | 175.4 | -179.3 | 62.9 | 0 | 0 | 0 | 111.9 | L40 E44 A45 R50 D51 F52 F136 | L40-L48 HydrophobicContact CD1-CD2 4.1Å; E44-L48 WeakPolarHBondContact O-CB 3.3Å; E44-L48 PolarHBondContact O-N 3.11Å; A45-L48 PolarHBondContact O-N 3.29Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.16Å; L48-D51 PolarHBondContact O-N 2.91Å; L48-F52 WeakPolarHBondContact O-CB 3.26Å; L48-F52 PolarHBondContact O-N 2.83Å; L48-F136 HydrophobicContact CB-CD2 4.19Å; L48-F136 HydrophobicContact CB-CE2 4.42Å; L48-F136 HydrophobicContact CD2-CD2 4.02Å; L48-F136 HydrophobicContact CD2-CE2 3.97Å; L48-F136 HydrophobicContact CG-CD2 3.9Å; L48-F136 HydrophobicContact CG-CE2 3.71Å |
| 49 | A | 97.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 75.5 Ų | 75.5 | 6% | 0.058 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A45 I46 H47 G53 F136 P139 | A45-A49 WeakPolarHBondContact O-CB 3.48Å; A45-A49 PolarHBondContact O-N 3.49Å; I46-A49 WeakPolarHBondContact O-CB 3.34Å; I46-A49 PolarHBondContact O-N 3.12Å; H47-A49 PolarHBondContact O-N 3.43Å; A49-G53 PolarHBondContact O-N 3.21Å; A49-F136 HydrophobicContact CB-CD2 3.71Å; A49-F136 HydrophobicContact CB-CE2 4.35Å; A49-P139 HydrophobicContact CB-CB 4.05Å |
| 50 | R | 97.4 | Very high | 96.2 | Very high | 161 Ų | 161 | 75.9 Ų | 75.9 | 61% | 0.608 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.3 | -49 | 174.6 | -175 | -169.8 | -60.8 | 157.5 | 3.5 | 111.3 | I46 H47 L48 F52 G53 Y54 | I46-R50 PolarHBondContact O-N 3.08Å; I46-R50 VanDerWaalsContact O-N 3.16Å; H47-R50 WeakPolarHBondContact O-CB 3.3Å; H47-R50 PolarHBondContact O-N 3.48Å; H47-R50 VanDerWaalsContact O-N 3.09Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.16Å; R50-F52 VanDerWaalsContact C-N 3.32Å; R50-F52 PolarHBondContact O-N 3.29Å; R50-G53 PolarHBondContact O-N 3.09Å; R50-G53 VanDerWaalsContact O-N 3.17Å; R50-Y54 PolarHBondContact O-N 3.31Å |
| 51 | D | 98.2 | Very high | 96.6 | Very high | 102 Ų | 102 | 76.8 Ų | 76.8 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | -179.7 | -67.7 | -9.3 | 0 | 0 | 0 | 111 | H47 L48 Y54 A55 | H47-D51 PolarHBondContact O-N 2.96Å; L48-D51 PolarHBondContact O-N 2.91Å; D51-Y54 PolarHBondContact O-N 3.13Å; D51-A55 WeakPolarHBondContact O-CB 3.23Å; D51-A55 PolarHBondContact O-N 3.13Å |
| 52 | F | 98.4 | Very high | 96.8 | Very high | 82 Ų | 82 | 73.1 Ų | 73.1 | 36% | 0.36 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 173.6 | -178.3 | -106.3 | 0 | 0 | 0 | 111.9 | L48 R50 A55 C56 F136 A140 | L48-F52 WeakPolarHBondContact O-CB 3.26Å; L48-F52 PolarHBondContact O-N 2.83Å; R50-F52 VanDerWaalsContact C-N 3.32Å; R50-F52 PolarHBondContact O-N 3.29Å; F52-A55 PolarHBondContact O-N 2.99Å; F52-C56 VanDerWaalsContact CZ-SG 3.6Å; F52-C56 PolarHBondContact O-N 3.25Å; F52-C56 PolarHBondContact O-SG 3.45Å; F52-F136 HydrophobicContact CB-CE2 4.31Å; F52-A140 HydrophobicContact CD1-CB 3.96Å; F52-A140 HydrophobicContact CE1-CB 4.17Å; F52-A140 WeakPolarHBondContact CE1-O 3.48Å |
| 53 | G | 98.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 76.1 Ų | 76.1 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | A49 R50 C56 E57 S143 | A49-G53 PolarHBondContact O-N 3.21Å; R50-G53 PolarHBondContact O-N 3.09Å; R50-G53 VanDerWaalsContact O-N 3.17Å; G53-C56 WeakPolarHBondContact O-CB 3.39Å; G53-C56 PolarHBondContact O-N 2.98Å; G53-E57 PolarHBondContact O-N 3.07Å; G53-E57 VanDerWaalsContact O-N 3.1Å; G53-S143 WeakPolarHBondContact CA-OG 3.2Å |
| 54 | Y | 98.5 | Very high | 97.4 | Very high | 150 Ų | 150 | 80.1 Ų | 80.1 | 59% | 0.588 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60 | -46.9 | 174.9 | -178.1 | -98.5 | 0 | 0 | 0 | 111.5 | R50 D51 C56 E57 T58 | R50-Y54 PolarHBondContact O-N 3.31Å; D51-Y54 PolarHBondContact O-N 3.13Å; Y54-C56 VanDerWaalsContact C-N 3.32Å; Y54-C56 PolarHBondContact O-N 3.48Å; Y54-E57 PolarHBondContact O-N 3.31Å; Y54-T58 HydrophobicContact CD1-CG2 4.42Å; Y54-T58 HydrophobicContact CD2-CG2 4.01Å; Y54-T58 HydrophobicContact CE1-CG2 4.02Å; Y54-T58 HydrophobicContact CE2-CG2 3.59Å; Y54-T58 HydrophobicContact CG-CG2 4.41Å; Y54-T58 PolarHBondContact O-N 3.25Å; Y54-T58 PolarHBondContact O-OG1 3.01Å |
| 55 | A | 98.5 | Very high | 97.5 | Very high | 40 Ų | 40 | 77.8 Ų | 77.8 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D51 F52 E57 E59 F60 | D51-A55 WeakPolarHBondContact O-CB 3.23Å; D51-A55 PolarHBondContact O-N 3.13Å; F52-A55 PolarHBondContact O-N 2.99Å; A55-E57 VanDerWaalsContact C-N 3.26Å; A55-E57 PolarHBondContact O-N 3.36Å; A55-E59 HydrophobicContact CB-CG 4.38Å; A55-E59 WeakPolarHBondContact O-CA 3.47Å; A55-E59 VanDerWaalsContact O-CB 3.29Å; A55-E59 WeakPolarHBondContact O-CB 3.21Å; A55-E59 PolarHBondContact O-N 3.35Å; A55-F60 PolarHBondContact O-N 3.4Å |
| 56 | C | 98.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 77.8 Ų | 77.8 | 13% | 0.128 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.1 | -32.5 | 173.2 | -78 | 0 | 0 | 0 | 0 | 112.9 | F52 G53 Y54 F60 A147 | F52-C56 VanDerWaalsContact CZ-SG 3.6Å; F52-C56 PolarHBondContact O-N 3.25Å; F52-C56 PolarHBondContact O-SG 3.45Å; G53-C56 WeakPolarHBondContact O-CB 3.39Å; G53-C56 PolarHBondContact O-N 2.98Å; Y54-C56 VanDerWaalsContact C-N 3.32Å; Y54-C56 PolarHBondContact O-N 3.48Å; C56-F60 VanDerWaalsContact O-CB 3.27Å; C56-F60 WeakPolarHBondContact O-CB 3.46Å; C56-A147 HydrophobicContact CB-CB 4.19Å |
| 57 | E | 97.2 | Very high | 97.6 | Very high | 163 Ų | 163 | 77.2 Ų | 77.2 | 76% | 0.762 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -83.5 | -42.9 | -179.6 | -174.8 | 172.8 | -167.4 | 0 | 0 | 112.5 | G53 Y54 A55 | G53-E57 PolarHBondContact O-N 3.07Å; G53-E57 VanDerWaalsContact O-N 3.1Å; Y54-E57 PolarHBondContact O-N 3.31Å; A55-E57 VanDerWaalsContact C-N 3.26Å; A55-E57 PolarHBondContact O-N 3.36Å |
| 58 | T | 97.6 | Very high | 97.6 | Very high | 63 Ų | 63 | 80.2 Ų | 80.2 | 39% | 0.387 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -96.6 | -35.3 | -171.6 | 67.4 | 0 | 0 | 0 | 0 | 114.1 | Y54 | Y54-T58 HydrophobicContact CD1-CG2 4.42Å; Y54-T58 HydrophobicContact CD2-CG2 4.01Å; Y54-T58 HydrophobicContact CE1-CG2 4.02Å; Y54-T58 HydrophobicContact CE2-CG2 3.59Å; Y54-T58 HydrophobicContact CG-CG2 4.41Å; Y54-T58 PolarHBondContact O-N 3.25Å; Y54-T58 PolarHBondContact O-OG1 3.01Å |
| 59 | E | 97.9 | Very high | 97.4 | Very high | 139 Ų | 139 | 78.3 Ų | 78.3 | 65% | 0.65 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -27.6 | -171.8 | -52.4 | -53.8 | 127 | 0 | 0 | 112.7 | A55 P61 | A55-E59 HydrophobicContact CB-CG 4.38Å; A55-E59 WeakPolarHBondContact O-CA 3.47Å; A55-E59 VanDerWaalsContact O-CB 3.29Å; A55-E59 WeakPolarHBondContact O-CB 3.21Å; A55-E59 PolarHBondContact O-N 3.35Å; E59-P61 WeakPolarHBondContact O-CD 3.37Å |
| 60 | F | 98 | Very high | 97.2 | Very high | 90 Ų | 90 | 78 Ų | 78 | 40% | 0.395 | 37% | 0.372 | S | S | . | . | trans | -69.8 | 121.1 | -175.5 | -175.2 | -105.9 | 0 | 0 | 0 | 111.6 | A55 C56 S62 A147 | A55-F60 PolarHBondContact O-N 3.4Å; C56-F60 VanDerWaalsContact O-CB 3.27Å; C56-F60 WeakPolarHBondContact O-CB 3.46Å; F60-S62 VanDerWaalsContact CD1-OG 3.27Å; F60-S62 WeakPolarHBondContact CD1-OG 3.21Å; F60-S62 PolarHBondContact O-N 2.89Å; F60-A147 HydrophobicContact CD1-CB 3.76Å; F60-A147 HydrophobicContact CE1-CB 4.2Å; F60-A147 HydrophobicContact CG-CB 4.19Å | ||
| 61 | P | 98.2 | Very high | 96.8 | Very high | 59 Ų | 59 | 78 Ų | 78 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | trans | -82.7 | 58.9 | -170.7 | 34.4 | -36.7 | 0 | 0 | 0 | 112.4 | E59 R63 Q64 V65 | E59-P61 WeakPolarHBondContact O-CD 3.37Å; P61-R63 PolarHBondContact O-N 3.49Å; P61-R63 VanDerWaalsContact O-N 3.11Å; P61-Q64 HydrophobicContact CB-CB 4.29Å; P61-Q64 PolarHBondContact O-N 2.86Å; P61-Q64 VanDerWaalsContact O-N 3.15Å; P61-Q64 PolarHBondContact O-OE1 3.29Å; P61-V65 HydrophobicContact CG-CG2 4.02Å; P61-V65 WeakPolarHBondContact O-CG2 3.47Å; P61-V65 PolarHBondContact O-N 3.44Å | ||
| 62 | S | 98 | Very high | 96.2 | Very high | 15 Ų | 15 | 77.4 Ų | 77.4 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -48.5 | -44 | -174.5 | -67.5 | 0 | 0 | 0 | 0 | 112.8 | F60 A66 S150 | F60-S62 VanDerWaalsContact CD1-OG 3.27Å; F60-S62 WeakPolarHBondContact CD1-OG 3.21Å; F60-S62 PolarHBondContact O-N 2.89Å; S62-A66 WeakPolarHBondContact O-CB 3.5Å; S62-A66 PolarHBondContact O-N 3.39Å; S62-S150 VanDerWaalsContact OG-CB 3.23Å; S62-S150 WeakPolarHBondContact OG-CB 3.47Å |
| 63 | R | 97.4 | Very high | 95.4 | Very high | 122 Ų | 122 | 77.4 Ų | 77.4 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.5 | -50.9 | -178.3 | -180 | 177.2 | 170.8 | -178.4 | -2.9 | 112 | P61 V65 A66 E67 E154 | P61-R63 PolarHBondContact O-N 3.49Å; P61-R63 VanDerWaalsContact O-N 3.11Å; R63-V65 VanDerWaalsContact C-N 3.31Å; R63-V65 PolarHBondContact O-N 2.87Å; R63-A66 WeakPolarHBondContact O-CB 3.3Å; R63-A66 PolarHBondContact O-N 2.97Å; R63-E67 HydrophobicContact CG-CG 4.35Å; R63-E67 IonicContact CZ-OE1 2.81Å; R63-E67 IonicContact NE-OE1 2.77Å; R63-E67 PolarHBondContact NE-OE1 3.34Å; R63-E67 IonicContact NH2-OE1 3.71Å; R63-E67 PolarHBondContact NH2-OE1 3.13Å; R63-E67 WeakPolarHBondContact O-CG 3.37Å; R63-E67 PolarHBondContact O-N 3.05Å; R63-E154 HydrophobicContact CB-CB 4.47Å; R63-E154 HydrophobicContact CB-CG 3.98Å |
| 64 | Q | 97.9 | Very high | 94.4 | Very high | 122 Ų | 122 | 77.7 Ų | 77.7 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | -177.4 | -64.6 | 80.9 | -11.7 | 0 | 0 | 110.7 | P61 Y68 | P61-Q64 HydrophobicContact CB-CB 4.29Å; P61-Q64 PolarHBondContact O-N 2.86Å; P61-Q64 VanDerWaalsContact O-N 3.15Å; P61-Q64 PolarHBondContact O-OE1 3.29Å; Q64-Y68 VanDerWaalsContact O-CB 3.3Å; Q64-Y68 WeakPolarHBondContact O-CB 3.35Å; Q64-Y68 PolarHBondContact O-N 3.37Å |
| 65 | V | 97.7 | Very high | 93.2 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 175.5 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | P61 R63 Y68 V69 Y151 | P61-V65 HydrophobicContact CG-CG2 4.02Å; P61-V65 WeakPolarHBondContact O-CG2 3.47Å; P61-V65 PolarHBondContact O-N 3.44Å; R63-V65 VanDerWaalsContact C-N 3.31Å; R63-V65 PolarHBondContact O-N 2.87Å; V65-Y68 PolarHBondContact O-N 3.48Å; V65-V69 WeakPolarHBondContact O-CG2 3.25Å; V65-V69 PolarHBondContact O-N 3.02Å; V65-Y151 HydrophobicContact CB-CD2 4.17Å; V65-Y151 HydrophobicContact CG1-CD2 3.77Å; V65-Y151 HydrophobicContact CG1-CE2 3.81Å |
| 66 | A | 97 | Very high | 92 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S62 R63 Y68 V69 C70 Y151 E154 S155 | S62-A66 WeakPolarHBondContact O-CB 3.5Å; S62-A66 PolarHBondContact O-N 3.39Å; R63-A66 WeakPolarHBondContact O-CB 3.3Å; R63-A66 PolarHBondContact O-N 2.97Å; A66-Y68 PolarHBondContact O-N 3.14Å; A66-V69 PolarHBondContact O-N 3.36Å; A66-C70 VanDerWaalsContact O-CB 3.3Å; A66-C70 WeakPolarHBondContact O-CB 3.48Å; A66-C70 PolarHBondContact O-N 3.24Å; A66-C70 PolarHBondContact O-SG 2.91Å; A66-Y151 VanDerWaalsContact CA-CE2 3.46Å; A66-Y151 HydrophobicContact CB-CD2 3.83Å; A66-Y151 HydrophobicContact CB-CE2 4.05Å; A66-E154 HydrophobicContact CB-CB 3.58Å; A66-S155 WeakPolarHBondContact CB-OG 3.08Å |
| 67 | E | 94.7 | Very high | 91.3 | Very high | 40 Ų | 40 | 78.7 Ų | 78.7 | 19% | 0.187 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 178.3 | -68.5 | -174.4 | -169.8 | 0 | 0 | 111.4 | R63 C70 R71 Y158 | R63-E67 HydrophobicContact CG-CG 4.35Å; R63-E67 IonicContact CZ-OE1 2.81Å; R63-E67 IonicContact NE-OE1 2.77Å; R63-E67 PolarHBondContact NE-OE1 3.34Å; R63-E67 IonicContact NH2-OE1 3.71Å; R63-E67 PolarHBondContact NH2-OE1 3.13Å; R63-E67 WeakPolarHBondContact O-CG 3.37Å; R63-E67 PolarHBondContact O-N 3.05Å; E67-C70 PolarHBondContact O-N 2.73Å; E67-R71 WeakPolarHBondContact O-CB 3.41Å; E67-R71 WeakPolarHBondContact O-CG 3.49Å; E67-R71 PolarHBondContact O-N 2.75Å; E67-R71 IonicContact OE2-NH2 3.29Å; E67-Y158 HydrophobicContact CB-CD2 4.22Å; E67-Y158 HydrophobicContact CB-CE2 4.34Å; E67-Y158 HydrophobicContact CG-CD2 3.74Å; E67-Y158 HydrophobicContact CG-CE2 4.22Å |
| 68 | Y | 95.4 | Very high | 90.8 | Very high | 167 Ų | 167 | 75.7 Ų | 75.7 | 66% | 0.655 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.2 | -47.1 | 178.8 | 177.3 | -97 | 0 | 0 | 0 | 112.4 | Q64 V65 A66 S72 | Q64-Y68 VanDerWaalsContact O-CB 3.3Å; Q64-Y68 WeakPolarHBondContact O-CB 3.35Å; Q64-Y68 PolarHBondContact O-N 3.37Å; V65-Y68 PolarHBondContact O-N 3.48Å; A66-Y68 PolarHBondContact O-N 3.14Å; Y68-S72 PolarHBondContact O-N 2.68Å; Y68-S72 PolarHBondContact O-OG 3.45Å |
| 69 | V | 93.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 79.2 Ų | 79.2 | 22% | 0.218 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 179.2 | 175 | 0 | 0 | 0 | 0 | 110.7 | V65 A66 R71 S72 Q73 Y151 | V65-V69 WeakPolarHBondContact O-CG2 3.25Å; V65-V69 PolarHBondContact O-N 3.02Å; A66-V69 PolarHBondContact O-N 3.36Å; V69-R71 PolarHBondContact O-N 3.05Å; V69-S72 PolarHBondContact O-N 3.41Å; V69-S72 VanDerWaalsContact O-N 3.12Å; V69-Q73 HydrophobicContact CG1-CG 4.25Å; V69-Q73 WeakPolarHBondContact O-CG 3.18Å; V69-Q73 PolarHBondContact O-N 3.49Å; V69-Q73 VanDerWaalsContact O-N 3.08Å; V69-Y151 HydrophobicContact CB-CE2 4.4Å; V69-Y151 WeakPolarHBondContact CG1-OH 3.49Å; V69-Y151 HydrophobicContact CG2-CE2 4.28Å |
| 70 | C | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 178.9 | -74.5 | 0 | 0 | 0 | 0 | 111.7 | A66 E67 S72 Q73 C74 Y158 | A66-C70 VanDerWaalsContact O-CB 3.3Å; A66-C70 WeakPolarHBondContact O-CB 3.48Å; A66-C70 PolarHBondContact O-N 3.24Å; A66-C70 PolarHBondContact O-SG 2.91Å; E67-C70 PolarHBondContact O-N 2.73Å; C70-S72 PolarHBondContact O-N 2.95Å; C70-S72 VanDerWaalsContact O-N 3.11Å; C70-Q73 PolarHBondContact O-N 2.81Å; C70-Q73 VanDerWaalsContact O-N 3.16Å; C70-C74 WeakPolarHBondContact O-CB 3.33Å; C70-C74 PolarHBondContact O-N 2.83Å; C70-C74 PolarHBondContact O-SG 3.48Å; C70-Y158 HydrophobicContact CB-CD1 3.22Å; C70-Y158 HydrophobicContact CB-CE1 3.47Å; C70-Y158 VanDerWaalsContact CB-CE1 3.47Å; C70-Y158 HydrophobicContact CB-CG 3.95Å |
| 71 | R | 89.2 | Confident | 89.3 | Confident | 161 Ų | 161 | 71.3 Ų | 71.3 | 61% | 0.608 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -54.6 | -33.5 | 175.5 | -75.6 | 172.8 | -166.1 | -149.1 | 7.1 | 113.5 | E67 V69 Y158 | E67-R71 WeakPolarHBondContact O-CB 3.41Å; E67-R71 WeakPolarHBondContact O-CG 3.49Å; E67-R71 PolarHBondContact O-N 2.75Å; E67-R71 IonicContact OE2-NH2 3.29Å; V69-R71 PolarHBondContact O-N 3.05Å; R71-Y158 VanDerWaalsContact CG-OH 3.26Å; R71-Y158 WeakPolarHBondContact CG-OH 3.45Å |
| 72 | S | 86.1 | Confident | 88.9 | Confident | 89 Ų | 89 | 73 Ų | 73 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -85 | -29.3 | -177.5 | -54.4 | 0 | 0 | 0 | 0 | 113 | Y68 V69 C70 | Y68-S72 PolarHBondContact O-N 2.68Å; Y68-S72 PolarHBondContact O-OG 3.45Å; V69-S72 PolarHBondContact O-N 3.41Å; V69-S72 VanDerWaalsContact O-N 3.12Å; C70-S72 PolarHBondContact O-N 2.95Å; C70-S72 VanDerWaalsContact O-N 3.11Å |
| 73 | Q | 81 | Confident | 88.6 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 38% | 0.383 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -93.5 | -15.9 | -176.7 | -68.4 | -177.1 | -30.5 | 0 | 0 | 113.6 | V69 C70 S75 | V69-Q73 HydrophobicContact CG1-CG 4.25Å; V69-Q73 WeakPolarHBondContact O-CG 3.18Å; V69-Q73 PolarHBondContact O-N 3.49Å; V69-Q73 VanDerWaalsContact O-N 3.08Å; C70-Q73 PolarHBondContact O-N 2.81Å; C70-Q73 VanDerWaalsContact O-N 3.16Å; Q73-S75 PolarHBondContact O-N 3.13Å |
| 74 | C | 77 | Confident | 88.4 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 14% | 0.142 | 38% | 0.379 | C | S | . | . | trans | -98.3 | 92.9 | -175 | -55 | 0 | 0 | 0 | 0 | 110.6 | C70 G76 M81 L159 F163 | C70-C74 WeakPolarHBondContact O-CB 3.33Å; C70-C74 PolarHBondContact O-N 2.83Å; C70-C74 PolarHBondContact O-SG 3.48Å; C74-G76 PolarHBondContact O-N 2.89Å; C74-M81 VanDerWaalsContact CA-CE 3.46Å; C74-M81 HydrophobicContact CB-CE 3.77Å; C74-M81 HydrophobicContact CB-SD 3.33Å; C74-M81 WeakPolarHBondContact CB-SD 3.37Å; C74-M81 PolarHBondContact SG-SD 2.89Å; C74-L159 VanDerWaalsContact SG-CD2 3.53Å; C74-F163 HydrophobicContact CB-CE2 4.19Å; C74-F163 HydrophobicContact CB-CZ 4.38Å | ||
| 75 | S | 73.8 | Confident | 88.2 | Confident | 98 Ų | 98 | 71.4 Ų | 71.4 | 69% | 0.685 | 36% | 0.363 | S | S | * | . | trans | -74.8 | 2.9 | 177 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | Q73 D77 | Q73-S75 PolarHBondContact O-N 3.13Å; S75-D77 VanDerWaalsContact C-N 3.3Å | ||
| 76 | G | 73.8 | Confident | 88.1 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 50% | 0.495 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 83.5 | -4.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C74 L78 | C74-G76 PolarHBondContact O-N 2.89Å; G76-L78 PolarHBondContact O-N 3.19Å |
| 77 | D | 84 | Confident | 88.1 | Confident | 85 Ų | 85 | 77.7 Ų | 77.7 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | trans | -74.7 | 119.5 | 173.7 | -178.9 | -0.4 | 0 | 0 | 0 | 111.3 | S75 L79 E80 M81 | S75-D77 VanDerWaalsContact C-N 3.3Å; D77-L79 VanDerWaalsContact C-N 3.3Å; D77-L79 PolarHBondContact O-N 3.5Å; D77-L79 PolarHBondContact OD1-N 3.3Å; D77-L79 VanDerWaalsContact OD1-N 3.07Å; D77-E80 HydrophobicContact CB-CB 4.11Å; D77-E80 PolarHBondContact O-N 3.16Å; D77-M81 VanDerWaalsContact O-CG 3.29Å; D77-M81 WeakPolarHBondContact O-CG 3.35Å; D77-M81 PolarHBondContact O-N 3.3Å | ||
| 78 | L | 86.1 | Confident | 88.2 | Confident | 99 Ų | 99 | 76 Ų | 76 | 52% | 0.518 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.9 | -38 | -177.3 | -174.1 | 66.1 | 0 | 0 | 0 | 112.9 | G76 M81 Q82 | G76-L78 PolarHBondContact O-N 3.19Å; L78-M81 PolarHBondContact O-N 2.95Å; L78-Q82 WeakPolarHBondContact O-CB 3.3Å; L78-Q82 PolarHBondContact O-N 3.44Å |
| 79 | L | 87.8 | Confident | 88.3 | Confident | 138 Ų | 138 | 72.4 Ų | 72.4 | 72% | 0.723 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.9 | -42.2 | -179.6 | -71.1 | 175.6 | 0 | 0 | 0 | 111.1 | D77 M81 Q82 R83 | D77-L79 VanDerWaalsContact C-N 3.3Å; D77-L79 PolarHBondContact O-N 3.5Å; D77-L79 PolarHBondContact OD1-N 3.3Å; D77-L79 VanDerWaalsContact OD1-N 3.07Å; L79-M81 VanDerWaalsContact C-N 3.28Å; L79-M81 PolarHBondContact O-N 3.24Å; L79-Q82 PolarHBondContact O-N 3.22Å; L79-R83 WeakPolarHBondContact O-CB 3.35Å; L79-R83 PolarHBondContact O-N 3.11Å |
| 80 | E | 86.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 25% | 0.252 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 176.3 | -177.2 | 54.2 | -157.7 | 0 | 0 | 111.3 | D77 R83 R84 | D77-E80 HydrophobicContact CB-CB 4.11Å; D77-E80 PolarHBondContact O-N 3.16Å; E80-R83 PolarHBondContact O-N 3.29Å; E80-R83 IonicContact OE1-CZ 3.53Å; E80-R83 IonicContact OE1-NE 3.59Å; E80-R83 IonicContact OE1-NH2 2.95Å; E80-R83 PolarHBondContact OE1-NH2 3.08Å; E80-R83 IonicContact OE2-CZ 3.25Å; E80-R83 VanDerWaalsContact OE2-CZ 3.25Å; E80-R83 IonicContact OE2-NE 2.81Å; E80-R83 PolarHBondContact OE2-NE 3.38Å; E80-R83 IonicContact OE2-NH2 3.51Å; E80-R83 PolarHBondContact OE2-NH2 2.95Å; E80-R84 WeakPolarHBondContact O-CB 3.41Å; E80-R84 PolarHBondContact O-N 2.98Å |
| 81 | M | 87.3 | Confident | 88.8 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 4% | 0.044 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 176.2 | -66.7 | -53.6 | 88.3 | 0 | 0 | 113 | C74 D77 L78 L79 R84 K85 L159 F163 | C74-M81 VanDerWaalsContact CA-CE 3.46Å; C74-M81 HydrophobicContact CB-CE 3.77Å; C74-M81 HydrophobicContact CB-SD 3.33Å; C74-M81 WeakPolarHBondContact CB-SD 3.37Å; C74-M81 PolarHBondContact SG-SD 2.89Å; D77-M81 VanDerWaalsContact O-CG 3.29Å; D77-M81 WeakPolarHBondContact O-CG 3.35Å; D77-M81 PolarHBondContact O-N 3.3Å; L78-M81 PolarHBondContact O-N 2.95Å; L79-M81 VanDerWaalsContact C-N 3.28Å; L79-M81 PolarHBondContact O-N 3.24Å; M81-R84 HydrophobicContact CE-CB 4.44Å; M81-R84 PolarHBondContact O-N 2.91Å; M81-K85 WeakPolarHBondContact O-CB 3.39Å; M81-K85 PolarHBondContact O-N 3.27Å; M81-L159 HydrophobicContact SD-CD2 3.71Å; M81-F163 HydrophobicContact CG-CD1 4.45Å; M81-F163 HydrophobicContact CG-CD2 4.21Å; M81-F163 HydrophobicContact CG-CE2 4.33Å; M81-F163 HydrophobicContact CG-CG 4.27Å; M81-F163 HydrophobicContact CG-CZ 4.5Å; M81-F163 HydrophobicContact SD-CD2 4.35Å; M81-F163 HydrophobicContact SD-CE2 4.12Å |
| 82 | Q | 90.3 | Very high | 89.2 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 175.3 | -176.3 | 59.2 | 19.4 | 0 | 0 | 111 | L78 L79 R84 K85 E86 | L78-Q82 WeakPolarHBondContact O-CB 3.3Å; L78-Q82 PolarHBondContact O-N 3.44Å; L79-Q82 PolarHBondContact O-N 3.22Å; Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 2.96Å; Q82-K85 WeakPolarHBondContact O-CB 3.45Å; Q82-K85 PolarHBondContact O-N 3.15Å; Q82-E86 PolarHBondContact NE2-OE1 3.39Å; Q82-E86 VanDerWaalsContact NE2-OE1 3.15Å; Q82-E86 WeakPolarHBondContact O-CG 3.34Å; Q82-E86 PolarHBondContact O-N 3.42Å |
| 83 | R | 91.8 | Very high | 89.8 | Confident | 128 Ų | 128 | 70.6 Ų | 70.6 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 173.8 | -169.5 | -178.8 | 75 | 112.1 | -0.8 | 111.6 | L79 E80 E86 M87 | L79-R83 WeakPolarHBondContact O-CB 3.35Å; L79-R83 PolarHBondContact O-N 3.11Å; E80-R83 PolarHBondContact O-N 3.29Å; E80-R83 IonicContact OE1-CZ 3.53Å; E80-R83 IonicContact OE1-NE 3.59Å; E80-R83 IonicContact OE1-NH2 2.95Å; E80-R83 PolarHBondContact OE1-NH2 3.08Å; E80-R83 IonicContact OE2-CZ 3.25Å; E80-R83 VanDerWaalsContact OE2-CZ 3.25Å; E80-R83 IonicContact OE2-NE 2.81Å; E80-R83 PolarHBondContact OE2-NE 3.38Å; E80-R83 IonicContact OE2-NH2 3.51Å; E80-R83 PolarHBondContact OE2-NH2 2.95Å; R83-E86 PolarHBondContact O-N 2.81Å; R83-M87 HydrophobicContact CG-CE 4.34Å; R83-M87 WeakPolarHBondContact O-CG 3.33Å; R83-M87 PolarHBondContact O-N 3.01Å |
| 84 | R | 92.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 71 Ų | 71 | 15% | 0.151 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.9 | -175.5 | 59.3 | 175.6 | 159.7 | 2.8 | 112.2 | E80 M81 Q82 M87 L88 L159 | E80-R84 WeakPolarHBondContact O-CB 3.41Å; E80-R84 PolarHBondContact O-N 2.98Å; M81-R84 HydrophobicContact CE-CB 4.44Å; M81-R84 PolarHBondContact O-N 2.91Å; Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 2.96Å; R84-M87 HydrophobicContact CB-CE 4.38Å; R84-M87 PolarHBondContact O-N 3.41Å; R84-L88 HydrophobicContact CG-CD1 4.26Å; R84-L88 WeakPolarHBondContact O-CG 3.49Å; R84-L88 PolarHBondContact O-N 3.4Å; R84-L159 HydrophobicContact CB-CD1 4.48Å; R84-L159 HydrophobicContact CG-CD1 4.09Å |
| 85 | K | 94.2 | Very high | 91.6 | Very high | 56 Ų | 56 | 70.7 Ų | 70.7 | 24% | 0.243 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 176.5 | -176.5 | 169.6 | 180 | 165.2 | 0 | 111.5 | M81 Q82 L88 I89 L156 L159 D160 | M81-K85 WeakPolarHBondContact O-CB 3.39Å; M81-K85 PolarHBondContact O-N 3.27Å; Q82-K85 WeakPolarHBondContact O-CB 3.45Å; Q82-K85 PolarHBondContact O-N 3.15Å; K85-L88 PolarHBondContact O-N 2.69Å; K85-I89 HydrophobicContact CG-CD1 4.02Å; K85-I89 WeakPolarHBondContact O-CG1 3.44Å; K85-I89 PolarHBondContact O-N 3.08Å; K85-L156 HydrophobicContact CG-CD2 3.84Å; K85-L159 HydrophobicContact CB-CD1 4.3Å; K85-D160 IonicContact NZ-OD1 2.68Å; K85-D160 PolarHBondContact NZ-OD1 3.34Å |
| 86 | E | 95.6 | Very high | 92.8 | Very high | 109 Ų | 109 | 71.5 Ų | 71.5 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 176.4 | -72.2 | 169.2 | -165.2 | 0 | 0 | 112 | Q82 R83 L88 I89 A90 | Q82-E86 PolarHBondContact NE2-OE1 3.39Å; Q82-E86 VanDerWaalsContact NE2-OE1 3.15Å; Q82-E86 WeakPolarHBondContact O-CG 3.34Å; Q82-E86 PolarHBondContact O-N 3.42Å; R83-E86 PolarHBondContact O-N 2.81Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.47Å; E86-I89 PolarHBondContact O-N 3.08Å; E86-A90 WeakPolarHBondContact O-CB 3.35Å; E86-A90 PolarHBondContact O-N 3.26Å |
| 87 | M | 96.3 | Very high | 93.9 | Very high | 76 Ų | 76 | 74.5 Ų | 74.5 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 175.4 | -72.3 | -172.4 | -70.6 | 0 | 0 | 112.6 | R83 R84 A91 | R83-M87 HydrophobicContact CG-CE 4.34Å; R83-M87 WeakPolarHBondContact O-CG 3.33Å; R83-M87 PolarHBondContact O-N 3.01Å; R84-M87 HydrophobicContact CB-CE 4.38Å; R84-M87 PolarHBondContact O-N 3.41Å; M87-A91 WeakPolarHBondContact O-CB 3.33Å; M87-A91 PolarHBondContact O-N 2.87Å |
| 88 | L | 97 | Very high | 94.6 | Very high | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | 178.1 | -73.5 | 169.3 | 0 | 0 | 0 | 111.8 | R84 K85 E86 A91 K92 V152 L156 L159 | R84-L88 HydrophobicContact CG-CD1 4.26Å; R84-L88 WeakPolarHBondContact O-CG 3.49Å; R84-L88 PolarHBondContact O-N 3.4Å; K85-L88 PolarHBondContact O-N 2.69Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.47Å; L88-A91 PolarHBondContact O-N 3.34Å; L88-K92 WeakPolarHBondContact O-CB 3.48Å; L88-K92 PolarHBondContact O-N 3.33Å; L88-V152 HydrophobicContact CB-CG1 4.09Å; L88-V152 HydrophobicContact CD2-CG1 4.16Å; L88-V152 HydrophobicContact CD2-CG2 4.36Å; L88-V152 VanDerWaalsContact O-CG1 3.3Å; L88-V152 WeakPolarHBondContact O-CG1 3.47Å; L88-L156 HydrophobicContact CB-CD2 3.79Å; L88-L156 HydrophobicContact CB-CG 4.14Å; L88-L156 HydrophobicContact CD1-CD2 4.07Å; L88-L156 HydrophobicContact CD1-CG 4.35Å; L88-L159 HydrophobicContact CD1-CD1 3.72Å |
| 89 | I | 97.7 | Very high | 95.1 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 176.7 | -68.1 | 166.6 | 0 | 0 | 0 | 110.5 | K85 E86 A91 K92 Q93 L156 | K85-I89 HydrophobicContact CG-CD1 4.02Å; K85-I89 WeakPolarHBondContact O-CG1 3.44Å; K85-I89 PolarHBondContact O-N 3.08Å; E86-I89 PolarHBondContact O-N 3.08Å; I89-A91 PolarHBondContact O-N 3.15Å; I89-K92 WeakPolarHBondContact O-CB 3.31Å; I89-K92 PolarHBondContact O-N 3.27Å; I89-Q93 PolarHBondContact O-N 2.87Å; I89-Q93 VanDerWaalsContact O-N 3.13Å; I89-L156 HydrophobicContact CG1-CD1 4.31Å; I89-L156 HydrophobicContact CG1-CD2 4.1Å |
| 90 | A | 98.2 | Very high | 95.6 | Very high | 56 Ų | 56 | 66.8 Ų | 66.8 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E86 K92 Q93 V94 | E86-A90 WeakPolarHBondContact O-CB 3.35Å; E86-A90 PolarHBondContact O-N 3.26Å; A90-K92 VanDerWaalsContact C-N 3.33Å; A90-K92 PolarHBondContact O-N 3.4Å; A90-Q93 WeakPolarHBondContact O-CB 3.47Å; A90-Q93 PolarHBondContact O-N 3.45Å; A90-Q93 VanDerWaalsContact O-N 3.13Å; A90-V94 PolarHBondContact O-N 3.22Å; A90-V94 VanDerWaalsContact O-N 3.09Å |
| 91 | A | 98.2 | Very high | 96.1 | Very high | 40 Ų | 40 | 67.4 Ų | 67.4 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | M87 L88 I89 Q93 V94 I95 | M87-A91 WeakPolarHBondContact O-CB 3.33Å; M87-A91 PolarHBondContact O-N 2.87Å; L88-A91 PolarHBondContact O-N 3.34Å; I89-A91 PolarHBondContact O-N 3.15Å; A91-Q93 PolarHBondContact O-N 3.18Å; A91-V94 PolarHBondContact O-N 3.42Å; A91-I95 WeakPolarHBondContact O-CD1 3.28Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å; A91-I95 PolarHBondContact O-N 3.02Å |
| 92 | K | 97.9 | Very high | 96.6 | Very high | 57 Ų | 57 | 67.6 Ų | 67.6 | 25% | 0.248 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.3 | -36.1 | 176.6 | -170.7 | 168.1 | 178.7 | 168.3 | 0 | 112.4 | L88 I89 A90 K96 T149 V152 S153 | L88-K92 WeakPolarHBondContact O-CB 3.48Å; L88-K92 PolarHBondContact O-N 3.33Å; I89-K92 WeakPolarHBondContact O-CB 3.31Å; I89-K92 PolarHBondContact O-N 3.27Å; A90-K92 VanDerWaalsContact C-N 3.33Å; A90-K92 PolarHBondContact O-N 3.4Å; K92-K96 WeakPolarHBondContact O-CG 3.38Å; K92-K96 PolarHBondContact O-N 3Å; K92-T149 HydrophobicContact CG-CG2 4.43Å; K92-V152 HydrophobicContact CB-CG1 4.02Å; K92-V152 HydrophobicContact CD-CG1 4.47Å; K92-S153 PolarHBondContact NZ-OG 2.88Å |
| 93 | Q | 98.1 | Very high | 96.8 | Very high | 95 Ų | 95 | 68 Ų | 68 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.3 | -47.6 | 177.5 | -178.1 | 58.4 | 24.7 | 0 | 0 | 111.7 | I89 A90 A91 I95 K96 E97 | I89-Q93 PolarHBondContact O-N 2.87Å; I89-Q93 VanDerWaalsContact O-N 3.13Å; A90-Q93 WeakPolarHBondContact O-CB 3.47Å; A90-Q93 PolarHBondContact O-N 3.45Å; A90-Q93 VanDerWaalsContact O-N 3.13Å; A91-Q93 PolarHBondContact O-N 3.18Å; Q93-I95 VanDerWaalsContact C-N 3.31Å; Q93-I95 PolarHBondContact O-N 2.89Å; Q93-K96 WeakPolarHBondContact O-CB 3.23Å; Q93-K96 PolarHBondContact O-N 3.39Å; Q93-K96 VanDerWaalsContact O-N 3.13Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.27Å; Q93-E97 PolarHBondContact NE2-OE1 2.81Å; Q93-E97 PolarHBondContact O-N 3.31Å |
| 94 | V | 98.4 | Very high | 97 | Very high | 92 Ų | 92 | 65.9 Ų | 65.9 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.1 | -42.4 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | A90 A91 K96 E97 F98 | A90-V94 PolarHBondContact O-N 3.22Å; A90-V94 VanDerWaalsContact O-N 3.09Å; A91-V94 PolarHBondContact O-N 3.42Å; V94-K96 VanDerWaalsContact C-N 3.32Å; V94-K96 PolarHBondContact O-N 3.41Å; V94-E97 PolarHBondContact O-N 2.91Å; V94-F98 PolarHBondContact O-N 3.46Å |
| 95 | I | 98.3 | Very high | 97.1 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.072 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -43 | 177.3 | -66.9 | 160.5 | 0 | 0 | 0 | 111.1 | A91 Q93 T99 M145 L148 T149 V152 | A91-I95 WeakPolarHBondContact O-CD1 3.28Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å; A91-I95 PolarHBondContact O-N 3.02Å; Q93-I95 VanDerWaalsContact C-N 3.31Å; Q93-I95 PolarHBondContact O-N 2.89Å; I95-T99 WeakPolarHBondContact O-CB 3.45Å; I95-T99 PolarHBondContact O-N 2.93Å; I95-T99 PolarHBondContact O-OG1 3.28Å; I95-M145 HydrophobicContact CG1-SD 4.36Å; I95-M145 HydrophobicContact CG2-CB 3.79Å; I95-M145 HydrophobicContact CG2-CG 4.24Å; I95-M145 HydrophobicContact CG2-SD 4.02Å; I95-L148 HydrophobicContact CD1-CB 4.44Å; I95-L148 HydrophobicContact CD1-CD2 3.53Å; I95-L148 HydrophobicContact CD1-CG 3.65Å; I95-L148 HydrophobicContact CG1-CD2 4.03Å; I95-T149 WeakPolarHBondContact CG2-OG1 3.42Å; I95-V152 HydrophobicContact CD1-CG2 4.45Å |
| 96 | K | 97.8 | Very high | 97.1 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 178.4 | -77.3 | 177.5 | 174.7 | -173 | 0 | 112.2 | K92 Q93 V94 T99 A100 | K92-K96 WeakPolarHBondContact O-CG 3.38Å; K92-K96 PolarHBondContact O-N 3Å; Q93-K96 WeakPolarHBondContact O-CB 3.23Å; Q93-K96 PolarHBondContact O-N 3.39Å; Q93-K96 VanDerWaalsContact O-N 3.13Å; V94-K96 VanDerWaalsContact C-N 3.32Å; V94-K96 PolarHBondContact O-N 3.41Å; K96-T99 PolarHBondContact O-N 3.38Å; K96-A100 VanDerWaalsContact O-CB 3.28Å; K96-A100 WeakPolarHBondContact O-CB 3.36Å; K96-A100 PolarHBondContact O-N 3.26Å |
| 97 | E | 97.9 | Very high | 97 | Very high | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 178.9 | -72 | 169.6 | -163.9 | 0 | 0 | 111.3 | Q93 V94 A100 L101 | Q93-E97 WeakPolarHBondContact CG-OE1 3.27Å; Q93-E97 PolarHBondContact NE2-OE1 2.81Å; Q93-E97 PolarHBondContact O-N 3.31Å; V94-E97 PolarHBondContact O-N 2.91Å; E97-A100 PolarHBondContact O-N 3.22Å; E97-L101 PolarHBondContact O-N 2.97Å; E97-L101 VanDerWaalsContact O-N 3.14Å |
| 98 | F | 98 | Very high | 96.7 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 40% | 0.404 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 177.7 | -178.1 | -126 | 0 | 0 | 0 | 112.4 | V94 A100 L101 L102 I141 M145 | V94-F98 PolarHBondContact O-N 3.46Å; F98-A100 VanDerWaalsContact C-N 3.3Å; F98-A100 PolarHBondContact O-N 3.25Å; F98-L101 PolarHBondContact O-N 3.4Å; F98-L102 HydrophobicContact CD1-CD1 4.39Å; F98-L102 HydrophobicContact CE1-CD1 3.89Å; F98-L102 HydrophobicContact CE2-CD1 4.33Å; F98-L102 HydrophobicContact CE2-CD2 4.39Å; F98-L102 HydrophobicContact CE2-CG 4.3Å; F98-L102 HydrophobicContact CZ-CD1 3.85Å; F98-L102 HydrophobicContact CZ-CD2 4.45Å; F98-L102 HydrophobicContact CZ-CG 4.3Å; F98-L102 PolarHBondContact O-N 2.79Å; F98-L102 VanDerWaalsContact O-N 3.15Å; F98-I141 HydrophobicContact CE1-CG2 3.67Å; F98-I141 HydrophobicContact CZ-CG2 4.25Å; F98-M145 HydrophobicContact CD1-CG 4.33Å; F98-M145 HydrophobicContact CD1-SD 4.42Å |
| 99 | T | 97.8 | Very high | 96.2 | Very high | 20 Ų | 20 | 62.2 Ų | 62.2 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 177.8 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | I95 K96 L102 N103 C142 M145 | I95-T99 WeakPolarHBondContact O-CB 3.45Å; I95-T99 PolarHBondContact O-N 2.93Å; I95-T99 PolarHBondContact O-OG1 3.28Å; K96-T99 PolarHBondContact O-N 3.38Å; T99-L102 PolarHBondContact O-N 2.99Å; T99-N103 VanDerWaalsContact O-CG 3.3Å; T99-N103 PolarHBondContact O-N 3.1Å; T99-N103 PolarHBondContact O-ND2 3.37Å; T99-C142 HydrophobicContact CG2-CB 4.26Å; T99-M145 WeakPolarHBondContact OG1-CB 3.27Å |
| 100 | A | 97.4 | Very high | 95.5 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K96 E97 F98 N103 Q104 | K96-A100 VanDerWaalsContact O-CB 3.28Å; K96-A100 WeakPolarHBondContact O-CB 3.36Å; K96-A100 PolarHBondContact O-N 3.26Å; E97-A100 PolarHBondContact O-N 3.22Å; F98-A100 VanDerWaalsContact C-N 3.3Å; F98-A100 PolarHBondContact O-N 3.25Å; A100-N103 PolarHBondContact O-N 3.06Å; A100-Q104 WeakPolarHBondContact O-CG 3.4Å; A100-Q104 PolarHBondContact O-N 2.92Å |
| 101 | L | 97.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 65.8 Ų | 65.8 | 36% | 0.356 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 174.1 | 176.4 | 65.5 | 0 | 0 | 0 | 111.6 | E97 F98 N103 Q104 L118 I122 | E97-L101 PolarHBondContact O-N 2.97Å; E97-L101 VanDerWaalsContact O-N 3.14Å; F98-L101 PolarHBondContact O-N 3.4Å; L101-N103 VanDerWaalsContact C-N 3.3Å; L101-N103 PolarHBondContact O-N 2.97Å; L101-Q104 WeakPolarHBondContact O-CB 3.22Å; L101-Q104 PolarHBondContact O-N 3.02Å; L101-L118 HydrophobicContact CD1-CD1 4.24Å; L101-L118 HydrophobicContact CD1-CD2 3.71Å; L101-I122 HydrophobicContact CD1-CG2 4.36Å |
| 102 | L | 97.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 179.8 | -66.7 | -179.7 | 0 | 0 | 0 | 112.3 | F98 T99 Q104 D105 L126 I141 | F98-L102 HydrophobicContact CD1-CD1 4.39Å; F98-L102 HydrophobicContact CE1-CD1 3.89Å; F98-L102 HydrophobicContact CE2-CD1 4.33Å; F98-L102 HydrophobicContact CE2-CD2 4.39Å; F98-L102 HydrophobicContact CE2-CG 4.3Å; F98-L102 HydrophobicContact CZ-CD1 3.85Å; F98-L102 HydrophobicContact CZ-CD2 4.45Å; F98-L102 HydrophobicContact CZ-CG 4.3Å; F98-L102 PolarHBondContact O-N 2.79Å; F98-L102 VanDerWaalsContact O-N 3.15Å; T99-L102 PolarHBondContact O-N 2.99Å; L102-Q104 PolarHBondContact O-N 2.82Å; L102-D105 VanDerWaalsContact O-CB 3.27Å; L102-D105 WeakPolarHBondContact O-CB 3.33Å; L102-D105 PolarHBondContact O-N 2.94Å; L102-D105 VanDerWaalsContact O-N 3.1Å; L102-L126 HydrophobicContact CD2-CD2 3.97Å; L102-I141 HydrophobicContact CD1-CB 3.99Å; L102-I141 HydrophobicContact CD1-CG2 3.5Å; L102-I141 VanDerWaalsContact CD1-CG2 3.5Å |
| 103 | N | 95.6 | Very high | 93 | Very high | 104 Ų | 104 | 74.1 Ų | 74.1 | 56% | 0.556 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.4 | 175.9 | -71.1 | -23.4 | 0 | 0 | 0 | 113.6 | T99 A100 L101 R106 | T99-N103 VanDerWaalsContact O-CG 3.3Å; T99-N103 PolarHBondContact O-N 3.1Å; T99-N103 PolarHBondContact O-ND2 3.37Å; A100-N103 PolarHBondContact O-N 3.06Å; L101-N103 VanDerWaalsContact C-N 3.3Å; L101-N103 PolarHBondContact O-N 2.97Å; N103-R106 PolarHBondContact O-NH1 3.4Å |
| 104 | Q | 95.3 | Very high | 92.5 | Very high | 83 Ų | 83 | 74.7 Ų | 74.7 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -3.9 | 172.3 | -69.5 | 176.1 | 23.8 | 0 | 0 | 113 | A100 L101 L102 R106 I117 L118 | A100-Q104 WeakPolarHBondContact O-CG 3.4Å; A100-Q104 PolarHBondContact O-N 2.92Å; L101-Q104 WeakPolarHBondContact O-CB 3.22Å; L101-Q104 PolarHBondContact O-N 3.02Å; L102-Q104 PolarHBondContact O-N 2.82Å; Q104-R106 VanDerWaalsContact C-NH1 3.32Å; Q104-R106 PolarHBondContact O-N 3.36Å; Q104-R106 PolarHBondContact O-NH1 2.59Å; Q104-I117 HydrophobicContact CB-CD1 3.8Å; Q104-I117 HydrophobicContact CB-CG1 4.33Å; Q104-I117 HydrophobicContact CG-CD1 3.95Å; Q104-L118 HydrophobicContact CB-CD1 4.22Å; Q104-L118 HydrophobicContact CB-CD2 3.86Å; Q104-L118 HydrophobicContact CB-CG 4.1Å; Q104-L118 VanDerWaalsContact OE1-CD2 3.31Å |
| 105 | D | 95.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.128 | 38% | 0.384 | C | S | . | . | trans | -59.7 | 125.7 | 175.7 | -173.3 | 10.9 | 0 | 0 | 0 | 110.3 | L102 S107 Q123 L126 S130 | L102-D105 VanDerWaalsContact O-CB 3.27Å; L102-D105 WeakPolarHBondContact O-CB 3.33Å; L102-D105 PolarHBondContact O-N 2.94Å; L102-D105 VanDerWaalsContact O-N 3.1Å; D105-S107 WeakPolarHBondContact OD1-CB 3.37Å; D105-S107 PolarHBondContact OD1-N 2.92Å; D105-S107 PolarHBondContact OD1-OG 3.02Å; D105-S107 PolarHBondContact OD2-OG 3.4Å; D105-Q123 PolarHBondContact OD1-NE2 3.01Å; D105-L126 HydrophobicContact CB-CD1 4.13Å; D105-S130 PolarHBondContact OD2-OG 2.99Å | ||
| 106 | R | 94.7 | Very high | 91.8 | Very high | 70 Ų | 70 | 78.6 Ų | 78.6 | 26% | 0.264 | 41% | 0.409 | S | S | . | . | trans | -114.8 | 36.8 | 174.6 | -62.1 | -57.1 | -176.5 | -93.6 | -0.4 | 111.9 | N103 Q104 E114 I117 | N103-R106 PolarHBondContact O-NH1 3.4Å; Q104-R106 VanDerWaalsContact C-NH1 3.32Å; Q104-R106 PolarHBondContact O-N 3.36Å; Q104-R106 PolarHBondContact O-NH1 2.59Å; R106-E114 HydrophobicContact CB-CB 4.47Å; R106-E114 WeakPolarHBondContact CD-OE2 3.27Å; R106-E114 HydrophobicContact CG-CB 4.41Å; R106-E114 IonicContact CZ-OE2 3.79Å; R106-E114 IonicContact NE-OE2 2.68Å; R106-E114 PolarHBondContact NE-OE2 3.45Å; R106-I117 HydrophobicContact CG-CG1 4.2Å | ||
| 107 | S | 93.4 | Very high | 91.7 | Very high | 9 Ų | 9 | 78 Ų | 78 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | trans | -58.2 | 133.5 | 173.9 | -69.1 | 0 | 0 | 0 | 0 | 111.1 | D105 L109 Q123 T127 | D105-S107 WeakPolarHBondContact OD1-CB 3.37Å; D105-S107 PolarHBondContact OD1-N 2.92Å; D105-S107 PolarHBondContact OD1-OG 3.02Å; D105-S107 PolarHBondContact OD2-OG 3.4Å; S107-L109 VanDerWaalsContact C-N 3.28Å; S107-L109 PolarHBondContact O-N 3.35Å; S107-Q123 PolarHBondContact OG-NE2 3Å; S107-T127 WeakPolarHBondContact OG-CA 3.48Å; S107-T127 WeakPolarHBondContact OG-CB 3.25Å; S107-T127 PolarHBondContact OG-N 2.8Å; S107-T127 PolarHBondContact OG-OG1 3.37Å | ||
| 108 | P | 89.7 | Confident | 91.6 | Very high | 72 Ų | 72 | 73.7 Ų | 73.7 | 47% | 0.468 | 39% | 0.39 | S | S | . | . | trans | -75.2 | 82.5 | -178 | 31.5 | -35.5 | 0 | 0 | 0 | 110.1 | S112 | P108-S112 WeakPolarHBondContact CA-O 3.18Š| ||
| 109 | L | 86.7 | Confident | 91.5 | Very high | 34 Ų | 34 | 76 Ų | 76 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | trans | -95.7 | 141.8 | 171.8 | -64 | 168 | 0 | 0 | 0 | 109.1 | S107 N111 S112 G135 | S107-L109 VanDerWaalsContact C-N 3.28Å; S107-L109 PolarHBondContact O-N 3.35Å; L109-N111 PolarHBondContact O-N 3.4Å; L109-S112 WeakPolarHBondContact O-CB 3.38Å; L109-S112 PolarHBondContact O-N 3.16Å; L109-G135 VanDerWaalsContact CD1-CA 3.45Å | ||
| 110 | C | 82.2 | Confident | 91.4 | Very high | 72 Ų | 72 | 80.3 Ų | 80.3 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -124.7 | -174.1 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | E42 I46 | E42-C110 WeakPolarHBondContact OE1-CA 3.47Å; E42-C110 PolarHBondContact OE1-N 3.06Å; E42-C110 PolarHBondContact OE1-SG 3.42Å; E42-C110 PolarHBondContact OE2-N 3.28Å; E42-C110 VanDerWaalsContact OE2-N 3.16Å; I46-C110 WeakPolarHBondContact CD1-SG 3.39Å |
| 111 | N | 80.2 | Confident | 91.4 | Very high | 151 Ų | 151 | 83.4 Ų | 83.4 | 81% | 0.807 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 9.3 | 176.7 | -65.5 | -32.3 | 0 | 0 | 0 | 112.4 | L109 R113 | L109-N111 PolarHBondContact O-N 3.4Å; N111-R113 PolarHBondContact O-N 3.2Å |
| 112 | S | 79.7 | Confident | 91.4 | Very high | 45 Ų | 45 | 83.8 Ų | 83.8 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | trans | -67.4 | 125.7 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | P108 L109 | P108-S112 WeakPolarHBondContact CA-O 3.18Å; L109-S112 WeakPolarHBondContact O-CB 3.38Å; L109-S112 PolarHBondContact O-N 3.16Å | ||
| 113 | R | 81.5 | Confident | 91.3 | Very high | 227 Ų | 227 | 83.9 Ų | 83.9 | 86% | 0.857 | 44% | 0.442 | S | S | * | . | trans | -133.5 | 31.9 | -179.5 | -66.1 | -176.1 | 177.7 | 178 | 0.1 | 111.1 | N111 | N111-R113 PolarHBondContact O-N 3.2Š| ||
| 114 | E | 89 | Confident | 91.4 | Very high | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 139.1 | 176.3 | -69.3 | -175 | -159.4 | 0 | 0 | 110.3 | R106 | R106-E114 HydrophobicContact CB-CB 4.47Å; R106-E114 WeakPolarHBondContact CD-OE2 3.27Å; R106-E114 HydrophobicContact CG-CB 4.41Å; R106-E114 IonicContact CZ-OE2 3.79Å; R106-E114 IonicContact NE-OE2 2.68Å; R106-E114 PolarHBondContact NE-OE2 3.45Å |
| 115 | P | 90.3 | Very high | 91.5 | Very high | 99 Ų | 99 | 90.3 Ų | 90.3 | 64% | 0.643 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 141.5 | 176.3 | 27 | -33.3 | 0 | 0 | 0 | 110.1 | I117 | P115-I117 PolarHBondContact O-N 3.26Š|
| 116 | P | 91.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 90.3 Ų | 90.3 | 58% | 0.578 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 135.3 | 178.1 | 28.8 | -35.3 | 0 | 0 | 0 | 110.8 | Q123 | P116-Q123 HydrophobicContact CB-CG 3.84Š|
| 117 | I | 95.3 | Very high | 91.6 | Very high | 102 Ų | 102 | 88.3 Ų | 88.3 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | trans | -105.4 | -21.3 | 177 | 60.7 | 174.9 | 0 | 0 | 0 | 112.7 | Q104 R106 P115 | Q104-I117 HydrophobicContact CB-CD1 3.8Å; Q104-I117 HydrophobicContact CB-CG1 4.33Å; Q104-I117 HydrophobicContact CG-CD1 3.95Å; R106-I117 HydrophobicContact CG-CG1 4.2Å; P115-I117 PolarHBondContact O-N 3.26Å | ||
| 118 | L | 95.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 93.9 Ų | 93.9 | 12% | 0.115 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -82.1 | 159.3 | 177.2 | -64.9 | 174.4 | 0 | 0 | 0 | 110.8 | L101 Q104 I122 Q123 L126 | L101-L118 HydrophobicContact CD1-CD1 4.24Å; L101-L118 HydrophobicContact CD1-CD2 3.71Å; Q104-L118 HydrophobicContact CB-CD1 4.22Å; Q104-L118 HydrophobicContact CB-CD2 3.86Å; Q104-L118 HydrophobicContact CB-CG 4.1Å; Q104-L118 VanDerWaalsContact OE1-CD2 3.31Å; L118-I122 HydrophobicContact CD1-CG2 4.27Å; L118-Q123 HydrophobicContact CB-CB 4.25Å; L118-L126 HydrophobicContact CD1-CD1 3.44Å; L118-L126 VanDerWaalsContact CD1-CD1 3.44Å |
| 119 | E | 96.5 | Very high | 92 | Very high | 140 Ų | 140 | 93.9 Ų | 93.9 | 65% | 0.654 | 47% | 0.474 | S | S | * | . | trans | -54.7 | 141.3 | 171.8 | -66.4 | -170.9 | 165.3 | 0 | 0 | 111.1 | N121 I122 Q123 | E119-N121 PolarHBondContact O-N 3.09Å; E119-N121 VanDerWaalsContact O-N 3.08Å; E119-I122 HydrophobicContact CB-CG1 4.46Å; E119-I122 PolarHBondContact O-N 3.4Å; E119-Q123 PolarHBondContact O-N 2.99Å | ||
| 120 | P | 95.5 | Very high | 92.4 | Very high | 110 Ų | 110 | 92.3 Ų | 92.3 | 71% | 0.714 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -54.2 | -36.3 | -174.8 | -28.9 | 34.8 | 0 | 0 | 0 | 114.3 | R124 | P120-R124 WeakPolarHBondContact O-CB 3.45Å; P120-R124 PolarHBondContact O-N 2.99Å |
| 121 | N | 96.9 | Very high | 92.9 | Very high | 113 Ų | 113 | 93.6 Ų | 93.6 | 60% | 0.604 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.5 | -45.6 | 177.9 | -71.4 | -31.4 | 0 | 0 | 0 | 111.4 | E119 H125 | E119-N121 PolarHBondContact O-N 3.09Å; E119-N121 VanDerWaalsContact O-N 3.08Å; N121-H125 PolarHBondContact O-N 2.89Å; N121-H125 PolarHBondContact O-ND1 3.27Å |
| 122 | I | 97.4 | Very high | 93.5 | Very high | 75 Ų | 75 | 90 Ų | 90 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.5 | -48.3 | 178.5 | -59.7 | -57.6 | 0 | 0 | 0 | 110.5 | L101 L118 E119 R124 H125 L126 | L101-I122 HydrophobicContact CD1-CG2 4.36Å; L118-I122 HydrophobicContact CD1-CG2 4.27Å; E119-I122 HydrophobicContact CB-CG1 4.46Å; E119-I122 PolarHBondContact O-N 3.4Å; I122-R124 VanDerWaalsContact C-N 3.26Å; I122-R124 PolarHBondContact O-N 3.37Å; I122-H125 PolarHBondContact O-N 3.27Å; I122-H125 VanDerWaalsContact O-N 3.08Å; I122-L126 HydrophobicContact CG2-CD1 4.01Å; I122-L126 HydrophobicContact CG2-CG 4.41Å; I122-L126 PolarHBondContact O-N 3.49Å; I122-L126 VanDerWaalsContact O-N 3.08Å |
| 123 | Q | 96.5 | Very high | 94.2 | Very high | 14 Ų | 14 | 88.1 Ų | 88.1 | 7% | 0.065 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -56.9 | -40.9 | 179.3 | -174.8 | 59.9 | 64 | 0 | 0 | 111.7 | D105 S107 P116 L118 E119 H125 L126 T127 | D105-Q123 PolarHBondContact OD1-NE2 3.01Å; S107-Q123 PolarHBondContact OG-NE2 3Å; P116-Q123 HydrophobicContact CB-CG 3.84Å; L118-Q123 HydrophobicContact CB-CB 4.25Å; E119-Q123 PolarHBondContact O-N 2.99Å; Q123-H125 VanDerWaalsContact C-N 3.34Å; Q123-H125 PolarHBondContact O-N 3.42Å; Q123-L126 PolarHBondContact O-N 2.93Å; Q123-T127 PolarHBondContact NE2-OG1 3.28Å; Q123-T127 WeakPolarHBondContact O-CB 3.29Å; Q123-T127 PolarHBondContact O-N 3.25Å; Q123-T127 PolarHBondContact O-OG1 2.82Å |
| 124 | R | 96.1 | Very high | 94.8 | Very high | 190 Ų | 190 | 79.9 Ų | 79.9 | 72% | 0.717 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.6 | -42.9 | 176.9 | 178.3 | -178.9 | 174.9 | -177.9 | -1.3 | 112.7 | P120 I122 H128 | P120-R124 WeakPolarHBondContact O-CB 3.45Å; P120-R124 PolarHBondContact O-N 2.99Å; I122-R124 VanDerWaalsContact C-N 3.26Å; I122-R124 PolarHBondContact O-N 3.37Å; R124-H128 WeakPolarHBondContact O-CB 3.44Å; R124-H128 PolarHBondContact O-N 2.93Å |
| 125 | H | 97.2 | Very high | 95.1 | Very high | 133 Ų | 133 | 75 Ų | 75 | 62% | 0.616 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -70 | -42.5 | 180 | -69.4 | 89.9 | 0 | 0 | 0 | 111.4 | N121 I122 Q123 H128 F129 | N121-H125 PolarHBondContact O-N 2.89Å; N121-H125 PolarHBondContact O-ND1 3.27Å; I122-H125 PolarHBondContact O-N 3.27Å; I122-H125 VanDerWaalsContact O-N 3.08Å; Q123-H125 VanDerWaalsContact C-N 3.34Å; Q123-H125 PolarHBondContact O-N 3.42Å; H125-H128 PolarHBondContact O-N 2.87Å; H125-F129 PolarHBondContact O-N 3.1Å |
| 126 | L | 97 | Very high | 95.4 | Very high | 24 Ų | 24 | 72.2 Ų | 72.2 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.3 | -65.6 | 176.5 | 0 | 0 | 0 | 111.3 | L102 D105 L118 I122 Q123 H128 F129 S130 | L102-L126 HydrophobicContact CD2-CD2 3.97Å; D105-L126 HydrophobicContact CB-CD1 4.13Å; L118-L126 HydrophobicContact CD1-CD1 3.44Å; L118-L126 VanDerWaalsContact CD1-CD1 3.44Å; I122-L126 HydrophobicContact CG2-CD1 4.01Å; I122-L126 HydrophobicContact CG2-CG 4.41Å; I122-L126 PolarHBondContact O-N 3.49Å; I122-L126 VanDerWaalsContact O-N 3.08Å; Q123-L126 PolarHBondContact O-N 2.93Å; L126-H128 PolarHBondContact O-N 3.39Å; L126-F129 WeakPolarHBondContact O-CB 3.29Å; L126-F129 PolarHBondContact O-N 3.21Å; L126-F129 VanDerWaalsContact O-N 3.16Å; L126-S130 WeakPolarHBondContact O-CB 3.39Å; L126-S130 PolarHBondContact O-N 2.92Å; L126-S130 PolarHBondContact O-OG 2.89Å |
| 127 | T | 95.5 | Very high | 95.6 | Very high | 27 Ų | 27 | 68.2 Ų | 68.2 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.5 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | S107 Q123 F129 S130 L131 | S107-T127 WeakPolarHBondContact OG-CA 3.48Å; S107-T127 WeakPolarHBondContact OG-CB 3.25Å; S107-T127 PolarHBondContact OG-N 2.8Å; S107-T127 PolarHBondContact OG-OG1 3.37Å; Q123-T127 PolarHBondContact NE2-OG1 3.28Å; Q123-T127 WeakPolarHBondContact O-CB 3.29Å; Q123-T127 PolarHBondContact O-N 3.25Å; Q123-T127 PolarHBondContact O-OG1 2.82Å; T127-F129 VanDerWaalsContact C-N 3.3Å; T127-F129 PolarHBondContact O-N 2.77Å; T127-S130 PolarHBondContact O-N 3.47Å; T127-L131 HydrophobicContact CG2-CD1 3.94Å; T127-L131 HydrophobicContact CG2-CG 4.23Å; T127-L131 WeakPolarHBondContact O-CB 3.47Å; T127-L131 VanDerWaalsContact O-CG 3.24Å; T127-L131 WeakPolarHBondContact O-CG 3.46Å; T127-L131 PolarHBondContact O-N 2.85Å |
| 128 | H | 95 | Very high | 95.7 | Very high | 126 Ų | 126 | 63.7 Ų | 63.7 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.5 | -43.9 | 173.3 | 180 | -96.7 | 0 | 0 | 0 | 111.8 | R124 H125 L126 L132 | R124-H128 WeakPolarHBondContact O-CB 3.44Å; R124-H128 PolarHBondContact O-N 2.93Å; H125-H128 PolarHBondContact O-N 2.87Å; L126-H128 PolarHBondContact O-N 3.39Å; H128-L132 VanDerWaalsContact O-CB 3.29Å; H128-L132 WeakPolarHBondContact O-CB 3.04Å; H128-L132 PolarHBondContact O-N 3.03Å |
| 129 | F | 95.7 | Very high | 95.7 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 32% | 0.316 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 177.2 | 178.4 | -111.8 | 0 | 0 | 0 | 112.8 | H125 L126 T127 L131 L132 T133 G137 I141 | H125-F129 PolarHBondContact O-N 3.1Å; L126-F129 WeakPolarHBondContact O-CB 3.29Å; L126-F129 PolarHBondContact O-N 3.21Å; L126-F129 VanDerWaalsContact O-N 3.16Å; T127-F129 VanDerWaalsContact C-N 3.3Å; T127-F129 PolarHBondContact O-N 2.77Å; F129-L131 PolarHBondContact O-N 3.03Å; F129-L132 PolarHBondContact O-N 2.82Å; F129-T133 HydrophobicContact CD2-CG2 3.98Å; F129-T133 HydrophobicContact CE2-CG2 3.64Å; F129-T133 HydrophobicContact CZ-CG2 3.93Å; F129-T133 WeakPolarHBondContact O-CB 3.43Å; F129-T133 WeakPolarHBondContact O-CG2 3.09Å; F129-T133 PolarHBondContact O-N 3.26Å; F129-T133 PolarHBondContact O-OG1 2.83Å; F129-G137 VanDerWaalsContact CE1-C 3.47Å; F129-I141 HydrophobicContact CE1-CD1 3.94Å; F129-I141 HydrophobicContact CZ-CD1 3.87Å |
| 130 | S | 95 | Very high | 95.8 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.8 | -71.9 | 0 | 0 | 0 | 0 | 111.5 | D105 L126 T127 T133 H134 G135 | D105-S130 PolarHBondContact OD2-OG 2.99Å; L126-S130 WeakPolarHBondContact O-CB 3.39Å; L126-S130 PolarHBondContact O-N 2.92Å; L126-S130 PolarHBondContact O-OG 2.89Å; T127-S130 PolarHBondContact O-N 3.47Å; S130-T133 PolarHBondContact O-N 3.13Å; S130-T133 PolarHBondContact O-OG1 3.42Å; S130-H134 PolarHBondContact O-N 3.48Å; S130-G135 PolarHBondContact O-N 3.39Å |
| 131 | L | 93.3 | Very high | 96 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 52% | 0.518 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 174.8 | -68.5 | 174.4 | 0 | 0 | 0 | 112.6 | T127 F129 T133 H134 | T127-L131 HydrophobicContact CG2-CD1 3.94Å; T127-L131 HydrophobicContact CG2-CG 4.23Å; T127-L131 WeakPolarHBondContact O-CB 3.47Å; T127-L131 VanDerWaalsContact O-CG 3.24Å; T127-L131 WeakPolarHBondContact O-CG 3.46Å; T127-L131 PolarHBondContact O-N 2.85Å; F129-L131 PolarHBondContact O-N 3.03Å; L131-T133 VanDerWaalsContact C-N 3.28Å; L131-T133 PolarHBondContact O-N 3.05Å; L131-H134 PolarHBondContact O-N 3.47Å |
| 132 | L | 93.4 | Very high | 96 | Very high | 74 Ų | 74 | 51.9 Ų | 51.9 | 39% | 0.387 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.8 | -31 | 179.1 | -175.8 | 141.1 | 0 | 0 | 0 | 112.6 | H128 F129 | H128-L132 VanDerWaalsContact O-CB 3.29Å; H128-L132 WeakPolarHBondContact O-CB 3.04Å; H128-L132 PolarHBondContact O-N 3.03Å; F129-L132 PolarHBondContact O-N 2.82Å |
| 133 | T | 94.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 5.8 | -179.5 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | L37 F129 S130 L131 G135 F136 G137 | L37-T133 HydrophobicContact CD1-CG2 4.05Å; F129-T133 HydrophobicContact CD2-CG2 3.98Å; F129-T133 HydrophobicContact CE2-CG2 3.64Å; F129-T133 HydrophobicContact CZ-CG2 3.93Å; F129-T133 WeakPolarHBondContact O-CB 3.43Å; F129-T133 WeakPolarHBondContact O-CG2 3.09Å; F129-T133 PolarHBondContact O-N 3.26Å; F129-T133 PolarHBondContact O-OG1 2.83Å; S130-T133 PolarHBondContact O-N 3.13Å; S130-T133 PolarHBondContact O-OG1 3.42Å; L131-T133 VanDerWaalsContact C-N 3.28Å; L131-T133 PolarHBondContact O-N 3.05Å; T133-G135 PolarHBondContact O-N 3.18Å; T133-F136 WeakPolarHBondContact O-CB 3.24Å; T133-F136 PolarHBondContact O-N 2.86Å; T133-G137 PolarHBondContact OG1-N 2.98Å; T133-G137 VanDerWaalsContact OG1-N 3.13Å |
| 134 | H | 94 | Very high | 96.1 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 25% | 0.25 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 32.3 | -176.8 | -68.8 | -86.2 | 0 | 0 | 0 | 113.4 | L37 A45 S130 L131 F136 | L37-H134 PolarHBondContact O-CD2 3.44Å; L37-H134 VanDerWaalsContact O-CD2 3.26Å; A45-H134 HydrophobicContact CB-CB 3.47Å; A45-H134 VanDerWaalsContact CB-CB 3.47Å; A45-H134 VanDerWaalsContact CB-O 3.22Å; A45-H134 WeakPolarHBondContact CB-O 3.4Å; S130-H134 PolarHBondContact O-N 3.48Å; L131-H134 PolarHBondContact O-N 3.47Å; H134-F136 VanDerWaalsContact C-N 3.31Å; H134-F136 PolarHBondContact O-N 3.46Å |
| 135 | G | 94.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -2.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L109 S130 T133 P139 | L109-G135 VanDerWaalsContact CD1-CA 3.45Å; S130-G135 PolarHBondContact O-N 3.39Å; T133-G135 PolarHBondContact O-N 3.18Å; G135-P139 WeakPolarHBondContact O-CD 3.39Å; G135-P139 WeakPolarHBondContact O-CG 3.22Å |
| 136 | F | 96.5 | Very high | 96.3 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 18% | 0.18 | 22% | 0.223 | C | C | . | . | trans | -70.6 | -39.5 | 177.5 | 169.2 | -100.3 | 0 | 0 | 0 | 113.1 | L37 A45 L48 A49 F52 T133 H134 P139 A140 | L37-F136 HydrophobicContact CD2-CD1 4.44Å; A45-F136 HydrophobicContact CB-CB 4.1Å; L48-F136 HydrophobicContact CB-CD2 4.19Å; L48-F136 HydrophobicContact CB-CE2 4.42Å; L48-F136 HydrophobicContact CD2-CD2 4.02Å; L48-F136 HydrophobicContact CD2-CE2 3.97Å; L48-F136 HydrophobicContact CG-CD2 3.9Å; L48-F136 HydrophobicContact CG-CE2 3.71Å; A49-F136 HydrophobicContact CB-CD2 3.71Å; A49-F136 HydrophobicContact CB-CE2 4.35Å; F52-F136 HydrophobicContact CB-CE2 4.31Å; T133-F136 WeakPolarHBondContact O-CB 3.24Å; T133-F136 PolarHBondContact O-N 2.86Å; H134-F136 VanDerWaalsContact C-N 3.31Å; H134-F136 PolarHBondContact O-N 3.46Å; F136-P139 WeakPolarHBondContact O-CD 3.43Å; F136-A140 HydrophobicContact CD1-CB 4.11Å; F136-A140 HydrophobicContact CD2-CB 4.23Å; F136-A140 HydrophobicContact CE1-CB 3.61Å; F136-A140 HydrophobicContact CE2-CB 3.74Å; F136-A140 HydrophobicContact CG-CB 4.39Å; F136-A140 HydrophobicContact CZ-CB 3.4Å; F136-A140 VanDerWaalsContact CZ-CB 3.4Å; F136-A140 VanDerWaalsContact O-CB 3.25Å; F136-A140 WeakPolarHBondContact O-CB 3.33Å; F136-A140 PolarHBondContact O-N 3.49Å | ||
| 137 | G | 96.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -56.5 | -162.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F129 T133 A140 I141 | F129-G137 VanDerWaalsContact CE1-C 3.47Å; T133-G137 PolarHBondContact OG1-N 2.98Å; T133-G137 VanDerWaalsContact OG1-N 3.13Å; G137-A140 PolarHBondContact O-N 3.3Å; G137-I141 WeakPolarHBondContact O-CG1 3.5Å; G137-I141 PolarHBondContact O-N 2.94Å |
| 138 | S | 96.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -48 | -175.6 | -53.2 | 0 | 0 | 0 | 0 | 112 | A140 I141 C142 | S138-A140 VanDerWaalsContact C-N 3.33Å; S138-A140 PolarHBondContact O-N 3.28Å; S138-I141 PolarHBondContact O-N 3.28Å; S138-C142 PolarHBondContact O-N 3Å; S138-C142 PolarHBondContact O-SG 2.63Å; S138-C142 VanDerWaalsContact O-SG 3.4Å |
| 139 | P | 97.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 36.7 Ų | 36.7 | 38% | 0.383 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 174.5 | -22.4 | 33.1 | 0 | 0 | 0 | 113.5 | A49 G135 F136 I141 C142 S143 | A49-P139 HydrophobicContact CB-CB 4.05Å; G135-P139 WeakPolarHBondContact O-CD 3.39Å; G135-P139 WeakPolarHBondContact O-CG 3.22Å; F136-P139 WeakPolarHBondContact O-CD 3.43Å; P139-I141 PolarHBondContact O-N 3.44Å; P139-C142 PolarHBondContact O-N 3.17Å; P139-S143 PolarHBondContact O-N 3.42Å; P139-S143 PolarHBondContact O-OG 3.37Å; P139-S143 VanDerWaalsContact O-OG 3.09Å |
| 140 | A | 98 | Very high | 96.7 | Very high | 10 Ų | 10 | 36 Ų | 36 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F52 F136 G137 S138 S143 A144 | F52-A140 HydrophobicContact CD1-CB 3.96Å; F52-A140 HydrophobicContact CE1-CB 4.17Å; F52-A140 WeakPolarHBondContact CE1-O 3.48Å; F136-A140 HydrophobicContact CD1-CB 4.11Å; F136-A140 HydrophobicContact CD2-CB 4.23Å; F136-A140 HydrophobicContact CE1-CB 3.61Å; F136-A140 HydrophobicContact CE2-CB 3.74Å; F136-A140 HydrophobicContact CG-CB 4.39Å; F136-A140 HydrophobicContact CZ-CB 3.4Å; F136-A140 VanDerWaalsContact CZ-CB 3.4Å; F136-A140 VanDerWaalsContact O-CB 3.25Å; F136-A140 WeakPolarHBondContact O-CB 3.33Å; F136-A140 PolarHBondContact O-N 3.49Å; G137-A140 PolarHBondContact O-N 3.3Å; S138-A140 VanDerWaalsContact C-N 3.33Å; S138-A140 PolarHBondContact O-N 3.28Å; A140-S143 PolarHBondContact O-N 2.99Å; A140-A144 PolarHBondContact O-N 3.31Å |
| 141 | I | 98.3 | Very high | 96.9 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 28% | 0.277 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 173.6 | -66.1 | 167.7 | 0 | 0 | 0 | 110.2 | F98 L102 F129 G137 S138 P139 S143 A144 M145 | F98-I141 HydrophobicContact CE1-CG2 3.67Å; F98-I141 HydrophobicContact CZ-CG2 4.25Å; L102-I141 HydrophobicContact CD1-CB 3.99Å; L102-I141 HydrophobicContact CD1-CG2 3.5Å; L102-I141 VanDerWaalsContact CD1-CG2 3.5Å; F129-I141 HydrophobicContact CE1-CD1 3.94Å; F129-I141 HydrophobicContact CZ-CD1 3.87Å; G137-I141 WeakPolarHBondContact O-CG1 3.5Å; G137-I141 PolarHBondContact O-N 2.94Å; S138-I141 PolarHBondContact O-N 3.28Å; P139-I141 PolarHBondContact O-N 3.44Å; I141-S143 VanDerWaalsContact C-N 3.32Å; I141-S143 PolarHBondContact O-N 3.39Å; I141-A144 PolarHBondContact O-N 2.91Å; I141-M145 HydrophobicContact CG2-CG 4.28Å; I141-M145 WeakPolarHBondContact O-CB 3.49Å; I141-M145 VanDerWaalsContact O-CG 3.31Å; I141-M145 WeakPolarHBondContact O-CG 3.46Å; I141-M145 PolarHBondContact O-N 3.22Å |
| 142 | C | 98.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 33 Ų | 33 | 10% | 0.095 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -43.3 | 176.4 | -69 | 0 | 0 | 0 | 0 | 112 | T99 S138 P139 M145 S146 | T99-C142 HydrophobicContact CG2-CB 4.26Å; S138-C142 PolarHBondContact O-N 3Å; S138-C142 PolarHBondContact O-SG 2.63Å; S138-C142 VanDerWaalsContact O-SG 3.4Å; P139-C142 PolarHBondContact O-N 3.17Å; C142-M145 PolarHBondContact O-N 2.66Å; C142-S146 PolarHBondContact O-N 3.18Å; C142-S146 PolarHBondContact O-OG 3.27Å |
| 143 | S | 98.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 175.7 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | G53 P139 A140 I141 M145 S146 A147 | G53-S143 WeakPolarHBondContact CA-OG 3.2Å; P139-S143 PolarHBondContact O-N 3.42Å; P139-S143 PolarHBondContact O-OG 3.37Å; P139-S143 VanDerWaalsContact O-OG 3.09Å; A140-S143 PolarHBondContact O-N 2.99Å; I141-S143 VanDerWaalsContact C-N 3.32Å; I141-S143 PolarHBondContact O-N 3.39Å; S143-M145 VanDerWaalsContact C-N 3.32Å; S143-M145 PolarHBondContact O-N 3.18Å; S143-S146 WeakPolarHBondContact O-CB 3.43Å; S143-S146 PolarHBondContact O-N 3.36Å; S143-A147 PolarHBondContact O-N 3.16Å |
| 144 | A | 98.3 | Very high | 97.5 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 31% | 0.306 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A140 I141 A147 L148 | A140-A144 PolarHBondContact O-N 3.31Å; I141-A144 PolarHBondContact O-N 2.91Å; A144-A147 PolarHBondContact O-N 3.45Å; A144-L148 WeakPolarHBondContact O-CB 3.28Å; A144-L148 PolarHBondContact O-N 3.36Å |
| 145 | M | 98.2 | Very high | 97.6 | Very high | 40 Ų | 40 | 29.7 Ų | 29.7 | 20% | 0.197 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.2 | -34.9 | 174.6 | -72.4 | -53.5 | 98.4 | 0 | 0 | 112.5 | I95 F98 T99 I141 C142 S143 L148 T149 | I95-M145 HydrophobicContact CG1-SD 4.36Å; I95-M145 HydrophobicContact CG2-CB 3.79Å; I95-M145 HydrophobicContact CG2-CG 4.24Å; I95-M145 HydrophobicContact CG2-SD 4.02Å; F98-M145 HydrophobicContact CD1-CG 4.33Å; F98-M145 HydrophobicContact CD1-SD 4.42Å; T99-M145 WeakPolarHBondContact OG1-CB 3.27Å; I141-M145 HydrophobicContact CG2-CG 4.28Å; I141-M145 WeakPolarHBondContact O-CB 3.49Å; I141-M145 VanDerWaalsContact O-CG 3.31Å; I141-M145 WeakPolarHBondContact O-CG 3.46Å; I141-M145 PolarHBondContact O-N 3.22Å; C142-M145 PolarHBondContact O-N 2.66Å; S143-M145 VanDerWaalsContact C-N 3.32Å; S143-M145 PolarHBondContact O-N 3.18Å; M145-L148 HydrophobicContact CE-CD2 4.16Å; M145-L148 PolarHBondContact O-N 3.08Å; M145-L148 HydrophobicContact SD-CD2 4.27Å; M145-T149 WeakPolarHBondContact O-CB 3.22Å; M145-T149 PolarHBondContact O-N 3.03Å; M145-T149 PolarHBondContact O-OG1 2.85Å |
| 146 | S | 97.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 30.6 Ų | 30.6 | 48% | 0.476 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.1 | -46 | 171.5 | -67 | 0 | 0 | 0 | 0 | 111.6 | C142 S143 L148 T149 S150 | C142-S146 PolarHBondContact O-N 3.18Å; C142-S146 PolarHBondContact O-OG 3.27Å; S143-S146 WeakPolarHBondContact O-CB 3.43Å; S143-S146 PolarHBondContact O-N 3.36Å; S146-L148 VanDerWaalsContact C-N 3.33Å; S146-L148 PolarHBondContact O-N 3.35Å; S146-T149 WeakPolarHBondContact O-CB 3.4Å; S146-T149 PolarHBondContact O-N 2.9Å; S146-T149 VanDerWaalsContact O-N 3.13Å; S146-S150 PolarHBondContact O-N 2.94Å; S146-S150 PolarHBondContact O-OG 3.27Å |
| 147 | A | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | C56 F60 S143 A144 T149 S150 Y151 | C56-A147 HydrophobicContact CB-CB 4.19Å; F60-A147 HydrophobicContact CD1-CB 3.76Å; F60-A147 HydrophobicContact CE1-CB 4.2Å; F60-A147 HydrophobicContact CG-CB 4.19Å; S143-A147 PolarHBondContact O-N 3.16Å; A144-A147 PolarHBondContact O-N 3.45Å; A147-T149 VanDerWaalsContact C-N 3.35Å; A147-T149 PolarHBondContact O-N 3.09Å; A147-S150 WeakPolarHBondContact O-CB 3.21Å; A147-S150 PolarHBondContact O-N 3Å; A147-Y151 PolarHBondContact O-N 3.09Å |
| 148 | L | 98.2 | Very high | 97.5 | Very high | 66 Ų | 66 | 34.4 Ų | 34.4 | 35% | 0.346 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.7 | -39.6 | 174.4 | -177.2 | 60.6 | 0 | 0 | 0 | 112 | I95 A144 M145 S146 S150 Y151 V152 | I95-L148 HydrophobicContact CD1-CB 4.44Å; I95-L148 HydrophobicContact CD1-CD2 3.53Å; I95-L148 HydrophobicContact CD1-CG 3.65Å; I95-L148 HydrophobicContact CG1-CD2 4.03Å; A144-L148 WeakPolarHBondContact O-CB 3.28Å; A144-L148 PolarHBondContact O-N 3.36Å; M145-L148 HydrophobicContact CE-CD2 4.16Å; M145-L148 PolarHBondContact O-N 3.08Å; M145-L148 HydrophobicContact SD-CD2 4.27Å; S146-L148 VanDerWaalsContact C-N 3.33Å; S146-L148 PolarHBondContact O-N 3.35Å; L148-S150 VanDerWaalsContact C-N 3.32Å; L148-S150 PolarHBondContact O-N 3.16Å; L148-Y151 HydrophobicContact CD1-CD1 3.91Å; L148-Y151 WeakPolarHBondContact O-CB 3.28Å; L148-Y151 PolarHBondContact O-N 3.49Å; L148-V152 WeakPolarHBondContact O-CG2 2.99Å; L148-V152 PolarHBondContact O-N 3.47Å |
| 149 | T | 98.2 | Very high | 97.3 | Very high | 30 Ų | 30 | 34.2 Ų | 34.2 | 18% | 0.184 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 175.8 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | K92 I95 M145 S146 A147 V152 S153 | K92-T149 HydrophobicContact CG-CG2 4.43Å; I95-T149 WeakPolarHBondContact CG2-OG1 3.42Å; M145-T149 WeakPolarHBondContact O-CB 3.22Å; M145-T149 PolarHBondContact O-N 3.03Å; M145-T149 PolarHBondContact O-OG1 2.85Å; S146-T149 WeakPolarHBondContact O-CB 3.4Å; S146-T149 PolarHBondContact O-N 2.9Å; S146-T149 VanDerWaalsContact O-N 3.13Å; A147-T149 VanDerWaalsContact C-N 3.35Å; A147-T149 PolarHBondContact O-N 3.09Å; T149-V152 PolarHBondContact O-N 3.26Å; T149-S153 WeakPolarHBondContact O-CB 3.25Å; T149-S153 PolarHBondContact O-N 2.97Å; T149-S153 PolarHBondContact O-OG 2.99Å |
| 150 | S | 98.3 | Very high | 97 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 41% | 0.406 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.8 | -48 | 173.2 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | S62 S146 A147 L148 V152 S153 E154 | S62-S150 VanDerWaalsContact OG-CB 3.23Å; S62-S150 WeakPolarHBondContact OG-CB 3.47Å; S146-S150 PolarHBondContact O-N 2.94Å; S146-S150 PolarHBondContact O-OG 3.27Å; A147-S150 WeakPolarHBondContact O-CB 3.21Å; A147-S150 PolarHBondContact O-N 3Å; L148-S150 VanDerWaalsContact C-N 3.32Å; L148-S150 PolarHBondContact O-N 3.16Å; S150-V152 PolarHBondContact O-N 2.99Å; S150-S153 PolarHBondContact O-N 3.45Å; S150-E154 WeakPolarHBondContact O-CG 3.32Å; S150-E154 PolarHBondContact O-N 3.26Å |
| 151 | Y | 98.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54 | -51.5 | 172.6 | 160.8 | -93.6 | 0 | 0 | 0 | 112.1 | V65 A66 V69 A147 L148 S153 E154 S155 | V65-Y151 HydrophobicContact CB-CD2 4.17Å; V65-Y151 HydrophobicContact CG1-CD2 3.77Å; V65-Y151 HydrophobicContact CG1-CE2 3.81Å; A66-Y151 VanDerWaalsContact CA-CE2 3.46Å; A66-Y151 HydrophobicContact CB-CD2 3.83Å; A66-Y151 HydrophobicContact CB-CE2 4.05Å; V69-Y151 HydrophobicContact CB-CE2 4.4Å; V69-Y151 WeakPolarHBondContact CG1-OH 3.49Å; V69-Y151 HydrophobicContact CG2-CE2 4.28Å; A147-Y151 PolarHBondContact O-N 3.09Å; L148-Y151 HydrophobicContact CD1-CD1 3.91Å; L148-Y151 WeakPolarHBondContact O-CB 3.28Å; L148-Y151 PolarHBondContact O-N 3.49Å; Y151-S153 VanDerWaalsContact C-N 3.27Å; Y151-S153 PolarHBondContact O-N 3.03Å; Y151-E154 PolarHBondContact O-N 3.19Å; Y151-E154 VanDerWaalsContact O-N 3.16Å; Y151-S155 PolarHBondContact O-N 3.29Å; Y151-S155 PolarHBondContact O-OG 2.74Å |
| 152 | V | 98.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -40 | 179.6 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L88 K92 I95 L148 T149 S150 S155 L156 | L88-V152 HydrophobicContact CB-CG1 4.09Å; L88-V152 HydrophobicContact CD2-CG1 4.16Å; L88-V152 HydrophobicContact CD2-CG2 4.36Å; L88-V152 VanDerWaalsContact O-CG1 3.3Å; L88-V152 WeakPolarHBondContact O-CG1 3.47Å; K92-V152 HydrophobicContact CB-CG1 4.02Å; K92-V152 HydrophobicContact CD-CG1 4.47Å; I95-V152 HydrophobicContact CD1-CG2 4.45Å; L148-V152 WeakPolarHBondContact O-CG2 2.99Å; L148-V152 PolarHBondContact O-N 3.47Å; T149-V152 PolarHBondContact O-N 3.26Å; S150-V152 PolarHBondContact O-N 2.99Å; V152-S155 PolarHBondContact O-N 2.89Å; V152-L156 HydrophobicContact CG1-CD1 4.31Å; V152-L156 WeakPolarHBondContact O-CG 3.48Å; V152-L156 PolarHBondContact O-N 3.18Å |
| 153 | S | 98 | Very high | 95.2 | Very high | 25 Ų | 25 | 47 Ų | 47 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -38.7 | 178.6 | -57.7 | 0 | 0 | 0 | 0 | 112 | K92 T149 S150 Y151 L156 K157 | K92-S153 PolarHBondContact NZ-OG 2.88Å; T149-S153 WeakPolarHBondContact O-CB 3.25Å; T149-S153 PolarHBondContact O-N 2.97Å; T149-S153 PolarHBondContact O-OG 2.99Å; S150-S153 PolarHBondContact O-N 3.45Å; Y151-S153 VanDerWaalsContact C-N 3.27Å; Y151-S153 PolarHBondContact O-N 3.03Å; S153-L156 PolarHBondContact O-N 3.08Å; S153-K157 WeakPolarHBondContact O-CG 3.38Å; S153-K157 PolarHBondContact O-N 3.3Å; S153-K157 VanDerWaalsContact O-N 3.07Å |
| 154 | E | 97.9 | Very high | 94.1 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 173 | -68.4 | -58.1 | 133.4 | 0 | 0 | 112.2 | R63 A66 S150 Y151 L156 K157 Y158 | R63-E154 HydrophobicContact CB-CB 4.47Å; R63-E154 HydrophobicContact CB-CG 3.98Å; A66-E154 HydrophobicContact CB-CB 3.58Å; S150-E154 WeakPolarHBondContact O-CG 3.32Å; S150-E154 PolarHBondContact O-N 3.26Å; Y151-E154 PolarHBondContact O-N 3.19Å; Y151-E154 VanDerWaalsContact O-N 3.16Å; E154-L156 PolarHBondContact O-N 3.25Å; E154-K157 PolarHBondContact O-N 2.89Å; E154-K157 IonicContact OE1-NZ 2.69Å; E154-K157 PolarHBondContact OE1-NZ 3.29Å; E154-Y158 PolarHBondContact O-N 3.44Å |
| 155 | S | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 173.3 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | A66 Y151 V152 Y158 L159 | A66-S155 WeakPolarHBondContact CB-OG 3.08Å; Y151-S155 PolarHBondContact O-N 3.29Å; Y151-S155 PolarHBondContact O-OG 2.74Å; V152-S155 PolarHBondContact O-N 2.89Å; S155-Y158 WeakPolarHBondContact O-CB 3.25Å; S155-Y158 PolarHBondContact O-N 3Å; S155-L159 WeakPolarHBondContact O-CG 3.4Å; S155-L159 PolarHBondContact O-N 3.36Å |
| 156 | L | 96.1 | Very high | 90.5 | Very high | 23 Ų | 23 | 59 Ų | 59 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.4 | -70.8 | 169.2 | 0 | 0 | 0 | 111.5 | K85 L88 I89 V152 S153 E154 Y158 L159 D160 | K85-L156 HydrophobicContact CG-CD2 3.84Å; L88-L156 HydrophobicContact CB-CD2 3.79Å; L88-L156 HydrophobicContact CB-CG 4.14Å; L88-L156 HydrophobicContact CD1-CD2 4.07Å; L88-L156 HydrophobicContact CD1-CG 4.35Å; I89-L156 HydrophobicContact CG1-CD1 4.31Å; I89-L156 HydrophobicContact CG1-CD2 4.1Å; V152-L156 HydrophobicContact CG1-CD1 4.31Å; V152-L156 WeakPolarHBondContact O-CG 3.48Å; V152-L156 PolarHBondContact O-N 3.18Å; S153-L156 PolarHBondContact O-N 3.08Å; E154-L156 PolarHBondContact O-N 3.25Å; L156-Y158 VanDerWaalsContact C-N 3.28Å; L156-Y158 PolarHBondContact O-N 3.07Å; L156-L159 PolarHBondContact O-N 3.38Å; L156-D160 PolarHBondContact O-N 2.98Å |
| 157 | K | 95.6 | Very high | 88.1 | Confident | 96 Ų | 96 | 63.7 Ų | 63.7 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 174.8 | -70.2 | 171.9 | -169.9 | 173.3 | 0 | 112.1 | S153 E154 R161 | S153-K157 WeakPolarHBondContact O-CG 3.38Å; S153-K157 PolarHBondContact O-N 3.3Å; S153-K157 VanDerWaalsContact O-N 3.07Å; E154-K157 PolarHBondContact O-N 2.89Å; E154-K157 IonicContact OE1-NZ 2.69Å; E154-K157 PolarHBondContact OE1-NZ 3.29Å; K157-R161 WeakPolarHBondContact O-CB 3.48Å; K157-R161 VanDerWaalsContact O-CG 3.25Å; K157-R161 WeakPolarHBondContact O-CG 3.36Å; K157-R161 PolarHBondContact O-N 3.09Å; K157-R161 VanDerWaalsContact O-N 3.13Å |
| 158 | Y | 94 | Very high | 85.2 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 11% | 0.114 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 176.5 | -177.8 | -90.6 | 0 | 0 | 0 | 111.2 | E67 C70 R71 E154 S155 L156 D160 R161 H162 | E67-Y158 HydrophobicContact CB-CD2 4.22Å; E67-Y158 HydrophobicContact CB-CE2 4.34Å; E67-Y158 HydrophobicContact CG-CD2 3.74Å; E67-Y158 HydrophobicContact CG-CE2 4.22Å; C70-Y158 HydrophobicContact CB-CD1 3.22Å; C70-Y158 HydrophobicContact CB-CE1 3.47Å; C70-Y158 VanDerWaalsContact CB-CE1 3.47Å; C70-Y158 HydrophobicContact CB-CG 3.95Å; R71-Y158 VanDerWaalsContact CG-OH 3.26Å; R71-Y158 WeakPolarHBondContact CG-OH 3.45Å; E154-Y158 PolarHBondContact O-N 3.44Å; S155-Y158 WeakPolarHBondContact O-CB 3.25Å; S155-Y158 PolarHBondContact O-N 3Å; L156-Y158 VanDerWaalsContact C-N 3.28Å; L156-Y158 PolarHBondContact O-N 3.07Å; Y158-D160 PolarHBondContact O-N 3.5Å; Y158-R161 PolarHBondContact O-N 3.29Å; Y158-H162 AromaticContact CD2-CD2 3.54Å; Y158-H162 AromaticContact CD2-NE2 3.75Å; Y158-H162 AromaticContact CE1-CD2 3.81Å; Y158-H162 AromaticContact CE2-CD2 3.3Å; Y158-H162 WeakPolarHBondContact CE2-CD2 3.46Å; Y158-H162 AromaticContact CE2-NE2 3.23Å; Y158-H162 WeakPolarHBondContact CE2-NE2 3.4Å; Y158-H162 AromaticContact CG-CD2 3.92Å; Y158-H162 AromaticContact CZ-CD2 3.44Å; Y158-H162 VanDerWaalsContact CZ-CD2 3.44Å; Y158-H162 AromaticContact CZ-NE2 3.67Å; Y158-H162 PolarHBondContact O-CD2 3.22Å; Y158-H162 VanDerWaalsContact O-CD2 3.29Å; Y158-H162 PolarHBondContact O-N 3.21Å; Y158-H162 VanDerWaalsContact O-N 3.08Å |
| 159 | L | 92.4 | Very high | 82.4 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 177.9 | -67.5 | 176 | 0 | 0 | 0 | 111.9 | C74 M81 R84 K85 L88 S155 L156 R161 H162 F163 | C74-L159 VanDerWaalsContact SG-CD2 3.53Å; M81-L159 HydrophobicContact SD-CD2 3.71Å; R84-L159 HydrophobicContact CB-CD1 4.48Å; R84-L159 HydrophobicContact CG-CD1 4.09Å; K85-L159 HydrophobicContact CB-CD1 4.3Å; L88-L159 HydrophobicContact CD1-CD1 3.72Å; S155-L159 WeakPolarHBondContact O-CG 3.4Å; S155-L159 PolarHBondContact O-N 3.36Å; L156-L159 PolarHBondContact O-N 3.38Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.34Å; L159-H162 PolarHBondContact O-N 2.95Å; L159-F163 HydrophobicContact CD2-CD2 4.37Å; L159-F163 WeakPolarHBondContact O-CA 3.36Å; L159-F163 WeakPolarHBondContact O-CB 2.84Å; L159-F163 PolarHBondContact O-N 2.76Å |
| 160 | D | 91 | Very high | 79.9 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 43% | 0.428 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -33.3 | -180 | -70.4 | -27.1 | 0 | 0 | 0 | 112.7 | K85 L156 Y158 | K85-D160 IonicContact NZ-OD1 2.68Å; K85-D160 PolarHBondContact NZ-OD1 3.34Å; L156-D160 PolarHBondContact O-N 2.98Å; Y158-D160 PolarHBondContact O-N 3.5Å |
| 161 | R | 89.7 | Confident | 77 | Confident | 160 Ų | 160 | 77.9 Ų | 77.9 | 60% | 0.604 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -75.1 | -38.3 | 177.9 | -75.3 | 174.3 | -177.2 | 174 | 2.8 | 113.3 | K157 Y158 L159 | K157-R161 WeakPolarHBondContact O-CB 3.48Å; K157-R161 VanDerWaalsContact O-CG 3.25Å; K157-R161 WeakPolarHBondContact O-CG 3.36Å; K157-R161 PolarHBondContact O-N 3.09Å; K157-R161 VanDerWaalsContact O-N 3.13Å; Y158-R161 PolarHBondContact O-N 3.29Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.34Å |
| 162 | H | 86.1 | Confident | 74.1 | Confident | 103 Ų | 103 | 82.5 Ų | 82.5 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -91.9 | -19.9 | -174.8 | -75.1 | -78.3 | 0 | 0 | 0 | 113.2 | Y158 L159 | Y158-H162 AromaticContact CD2-CD2 3.54Å; Y158-H162 AromaticContact CD2-NE2 3.75Å; Y158-H162 AromaticContact CE1-CD2 3.81Å; Y158-H162 AromaticContact CE2-CD2 3.3Å; Y158-H162 WeakPolarHBondContact CE2-CD2 3.46Å; Y158-H162 AromaticContact CE2-NE2 3.23Å; Y158-H162 WeakPolarHBondContact CE2-NE2 3.4Å; Y158-H162 AromaticContact CG-CD2 3.92Å; Y158-H162 AromaticContact CZ-CD2 3.44Å; Y158-H162 VanDerWaalsContact CZ-CD2 3.44Å; Y158-H162 AromaticContact CZ-NE2 3.67Å; Y158-H162 PolarHBondContact O-CD2 3.22Å; Y158-H162 VanDerWaalsContact O-CD2 3.29Å; Y158-H162 PolarHBondContact O-N 3.21Å; Y158-H162 VanDerWaalsContact O-N 3.08Å; L159-H162 PolarHBondContact O-N 2.95Å |
| 163 | F | 80.3 | Confident | 71.5 | Confident | 63 Ų | 63 | 87.4 Ų | 87.4 | 28% | 0.276 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -139.9 | 68.9 | -177 | -53.8 | -79.5 | 0 | 0 | 0 | 109.8 | C74 M81 L159 S165 | C74-F163 HydrophobicContact CB-CE2 4.19Å; C74-F163 HydrophobicContact CB-CZ 4.38Å; M81-F163 HydrophobicContact CG-CD1 4.45Å; M81-F163 HydrophobicContact CG-CD2 4.21Å; M81-F163 HydrophobicContact CG-CE2 4.33Å; M81-F163 HydrophobicContact CG-CG 4.27Å; M81-F163 HydrophobicContact CG-CZ 4.5Å; M81-F163 HydrophobicContact SD-CD2 4.35Å; M81-F163 HydrophobicContact SD-CE2 4.12Å; L159-F163 HydrophobicContact CD2-CD2 4.37Å; L159-F163 WeakPolarHBondContact O-CA 3.36Å; L159-F163 WeakPolarHBondContact O-CB 2.84Å; L159-F163 PolarHBondContact O-N 2.76Å; F163-S165 PolarHBondContact O-N 2.95Å; F163-S165 VanDerWaalsContact O-N 3.16Å |
| 164 | P | 75 | Confident | 68.8 | Low | 95 Ų | 95 | 91.2 Ų | 91.2 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | trans | -57.4 | 125.9 | 174.5 | 25.2 | -32.8 | 0 | 0 | 0 | 108.1 | M166 | P164-M166 PolarHBondContact O-N 2.95Å; P164-M166 VanDerWaalsContact O-N 3.11Å | ||
| 165 | S | 64.4 | Low | 66.4 | Low | 77 Ų | 77 | 96.7 Ų | 96.7 | 54% | 0.538 | 54% | 0.541 | S | S | . | . | trans | -51.3 | 124.7 | 173.2 | 56.1 | 0 | 0 | 0 | 0 | 108 | F163 Q167 | F163-S165 PolarHBondContact O-N 2.95Å; F163-S165 VanDerWaalsContact O-N 3.16Å; S165-Q167 PolarHBondContact O-N 2.99Å | ||
| 166 | M | 55.7 | Low | 63.8 | Low | 178 Ų | 178 | 102.2 Ų | 102.2 | 88% | 0.877 | 58% | 0.577 | S | S | * | * | trans | -63.3 | 80.4 | 164.7 | -94.2 | -162.5 | -84.1 | 0 | 0 | 107.8 | P164 S168 | P164-M166 PolarHBondContact O-N 2.95Å; P164-M166 VanDerWaalsContact O-N 3.11Å; M166-S168 PolarHBondContact O-N 3.43Å | ||
| 167 | Q | 48.8 | Very low | 61.2 | Low | 167 Ų | 167 | 108.9 Ų | 108.9 | 78% | 0.78 | 61% | 0.607 | S | S | * | * | trans | -70.2 | 110 | 153.8 | -73.9 | -178.5 | 5.3 | 0 | 0 | 104.9 | S165 | S165-Q167 PolarHBondContact O-N 2.99Š| ||
| 168 | S | 37 | Very low | 58.6 | Low | 63 Ų | 63 | 112.5 Ų | 112.5 | 44% | 0.441 | 63% | 0.63 | S | S | . | * | trans | -42.9 | 132.5 | 176.3 | 178 | 0 | 0 | 0 | 0 | 111.5 | M166 H170 | M166-S168 PolarHBondContact O-N 3.43Å; S168-H170 VanDerWaalsContact CB-CD2 3.49Å; S168-H170 WeakPolarHBondContact CB-CD2 3.4Å; S168-H170 PolarHBondContact O-N 3.37Å; S168-H170 PolarHBondContact OG-CD2 3.2Å; S168-H170 PolarHBondContact OG-CE1 3.04Å; S168-H170 PolarHBondContact OG-NE2 3.32Å | ||
| 169 | P | 38.3 | Very low | 56.4 | Low | 131 Ų | 131 | 116.9 Ų | 116.9 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | trans | -74.4 | 78.2 | 163.5 | 32 | -29.5 | 0 | 0 | 0 | 107.9 | S171 | P169-S171 PolarHBondContact O-N 3.14Š| ||
| 170 | H | 46.2 | Very low | 53.8 | Low | 161 Ų | 161 | 122.2 Ų | 122.2 | 75% | 0.745 | 70% | 0.695 | S | S | * | * | trans | -79.8 | 110.9 | 168 | -82.2 | -54 | 0 | 0 | 0 | 110.2 | S168 | S168-H170 VanDerWaalsContact CB-CD2 3.49Å; S168-H170 WeakPolarHBondContact CB-CD2 3.4Å; S168-H170 PolarHBondContact O-N 3.37Å; S168-H170 PolarHBondContact OG-CD2 3.2Å; S168-H170 PolarHBondContact OG-CE1 3.04Å; S168-H170 PolarHBondContact OG-NE2 3.32Å | ||
| 171 | S | 36.8 | Very low | 51.5 | Low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 70 | 88.6 | 157.1 | 60.7 | 0 | 0 | 0 | 0 | 118.5 | P169 | P169-S171 PolarHBondContact O-N 3.14Š|
| 172 | S | 37.8 | Very low | 49.4 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 90% | 0.895 | 72% | 0.724 | S | S | * | * | trans | -149.5 | 57.7 | 138.2 | -14.5 | 0 | 0 | 0 | 0 | 110.5 | A174 | S172-A174 PolarHBondContact O-N 3.03Š| ||
| 173 | S | 44 | Very low | 47.5 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -84.3 | 86.7 | 161.8 | 59 | 0 | 0 | 0 | 0 | 108.7 | L175 | S173-L175 PolarHBondContact O-N 3.41Š| ||
| 174 | A | 41.7 | Very low | 45.6 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -74.9 | 106.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | S172 | S172-A174 PolarHBondContact O-N 3.03Š| ||
| 175 | L | 45.9 | Very low | 44.2 | Very low | 155 Ų | 155 | 129 Ų | 129 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -115 | 134.6 | 169.1 | -97.3 | 155.7 | 0 | 0 | 0 | 108.5 | S173 | S173-L175 PolarHBondContact O-N 3.41Š| ||
| 176 | P | 42.1 | Very low | 43.3 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -85.6 | 136.5 | -170.7 | 32.4 | -30.6 | 0 | 0 | 0 | 113.1 | ||||
| 177 | H | 42.5 | Very low | 42.6 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 35.7 | 107.2 | 135 | -153.6 | 14.8 | 0 | 0 | 0 | 119.4 | ||||
| 178 | L | 41.7 | Very low | 42.1 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | -168.5 | 154.2 | 127.4 | -104.7 | 138 | 0 | 0 | 0 | 112 | |||||
| 179 | V | 46.7 | Very low | 42.4 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -77.9 | 159.1 | -150.6 | 169.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 180 | P | 39 | Very low | 42.3 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -103.7 | 161.6 | -163.2 | 33.9 | -21.5 | 0 | 0 | 0 | 116 | ||||
| 181 | Q | 41.8 | Very low | 42.2 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | trans | -139.4 | 153.5 | 164.5 | -126.6 | -178.5 | 23 | 0 | 0 | 112 | ||||
| 182 | A | 45.6 | Very low | 42.4 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -105.8 | 177.5 | -148.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 183 | I | 46.7 | Very low | 42.8 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | trans | 99.2 | 118.6 | 150.3 | -50.2 | 171.5 | 0 | 0 | 0 | 117.6 | ||||
| 184 | G | 39.9 | Very low | 42.8 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | 124.1 | 82.3 | 127.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 185 | S | 46.5 | Very low | 42.8 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 38.5 | 129.3 | 133.1 | -89.6 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 186 | K | 43.6 | Very low | 43.1 | Very low | 208 Ų | 208 | 136.2 Ų | 136.2 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | 85.3 | 126.2 | 133.2 | -68.2 | 178.8 | 178.7 | -172.3 | 0 | 121.1 | ||||
| 187 | G | 41.6 | Very low | 43.2 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 160.6 | 99 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 188 | E | 38 | Very low | 43.8 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -87 | 139.4 | 177.7 | 173.4 | -171.3 | 130.4 | 0 | 0 | 111.7 | ||||
| 189 | V | 43.7 | Very low | 43.9 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -157.2 | 136.1 | 143.9 | 178.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 190 | K | 37.5 | Very low | 44.4 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -98.5 | 142.1 | -176.3 | -179.7 | -176.5 | -175.4 | -178.9 | 0 | 111.3 | ||||
| 191 | V | 43.3 | Very low | 45.1 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -135.8 | 125.1 | 160 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 192 | V | 41.2 | Very low | 46 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 61% | 0.612 | 81% | 0.806 | S | S | * | * | trans | -100.1 | 141.6 | 174.3 | 163.2 | 0 | 0 | 0 | 0 | 107.8 | T194 | V192-T194 HydrophobicContact CG1-CG2 4.21Š| ||
| 193 | S | 45.9 | Very low | 46.3 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -144.3 | 135.9 | 151.8 | -169.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 194 | T | 43.4 | Very low | 46.9 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 66% | 0.663 | 83% | 0.833 | S | S | * | * | trans | -95 | 151.1 | -167 | 42.6 | 0 | 0 | 0 | 0 | 113.2 | V192 | V192-T194 HydrophobicContact CG1-CG2 4.21Š| ||
| 195 | S | 42.9 | Very low | 47.2 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 84% | 0.84 | S | S | * | * | trans | 32.5 | 131.7 | 143.6 | 62.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 196 | D | 51.7 | Low | 47.3 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 90% | 0.904 | 84% | 0.844 | S | S | * | * | -151.8 | 141.1 | 125.3 | -99.9 | -27.4 | 0 | 0 | 0 | 112.5 | |||||
| 197 | T | 44.7 | Very low | 47.5 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 73% | 0.73 | 84% | 0.84 | S | S | * | * | trans | -107.8 | 139 | -175.9 | -47.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 198 | S | 54.1 | Low | 47.8 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 90% | 0.895 | 84% | 0.838 | S | S | * | * | trans | -155.4 | 120 | 156.7 | -87.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 199 | S | 44.2 | Very low | 48.4 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -82.5 | 144.1 | 175.4 | -26.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 200 | A | 56.9 | Low | 48.8 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | trans | -148.3 | 122.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 201 | L | 54.8 | Low | 49.6 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 83% | 0.827 | 84% | 0.84 | S | S | * | * | trans | -106.3 | 123.9 | -177.4 | -175.7 | 85.8 | 0 | 0 | 0 | 107.3 | ||||
| 202 | I | 59.1 | Low | 50.1 | Low | 166 Ų | 166 | 136.4 Ų | 136.4 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | trans | -139.3 | 117.2 | 161.2 | -60.9 | -177.1 | 0 | 0 | 0 | 108.5 | ||||
| 203 | K | 51.9 | Low | 50.8 | Low | 186 Ų | 186 | 139.3 Ų | 139.3 | 81% | 0.809 | 86% | 0.856 | S | S | * | * | trans | -90.9 | 141.8 | 164.1 | -76.6 | 178.2 | 173.7 | -179.6 | 0 | 108.9 | ||||
| 204 | S | 60 | Low | 51.2 | Low | 198 Ų | 198 | 141.1 Ų | 141.1 | 100% | 1.385 | 86% | 0.858 | S | S | * | * | trans | -123.3 | 0 | 141.7 | -78.7 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 204 of 204 residues in 161.4 ms
(Link to these results)