| 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 | 49.6 | Very low | 78 | Confident | 240 Ų | 240 | 123.7 Ų | 123.7 | 100% | 1.182 | 70% | 0.698 | S | S | * | * | 0 | 110.6 | 0 | -149.8 | 160.7 | -168.2 | 0 | 0 | 106.9 | |||||
| 2 | A | 61.1 | Low | 79.4 | Confident | 90 Ų | 90 | 129.8 Ų | 129.8 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 137 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K4 | A2-K4 PolarHBondContact O-N 3.36Š|
| 3 | P | 68.8 | Low | 80.7 | Confident | 125 Ų | 125 | 128.5 Ų | 128.5 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 131.7 | 179.4 | 24.3 | -31.1 | 0 | 0 | 0 | 110 | ||
| 4 | K | 69.1 | Low | 81.8 | Confident | 183 Ų | 183 | 129.5 Ų | 129.5 | 80% | 0.796 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 135.3 | 174.7 | -72.2 | -173.9 | 174 | 82 | 0 | 108.9 | A2 L6 | A2-K4 PolarHBondContact O-N 3.36Å; K4-L6 PolarHBondContact O-N 3.01Å |
| 5 | P | 76.1 | Confident | 82.8 | Confident | 100 Ų | 100 | 128.9 Ų | 128.9 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 125.5 | 179.7 | 24.9 | -31.9 | 0 | 0 | 0 | 110 | A7 P8 | P5-A7 VanDerWaalsContact C-N 3.32Å; P5-P8 VanDerWaalsContact O-CD 3.23Å; P5-P8 WeakPolarHBondContact O-CD 3.28Å; P5-P8 WeakPolarHBondContact O-CG 3.5Å |
| 6 | L | 84.6 | Confident | 83.7 | Confident | 135 Ų | 135 | 123.3 Ų | 123.3 | 71% | 0.707 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -78.4 | -16.1 | -178.9 | -62.9 | 174.9 | 0 | 0 | 0 | 113.2 | K4 L9 A10 | K4-L6 PolarHBondContact O-N 3.01Å; L6-L9 WeakPolarHBondContact O-CB 3.44Å; L6-L9 PolarHBondContact O-N 3.06Å; L6-A10 PolarHBondContact O-N 3.18Å |
| 7 | A | 84.1 | Confident | 84.5 | Confident | 71 Ų | 71 | 120.7 Ų | 120.7 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -49.5 | -46.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P5 L9 A10 R11 | P5-A7 VanDerWaalsContact C-N 3.32Å; A7-L9 VanDerWaalsContact C-N 3.31Å; A7-L9 PolarHBondContact O-N 2.67Å; A7-A10 PolarHBondContact O-N 3.41Å; A7-R11 WeakPolarHBondContact O-CB 3.31Å; A7-R11 PolarHBondContact O-N 3.11Å |
| 8 | P | 88.8 | Confident | 85.3 | Confident | 76 Ų | 76 | 117.6 Ų | 117.6 | 49% | 0.494 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.2 | -32.2 | 176.2 | 21.6 | -34.6 | 0 | 0 | 0 | 114 | P5 R12 | P5-P8 VanDerWaalsContact O-CD 3.23Å; P5-P8 WeakPolarHBondContact O-CD 3.28Å; P5-P8 WeakPolarHBondContact O-CG 3.5Å; P8-R12 WeakPolarHBondContact O-CG 3.47Å; P8-R12 PolarHBondContact O-N 3.06Å |
| 9 | L | 90.7 | Very high | 86 | Confident | 104 Ų | 104 | 118 Ų | 118 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.6 | -48.3 | 176.6 | -176.8 | 69.7 | 0 | 0 | 0 | 110.4 | L6 A7 R11 R12 L13 | L6-L9 WeakPolarHBondContact O-CB 3.44Å; L6-L9 PolarHBondContact O-N 3.06Å; A7-L9 VanDerWaalsContact C-N 3.31Å; A7-L9 PolarHBondContact O-N 2.67Å; L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3.43Å; L9-R12 PolarHBondContact O-N 2.85Å; L9-R12 VanDerWaalsContact O-N 3.08Å; L9-L13 HydrophobicContact CG-CD1 4.33Å; L9-L13 PolarHBondContact O-N 3.33Å |
| 10 | A | 92.3 | Very high | 86.6 | Confident | 59 Ų | 59 | 118.4 Ų | 118.4 | 49% | 0.488 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -56.3 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L6 A7 R12 L13 F14 | L6-A10 PolarHBondContact O-N 3.18Å; A7-A10 PolarHBondContact O-N 3.41Å; A10-R12 VanDerWaalsContact C-N 3.34Å; A10-R12 PolarHBondContact O-N 2.96Å; A10-L13 PolarHBondContact O-N 3.42Å; A10-F14 WeakPolarHBondContact O-CB 3.32Å; A10-F14 PolarHBondContact O-N 3.45Å |
| 11 | R | 93.3 | Very high | 87.1 | Confident | 178 Ų | 178 | 118.5 Ų | 118.5 | 67% | 0.672 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.2 | -34.9 | 177.9 | -166.8 | 174.9 | -173.2 | -176.3 | 1.4 | 113.1 | A7 L9 K15 | A7-R11 WeakPolarHBondContact O-CB 3.31Å; A7-R11 PolarHBondContact O-N 3.11Å; L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3.43Å; R11-K15 WeakPolarHBondContact O-CG 3.23Å; R11-K15 PolarHBondContact O-N 2.82Å |
| 12 | R | 94.1 | Very high | 89.4 | Confident | 197 Ų | 197 | 110.9 Ų | 110.9 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.7 | -44.7 | 176 | -74 | 179.4 | -177.1 | -172.7 | 0.8 | 111.4 | P8 L9 A10 K15 G16 | P8-R12 WeakPolarHBondContact O-CG 3.47Å; P8-R12 PolarHBondContact O-N 3.06Å; L9-R12 PolarHBondContact O-N 2.85Å; L9-R12 VanDerWaalsContact O-N 3.08Å; A10-R12 VanDerWaalsContact C-N 3.34Å; A10-R12 PolarHBondContact O-N 2.96Å; R12-K15 PolarHBondContact O-N 2.97Å; R12-G16 PolarHBondContact O-N 3.44Å |
| 13 | L | 96.2 | Very high | 91.2 | Very high | 113 Ų | 113 | 109.3 Ų | 109.3 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.1 | -45.7 | 177.3 | -67.2 | 175.2 | 0 | 0 | 0 | 111.2 | L9 A10 K15 G16 V17 | L9-L13 HydrophobicContact CG-CD1 4.33Å; L9-L13 PolarHBondContact O-N 3.33Å; A10-L13 PolarHBondContact O-N 3.42Å; L13-K15 PolarHBondContact O-N 3.31Å; L13-G16 WeakPolarHBondContact O-CA 3.49Å; L13-G16 PolarHBondContact O-N 3.46Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.48Å |
| 14 | F | 96 | Very high | 92.6 | Very high | 142 Ų | 142 | 105.5 Ų | 105.5 | 62% | 0.623 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -57.5 | -46.3 | 176.4 | 179.9 | -102.1 | 0 | 0 | 0 | 112.3 | A10 G16 V17 V18 | A10-F14 WeakPolarHBondContact O-CB 3.32Å; A10-F14 PolarHBondContact O-N 3.45Å; F14-G16 VanDerWaalsContact C-N 3.28Å; F14-G16 PolarHBondContact O-N 2.76Å; F14-V17 PolarHBondContact O-N 3.43Å; F14-V18 HydrophobicContact CD1-CG2 4.18Å; F14-V18 HydrophobicContact CE1-CG2 3.73Å; F14-V18 HydrophobicContact CE2-CG2 4.13Å; F14-V18 HydrophobicContact CZ-CG2 3.7Å; F14-V18 WeakPolarHBondContact O-CG2 3.31Å; F14-V18 PolarHBondContact O-N 2.77Å |
| 15 | K | 96.6 | Very high | 93.9 | Very high | 121 Ų | 121 | 101.6 Ų | 101.6 | 53% | 0.526 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.5 | -40.2 | 174.6 | -75.4 | -179.2 | 176.5 | -166.5 | 0 | 112.3 | R11 R12 L13 V18 L19 | R11-K15 WeakPolarHBondContact O-CG 3.23Å; R11-K15 PolarHBondContact O-N 2.82Å; R12-K15 PolarHBondContact O-N 2.97Å; L13-K15 PolarHBondContact O-N 3.31Å; K15-V18 PolarHBondContact O-N 3.02Å; K15-L19 WeakPolarHBondContact O-CG 3.37Å; K15-L19 PolarHBondContact O-N 3.29Å |
| 16 | G | 97.7 | Very high | 95 | Very high | 38 Ų | 38 | 102.2 Ų | 102.2 | 39% | 0.392 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R12 L13 F14 L19 L20 | R12-G16 PolarHBondContact O-N 3.44Å; L13-G16 WeakPolarHBondContact O-CA 3.49Å; L13-G16 PolarHBondContact O-N 3.46Å; F14-G16 VanDerWaalsContact C-N 3.28Å; F14-G16 PolarHBondContact O-N 2.76Å; G16-L19 PolarHBondContact O-N 3.14Å; G16-L20 PolarHBondContact O-N 3.48Å |
| 17 | V | 98.1 | Very high | 95.6 | Very high | 80 Ų | 80 | 98 Ų | 98 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | L13 F14 L19 L20 E21 | L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.48Å; F14-V17 PolarHBondContact O-N 3.43Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 3.42Å; V17-L20 WeakPolarHBondContact O-CB 3.3Å; V17-L20 PolarHBondContact O-N 2.83Å; V17-L20 VanDerWaalsContact O-N 3.11Å; V17-E21 HydrophobicContact CG1-CG 4.27Å; V17-E21 WeakPolarHBondContact O-CG 3.3Å; V17-E21 PolarHBondContact O-N 3.31Å |
| 18 | V | 98.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 39% | 0.394 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 178 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | F14 K15 L20 E21 V22 | F14-V18 HydrophobicContact CD1-CG2 4.18Å; F14-V18 HydrophobicContact CE1-CG2 3.73Å; F14-V18 HydrophobicContact CE2-CG2 4.13Å; F14-V18 HydrophobicContact CZ-CG2 3.7Å; F14-V18 WeakPolarHBondContact O-CG2 3.31Å; F14-V18 PolarHBondContact O-N 2.77Å; K15-V18 PolarHBondContact O-N 3.02Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 3.45Å; V18-E21 PolarHBondContact O-N 3.44Å; V18-V22 VanDerWaalsContact O-CG2 3.28Å; V18-V22 WeakPolarHBondContact O-CG2 3.04Å; V18-V22 PolarHBondContact O-N 3.08Å |
| 19 | L | 98.1 | Very high | 96.5 | Very high | 125 Ų | 125 | 101.1 Ų | 101.1 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.5 | -39 | 176.7 | -72.9 | 170 | 0 | 0 | 0 | 112.1 | K15 G16 V17 A23 | K15-L19 WeakPolarHBondContact O-CG 3.37Å; K15-L19 PolarHBondContact O-N 3.29Å; G16-L19 PolarHBondContact O-N 3.14Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 3.42Å; L19-A23 WeakPolarHBondContact O-CB 3.48Å; L19-A23 PolarHBondContact O-N 2.91Å |
| 20 | L | 98.3 | Very high | 96.8 | Very high | 126 Ų | 126 | 97.6 Ų | 97.6 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 176.4 | -172.7 | 77.7 | 0 | 0 | 0 | 111.3 | G16 V17 V18 A23 G24 | G16-L20 PolarHBondContact O-N 3.48Å; V17-L20 WeakPolarHBondContact O-CB 3.3Å; V17-L20 PolarHBondContact O-N 2.83Å; V17-L20 VanDerWaalsContact O-N 3.11Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 3.45Å; L20-A23 PolarHBondContact O-N 3.37Å; L20-G24 PolarHBondContact O-N 3.48Å |
| 21 | E | 97.8 | Very high | 96.9 | Very high | 121 Ų | 121 | 97.3 Ų | 97.3 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.5 | -47.1 | 176.6 | -70.1 | -65.7 | 145 | 0 | 0 | 111.2 | V17 V18 A23 G24 V25 | V17-E21 HydrophobicContact CG1-CG 4.27Å; V17-E21 WeakPolarHBondContact O-CG 3.3Å; V17-E21 PolarHBondContact O-N 3.31Å; V18-E21 PolarHBondContact O-N 3.44Å; E21-A23 VanDerWaalsContact C-N 3.34Å; E21-A23 PolarHBondContact O-N 2.85Å; E21-G24 PolarHBondContact O-N 2.86Å; E21-G24 VanDerWaalsContact O-N 3.15Å; E21-V25 WeakPolarHBondContact O-CG2 3.43Å; E21-V25 PolarHBondContact O-N 3.46Å |
| 22 | V | 98.2 | Very high | 97 | Very high | 79 Ų | 79 | 92.5 Ų | 92.5 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 177.3 | 171 | 0 | 0 | 0 | 0 | 111 | V18 G24 V25 L26 | V18-V22 VanDerWaalsContact O-CG2 3.28Å; V18-V22 WeakPolarHBondContact O-CG2 3.04Å; V18-V22 PolarHBondContact O-N 3.08Å; V22-G24 VanDerWaalsContact C-N 3.31Å; V22-G24 PolarHBondContact O-N 3.13Å; V22-V25 PolarHBondContact O-N 3.27Å; V22-L26 HydrophobicContact CG1-CD1 4.05Å; V22-L26 HydrophobicContact CG1-CG 4.49Å; V22-L26 VanDerWaalsContact O-CG 3.32Å; V22-L26 WeakPolarHBondContact O-CG 3.33Å; V22-L26 PolarHBondContact O-N 2.96Å |
| 23 | A | 98.2 | Very high | 97.1 | Very high | 57 Ų | 57 | 89.4 Ų | 89.4 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L19 L20 E21 L26 G27 | L19-A23 WeakPolarHBondContact O-CB 3.48Å; L19-A23 PolarHBondContact O-N 2.91Å; L20-A23 PolarHBondContact O-N 3.37Å; E21-A23 VanDerWaalsContact C-N 3.34Å; E21-A23 PolarHBondContact O-N 2.85Å; A23-L26 PolarHBondContact O-N 2.85Å; A23-G27 PolarHBondContact O-N 2.99Å |
| 24 | G | 97.9 | Very high | 97.1 | Very high | 45 Ų | 45 | 89.9 Ų | 89.9 | 46% | 0.464 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L20 E21 V22 L26 G27 A28 | L20-G24 PolarHBondContact O-N 3.48Å; E21-G24 PolarHBondContact O-N 2.86Å; E21-G24 VanDerWaalsContact O-N 3.15Å; V22-G24 VanDerWaalsContact C-N 3.31Å; V22-G24 PolarHBondContact O-N 3.13Å; G24-L26 PolarHBondContact O-N 3.46Å; G24-G27 PolarHBondContact O-N 3.47Å; G24-A28 PolarHBondContact O-N 3.43Å |
| 25 | V | 97.6 | Very high | 97.1 | Very high | 101 Ų | 101 | 83.4 Ų | 83.4 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 177.5 | 174 | 0 | 0 | 0 | 0 | 111.3 | E21 V22 G27 A28 Y29 | E21-V25 WeakPolarHBondContact O-CG2 3.43Å; E21-V25 PolarHBondContact O-N 3.46Å; V22-V25 PolarHBondContact O-N 3.27Å; V25-G27 VanDerWaalsContact C-N 3.32Å; V25-G27 PolarHBondContact O-N 2.76Å; V25-A28 PolarHBondContact O-N 2.8Å; V25-Y29 WeakPolarHBondContact O-CB 3.42Å; V25-Y29 PolarHBondContact O-N 3.3Å |
| 26 | L | 97.8 | Very high | 96.9 | Very high | 114 Ų | 114 | 81.9 Ų | 81.9 | 60% | 0.597 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.5 | -40.2 | 176.5 | -71 | 174.2 | 0 | 0 | 0 | 111.9 | V22 A23 G24 G30 | V22-L26 HydrophobicContact CG1-CD1 4.05Å; V22-L26 HydrophobicContact CG1-CG 4.49Å; V22-L26 VanDerWaalsContact O-CG 3.32Å; V22-L26 WeakPolarHBondContact O-CG 3.33Å; V22-L26 PolarHBondContact O-N 2.96Å; A23-L26 PolarHBondContact O-N 2.85Å; G24-L26 PolarHBondContact O-N 3.46Å; L26-G30 PolarHBondContact O-N 3.19Å |
| 27 | G | 97.5 | Very high | 96.8 | Very high | 45 Ų | 45 | 84.4 Ų | 84.4 | 46% | 0.464 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A23 G24 V25 G30 L31 | A23-G27 PolarHBondContact O-N 2.99Å; G24-G27 PolarHBondContact O-N 3.47Å; V25-G27 VanDerWaalsContact C-N 3.32Å; V25-G27 PolarHBondContact O-N 2.76Å; G27-G30 PolarHBondContact O-N 3.37Å; G27-L31 VanDerWaalsContact O-CB 3.31Å; G27-L31 WeakPolarHBondContact O-CB 3.43Å; G27-L31 PolarHBondContact O-N 2.98Å |
| 28 | A | 96.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 82.6 Ų | 82.6 | 49% | 0.488 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | G24 V25 L31 F32 | G24-A28 PolarHBondContact O-N 3.43Å; V25-A28 PolarHBondContact O-N 2.8Å; A28-L31 WeakPolarHBondContact O-CB 3.29Å; A28-L31 PolarHBondContact O-N 2.8Å; A28-F32 WeakPolarHBondContact O-CB 3.46Å; A28-F32 PolarHBondContact O-N 3.24Å |
| 29 | Y | 96.2 | Very high | 96.4 | Very high | 154 Ų | 154 | 81.9 Ų | 81.9 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 175.3 | 176.9 | -99.2 | 0 | 0 | 0 | 111.9 | V25 L31 F32 Y33 | V25-Y29 WeakPolarHBondContact O-CB 3.42Å; V25-Y29 PolarHBondContact O-N 3.3Å; Y29-L31 VanDerWaalsContact C-N 3.28Å; Y29-L31 PolarHBondContact O-N 3.46Å; Y29-F32 PolarHBondContact O-N 2.71Å; Y29-Y33 VanDerWaalsContact O-CB 3.29Å; Y29-Y33 WeakPolarHBondContact O-CB 3.47Å; Y29-Y33 PolarHBondContact O-N 3.38Å |
| 30 | G | 96.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 80.7 Ų | 80.7 | 32% | 0.32 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L26 G27 K34 | L26-G30 PolarHBondContact O-N 3.19Å; G27-G30 PolarHBondContact O-N 3.37Å; G30-K34 PolarHBondContact O-N 3.37Å |
| 31 | L | 95.5 | Very high | 96 | Very high | 52 Ų | 52 | 76.4 Ų | 76.4 | 27% | 0.272 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.1 | -50.8 | 172.7 | 170.4 | 62.9 | 0 | 0 | 0 | 111.4 | G27 A28 Y29 Y33 K34 M35 F41 M45 V52 | G27-L31 VanDerWaalsContact O-CB 3.31Å; G27-L31 WeakPolarHBondContact O-CB 3.43Å; G27-L31 PolarHBondContact O-N 2.98Å; A28-L31 WeakPolarHBondContact O-CB 3.29Å; A28-L31 PolarHBondContact O-N 2.8Å; Y29-L31 VanDerWaalsContact C-N 3.28Å; Y29-L31 PolarHBondContact O-N 3.46Å; L31-Y33 VanDerWaalsContact C-N 3.34Å; L31-Y33 PolarHBondContact O-N 2.9Å; L31-K34 PolarHBondContact O-N 2.86Å; L31-M35 HydrophobicContact CD1-CE 3.92Å; L31-M35 HydrophobicContact CD1-CG 4.47Å; L31-M35 HydrophobicContact CD2-CE 4.16Å; L31-M35 HydrophobicContact CG-CE 3.66Å; L31-M35 PolarHBondContact O-N 3Å; L31-F41 HydrophobicContact CD1-CE1 3.8Å; L31-F41 HydrophobicContact CD1-CZ 4.02Å; L31-M45 HydrophobicContact CD1-CE 3.21Å; L31-V52 HydrophobicContact CD2-CG1 3.96Å |
| 32 | F | 94.6 | Very high | 95.9 | Very high | 77 Ų | 77 | 71.6 Ų | 71.6 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 179.6 | -163.3 | -86.5 | 0 | 0 | 0 | 111.6 | A28 Y29 K34 M35 N36 Y56 N60 | A28-F32 WeakPolarHBondContact O-CB 3.46Å; A28-F32 PolarHBondContact O-N 3.24Å; Y29-F32 PolarHBondContact O-N 2.71Å; F32-K34 PolarHBondContact O-N 3.33Å; F32-M35 PolarHBondContact O-N 3.13Å; F32-N36 WeakPolarHBondContact O-CB 3.24Å; F32-N36 PolarHBondContact O-N 3.42Å; F32-Y56 HydrophobicContact CD1-CE2 4.43Å; F32-Y56 AromaticContact CD2-CD2 3.69Å; F32-Y56 HydrophobicContact CD2-CD2 3.69Å; F32-Y56 HydrophobicContact CD2-CE2 4.31Å; F32-Y56 HydrophobicContact CE1-CD2 4.36Å; F32-Y56 HydrophobicContact CE1-CE2 4.09Å; F32-Y56 AromaticContact CE2-CD2 3.41Å; F32-Y56 HydrophobicContact CE2-CD2 3.41Å; F32-Y56 VanDerWaalsContact CE2-CD2 3.41Å; F32-Y56 AromaticContact CE2-CE2 3.96Å; F32-Y56 HydrophobicContact CE2-CE2 3.96Å; F32-Y56 HydrophobicContact CE2-CG 4.37Å; F32-Y56 HydrophobicContact CG-CD2 4.29Å; F32-Y56 AromaticContact CZ-CD2 3.79Å; F32-Y56 HydrophobicContact CZ-CD2 3.79Å; F32-Y56 AromaticContact CZ-CE2 3.83Å; F32-Y56 HydrophobicContact CZ-CE2 3.83Å; F32-N60 WeakPolarHBondContact CZ-ND2 3.28Å |
| 33 | Y | 96.3 | Very high | 95.8 | Very high | 132 Ų | 132 | 69.7 Ų | 69.7 | 52% | 0.518 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 176.2 | 180 | -97 | 0 | 0 | 0 | 112.2 | Y29 L31 N36 T37 | Y29-Y33 VanDerWaalsContact O-CB 3.29Å; Y29-Y33 WeakPolarHBondContact O-CB 3.47Å; Y29-Y33 PolarHBondContact O-N 3.38Å; L31-Y33 VanDerWaalsContact C-N 3.34Å; L31-Y33 PolarHBondContact O-N 2.9Å; Y33-N36 PolarHBondContact O-N 3.13Å; Y33-T37 WeakPolarHBondContact O-CB 3.42Å; Y33-T37 PolarHBondContact O-N 2.65Å; Y33-T37 PolarHBondContact O-OG1 2.88Å |
| 34 | K | 96.1 | Very high | 95.6 | Very high | 124 Ų | 124 | 73.9 Ų | 73.9 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 175.1 | -84.1 | -163.1 | 172.4 | -175.3 | 0 | 112.4 | G30 L31 F32 N36 T37 S38 F41 | G30-K34 PolarHBondContact O-N 3.37Å; L31-K34 PolarHBondContact O-N 2.86Å; F32-K34 PolarHBondContact O-N 3.33Å; K34-N36 VanDerWaalsContact C-N 3.29Å; K34-N36 PolarHBondContact O-N 3.35Å; K34-T37 PolarHBondContact O-N 3.44Å; K34-S38 PolarHBondContact O-N 3.45Å; K34-F41 HydrophobicContact CB-CD1 3.85Å; K34-F41 HydrophobicContact CB-CE1 3.83Å; K34-F41 HydrophobicContact CB-CG 4.22Å; K34-F41 HydrophobicContact CB-CZ 4.18Å; K34-F41 HydrophobicContact CD-CD2 4.33Å; K34-F41 HydrophobicContact CD-CE2 4.06Å; K34-F41 HydrophobicContact CD-CZ 4.26Å |
| 35 | M | 95.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62 | -38 | 174.4 | -74.7 | -164.8 | -84.4 | 0 | 0 | 111.7 | L31 F32 F41 R42 M45 V52 L53 Y56 | L31-M35 HydrophobicContact CD1-CE 3.92Å; L31-M35 HydrophobicContact CD1-CG 4.47Å; L31-M35 HydrophobicContact CD2-CE 4.16Å; L31-M35 HydrophobicContact CG-CE 3.66Å; L31-M35 PolarHBondContact O-N 3Å; F32-M35 PolarHBondContact O-N 3.13Å; M35-F41 HydrophobicContact CG-CD1 3.77Å; M35-F41 HydrophobicContact CG-CE1 3.78Å; M35-R42 HydrophobicContact CB-CG 4.06Å; M35-R42 HydrophobicContact CG-CG 4.29Å; M35-R42 WeakPolarHBondContact O-CD 3.17Å; M35-R42 VanDerWaalsContact O-CG 3.29Å; M35-R42 WeakPolarHBondContact O-CG 3.36Å; M35-R42 PolarHBondContact O-NH1 3.4Å; M35-M45 HydrophobicContact SD-CG 4.48Å; M35-V52 HydrophobicContact CE-CG1 4.06Å; M35-L53 HydrophobicContact SD-CD1 4.18Å; M35-Y56 HydrophobicContact CB-CD2 3.71Å; M35-Y56 HydrophobicContact CB-CE2 3.7Å; M35-Y56 HydrophobicContact CB-CG 4.17Å; M35-Y56 HydrophobicContact CE-CD2 4.17Å; M35-Y56 HydrophobicContact CE-CG 4.25Å; M35-Y56 HydrophobicContact SD-CD2 4.17Å; M35-Y56 HydrophobicContact SD-CG 3.9Å |
| 36 | N | 94.2 | Very high | 95.2 | Very high | 89 Ų | 89 | 70.6 Ų | 70.6 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 177.9 | -163.9 | 50.1 | 0 | 0 | 0 | 112.7 | F32 Y33 K34 R42 Y56 | F32-N36 WeakPolarHBondContact O-CB 3.24Å; F32-N36 PolarHBondContact O-N 3.42Å; Y33-N36 PolarHBondContact O-N 3.13Å; K34-N36 VanDerWaalsContact C-N 3.29Å; K34-N36 PolarHBondContact O-N 3.35Å; N36-R42 PolarHBondContact O-NH1 2.9Å; N36-Y56 WeakPolarHBondContact CA-OH 3.29Å; N36-Y56 HydrophobicContact CB-CE2 4.41Å; N36-Y56 PolarHBondContact OD1-OH 2.69Å |
| 37 | T | 94.3 | Very high | 95 | Very high | 91 Ų | 91 | 71 Ų | 71 | 56% | 0.558 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -83.7 | -32.7 | -173.7 | -51.2 | 0 | 0 | 0 | 0 | 113.4 | Y33 K34 | Y33-T37 WeakPolarHBondContact O-CB 3.42Å; Y33-T37 PolarHBondContact O-N 2.65Å; Y33-T37 PolarHBondContact O-OG1 2.88Å; K34-T37 PolarHBondContact O-N 3.44Å |
| 38 | S | 94.8 | Very high | 94.8 | Very high | 43 Ų | 43 | 73.2 Ų | 73.2 | 30% | 0.301 | 37% | 0.367 | S | S | . | . | trans | -128.5 | 118.4 | -170.6 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | K34 F41 R42 | K34-S38 PolarHBondContact O-N 3.45Å; S38-F41 PolarHBondContact O-N 2.92Å; S38-F41 PolarHBondContact OG-N 2.98Å; S38-R42 PolarHBondContact O-N 3.25Å | ||
| 39 | Q | 93.3 | Very high | 94.7 | Very high | 50 Ų | 50 | 74.5 Ų | 74.5 | 23% | 0.234 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 172.9 | 179.4 | 167.7 | 12.8 | 0 | 0 | 113.1 | F41 R42 N43 D72 D75 | Q39-F41 VanDerWaalsContact C-N 3.26Å; Q39-F41 PolarHBondContact O-N 3.46Å; Q39-R42 WeakPolarHBondContact O-CB 3.34Å; Q39-R42 PolarHBondContact O-N 3.07Å; Q39-R42 VanDerWaalsContact O-N 3.13Å; Q39-N43 PolarHBondContact O-N 3.21Å; Q39-D72 VanDerWaalsContact CG-OD1 3.24Å; Q39-D72 WeakPolarHBondContact CG-OD1 3.32Å; Q39-D72 PolarHBondContact NE2-OD1 2.71Å; Q39-D75 PolarHBondContact NE2-OD2 3.32Å; Q39-D75 PolarHBondContact OE1-OD2 3.21Å |
| 40 | D | 93.8 | Very high | 94.6 | Very high | 99 Ų | 99 | 70.5 Ų | 70.5 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64 | -34.7 | 175.1 | -65.1 | -57.2 | 0 | 0 | 0 | 111.6 | N43 R44 K79 | D40-N43 WeakPolarHBondContact O-CB 3.45Å; D40-N43 PolarHBondContact O-N 3.45Å; D40-R44 PolarHBondContact O-N 3.34Å; D40-K79 IonicContact OD1-NZ 3.22Å; D40-K79 PolarHBondContact OD1-NZ 3.39Å |
| 41 | F | 94.8 | Very high | 94.5 | Very high | 36 Ų | 36 | 73.2 Ų | 73.2 | 16% | 0.158 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 173.1 | -171.9 | -96.8 | 0 | 0 | 0 | 111.8 | L31 K34 M35 S38 Q39 N43 R44 M45 | L31-F41 HydrophobicContact CD1-CE1 3.8Å; L31-F41 HydrophobicContact CD1-CZ 4.02Å; K34-F41 HydrophobicContact CB-CD1 3.85Å; K34-F41 HydrophobicContact CB-CE1 3.83Å; K34-F41 HydrophobicContact CB-CG 4.22Å; K34-F41 HydrophobicContact CB-CZ 4.18Å; K34-F41 HydrophobicContact CD-CD2 4.33Å; K34-F41 HydrophobicContact CD-CE2 4.06Å; K34-F41 HydrophobicContact CD-CZ 4.26Å; M35-F41 HydrophobicContact CG-CD1 3.77Å; M35-F41 HydrophobicContact CG-CE1 3.78Å; S38-F41 PolarHBondContact O-N 2.92Å; S38-F41 PolarHBondContact OG-N 2.98Å; Q39-F41 VanDerWaalsContact C-N 3.26Å; Q39-F41 PolarHBondContact O-N 3.46Å; F41-N43 VanDerWaalsContact C-N 3.32Å; F41-N43 PolarHBondContact O-N 2.89Å; F41-R44 PolarHBondContact O-N 3.37Å; F41-M45 HydrophobicContact CD1-CG 4.22Å; F41-M45 HydrophobicContact CE1-CE 3.89Å; F41-M45 HydrophobicContact CE1-CG 3.88Å; F41-M45 HydrophobicContact CZ-CE 3.7Å; F41-M45 HydrophobicContact CZ-CG 4.34Å; F41-M45 HydrophobicContact CZ-SD 4.46Å; F41-M45 WeakPolarHBondContact O-CG 3.48Å; F41-M45 PolarHBondContact O-N 2.88Å |
| 42 | R | 96 | Very high | 94.5 | Very high | 20 Ų | 20 | 73.2 Ų | 73.2 | 8% | 0.075 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 171.7 | -68.1 | -170.7 | -61 | -109.5 | 9.6 | 111.5 | M35 N36 S38 Q39 R44 M45 N46 L53 D72 W76 | M35-R42 HydrophobicContact CB-CG 4.06Å; M35-R42 HydrophobicContact CG-CG 4.29Å; M35-R42 WeakPolarHBondContact O-CD 3.17Å; M35-R42 VanDerWaalsContact O-CG 3.29Å; M35-R42 WeakPolarHBondContact O-CG 3.36Å; M35-R42 PolarHBondContact O-NH1 3.4Å; N36-R42 PolarHBondContact O-NH1 2.9Å; S38-R42 PolarHBondContact O-N 3.25Å; Q39-R42 WeakPolarHBondContact O-CB 3.34Å; Q39-R42 PolarHBondContact O-N 3.07Å; Q39-R42 VanDerWaalsContact O-N 3.13Å; R42-R44 PolarHBondContact O-N 3.5Å; R42-M45 CarbonylContact O-C 3.34Å; R42-M45 PolarHBondContact O-N 3.2Å; R42-M45 VanDerWaalsContact O-N 3.15Å; R42-N46 PolarHBondContact O-N 2.82Å; R42-L53 HydrophobicContact CB-CD1 3.8Å; R42-L53 HydrophobicContact CG-CD1 3.93Å; R42-D72 WeakPolarHBondContact CD-OD2 3.4Å; R42-D72 IonicContact CZ-OD1 3.5Å; R42-D72 IonicContact CZ-OD2 3.43Å; R42-D72 IonicContact NE-OD1 3.37Å; R42-D72 PolarHBondContact NE-OD1 3.37Å; R42-D72 IonicContact NE-OD2 2.65Å; R42-D72 PolarHBondContact NE-OD2 2.93Å; R42-D72 IonicContact NH2-OD1 2.76Å; R42-D72 PolarHBondContact NH2-OD1 2.98Å; R42-D72 IonicContact NH2-OD2 3.45Å; R42-D72 PolarHBondContact NH2-OD2 3.32Å; R42-W76 HydrophobicContact CB-CH2 4.27Å; R42-W76 HydrophobicContact CB-CZ2 4Å |
| 43 | N | 94.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 21% | 0.214 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.3 | -166.6 | 9 | 0 | 0 | 0 | 111.8 | Q39 D40 F41 M45 N46 N47 W76 | Q39-N43 PolarHBondContact O-N 3.21Å; D40-N43 WeakPolarHBondContact O-CB 3.45Å; D40-N43 PolarHBondContact O-N 3.45Å; F41-N43 VanDerWaalsContact C-N 3.32Å; F41-N43 PolarHBondContact O-N 2.89Å; N43-M45 VanDerWaalsContact C-N 3.27Å; N43-M45 PolarHBondContact O-N 3.03Å; N43-N46 VanDerWaalsContact O-CB 3.28Å; N43-N46 WeakPolarHBondContact O-CB 3.44Å; N43-N46 PolarHBondContact O-N 3.48Å; N43-N46 VanDerWaalsContact O-N 3.14Å; N43-N47 PolarHBondContact O-N 2.92Å; N43-N47 PolarHBondContact O-ND2 2.94Å; N43-N47 PolarHBondContact OD1-ND2 3.29Å; N43-W76 HydrophobicContact CB-CD2 4.21Å; N43-W76 VanDerWaalsContact CB-CE2 3.48Å; N43-W76 HydrophobicContact CB-CH2 4.45Å; N43-W76 HydrophobicContact CB-CZ2 3.64Å |
| 44 | R | 94 | Very high | 94.5 | Very high | 144 Ų | 144 | 67.6 Ų | 67.6 | 54% | 0.543 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 174.4 | -174.7 | 175.4 | 179.2 | -118.7 | 0 | 111.4 | D40 F41 R42 N46 N47 M48 | D40-R44 PolarHBondContact O-N 3.34Å; F41-R44 PolarHBondContact O-N 3.37Å; R42-R44 PolarHBondContact O-N 3.5Å; R44-N46 VanDerWaalsContact C-N 3.35Å; R44-N47 PolarHBondContact O-N 2.93Å; R44-M48 HydrophobicContact CG-CE 4.45Å; R44-M48 HydrophobicContact CG-CG 4.39Å; R44-M48 HydrophobicContact CG-SD 4.26Å; R44-M48 WeakPolarHBondContact O-CG 3.28Å; R44-M48 PolarHBondContact O-N 3.28Å |
| 45 | M | 93.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 66 Ų | 66 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.1 | -33 | 175.6 | -71.1 | -49 | -146.8 | 0 | 0 | 113 | L31 M35 F41 R42 N43 N47 M48 L49 L53 | L31-M45 HydrophobicContact CD1-CE 3.21Å; M35-M45 HydrophobicContact SD-CG 4.48Å; F41-M45 HydrophobicContact CD1-CG 4.22Å; F41-M45 HydrophobicContact CE1-CE 3.89Å; F41-M45 HydrophobicContact CE1-CG 3.88Å; F41-M45 HydrophobicContact CZ-CE 3.7Å; F41-M45 HydrophobicContact CZ-CG 4.34Å; F41-M45 HydrophobicContact CZ-SD 4.46Å; F41-M45 WeakPolarHBondContact O-CG 3.48Å; F41-M45 PolarHBondContact O-N 2.88Å; R42-M45 CarbonylContact O-C 3.34Å; R42-M45 PolarHBondContact O-N 3.2Å; R42-M45 VanDerWaalsContact O-N 3.15Å; N43-M45 VanDerWaalsContact C-N 3.27Å; N43-M45 PolarHBondContact O-N 3.03Å; M45-N47 PolarHBondContact O-N 3.22Å; M45-M48 PolarHBondContact O-N 3.14Å; M45-M48 HydrophobicContact SD-CE 3.94Å; M45-L49 CarbonylContact O-C 3.01Å; M45-L49 WeakPolarHBondContact O-CA 3.33Å; M45-L49 PolarHBondContact O-N 3.37Å; M45-L53 HydrophobicContact CB-CB 4.31Å |
| 46 | N | 93.9 | Very high | 94.5 | Very high | 63 Ų | 63 | 66 Ų | 66 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.1 | -40.6 | 172.6 | -168.7 | 55.6 | 0 | 0 | 0 | 111.2 | R42 N43 R44 L53 W76 | R42-N46 PolarHBondContact O-N 2.82Å; N43-N46 VanDerWaalsContact O-CB 3.28Å; N43-N46 WeakPolarHBondContact O-CB 3.44Å; N43-N46 PolarHBondContact O-N 3.48Å; N43-N46 VanDerWaalsContact O-N 3.14Å; R44-N46 VanDerWaalsContact C-N 3.35Å; N46-L53 HydrophobicContact CB-CD2 3.56Å; N46-W76 HydrophobicContact CB-CH2 4.01Å; N46-W76 HydrophobicContact CB-CZ3 3.8Å |
| 47 | N | 92.8 | Very high | 94.6 | Very high | 121 Ų | 121 | 62.3 Ų | 62.3 | 65% | 0.647 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -79.4 | -37.4 | -179.7 | -68.9 | -66.9 | 0 | 0 | 0 | 113.7 | N43 R44 M45 | N43-N47 PolarHBondContact O-N 2.92Å; N43-N47 PolarHBondContact O-ND2 2.94Å; N43-N47 PolarHBondContact OD1-ND2 3.29Å; R44-N47 PolarHBondContact O-N 2.93Å; M45-N47 PolarHBondContact O-N 3.22Å |
| 48 | M | 94.3 | Very high | 94.7 | Very high | 92 Ų | 92 | 62.3 Ų | 62.3 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -89.8 | -44.5 | -176.8 | -64.1 | -165 | -33.7 | 0 | 0 | 113.7 | R44 M45 | R44-M48 HydrophobicContact CG-CE 4.45Å; R44-M48 HydrophobicContact CG-CG 4.39Å; R44-M48 HydrophobicContact CG-SD 4.26Å; R44-M48 WeakPolarHBondContact O-CG 3.28Å; R44-M48 PolarHBondContact O-N 3.28Å; M45-M48 PolarHBondContact O-N 3.14Å; M45-M48 HydrophobicContact SD-CE 3.94Å |
| 49 | L | 94 | Very high | 94.7 | Very high | 87 Ų | 87 | 62.9 Ų | 62.9 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | trans | -144.5 | 67.1 | -168.3 | -66.9 | 175 | 0 | 0 | 0 | 110.6 | M45 S51 V52 L53 | M45-L49 CarbonylContact O-C 3.01Å; M45-L49 WeakPolarHBondContact O-CA 3.33Å; M45-L49 PolarHBondContact O-N 3.37Å; L49-S51 PolarHBondContact O-N 3.18Å; L49-V52 HydrophobicContact CB-CB 4.21Å; L49-V52 HydrophobicContact CB-CG2 4.04Å; L49-V52 HydrophobicContact CD1-CG2 4.38Å; L49-V52 PolarHBondContact O-N 3.15Å; L49-L53 PolarHBondContact O-N 3.14Å | ||
| 50 | P | 93.4 | Very high | 94.8 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.9 | -34.5 | -174.5 | 21.8 | -32.9 | 0 | 0 | 0 | 112.8 | V52 L53 E54 | P50-V52 VanDerWaalsContact C-N 3.3Å; P50-V52 PolarHBondContact O-N 3.3Å; P50-L53 PolarHBondContact O-N 3.47Å; P50-E54 PolarHBondContact O-N 3.05Å |
| 51 | S | 95.6 | Very high | 94.9 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 62% | 0.622 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.8 | -36.7 | 177.4 | -48.9 | 0 | 0 | 0 | 0 | 113.1 | L49 E54 V55 | L49-S51 PolarHBondContact O-N 3.18Å; S51-E54 PolarHBondContact O-N 2.84Å; S51-V55 WeakPolarHBondContact O-CG2 3.3Å; S51-V55 PolarHBondContact O-N 3.32Å; S51-V55 VanDerWaalsContact O-N 3.14Å |
| 52 | V | 94.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 66.8 Ų | 66.8 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.7 | -41.8 | 179 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | L31 M35 L49 P50 E54 V55 Y56 | L31-V52 HydrophobicContact CD2-CG1 3.96Å; M35-V52 HydrophobicContact CE-CG1 4.06Å; L49-V52 HydrophobicContact CB-CB 4.21Å; L49-V52 HydrophobicContact CB-CG2 4.04Å; L49-V52 HydrophobicContact CD1-CG2 4.38Å; L49-V52 PolarHBondContact O-N 3.15Å; P50-V52 VanDerWaalsContact C-N 3.3Å; P50-V52 PolarHBondContact O-N 3.3Å; V52-E54 VanDerWaalsContact C-N 3.3Å; V52-E54 PolarHBondContact O-N 3.36Å; V52-V55 PolarHBondContact O-N 3.43Å; V52-Y56 PolarHBondContact O-N 2.89Å |
| 53 | L | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 175.3 | -179.2 | 66.8 | 0 | 0 | 0 | 111.5 | M35 R42 M45 N46 L49 P50 Y56 Y57 W76 | M35-L53 HydrophobicContact SD-CD1 4.18Å; R42-L53 HydrophobicContact CB-CD1 3.8Å; R42-L53 HydrophobicContact CG-CD1 3.93Å; M45-L53 HydrophobicContact CB-CB 4.31Å; N46-L53 HydrophobicContact CB-CD2 3.56Å; L49-L53 PolarHBondContact O-N 3.14Å; P50-L53 PolarHBondContact O-N 3.47Å; L53-Y56 HydrophobicContact CD1-CD1 4.22Å; L53-Y56 WeakPolarHBondContact O-CB 3.23Å; L53-Y56 PolarHBondContact O-N 3.24Å; L53-Y57 HydrophobicContact CD1-CE1 4.44Å; L53-Y57 HydrophobicContact CD1-CE2 3.98Å; L53-Y57 HydrophobicContact CD2-CE2 3.8Å; L53-Y57 HydrophobicContact CG-CD2 4.1Å; L53-Y57 HydrophobicContact CG-CE2 3.51Å; L53-Y57 WeakPolarHBondContact O-CD2 3.42Å; L53-Y57 PolarHBondContact O-N 3.42Å; L53-W76 HydrophobicContact CD2-CH2 3.98Å; L53-W76 HydrophobicContact CD2-CZ3 4.39Å |
| 54 | E | 95.7 | Very high | 94.9 | Very high | 91 Ų | 91 | 69.8 Ų | 69.8 | 43% | 0.425 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.2 | -167.3 | 176.2 | 159.9 | 0 | 0 | 112.4 | P50 S51 V52 Y56 Y57 K58 | P50-E54 PolarHBondContact O-N 3.05Å; S51-E54 PolarHBondContact O-N 2.84Å; V52-E54 VanDerWaalsContact C-N 3.3Å; V52-E54 PolarHBondContact O-N 3.36Å; E54-Y56 VanDerWaalsContact C-N 3.29Å; E54-Y56 PolarHBondContact O-N 3.37Å; E54-Y57 PolarHBondContact O-N 3.29Å; E54-K58 HydrophobicContact CG-CD 4.47Å; E54-K58 PolarHBondContact O-N 3Å; E54-K58 VanDerWaalsContact OE1-CE 3.23Å; E54-K58 WeakPolarHBondContact OE1-CE 3.48Å; E54-K58 IonicContact OE1-NZ 2.71Å; E54-K58 PolarHBondContact OE1-NZ 3.45Å |
| 55 | V | 95.9 | Very high | 94.9 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.8 | -41.3 | 172.5 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | S51 V52 K58 S59 | S51-V55 WeakPolarHBondContact O-CG2 3.3Å; S51-V55 PolarHBondContact O-N 3.32Å; S51-V55 VanDerWaalsContact O-N 3.14Å; V52-V55 PolarHBondContact O-N 3.43Å; V55-K58 PolarHBondContact O-N 3.39Å; V55-S59 VanDerWaalsContact O-CB 3.28Å; V55-S59 WeakPolarHBondContact O-CB 3.45Å; V55-S59 PolarHBondContact O-N 3Å; V55-S59 PolarHBondContact O-OG 3.15Å |
| 56 | Y | 95.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 73.1 Ų | 73.1 | 1% | 0.012 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 174.4 | 166.2 | -91 | 0 | 0 | 0 | 111.6 | F32 M35 N36 V52 L53 E54 S59 N60 I68 | F32-Y56 HydrophobicContact CD1-CE2 4.43Å; F32-Y56 AromaticContact CD2-CD2 3.69Å; F32-Y56 HydrophobicContact CD2-CD2 3.69Å; F32-Y56 HydrophobicContact CD2-CE2 4.31Å; F32-Y56 HydrophobicContact CE1-CD2 4.36Å; F32-Y56 HydrophobicContact CE1-CE2 4.09Å; F32-Y56 AromaticContact CE2-CD2 3.41Å; F32-Y56 HydrophobicContact CE2-CD2 3.41Å; F32-Y56 VanDerWaalsContact CE2-CD2 3.41Å; F32-Y56 AromaticContact CE2-CE2 3.96Å; F32-Y56 HydrophobicContact CE2-CE2 3.96Å; F32-Y56 HydrophobicContact CE2-CG 4.37Å; F32-Y56 HydrophobicContact CG-CD2 4.29Å; F32-Y56 AromaticContact CZ-CD2 3.79Å; F32-Y56 HydrophobicContact CZ-CD2 3.79Å; F32-Y56 AromaticContact CZ-CE2 3.83Å; F32-Y56 HydrophobicContact CZ-CE2 3.83Å; M35-Y56 HydrophobicContact CB-CD2 3.71Å; M35-Y56 HydrophobicContact CB-CE2 3.7Å; M35-Y56 HydrophobicContact CB-CG 4.17Å; M35-Y56 HydrophobicContact CE-CD2 4.17Å; M35-Y56 HydrophobicContact CE-CG 4.25Å; M35-Y56 HydrophobicContact SD-CD2 4.17Å; M35-Y56 HydrophobicContact SD-CG 3.9Å; N36-Y56 WeakPolarHBondContact CA-OH 3.29Å; N36-Y56 HydrophobicContact CB-CE2 4.41Å; N36-Y56 PolarHBondContact OD1-OH 2.69Å; V52-Y56 PolarHBondContact O-N 2.89Å; L53-Y56 HydrophobicContact CD1-CD1 4.22Å; L53-Y56 WeakPolarHBondContact O-CB 3.23Å; L53-Y56 PolarHBondContact O-N 3.24Å; E54-Y56 VanDerWaalsContact C-N 3.29Å; E54-Y56 PolarHBondContact O-N 3.37Å; Y56-S59 PolarHBondContact O-N 2.92Å; Y56-N60 WeakPolarHBondContact CE2-ND2 3.44Å; Y56-N60 VanDerWaalsContact CZ-ND2 3.31Å; Y56-N60 PolarHBondContact O-N 3.25Å; Y56-N60 VanDerWaalsContact O-N 3.13Å; Y56-N60 PolarHBondContact O-ND2 2.9Å; Y56-I68 HydrophobicContact CE1-CG2 4.25Å |
| 57 | Y | 96.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 71.6 Ų | 71.6 | 5% | 0.047 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.7 | -51.7 | 177.4 | -67.9 | -49.3 | 0 | 0 | 0 | 111.8 | L53 E54 S59 N60 E61 I68 R69 D72 W76 | L53-Y57 HydrophobicContact CD1-CE1 4.44Å; L53-Y57 HydrophobicContact CD1-CE2 3.98Å; L53-Y57 HydrophobicContact CD2-CE2 3.8Å; L53-Y57 HydrophobicContact CG-CD2 4.1Å; L53-Y57 HydrophobicContact CG-CE2 3.51Å; L53-Y57 WeakPolarHBondContact O-CD2 3.42Å; L53-Y57 PolarHBondContact O-N 3.42Å; E54-Y57 PolarHBondContact O-N 3.29Å; Y57-S59 VanDerWaalsContact C-N 3.26Å; Y57-S59 PolarHBondContact O-N 2.98Å; Y57-N60 PolarHBondContact O-N 2.91Å; Y57-N60 VanDerWaalsContact O-N 3.08Å; Y57-E61 VanDerWaalsContact O-CG 3.3Å; Y57-E61 WeakPolarHBondContact O-CG 3.32Å; Y57-E61 PolarHBondContact O-N 2.87Å; Y57-I68 HydrophobicContact CD1-CB 4.47Å; Y57-I68 HydrophobicContact CD1-CG2 4.37Å; Y57-I68 HydrophobicContact CE1-CB 4.46Å; Y57-I68 HydrophobicContact CE1-CG2 4Å; Y57-R69 VanDerWaalsContact CB-NH2 3.29Å; Y57-R69 HydrophobicContact CD1-CB 3.83Å; Y57-R69 HydrophobicContact CD2-CB 4.23Å; Y57-R69 HydrophobicContact CD2-CG 4.09Å; Y57-R69 HydrophobicContact CE1-CB 3.95Å; Y57-R69 HydrophobicContact CE2-CB 4.31Å; Y57-R69 HydrophobicContact CE2-CG 4.02Å; Y57-R69 HydrophobicContact CG-CB 3.99Å; Y57-R69 HydrophobicContact CG-CG 4.34Å; Y57-D72 WeakPolarHBondContact CE1-OD2 3.48Å; Y57-D72 WeakPolarHBondContact OH-CB 3.37Å; Y57-D72 PolarHBondContact OH-OD2 3.39Å; Y57-W76 WeakPolarHBondContact OH-CH2 3.46Å |
| 58 | K | 96.1 | Very high | 94.9 | Very high | 92 Ų | 92 | 67.2 Ų | 67.2 | 40% | 0.4 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58 | -41 | -179.6 | -75.3 | 179.8 | -178.6 | 163.7 | 0 | 111.7 | E54 V55 N60 E61 Y62 | E54-K58 HydrophobicContact CG-CD 4.47Å; E54-K58 PolarHBondContact O-N 3Å; E54-K58 VanDerWaalsContact OE1-CE 3.23Å; E54-K58 WeakPolarHBondContact OE1-CE 3.48Å; E54-K58 IonicContact OE1-NZ 2.71Å; E54-K58 PolarHBondContact OE1-NZ 3.45Å; V55-K58 PolarHBondContact O-N 3.39Å; K58-N60 VanDerWaalsContact C-N 3.34Å; K58-N60 PolarHBondContact O-N 3.5Å; K58-E61 WeakPolarHBondContact CA-OE2 3.49Å; K58-E61 PolarHBondContact O-N 2.97Å; K58-Y62 HydrophobicContact CB-CD2 4.41Å; K58-Y62 HydrophobicContact CB-CE2 4.37Å; K58-Y62 WeakPolarHBondContact O-CB 3.28Å; K58-Y62 WeakPolarHBondContact O-CD2 3.31Å; K58-Y62 PolarHBondContact O-N 3.19Å |
| 59 | S | 94.6 | Very high | 94.9 | Very high | 54 Ų | 54 | 66.3 Ų | 66.3 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 178.4 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | V55 Y56 Y57 A63 | V55-S59 VanDerWaalsContact O-CB 3.28Å; V55-S59 WeakPolarHBondContact O-CB 3.45Å; V55-S59 PolarHBondContact O-N 3Å; V55-S59 PolarHBondContact O-OG 3.15Å; Y56-S59 PolarHBondContact O-N 2.92Å; Y57-S59 VanDerWaalsContact C-N 3.26Å; Y57-S59 PolarHBondContact O-N 2.98Å; S59-A63 PolarHBondContact O-N 2.79Å; S59-A63 VanDerWaalsContact O-N 3.11Å |
| 60 | N | 95.3 | Very high | 94.9 | Very high | 15 Ų | 15 | 68.5 Ų | 68.5 | 8% | 0.08 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 175.2 | -78.2 | -76.8 | 0 | 0 | 0 | 111.9 | F32 Y56 Y57 K58 Y62 A63 G64 V65 I68 | F32-N60 WeakPolarHBondContact CZ-ND2 3.28Å; Y56-N60 WeakPolarHBondContact CE2-ND2 3.44Å; Y56-N60 VanDerWaalsContact CZ-ND2 3.31Å; Y56-N60 PolarHBondContact O-N 3.25Å; Y56-N60 VanDerWaalsContact O-N 3.13Å; Y56-N60 PolarHBondContact O-ND2 2.9Å; Y57-N60 PolarHBondContact O-N 2.91Å; Y57-N60 VanDerWaalsContact O-N 3.08Å; K58-N60 VanDerWaalsContact C-N 3.34Å; K58-N60 PolarHBondContact O-N 3.5Å; N60-Y62 VanDerWaalsContact C-N 3.33Å; N60-Y62 PolarHBondContact O-N 3.47Å; N60-A63 CarbonylContact O-C 3.56Å; N60-A63 WeakPolarHBondContact O-CA 3.43Å; N60-A63 WeakPolarHBondContact O-CB 3.35Å; N60-A63 PolarHBondContact O-N 3.4Å; N60-G64 PolarHBondContact O-N 3.35Å; N60-V65 CarbonylContact C-O 3.45Å; N60-V65 HydrophobicContact CB-CB 4.23Å; N60-V65 WeakPolarHBondContact O-CA 3.47Å; N60-V65 PolarHBondContact O-N 3.24Å; N60-I68 HydrophobicContact CB-CD1 4.09Å |
| 61 | E | 95.4 | Very high | 94.9 | Very high | 47 Ų | 47 | 71 Ų | 71 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 175.6 | -68.5 | 170.6 | 139.9 | 0 | 0 | 111.3 | Y57 K58 A63 G64 Y66 R69 | Y57-E61 VanDerWaalsContact O-CG 3.3Å; Y57-E61 WeakPolarHBondContact O-CG 3.32Å; Y57-E61 PolarHBondContact O-N 2.87Å; K58-E61 WeakPolarHBondContact CA-OE2 3.49Å; K58-E61 PolarHBondContact O-N 2.97Å; E61-A63 VanDerWaalsContact C-N 3.28Å; E61-A63 PolarHBondContact O-N 3.33Å; E61-G64 PolarHBondContact O-N 3.2Å; E61-Y66 HydrophobicContact CB-CD1 4.03Å; E61-Y66 HydrophobicContact CB-CE1 3.78Å; E61-Y66 HydrophobicContact CG-CD1 3.95Å; E61-Y66 HydrophobicContact CG-CE1 4.2Å; E61-Y66 VanDerWaalsContact O-CE1 3.31Å; E61-Y66 WeakPolarHBondContact O-CE1 3.34Å; E61-Y66 PolarHBondContact O-OH 3.29Å; E61-R69 IonicContact OE1-CZ 3.34Å; E61-R69 IonicContact OE1-NH1 2.76Å; E61-R69 PolarHBondContact OE1-NH1 3.32Å; E61-R69 IonicContact OE1-NH2 3.48Å; E61-R69 PolarHBondContact OE1-NH2 3.43Å; E61-R69 IonicContact OE2-CZ 3.52Å; E61-R69 IonicContact OE2-NH1 3.43Å; E61-R69 PolarHBondContact OE2-NH1 3.35Å; E61-R69 IonicContact OE2-NH2 2.85Å; E61-R69 PolarHBondContact OE2-NH2 3.5Å |
| 62 | Y | 95.9 | Very high | 94.9 | Very high | 206 Ų | 206 | 66.8 Ų | 66.8 | 81% | 0.808 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.4 | -30.7 | 173.5 | -82.1 | -60.8 | 0 | 0 | 0 | 112.9 | K58 N60 G64 | K58-Y62 HydrophobicContact CB-CD2 4.41Å; K58-Y62 HydrophobicContact CB-CE2 4.37Å; K58-Y62 WeakPolarHBondContact O-CB 3.28Å; K58-Y62 WeakPolarHBondContact O-CD2 3.31Å; K58-Y62 PolarHBondContact O-N 3.19Å; N60-Y62 VanDerWaalsContact C-N 3.33Å; N60-Y62 PolarHBondContact O-N 3.47Å; Y62-G64 PolarHBondContact O-N 3.4Å |
| 63 | A | 94.4 | Very high | 94.8 | Very high | 77 Ų | 77 | 68.8 Ų | 68.8 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 2.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S59 N60 E61 | S59-A63 PolarHBondContact O-N 2.79Å; S59-A63 VanDerWaalsContact O-N 3.11Å; N60-A63 CarbonylContact O-C 3.56Å; N60-A63 WeakPolarHBondContact O-CA 3.43Å; N60-A63 WeakPolarHBondContact O-CB 3.35Å; N60-A63 PolarHBondContact O-N 3.4Å; E61-A63 VanDerWaalsContact C-N 3.28Å; E61-A63 PolarHBondContact O-N 3.33Å |
| 64 | G | 95.1 | Very high | 94.7 | Very high | 45 Ų | 45 | 74.2 Ų | 74.2 | 46% | 0.464 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N60 E61 Y62 Y66 | N60-G64 PolarHBondContact O-N 3.35Å; E61-G64 PolarHBondContact O-N 3.2Å; Y62-G64 PolarHBondContact O-N 3.4Å; G64-Y66 VanDerWaalsContact O-CD2 3.32Å; G64-Y66 WeakPolarHBondContact O-CD2 3.39Å |
| 65 | V | 94.3 | Very high | 94.5 | Very high | 71 Ų | 71 | 72.1 Ų | 72.1 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | trans | -95.3 | 96.5 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 109 | N60 I68 | N60-V65 CarbonylContact C-O 3.45Å; N60-V65 HydrophobicContact CB-CB 4.23Å; N60-V65 WeakPolarHBondContact O-CA 3.47Å; N60-V65 PolarHBondContact O-N 3.24Å; V65-I68 HydrophobicContact CG1-CD1 3.74Å; V65-I68 HydrophobicContact CG1-CG1 4.21Å | ||
| 66 | Y | 93.8 | Very high | 94.3 | Very high | 159 Ų | 159 | 69 Ų | 69 | 62% | 0.624 | 35% | 0.351 | S | S | * | . | trans | -99.4 | 171 | -179.7 | -56.2 | -77.1 | 0 | 0 | 0 | 112.1 | E61 G64 I68 | E61-Y66 HydrophobicContact CB-CD1 4.03Å; E61-Y66 HydrophobicContact CB-CE1 3.78Å; E61-Y66 HydrophobicContact CG-CD1 3.95Å; E61-Y66 HydrophobicContact CG-CE1 4.2Å; E61-Y66 VanDerWaalsContact O-CE1 3.31Å; E61-Y66 WeakPolarHBondContact O-CE1 3.34Å; E61-Y66 PolarHBondContact O-OH 3.29Å; G64-Y66 VanDerWaalsContact O-CD2 3.32Å; G64-Y66 WeakPolarHBondContact O-CD2 3.39Å; Y66-I68 VanDerWaalsContact C-N 3.32Å; Y66-I68 PolarHBondContact O-N 3.38Å | ||
| 67 | G | 93.5 | Very high | 93.9 | Very high | 31 Ų | 31 | 72.8 Ų | 72.8 | 32% | 0.32 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 87.2 | -15.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E70 K71 | G67-E70 VanDerWaalsContact CA-OE2 3.31Å; G67-E70 WeakPolarHBondContact CA-OE2 3.4Å; G67-K71 VanDerWaalsContact O-CB 3.28Å; G67-K71 WeakPolarHBondContact O-CB 3.35Å; G67-K71 PolarHBondContact O-N 2.92Å |
| 68 | I | 93.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 78.4 Ų | 78.4 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.5 | -47.2 | -179.2 | -52 | 177.7 | 0 | 0 | 0 | 110.8 | Y56 Y57 N60 V65 Y66 K71 D72 | Y56-I68 HydrophobicContact CE1-CG2 4.25Å; Y57-I68 HydrophobicContact CD1-CB 4.47Å; Y57-I68 HydrophobicContact CD1-CG2 4.37Å; Y57-I68 HydrophobicContact CE1-CB 4.46Å; Y57-I68 HydrophobicContact CE1-CG2 4Å; N60-I68 HydrophobicContact CB-CD1 4.09Å; V65-I68 HydrophobicContact CG1-CD1 3.74Å; V65-I68 HydrophobicContact CG1-CG1 4.21Å; Y66-I68 VanDerWaalsContact C-N 3.32Å; Y66-I68 PolarHBondContact O-N 3.38Å; I68-K71 PolarHBondContact O-N 2.89Å; I68-D72 WeakPolarHBondContact O-CB 3.36Å; I68-D72 VanDerWaalsContact O-CG 3.24Å; I68-D72 PolarHBondContact O-N 3.11Å |
| 69 | R | 94.3 | Very high | 91.8 | Very high | 73 Ų | 73 | 81 Ų | 81 | 28% | 0.275 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 179.8 | -177.8 | -172 | -69.7 | 132.8 | 6.2 | 111.5 | Y57 E61 D72 L73 | Y57-R69 VanDerWaalsContact CB-NH2 3.29Å; Y57-R69 HydrophobicContact CD1-CB 3.83Å; Y57-R69 HydrophobicContact CD2-CB 4.23Å; Y57-R69 HydrophobicContact CD2-CG 4.09Å; Y57-R69 HydrophobicContact CE1-CB 3.95Å; Y57-R69 HydrophobicContact CE2-CB 4.31Å; Y57-R69 HydrophobicContact CE2-CG 4.02Å; Y57-R69 HydrophobicContact CG-CB 3.99Å; Y57-R69 HydrophobicContact CG-CG 4.34Å; E61-R69 IonicContact OE1-CZ 3.34Å; E61-R69 IonicContact OE1-NH1 2.76Å; E61-R69 PolarHBondContact OE1-NH1 3.32Å; E61-R69 IonicContact OE1-NH2 3.48Å; E61-R69 PolarHBondContact OE1-NH2 3.43Å; E61-R69 IonicContact OE2-CZ 3.52Å; E61-R69 IonicContact OE2-NH1 3.43Å; E61-R69 PolarHBondContact OE2-NH1 3.35Å; E61-R69 IonicContact OE2-NH2 2.85Å; E61-R69 PolarHBondContact OE2-NH2 3.5Å; R69-D72 PolarHBondContact O-N 3.02Å; R69-L73 HydrophobicContact CG-CD1 3.99Å; R69-L73 HydrophobicContact CG-CG 4.48Å; R69-L73 WeakPolarHBondContact O-CG 3.42Å; R69-L73 PolarHBondContact O-N 3Å |
| 70 | E | 94.1 | Very high | 89.9 | Confident | 134 Ų | 134 | 89.2 Ų | 89.2 | 63% | 0.626 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | -177.3 | -66.5 | 154.9 | 100.5 | 0 | 0 | 110.9 | G67 D72 L73 E74 | G67-E70 VanDerWaalsContact CA-OE2 3.31Å; G67-E70 WeakPolarHBondContact CA-OE2 3.4Å; E70-D72 VanDerWaalsContact C-N 3.34Å; E70-D72 PolarHBondContact O-N 3.3Å; E70-L73 PolarHBondContact O-N 3.43Å; E70-E74 WeakPolarHBondContact O-CB 3.45Å; E70-E74 PolarHBondContact O-N 3.42Å |
| 71 | K | 93.8 | Very high | 89.6 | Confident | 121 Ų | 121 | 93 Ų | 93 | 53% | 0.526 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 175.6 | -171.3 | -174.3 | 177.8 | 68.3 | 0 | 111.8 | G67 I68 E74 D75 | G67-K71 VanDerWaalsContact O-CB 3.28Å; G67-K71 WeakPolarHBondContact O-CB 3.35Å; G67-K71 PolarHBondContact O-N 2.92Å; I68-K71 PolarHBondContact O-N 2.89Å; K71-E74 PolarHBondContact O-N 2.98Å; K71-D75 WeakPolarHBondContact O-CB 3.23Å; K71-D75 PolarHBondContact O-N 3.08Å |
| 72 | D | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 95.4 Ų | 95.4 | 0% | 0 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 179 | -76 | -15.8 | 0 | 0 | 0 | 111.6 | Q39 R42 Y57 I68 R69 E70 D75 W76 | Q39-D72 VanDerWaalsContact CG-OD1 3.24Å; Q39-D72 WeakPolarHBondContact CG-OD1 3.32Å; Q39-D72 PolarHBondContact NE2-OD1 2.71Å; R42-D72 WeakPolarHBondContact CD-OD2 3.4Å; R42-D72 IonicContact CZ-OD1 3.5Å; R42-D72 IonicContact CZ-OD2 3.43Å; R42-D72 IonicContact NE-OD1 3.37Å; R42-D72 PolarHBondContact NE-OD1 3.37Å; R42-D72 IonicContact NE-OD2 2.65Å; R42-D72 PolarHBondContact NE-OD2 2.93Å; R42-D72 IonicContact NH2-OD1 2.76Å; R42-D72 PolarHBondContact NH2-OD1 2.98Å; R42-D72 IonicContact NH2-OD2 3.45Å; R42-D72 PolarHBondContact NH2-OD2 3.32Å; Y57-D72 WeakPolarHBondContact CE1-OD2 3.48Å; Y57-D72 WeakPolarHBondContact OH-CB 3.37Å; Y57-D72 PolarHBondContact OH-OD2 3.39Å; I68-D72 WeakPolarHBondContact O-CB 3.36Å; I68-D72 VanDerWaalsContact O-CG 3.24Å; I68-D72 PolarHBondContact O-N 3.11Å; R69-D72 PolarHBondContact O-N 3.02Å; E70-D72 VanDerWaalsContact C-N 3.34Å; E70-D72 PolarHBondContact O-N 3.3Å; D72-D75 PolarHBondContact O-N 3.4Å; D72-W76 HydrophobicContact CB-CD2 4.48Å; D72-W76 HydrophobicContact CB-CH2 3.85Å; D72-W76 HydrophobicContact CB-CZ2 3.71Å; D72-W76 HydrophobicContact CB-CZ3 4.27Å; D72-W76 WeakPolarHBondContact O-CB 3.35Å; D72-W76 PolarHBondContact O-N 2.91Å |
| 73 | L | 92.3 | Very high | 88.9 | Confident | 94 Ų | 94 | 89.2 Ų | 89.2 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 177.6 | -70.5 | 172.2 | 0 | 0 | 0 | 112.4 | R69 E70 W76 S77 | R69-L73 HydrophobicContact CG-CD1 3.99Å; R69-L73 HydrophobicContact CG-CG 4.48Å; R69-L73 WeakPolarHBondContact O-CG 3.42Å; R69-L73 PolarHBondContact O-N 3Å; E70-L73 PolarHBondContact O-N 3.43Å; L73-W76 HydrophobicContact CD2-CE3 4.4Å; L73-W76 PolarHBondContact O-N 3.06Å; L73-S77 VanDerWaalsContact O-CB 3.3Å; L73-S77 WeakPolarHBondContact O-CB 3.45Å; L73-S77 PolarHBondContact O-N 2.9Å |
| 74 | E | 93.4 | Very high | 88.6 | Confident | 114 Ų | 114 | 89.9 Ų | 89.9 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 177.9 | -176.2 | -177.1 | 95.7 | 0 | 0 | 111.2 | E70 K71 W76 S77 K78 | E70-E74 WeakPolarHBondContact O-CB 3.45Å; E70-E74 PolarHBondContact O-N 3.42Å; K71-E74 PolarHBondContact O-N 2.98Å; E74-W76 VanDerWaalsContact C-N 3.34Å; E74-W76 PolarHBondContact O-N 3.04Å; E74-S77 PolarHBondContact O-N 3.35Å; E74-K78 VanDerWaalsContact CD-NZ 3.27Å; E74-K78 HydrophobicContact CG-CD 4.37Å; E74-K78 VanDerWaalsContact CG-CE 3.49Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.44Å; E74-K78 PolarHBondContact O-N 3.02Å; E74-K78 VanDerWaalsContact O-N 3.14Å; E74-K78 IonicContact OE1-NZ 2.67Å; E74-K78 PolarHBondContact OE1-NZ 3.26Å |
| 75 | D | 92.4 | Very high | 88.2 | Confident | 48 Ų | 48 | 92.8 Ų | 92.8 | 26% | 0.257 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.2 | -31.9 | -179.7 | -75.8 | -29.8 | 0 | 0 | 0 | 112.6 | Q39 K71 D72 | Q39-D75 PolarHBondContact NE2-OD2 3.32Å; Q39-D75 PolarHBondContact OE1-OD2 3.21Å; K71-D75 WeakPolarHBondContact O-CB 3.23Å; K71-D75 PolarHBondContact O-N 3.08Å; D72-D75 PolarHBondContact O-N 3.4Å |
| 76 | W | 91.3 | Very high | 87.8 | Confident | 26 Ų | 26 | 94.2 Ų | 94.2 | 10% | 0.098 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -73.9 | -39 | 175.4 | -60 | -14.9 | 0 | 0 | 0 | 111.8 | R42 N43 N46 L53 Y57 D72 L73 E74 K78 K79 | R42-W76 HydrophobicContact CB-CH2 4.27Å; R42-W76 HydrophobicContact CB-CZ2 4Å; N43-W76 HydrophobicContact CB-CD2 4.21Å; N43-W76 VanDerWaalsContact CB-CE2 3.48Å; N43-W76 HydrophobicContact CB-CH2 4.45Å; N43-W76 HydrophobicContact CB-CZ2 3.64Å; N46-W76 HydrophobicContact CB-CH2 4.01Å; N46-W76 HydrophobicContact CB-CZ3 3.8Å; L53-W76 HydrophobicContact CD2-CH2 3.98Å; L53-W76 HydrophobicContact CD2-CZ3 4.39Å; Y57-W76 WeakPolarHBondContact OH-CH2 3.46Å; D72-W76 HydrophobicContact CB-CD2 4.48Å; D72-W76 HydrophobicContact CB-CH2 3.85Å; D72-W76 HydrophobicContact CB-CZ2 3.71Å; D72-W76 HydrophobicContact CB-CZ3 4.27Å; D72-W76 WeakPolarHBondContact O-CB 3.35Å; D72-W76 PolarHBondContact O-N 2.91Å; L73-W76 HydrophobicContact CD2-CE3 4.4Å; L73-W76 PolarHBondContact O-N 3.06Å; E74-W76 VanDerWaalsContact C-N 3.34Å; E74-W76 PolarHBondContact O-N 3.04Å; W76-K78 VanDerWaalsContact C-N 3.25Å; W76-K78 PolarHBondContact O-N 3.03Å; W76-K79 PolarHBondContact O-N 3.06Å; W76-K79 VanDerWaalsContact O-N 3.13Å |
| 77 | S | 86.8 | Confident | 87.4 | Confident | 81 Ų | 81 | 89.6 Ų | 89.6 | 57% | 0.566 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.4 | -25.3 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 113.2 | L73 E74 K79 | L73-S77 VanDerWaalsContact O-CB 3.3Å; L73-S77 WeakPolarHBondContact O-CB 3.45Å; L73-S77 PolarHBondContact O-N 2.9Å; E74-S77 PolarHBondContact O-N 3.35Å; S77-K79 VanDerWaalsContact C-N 3.34Å |
| 78 | K | 82.4 | Confident | 86.9 | Confident | 131 Ų | 131 | 94.1 Ų | 94.1 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13.1 | 174.4 | -71.4 | 169.1 | -173.2 | 163.3 | 0 | 113.8 | E74 W76 | E74-K78 VanDerWaalsContact CD-NZ 3.27Å; E74-K78 HydrophobicContact CG-CD 4.37Å; E74-K78 VanDerWaalsContact CG-CE 3.49Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.44Å; E74-K78 PolarHBondContact O-N 3.02Å; E74-K78 VanDerWaalsContact O-N 3.14Å; E74-K78 IonicContact OE1-NZ 2.67Å; E74-K78 PolarHBondContact OE1-NZ 3.26Å; W76-K78 VanDerWaalsContact C-N 3.25Å; W76-K78 PolarHBondContact O-N 3.03Å |
| 79 | K | 66.6 | Low | 86.3 | Confident | 145 Ų | 145 | 99.6 Ų | 99.6 | 63% | 0.63 | 47% | 0.47 | S | S | * | . | trans | -87 | -12.4 | 178.4 | -96.9 | 178.4 | 176 | 175.4 | 0 | 112.6 | D40 W76 S77 | D40-K79 IonicContact OD1-NZ 3.22Å; D40-K79 PolarHBondContact OD1-NZ 3.39Å; W76-K79 PolarHBondContact O-N 3.06Å; W76-K79 VanDerWaalsContact O-N 3.13Å; S77-K79 VanDerWaalsContact C-N 3.34Å | ||
| 80 | E | 54.1 | Low | 85.6 | Confident | 228 Ų | 228 | 102 Ų | 102 | 100% | 1.065 | 49% | 0.488 | S | S | * | . | trans | -90.1 | 0 | 170.5 | -63.1 | -165.8 | 101.5 | 0 | 0 | 111.4 |
Retrieved 80 of 80 residues in 48.3 ms
(Link to these results)