| 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 | 40.9 | Very low | 37.7 | Very low | 240 Ų | 240 | 128.2 Ų | 128.2 | 100% | 1.182 | 69% | 0.693 | S | S | * | * | 0 | 151.3 | 0 | -59 | -172.6 | -151.8 | 0 | 0 | 107.8 | |||||
| 2 | P | 40.5 | Very low | 37.1 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | trans | -78.8 | 155.7 | -164.7 | 31.7 | -36.4 | 0 | 0 | 0 | 113.9 | V4 | P2-V4 HydrophobicContact CB-CG2 4.21Å; P2-V4 HydrophobicContact CG-CG2 4.25Å; P2-V4 PolarHBondContact O-N 3.37Å | ||
| 3 | P | 41 | Very low | 36.7 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 32.5 | -171 | 35.4 | -38.9 | 0 | 0 | 0 | 114.6 | ||
| 4 | V | 41.7 | Very low | 36.4 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 58% | 0.576 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -72.9 | -33.2 | -172.5 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | P2 C6 | P2-V4 HydrophobicContact CB-CG2 4.21Å; P2-V4 HydrophobicContact CG-CG2 4.25Å; P2-V4 PolarHBondContact O-N 3.37Å; V4-C6 PolarHBondContact O-N 2.99Å |
| 5 | L | 40 | Very low | 36.2 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72.6 | -26.7 | -172 | -141.9 | 74.2 | 0 | 0 | 0 | 113.9 | ||
| 6 | C | 36.8 | Very low | 35.9 | Very low | 87 Ų | 87 | 125.5 Ų | 125.5 | 59% | 0.588 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -77.9 | -27.7 | -178.3 | -62.9 | 0 | 0 | 0 | 0 | 113.5 | V4 L10 | V4-C6 PolarHBondContact O-N 2.99Å; C6-L10 PolarHBondContact O-N 2.85Å |
| 7 | L | 37.5 | Very low | 36.3 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 57% | 0.571 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -68.8 | -38.2 | 176.7 | -98 | 84 | 0 | 0 | 0 | 112 | M9 L10 F11 | L7-M9 VanDerWaalsContact C-N 3.33Å; L7-M9 PolarHBondContact O-N 2.94Å; L7-L10 PolarHBondContact O-N 2.91Å; L7-F11 PolarHBondContact O-N 3.45Å |
| 8 | L | 35.8 | Very low | 36.8 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -66.1 | -35 | 179.4 | -73.6 | 165.6 | 0 | 0 | 0 | 112.4 | G12 | L8-G12 PolarHBondContact O-N 3.22Å |
| 9 | M | 34 | Very low | 37.8 | Very low | 153 Ų | 153 | 128 Ų | 128 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -66.4 | -34.4 | 172.2 | -73.9 | -72.8 | -159.3 | 0 | 0 | 112.9 | L7 | L7-M9 VanDerWaalsContact C-N 3.33Å; L7-M9 PolarHBondContact O-N 2.94Å |
| 10 | L | 34 | Very low | 39.5 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 58% | 0.581 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -78 | -33.2 | -178.9 | -81.9 | 163.7 | 0 | 0 | 0 | 113.2 | C6 L7 G12 A13 | C6-L10 PolarHBondContact O-N 2.85Å; L7-L10 PolarHBondContact O-N 2.91Å; L10-G12 VanDerWaalsContact C-N 3.32Å; L10-A13 PolarHBondContact O-N 2.76Å |
| 11 | F | 32.3 | Very low | 41.8 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 60% | 0.601 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.7 | -33.6 | 171.5 | -92.6 | -86.3 | 0 | 0 | 0 | 112.5 | L7 A13 | L7-F11 PolarHBondContact O-N 3.45Å; F11-A13 PolarHBondContact O-N 2.03Å |
| 12 | G | 31.3 | Very low | 44.2 | Very low | 70 Ų | 70 | 110.6 Ų | 110.6 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -5.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L8 L10 | L8-G12 PolarHBondContact O-N 3.22Å; L10-G12 VanDerWaalsContact C-N 3.32Å |
| 13 | A | 31.3 | Very low | 46.5 | Very low | 82 Ų | 82 | 111 Ų | 111 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L10 F11 | L10-A13 PolarHBondContact O-N 2.76Å; F11-A13 PolarHBondContact O-N 2.03Å |
| 14 | L | 32.7 | Very low | 49 | Very low | 128 Ų | 128 | 112.1 Ų | 112.1 | 67% | 0.67 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -10.5 | -178.4 | -84.3 | 164.3 | 0 | 0 | 0 | 114.2 | ||
| 15 | W | 33.5 | Very low | 51.5 | Low | 210 Ų | 210 | 111.5 Ų | 111.5 | 80% | 0.795 | 60% | 0.603 | S | S | * | * | trans | -104.7 | 79.4 | 176 | -75.3 | 4.5 | 0 | 0 | 0 | 111.3 | ||||
| 16 | S | 31.8 | Very low | 54.1 | Low | 108 Ų | 108 | 105.3 Ų | 105.3 | 76% | 0.755 | 57% | 0.57 | S | S | * | * | trans | -124.4 | 48.8 | 150.8 | -167.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 17 | Y | 42.2 | Very low | 56.8 | Low | 180 Ų | 180 | 104.1 Ų | 104.1 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 132.2 | 147.6 | -67.7 | -89.3 | 0 | 0 | 0 | 105.8 | E19 | Y17-E19 PolarHBondContact O-N 3.49Š|
| 18 | G | 45 | Very low | 59.7 | Low | 59 Ų | 59 | 104.9 Ų | 104.9 | 61% | 0.608 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 123.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | A20 | G18-A20 PolarHBondContact O-N 3.42Å; G18-A20 VanDerWaalsContact O-N 3.17Å |
| 19 | E | 56.3 | Low | 62.6 | Low | 185 Ų | 185 | 99 Ų | 99 | 86% | 0.864 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 123.2 | 179 | -74.1 | 179.7 | 114.7 | 0 | 0 | 108.1 | Y17 M21 | Y17-E19 PolarHBondContact O-N 3.49Å; E19-M21 PolarHBondContact O-N 2.92Å |
| 20 | A | 71.7 | Confident | 65.6 | Low | 70 Ų | 70 | 93.3 Ų | 93.3 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 120.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107 | G18 S22 P397 | G18-A20 PolarHBondContact O-N 3.42Å; G18-A20 VanDerWaalsContact O-N 3.17Å; A20-S22 PolarHBondContact O-N 3.31Å; A20-P397 HydrophobicContact CB-CB 4.1Å; A20-P397 HydrophobicContact CB-CG 4.09Å |
| 21 | M | 88.1 | Confident | 68.6 | Low | 20 Ų | 20 | 92 Ų | 92 | 10% | 0.099 | 49% | 0.488 | C | S | . | . | trans | -41.5 | 125.5 | 179.3 | -177.2 | -179 | -68.3 | 0 | 0 | 110.7 | E19 E25 K26 F29 L400 R404 F451 | E19-M21 PolarHBondContact O-N 2.92Å; M21-E25 HydrophobicContact CG-CB 3.5Å; M21-E25 HydrophobicContact SD-CB 4.46Å; M21-K26 HydrophobicContact CG-CG 4.15Å; M21-K26 HydrophobicContact SD-CG 3.89Å; M21-F29 HydrophobicContact CE-CD2 3.86Å; M21-F29 HydrophobicContact CE-CE2 3.68Å; M21-F29 HydrophobicContact SD-CD2 3.56Å; M21-F29 VanDerWaalsContact SD-CD2 3.56Å; M21-F29 HydrophobicContact SD-CE2 3.86Å; M21-L400 HydrophobicContact CB-CD1 4.02Å; M21-L400 HydrophobicContact CE-CB 3.8Å; M21-L400 HydrophobicContact SD-CB 4.01Å; M21-L400 HydrophobicContact SD-CD1 4.36Å; M21-R404 HydrophobicContact CE-CB 4.4Å; M21-F451 HydrophobicContact CE-CE1 4.06Å; M21-F451 HydrophobicContact SD-CD1 4.09Å; M21-F451 HydrophobicContact SD-CE1 3.78Å | ||
| 22 | S | 90.7 | Very high | 71.8 | Confident | 40 Ų | 40 | 87.5 Ų | 87.5 | 28% | 0.28 | 47% | 0.468 | S | S | . | . | trans | -66.6 | 161.8 | -173.3 | 102.3 | 0 | 0 | 0 | 0 | 111.3 | A20 E24 E25 K26 | A20-S22 PolarHBondContact O-N 3.31Å; S22-E24 VanDerWaalsContact CB-OE2 3.31Å; S22-E24 WeakPolarHBondContact CB-OE2 3.05Å; S22-E24 PolarHBondContact O-N 3.05Å; S22-E24 PolarHBondContact OG-N 3.01Å; S22-E24 PolarHBondContact OG-OE2 2.7Å; S22-E25 PolarHBondContact N-OE2 2.67Å; S22-E25 PolarHBondContact O-N 2.75Å; S22-E25 VanDerWaalsContact O-N 3.08Å; S22-E25 PolarHBondContact OG-N 3.29Å; S22-E25 VanDerWaalsContact OG-N 3.15Å; S22-K26 PolarHBondContact O-N 2.96Å | ||
| 23 | R | 89.8 | Confident | 75 | Confident | 112 Ų | 112 | 84.1 Ų | 84.1 | 42% | 0.423 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 175.7 | -167.1 | -178.4 | -171.5 | 175.7 | 8.1 | 110.8 | E25 K26 Q27 E453 E455 | R23-E25 VanDerWaalsContact C-N 3.34Å; R23-K26 PolarHBondContact O-N 3.07Å; R23-Q27 WeakPolarHBondContact O-CB 3.39Å; R23-Q27 WeakPolarHBondContact O-CG 3.45Å; R23-Q27 PolarHBondContact O-N 2.74Å; R23-E453 HydrophobicContact CG-CG 4.25Å; R23-E455 IonicContact CZ-OE1 3.51Å; R23-E455 IonicContact CZ-OE2 2.67Å; R23-E455 IonicContact NH1-OE1 2.78Å; R23-E455 IonicContact NH2-OE1 2.67Å; R23-E455 PolarHBondContact NH2-OE1 2.95Å; R23-E455 IonicContact NH2-OE2 3.56Å; R23-E455 PolarHBondContact NH2-OE2 2.86Å |
| 24 | E | 92.6 | Very high | 78.2 | Confident | 131 Ų | 131 | 81.7 Ų | 81.7 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.2 | -36.1 | 175.5 | -55.1 | 74.8 | -165.8 | 0 | 0 | 111.9 | S22 K28 | S22-E24 VanDerWaalsContact CB-OE2 3.31Å; S22-E24 WeakPolarHBondContact CB-OE2 3.05Å; S22-E24 PolarHBondContact O-N 3.05Å; S22-E24 PolarHBondContact OG-N 3.01Å; S22-E24 PolarHBondContact OG-OE2 2.7Å; E24-K28 WeakPolarHBondContact O-CB 3.03Å; E24-K28 PolarHBondContact O-N 2.81Å |
| 25 | E | 93.8 | Very high | 81.3 | Confident | 81 Ų | 81 | 79.8 Ų | 79.8 | 38% | 0.379 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71 | -45.5 | 173.2 | -67.8 | -175.9 | 117.8 | 0 | 0 | 112.3 | M21 S22 R23 Q27 K28 F29 | M21-E25 HydrophobicContact CG-CB 3.5Å; M21-E25 HydrophobicContact SD-CB 4.46Å; S22-E25 PolarHBondContact N-OE2 2.67Å; S22-E25 PolarHBondContact O-N 2.75Å; S22-E25 VanDerWaalsContact O-N 3.08Å; S22-E25 PolarHBondContact OG-N 3.29Å; S22-E25 VanDerWaalsContact OG-N 3.15Å; R23-E25 VanDerWaalsContact C-N 3.34Å; E25-Q27 VanDerWaalsContact C-N 3.35Å; E25-Q27 PolarHBondContact O-N 3.14Å; E25-K28 WeakPolarHBondContact O-CB 3.47Å; E25-K28 PolarHBondContact O-N 3.19Å; E25-K28 VanDerWaalsContact O-N 3.14Å; E25-F29 HydrophobicContact CB-CE2 4.41Å; E25-F29 WeakPolarHBondContact O-CD2 3.07Å; E25-F29 PolarHBondContact O-N 3.28Å |
| 26 | K | 94.4 | Very high | 84.4 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.043 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.8 | -50.2 | 171.7 | -85.4 | -168.2 | 67.3 | -164.2 | 0 | 110.9 | M21 S22 R23 K28 F29 R30 L400 F451 A452 E453 | M21-K26 HydrophobicContact CG-CG 4.15Å; M21-K26 HydrophobicContact SD-CG 3.89Å; S22-K26 PolarHBondContact O-N 2.96Å; R23-K26 PolarHBondContact O-N 3.07Å; K26-K28 VanDerWaalsContact C-N 3.3Å; K26-K28 PolarHBondContact O-N 2.57Å; K26-F29 PolarHBondContact O-N 2.88Å; K26-F29 VanDerWaalsContact O-N 3.16Å; K26-R30 WeakPolarHBondContact O-CB 3.38Å; K26-R30 PolarHBondContact O-N 2.85Å; K26-L400 HydrophobicContact CD-CD1 4Å; K26-L400 HydrophobicContact CD-CD2 4.43Å; K26-L400 HydrophobicContact CG-CD1 4.18Å; K26-F451 VanDerWaalsContact CE-O 3.24Å; K26-F451 WeakPolarHBondContact CE-O 3.4Å; K26-F451 HydrophobicContact CG-CD1 4.48Å; K26-A452 PolarHBondContact NZ-O 2.9Å; K26-E453 WeakPolarHBondContact CD-OE1 3.46Å; K26-E453 VanDerWaalsContact CE-OE1 3.29Å; K26-E453 WeakPolarHBondContact CE-OE1 3.28Å; K26-E453 IonicContact NZ-OE1 3.49Å; K26-E453 PolarHBondContact NZ-OE1 2.88Å; K26-E453 IonicContact NZ-OE2 2.83Å; K26-E453 PolarHBondContact NZ-OE2 2.83Å |
| 27 | Q | 95 | Very high | 87.6 | Confident | 63 Ų | 63 | 64.6 Ų | 64.6 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.3 | -36.9 | 176.7 | -73.2 | -178.9 | -17.2 | 0 | 0 | 112.7 | R23 E25 N31 | R23-Q27 WeakPolarHBondContact O-CB 3.39Å; R23-Q27 WeakPolarHBondContact O-CG 3.45Å; R23-Q27 PolarHBondContact O-N 2.74Å; E25-Q27 VanDerWaalsContact C-N 3.35Å; E25-Q27 PolarHBondContact O-N 3.14Å; Q27-N31 WeakPolarHBondContact O-CB 3.36Å; Q27-N31 PolarHBondContact O-N 3.47Å; Q27-N31 PolarHBondContact O-ND2 2.91Å |
| 28 | K | 96.8 | Very high | 90.3 | Very high | 124 Ų | 124 | 59 Ų | 59 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 173.1 | -179.8 | -160.7 | 168.2 | -154.2 | 0 | 111.3 | E24 E25 K26 N31 Q32 | E24-K28 WeakPolarHBondContact O-CB 3.03Å; E24-K28 PolarHBondContact O-N 2.81Å; E25-K28 WeakPolarHBondContact O-CB 3.47Å; E25-K28 PolarHBondContact O-N 3.19Å; E25-K28 VanDerWaalsContact O-N 3.14Å; K26-K28 VanDerWaalsContact C-N 3.3Å; K26-K28 PolarHBondContact O-N 2.57Å; K28-N31 PolarHBondContact O-N 2.89Å; K28-Q32 PolarHBondContact O-N 3.19Å |
| 29 | F | 97.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 179 | -69.1 | -62.3 | 0 | 0 | 0 | 111.8 | M21 E25 K26 N31 Q32 V33 R404 L407 F451 | M21-F29 HydrophobicContact CE-CD2 3.86Å; M21-F29 HydrophobicContact CE-CE2 3.68Å; M21-F29 HydrophobicContact SD-CD2 3.56Å; M21-F29 VanDerWaalsContact SD-CD2 3.56Å; M21-F29 HydrophobicContact SD-CE2 3.86Å; E25-F29 HydrophobicContact CB-CE2 4.41Å; E25-F29 WeakPolarHBondContact O-CD2 3.07Å; E25-F29 PolarHBondContact O-N 3.28Å; K26-F29 PolarHBondContact O-N 2.88Å; K26-F29 VanDerWaalsContact O-N 3.16Å; F29-N31 VanDerWaalsContact C-N 3.34Å; F29-N31 PolarHBondContact O-N 3.32Å; F29-Q32 CarbonylContact O-C 3.57Å; F29-Q32 WeakPolarHBondContact O-CA 3.37Å; F29-Q32 WeakPolarHBondContact O-CB 3.34Å; F29-Q32 PolarHBondContact O-N 3.18Å; F29-V33 WeakPolarHBondContact O-CG2 3.4Å; F29-V33 PolarHBondContact O-N 3.01Å; F29-R404 HydrophobicContact CE1-CG 3.82Å; F29-R404 HydrophobicContact CE2-CG 4.38Å; F29-R404 HydrophobicContact CZ-CG 3.73Å; F29-L407 HydrophobicContact CB-CD1 4.05Å; F29-L407 HydrophobicContact CD1-CD1 4.17Å; F29-L407 HydrophobicContact CG-CD1 4.47Å; F29-F451 HydrophobicContact CB-CB 4.4Å; F29-F451 HydrophobicContact CB-CD1 3.79Å; F29-F451 HydrophobicContact CB-CD2 4.02Å; F29-F451 HydrophobicContact CB-CE1 4.05Å; F29-F451 HydrophobicContact CB-CE2 4.28Å; F29-F451 HydrophobicContact CB-CG 3.79Å; F29-F451 HydrophobicContact CB-CZ 4.3Å; F29-F451 HydrophobicContact CD2-CE1 4.35Å; F29-F451 HydrophobicContact CG-CE1 4.4Å |
| 30 | R | 97 | Very high | 94.8 | Very high | 35 Ų | 35 | 49 Ų | 49 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.3 | -47.2 | 170.6 | -173.6 | -152.9 | 70.6 | -159.5 | 10.9 | 111.9 | K26 Q32 V33 V34 F448 F451 D456 | K26-R30 WeakPolarHBondContact O-CB 3.38Å; K26-R30 PolarHBondContact O-N 2.85Å; R30-Q32 VanDerWaalsContact C-N 3.3Å; R30-Q32 PolarHBondContact O-N 2.7Å; R30-V33 WeakPolarHBondContact O-CB 3.44Å; R30-V33 PolarHBondContact O-N 3.19Å; R30-V34 WeakPolarHBondContact O-CG2 3.32Å; R30-V34 PolarHBondContact O-N 3.22Å; R30-V34 VanDerWaalsContact O-N 3.13Å; R30-F448 HydrophobicContact CG-CD2 3.78Å; R30-F448 HydrophobicContact CG-CE2 3.65Å; R30-F451 HydrophobicContact CB-CB 3.85Å; R30-D456 WeakPolarHBondContact CD-OD2 3.49Å; R30-D456 IonicContact CZ-OD1 2.78Å; R30-D456 IonicContact CZ-OD2 3.56Å; R30-D456 IonicContact NE-OD2 2.66Å; R30-D456 IonicContact NH1-OD1 2.68Å; R30-D456 PolarHBondContact NH1-OD1 3.37Å; R30-D456 IonicContact NH1-OD2 3.64Å; R30-D456 PolarHBondContact NH1-OD2 3.3Å |
| 31 | N | 97.7 | Very high | 96.1 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.6 | -32.3 | 176 | -69.2 | -19.7 | 0 | 0 | 0 | 112.5 | Q27 K28 F29 V34 E35 | Q27-N31 WeakPolarHBondContact O-CB 3.36Å; Q27-N31 PolarHBondContact O-N 3.47Å; Q27-N31 PolarHBondContact O-ND2 2.91Å; K28-N31 PolarHBondContact O-N 2.89Å; F29-N31 VanDerWaalsContact C-N 3.34Å; F29-N31 PolarHBondContact O-N 3.32Å; N31-V34 PolarHBondContact O-N 3.23Å; N31-E35 PolarHBondContact O-N 2.77Å |
| 32 | Q | 98.1 | Very high | 96.6 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.2 | -36.8 | 172.5 | -173.7 | 177.3 | -18.9 | 0 | 0 | 111.6 | K28 F29 R30 E35 M36 N411 | K28-Q32 PolarHBondContact O-N 3.19Å; F29-Q32 CarbonylContact O-C 3.57Å; F29-Q32 WeakPolarHBondContact O-CA 3.37Å; F29-Q32 WeakPolarHBondContact O-CB 3.34Å; F29-Q32 PolarHBondContact O-N 3.18Å; R30-Q32 VanDerWaalsContact C-N 3.3Å; R30-Q32 PolarHBondContact O-N 2.7Å; Q32-E35 PolarHBondContact O-N 3.42Å; Q32-M36 HydrophobicContact CG-SD 4.28Å; Q32-M36 WeakPolarHBondContact O-CB 3.27Å; Q32-M36 WeakPolarHBondContact O-CG 3.06Å; Q32-M36 PolarHBondContact O-N 2.77Å; Q32-N411 PolarHBondContact NE2-ND2 2.71Å |
| 33 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -48.6 | 170.1 | -177 | 0 | 0 | 0 | 0 | 110.7 | F29 R30 E35 M36 F37 L407 F444 L447 F448 F451 | F29-V33 WeakPolarHBondContact O-CG2 3.4Å; F29-V33 PolarHBondContact O-N 3.01Å; R30-V33 WeakPolarHBondContact O-CB 3.44Å; R30-V33 PolarHBondContact O-N 3.19Å; V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 3.13Å; V33-M36 PolarHBondContact O-N 3.36Å; V33-F37 WeakPolarHBondContact O-CB 3.48Å; V33-F37 PolarHBondContact O-N 3.04Å; V33-L407 HydrophobicContact CG2-CD1 4.06Å; V33-L407 HydrophobicContact CG2-CD2 3.87Å; V33-F444 HydrophobicContact CG1-CB 4.21Å; V33-F444 HydrophobicContact CG1-CD1 3.97Å; V33-L447 HydrophobicContact CG1-CB 4.26Å; V33-L447 HydrophobicContact CG2-CB 4.04Å; V33-F448 HydrophobicContact CG1-CB 3.98Å; V33-F451 HydrophobicContact CG2-CD2 4.25Å |
| 34 | V | 98.4 | Very high | 97.3 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | R30 N31 F37 D38 L94 F448 | R30-V34 WeakPolarHBondContact O-CG2 3.32Å; R30-V34 PolarHBondContact O-N 3.22Å; R30-V34 VanDerWaalsContact O-N 3.13Å; N31-V34 PolarHBondContact O-N 3.23Å; V34-F37 PolarHBondContact O-N 3.19Å; V34-D38 WeakPolarHBondContact O-CB 3.18Å; V34-D38 PolarHBondContact O-N 3.49Å; V34-L94 HydrophobicContact CG2-CD2 4.39Å; V34-F448 HydrophobicContact CG2-CD2 4.06Å; V34-F448 HydrophobicContact CG2-CE2 3.99Å |
| 35 | E | 98.3 | Very high | 97.6 | Very high | 88 Ų | 88 | 38 Ų | 38 | 41% | 0.411 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.3 | -40 | 176.4 | -171.8 | -84.8 | 155.3 | 0 | 0 | 112.9 | N31 Q32 V33 D38 H39 R415 | N31-E35 PolarHBondContact O-N 2.77Å; Q32-E35 PolarHBondContact O-N 3.42Å; V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 3.13Å; E35-D38 PolarHBondContact O-N 3.45Å; E35-H39 WeakPolarHBondContact O-CB 3.29Å; E35-H39 PolarHBondContact O-N 2.97Å; E35-R415 IonicContact OE1-CZ 3.44Å; E35-R415 IonicContact OE1-NH1 3.29Å; E35-R415 PolarHBondContact OE1-NH1 3.13Å; E35-R415 IonicContact OE1-NH2 2.7Å; E35-R415 PolarHBondContact OE1-NH2 3.39Å; E35-R415 IonicContact OE2-CZ 3.61Å; E35-R415 IonicContact OE2-NH1 2.75Å; E35-R415 PolarHBondContact OE2-NH1 3.07Å; E35-R415 IonicContact OE2-NH2 3.6Å |
| 36 | M | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.4 | -40.1 | 175 | -66.4 | 166.5 | 74.5 | 0 | 0 | 112.1 | Q32 V33 H39 A40 L407 L410 N411 F420 F444 | Q32-M36 HydrophobicContact CG-SD 4.28Å; Q32-M36 WeakPolarHBondContact O-CB 3.27Å; Q32-M36 WeakPolarHBondContact O-CG 3.06Å; Q32-M36 PolarHBondContact O-N 2.77Å; V33-M36 PolarHBondContact O-N 3.36Å; M36-H39 PolarHBondContact O-N 3.44Å; M36-A40 WeakPolarHBondContact O-CB 3.42Å; M36-A40 PolarHBondContact O-N 3.08Å; M36-L407 HydrophobicContact CE-CD2 4.11Å; M36-L407 HydrophobicContact SD-CD2 3.58Å; M36-L407 VanDerWaalsContact SD-CD2 3.58Å; M36-L410 HydrophobicContact CE-CB 3.59Å; M36-L410 HydrophobicContact CE-CD1 4.03Å; M36-L410 HydrophobicContact CE-CG 4.47Å; M36-N411 WeakPolarHBondContact CE-ND2 3.49Å; M36-N411 PolarHBondContact SD-ND2 3.38Å; M36-F420 HydrophobicContact CB-CE2 4.17Å; M36-F420 HydrophobicContact CB-CZ 3.82Å; M36-F420 HydrophobicContact CE-CE1 3.68Å; M36-F420 HydrophobicContact CE-CZ 3.68Å; M36-F420 HydrophobicContact CG-CZ 3.92Å; M36-F444 HydrophobicContact CB-CD1 4.32Å; M36-F444 HydrophobicContact CB-CE1 3.39Å; M36-F444 HydrophobicContact CB-CZ 3.75Å; M36-F444 HydrophobicContact CE-CE1 3.91Å; M36-F444 HydrophobicContact CE-CZ 4.49Å; M36-F444 HydrophobicContact CG-CE1 4.44Å; M36-F444 HydrophobicContact SD-CE1 4.31Å |
| 37 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 173.6 | 175.8 | -84.2 | 0 | 0 | 0 | 110.7 | V33 V34 H39 A40 Y41 T87 T90 L91 L94 K96 L440 F444 | V33-F37 WeakPolarHBondContact O-CB 3.48Å; V33-F37 PolarHBondContact O-N 3.04Å; V34-F37 PolarHBondContact O-N 3.19Å; F37-H39 VanDerWaalsContact C-N 3.32Å; F37-H39 PolarHBondContact O-N 2.79Å; F37-A40 PolarHBondContact O-N 2.96Å; F37-A40 VanDerWaalsContact O-N 3.1Å; F37-Y41 HydrophobicContact CE1-CG 4.09Å; F37-Y41 HydrophobicContact CZ-CD2 4.32Å; F37-Y41 HydrophobicContact CZ-CG 4.21Å; F37-Y41 WeakPolarHBondContact O-CB 3.44Å; F37-Y41 PolarHBondContact O-N 2.83Å; F37-T87 HydrophobicContact CE2-CG2 3.63Å; F37-T87 HydrophobicContact CZ-CG2 3.47Å; F37-T87 VanDerWaalsContact CZ-CG2 3.47Å; F37-T90 HydrophobicContact CD2-CG2 4.2Å; F37-T90 HydrophobicContact CE2-CG2 3.63Å; F37-T90 HydrophobicContact CZ-CG2 4.33Å; F37-L91 HydrophobicContact CE1-CD2 3.8Å; F37-L91 HydrophobicContact CZ-CD2 3.74Å; F37-L91 HydrophobicContact CZ-CG 4.45Å; F37-L94 HydrophobicContact CB-CD1 3.97Å; F37-L94 HydrophobicContact CD1-CD1 3.5Å; F37-L94 VanDerWaalsContact CD1-CD1 3.5Å; F37-L94 HydrophobicContact CD2-CD1 3.5Å; F37-L94 VanDerWaalsContact CD2-CD1 3.5Å; F37-L94 HydrophobicContact CE1-CD1 3.8Å; F37-L94 HydrophobicContact CE2-CD1 3.79Å; F37-L94 HydrophobicContact CG-CD1 3.34Å; F37-L94 HydrophobicContact CZ-CD1 3.93Å; F37-K96 HydrophobicContact CD1-CD 4.28Å; F37-K96 HydrophobicContact CE1-CD 3.94Å; F37-L440 HydrophobicContact CD2-CD2 4.11Å; F37-L440 HydrophobicContact CE2-CB 4.43Å; F37-L440 HydrophobicContact CE2-CD2 4.19Å; F37-F444 HydrophobicContact CB-CB 4.27Å; F37-F444 HydrophobicContact CB-CD1 4.44Å; F37-F444 HydrophobicContact CB-CD2 4.04Å; F37-F444 HydrophobicContact CB-CG 4Å; F37-F444 HydrophobicContact CD2-CB 3.9Å; F37-F444 AromaticContact CD2-CD2 3.84Å; F37-F444 HydrophobicContact CD2-CD2 3.84Å; F37-F444 HydrophobicContact CD2-CG 4.13Å; F37-F444 HydrophobicContact CG-CD2 4.42Å |
| 38 | D | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 39.6 Ų | 39.6 | 33% | 0.332 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 177.3 | -79.4 | -40 | 0 | 0 | 0 | 111.4 | V34 E35 A40 Q42 K96 | V34-D38 WeakPolarHBondContact O-CB 3.18Å; V34-D38 PolarHBondContact O-N 3.49Å; E35-D38 PolarHBondContact O-N 3.45Å; D38-A40 VanDerWaalsContact C-N 3.33Å; D38-A40 PolarHBondContact O-N 3.42Å; D38-Q42 WeakPolarHBondContact O-CB 3.4Å; D38-Q42 PolarHBondContact O-N 2.97Å; D38-K96 WeakPolarHBondContact OD1-CE 3.16Å; D38-K96 IonicContact OD1-NZ 2.63Å; D38-K96 PolarHBondContact OD1-NZ 3.32Å; D38-K96 IonicContact OD2-NZ 2.7Å; D38-K96 PolarHBondContact OD2-NZ 2.91Å |
| 39 | H | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 36.1 Ų | 36.1 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 172.6 | 176.8 | 94.2 | 0 | 0 | 0 | 112.6 | E35 M36 F37 N43 R415 V416 P417 G419 F420 | E35-H39 WeakPolarHBondContact O-CB 3.29Å; E35-H39 PolarHBondContact O-N 2.97Å; M36-H39 PolarHBondContact O-N 3.44Å; F37-H39 VanDerWaalsContact C-N 3.32Å; F37-H39 PolarHBondContact O-N 2.79Å; H39-N43 WeakPolarHBondContact O-CB 3.47Å; H39-N43 PolarHBondContact O-ND2 3.42Å; H39-R415 PolarHBondContact ND1-NH2 2.92Å; H39-V416 PolarHBondContact CE1-O 3.41Å; H39-V416 VanDerWaalsContact CE1-O 3.31Å; H39-V416 PolarHBondContact NE2-O 3.43Å; H39-P417 PolarHBondContact CE1-O 2.96Å; H39-G419 PolarHBondContact NE2-N 2.87Å; H39-G419 PolarHBondContact NE2-O 2.93Å; H39-F420 AromaticContact CD2-CE2 3.63Å |
| 40 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -78.4 | -50.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M36 F37 D38 N43 Y44 F420 M435 F439 L440 F444 | M36-A40 WeakPolarHBondContact O-CB 3.42Å; M36-A40 PolarHBondContact O-N 3.08Å; F37-A40 PolarHBondContact O-N 2.96Å; F37-A40 VanDerWaalsContact O-N 3.1Å; D38-A40 VanDerWaalsContact C-N 3.33Å; D38-A40 PolarHBondContact O-N 3.42Å; A40-N43 PolarHBondContact O-N 3.1Å; A40-Y44 PolarHBondContact O-N 2.93Å; A40-F420 HydrophobicContact CB-CD2 3.99Å; A40-F420 HydrophobicContact CB-CE2 4.26Å; A40-M435 HydrophobicContact CB-CE 4.24Å; A40-M435 HydrophobicContact CB-SD 4.18Å; A40-F439 HydrophobicContact CB-CE1 4.49Å; A40-L440 HydrophobicContact CB-CD2 3.53Å; A40-F444 HydrophobicContact CB-CE2 3.91Å; A40-F444 HydrophobicContact CB-CZ 4.44Å |
| 41 | Y | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | -178.8 | 177.1 | -95.8 | 0 | 0 | 0 | 112.3 | F37 N43 Y44 M45 L84 T87 L91 E99 L440 | F37-Y41 HydrophobicContact CE1-CG 4.09Å; F37-Y41 HydrophobicContact CZ-CD2 4.32Å; F37-Y41 HydrophobicContact CZ-CG 4.21Å; F37-Y41 WeakPolarHBondContact O-CB 3.44Å; F37-Y41 PolarHBondContact O-N 2.83Å; Y41-N43 PolarHBondContact O-N 3.4Å; Y41-Y44 WeakPolarHBondContact O-CB 3.42Å; Y41-Y44 PolarHBondContact O-N 3.5Å; Y41-M45 HydrophobicContact CD1-CG 4.15Å; Y41-M45 HydrophobicContact CE1-CG 3.69Å; Y41-M45 HydrophobicContact CE2-CG 4.19Å; Y41-M45 HydrophobicContact CE2-SD 4.25Å; Y41-M45 WeakPolarHBondContact O-CG 3.5Å; Y41-M45 PolarHBondContact O-N 2.7Å; Y41-L84 HydrophobicContact CE2-CD1 4.39Å; Y41-T87 HydrophobicContact CD2-CG2 3.83Å; Y41-T87 HydrophobicContact CE2-CG2 4.15Å; Y41-L91 HydrophobicContact CE1-CD2 4.24Å; Y41-L91 HydrophobicContact CE2-CD1 4.23Å; Y41-L91 HydrophobicContact CE2-CD2 4.23Å; Y41-E99 HydrophobicContact CE1-CG 3.69Å; Y41-E99 PolarHBondContact OH-OE1 2.99Å; Y41-L440 HydrophobicContact CD2-CD1 4.12Å |
| 42 | Q | 98.1 | Very high | 97.8 | Very high | 91 Ų | 91 | 34.8 Ų | 34.8 | 43% | 0.425 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.3 | -39.5 | 178.9 | -171.9 | 61.4 | 46.9 | 0 | 0 | 111.5 | D38 Y44 M45 D46 | D38-Q42 WeakPolarHBondContact O-CB 3.4Å; D38-Q42 PolarHBondContact O-N 2.97Å; Q42-Y44 PolarHBondContact O-N 3.44Å; Q42-M45 PolarHBondContact O-N 2.63Å; Q42-D46 WeakPolarHBondContact CG-OD2 3.26Å; Q42-D46 PolarHBondContact NE2-OD1 3.46Å; Q42-D46 PolarHBondContact NE2-OD2 2.75Å; Q42-D46 WeakPolarHBondContact O-CB 3.3Å; Q42-D46 PolarHBondContact O-N 2.82Å |
| 43 | N | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 33 Ų | 33 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.3 | -34.9 | 173.9 | -84.2 | -66.5 | 0 | 0 | 0 | 112.6 | H39 A40 Y41 H47 L54 C418 | H39-N43 WeakPolarHBondContact O-CB 3.47Å; H39-N43 PolarHBondContact O-ND2 3.42Å; A40-N43 PolarHBondContact O-N 3.1Å; Y41-N43 PolarHBondContact O-N 3.4Å; N43-H47 VanDerWaalsContact O-CB 3.28Å; N43-H47 WeakPolarHBondContact O-CB 3.4Å; N43-H47 PolarHBondContact O-N 3.06Å; N43-H47 PolarHBondContact OD1-CD2 2.93Å; N43-L54 HydrophobicContact CB-CD2 4.12Å; N43-C418 WeakPolarHBondContact OD1-CA 3.32Å |
| 44 | Y | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 169.2 | 167.1 | -97.4 | 0 | 0 | 0 | 111.1 | A40 Y41 Q42 D46 A48 Y49 A51 L54 T83 L84 | A40-Y44 PolarHBondContact O-N 2.93Å; Y41-Y44 WeakPolarHBondContact O-CB 3.42Å; Y41-Y44 PolarHBondContact O-N 3.5Å; Q42-Y44 PolarHBondContact O-N 3.44Å; Y44-D46 PolarHBondContact O-N 3.33Å; Y44-A48 HydrophobicContact CD2-CB 3.52Å; Y44-A48 HydrophobicContact CE2-CB 3.86Å; Y44-A48 HydrophobicContact CG-CB 4.38Å; Y44-A48 CarbonylContact O-C 3.43Å; Y44-A48 WeakPolarHBondContact O-CA 3.38Å; Y44-A48 WeakPolarHBondContact O-CB 3.21Å; Y44-A48 PolarHBondContact O-N 3.44Å; Y44-Y49 HydrophobicContact CE1-CD2 4.48Å; Y44-Y49 PolarHBondContact O-N 2.88Å; Y44-A51 WeakPolarHBondContact CE2-O 3.37Å; Y44-A51 PolarHBondContact OH-O 2.94Å; Y44-L54 HydrophobicContact CD2-CB 4.34Å; Y44-T83 HydrophobicContact CD1-CG2 4.03Å; Y44-T83 HydrophobicContact CD2-CG2 3.76Å; Y44-T83 HydrophobicContact CE1-CG2 4.19Å; Y44-T83 HydrophobicContact CE2-CG2 3.96Å; Y44-T83 HydrophobicContact CG-CG2 3.83Å; Y44-L84 HydrophobicContact CE1-CB 4.04Å; Y44-L84 PolarHBondContact OH-N 2.87Å |
| 45 | M | 98.1 | Very high | 97.7 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 11% | 0.108 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.8 | -32.4 | 180 | -68.3 | -52.6 | -46.4 | 0 | 0 | 114.1 | Y41 Q42 Y49 L84 | Y41-M45 HydrophobicContact CD1-CG 4.15Å; Y41-M45 HydrophobicContact CE1-CG 3.69Å; Y41-M45 HydrophobicContact CE2-CG 4.19Å; Y41-M45 HydrophobicContact CE2-SD 4.25Å; Y41-M45 WeakPolarHBondContact O-CG 3.5Å; Y41-M45 PolarHBondContact O-N 2.7Å; Q42-M45 PolarHBondContact O-N 2.63Å; M45-Y49 HydrophobicContact CE-CD1 3.86Å; M45-Y49 HydrophobicContact CE-CD2 3.77Å; M45-Y49 HydrophobicContact CE-CE1 4.42Å; M45-Y49 HydrophobicContact CE-CE2 4.33Å; M45-Y49 HydrophobicContact CE-CG 3.51Å; M45-Y49 HydrophobicContact SD-CD2 4.32Å; M45-Y49 HydrophobicContact SD-CG 4.34Å; M45-L84 HydrophobicContact SD-CD1 4.02Å |
| 46 | D | 97.9 | Very high | 97.6 | Very high | 103 Ų | 103 | 27.6 Ų | 27.6 | 55% | 0.551 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -89.9 | -23 | -177.9 | -71.6 | -24 | 0 | 0 | 0 | 114 | Q42 Y44 | Q42-D46 WeakPolarHBondContact CG-OD2 3.26Å; Q42-D46 PolarHBondContact NE2-OD1 3.46Å; Q42-D46 PolarHBondContact NE2-OD2 2.75Å; Q42-D46 WeakPolarHBondContact O-CB 3.3Å; Q42-D46 PolarHBondContact O-N 2.82Å; Y44-D46 PolarHBondContact O-N 3.33Å |
| 47 | H | 97.6 | Very high | 97.5 | Very high | 80 Ų | 80 | 31.2 Ų | 31.2 | 37% | 0.37 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -125 | -23.7 | -172.5 | -62.5 | -36 | 0 | 0 | 0 | 115.4 | N43 L54 R60 G61 | N43-H47 VanDerWaalsContact O-CB 3.28Å; N43-H47 WeakPolarHBondContact O-CB 3.4Å; N43-H47 PolarHBondContact O-N 3.06Å; N43-H47 PolarHBondContact OD1-CD2 2.93Å; H47-L54 HydrophobicContact CB-CD1 4.08Å; H47-R60 CarbonylContact O-C 3.37Å; H47-R60 VanDerWaalsContact O-CA 3.27Å; H47-R60 WeakPolarHBondContact O-CA 3.4Å; H47-G61 PolarHBondContact O-N 3.08Å; H47-G61 VanDerWaalsContact O-N 3.07Å |
| 48 | A | 97.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 5% | 0.05 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -44.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y44 A51 L54 G61 | Y44-A48 HydrophobicContact CD2-CB 3.52Å; Y44-A48 HydrophobicContact CE2-CB 3.86Å; Y44-A48 HydrophobicContact CG-CB 4.38Å; Y44-A48 CarbonylContact O-C 3.43Å; Y44-A48 WeakPolarHBondContact O-CA 3.38Å; Y44-A48 WeakPolarHBondContact O-CB 3.21Å; Y44-A48 PolarHBondContact O-N 3.44Å; A48-A51 WeakPolarHBondContact O-CA 3.43Å; A48-A51 WeakPolarHBondContact O-CB 3.27Å; A48-A51 PolarHBondContact O-N 3.41Å; A48-L54 HydrophobicContact CB-CB 3.97Å; A48-L54 HydrophobicContact CB-CD1 3.76Å; A48-L54 HydrophobicContact CB-CG 4.45Å; A48-G61 VanDerWaalsContact CA-CA 3.49Å |
| 49 | Y | 96.9 | Very high | 97.4 | Very high | 51 Ų | 51 | 34 Ų | 34 | 20% | 0.2 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 129.8 | -177.9 | 176.5 | -95.8 | 0 | 0 | 0 | 112 | Y44 M45 L84 R106 D110 | Y44-Y49 HydrophobicContact CE1-CD2 4.48Å; Y44-Y49 PolarHBondContact O-N 2.88Å; M45-Y49 HydrophobicContact CE-CD1 3.86Å; M45-Y49 HydrophobicContact CE-CD2 3.77Å; M45-Y49 HydrophobicContact CE-CE1 4.42Å; M45-Y49 HydrophobicContact CE-CE2 4.33Å; M45-Y49 HydrophobicContact CE-CG 3.51Å; M45-Y49 HydrophobicContact SD-CD2 4.32Å; M45-Y49 HydrophobicContact SD-CG 4.34Å; Y49-L84 HydrophobicContact CD2-CD2 4.05Å; Y49-L84 HydrophobicContact CE2-CD2 3.54Å; Y49-R106 HydrophobicContact CE2-CB 4.4Å; Y49-R106 WeakPolarHBondContact OH-CB 3.29Å; Y49-D110 VanDerWaalsContact OH-CG 3.23Å; Y49-D110 PolarHBondContact OH-OD2 2.83Å |
| 50 | P | 95.4 | Very high | 97.2 | Very high | 78 Ų | 78 | 37.2 Ų | 37.2 | 51% | 0.506 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -94.3 | 17.1 | 11.2 | 38.4 | -37.6 | 0 | 0 | 0 | 115.8 | S81 | P50-S81 WeakPolarHBondContact CB-OG 3.47Å; P50-S81 WeakPolarHBondContact O-CA 3.42Å; P50-S81 WeakPolarHBondContact O-CB 3.36Å; P50-S81 PolarHBondContact O-OG 3.3Å |
| 51 | A | 95.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 12% | 0.116 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -63 | 162.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y44 A48 V63 | Y44-A51 WeakPolarHBondContact CE2-O 3.37Å; Y44-A51 PolarHBondContact OH-O 2.94Å; A48-A51 WeakPolarHBondContact O-CA 3.43Å; A48-A51 WeakPolarHBondContact O-CB 3.27Å; A48-A51 PolarHBondContact O-N 3.41Å; A51-V63 HydrophobicContact CB-CG2 3.96Å |
| 52 | D | 95.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -74.8 | -36.9 | -173.5 | -68.7 | -40.8 | 0 | 0 | 0 | 113.4 | L77 G78 K79 F80 S81 L82 T83 | D52-L77 HydrophobicContact CB-CB 4.29Å; D52-L77 HydrophobicContact CB-CD2 3.72Å; D52-L77 WeakPolarHBondContact OD2-CA 3.44Å; D52-G78 PolarHBondContact OD2-N 3.41Å; D52-K79 VanDerWaalsContact OD2-CA 3.28Å; D52-K79 WeakPolarHBondContact OD2-CA 3.49Å; D52-K79 PolarHBondContact OD2-N 3.46Å; D52-F80 PolarHBondContact OD1-N 2.96Å; D52-S81 PolarHBondContact OD1-N 3.34Å; D52-L82 HydrophobicContact CB-CB 3.73Å; D52-L82 PolarHBondContact OD1-N 3Å; D52-T83 VanDerWaalsContact O-CB 3.3Å; D52-T83 WeakPolarHBondContact O-CB 3.39Å; D52-T83 PolarHBondContact O-N 3.43Å; D52-T83 PolarHBondContact O-OG1 2.79Å |
| 53 | E | 96.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 163.8 | -179.2 | -72.5 | -178.1 | 163.2 | 0 | 0 | 112.1 | G61 R62 R70 L77 | E53-G61 CarbonylContact O-C 3.55Å; E53-G61 WeakPolarHBondContact O-CA 3.41Å; E53-R62 HydrophobicContact CB-CB 4.17Å; E53-R62 PolarHBondContact O-N 2.85Å; E53-R70 IonicContact OE1-NH1 2.73Å; E53-R70 IonicContact OE1-NH2 3.2Å; E53-R70 IonicContact OE2-CZ 2.74Å; E53-R70 IonicContact OE2-NH1 3.75Å; E53-R70 PolarHBondContact OE2-NH1 2.82Å; E53-R70 IonicContact OE2-NH2 2.71Å; E53-R70 PolarHBondContact OE2-NH2 3.34Å; E53-L77 HydrophobicContact CG-CD2 3.81Å |
| 54 | L | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 138.6 | 174.9 | 177.1 | 63.2 | 0 | 0 | 0 | 111.3 | N43 Y44 H47 A48 P56 C418 M435 | N43-L54 HydrophobicContact CB-CD2 4.12Å; Y44-L54 HydrophobicContact CD2-CB 4.34Å; H47-L54 HydrophobicContact CB-CD1 4.08Å; A48-L54 HydrophobicContact CB-CB 3.97Å; A48-L54 HydrophobicContact CB-CD1 3.76Å; A48-L54 HydrophobicContact CB-CG 4.45Å; L54-P56 HydrophobicContact CD2-CB 4.43Å; L54-P56 HydrophobicContact CG-CB 4.31Å; L54-P56 WeakPolarHBondContact O-CD 3.5Å; L54-C418 VanDerWaalsContact CD2-O 3.27Å; L54-C418 WeakPolarHBondContact CD2-O 3.43Å; L54-M435 HydrophobicContact CB-CB 4.38Å; L54-M435 HydrophobicContact CB-CE 4.16Å; L54-M435 HydrophobicContact CD2-CE 3.66Å; L54-M435 HydrophobicContact CD2-SD 4.11Å; L54-M435 PolarHBondContact O-N 3.32Å |
| 55 | M | 97.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 95.9 | 167.1 | -69.2 | -176.4 | -68.4 | 0 | 0 | 108 | L57 C59 R60 G61 R62 E67 D433 | M55-L57 PolarHBondContact O-N 3.13Å; M55-C59 WeakPolarHBondContact O-CA 3.48Å; M55-C59 PolarHBondContact O-N 3Å; M55-R60 HydrophobicContact CB-CG 4.38Å; M55-R60 WeakPolarHBondContact CB-O 3.49Å; M55-R60 HydrophobicContact CE-CG 3.98Å; M55-R60 PolarHBondContact N-O 3.05Å; M55-R60 PolarHBondContact O-N 3.32Å; M55-G61 WeakPolarHBondContact CE-O 3.37Å; M55-R62 VanDerWaalsContact CE-CA 3.49Å; M55-R62 HydrophobicContact CE-CB 3.92Å; M55-R62 HydrophobicContact CE-CG 4.4Å; M55-R62 HydrophobicContact CG-CB 4.1Å; M55-R62 HydrophobicContact SD-CB 4.08Å; M55-R62 HydrophobicContact SD-CG 4.23Å; M55-E67 HydrophobicContact CE-CG 3.92Å; M55-E67 HydrophobicContact SD-CG 3.83Å; M55-D433 WeakPolarHBondContact CA-OD1 3.45Å; M55-D433 WeakPolarHBondContact CB-OD1 3.38Å; M55-D433 WeakPolarHBondContact CG-O 3.32Å |
| 56 | P | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -4.9 | -162.8 | 37.5 | -40.8 | 0 | 0 | 0 | 114.3 | L54 V416 C418 F420 A421 D433 M435 | L54-P56 HydrophobicContact CD2-CB 4.43Å; L54-P56 HydrophobicContact CG-CB 4.31Å; L54-P56 WeakPolarHBondContact O-CD 3.5Å; P56-V416 HydrophobicContact CB-CG2 3.7Å; P56-V416 HydrophobicContact CG-CG2 4.13Å; P56-V416 WeakPolarHBondContact O-CG2 3.38Å; P56-C418 WeakPolarHBondContact CA-O 3.5Å; P56-C418 WeakPolarHBondContact CB-O 3.27Å; P56-C418 WeakPolarHBondContact O-CB 3.12Å; P56-F420 WeakPolarHBondContact CG-O 3.18Å; P56-A421 HydrophobicContact CG-CB 3.89Å; P56-D433 WeakPolarHBondContact CD-OD1 3.29Å; P56-D433 VanDerWaalsContact N-OD1 3.11Å; P56-M435 HydrophobicContact CG-CB 4.2Å |
| 57 | L | 96.9 | Very high | 93.6 | Very high | 75 Ų | 75 | 43.1 Ų | 43.1 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -37.9 | 169.2 | -50.9 | 178.2 | 0 | 0 | 0 | 111.1 | M55 V416 A421 H431 D433 | M55-L57 PolarHBondContact O-N 3.13Å; L57-V416 HydrophobicContact CD2-CB 4.22Å; L57-V416 HydrophobicContact CD2-CG1 3.77Å; L57-V416 HydrophobicContact CD2-CG2 4.26Å; L57-A421 HydrophobicContact CD2-CB 3.73Å; L57-A421 HydrophobicContact CG-CB 4.16Å; L57-H431 HydrophobicContact CD1-CB 3.74Å; L57-H431 HydrophobicContact CD2-CB 4.15Å; L57-D433 WeakPolarHBondContact CA-OD1 3.47Å; L57-D433 HydrophobicContact CB-CB 4.19Å; L57-D433 VanDerWaalsContact CB-OD1 3.26Å; L57-D433 WeakPolarHBondContact CB-OD1 3.34Å; L57-D433 HydrophobicContact CD1-CB 3.92Å; L57-D433 HydrophobicContact CG-CB 4.18Å; L57-D433 PolarHBondContact N-OD1 3.14Å |
| 58 | T | 96.4 | Very high | 93 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 45% | 0.454 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -2.7 | 175.5 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | R60 D433 | T58-R60 WeakPolarHBondContact OG1-CG 3.32Å; T58-R60 PolarHBondContact OG1-NE 2.88Å; T58-D433 VanDerWaalsContact CB-OD2 3.29Å; T58-D433 WeakPolarHBondContact CB-OD2 3.27Å; T58-D433 WeakPolarHBondContact CG2-OD2 3.5Å; T58-D433 PolarHBondContact N-OD1 2.9Å; T58-D433 PolarHBondContact N-OD2 2.66Å; T58-D433 PolarHBondContact OG1-OD2 3.13Å |
| 59 | C | 97.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 49 Ų | 49 | 32% | 0.318 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 51.6 | 175.7 | -52.1 | 0 | 0 | 0 | 0 | 112.9 | M55 C418 | M55-C59 WeakPolarHBondContact O-CA 3.48Å; M55-C59 PolarHBondContact O-N 3Å; C59-C418 HydrophobicContact CB-CB 3.71Å; C59-C418 WeakPolarHBondContact CB-SG 3.04Å; C59-C418 WeakPolarHBondContact SG-CB 3.4Å; C59-C418 CovalentContact SG-SG 2.03Å; C59-C418 PolarHBondContact SG-SG 3.12Å |
| 60 | R | 96 | Very high | 91.7 | Very high | 102 Ų | 102 | 49 Ų | 49 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 161.2 | -176.3 | 55.8 | 174.2 | -164.7 | 120.9 | 11.8 | 111.8 | H47 M55 T58 E67 | H47-R60 CarbonylContact O-C 3.37Å; H47-R60 VanDerWaalsContact O-CA 3.27Å; H47-R60 WeakPolarHBondContact O-CA 3.4Å; M55-R60 HydrophobicContact CB-CG 4.38Å; M55-R60 WeakPolarHBondContact CB-O 3.49Å; M55-R60 HydrophobicContact CE-CG 3.98Å; M55-R60 PolarHBondContact N-O 3.05Å; M55-R60 PolarHBondContact O-N 3.32Å; T58-R60 WeakPolarHBondContact OG1-CG 3.32Å; T58-R60 PolarHBondContact OG1-NE 2.88Å; R60-E67 IonicContact CZ-OE1 3.41Å; R60-E67 IonicContact NH1-OE1 2.67Å; R60-E67 PolarHBondContact NH1-OE1 3.05Å; R60-E67 IonicContact NH2-OE1 3.61Å; R60-E67 PolarHBondContact NH2-OE1 3.33Å |
| 61 | G | 95.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 146.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | H47 A48 E53 M55 | H47-G61 PolarHBondContact O-N 3.08Å; H47-G61 VanDerWaalsContact O-N 3.07Å; A48-G61 VanDerWaalsContact CA-CA 3.49Å; E53-G61 CarbonylContact O-C 3.55Å; E53-G61 WeakPolarHBondContact O-CA 3.41Å; M55-G61 WeakPolarHBondContact CE-O 3.37Å |
| 62 | R | 92.9 | Very high | 90.5 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 6% | 0.057 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122.8 | 173.3 | -172.7 | 176.3 | 179.1 | 73.9 | 6.8 | 110.3 | E53 M55 E67 P68 R70 D74 L77 | E53-R62 HydrophobicContact CB-CB 4.17Å; E53-R62 PolarHBondContact O-N 2.85Å; M55-R62 VanDerWaalsContact CE-CA 3.49Å; M55-R62 HydrophobicContact CE-CB 3.92Å; M55-R62 HydrophobicContact CE-CG 4.4Å; M55-R62 HydrophobicContact CG-CB 4.1Å; M55-R62 HydrophobicContact SD-CB 4.08Å; M55-R62 HydrophobicContact SD-CG 4.23Å; R62-E67 WeakPolarHBondContact CA-OE2 3.39Å; R62-E67 WeakPolarHBondContact CG-OE2 3.38Å; R62-P68 PolarHBondContact NH2-O 2.92Å; R62-R70 VanDerWaalsContact NE-CZ 3.32Å; R62-D74 IonicContact CZ-OD1 3.04Å; R62-D74 IonicContact CZ-OD2 2.64Å; R62-D74 IonicContact NE-OD1 2.8Å; R62-D74 PolarHBondContact NE-OD1 3.2Å; R62-D74 IonicContact NE-OD2 3.84Å; R62-D74 IonicContact NH2-OD1 3.36Å; R62-D74 PolarHBondContact NH2-OD1 3.03Å; R62-D74 IonicContact NH2-OD2 3.73Å; R62-D74 PolarHBondContact NH2-OD2 2.95Å; R62-L77 HydrophobicContact CG-CD1 4.09Å |
| 63 | V | 85.6 | Confident | 89.9 | Confident | 51 Ų | 51 | 55 Ų | 55 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | trans | -124.6 | 107.9 | -177.3 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | A51 G65 L66 E67 | A51-V63 HydrophobicContact CB-CG2 3.96Å; V63-G65 PolarHBondContact O-N 3.4Å; V63-G65 VanDerWaalsContact O-N 3.12Å; V63-L66 HydrophobicContact CB-CD1 3.92Å; V63-L66 HydrophobicContact CB-CG 4.14Å; V63-L66 HydrophobicContact CG1-CD1 4.08Å; V63-L66 HydrophobicContact CG1-CG 4.16Å; V63-L66 PolarHBondContact O-N 2.95Å; V63-E67 PolarHBondContact N-OE2 2.66Å | ||
| 64 | R | 84.1 | Confident | 89.6 | Confident | 59 Ų | 59 | 55 Ų | 55 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -54.7 | 119.1 | -176.9 | -170.6 | 170.5 | 177.5 | -162.9 | 1.7 | 111.8 | D74 D75 L77 K79 V118 | R64-D74 VanDerWaalsContact CD-O 3.25Å; R64-D74 WeakPolarHBondContact CD-O 3.4Å; R64-D74 HydrophobicContact CG-CB 4.49Å; R64-D74 VanDerWaalsContact CZ-O 3.23Å; R64-D74 PolarHBondContact NE-O 3.49Å; R64-D74 PolarHBondContact NH1-O 3.44Å; R64-D74 VanDerWaalsContact NH1-O 3.1Å; R64-D75 IonicContact CZ-OD1 2.74Å; R64-D75 IonicContact NH1-OD1 3.71Å; R64-D75 IonicContact NH2-OD1 3.31Å; R64-D75 PolarHBondContact NH2-OD1 3.43Å; R64-L77 HydrophobicContact CB-CB 4.25Å; R64-L77 WeakPolarHBondContact CD-O 3.34Å; R64-L77 PolarHBondContact NH1-O 3.27Å; R64-K79 WeakPolarHBondContact O-CE 3.49Å; R64-K79 PolarHBondContact O-NZ 3.42Å; R64-V118 PolarHBondContact NH1-O 2.74Å |
| 65 | G | 80.7 | Confident | 89.2 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 74% | 0.742 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.6 | -11.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V63 | V63-G65 PolarHBondContact O-N 3.4Å; V63-G65 VanDerWaalsContact O-N 3.12Å |
| 66 | L | 84.8 | Confident | 88.9 | Confident | 134 Ų | 134 | 55.4 Ų | 55.4 | 70% | 0.702 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -31.9 | 173.8 | -57.4 | -171 | 0 | 0 | 0 | 113 | V63 | V63-L66 HydrophobicContact CB-CD1 3.92Å; V63-L66 HydrophobicContact CB-CG 4.14Å; V63-L66 HydrophobicContact CG1-CD1 4.08Å; V63-L66 HydrophobicContact CG1-CG 4.16Å; V63-L66 PolarHBondContact O-N 2.95Å |
| 67 | E | 87.6 | Confident | 88.7 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -95.8 | 154.9 | 172.9 | -73.4 | 70.7 | -123.4 | 0 | 0 | 111.9 | M55 R60 R62 V63 S69 | M55-E67 HydrophobicContact CE-CG 3.92Å; M55-E67 HydrophobicContact SD-CG 3.83Å; R60-E67 IonicContact CZ-OE1 3.41Å; R60-E67 IonicContact NH1-OE1 2.67Å; R60-E67 PolarHBondContact NH1-OE1 3.05Å; R60-E67 IonicContact NH2-OE1 3.61Å; R60-E67 PolarHBondContact NH2-OE1 3.33Å; R62-E67 WeakPolarHBondContact CA-OE2 3.39Å; R62-E67 WeakPolarHBondContact CG-OE2 3.38Å; V63-E67 PolarHBondContact N-OE2 2.66Å; E67-S69 PolarHBondContact O-N 3.16Å |
| 68 | P | 84.8 | Confident | 88.5 | Confident | 114 Ų | 114 | 51.8 Ų | 51.8 | 74% | 0.74 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 138.6 | 163.4 | -25.5 | 34.9 | 0 | 0 | 0 | 111.8 | R62 | R62-P68 PolarHBondContact NH2-O 2.92Š|
| 69 | S | 84.8 | Confident | 88.3 | Confident | 94 Ų | 94 | 53.2 Ų | 53.2 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 138.1 | -179.6 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | E67 G71 D74 | E67-S69 PolarHBondContact O-N 3.16Å; S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact OG-N 3.14Å; S69-D74 WeakPolarHBondContact CA-OD2 3.35Å |
| 70 | R | 83.1 | Confident | 88.2 | Confident | 53 Ų | 53 | 51 Ų | 51 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | trans | -90.2 | 15.7 | 167.7 | -65 | 177.9 | -58.7 | -176.3 | 4.7 | 112.2 | E53 R62 V73 D74 | E53-R70 IonicContact OE1-NH1 2.73Å; E53-R70 IonicContact OE1-NH2 3.2Å; E53-R70 IonicContact OE2-CZ 2.74Å; E53-R70 IonicContact OE2-NH1 3.75Å; E53-R70 PolarHBondContact OE2-NH1 2.82Å; E53-R70 IonicContact OE2-NH2 2.71Å; E53-R70 PolarHBondContact OE2-NH2 3.34Å; R62-R70 VanDerWaalsContact NE-CZ 3.32Å; R70-V73 HydrophobicContact CB-CB 3.85Å; R70-V73 HydrophobicContact CB-CG1 4.17Å; R70-D74 IonicContact CZ-OD1 3.99Å; R70-D74 PolarHBondContact N-OD2 3.08Å; R70-D74 IonicContact NE-OD1 3.94Å; R70-D74 PolarHBondContact NE-OD1 3.45Å; R70-D74 IonicContact NH2-OD1 3.22Å; R70-D74 PolarHBondContact NH2-OD1 2.96Å | ||
| 71 | G | 84.9 | Confident | 88.2 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | 68.8 | -144.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S69 V73 D74 | S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact OG-N 3.14Å; G71-V73 PolarHBondContact O-N 2.87Å; G71-D74 PolarHBondContact O-N 2.7Å |
| 72 | D | 80.7 | Confident | 88.2 | Confident | 121 Ų | 121 | 45.8 Ų | 45.8 | 65% | 0.647 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -51.2 | -26 | -178.3 | -59.8 | -13.5 | 0 | 0 | 0 | 113.8 | D74 D75 R181 | D72-D74 PolarHBondContact O-N 2.83Å; D72-D75 WeakPolarHBondContact O-CB 3.09Å; D72-D75 PolarHBondContact O-N 3.15Å; D72-R181 IonicContact OD1-CZ 3.36Å; D72-R181 IonicContact OD1-NH2 3.85Å; D72-R181 PolarHBondContact OD1-NH2 2.92Å |
| 73 | V | 84 | Confident | 88.5 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 35% | 0.345 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -56.6 | -35.3 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 112.5 | R70 G71 D75 | R70-V73 HydrophobicContact CB-CB 3.85Å; R70-V73 HydrophobicContact CB-CG1 4.17Å; G71-V73 PolarHBondContact O-N 2.87Å; V73-D75 VanDerWaalsContact C-N 3.25Å; V73-D75 PolarHBondContact O-N 3.33Å |
| 74 | D | 88.4 | Confident | 89.1 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -78.7 | -5.5 | 179.5 | -72.6 | -31.8 | 0 | 0 | 0 | 113.4 | R62 R64 S69 R70 G71 D72 A76 L77 | R62-D74 IonicContact CZ-OD1 3.04Å; R62-D74 IonicContact CZ-OD2 2.64Å; R62-D74 IonicContact NE-OD1 2.8Å; R62-D74 PolarHBondContact NE-OD1 3.2Å; R62-D74 IonicContact NE-OD2 3.84Å; R62-D74 IonicContact NH2-OD1 3.36Å; R62-D74 PolarHBondContact NH2-OD1 3.03Å; R62-D74 IonicContact NH2-OD2 3.73Å; R62-D74 PolarHBondContact NH2-OD2 2.95Å; R64-D74 VanDerWaalsContact CD-O 3.25Å; R64-D74 WeakPolarHBondContact CD-O 3.4Å; R64-D74 HydrophobicContact CG-CB 4.49Å; R64-D74 VanDerWaalsContact CZ-O 3.23Å; R64-D74 PolarHBondContact NE-O 3.49Å; R64-D74 PolarHBondContact NH1-O 3.44Å; R64-D74 VanDerWaalsContact NH1-O 3.1Å; S69-D74 WeakPolarHBondContact CA-OD2 3.35Å; R70-D74 IonicContact CZ-OD1 3.99Å; R70-D74 PolarHBondContact N-OD2 3.08Å; R70-D74 IonicContact NE-OD1 3.94Å; R70-D74 PolarHBondContact NE-OD1 3.45Å; R70-D74 IonicContact NH2-OD1 3.22Å; R70-D74 PolarHBondContact NH2-OD1 2.96Å; G71-D74 PolarHBondContact O-N 2.7Å; D72-D74 PolarHBondContact O-N 2.83Å; D74-A76 PolarHBondContact O-N 2.84Å; D74-L77 HydrophobicContact CB-CD1 4.34Å; D74-L77 WeakPolarHBondContact O-CB 3.31Å; D74-L77 PolarHBondContact O-N 2.58Å; D74-L77 WeakPolarHBondContact OD1-CD1 3.37Å |
| 75 | D | 90.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -70.5 | -13.2 | 172.8 | -74.6 | -43.2 | 0 | 0 | 0 | 113.5 | R64 D72 V73 V119 S120 R181 | R64-D75 IonicContact CZ-OD1 2.74Å; R64-D75 IonicContact NH1-OD1 3.71Å; R64-D75 IonicContact NH2-OD1 3.31Å; R64-D75 PolarHBondContact NH2-OD1 3.43Å; D72-D75 WeakPolarHBondContact O-CB 3.09Å; D72-D75 PolarHBondContact O-N 3.15Å; V73-D75 VanDerWaalsContact C-N 3.25Å; V73-D75 PolarHBondContact O-N 3.33Å; D75-V119 CarbonylContact O-C 3.58Å; D75-V119 VanDerWaalsContact O-CA 3.26Å; D75-V119 WeakPolarHBondContact O-CA 3.33Å; D75-V119 WeakPolarHBondContact O-CB 3.19Å; D75-S120 PolarHBondContact O-N 3.32Å; D75-R181 IonicContact OD1-NE 3.25Å; D75-R181 IonicContact OD2-CZ 2.73Å; D75-R181 IonicContact OD2-NE 2.73Å; D75-R181 PolarHBondContact OD2-NE 3.2Å; D75-R181 IonicContact OD2-NH2 3.43Å; D75-R181 PolarHBondContact OD2-NH2 2.95Å |
| 76 | A | 91.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -70.4 | -19.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D74 G78 F80 L82 E123 | D74-A76 PolarHBondContact O-N 2.84Å; A76-G78 PolarHBondContact O-N 3.38Å; A76-F80 WeakPolarHBondContact O-CZ 3.21Å; A76-L82 HydrophobicContact CB-CD2 4.39Å; A76-E123 HydrophobicContact CB-CB 3.88Å; A76-E123 HydrophobicContact CB-CG 4.03Å |
| 77 | L | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -93.4 | 99.1 | -173.4 | -45.7 | -176.6 | 0 | 0 | 0 | 110.9 | D52 E53 R62 R64 D74 L82 I117 | D52-L77 HydrophobicContact CB-CB 4.29Å; D52-L77 HydrophobicContact CB-CD2 3.72Å; D52-L77 WeakPolarHBondContact OD2-CA 3.44Å; E53-L77 HydrophobicContact CG-CD2 3.81Å; R62-L77 HydrophobicContact CG-CD1 4.09Å; R64-L77 HydrophobicContact CB-CB 4.25Å; R64-L77 WeakPolarHBondContact CD-O 3.34Å; R64-L77 PolarHBondContact NH1-O 3.27Å; D74-L77 HydrophobicContact CB-CD1 4.34Å; D74-L77 WeakPolarHBondContact O-CB 3.31Å; D74-L77 PolarHBondContact O-N 2.58Å; D74-L77 WeakPolarHBondContact OD1-CD1 3.37Å; L77-L82 HydrophobicContact CD2-CD2 4.2Å; L77-I117 WeakPolarHBondContact O-CD1 3.47Å | ||
| 78 | G | 91.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -106.2 | 11.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | D52 A76 N115 | D52-G78 PolarHBondContact OD2-N 3.41Å; A76-G78 PolarHBondContact O-N 3.38Å; G78-N115 PolarHBondContact O-ND2 3.08Å | ||
| 79 | K | 92.6 | Very high | 92.3 | Very high | 104 Ų | 104 | 23.5 Ų | 23.5 | 45% | 0.452 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 60.4 | 45.3 | -178 | -58.2 | 177.5 | -179.1 | 179.2 | 0 | 112.7 | D52 R64 N115 I117 | D52-K79 VanDerWaalsContact OD2-CA 3.28Å; D52-K79 WeakPolarHBondContact OD2-CA 3.49Å; D52-K79 PolarHBondContact OD2-N 3.46Å; R64-K79 WeakPolarHBondContact O-CE 3.49Å; R64-K79 PolarHBondContact O-NZ 3.42Å; K79-N115 PolarHBondContact O-ND2 3.17Å; K79-I117 HydrophobicContact CD-CD1 4.12Å; K79-I117 HydrophobicContact CG-CD1 4.06Å |
| 80 | F | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -124.3 | 19.8 | -177.8 | 45.3 | -127.6 | 0 | 0 | 0 | 112.8 | D52 A76 L82 I85 V111 L113 V119 V128 L184 | D52-F80 PolarHBondContact OD1-N 2.96Å; A76-F80 WeakPolarHBondContact O-CZ 3.21Å; F80-L82 HydrophobicContact CD2-CB 4.08Å; F80-L82 HydrophobicContact CE2-CB 3.74Å; F80-L82 HydrophobicContact CE2-CD1 3.89Å; F80-L82 HydrophobicContact CE2-CG 4.29Å; F80-I85 VanDerWaalsContact O-CD1 3.24Å; F80-I85 WeakPolarHBondContact O-CD1 3.3Å; F80-V111 HydrophobicContact CB-CG1 3.88Å; F80-V111 VanDerWaalsContact O-CG2 3.31Å; F80-V111 WeakPolarHBondContact O-CG2 3.45Å; F80-L113 HydrophobicContact CB-CD2 4.35Å; F80-V119 HydrophobicContact CE1-CG1 4.46Å; F80-V128 HydrophobicContact CD2-CG1 4.45Å; F80-V128 HydrophobicContact CD2-CG2 4.05Å; F80-V128 HydrophobicContact CE1-CG2 4.13Å; F80-V128 HydrophobicContact CE2-CG2 3.37Å; F80-V128 HydrophobicContact CZ-CG2 3.44Å; F80-V128 VanDerWaalsContact CZ-CG2 3.44Å; F80-L184 HydrophobicContact CD1-CD1 4.02Å; F80-L184 HydrophobicContact CE1-CD1 4.07Å |
| 81 | S | 96.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | trans | 57.2 | 47 | -177.3 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | P50 D52 T83 L84 I85 | P50-S81 WeakPolarHBondContact CB-OG 3.47Å; P50-S81 WeakPolarHBondContact O-CA 3.42Å; P50-S81 WeakPolarHBondContact O-CB 3.36Å; P50-S81 PolarHBondContact O-OG 3.3Å; D52-S81 PolarHBondContact OD1-N 3.34Å; S81-T83 VanDerWaalsContact C-N 3.34Å; S81-T83 PolarHBondContact O-N 3.43Å; S81-T83 VanDerWaalsContact O-N 3.13Å; S81-L84 WeakPolarHBondContact O-CA 3.45Å; S81-L84 WeakPolarHBondContact O-CB 3.49Å; S81-L84 PolarHBondContact O-N 2.63Å; S81-I85 PolarHBondContact O-N 3.18Å | ||
| 82 | L | 97.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -35.1 | -60.3 | -173.9 | 175.6 | 57 | 0 | 0 | 0 | 113.6 | D52 A76 L77 F80 L84 I85 D86 R127 V128 | D52-L82 HydrophobicContact CB-CB 3.73Å; D52-L82 PolarHBondContact OD1-N 3Å; A76-L82 HydrophobicContact CB-CD2 4.39Å; L77-L82 HydrophobicContact CD2-CD2 4.2Å; F80-L82 HydrophobicContact CD2-CB 4.08Å; F80-L82 HydrophobicContact CE2-CB 3.74Å; F80-L82 HydrophobicContact CE2-CD1 3.89Å; F80-L82 HydrophobicContact CE2-CG 4.29Å; L82-L84 PolarHBondContact O-N 2.94Å; L82-L84 VanDerWaalsContact O-N 3.15Å; L82-I85 PolarHBondContact O-N 3.29Å; L82-D86 WeakPolarHBondContact O-CB 3.38Å; L82-D86 PolarHBondContact O-N 3.27Å; L82-R127 HydrophobicContact CD1-CB 3.68Å; L82-R127 HydrophobicContact CD1-CG 4.4Å; L82-V128 HydrophobicContact CD1-CG2 3.92Å |
| 83 | T | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.006 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -58.3 | -29.4 | -177 | -61.1 | 0 | 0 | 0 | 0 | 113.6 | Y44 D52 S81 T87 S437 L440 | Y44-T83 HydrophobicContact CD1-CG2 4.03Å; Y44-T83 HydrophobicContact CD2-CG2 3.76Å; Y44-T83 HydrophobicContact CE1-CG2 4.19Å; Y44-T83 HydrophobicContact CE2-CG2 3.96Å; Y44-T83 HydrophobicContact CG-CG2 3.83Å; D52-T83 VanDerWaalsContact O-CB 3.3Å; D52-T83 WeakPolarHBondContact O-CB 3.39Å; D52-T83 PolarHBondContact O-N 3.43Å; D52-T83 PolarHBondContact O-OG1 2.79Å; S81-T83 VanDerWaalsContact C-N 3.34Å; S81-T83 PolarHBondContact O-N 3.43Å; S81-T83 VanDerWaalsContact O-N 3.13Å; T83-T87 VanDerWaalsContact O-CB 3.29Å; T83-T87 WeakPolarHBondContact O-CB 3.46Å; T83-T87 PolarHBondContact O-N 2.65Å; T83-T87 PolarHBondContact O-OG1 2.78Å; T83-S437 WeakPolarHBondContact OG1-CB 3.46Å; T83-L440 HydrophobicContact CG2-CD1 3.6Å; T83-L440 HydrophobicContact CG2-CG 4.44Å |
| 84 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -70.6 | -41.7 | 175.2 | -178.1 | 62.8 | 0 | 0 | 0 | 112.2 | Y41 Y44 M45 Y49 S81 L82 L88 A103 R106 V107 | Y41-L84 HydrophobicContact CE2-CD1 4.39Å; Y44-L84 HydrophobicContact CE1-CB 4.04Å; Y44-L84 PolarHBondContact OH-N 2.87Å; M45-L84 HydrophobicContact SD-CD1 4.02Å; Y49-L84 HydrophobicContact CD2-CD2 4.05Å; Y49-L84 HydrophobicContact CE2-CD2 3.54Å; S81-L84 WeakPolarHBondContact O-CA 3.45Å; S81-L84 WeakPolarHBondContact O-CB 3.49Å; S81-L84 PolarHBondContact O-N 2.63Å; L82-L84 PolarHBondContact O-N 2.94Å; L82-L84 VanDerWaalsContact O-N 3.15Å; L84-L88 WeakPolarHBondContact O-CG 3.37Å; L84-A103 HydrophobicContact CD1-CB 3.78Å; L84-R106 HydrophobicContact CD2-CB 3.8Å; L84-V107 HydrophobicContact CD2-CG2 3.8Å; L84-V107 HydrophobicContact CG-CG2 3.91Å |
| 85 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69.1 | -47.1 | 179.4 | -63.5 | 174.5 | 0 | 0 | 0 | 110 | F80 S81 L82 T87 L88 V107 V111 V128 L132 | F80-I85 VanDerWaalsContact O-CD1 3.24Å; F80-I85 WeakPolarHBondContact O-CD1 3.3Å; S81-I85 PolarHBondContact O-N 3.18Å; L82-I85 PolarHBondContact O-N 3.29Å; I85-T87 VanDerWaalsContact C-N 3.27Å; I85-T87 PolarHBondContact O-N 3.03Å; I85-L88 WeakPolarHBondContact O-CB 3.45Å; I85-L88 VanDerWaalsContact O-CG 3.28Å; I85-L88 WeakPolarHBondContact O-CG 3.33Å; I85-L88 PolarHBondContact O-N 3.33Å; I85-V107 HydrophobicContact CG1-CG1 4.39Å; I85-V107 HydrophobicContact CG1-CG2 4.07Å; I85-V111 HydrophobicContact CD1-CG1 4.05Å; I85-V111 HydrophobicContact CD1-CG2 4.27Å; I85-V128 HydrophobicContact CD1-CG1 3.86Å; I85-V128 HydrophobicContact CG2-CG1 4.32Å; I85-L132 HydrophobicContact CG2-CD2 4.15Å; I85-L132 HydrophobicContact CG2-CG 3.91Å |
| 86 | D | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.4 | -38.4 | -177.9 | -156 | 0.5 | 0 | 0 | 0 | 111.7 | L82 L88 S437 F438 A441 H471 | L82-D86 WeakPolarHBondContact O-CB 3.38Å; L82-D86 PolarHBondContact O-N 3.27Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 2.69Å; D86-S437 WeakPolarHBondContact OD2-CB 3.28Å; D86-S437 PolarHBondContact OD2-OG 3.12Å; D86-F438 PolarHBondContact OD2-N 3.36Å; D86-A441 HydrophobicContact CB-CB 4.27Å; D86-A441 VanDerWaalsContact CG-CB 3.48Å; D86-A441 WeakPolarHBondContact O-CB 3.41Å; D86-A441 WeakPolarHBondContact OD1-CB 3.35Å; D86-H471 PolarHBondContact O-CE1 2.83Å; D86-H471 IonicContact OD1-CE1 3.73Å; D86-H471 PolarHBondContact OD1-CE1 3.36Å; D86-H471 IonicContact OD1-NE2 2.69Å; D86-H471 PolarHBondContact OD1-NE2 3.24Å |
| 87 | T | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7.1 | -177.9 | -50.8 | 0 | 0 | 0 | 0 | 114.3 | F37 Y41 T83 I85 D89 T90 L91 L440 | F37-T87 HydrophobicContact CE2-CG2 3.63Å; F37-T87 HydrophobicContact CZ-CG2 3.47Å; F37-T87 VanDerWaalsContact CZ-CG2 3.47Å; Y41-T87 HydrophobicContact CD2-CG2 3.83Å; Y41-T87 HydrophobicContact CE2-CG2 4.15Å; T83-T87 VanDerWaalsContact O-CB 3.29Å; T83-T87 WeakPolarHBondContact O-CB 3.46Å; T83-T87 PolarHBondContact O-N 2.65Å; T83-T87 PolarHBondContact O-OG1 2.78Å; I85-T87 VanDerWaalsContact C-N 3.27Å; I85-T87 PolarHBondContact O-N 3.03Å; T87-D89 PolarHBondContact O-N 3.27Å; T87-T90 WeakPolarHBondContact O-CB 3.42Å; T87-T90 PolarHBondContact O-N 2.86Å; T87-L91 HydrophobicContact CG2-CG 4.28Å; T87-L91 PolarHBondContact O-N 3Å; T87-L91 VanDerWaalsContact O-N 3.16Å; T87-L440 HydrophobicContact CG2-CB 3.98Å; T87-L440 HydrophobicContact CG2-CD1 4.3Å; T87-L440 VanDerWaalsContact OG1-CB 3.23Å; T87-L440 WeakPolarHBondContact OG1-CB 3.26Å |
| 88 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55.3 | -51 | -168.5 | -79 | 178.5 | 0 | 0 | 0 | 114.3 | L84 I85 D86 L91 F100 A103 V104 V107 L156 | L84-L88 WeakPolarHBondContact O-CG 3.37Å; I85-L88 WeakPolarHBondContact O-CB 3.45Å; I85-L88 VanDerWaalsContact O-CG 3.28Å; I85-L88 WeakPolarHBondContact O-CG 3.33Å; I85-L88 PolarHBondContact O-N 3.33Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 2.69Å; L88-L91 PolarHBondContact O-N 2.89Å; L88-F100 HydrophobicContact CB-CE2 4.21Å; L88-F100 HydrophobicContact CD2-CD2 4.28Å; L88-F100 HydrophobicContact CD2-CE2 4.28Å; L88-F100 WeakPolarHBondContact O-CD2 3.5Å; L88-F100 WeakPolarHBondContact O-CE2 3.34Å; L88-A103 HydrophobicContact CD2-CB 3.82Å; L88-V104 HydrophobicContact CD2-CG2 4.01Å; L88-V107 HydrophobicContact CD1-CG2 4.47Å; L88-V107 HydrophobicContact CD2-CG2 4.5Å; L88-L156 HydrophobicContact CD1-CD1 4.27Å; L88-L156 HydrophobicContact CD1-CD2 4.4Å |
| 89 | D | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -73.1 | -30.8 | -177.4 | 70.5 | -18.4 | 0 | 0 | 0 | 112.5 | T87 L91 V92 L93 M138 K445 H471 L472 | T87-D89 PolarHBondContact O-N 3.27Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.21Å; D89-V92 PolarHBondContact O-N 2.97Å; D89-L93 PolarHBondContact O-N 3.47Å; D89-M138 HydrophobicContact CB-CG 3.8Å; D89-K445 VanDerWaalsContact CG-NZ 3.3Å; D89-K445 WeakPolarHBondContact OD1-CE 3.48Å; D89-K445 IonicContact OD1-NZ 3.55Å; D89-K445 PolarHBondContact OD1-NZ 3.5Å; D89-K445 IonicContact OD2-NZ 3.69Å; D89-K445 PolarHBondContact OD2-NZ 3.09Å; D89-K445 VanDerWaalsContact OD2-NZ 3.12Å; D89-H471 IonicContact OD1-ND1 3.18Å; D89-H471 VanDerWaalsContact OD2-CA 3.28Å; D89-H471 WeakPolarHBondContact OD2-CA 3.3Å; D89-H471 IonicContact OD2-ND1 3.81Å; D89-L472 PolarHBondContact OD2-N 3.13Å |
| 90 | T | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.2 | -38.9 | 174 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | F37 T87 V92 L93 L94 A441 K445 | F37-T90 HydrophobicContact CD2-CG2 4.2Å; F37-T90 HydrophobicContact CE2-CG2 3.63Å; F37-T90 HydrophobicContact CZ-CG2 4.33Å; T87-T90 WeakPolarHBondContact O-CB 3.42Å; T87-T90 PolarHBondContact O-N 2.86Å; T90-V92 PolarHBondContact O-N 3.37Å; T90-L93 PolarHBondContact O-N 3.44Å; T90-L94 HydrophobicContact CG2-CD1 3.95Å; T90-L94 HydrophobicContact CG2-CG 4.18Å; T90-L94 WeakPolarHBondContact O-CB 3.28Å; T90-L94 VanDerWaalsContact O-CG 3.3Å; T90-L94 WeakPolarHBondContact O-CG 3.49Å; T90-L94 PolarHBondContact O-N 2.97Å; T90-A441 PolarHBondContact OG1-O 3.23Å; T90-K445 HydrophobicContact CG2-CB 4.42Å; T90-K445 WeakPolarHBondContact OG1-CE 3.31Å; T90-K445 PolarHBondContact OG1-NZ 3.42Å |
| 91 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.9 | -36.1 | 173.8 | -67.7 | 170.3 | 0 | 0 | 0 | 112 | F37 Y41 T87 L88 D89 K96 E99 F100 A103 | F37-L91 HydrophobicContact CE1-CD2 3.8Å; F37-L91 HydrophobicContact CZ-CD2 3.74Å; F37-L91 HydrophobicContact CZ-CG 4.45Å; Y41-L91 HydrophobicContact CE1-CD2 4.24Å; Y41-L91 HydrophobicContact CE2-CD1 4.23Å; Y41-L91 HydrophobicContact CE2-CD2 4.23Å; T87-L91 HydrophobicContact CG2-CG 4.28Å; T87-L91 PolarHBondContact O-N 3Å; T87-L91 VanDerWaalsContact O-N 3.16Å; L88-L91 PolarHBondContact O-N 2.89Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.21Å; L91-K96 HydrophobicContact CD2-CB 4.36Å; L91-K96 HydrophobicContact CD2-CD 4.15Å; L91-K96 WeakPolarHBondContact O-CA 3.4Å; L91-K96 VanDerWaalsContact O-CB 3.32Å; L91-K96 WeakPolarHBondContact O-CB 3.23Å; L91-K96 PolarHBondContact O-N 2.88Å; L91-E99 HydrophobicContact CD2-CG 4.26Å; L91-F100 HydrophobicContact CB-CB 3.94Å; L91-A103 HydrophobicContact CD1-CB 3.74Å |
| 92 | V | 96.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -76.1 | -42.5 | 178.6 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | D89 T90 L94 N95 F100 M138 M141 L142 P458 F459 | D89-V92 PolarHBondContact O-N 2.97Å; T90-V92 PolarHBondContact O-N 3.37Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 2.99Å; V92-N95 WeakPolarHBondContact O-CA 3.35Å; V92-N95 PolarHBondContact O-N 2.87Å; V92-F100 HydrophobicContact CG2-CB 3.82Å; V92-F100 HydrophobicContact CG2-CD1 3.5Å; V92-F100 VanDerWaalsContact CG2-CD1 3.5Å; V92-F100 HydrophobicContact CG2-CD2 3.47Å; V92-F100 VanDerWaalsContact CG2-CD2 3.47Å; V92-F100 HydrophobicContact CG2-CE1 3.82Å; V92-F100 HydrophobicContact CG2-CE2 3.79Å; V92-F100 HydrophobicContact CG2-CG 3.29Å; V92-F100 HydrophobicContact CG2-CZ 3.94Å; V92-M138 HydrophobicContact CB-CB 4.08Å; V92-M138 HydrophobicContact CB-CG 4.08Å; V92-M138 HydrophobicContact CB-SD 4.05Å; V92-M138 HydrophobicContact CG1-CB 4.17Å; V92-M138 HydrophobicContact CG1-CG 4.31Å; V92-M138 HydrophobicContact CG1-SD 3.8Å; V92-M138 HydrophobicContact CG2-CB 3.89Å; V92-M138 HydrophobicContact CG2-CG 4.35Å; V92-M141 HydrophobicContact CG1-CE 3.79Å; V92-L142 HydrophobicContact CG1-CD1 3.89Å; V92-L142 HydrophobicContact CG1-CD2 4.25Å; V92-L142 HydrophobicContact CG1-CG 4.1Å; V92-L142 HydrophobicContact CG2-CD1 3.84Å; V92-P458 VanDerWaalsContact O-CG 3.29Å; V92-P458 WeakPolarHBondContact O-CG 3.39Å; V92-F459 HydrophobicContact CG1-CE1 4.27Å |
| 93 | L | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.9 | -40.5 | 175.6 | -176.4 | 69.2 | 0 | 0 | 0 | 112.6 | D89 T90 N95 K445 F448 L449 I457 P458 F459 V461 | D89-L93 PolarHBondContact O-N 3.47Å; T90-L93 PolarHBondContact O-N 3.44Å; L93-N95 PolarHBondContact O-N 3.13Å; L93-K445 HydrophobicContact CD2-CG 3.62Å; L93-F448 HydrophobicContact CD2-CD1 4.31Å; L93-F448 HydrophobicContact CG-CD1 4.14Å; L93-F448 HydrophobicContact CG-CE1 4.28Å; L93-L449 HydrophobicContact CD1-CD2 4Å; L93-L449 HydrophobicContact CD2-CD1 4.12Å; L93-L449 HydrophobicContact CD2-CD2 4.01Å; L93-L449 HydrophobicContact CD2-CG 3.94Å; L93-I457 HydrophobicContact CD1-CG2 3.83Å; L93-P458 WeakPolarHBondContact O-CD 3.47Å; L93-F459 HydrophobicContact CB-CZ 4.36Å; L93-F459 HydrophobicContact CD1-CE1 4.12Å; L93-F459 HydrophobicContact CD1-CE2 4.34Å; L93-F459 HydrophobicContact CD1-CZ 3.67Å; L93-V461 HydrophobicContact CD1-CG2 4.03Å |
| 94 | L | 96.9 | Very high | 97.3 | Very high | 12 Ų | 12 | 18.9 Ų | 18.9 | 6% | 0.063 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 9.3 | 175.2 | -61.4 | -178.7 | 0 | 0 | 0 | 113.6 | V34 F37 T90 V92 K96 F448 | V34-L94 HydrophobicContact CG2-CD2 4.39Å; F37-L94 HydrophobicContact CB-CD1 3.97Å; F37-L94 HydrophobicContact CD1-CD1 3.5Å; F37-L94 VanDerWaalsContact CD1-CD1 3.5Å; F37-L94 HydrophobicContact CD2-CD1 3.5Å; F37-L94 VanDerWaalsContact CD2-CD1 3.5Å; F37-L94 HydrophobicContact CE1-CD1 3.8Å; F37-L94 HydrophobicContact CE2-CD1 3.79Å; F37-L94 HydrophobicContact CG-CD1 3.34Å; F37-L94 HydrophobicContact CZ-CD1 3.93Å; T90-L94 HydrophobicContact CG2-CD1 3.95Å; T90-L94 HydrophobicContact CG2-CG 4.18Å; T90-L94 WeakPolarHBondContact O-CB 3.28Å; T90-L94 VanDerWaalsContact O-CG 3.3Å; T90-L94 WeakPolarHBondContact O-CG 3.49Å; T90-L94 PolarHBondContact O-N 2.97Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 2.99Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 HydrophobicContact CB-CD 4.12Å; L94-K96 HydrophobicContact CB-CG 4.27Å; L94-K96 PolarHBondContact O-N 2.94Å; L94-F448 HydrophobicContact CD2-CB 3.71Å; L94-F448 HydrophobicContact CD2-CD1 3.82Å; L94-F448 HydrophobicContact CD2-CD2 3.38Å; L94-F448 HydrophobicContact CD2-CE1 4.25Å; L94-F448 HydrophobicContact CD2-CE2 3.85Å; L94-F448 HydrophobicContact CD2-CG 3.36Å; L94-F448 HydrophobicContact CD2-CZ 4.26Å |
| 95 | N | 95 | Very high | 97.3 | Very high | 103 Ų | 103 | 24.4 Ų | 24.4 | 55% | 0.551 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 34.8 | 179.9 | -161.7 | 10.1 | 0 | 0 | 0 | 114 | V92 L93 T97 P458 | V92-N95 WeakPolarHBondContact O-CA 3.35Å; V92-N95 PolarHBondContact O-N 2.87Å; L93-N95 PolarHBondContact O-N 3.13Å; N95-T97 VanDerWaalsContact C-N 3.34Å; N95-T97 PolarHBondContact O-N 3.03Å; N95-P458 HydrophobicContact CB-CG 4.45Å |
| 96 | K | 96 | Very high | 97.3 | Very high | 36 Ų | 36 | 27.7 Ų | 27.7 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | trans | -98.2 | 45.5 | 177.2 | -60.7 | 171.2 | -179.4 | -74.5 | 0 | 110.8 | F37 D38 L91 L94 T98 E99 F100 | F37-K96 HydrophobicContact CD1-CD 4.28Å; F37-K96 HydrophobicContact CE1-CD 3.94Å; D38-K96 WeakPolarHBondContact OD1-CE 3.16Å; D38-K96 IonicContact OD1-NZ 2.63Å; D38-K96 PolarHBondContact OD1-NZ 3.32Å; D38-K96 IonicContact OD2-NZ 2.7Å; D38-K96 PolarHBondContact OD2-NZ 2.91Å; L91-K96 HydrophobicContact CD2-CB 4.36Å; L91-K96 HydrophobicContact CD2-CD 4.15Å; L91-K96 WeakPolarHBondContact O-CA 3.4Å; L91-K96 VanDerWaalsContact O-CB 3.32Å; L91-K96 WeakPolarHBondContact O-CB 3.23Å; L91-K96 PolarHBondContact O-N 2.88Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 HydrophobicContact CB-CD 4.12Å; L94-K96 HydrophobicContact CB-CG 4.27Å; L94-K96 PolarHBondContact O-N 2.94Å; K96-T98 PolarHBondContact O-N 2.9Å; K96-T98 VanDerWaalsContact O-N 3.08Å; K96-E99 HydrophobicContact CB-CB 4.37Å; K96-E99 PolarHBondContact O-N 2.83Å; K96-F100 PolarHBondContact O-N 3Å | ||
| 97 | T | 95 | Very high | 97.3 | Very high | 22 Ų | 22 | 27.7 Ų | 27.7 | 14% | 0.135 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.4 | -30.2 | -170.8 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | N95 E101 L142 N148 | N95-T97 VanDerWaalsContact C-N 3.34Å; N95-T97 PolarHBondContact O-N 3.03Å; T97-E101 WeakPolarHBondContact O-CB 3.3Å; T97-E101 PolarHBondContact O-N 2.82Å; T97-L142 HydrophobicContact CG2-CD1 4.17Å; T97-L142 HydrophobicContact CG2-CD2 3.8Å; T97-N148 PolarHBondContact OG1-OD1 2.79Å |
| 98 | T | 95.8 | Very high | 97.2 | Very high | 109 Ų | 109 | 30.4 Ų | 30.4 | 67% | 0.669 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -71.5 | -36.3 | 175 | 54 | 0 | 0 | 0 | 0 | 113.4 | K96 A102 | K96-T98 PolarHBondContact O-N 2.9Å; K96-T98 VanDerWaalsContact O-N 3.08Å; T98-A102 PolarHBondContact O-N 3.4Å |
| 99 | E | 97.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 33.2 Ų | 33.2 | 23% | 0.229 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.5 | -33.8 | 177.3 | -173.7 | 55.2 | -150.7 | 0 | 0 | 110.6 | Y41 L91 K96 A102 A103 R106 | Y41-E99 HydrophobicContact CE1-CG 3.69Å; Y41-E99 PolarHBondContact OH-OE1 2.99Å; L91-E99 HydrophobicContact CD2-CG 4.26Å; K96-E99 HydrophobicContact CB-CB 4.37Å; K96-E99 PolarHBondContact O-N 2.83Å; E99-A102 CarbonylContact O-C 3.56Å; E99-A102 WeakPolarHBondContact O-CB 3.43Å; E99-A102 PolarHBondContact O-N 3.32Å; E99-A103 VanDerWaalsContact O-CB 3.3Å; E99-A103 WeakPolarHBondContact O-CB 3.46Å; E99-A103 PolarHBondContact O-N 3.27Å; E99-R106 IonicContact OE1-CZ 3.43Å; E99-R106 IonicContact OE1-NH1 2.7Å; E99-R106 PolarHBondContact OE1-NH1 3.06Å; E99-R106 IonicContact OE1-NH2 3.18Å; E99-R106 PolarHBondContact OE1-NH2 3.5Å |
| 100 | F | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.8 | -49.6 | 166.2 | 173.4 | -109.5 | 0 | 0 | 0 | 111.7 | L88 L91 V92 K96 A102 A103 V104 G135 M138 A139 L142 M149 | L88-F100 HydrophobicContact CB-CE2 4.21Å; L88-F100 HydrophobicContact CD2-CD2 4.28Å; L88-F100 HydrophobicContact CD2-CE2 4.28Å; L88-F100 WeakPolarHBondContact O-CD2 3.5Å; L88-F100 WeakPolarHBondContact O-CE2 3.34Å; L91-F100 HydrophobicContact CB-CB 3.94Å; V92-F100 HydrophobicContact CG2-CB 3.82Å; V92-F100 HydrophobicContact CG2-CD1 3.5Å; V92-F100 VanDerWaalsContact CG2-CD1 3.5Å; V92-F100 HydrophobicContact CG2-CD2 3.47Å; V92-F100 VanDerWaalsContact CG2-CD2 3.47Å; V92-F100 HydrophobicContact CG2-CE1 3.82Å; V92-F100 HydrophobicContact CG2-CE2 3.79Å; V92-F100 HydrophobicContact CG2-CG 3.29Å; V92-F100 HydrophobicContact CG2-CZ 3.94Å; K96-F100 PolarHBondContact O-N 3Å; F100-A102 PolarHBondContact O-N 2.94Å; F100-A103 PolarHBondContact O-N 3.31Å; F100-A103 VanDerWaalsContact O-N 3.13Å; F100-V104 HydrophobicContact CD1-CG2 4.46Å; F100-V104 HydrophobicContact CD2-CG2 4.01Å; F100-V104 HydrophobicContact CE1-CG2 4.1Å; F100-V104 HydrophobicContact CE2-CG2 3.62Å; F100-V104 HydrophobicContact CG-CG2 4.43Å; F100-V104 HydrophobicContact CZ-CG2 3.68Å; F100-V104 WeakPolarHBondContact O-CG2 3.44Å; F100-V104 PolarHBondContact O-N 3.4Å; F100-G135 WeakPolarHBondContact CZ-O 3.31Å; F100-M138 HydrophobicContact CZ-CB 4.2Å; F100-A139 HydrophobicContact CE1-CB 4.2Å; F100-A139 HydrophobicContact CZ-CB 4.05Å; F100-L142 HydrophobicContact CD1-CD1 3.66Å; F100-L142 HydrophobicContact CE1-CD1 3.77Å; F100-M149 HydrophobicContact CD1-CE 4.47Å; F100-M149 HydrophobicContact CD1-CG 4.35Å; F100-M149 HydrophobicContact CD1-SD 3.9Å; F100-M149 HydrophobicContact CE1-CE 3.76Å; F100-M149 HydrophobicContact CE1-CG 3.93Å; F100-M149 HydrophobicContact CE1-SD 3.69Å; F100-M149 HydrophobicContact CZ-CE 4.37Å |
| 101 | E | 97.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 17% | 0.168 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -26.1 | 178.6 | -163 | -175.3 | 126.7 | 0 | 0 | 112.8 | T97 R105 M149 W151 | T97-E101 WeakPolarHBondContact O-CB 3.3Å; T97-E101 PolarHBondContact O-N 2.82Å; E101-R105 WeakPolarHBondContact O-CG 3.45Å; E101-R105 IonicContact OE1-CZ 3.19Å; E101-R105 IonicContact OE1-NH1 2.81Å; E101-R105 PolarHBondContact OE1-NH1 2.91Å; E101-R105 IonicContact OE1-NH2 2.74Å; E101-R105 PolarHBondContact OE1-NH2 3.13Å; E101-M149 HydrophobicContact CB-SD 3.94Å; E101-M149 HydrophobicContact CG-SD 3.66Å; E101-M149 PolarHBondContact OE2-N 3.37Å; E101-W151 VanDerWaalsContact CD-NE1 3.31Å; E101-W151 HydrophobicContact CG-CZ2 3.9Å; E101-W151 PolarHBondContact OE1-NE1 2.79Å; E101-W151 VanDerWaalsContact OE1-NE1 3.13Å |
| 102 | A | 97.6 | Very high | 96.7 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77 | -43.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T98 E99 F100 R105 R106 | T98-A102 PolarHBondContact O-N 3.4Å; E99-A102 CarbonylContact O-C 3.56Å; E99-A102 WeakPolarHBondContact O-CB 3.43Å; E99-A102 PolarHBondContact O-N 3.32Å; F100-A102 PolarHBondContact O-N 2.94Å; A102-R105 PolarHBondContact O-N 3.12Å; A102-R106 WeakPolarHBondContact O-CG 3.36Å; A102-R106 PolarHBondContact O-N 3.14Å |
| 103 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L84 L88 L91 E99 F100 R105 R106 V107 | L84-A103 HydrophobicContact CD1-CB 3.78Å; L88-A103 HydrophobicContact CD2-CB 3.82Å; L91-A103 HydrophobicContact CD1-CB 3.74Å; E99-A103 VanDerWaalsContact O-CB 3.3Å; E99-A103 WeakPolarHBondContact O-CB 3.46Å; E99-A103 PolarHBondContact O-N 3.27Å; F100-A103 PolarHBondContact O-N 3.31Å; F100-A103 VanDerWaalsContact O-N 3.13Å; A103-R105 VanDerWaalsContact C-N 3.31Å; A103-R105 PolarHBondContact O-N 2.97Å; A103-R106 WeakPolarHBondContact O-CB 3.49Å; A103-R106 PolarHBondContact O-N 3.18Å; A103-R106 VanDerWaalsContact O-N 3.13Å; A103-V107 WeakPolarHBondContact O-CG2 3.43Å; A103-V107 PolarHBondContact O-N 3.2Å |
| 104 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 174.3 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | L88 F100 R106 V107 L108 M149 W151 L156 | L88-V104 HydrophobicContact CD2-CG2 4.01Å; F100-V104 HydrophobicContact CD1-CG2 4.46Å; F100-V104 HydrophobicContact CD2-CG2 4.01Å; F100-V104 HydrophobicContact CE1-CG2 4.1Å; F100-V104 HydrophobicContact CE2-CG2 3.62Å; F100-V104 HydrophobicContact CG-CG2 4.43Å; F100-V104 HydrophobicContact CZ-CG2 3.68Å; F100-V104 WeakPolarHBondContact O-CG2 3.44Å; F100-V104 PolarHBondContact O-N 3.4Å; V104-R106 PolarHBondContact O-N 2.86Å; V104-V107 PolarHBondContact O-N 2.93Å; V104-L108 HydrophobicContact CG1-CD1 4.23Å; V104-L108 HydrophobicContact CG1-CG 4.42Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.3Å; V104-L108 PolarHBondContact O-N 3.03Å; V104-M149 HydrophobicContact CB-CE 4.29Å; V104-M149 HydrophobicContact CG1-CE 4.15Å; V104-M149 HydrophobicContact CG2-CE 4.13Å; V104-W151 HydrophobicContact CG1-CH2 3.96Å; V104-L156 HydrophobicContact CG1-CD1 4.02Å; V104-L156 HydrophobicContact CG1-CD2 4.16Å; V104-L156 HydrophobicContact CG1-CG 4.06Å; V104-L156 HydrophobicContact CG2-CD1 4.04Å |
| 105 | R | 97.9 | Very high | 96.3 | Very high | 117 Ų | 117 | 48.9 Ų | 48.9 | 44% | 0.442 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 176 | -73.8 | -176.4 | -177.4 | 110.5 | -0.2 | 113.2 | E101 A102 A103 L108 S109 W151 | E101-R105 WeakPolarHBondContact O-CG 3.45Å; E101-R105 IonicContact OE1-CZ 3.19Å; E101-R105 IonicContact OE1-NH1 2.81Å; E101-R105 PolarHBondContact OE1-NH1 2.91Å; E101-R105 IonicContact OE1-NH2 2.74Å; E101-R105 PolarHBondContact OE1-NH2 3.13Å; A102-R105 PolarHBondContact O-N 3.12Å; A103-R105 VanDerWaalsContact C-N 3.31Å; A103-R105 PolarHBondContact O-N 2.97Å; R105-L108 PolarHBondContact O-N 3.13Å; R105-S109 PolarHBondContact O-N 3.42Å; R105-S109 PolarHBondContact O-OG 2.84Å; R105-W151 HydrophobicContact CG-CH2 3.91Å; R105-W151 HydrophobicContact CG-CZ2 3.91Å; R105-W151 VanDerWaalsContact NH2-CD1 3.34Å |
| 106 | R | 97.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 26% | 0.26 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 173.7 | -71.6 | -174.9 | -160.7 | 110.9 | -3 | 111.9 | Y49 L84 E99 A102 A103 V104 L108 S109 D110 | Y49-R106 HydrophobicContact CE2-CB 4.4Å; Y49-R106 WeakPolarHBondContact OH-CB 3.29Å; L84-R106 HydrophobicContact CD2-CB 3.8Å; E99-R106 IonicContact OE1-CZ 3.43Å; E99-R106 IonicContact OE1-NH1 2.7Å; E99-R106 PolarHBondContact OE1-NH1 3.06Å; E99-R106 IonicContact OE1-NH2 3.18Å; E99-R106 PolarHBondContact OE1-NH2 3.5Å; A102-R106 WeakPolarHBondContact O-CG 3.36Å; A102-R106 PolarHBondContact O-N 3.14Å; A103-R106 WeakPolarHBondContact O-CB 3.49Å; A103-R106 PolarHBondContact O-N 3.18Å; A103-R106 VanDerWaalsContact O-N 3.13Å; V104-R106 PolarHBondContact O-N 2.86Å; R106-L108 PolarHBondContact O-N 3.31Å; R106-S109 PolarHBondContact O-N 3.28Å; R106-S109 PolarHBondContact O-OG 2.93Å; R106-D110 PolarHBondContact O-N 3.38Å |
| 107 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -48.7 | 174.2 | 171 | 0 | 0 | 0 | 0 | 110.4 | L84 I85 L88 A103 V104 S109 V111 L132 L156 M159 | L84-V107 HydrophobicContact CD2-CG2 3.8Å; L84-V107 HydrophobicContact CG-CG2 3.91Å; I85-V107 HydrophobicContact CG1-CG1 4.39Å; I85-V107 HydrophobicContact CG1-CG2 4.07Å; L88-V107 HydrophobicContact CD1-CG2 4.47Å; L88-V107 HydrophobicContact CD2-CG2 4.5Å; A103-V107 WeakPolarHBondContact O-CG2 3.43Å; A103-V107 PolarHBondContact O-N 3.2Å; V104-V107 PolarHBondContact O-N 2.93Å; V107-S109 VanDerWaalsContact C-N 3.3Å; V107-S109 PolarHBondContact O-N 3.1Å; V107-V111 HydrophobicContact CB-CG2 4.33Å; V107-V111 HydrophobicContact CG1-CB 4.41Å; V107-V111 HydrophobicContact CG1-CG2 4.13Å; V107-V111 HydrophobicContact CG2-CG2 4.42Å; V107-V111 VanDerWaalsContact O-CB 3.31Å; V107-V111 WeakPolarHBondContact O-CB 3.43Å; V107-V111 PolarHBondContact O-N 3.07Å; V107-L132 HydrophobicContact CG1-CD2 4.19Å; V107-L156 HydrophobicContact CB-CD2 4.47Å; V107-L156 HydrophobicContact CG1-CD2 3.86Å; V107-M159 HydrophobicContact CG1-CE 3.94Å; V107-M159 HydrophobicContact CG1-SD 4.04Å |
| 108 | L | 97.4 | Very high | 96.1 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.8 | -26.7 | 179.3 | -63.5 | 179.6 | 0 | 0 | 0 | 114.1 | V104 R105 R106 W151 E155 L156 M159 | V104-L108 HydrophobicContact CG1-CD1 4.23Å; V104-L108 HydrophobicContact CG1-CG 4.42Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.3Å; V104-L108 PolarHBondContact O-N 3.03Å; R105-L108 PolarHBondContact O-N 3.13Å; R106-L108 PolarHBondContact O-N 3.31Å; L108-W151 HydrophobicContact CD1-CH2 4.15Å; L108-W151 HydrophobicContact CD1-CZ3 4.01Å; L108-E155 HydrophobicContact CD1-CB 3.71Å; L108-E155 HydrophobicContact CD1-CG 4.09Å; L108-E155 HydrophobicContact CD2-CB 3.47Å; L108-E155 VanDerWaalsContact CD2-CB 3.47Å; L108-E155 HydrophobicContact CG-CB 4.25Å; L108-L156 HydrophobicContact CD2-CD2 4.41Å; L108-M159 HydrophobicContact CD2-SD 3.69Å |
| 109 | S | 96.4 | Very high | 96.1 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -87.8 | -42.6 | 179.7 | 65.3 | 0 | 0 | 0 | 0 | 113.4 | R105 R106 V107 R112 | R105-S109 PolarHBondContact O-N 3.42Å; R105-S109 PolarHBondContact O-OG 2.84Å; R106-S109 PolarHBondContact O-N 3.28Å; R106-S109 PolarHBondContact O-OG 2.93Å; V107-S109 VanDerWaalsContact C-N 3.3Å; V107-S109 PolarHBondContact O-N 3.1Å; S109-R112 VanDerWaalsContact O-CZ 3.31Å; S109-R112 PolarHBondContact O-NH1 3.37Å; S109-R112 PolarHBondContact O-NH2 3.19Å |
| 110 | D | 94.6 | Very high | 96.1 | Very high | 79 Ų | 79 | 39.9 Ų | 39.9 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -110.3 | -27.9 | -161 | -66.2 | 16.1 | 0 | 0 | 0 | 113.3 | Y49 R106 | Y49-D110 VanDerWaalsContact OH-CG 3.23Å; Y49-D110 PolarHBondContact OH-OD2 2.83Å; R106-D110 PolarHBondContact O-N 3.38Å |
| 111 | V | 95.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | trans | -72.8 | 136.9 | -176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | F80 I85 V107 L113 M159 | F80-V111 HydrophobicContact CB-CG1 3.88Å; F80-V111 VanDerWaalsContact O-CG2 3.31Å; F80-V111 WeakPolarHBondContact O-CG2 3.45Å; I85-V111 HydrophobicContact CD1-CG1 4.05Å; I85-V111 HydrophobicContact CD1-CG2 4.27Å; V107-V111 HydrophobicContact CB-CG2 4.33Å; V107-V111 HydrophobicContact CG1-CB 4.41Å; V107-V111 HydrophobicContact CG1-CG2 4.13Å; V107-V111 HydrophobicContact CG2-CG2 4.42Å; V107-V111 VanDerWaalsContact O-CB 3.31Å; V107-V111 WeakPolarHBondContact O-CB 3.43Å; V107-V111 PolarHBondContact O-N 3.07Å; V111-L113 HydrophobicContact CG1-CD2 4.15Å; V111-M159 HydrophobicContact CB-CE 3.96Å; V111-M159 HydrophobicContact CG1-CE 3.71Å | ||
| 112 | R | 94.1 | Very high | 96.1 | Very high | 121 Ų | 121 | 39.6 Ų | 39.6 | 46% | 0.457 | 20% | 0.198 | S | C | . | . | trans | -126 | 138.4 | 174.3 | -59 | -62 | 173.9 | -93.8 | -7.6 | 110 | S109 N115 | S109-R112 VanDerWaalsContact O-CZ 3.31Å; S109-R112 PolarHBondContact O-NH1 3.37Å; S109-R112 PolarHBondContact O-NH2 3.19Å; R112-N115 PolarHBondContact O-ND2 3.32Å | ||
| 113 | L | 95.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -112.3 | -0.5 | -177.6 | -58.3 | 174.8 | 0 | 0 | 0 | 111.9 | F80 V111 M159 L163 R166 | F80-L113 HydrophobicContact CB-CD2 4.35Å; V111-L113 HydrophobicContact CG1-CD2 4.15Å; L113-M159 HydrophobicContact CD1-CB 4.21Å; L113-M159 HydrophobicContact CD1-CE 4.23Å; L113-L163 HydrophobicContact CD1-CB 4.19Å; L113-L163 HydrophobicContact CD2-CD1 4.47Å; L113-R166 WeakPolarHBondContact O-CD 3.22Å; L113-R166 PolarHBondContact O-NE 3.03Å; L113-R166 PolarHBondContact O-NH1 3.36Å |
| 114 | D | 94.2 | Very high | 96.2 | Very high | 88 Ų | 88 | 40.4 Ų | 40.4 | 47% | 0.471 | 20% | 0.197 | S | C | . | . | trans | -104.1 | 24 | 178.5 | 63.5 | -40.4 | 0 | 0 | 0 | 113.4 | K185 | D114-K185 WeakPolarHBondContact O-CB 3.17Å; D114-K185 WeakPolarHBondContact O-CD 3.34Å | ||
| 115 | N | 92.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | trans | -64.3 | 139.1 | 174.7 | -69.1 | -31.6 | 0 | 0 | 0 | 111.5 | G78 K79 R112 I117 K185 | G78-N115 PolarHBondContact O-ND2 3.08Å; K79-N115 PolarHBondContact O-ND2 3.17Å; R112-N115 PolarHBondContact O-ND2 3.32Å; N115-I117 VanDerWaalsContact C-N 3.27Å; N115-I117 HydrophobicContact CB-CB 4.44Å; N115-I117 HydrophobicContact CB-CG2 3.61Å; N115-I117 PolarHBondContact O-N 3.1Å; N115-K185 WeakPolarHBondContact O-CB 3.42Å | ||
| 116 | D | 94.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 35 Ų | 35 | 42% | 0.417 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -79.6 | 75.3 | 171.7 | -177 | 21.1 | 0 | 0 | 0 | 111 | N183 K185 H186 R194 | D116-N183 PolarHBondContact OD1-ND2 2.86Å; D116-K185 HydrophobicContact CB-CD 4Å; D116-H186 IonicContact OD1-CD2 3.26Å; D116-H186 PolarHBondContact OD1-CD2 3.12Å; D116-H186 IonicContact OD1-NE2 3.58Å; D116-R194 PolarHBondContact O-NH2 2.88Å; D116-R194 IonicContact OD1-CZ 2.7Å; D116-R194 IonicContact OD1-NH2 3.03Å; D116-R194 PolarHBondContact OD1-NH2 3.47Å; D116-R194 IonicContact OD2-NH2 3.32Å; D116-R194 PolarHBondContact OD2-NH2 2.92Å |
| 117 | I | 93.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 8% | 0.077 | 17% | 0.168 | C | C | . | . | trans | -145.3 | 138.1 | -173.5 | -167 | 159 | 0 | 0 | 0 | 110.3 | L77 K79 N115 V119 N183 L184 | L77-I117 WeakPolarHBondContact O-CD1 3.47Å; K79-I117 HydrophobicContact CD-CD1 4.12Å; K79-I117 HydrophobicContact CG-CD1 4.06Å; N115-I117 VanDerWaalsContact C-N 3.27Å; N115-I117 HydrophobicContact CB-CB 4.44Å; N115-I117 HydrophobicContact CB-CG2 3.61Å; N115-I117 PolarHBondContact O-N 3.1Å; I117-V119 HydrophobicContact CG2-CG1 4.12Å; I117-N183 WeakPolarHBondContact O-CA 3.35Å; I117-L184 HydrophobicContact CG2-CD1 3.98Å; I117-L184 HydrophobicContact CG2-CG 4.45Å; I117-L184 PolarHBondContact O-N 3Å | ||
| 118 | V | 94.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 32.7 Ų | 32.7 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.1 | 173.3 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | R64 R181 I182 N183 T193 R194 T195 | R64-V118 PolarHBondContact NH1-O 2.74Å; V118-R181 HydrophobicContact CG1-CB 3.86Å; V118-R181 HydrophobicContact CG1-CG 4.18Å; V118-I182 CarbonylContact C-O 3.45Å; V118-I182 WeakPolarHBondContact CA-O 3.43Å; V118-N183 HydrophobicContact CG2-CB 4.34Å; V118-T193 WeakPolarHBondContact CG2-O 3.46Å; V118-R194 HydrophobicContact CG2-CB 4.08Å; V118-T195 HydrophobicContact CG1-CG2 3.99Å; V118-T195 HydrophobicContact CG2-CG2 3.98Å |
| 119 | V | 96 | Very high | 96.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 158.5 | 179.7 | -60.6 | 0 | 0 | 0 | 0 | 111 | D75 F80 I117 T124 R181 I182 L184 | D75-V119 CarbonylContact O-C 3.58Å; D75-V119 VanDerWaalsContact O-CA 3.26Å; D75-V119 WeakPolarHBondContact O-CA 3.33Å; D75-V119 WeakPolarHBondContact O-CB 3.19Å; F80-V119 HydrophobicContact CE1-CG1 4.46Å; I117-V119 HydrophobicContact CG2-CG1 4.12Å; V119-T124 HydrophobicContact CG2-CG2 4.45Å; V119-T124 VanDerWaalsContact CG2-OG1 3.28Å; V119-T124 WeakPolarHBondContact CG2-OG1 3.33Å; V119-R181 CarbonylContact O-C 3.58Å; V119-R181 VanDerWaalsContact O-CA 3.3Å; V119-R181 WeakPolarHBondContact O-CA 3.27Å; V119-I182 HydrophobicContact CG2-CG2 3.99Å; V119-I182 PolarHBondContact N-O 2.73Å; V119-I182 PolarHBondContact O-N 2.83Å; V119-L184 HydrophobicContact CG1-CD1 4.03Å; V119-L184 HydrophobicContact CG1-CG 4.2Å; V119-L184 HydrophobicContact CG2-CD1 4.31Å; V119-L184 HydrophobicContact CG2-CD2 3.75Å; V119-L184 HydrophobicContact CG2-CG 3.75Å |
| 120 | S | 96.9 | Very high | 96.4 | Very high | 19 Ų | 19 | 27.2 Ų | 27.2 | 13% | 0.133 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127 | 170.8 | 172 | 0 | 0 | 0 | 0 | 109.4 | D75 F122 E123 T124 P180 | D75-S120 PolarHBondContact O-N 3.32Å; S120-F122 VanDerWaalsContact C-N 3.27Å; S120-F122 PolarHBondContact O-N 2.8Å; S120-E123 WeakPolarHBondContact OG-CG 3.36Å; S120-E123 PolarHBondContact OG-N 3.04Å; S120-T124 WeakPolarHBondContact O-CB 3.26Å; S120-T124 PolarHBondContact O-N 3.49Å; S120-T124 PolarHBondContact O-OG1 3.22Å; S120-P180 WeakPolarHBondContact CA-O 3.42Å |
| 121 | V | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 179.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | N125 A170 P178 Y179 P180 I182 M209 | V121-N125 VanDerWaalsContact O-CB 3.28Å; V121-N125 WeakPolarHBondContact O-CB 3.49Å; V121-N125 PolarHBondContact O-N 3.39Å; V121-N125 VanDerWaalsContact O-N 3.08Å; V121-A170 HydrophobicContact CG1-CB 4.12Å; V121-A170 HydrophobicContact CG2-CB 3.71Å; V121-P178 HydrophobicContact CG1-CB 4.15Å; V121-Y179 WeakPolarHBondContact CG2-O 3.2Å; V121-P180 PolarHBondContact N-O 2.69Å; V121-I182 HydrophobicContact CG2-CB 3.81Å; V121-I182 HydrophobicContact CG2-CG2 3.54Å; V121-M209 HydrophobicContact CG1-CE 3.69Å; V121-M209 HydrophobicContact CG1-SD 4.42Å |
| 122 | F | 98.1 | Very high | 96.7 | Very high | 29 Ų | 29 | 23 Ų | 23 | 13% | 0.127 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.1 | -55.9 | 178.4 | 167.5 | -104 | 0 | 0 | 0 | 111.8 | S120 T124 N125 I126 A204 C205 T208 | S120-F122 VanDerWaalsContact C-N 3.27Å; S120-F122 PolarHBondContact O-N 2.8Å; F122-T124 VanDerWaalsContact C-N 3.32Å; F122-T124 PolarHBondContact O-N 3.17Å; F122-N125 WeakPolarHBondContact O-CB 3.35Å; F122-N125 PolarHBondContact O-N 3.07Å; F122-N125 VanDerWaalsContact O-N 3.09Å; F122-I126 HydrophobicContact CD1-CD1 4.13Å; F122-I126 HydrophobicContact CD2-CD1 4.5Å; F122-I126 HydrophobicContact CD2-CG2 4.38Å; F122-I126 HydrophobicContact CE1-CD1 3.64Å; F122-I126 HydrophobicContact CE2-CD1 4.06Å; F122-I126 HydrophobicContact CE2-CG2 4.26Å; F122-I126 HydrophobicContact CZ-CD1 3.6Å; F122-I126 PolarHBondContact O-N 3.41Å; F122-A204 HydrophobicContact CE2-CB 4.28Å; F122-C205 HydrophobicContact CB-CB 4.26Å; F122-T208 HydrophobicContact CE2-CG2 3.95Å |
| 123 | E | 97.9 | Very high | 97 | Very high | 46 Ų | 46 | 17.3 Ų | 17.3 | 22% | 0.215 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | -179.5 | -56.6 | -69.3 | 159.6 | 0 | 0 | 111.1 | A76 S120 N125 R127 | A76-E123 HydrophobicContact CB-CB 3.88Å; A76-E123 HydrophobicContact CB-CG 4.03Å; S120-E123 WeakPolarHBondContact OG-CG 3.36Å; S120-E123 PolarHBondContact OG-N 3.04Å; E123-N125 VanDerWaalsContact C-N 3.29Å; E123-N125 PolarHBondContact O-N 2.8Å; E123-R127 WeakPolarHBondContact O-CG 3.39Å; E123-R127 PolarHBondContact O-N 3.24Å; E123-R127 VanDerWaalsContact O-N 3.09Å; E123-R127 IonicContact OE2-CZ 3.64Å; E123-R127 VanDerWaalsContact OE2-CZ 3.26Å; E123-R127 IonicContact OE2-NE 2.78Å; E123-R127 PolarHBondContact OE2-NE 3.07Å; E123-R127 IonicContact OE2-NH2 3.72Å; E123-R127 PolarHBondContact OE2-NH2 2.82Å |
| 124 | T | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -66.4 | -31.9 | 177.8 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | V119 S120 F122 V128 L129 L163 L167 | V119-T124 HydrophobicContact CG2-CG2 4.45Å; V119-T124 VanDerWaalsContact CG2-OG1 3.28Å; V119-T124 WeakPolarHBondContact CG2-OG1 3.33Å; S120-T124 WeakPolarHBondContact O-CB 3.26Å; S120-T124 PolarHBondContact O-N 3.49Å; S120-T124 PolarHBondContact O-OG1 3.22Å; F122-T124 VanDerWaalsContact C-N 3.32Å; F122-T124 PolarHBondContact O-N 3.17Å; T124-V128 HydrophobicContact CG2-CB 4.33Å; T124-V128 HydrophobicContact CG2-CG2 4.3Å; T124-V128 VanDerWaalsContact O-CB 3.31Å; T124-V128 WeakPolarHBondContact O-CB 3.23Å; T124-V128 PolarHBondContact O-N 3.37Å; T124-L129 PolarHBondContact O-N 3.24Å; T124-L163 HydrophobicContact CG2-CD1 3.77Å; T124-L163 HydrophobicContact CG2-CD2 4.12Å; T124-L163 HydrophobicContact CG2-CG 4.33Å; T124-L167 HydrophobicContact CG2-CD1 4.38Å; T124-L167 HydrophobicContact CG2-CD2 4.12Å |
| 125 | N | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -69.4 | -59.7 | 173 | 179.9 | 75.3 | 0 | 0 | 0 | 111.3 | V121 F122 E123 R127 L129 G130 L167 T208 M209 E212 F213 | V121-N125 VanDerWaalsContact O-CB 3.28Å; V121-N125 WeakPolarHBondContact O-CB 3.49Å; V121-N125 PolarHBondContact O-N 3.39Å; V121-N125 VanDerWaalsContact O-N 3.08Å; F122-N125 WeakPolarHBondContact O-CB 3.35Å; F122-N125 PolarHBondContact O-N 3.07Å; F122-N125 VanDerWaalsContact O-N 3.09Å; E123-N125 VanDerWaalsContact C-N 3.29Å; E123-N125 PolarHBondContact O-N 2.8Å; N125-R127 PolarHBondContact O-N 3.31Å; N125-L129 WeakPolarHBondContact O-CB 3.49Å; N125-L129 PolarHBondContact O-N 3.15Å; N125-G130 PolarHBondContact O-N 3.18Å; N125-L167 HydrophobicContact CB-CD1 4.41Å; N125-T208 PolarHBondContact ND2-O 3.3Å; N125-M209 HydrophobicContact CB-CE 3.65Å; N125-M209 HydrophobicContact CB-SD 3.67Å; N125-E212 VanDerWaalsContact ND2-CD 3.28Å; N125-E212 PolarHBondContact ND2-OE2 2.92Å; N125-F213 VanDerWaalsContact OD1-CD1 3.27Å; N125-F213 WeakPolarHBondContact OD1-CD1 3.36Å; N125-F213 WeakPolarHBondContact OD1-CE1 3.44Å |
| 126 | I | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 11.2 Ų | 11.2 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -66.5 | -40.4 | -168.9 | 66.4 | -171.1 | 0 | 0 | 0 | 112.3 | F122 G130 T208 T468 E469 H471 | F122-I126 HydrophobicContact CD1-CD1 4.13Å; F122-I126 HydrophobicContact CD2-CD1 4.5Å; F122-I126 HydrophobicContact CD2-CG2 4.38Å; F122-I126 HydrophobicContact CE1-CD1 3.64Å; F122-I126 HydrophobicContact CE2-CD1 4.06Å; F122-I126 HydrophobicContact CE2-CG2 4.26Å; F122-I126 HydrophobicContact CZ-CD1 3.6Å; F122-I126 PolarHBondContact O-N 3.41Å; I126-G130 WeakPolarHBondContact O-CA 3.24Å; I126-T208 HydrophobicContact CG2-CG2 3.87Å; I126-T468 HydrophobicContact CB-CG2 3.99Å; I126-T468 HydrophobicContact CD1-CG2 4.09Å; I126-T468 HydrophobicContact CG2-CG2 3.8Å; I126-E469 HydrophobicContact CB-CB 4.45Å; I126-E469 VanDerWaalsContact CD1-OE2 3.23Å; I126-E469 WeakPolarHBondContact CD1-OE2 3.37Å; I126-E469 WeakPolarHBondContact CG1-OE2 3.38Å; I126-H471 PolarHBondContact O-CD2 3.03Å; I126-H471 PolarHBondContact O-NE2 3.14Å |
| 127 | R | 98.4 | Very high | 97.7 | Very high | 18 Ų | 18 | 7.8 Ų | 7.8 | 7% | 0.068 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -90.9 | -47.4 | -177.3 | -41.2 | -160.3 | -163.7 | -175.1 | 1.3 | 113.9 | L82 E123 N125 G131 S437 E469 H471 | L82-R127 HydrophobicContact CD1-CB 3.68Å; L82-R127 HydrophobicContact CD1-CG 4.4Å; E123-R127 WeakPolarHBondContact O-CG 3.39Å; E123-R127 PolarHBondContact O-N 3.24Å; E123-R127 VanDerWaalsContact O-N 3.09Å; E123-R127 IonicContact OE2-CZ 3.64Å; E123-R127 VanDerWaalsContact OE2-CZ 3.26Å; E123-R127 IonicContact OE2-NE 2.78Å; E123-R127 PolarHBondContact OE2-NE 3.07Å; E123-R127 IonicContact OE2-NH2 3.72Å; E123-R127 PolarHBondContact OE2-NH2 2.82Å; N125-R127 PolarHBondContact O-N 3.31Å; R127-G131 WeakPolarHBondContact O-CA 3.29Å; R127-G131 PolarHBondContact O-N 3.21Å; R127-S437 WeakPolarHBondContact CD-OG 3.31Å; R127-S437 PolarHBondContact NH1-OG 3.39Å; R127-E469 HydrophobicContact CB-CG 4.45Å; R127-E469 WeakPolarHBondContact CD-OE1 3.46Å; R127-E469 VanDerWaalsContact CG-CD 3.5Å; R127-E469 HydrophobicContact CG-CG 3.93Å; R127-E469 VanDerWaalsContact CG-OE1 3.29Å; R127-E469 WeakPolarHBondContact CG-OE1 3.15Å; R127-E469 IonicContact CZ-OE1 2.68Å; R127-E469 IonicContact NE-OE1 2.66Å; R127-E469 PolarHBondContact NE-OE1 3.48Å; R127-H471 PolarHBondContact O-NE2 3.33Å |
| 128 | V | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.006 | 4% | 0.036 | C | C | . | . | I | π-helix | trans | -87.2 | -50.8 | -170 | -165.1 | 0 | 0 | 0 | 0 | 110.9 | F80 L82 I85 T124 L132 L163 | F80-V128 HydrophobicContact CD2-CG1 4.45Å; F80-V128 HydrophobicContact CD2-CG2 4.05Å; F80-V128 HydrophobicContact CE1-CG2 4.13Å; F80-V128 HydrophobicContact CE2-CG2 3.37Å; F80-V128 HydrophobicContact CZ-CG2 3.44Å; F80-V128 VanDerWaalsContact CZ-CG2 3.44Å; L82-V128 HydrophobicContact CD1-CG2 3.92Å; I85-V128 HydrophobicContact CD1-CG1 3.86Å; I85-V128 HydrophobicContact CG2-CG1 4.32Å; T124-V128 HydrophobicContact CG2-CB 4.33Å; T124-V128 HydrophobicContact CG2-CG2 4.3Å; T124-V128 VanDerWaalsContact O-CB 3.31Å; T124-V128 WeakPolarHBondContact O-CB 3.23Å; T124-V128 PolarHBondContact O-N 3.37Å; V128-L132 HydrophobicContact CG1-CD1 4.39Å; V128-L132 WeakPolarHBondContact O-CB 3.4Å; V128-L132 WeakPolarHBondContact O-CG 3.3Å; V128-L132 PolarHBondContact O-N 3.28Å; V128-L163 HydrophobicContact CB-CD2 3.79Å; V128-L163 HydrophobicContact CG1-CD2 3.59Å |
| 129 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | I | π-helix | trans | -68.7 | -42.9 | 174.2 | -176.2 | 60.6 | 0 | 0 | 0 | 110.5 | T124 N125 L132 L133 A160 L163 E212 F213 L216 | T124-L129 PolarHBondContact O-N 3.24Å; N125-L129 WeakPolarHBondContact O-CB 3.49Å; N125-L129 PolarHBondContact O-N 3.15Å; L129-L132 PolarHBondContact O-N 3.02Å; L129-L133 HydrophobicContact CD1-CD1 4.04Å; L129-L133 HydrophobicContact CD1-CG 4.21Å; L129-L133 HydrophobicContact CG-CD1 3.87Å; L129-L133 HydrophobicContact CG-CG 4.46Å; L129-L133 WeakPolarHBondContact O-CB 2.93Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 3.09Å; L129-A160 HydrophobicContact CD1-CB 3.62Å; L129-A160 VanDerWaalsContact CD1-O 3.29Å; L129-A160 WeakPolarHBondContact CD1-O 3.33Å; L129-L163 HydrophobicContact CB-CD2 4.04Å; L129-E212 HydrophobicContact CD2-CB 3.93Å; L129-E212 HydrophobicContact CG-CB 4.07Å; L129-F213 HydrophobicContact CD2-CD1 3.68Å; L129-F213 HydrophobicContact CD2-CE1 3.61Å; L129-L216 HydrophobicContact CD1-CD2 4.22Å; L129-L216 HydrophobicContact CD2-CD2 4.29Å |
| 130 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -55.7 | -53.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N125 I126 L132 L133 G134 | N125-G130 PolarHBondContact O-N 3.18Å; I126-G130 WeakPolarHBondContact O-CA 3.24Å; G130-L132 PolarHBondContact O-N 3.03Å; G130-L133 PolarHBondContact O-N 3.33Å; G130-L133 VanDerWaalsContact O-N 3.13Å; G130-G134 PolarHBondContact O-N 2.89Å |
| 131 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.7 | -36.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | R127 G135 H471 | R127-G131 WeakPolarHBondContact O-CA 3.29Å; R127-G131 PolarHBondContact O-N 3.21Å; G131-G135 WeakPolarHBondContact O-CA 3.25Å; G131-G135 PolarHBondContact O-N 3.02Å; G131-H471 VanDerWaalsContact CA-CE1 3.48Å; G131-H471 WeakPolarHBondContact CA-CE1 3.29Å; G131-H471 PolarHBondContact N-CD2 3.26Å; G131-H471 VanDerWaalsContact N-CD2 3.3Å; G131-H471 PolarHBondContact N-NE2 2.94Å; G131-H471 VanDerWaalsContact N-NE2 3.17Å |
| 132 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 172.1 | -71.3 | 172.2 | 0 | 0 | 0 | 112.3 | I85 V107 V128 L129 G130 H136 L156 M159 A160 L163 | I85-L132 HydrophobicContact CG2-CD2 4.15Å; I85-L132 HydrophobicContact CG2-CG 3.91Å; V107-L132 HydrophobicContact CG1-CD2 4.19Å; V128-L132 HydrophobicContact CG1-CD1 4.39Å; V128-L132 WeakPolarHBondContact O-CB 3.4Å; V128-L132 WeakPolarHBondContact O-CG 3.3Å; V128-L132 PolarHBondContact O-N 3.28Å; L129-L132 PolarHBondContact O-N 3.02Å; G130-L132 PolarHBondContact O-N 3.03Å; L132-H136 VanDerWaalsContact O-CB 3.26Å; L132-H136 WeakPolarHBondContact O-CB 3.37Å; L132-H136 PolarHBondContact O-N 2.89Å; L132-L156 HydrophobicContact CD2-CB 4.44Å; L132-L156 HydrophobicContact CD2-CD2 3.77Å; L132-M159 HydrophobicContact CD1-CB 4.11Å; L132-M159 HydrophobicContact CD2-CB 4.39Å; L132-A160 HydrophobicContact CB-CB 4.06Å; L132-L163 HydrophobicContact CD1-CD2 4.37Å |
| 133 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -75.6 | -39.4 | 178.7 | -69.5 | 170.7 | 0 | 0 | 0 | 112.8 | L129 G130 H136 S137 L157 A160 E212 A215 L216 F219 L473 | L129-L133 HydrophobicContact CD1-CD1 4.04Å; L129-L133 HydrophobicContact CD1-CG 4.21Å; L129-L133 HydrophobicContact CG-CD1 3.87Å; L129-L133 HydrophobicContact CG-CG 4.46Å; L129-L133 WeakPolarHBondContact O-CB 2.93Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 3.09Å; G130-L133 PolarHBondContact O-N 3.33Å; G130-L133 VanDerWaalsContact O-N 3.13Å; L133-H136 PolarHBondContact O-N 2.87Å; L133-S137 WeakPolarHBondContact O-CB 3.4Å; L133-S137 PolarHBondContact O-N 2.93Å; L133-S137 PolarHBondContact O-OG 2.97Å; L133-L157 HydrophobicContact CD2-CD1 4.14Å; L133-A160 HydrophobicContact CD2-CB 4.01Å; L133-A160 HydrophobicContact CG-CB 4.29Å; L133-E212 HydrophobicContact CD1-CB 4.01Å; L133-E212 VanDerWaalsContact CD1-O 3.32Å; L133-E212 WeakPolarHBondContact CD1-O 3.2Å; L133-A215 HydrophobicContact CD1-CB 4.26Å; L133-L216 HydrophobicContact CD1-CB 4.27Å; L133-L216 HydrophobicContact CD2-CB 4.36Å; L133-L216 HydrophobicContact CD2-CD1 4.18Å; L133-F219 HydrophobicContact CD2-CD2 3.94Å; L133-F219 HydrophobicContact CD2-CE2 4.38Å; L133-L473 HydrophobicContact CB-CD2 3.94Å |
| 134 | G | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65 | -46.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G130 H136 S137 M138 | G130-G134 PolarHBondContact O-N 2.89Å; G134-H136 PolarHBondContact O-N 2.89Å; G134-S137 WeakPolarHBondContact O-CB 3.28Å; G134-S137 PolarHBondContact O-N 3.27Å; G134-M138 WeakPolarHBondContact O-CG 3.32Å; G134-M138 PolarHBondContact O-N 3.23Å |
| 135 | G | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F100 G131 A139 | F100-G135 WeakPolarHBondContact CZ-O 3.31Å; G131-G135 WeakPolarHBondContact O-CA 3.25Å; G131-G135 PolarHBondContact O-N 3.02Å; G135-A139 VanDerWaalsContact O-CB 3.28Å; G135-A139 WeakPolarHBondContact O-CB 3.04Å; G135-A139 PolarHBondContact O-N 3.38Å |
| 136 | H | 98.4 | Very high | 96 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 3% | 0.032 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 172.8 | 172.1 | 36.7 | 0 | 0 | 0 | 112.3 | L132 L133 G134 M138 A139 V140 Y152 D154 L156 F219 | L132-H136 VanDerWaalsContact O-CB 3.26Å; L132-H136 WeakPolarHBondContact O-CB 3.37Å; L132-H136 PolarHBondContact O-N 2.89Å; L133-H136 PolarHBondContact O-N 2.87Å; G134-H136 PolarHBondContact O-N 2.89Å; H136-M138 PolarHBondContact O-N 2.92Å; H136-A139 WeakPolarHBondContact O-CB 3.44Å; H136-A139 PolarHBondContact O-N 3.06Å; H136-A139 VanDerWaalsContact O-N 3.15Å; H136-V140 WeakPolarHBondContact CE1-CG2 3.38Å; H136-V140 WeakPolarHBondContact O-CG2 3.37Å; H136-V140 PolarHBondContact O-N 2.82Å; H136-Y152 AromaticContact ND1-CE1 3.6Å; H136-Y152 AromaticContact ND1-CZ 3.78Å; H136-Y152 PolarHBondContact ND1-OH 3.15Å; H136-Y152 VanDerWaalsContact ND1-OH 3.11Å; H136-D154 IonicContact CE1-OD1 2.79Å; H136-D154 PolarHBondContact CE1-OD1 3.12Å; H136-D154 IonicContact ND1-OD1 3.12Å; H136-L156 HydrophobicContact CB-CB 4.26Å; H136-F219 AromaticContact CD2-CD1 3.89Å; H136-F219 AromaticContact CD2-CG 3.94Å; H136-F219 AromaticContact NE2-CD1 3.59Å; H136-F219 AromaticContact NE2-CE1 3.98Å; H136-F219 AromaticContact NE2-CG 3.95Å |
| 137 | S | 96.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -47.1 | -180 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | L133 G134 A139 V140 M141 F219 P474 | L133-S137 WeakPolarHBondContact O-CB 3.4Å; L133-S137 PolarHBondContact O-N 2.93Å; L133-S137 PolarHBondContact O-OG 2.97Å; G134-S137 WeakPolarHBondContact O-CB 3.28Å; G134-S137 PolarHBondContact O-N 3.27Å; S137-A139 PolarHBondContact O-N 3.47Å; S137-V140 PolarHBondContact O-N 2.71Å; S137-M141 WeakPolarHBondContact O-CB 3.5Å; S137-M141 PolarHBondContact O-N 3Å; S137-F219 WeakPolarHBondContact OG-CZ 3.18Å; S137-P474 WeakPolarHBondContact OG-CD 3.24Å |
| 138 | M | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 174.8 | -66.9 | -64.7 | 106.5 | 0 | 0 | 112.7 | D89 V92 F100 G134 H136 M141 L142 F459 Y464 L472 | D89-M138 HydrophobicContact CB-CG 3.8Å; V92-M138 HydrophobicContact CB-CB 4.08Å; V92-M138 HydrophobicContact CB-CG 4.08Å; V92-M138 HydrophobicContact CB-SD 4.05Å; V92-M138 HydrophobicContact CG1-CB 4.17Å; V92-M138 HydrophobicContact CG1-CG 4.31Å; V92-M138 HydrophobicContact CG1-SD 3.8Å; V92-M138 HydrophobicContact CG2-CB 3.89Å; V92-M138 HydrophobicContact CG2-CG 4.35Å; F100-M138 HydrophobicContact CZ-CB 4.2Å; G134-M138 WeakPolarHBondContact O-CG 3.32Å; G134-M138 PolarHBondContact O-N 3.23Å; H136-M138 PolarHBondContact O-N 2.92Å; M138-M141 HydrophobicContact CE-SD 4.3Å; M138-M141 PolarHBondContact O-N 2.78Å; M138-M141 HydrophobicContact SD-CE 4.08Å; M138-M141 HydrophobicContact SD-SD 4.37Å; M138-L142 WeakPolarHBondContact O-CB 3.31Å; M138-L142 WeakPolarHBondContact O-CG 3.29Å; M138-L142 PolarHBondContact O-N 3.25Å; M138-F459 HydrophobicContact CE-CE1 4.4Å; M138-F459 HydrophobicContact CE-CE2 4.19Å; M138-F459 HydrophobicContact CE-CZ 4.02Å; M138-F459 HydrophobicContact SD-CD1 4.37Å; M138-F459 HydrophobicContact SD-CE1 3.65Å; M138-F459 HydrophobicContact SD-CE2 4.42Å; M138-F459 HydrophobicContact SD-CZ 3.68Å; M138-Y464 HydrophobicContact CE-CD1 4.05Å; M138-Y464 HydrophobicContact CE-CE1 3.34Å; M138-Y464 HydrophobicContact CE-CE2 4.27Å; M138-Y464 VanDerWaalsContact CE-CZ 3.48Å; M138-L472 HydrophobicContact CE-CB 4.08Å; M138-L472 HydrophobicContact CE-CD1 4.01Å; M138-L472 HydrophobicContact SD-CD1 4.22Å |
| 139 | A | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F100 G135 H136 S137 K143 M149 Y152 | F100-A139 HydrophobicContact CE1-CB 4.2Å; F100-A139 HydrophobicContact CZ-CB 4.05Å; G135-A139 VanDerWaalsContact O-CB 3.28Å; G135-A139 WeakPolarHBondContact O-CB 3.04Å; G135-A139 PolarHBondContact O-N 3.38Å; H136-A139 WeakPolarHBondContact O-CB 3.44Å; H136-A139 PolarHBondContact O-N 3.06Å; H136-A139 VanDerWaalsContact O-N 3.15Å; S137-A139 PolarHBondContact O-N 3.47Å; A139-K143 VanDerWaalsContact O-CB 3.22Å; A139-K143 WeakPolarHBondContact O-CB 3.37Å; A139-K143 PolarHBondContact O-N 2.88Å; A139-M149 HydrophobicContact CB-CE 3.66Å; A139-M149 HydrophobicContact CB-CG 4.48Å; A139-Y152 HydrophobicContact CB-CD1 3.87Å; A139-Y152 HydrophobicContact CB-CD2 4.18Å; A139-Y152 HydrophobicContact CB-CE1 3.77Å; A139-Y152 HydrophobicContact CB-CE2 4.09Å; A139-Y152 HydrophobicContact CB-CG 4.1Å |
| 140 | V | 95.7 | Very high | 94.2 | Very high | 43 Ų | 43 | 35 Ų | 35 | 26% | 0.261 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.7 | -47.8 | 174.5 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | H136 S137 L142 K143 D144 Y152 | H136-V140 WeakPolarHBondContact CE1-CG2 3.38Å; H136-V140 WeakPolarHBondContact O-CG2 3.37Å; H136-V140 PolarHBondContact O-N 2.82Å; S137-V140 PolarHBondContact O-N 2.71Å; V140-L142 PolarHBondContact O-N 3.35Å; V140-K143 WeakPolarHBondContact O-CB 3.28Å; V140-K143 PolarHBondContact O-N 2.77Å; V140-K143 VanDerWaalsContact O-N 3.08Å; V140-D144 PolarHBondContact O-N 2.76Å; V140-Y152 HydrophobicContact CG2-CE1 4.43Å |
| 141 | M | 94.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 21% | 0.212 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.4 | -45.8 | 177.2 | -177.9 | -154.8 | 70.2 | 0 | 0 | 112.4 | V92 S137 M138 K143 D144 G145 F459 Y464 | V92-M141 HydrophobicContact CG1-CE 3.79Å; S137-M141 WeakPolarHBondContact O-CB 3.5Å; S137-M141 PolarHBondContact O-N 3Å; M138-M141 HydrophobicContact CE-SD 4.3Å; M138-M141 PolarHBondContact O-N 2.78Å; M138-M141 HydrophobicContact SD-CE 4.08Å; M138-M141 HydrophobicContact SD-SD 4.37Å; M141-K143 VanDerWaalsContact C-N 3.31Å; M141-K143 PolarHBondContact O-N 3.32Å; M141-D144 PolarHBondContact O-N 2.95Å; M141-G145 PolarHBondContact O-N 3.2Å; M141-F459 HydrophobicContact CE-CB 4.39Å; M141-F459 HydrophobicContact CE-CD1 3.65Å; M141-F459 HydrophobicContact CE-CE1 4.26Å; M141-F459 HydrophobicContact CE-CG 4.23Å; M141-F459 HydrophobicContact SD-CB 3.5Å; M141-F459 WeakPolarHBondContact SD-CB 3.3Å; M141-F459 HydrophobicContact SD-CD1 3.61Å; M141-F459 HydrophobicContact SD-CD2 4.3Å; M141-F459 HydrophobicContact SD-CE1 4.42Å; M141-F459 HydrophobicContact SD-CG 3.55Å; M141-F459 VanDerWaalsContact SD-CG 3.55Å; M141-Y464 PolarHBondContact SD-OH 2.95Å; M141-Y464 VanDerWaalsContact SD-OH 3.41Å |
| 142 | L | 94.7 | Very high | 94 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.3 | -30.6 | 177.2 | -74.9 | 176.7 | 0 | 0 | 0 | 113.3 | V92 T97 F100 M138 V140 G146 N148 M149 | V92-L142 HydrophobicContact CG1-CD1 3.89Å; V92-L142 HydrophobicContact CG1-CD2 4.25Å; V92-L142 HydrophobicContact CG1-CG 4.1Å; V92-L142 HydrophobicContact CG2-CD1 3.84Å; T97-L142 HydrophobicContact CG2-CD1 4.17Å; T97-L142 HydrophobicContact CG2-CD2 3.8Å; F100-L142 HydrophobicContact CD1-CD1 3.66Å; F100-L142 HydrophobicContact CE1-CD1 3.77Å; M138-L142 WeakPolarHBondContact O-CB 3.31Å; M138-L142 WeakPolarHBondContact O-CG 3.29Å; M138-L142 PolarHBondContact O-N 3.25Å; V140-L142 PolarHBondContact O-N 3.35Å; L142-G146 PolarHBondContact O-N 3.04Å; L142-N148 HydrophobicContact CB-CB 4.17Å; L142-N148 HydrophobicContact CD1-CB 4.48Å; L142-M149 HydrophobicContact CB-CB 4.28Å; L142-M149 HydrophobicContact CB-CG 3.87Å; L142-M149 HydrophobicContact CD1-CG 4.09Å |
| 143 | K | 94.8 | Very high | 93.8 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 27% | 0.265 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.6 | -45 | 176.6 | 175.6 | 179.4 | 167.9 | -174.8 | 0 | 111.3 | A139 V140 M141 G145 G146 M149 Q150 Y152 | A139-K143 VanDerWaalsContact O-CB 3.22Å; A139-K143 WeakPolarHBondContact O-CB 3.37Å; A139-K143 PolarHBondContact O-N 2.88Å; V140-K143 WeakPolarHBondContact O-CB 3.28Å; V140-K143 PolarHBondContact O-N 2.77Å; V140-K143 VanDerWaalsContact O-N 3.08Å; M141-K143 VanDerWaalsContact C-N 3.31Å; M141-K143 PolarHBondContact O-N 3.32Å; K143-G145 VanDerWaalsContact C-N 3.33Å; K143-G146 WeakPolarHBondContact O-CA 3.5Å; K143-G146 PolarHBondContact O-N 2.75Å; K143-M149 HydrophobicContact CB-CB 4.22Å; K143-Q150 PolarHBondContact O-NE2 3.03Å; K143-Y152 WeakPolarHBondContact CE-O 3.45Å; K143-Y152 PolarHBondContact NZ-O 3.42Å |
| 144 | D | 91.8 | Very high | 93.8 | Very high | 131 Ų | 131 | 47.4 Ų | 47.4 | 70% | 0.701 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.9 | -30.6 | 176.4 | -71.6 | -11.9 | 0 | 0 | 0 | 112.1 | V140 M141 G146 | V140-D144 PolarHBondContact O-N 2.76Å; M141-D144 PolarHBondContact O-N 2.95Å; D144-G146 PolarHBondContact O-N 2.84Å |
| 145 | G | 88.3 | Confident | 93.8 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 55% | 0.546 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M141 K143 Q147 | M141-G145 PolarHBondContact O-N 3.2Å; K143-G145 VanDerWaalsContact C-N 3.33Å; G145-Q147 VanDerWaalsContact C-N 3.32Å; G145-Q147 PolarHBondContact O-N 2.9Å |
| 146 | G | 82.8 | Confident | 93.8 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 51% | 0.505 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 7.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | L142 K143 D144 | L142-G146 PolarHBondContact O-N 3.04Å; K143-G146 WeakPolarHBondContact O-CA 3.5Å; K143-G146 PolarHBondContact O-N 2.75Å; D144-G146 PolarHBondContact O-N 2.84Å |
| 147 | Q | 76.3 | Confident | 93.8 | Very high | 173 Ų | 173 | 50.2 Ų | 50.2 | 81% | 0.808 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -112.1 | -34 | -174.8 | -63.6 | -171.6 | 19.3 | 0 | 0 | 114.3 | G145 | G145-Q147 VanDerWaalsContact C-N 3.32Å; G145-Q147 PolarHBondContact O-N 2.9Å |
| 148 | N | 90.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 55.9 Ų | 55.9 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -127.3 | 175.8 | -178.8 | -77.9 | 98.3 | 0 | 0 | 0 | 110.4 | T97 L142 Q150 | T97-N148 PolarHBondContact OG1-OD1 2.79Å; L142-N148 HydrophobicContact CB-CB 4.17Å; L142-N148 HydrophobicContact CD1-CB 4.48Å; N148-Q150 PolarHBondContact O-N 2.66Å; N148-Q150 PolarHBondContact O-NE2 2.74Å |
| 149 | M | 95 | Very high | 94 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | 55.5 | 16.7 | 170 | -57.7 | -57.6 | -73.9 | 0 | 0 | 116.3 | F100 E101 V104 A139 L142 K143 W151 Y152 | F100-M149 HydrophobicContact CD1-CE 4.47Å; F100-M149 HydrophobicContact CD1-CG 4.35Å; F100-M149 HydrophobicContact CD1-SD 3.9Å; F100-M149 HydrophobicContact CE1-CE 3.76Å; F100-M149 HydrophobicContact CE1-CG 3.93Å; F100-M149 HydrophobicContact CE1-SD 3.69Å; F100-M149 HydrophobicContact CZ-CE 4.37Å; E101-M149 HydrophobicContact CB-SD 3.94Å; E101-M149 HydrophobicContact CG-SD 3.66Å; E101-M149 PolarHBondContact OE2-N 3.37Å; V104-M149 HydrophobicContact CB-CE 4.29Å; V104-M149 HydrophobicContact CG1-CE 4.15Å; V104-M149 HydrophobicContact CG2-CE 4.13Å; A139-M149 HydrophobicContact CB-CE 3.66Å; A139-M149 HydrophobicContact CB-CG 4.48Å; L142-M149 HydrophobicContact CB-CB 4.28Å; L142-M149 HydrophobicContact CB-CG 3.87Å; L142-M149 HydrophobicContact CD1-CG 4.09Å; K143-M149 HydrophobicContact CB-CB 4.22Å; M149-W151 HydrophobicContact CE-CH2 4.42Å; M149-W151 HydrophobicContact CE-CZ2 4.04Å; M149-W151 PolarHBondContact O-N 2.96Å; M149-W151 HydrophobicContact SD-CZ2 4.31Å; M149-Y152 HydrophobicContact CE-CD2 3.85Å; M149-Y152 HydrophobicContact CE-CG 4.12Å; M149-Y152 WeakPolarHBondContact O-CB 3.34Å; M149-Y152 PolarHBondContact O-N 3.03Å | ||
| 150 | Q | 94.4 | Very high | 94 | Very high | 116 Ų | 116 | 57.3 Ų | 57.3 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.8 | -173.6 | -62.4 | -60.3 | -67.8 | 0 | 0 | 114.7 | K143 N148 | K143-Q150 PolarHBondContact O-NE2 3.03Å; N148-Q150 PolarHBondContact O-N 2.66Å; N148-Q150 PolarHBondContact O-NE2 2.74Å |
| 151 | W | 95.7 | Very high | 94.2 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 26% | 0.258 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -18.9 | 176.3 | 56.7 | -91.1 | 0 | 0 | 0 | 113.6 | E101 V104 R105 L108 M149 Q153 | E101-W151 VanDerWaalsContact CD-NE1 3.31Å; E101-W151 HydrophobicContact CG-CZ2 3.9Å; E101-W151 PolarHBondContact OE1-NE1 2.79Å; E101-W151 VanDerWaalsContact OE1-NE1 3.13Å; V104-W151 HydrophobicContact CG1-CH2 3.96Å; R105-W151 HydrophobicContact CG-CH2 3.91Å; R105-W151 HydrophobicContact CG-CZ2 3.91Å; R105-W151 VanDerWaalsContact NH2-CD1 3.34Å; L108-W151 HydrophobicContact CD1-CH2 4.15Å; L108-W151 HydrophobicContact CD1-CZ3 4.01Å; M149-W151 HydrophobicContact CE-CH2 4.42Å; M149-W151 HydrophobicContact CE-CZ2 4.04Å; M149-W151 PolarHBondContact O-N 2.96Å; M149-W151 HydrophobicContact SD-CZ2 4.31Å; W151-Q153 PolarHBondContact O-NE2 2.84Å |
| 152 | Y | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | trans | -66.1 | 130.1 | -169.9 | -177.9 | -99.6 | 0 | 0 | 0 | 111.8 | H136 A139 V140 K143 M149 D154 E155 L156 | H136-Y152 AromaticContact ND1-CE1 3.6Å; H136-Y152 AromaticContact ND1-CZ 3.78Å; H136-Y152 PolarHBondContact ND1-OH 3.15Å; H136-Y152 VanDerWaalsContact ND1-OH 3.11Å; A139-Y152 HydrophobicContact CB-CD1 3.87Å; A139-Y152 HydrophobicContact CB-CD2 4.18Å; A139-Y152 HydrophobicContact CB-CE1 3.77Å; A139-Y152 HydrophobicContact CB-CE2 4.09Å; A139-Y152 HydrophobicContact CB-CG 4.1Å; V140-Y152 HydrophobicContact CG2-CE1 4.43Å; K143-Y152 WeakPolarHBondContact CE-O 3.45Å; K143-Y152 PolarHBondContact NZ-O 3.42Å; M149-Y152 HydrophobicContact CE-CD2 3.85Å; M149-Y152 HydrophobicContact CE-CG 4.12Å; M149-Y152 WeakPolarHBondContact O-CB 3.34Å; M149-Y152 PolarHBondContact O-N 3.03Å; Y152-D154 VanDerWaalsContact CE1-CA 3.47Å; Y152-D154 HydrophobicContact CE1-CB 4.42Å; Y152-D154 WeakPolarHBondContact CE1-OD1 3.28Å; Y152-D154 VanDerWaalsContact CZ-CA 3.49Å; Y152-D154 WeakPolarHBondContact OH-CA 3.15Å; Y152-E155 WeakPolarHBondContact CD2-OE2 3.12Å; Y152-E155 VanDerWaalsContact CE2-OE2 3.32Å; Y152-E155 WeakPolarHBondContact CE2-OE2 3.45Å; Y152-L156 HydrophobicContact CE2-CB 4.41Å; Y152-L156 HydrophobicContact CE2-CD1 4.29Å; Y152-L156 HydrophobicContact CE2-CG 4.06Å; Y152-L156 WeakPolarHBondContact OH-CB 3.2Å; Y152-L156 PolarHBondContact OH-N 3.12Å | ||
| 153 | Q | 95.4 | Very high | 94.5 | Very high | 138 Ų | 138 | 57.7 Ų | 57.7 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | trans | -131.1 | 48.9 | -176.9 | -75.5 | 161.4 | 87.2 | 0 | 0 | 110 | W151 E155 | W151-Q153 PolarHBondContact O-NE2 2.84Å; Q153-E155 VanDerWaalsContact C-OE2 3.3Å; Q153-E155 VanDerWaalsContact N-CD 3.31Å; Q153-E155 PolarHBondContact N-OE1 3.19Å; Q153-E155 PolarHBondContact N-OE2 3.33Å; Q153-E155 PolarHBondContact O-N 3.22Å | ||
| 154 | D | 97.6 | Very high | 94.7 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 64.1 | 28.1 | 169.5 | -47.6 | -49.9 | 0 | 0 | 0 | 113.2 | H136 Y152 L156 L157 H158 | H136-D154 IonicContact CE1-OD1 2.79Å; H136-D154 PolarHBondContact CE1-OD1 3.12Å; H136-D154 IonicContact ND1-OD1 3.12Å; Y152-D154 VanDerWaalsContact CE1-CA 3.47Å; Y152-D154 HydrophobicContact CE1-CB 4.42Å; Y152-D154 WeakPolarHBondContact CE1-OD1 3.28Å; Y152-D154 VanDerWaalsContact CZ-CA 3.49Å; Y152-D154 WeakPolarHBondContact OH-CA 3.15Å; D154-L156 PolarHBondContact O-N 2.75Å; D154-L157 HydrophobicContact CB-CB 4.22Å; D154-L157 HydrophobicContact CB-CD2 4.49Å; D154-L157 WeakPolarHBondContact O-CA 3.41Å; D154-L157 WeakPolarHBondContact O-CB 3.22Å; D154-L157 PolarHBondContact O-N 3.44Å; D154-H158 PolarHBondContact O-N 2.65Å; D154-H158 PolarHBondContact O-ND1 2.96Å |
| 155 | E | 97.9 | Very high | 95 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | -175.5 | -58.2 | 92.9 | 154.2 | 0 | 0 | 112.9 | L108 Y152 Q153 L157 H158 M159 | L108-E155 HydrophobicContact CD1-CB 3.71Å; L108-E155 HydrophobicContact CD1-CG 4.09Å; L108-E155 HydrophobicContact CD2-CB 3.47Å; L108-E155 VanDerWaalsContact CD2-CB 3.47Å; L108-E155 HydrophobicContact CG-CB 4.25Å; Y152-E155 WeakPolarHBondContact CD2-OE2 3.12Å; Y152-E155 VanDerWaalsContact CE2-OE2 3.32Å; Y152-E155 WeakPolarHBondContact CE2-OE2 3.45Å; Q153-E155 VanDerWaalsContact C-OE2 3.3Å; Q153-E155 VanDerWaalsContact N-CD 3.31Å; Q153-E155 PolarHBondContact N-OE1 3.19Å; Q153-E155 PolarHBondContact N-OE2 3.33Å; Q153-E155 PolarHBondContact O-N 3.22Å; E155-L157 VanDerWaalsContact C-N 3.32Å; E155-H158 PolarHBondContact O-N 3.13Å; E155-M159 PolarHBondContact O-N 3.04Å; E155-M159 VanDerWaalsContact O-N 3.13Å |
| 156 | L | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -32.1 | 173.1 | -61.1 | 171.7 | 0 | 0 | 0 | 111.7 | L88 V104 V107 L108 L132 H136 Y152 D154 M159 A160 | L88-L156 HydrophobicContact CD1-CD1 4.27Å; L88-L156 HydrophobicContact CD1-CD2 4.4Å; V104-L156 HydrophobicContact CG1-CD1 4.02Å; V104-L156 HydrophobicContact CG1-CD2 4.16Å; V104-L156 HydrophobicContact CG1-CG 4.06Å; V104-L156 HydrophobicContact CG2-CD1 4.04Å; V107-L156 HydrophobicContact CB-CD2 4.47Å; V107-L156 HydrophobicContact CG1-CD2 3.86Å; L108-L156 HydrophobicContact CD2-CD2 4.41Å; L132-L156 HydrophobicContact CD2-CB 4.44Å; L132-L156 HydrophobicContact CD2-CD2 3.77Å; H136-L156 HydrophobicContact CB-CB 4.26Å; Y152-L156 HydrophobicContact CE2-CB 4.41Å; Y152-L156 HydrophobicContact CE2-CD1 4.29Å; Y152-L156 HydrophobicContact CE2-CG 4.06Å; Y152-L156 WeakPolarHBondContact OH-CB 3.2Å; Y152-L156 PolarHBondContact OH-N 3.12Å; D154-L156 PolarHBondContact O-N 2.75Å; L156-M159 PolarHBondContact O-N 3.29Å; L156-A160 WeakPolarHBondContact O-CB 2.94Å; L156-A160 PolarHBondContact O-N 3.49Å |
| 157 | L | 98.6 | Very high | 96.1 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.5 | -37.5 | 174.9 | -178 | 64.1 | 0 | 0 | 0 | 111.3 | L133 D154 E155 M159 A160 K161 L216 F219 T220 | L133-L157 HydrophobicContact CD2-CD1 4.14Å; D154-L157 HydrophobicContact CB-CB 4.22Å; D154-L157 HydrophobicContact CB-CD2 4.49Å; D154-L157 WeakPolarHBondContact O-CA 3.41Å; D154-L157 WeakPolarHBondContact O-CB 3.22Å; D154-L157 PolarHBondContact O-N 3.44Å; E155-L157 VanDerWaalsContact C-N 3.32Å; L157-M159 VanDerWaalsContact C-N 3.35Å; L157-A160 PolarHBondContact O-N 3.35Å; L157-K161 WeakPolarHBondContact O-CB 3.42Å; L157-K161 PolarHBondContact O-N 3.22Å; L157-L216 HydrophobicContact CD1-CD1 4.1Å; L157-F219 HydrophobicContact CD1-CB 3.48Å; L157-F219 VanDerWaalsContact CD1-CB 3.48Å; L157-F219 HydrophobicContact CD1-CG 4.25Å; L157-F219 HydrophobicContact CD2-CB 3.88Å; L157-F219 HydrophobicContact CG-CB 4.34Å; L157-T220 HydrophobicContact CD1-CG2 3.73Å; L157-T220 HydrophobicContact CD2-CG2 4.24Å; L157-T220 HydrophobicContact CG-CG2 3.97Å |
| 158 | H | 98.3 | Very high | 97.1 | Very high | 125 Ų | 125 | 43.4 Ų | 43.4 | 58% | 0.579 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63 | -40.9 | 173.2 | -65.9 | 110.6 | 0 | 0 | 0 | 111.6 | D154 E155 K161 D162 | D154-H158 PolarHBondContact O-N 2.65Å; D154-H158 PolarHBondContact O-ND1 2.96Å; E155-H158 PolarHBondContact O-N 3.13Å; H158-K161 PolarHBondContact O-N 3.36Å; H158-D162 PolarHBondContact O-N 2.91Å |
| 159 | M | 98.4 | Very high | 97.4 | Very high | 31 Ų | 31 | 44.2 Ų | 44.2 | 15% | 0.153 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -42.9 | 172.5 | -68.9 | -179.1 | 70.3 | 0 | 0 | 112.6 | V107 L108 V111 L113 L132 E155 L156 L157 K161 D162 L163 | V107-M159 HydrophobicContact CG1-CE 3.94Å; V107-M159 HydrophobicContact CG1-SD 4.04Å; L108-M159 HydrophobicContact CD2-SD 3.69Å; V111-M159 HydrophobicContact CB-CE 3.96Å; V111-M159 HydrophobicContact CG1-CE 3.71Å; L113-M159 HydrophobicContact CD1-CB 4.21Å; L113-M159 HydrophobicContact CD1-CE 4.23Å; L132-M159 HydrophobicContact CD1-CB 4.11Å; L132-M159 HydrophobicContact CD2-CB 4.39Å; E155-M159 PolarHBondContact O-N 3.04Å; E155-M159 VanDerWaalsContact O-N 3.13Å; L156-M159 PolarHBondContact O-N 3.29Å; L157-M159 VanDerWaalsContact C-N 3.35Å; M159-K161 VanDerWaalsContact C-N 3.27Å; M159-K161 PolarHBondContact O-N 3.18Å; M159-D162 PolarHBondContact O-N 3.43Å; M159-L163 PolarHBondContact O-N 3.47Å |
| 160 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L129 L132 L133 L156 L157 G164 L216 | L129-A160 HydrophobicContact CD1-CB 3.62Å; L129-A160 VanDerWaalsContact CD1-O 3.29Å; L129-A160 WeakPolarHBondContact CD1-O 3.33Å; L132-A160 HydrophobicContact CB-CB 4.06Å; L133-A160 HydrophobicContact CD2-CB 4.01Å; L133-A160 HydrophobicContact CG-CB 4.29Å; L156-A160 WeakPolarHBondContact O-CB 2.94Å; L156-A160 PolarHBondContact O-N 3.49Å; L157-A160 PolarHBondContact O-N 3.35Å; A160-G164 PolarHBondContact O-N 3.37Å; A160-L216 HydrophobicContact CB-CD1 3.94Å |
| 161 | K | 98.6 | Very high | 97.7 | Very high | 54 Ų | 54 | 39 Ų | 39 | 24% | 0.235 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.7 | -42.7 | 175.5 | -170.1 | 166.8 | -172.8 | 148.6 | 0 | 112.7 | L157 H158 M159 L163 G164 L165 L216 T220 D222 F225 | L157-K161 WeakPolarHBondContact O-CB 3.42Å; L157-K161 PolarHBondContact O-N 3.22Å; H158-K161 PolarHBondContact O-N 3.36Å; M159-K161 VanDerWaalsContact C-N 3.27Å; M159-K161 PolarHBondContact O-N 3.18Å; K161-L163 VanDerWaalsContact C-N 3.34Å; K161-G164 PolarHBondContact O-N 3.16Å; K161-L165 HydrophobicContact CG-CD1 4.23Å; K161-L165 HydrophobicContact CG-CG 4.47Å; K161-L165 WeakPolarHBondContact O-CB 3.36Å; K161-L165 VanDerWaalsContact O-CG 3.24Å; K161-L165 WeakPolarHBondContact O-CG 3.49Å; K161-L165 PolarHBondContact O-N 2.95Å; K161-L216 HydrophobicContact CB-CD1 4.28Å; K161-T220 HydrophobicContact CB-CG2 4.17Å; K161-T220 HydrophobicContact CD-CG2 3.9Å; K161-T220 HydrophobicContact CG-CG2 4.33Å; K161-D222 WeakPolarHBondContact CE-OD2 3.39Å; K161-D222 VanDerWaalsContact NZ-CB 3.31Å; K161-D222 IonicContact NZ-OD2 3.26Å; K161-D222 PolarHBondContact NZ-OD2 3.39Å; K161-F225 HydrophobicContact CG-CE2 4.45Å; K161-F225 HydrophobicContact CG-CZ 4.14Å |
| 162 | D | 98.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 39.7 Ų | 39.7 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.6 | -174.7 | 64.1 | 0 | 0 | 0 | 111.2 | H158 M159 L165 R166 | H158-D162 PolarHBondContact O-N 2.91Å; M159-D162 PolarHBondContact O-N 3.43Å; D162-L165 PolarHBondContact O-N 3.49Å; D162-R166 WeakPolarHBondContact O-CG 3.33Å; D162-R166 PolarHBondContact O-N 3.15Å; D162-R166 IonicContact OD1-CZ 3.4Å; D162-R166 IonicContact OD1-NE 2.94Å; D162-R166 IonicContact OD1-NH2 3.88Å; D162-R166 PolarHBondContact OD1-NH2 3Å; D162-R166 IonicContact OD2-CZ 3.09Å; D162-R166 IonicContact OD2-NE 3.17Å; D162-R166 PolarHBondContact OD2-NE 3.49Å; D162-R166 IonicContact OD2-NH2 3.76Å; D162-R166 PolarHBondContact OD2-NH2 3.22Å |
| 163 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 175 | -173.3 | 56.6 | 0 | 0 | 0 | 112.5 | L113 T124 V128 L129 L132 M159 K161 L165 R166 L167 L184 | L113-L163 HydrophobicContact CD1-CB 4.19Å; L113-L163 HydrophobicContact CD2-CD1 4.47Å; T124-L163 HydrophobicContact CG2-CD1 3.77Å; T124-L163 HydrophobicContact CG2-CD2 4.12Å; T124-L163 HydrophobicContact CG2-CG 4.33Å; V128-L163 HydrophobicContact CB-CD2 3.79Å; V128-L163 HydrophobicContact CG1-CD2 3.59Å; L129-L163 HydrophobicContact CB-CD2 4.04Å; L132-L163 HydrophobicContact CD1-CD2 4.37Å; M159-L163 PolarHBondContact O-N 3.47Å; K161-L163 VanDerWaalsContact C-N 3.34Å; L163-L165 VanDerWaalsContact C-N 3.28Å; L163-L165 PolarHBondContact O-N 3.07Å; L163-R166 WeakPolarHBondContact O-CA 3.34Å; L163-R166 WeakPolarHBondContact O-CB 3.41Å; L163-R166 PolarHBondContact O-N 3.08Å; L163-L167 HydrophobicContact CD1-CG 4.49Å; L163-L167 HydrophobicContact CG-CD1 4.44Å; L163-L167 WeakPolarHBondContact O-CG 3.39Å; L163-L167 PolarHBondContact O-N 2.86Å; L163-L184 HydrophobicContact CD1-CD2 4.05Å |
| 164 | G | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.3 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A160 K161 R166 L167 L168 | A160-G164 PolarHBondContact O-N 3.37Å; K161-G164 PolarHBondContact O-N 3.16Å; G164-R166 VanDerWaalsContact C-N 3.31Å; G164-R166 PolarHBondContact O-N 3.45Å; G164-L167 PolarHBondContact O-N 3.5Å; G164-L167 VanDerWaalsContact O-N 3.16Å; G164-L168 WeakPolarHBondContact O-CG 3.33Å; G164-L168 PolarHBondContact O-N 2.83Å |
| 165 | L | 98.1 | Very high | 97.4 | Very high | 85 Ų | 85 | 36.9 Ų | 36.9 | 45% | 0.445 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64 | -32.9 | 175.9 | -70.4 | 171.6 | 0 | 0 | 0 | 112.8 | K161 D162 L163 L168 P169 F225 | K161-L165 HydrophobicContact CG-CD1 4.23Å; K161-L165 HydrophobicContact CG-CG 4.47Å; K161-L165 WeakPolarHBondContact O-CB 3.36Å; K161-L165 VanDerWaalsContact O-CG 3.24Å; K161-L165 WeakPolarHBondContact O-CG 3.49Å; K161-L165 PolarHBondContact O-N 2.95Å; D162-L165 PolarHBondContact O-N 3.49Å; L163-L165 VanDerWaalsContact C-N 3.28Å; L163-L165 PolarHBondContact O-N 3.07Å; L165-L168 HydrophobicContact CD2-CD1 4.03Å; L165-P169 WeakPolarHBondContact O-CD 3.47Å; L165-F225 HydrophobicContact CD2-CE1 4.1Å; L165-F225 HydrophobicContact CD2-CZ 3.97Å; L165-F225 HydrophobicContact CG-CE1 4.26Å; L165-F225 HydrophobicContact CG-CZ 4.09Å |
| 166 | R | 97.3 | Very high | 97.3 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.1 | -29.3 | 172.8 | -67.3 | 166.1 | -167.6 | -75.4 | -7.4 | 113.4 | L113 D162 L163 G164 P169 I182 L184 | L113-R166 WeakPolarHBondContact O-CD 3.22Å; L113-R166 PolarHBondContact O-NE 3.03Å; L113-R166 PolarHBondContact O-NH1 3.36Å; D162-R166 WeakPolarHBondContact O-CG 3.33Å; D162-R166 PolarHBondContact O-N 3.15Å; D162-R166 IonicContact OD1-CZ 3.4Å; D162-R166 IonicContact OD1-NE 2.94Å; D162-R166 IonicContact OD1-NH2 3.88Å; D162-R166 PolarHBondContact OD1-NH2 3Å; D162-R166 IonicContact OD2-CZ 3.09Å; D162-R166 IonicContact OD2-NE 3.17Å; D162-R166 PolarHBondContact OD2-NE 3.49Å; D162-R166 IonicContact OD2-NH2 3.76Å; D162-R166 PolarHBondContact OD2-NH2 3.22Å; L163-R166 WeakPolarHBondContact O-CA 3.34Å; L163-R166 WeakPolarHBondContact O-CB 3.41Å; L163-R166 PolarHBondContact O-N 3.08Å; G164-R166 VanDerWaalsContact C-N 3.31Å; G164-R166 PolarHBondContact O-N 3.45Å; R166-P169 WeakPolarHBondContact O-CD 3.32Å; R166-I182 WeakPolarHBondContact O-CD1 3.45Å; R166-L184 WeakPolarHBondContact CD-O 3.44Å; R166-L184 PolarHBondContact NH1-O 2.89Å |
| 167 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -81.7 | -30.2 | 177.7 | -64.5 | -177.5 | 0 | 0 | 0 | 113.1 | T124 N125 L163 G164 P169 A170 I182 F213 | T124-L167 HydrophobicContact CG2-CD1 4.38Å; T124-L167 HydrophobicContact CG2-CD2 4.12Å; N125-L167 HydrophobicContact CB-CD1 4.41Å; L163-L167 HydrophobicContact CD1-CG 4.49Å; L163-L167 HydrophobicContact CG-CD1 4.44Å; L163-L167 WeakPolarHBondContact O-CG 3.39Å; L163-L167 PolarHBondContact O-N 2.86Å; G164-L167 PolarHBondContact O-N 3.5Å; G164-L167 VanDerWaalsContact O-N 3.16Å; L167-P169 VanDerWaalsContact C-N 3.35Å; L167-A170 VanDerWaalsContact O-CB 3.23Å; L167-A170 WeakPolarHBondContact O-CB 3.31Å; L167-A170 PolarHBondContact O-N 3.3Å; L167-I182 HydrophobicContact CD2-CG2 3.85Å; L167-F213 HydrophobicContact CB-CZ 4.01Å; L167-F213 HydrophobicContact CD1-CE1 4.26Å; L167-F213 HydrophobicContact CD1-CZ 4.38Å |
| 168 | L | 97.2 | Very high | 97.2 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 14% | 0.141 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -48.9 | -40.3 | 179.8 | -78.5 | 179.6 | 0 | 0 | 0 | 115.5 | G164 L165 A170 F171 F213 V224 F225 H228 | G164-L168 WeakPolarHBondContact O-CG 3.33Å; G164-L168 PolarHBondContact O-N 2.83Å; L165-L168 HydrophobicContact CD2-CD1 4.03Å; L168-A170 PolarHBondContact O-N 3.45Å; L168-A170 VanDerWaalsContact O-N 3.13Å; L168-F171 PolarHBondContact O-N 2.95Å; L168-F171 VanDerWaalsContact O-N 3.1Å; L168-F213 HydrophobicContact CD2-CE2 4.28Å; L168-V224 HydrophobicContact CD1-CG1 4.02Å; L168-V224 HydrophobicContact CD1-CG2 3.97Å; L168-F225 HydrophobicContact CD1-CD1 4.07Å; L168-F225 HydrophobicContact CD1-CE1 3.78Å; L168-F225 HydrophobicContact CD2-CD1 4.01Å; L168-F225 HydrophobicContact CG-CD1 4Å; L168-F225 HydrophobicContact CG-CE1 4.04Å; L168-H228 HydrophobicContact CD2-CB 4.14Å |
| 169 | P | 96.6 | Very high | 97.2 | Very high | 47 Ų | 47 | 29.5 Ų | 29.5 | 31% | 0.305 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -57 | -24.7 | 176 | -26.3 | 35 | 0 | 0 | 0 | 114.7 | L165 R166 L167 F171 N172 I182 V188 | L165-P169 WeakPolarHBondContact O-CD 3.47Å; R166-P169 WeakPolarHBondContact O-CD 3.32Å; L167-P169 VanDerWaalsContact C-N 3.35Å; P169-F171 PolarHBondContact O-N 2.95Å; P169-N172 WeakPolarHBondContact O-CB 3.28Å; P169-N172 PolarHBondContact O-N 3.26Å; P169-N172 VanDerWaalsContact O-N 3.16Å; P169-I182 HydrophobicContact CB-CD1 4.05Å; P169-I182 HydrophobicContact CG-CD1 4.48Å; P169-V188 HydrophobicContact CB-CG2 4.26Å; P169-V188 VanDerWaalsContact O-CG2 3.26Å; P169-V188 WeakPolarHBondContact O-CG2 3.39Å |
| 170 | A | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -61.7 | -31.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V121 L167 L168 N172 P178 Y179 I182 | V121-A170 HydrophobicContact CG1-CB 4.12Å; V121-A170 HydrophobicContact CG2-CB 3.71Å; L167-A170 VanDerWaalsContact O-CB 3.23Å; L167-A170 WeakPolarHBondContact O-CB 3.31Å; L167-A170 PolarHBondContact O-N 3.3Å; L168-A170 PolarHBondContact O-N 3.45Å; L168-A170 VanDerWaalsContact O-N 3.13Å; A170-N172 PolarHBondContact O-N 2.84Å; A170-P178 HydrophobicContact CB-CB 4.07Å; A170-P178 CarbonylContact O-C 3.56Å; A170-P178 VanDerWaalsContact O-CA 3.3Å; A170-P178 WeakPolarHBondContact O-CA 3.3Å; A170-Y179 WeakPolarHBondContact O-CD2 3.41Å; A170-Y179 PolarHBondContact O-N 2.95Å; A170-I182 HydrophobicContact CB-CD1 4.02Å |
| 171 | F | 97.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -77.3 | 2.6 | 179.8 | -64.1 | -102.1 | 0 | 0 | 0 | 113.3 | L168 P169 T173 G176 P178 M209 F213 H228 A232 | L168-F171 PolarHBondContact O-N 2.95Å; L168-F171 VanDerWaalsContact O-N 3.1Å; P169-F171 PolarHBondContact O-N 2.95Å; F171-T173 PolarHBondContact O-N 3.35Å; F171-G176 WeakPolarHBondContact CD1-O 3.39Å; F171-P178 HydrophobicContact CD1-CB 4.27Å; F171-P178 HydrophobicContact CD1-CG 4.5Å; F171-P178 HydrophobicContact CD2-CB 4.32Å; F171-P178 HydrophobicContact CE1-CB 4.23Å; F171-P178 HydrophobicContact CE1-CG 4.14Å; F171-P178 HydrophobicContact CE2-CB 4.26Å; F171-P178 HydrophobicContact CG-CB 4.32Å; F171-P178 HydrophobicContact CZ-CB 4.23Å; F171-P178 HydrophobicContact CZ-CG 4.31Å; F171-M209 HydrophobicContact CE2-CE 4.02Å; F171-M209 HydrophobicContact CZ-CB 4.28Å; F171-M209 HydrophobicContact CZ-CE 3.75Å; F171-M209 HydrophobicContact CZ-CG 4.07Å; F171-F213 HydrophobicContact CD2-CE2 4.36Å; F171-F213 HydrophobicContact CE2-CD2 4.42Å; F171-F213 AromaticContact CE2-CE2 3.43Å; F171-F213 HydrophobicContact CE2-CE2 3.43Å; F171-F213 VanDerWaalsContact CE2-CE2 3.43Å; F171-F213 AromaticContact CE2-CZ 3.79Å; F171-F213 HydrophobicContact CE2-CZ 3.79Å; F171-F213 HydrophobicContact CZ-CD2 4.24Å; F171-F213 AromaticContact CZ-CE2 3.64Å; F171-F213 HydrophobicContact CZ-CE2 3.64Å; F171-F213 HydrophobicContact CZ-CZ 4.15Å; F171-H228 HydrophobicContact CB-CB 4.42Å; F171-H228 HydrophobicContact CD1-CB 3.95Å; F171-H228 HydrophobicContact CD2-CB 4.47Å; F171-H228 HydrophobicContact CE1-CB 4.29Å; F171-H228 HydrophobicContact CG-CB 4.04Å; F171-A232 HydrophobicContact CE1-CB 4.26Å |
| 172 | N | 94.3 | Very high | 96.8 | Very high | 81 Ų | 81 | 30 Ų | 30 | 43% | 0.433 | 17% | 0.166 | S | C | . | . | trans | -84.3 | 50.4 | -176.1 | -155.3 | -23.9 | 0 | 0 | 0 | 112.3 | P169 A170 R189 | P169-N172 WeakPolarHBondContact O-CB 3.28Å; P169-N172 PolarHBondContact O-N 3.26Å; P169-N172 VanDerWaalsContact O-N 3.16Å; A170-N172 PolarHBondContact O-N 2.84Å; N172-R189 PolarHBondContact ND2-NH2 2.94Å; N172-R189 PolarHBondContact OD1-NH2 2.75Å | ||
| 173 | T | 95.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 13% | 0.129 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -106.2 | 175.2 | 178.7 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | F171 S175 G176 L177 Y179 I253 | F171-T173 PolarHBondContact O-N 3.35Å; T173-S175 VanDerWaalsContact C-N 3.26Å; T173-S175 PolarHBondContact O-N 2.85Å; T173-S175 PolarHBondContact OG1-OG 3.39Å; T173-G176 PolarHBondContact OG1-N 3.49Å; T173-L177 WeakPolarHBondContact CB-O 3.46Å; T173-L177 WeakPolarHBondContact CG2-O 3.5Å; T173-L177 PolarHBondContact OG1-N 2.78Å; T173-L177 PolarHBondContact OG1-O 3.41Å; T173-Y179 HydrophobicContact CG2-CD2 3.78Å; T173-Y179 HydrophobicContact CG2-CE1 4.41Å; T173-Y179 HydrophobicContact CG2-CE2 3.56Å; T173-Y179 HydrophobicContact CG2-CG 4.27Å; T173-I253 HydrophobicContact CG2-CB 4.12Å; T173-I253 HydrophobicContact CG2-CD1 3.75Å; T173-I253 HydrophobicContact CG2-CG1 3.81Å |
| 174 | S | 94.6 | Very high | 96.6 | Very high | 95 Ų | 95 | 27.2 Ų | 27.2 | 66% | 0.664 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -74.4 | -16 | 178.4 | -47 | 0 | 0 | 0 | 0 | 113.7 | H254 | S174-H254 PolarHBondContact OG-ND1 3.2Š|
| 175 | S | 95.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -101.2 | -25.1 | 177.2 | 59 | 0 | 0 | 0 | 0 | 114 | T173 L177 F235 I253 | T173-S175 VanDerWaalsContact C-N 3.26Å; T173-S175 PolarHBondContact O-N 2.85Å; T173-S175 PolarHBondContact OG1-OG 3.39Å; S175-L177 VanDerWaalsContact C-N 3.31Å; S175-L177 WeakPolarHBondContact OG-CB 2.96Å; S175-L177 VanDerWaalsContact OG-CG 3.32Å; S175-L177 WeakPolarHBondContact OG-CG 3.09Å; S175-L177 PolarHBondContact OG-N 3Å; S175-F235 VanDerWaalsContact CB-CE1 3.44Å; S175-I253 VanDerWaalsContact CB-O 3.29Å; S175-I253 WeakPolarHBondContact CB-O 3.21Å; S175-I253 PolarHBondContact N-O 3.01Å; S175-I253 PolarHBondContact OG-O 3.23Å |
| 176 | G | 95.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 31 Ų | 31 | 14% | 0.144 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 84.1 | -0.3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F171 T173 | F171-G176 WeakPolarHBondContact CD1-O 3.39Å; T173-G176 PolarHBondContact OG1-N 3.49Å |
| 177 | L | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 143.7 | 165.2 | -57.1 | 177.4 | 0 | 0 | 0 | 109.5 | T173 S175 A206 A232 F235 L236 I251 I253 | T173-L177 WeakPolarHBondContact CB-O 3.46Å; T173-L177 WeakPolarHBondContact CG2-O 3.5Å; T173-L177 PolarHBondContact OG1-N 2.78Å; T173-L177 PolarHBondContact OG1-O 3.41Å; S175-L177 VanDerWaalsContact C-N 3.31Å; S175-L177 WeakPolarHBondContact OG-CB 2.96Å; S175-L177 VanDerWaalsContact OG-CG 3.32Å; S175-L177 WeakPolarHBondContact OG-CG 3.09Å; S175-L177 PolarHBondContact OG-N 3Å; L177-A206 HydrophobicContact CB-CB 4.36Å; L177-A206 HydrophobicContact CD2-CB 4.03Å; L177-A232 HydrophobicContact CD2-CB 4.1Å; L177-A232 WeakPolarHBondContact CD2-O 3.42Å; L177-F235 HydrophobicContact CD1-CD1 3.72Å; L177-F235 HydrophobicContact CD1-CE1 3.82Å; L177-F235 HydrophobicContact CD2-CB 4.26Å; L177-F235 HydrophobicContact CD2-CD1 3.93Å; L177-F235 HydrophobicContact CD2-CG 4.49Å; L177-F235 HydrophobicContact CG-CD1 3.75Å; L177-F235 HydrophobicContact CG-CE1 4.19Å; L177-F235 HydrophobicContact CG-CG 4.48Å; L177-L236 HydrophobicContact CD1-CD2 4.36Å; L177-L236 HydrophobicContact CD2-CD1 4.5Å; L177-L236 HydrophobicContact CD2-CD2 3.96Å; L177-L236 HydrophobicContact CD2-CG 3.77Å; L177-I251 HydrophobicContact CD1-CD1 4.1Å; L177-I251 HydrophobicContact CD1-CG1 4.34Å; L177-I251 HydrophobicContact CD1-CG2 3.74Å; L177-I253 HydrophobicContact CB-CB 4.34Å; L177-I253 HydrophobicContact CB-CG2 4.21Å |
| 178 | P | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 145 | 177.3 | 28.6 | -34.5 | 0 | 0 | 0 | 112.7 | V121 A170 F171 A206 | V121-P178 HydrophobicContact CG1-CB 4.15Å; A170-P178 HydrophobicContact CB-CB 4.07Å; A170-P178 CarbonylContact O-C 3.56Å; A170-P178 VanDerWaalsContact O-CA 3.3Å; A170-P178 WeakPolarHBondContact O-CA 3.3Å; F171-P178 HydrophobicContact CD1-CB 4.27Å; F171-P178 HydrophobicContact CD1-CG 4.5Å; F171-P178 HydrophobicContact CD2-CB 4.32Å; F171-P178 HydrophobicContact CE1-CB 4.23Å; F171-P178 HydrophobicContact CE1-CG 4.14Å; F171-P178 HydrophobicContact CE2-CB 4.26Å; F171-P178 HydrophobicContact CG-CB 4.32Å; F171-P178 HydrophobicContact CZ-CB 4.23Å; F171-P178 HydrophobicContact CZ-CG 4.31Å; P178-A206 HydrophobicContact CG-CB 4.17Å |
| 179 | Y | 97.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -53.2 | 144.9 | 156.3 | -69.9 | -82.8 | 0 | 0 | 0 | 109.3 | V121 A170 T173 R181 V188 E198 I253 | V121-Y179 WeakPolarHBondContact CG2-O 3.2Å; A170-Y179 WeakPolarHBondContact O-CD2 3.41Å; A170-Y179 PolarHBondContact O-N 2.95Å; T173-Y179 HydrophobicContact CG2-CD2 3.78Å; T173-Y179 HydrophobicContact CG2-CE1 4.41Å; T173-Y179 HydrophobicContact CG2-CE2 3.56Å; T173-Y179 HydrophobicContact CG2-CG 4.27Å; Y179-R181 PolarHBondContact O-N 3.18Å; Y179-V188 HydrophobicContact CD2-CB 4.11Å; Y179-V188 HydrophobicContact CD2-CG1 4.05Å; Y179-V188 HydrophobicContact CD2-CG2 3.94Å; Y179-V188 HydrophobicContact CE2-CB 4.31Å; Y179-V188 HydrophobicContact CE2-CG2 3.9Å; Y179-V188 HydrophobicContact CG-CG1 4.42Å; Y179-E198 WeakPolarHBondContact CD1-O 3.11Å; Y179-I253 HydrophobicContact CD1-CD1 3.33Å; Y179-I253 HydrophobicContact CE1-CD1 3.57Å; Y179-I253 HydrophobicContact CG-CD1 3.91Å |
| 180 | P | 95.6 | Very high | 94.6 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -67 | -24.8 | 178.4 | 29 | -36.7 | 0 | 0 | 0 | 112.8 | S120 V121 E198 D200 | S120-P180 WeakPolarHBondContact CA-O 3.42Å; V121-P180 PolarHBondContact N-O 2.69Å; P180-E198 HydrophobicContact CG-CB 3.84Å; P180-E198 HydrophobicContact CG-CG 4.19Å; P180-D200 WeakPolarHBondContact CG-O 3.46Å |
| 181 | R | 96 | Very high | 93.9 | Very high | 67 Ų | 67 | 42.5 Ų | 42.5 | 25% | 0.253 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 153.2 | -173.6 | -75 | 174.7 | 173.7 | 123 | 4.2 | 111.6 | D72 D75 V118 V119 Y179 T195 E198 | D72-R181 IonicContact OD1-CZ 3.36Å; D72-R181 IonicContact OD1-NH2 3.85Å; D72-R181 PolarHBondContact OD1-NH2 2.92Å; D75-R181 IonicContact OD1-NE 3.25Å; D75-R181 IonicContact OD2-CZ 2.73Å; D75-R181 IonicContact OD2-NE 2.73Å; D75-R181 PolarHBondContact OD2-NE 3.2Å; D75-R181 IonicContact OD2-NH2 3.43Å; D75-R181 PolarHBondContact OD2-NH2 2.95Å; V118-R181 HydrophobicContact CG1-CB 3.86Å; V118-R181 HydrophobicContact CG1-CG 4.18Å; V119-R181 CarbonylContact O-C 3.58Å; V119-R181 VanDerWaalsContact O-CA 3.3Å; V119-R181 WeakPolarHBondContact O-CA 3.27Å; Y179-R181 PolarHBondContact O-N 3.18Å; R181-T195 WeakPolarHBondContact CB-OG1 3.49Å; R181-E198 WeakPolarHBondContact CD-OE1 3.41Å |
| 182 | I | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 146.1 | 175.1 | -170.9 | 152.3 | 0 | 0 | 0 | 111.4 | V118 V119 V121 R166 L167 P169 A170 V188 | V118-I182 CarbonylContact C-O 3.45Å; V118-I182 WeakPolarHBondContact CA-O 3.43Å; V119-I182 HydrophobicContact CG2-CG2 3.99Å; V119-I182 PolarHBondContact N-O 2.73Å; V119-I182 PolarHBondContact O-N 2.83Å; V121-I182 HydrophobicContact CG2-CB 3.81Å; V121-I182 HydrophobicContact CG2-CG2 3.54Å; R166-I182 WeakPolarHBondContact O-CD1 3.45Å; L167-I182 HydrophobicContact CD2-CG2 3.85Å; P169-I182 HydrophobicContact CB-CD1 4.05Å; P169-I182 HydrophobicContact CG-CD1 4.48Å; A170-I182 HydrophobicContact CB-CD1 4.02Å; I182-V188 HydrophobicContact CB-CG1 4.05Å; I182-V188 HydrophobicContact CD1-CG1 3.9Å; I182-V188 HydrophobicContact CG1-CG1 3.75Å |
| 183 | N | 96.9 | Very high | 93 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123 | 167.9 | -175.6 | -54.2 | 0 | 0 | 0 | 110 | D116 I117 V118 K185 H186 G187 T193 T195 | D116-N183 PolarHBondContact OD1-ND2 2.86Å; I117-N183 WeakPolarHBondContact O-CA 3.35Å; V118-N183 HydrophobicContact CG2-CB 4.34Å; N183-K185 PolarHBondContact O-N 3.31Å; N183-K185 VanDerWaalsContact O-N 3.08Å; N183-K185 PolarHBondContact OD1-N 3.13Å; N183-H186 HydrophobicContact CB-CB 4.31Å; N183-H186 PolarHBondContact OD1-N 2.91Å; N183-G187 WeakPolarHBondContact CB-O 3.33Å; N183-G187 PolarHBondContact N-O 3.31Å; N183-G187 VanDerWaalsContact O-CA 3.29Å; N183-G187 WeakPolarHBondContact O-CA 3.2Å; N183-G187 PolarHBondContact O-N 3.41Å; N183-T193 WeakPolarHBondContact CB-O 3.27Å; N183-T193 PolarHBondContact ND2-O 2.84Å; N183-T195 HydrophobicContact CB-CG2 4.37Å |
| 184 | L | 94.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.8 | -175.1 | -74.3 | 180 | 0 | 0 | 0 | 114.8 | F80 I117 V119 L163 R166 | F80-L184 HydrophobicContact CD1-CD1 4.02Å; F80-L184 HydrophobicContact CE1-CD1 4.07Å; I117-L184 HydrophobicContact CG2-CD1 3.98Å; I117-L184 HydrophobicContact CG2-CG 4.45Å; I117-L184 PolarHBondContact O-N 3Å; V119-L184 HydrophobicContact CG1-CD1 4.03Å; V119-L184 HydrophobicContact CG1-CG 4.2Å; V119-L184 HydrophobicContact CG2-CD1 4.31Å; V119-L184 HydrophobicContact CG2-CD2 3.75Å; V119-L184 HydrophobicContact CG2-CG 3.75Å; L163-L184 HydrophobicContact CD1-CD2 4.05Å; R166-L184 WeakPolarHBondContact CD-O 3.44Å; R166-L184 PolarHBondContact NH1-O 2.89Å |
| 185 | K | 94.7 | Very high | 92.5 | Very high | 116 Ų | 116 | 46.4 Ų | 46.4 | 50% | 0.504 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -38.3 | -179 | -178.3 | -173 | 167.7 | -151.9 | 0 | 113.3 | D114 N115 D116 N183 | D114-K185 WeakPolarHBondContact O-CB 3.17Å; D114-K185 WeakPolarHBondContact O-CD 3.34Å; N115-K185 WeakPolarHBondContact O-CB 3.42Å; D116-K185 HydrophobicContact CB-CD 4Å; N183-K185 PolarHBondContact O-N 3.31Å; N183-K185 VanDerWaalsContact O-N 3.08Å; N183-K185 PolarHBondContact OD1-N 3.13Å |
| 186 | H | 94.5 | Very high | 92 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -10.1 | -174.1 | -60.9 | -102 | 0 | 0 | 0 | 113.6 | D116 N183 E192 T193 | D116-H186 IonicContact OD1-CD2 3.26Å; D116-H186 PolarHBondContact OD1-CD2 3.12Å; D116-H186 IonicContact OD1-NE2 3.58Å; N183-H186 HydrophobicContact CB-CB 4.31Å; N183-H186 PolarHBondContact OD1-N 2.91Å; H186-E192 HydrophobicContact CB-CB 4.46Å; H186-E192 IonicContact CE1-OE2 3.04Å; H186-E192 PolarHBondContact CE1-OE2 3.39Å; H186-E192 IonicContact ND1-OE2 3.22Å; H186-E192 PolarHBondContact ND1-OE2 3.41Å; H186-T193 HydrophobicContact CB-CG2 3.8Å; H186-T193 VanDerWaalsContact O-CG2 3.27Å; H186-T193 WeakPolarHBondContact O-CG2 3.25Å |
| 187 | G | 94 | Very high | 91.6 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | 76.5 | -137.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N183 T193 | N183-G187 WeakPolarHBondContact CB-O 3.33Å; N183-G187 PolarHBondContact N-O 3.31Å; N183-G187 VanDerWaalsContact O-CA 3.29Å; N183-G187 WeakPolarHBondContact O-CA 3.2Å; N183-G187 PolarHBondContact O-N 3.41Å; G187-T193 WeakPolarHBondContact O-CB 3.24Å; G187-T193 WeakPolarHBondContact O-CG2 3.32Å |
| 188 | V | 92.2 | Very high | 91.3 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 15.1 | -179.3 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | P169 Y179 I182 | P169-V188 HydrophobicContact CB-CG2 4.26Å; P169-V188 VanDerWaalsContact O-CG2 3.26Å; P169-V188 WeakPolarHBondContact O-CG2 3.39Å; Y179-V188 HydrophobicContact CD2-CB 4.11Å; Y179-V188 HydrophobicContact CD2-CG1 4.05Å; Y179-V188 HydrophobicContact CD2-CG2 3.94Å; Y179-V188 HydrophobicContact CE2-CB 4.31Å; Y179-V188 HydrophobicContact CE2-CG2 3.9Å; Y179-V188 HydrophobicContact CG-CG1 4.42Å; I182-V188 HydrophobicContact CB-CG1 4.05Å; I182-V188 HydrophobicContact CD1-CG1 3.9Å; I182-V188 HydrophobicContact CG1-CG1 3.75Å |
| 189 | R | 85.9 | Confident | 91.1 | Very high | 169 Ų | 169 | 57 Ų | 57 | 64% | 0.638 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -136 | 110.6 | 179.4 | -68.3 | -173.8 | 176.8 | 172.1 | 2.8 | 112.5 | N172 | N172-R189 PolarHBondContact ND2-NH2 2.94Å; N172-R189 PolarHBondContact OD1-NH2 2.75Å |
| 190 | G | 82.6 | Confident | 91 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 50% | 0.495 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 145.1 | 171.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E192 T193 | G190-E192 VanDerWaalsContact C-N 3.31Å; G190-T193 PolarHBondContact O-OG1 3.49Å; G190-T193 VanDerWaalsContact O-OG1 3.06Å |
| 191 | P | 82 | Confident | 91.1 | Very high | 131 Ų | 131 | 57.3 Ų | 57.3 | 85% | 0.851 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -70.9 | -29.1 | 172.1 | 28.8 | -33 | 0 | 0 | 0 | 112.2 | T193 | P191-T193 VanDerWaalsContact C-N 3.32Å; P191-T193 PolarHBondContact O-N 3.09Å |
| 192 | E | 84.9 | Confident | 91.1 | Very high | 125 Ų | 125 | 55.3 Ų | 55.3 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -19.6 | -175.7 | -59.8 | 176 | 153.7 | 0 | 0 | 113.6 | H186 G190 R194 | H186-E192 HydrophobicContact CB-CB 4.46Å; H186-E192 IonicContact CE1-OE2 3.04Å; H186-E192 PolarHBondContact CE1-OE2 3.39Å; H186-E192 IonicContact ND1-OE2 3.22Å; H186-E192 PolarHBondContact ND1-OE2 3.41Å; G190-E192 VanDerWaalsContact C-N 3.31Å; E192-R194 VanDerWaalsContact C-N 3.35Å; E192-R194 PolarHBondContact O-N 3.01Å |
| 193 | T | 87.8 | Confident | 91.1 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -34.8 | -173.4 | 55 | 0 | 0 | 0 | 0 | 112.9 | V118 N183 H186 G187 G190 P191 T195 | V118-T193 WeakPolarHBondContact CG2-O 3.46Å; N183-T193 WeakPolarHBondContact CB-O 3.27Å; N183-T193 PolarHBondContact ND2-O 2.84Å; H186-T193 HydrophobicContact CB-CG2 3.8Å; H186-T193 VanDerWaalsContact O-CG2 3.27Å; H186-T193 WeakPolarHBondContact O-CG2 3.25Å; G187-T193 WeakPolarHBondContact O-CB 3.24Å; G187-T193 WeakPolarHBondContact O-CG2 3.32Å; G190-T193 PolarHBondContact O-OG1 3.49Å; G190-T193 VanDerWaalsContact O-OG1 3.06Å; P191-T193 VanDerWaalsContact C-N 3.32Å; P191-T193 PolarHBondContact O-N 3.09Å; T193-T195 WeakPolarHBondContact CB-O 3.33Å; T193-T195 PolarHBondContact O-N 3.06Å; T193-T195 PolarHBondContact OG1-O 2.85Å |
| 194 | R | 89.6 | Confident | 91.1 | Very high | 151 Ų | 151 | 55.3 Ų | 55.3 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 60.5 | 19.3 | -173.4 | -56.9 | 166.8 | -79.6 | 156.6 | -3.8 | 113.5 | D116 V118 E192 | D116-R194 PolarHBondContact O-NH2 2.88Å; D116-R194 IonicContact OD1-CZ 2.7Å; D116-R194 IonicContact OD1-NH2 3.03Å; D116-R194 PolarHBondContact OD1-NH2 3.47Å; D116-R194 IonicContact OD2-NH2 3.32Å; D116-R194 PolarHBondContact OD2-NH2 2.92Å; V118-R194 HydrophobicContact CG2-CB 4.08Å; E192-R194 VanDerWaalsContact C-N 3.35Å; E192-R194 PolarHBondContact O-N 3.01Å |
| 195 | T | 90.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | trans | -162.7 | 164.7 | 179.3 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | V118 R181 N183 T193 E198 | V118-T195 HydrophobicContact CG1-CG2 3.99Å; V118-T195 HydrophobicContact CG2-CG2 3.98Å; R181-T195 WeakPolarHBondContact CB-OG1 3.49Å; N183-T195 HydrophobicContact CB-CG2 4.37Å; T193-T195 WeakPolarHBondContact CB-O 3.33Å; T193-T195 PolarHBondContact O-N 3.06Å; T193-T195 PolarHBondContact OG1-O 2.85Å; T195-E198 WeakPolarHBondContact CB-OE1 3.38Å; T195-E198 VanDerWaalsContact OG1-CD 3.24Å; T195-E198 PolarHBondContact OG1-OE1 2.89Å; T195-E198 PolarHBondContact OG1-OE2 3.08Å | ||
| 196 | G | 84.4 | Confident | 91.3 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 106.9 | 14 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E198 | G196-E198 PolarHBondContact N-OE2 3.49Š|
| 197 | T | 88.2 | Confident | 91.4 | Very high | 128 Ų | 128 | 48.5 Ų | 48.5 | 79% | 0.785 | 27% | 0.268 | S | S | * | . | trans | -112.5 | -12 | 174.8 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | T199 | T197-T199 PolarHBondContact O-N 3.37Š| ||
| 198 | E | 91.5 | Very high | 91.6 | Very high | 38 Ų | 38 | 48 Ų | 48 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | trans | -64.2 | 119.3 | 176.6 | -59.8 | 90 | 144.9 | 0 | 0 | 109.7 | Y179 P180 R181 T195 G196 I253 | Y179-E198 WeakPolarHBondContact CD1-O 3.11Å; P180-E198 HydrophobicContact CG-CB 3.84Å; P180-E198 HydrophobicContact CG-CG 4.19Å; R181-E198 WeakPolarHBondContact CD-OE1 3.41Å; T195-E198 WeakPolarHBondContact CB-OE1 3.38Å; T195-E198 VanDerWaalsContact OG1-CD 3.24Å; T195-E198 PolarHBondContact OG1-OE1 2.89Å; T195-E198 PolarHBondContact OG1-OE2 3.08Å; G196-E198 PolarHBondContact N-OE2 3.49Å; E198-I253 WeakPolarHBondContact O-CD1 3.19Å | ||
| 199 | T | 94.1 | Very high | 91.9 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | trans | -90.2 | -10.8 | -177.3 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | T197 N252 I253 | T197-T199 PolarHBondContact O-N 3.37Å; T199-N252 WeakPolarHBondContact CB-ND2 3.07Å; T199-N252 CarbonylContact O-C 3.53Å; T199-N252 VanDerWaalsContact O-CA 3.28Å; T199-N252 WeakPolarHBondContact O-CA 3.44Å; T199-N252 VanDerWaalsContact O-CG 3.31Å; T199-N252 PolarHBondContact O-ND2 3.4Å; T199-N252 VanDerWaalsContact O-ND2 3.12Å; T199-N252 PolarHBondContact OG1-ND2 3.25Å; T199-I253 WeakPolarHBondContact O-CG1 3.34Å; T199-I253 PolarHBondContact O-N 2.89Å | ||
| 200 | D | 95.2 | Very high | 92.5 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.2 | -163.3 | -63.6 | -1.6 | 0 | 0 | 0 | 110.9 | P180 T250 I251 N252 | P180-D200 WeakPolarHBondContact CG-O 3.46Å; D200-T250 HydrophobicContact CB-CG2 4.08Å; D200-I251 WeakPolarHBondContact CA-O 3.26Å; D200-N252 PolarHBondContact OD1-ND2 3.49Å |
| 201 | T | 96.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 160.4 | 177.7 | -163.8 | 0 | 0 | 0 | 0 | 110.8 | C205 A206 T250 I251 I253 | T201-C205 WeakPolarHBondContact OG1-CB 3.46Å; T201-A206 HydrophobicContact CG2-CB 3.86Å; T201-T250 WeakPolarHBondContact O-CA 3.23Å; T201-T250 WeakPolarHBondContact O-CG2 3.49Å; T201-I251 HydrophobicContact CG2-CG2 3.93Å; T201-I251 PolarHBondContact N-O 3.16Å; T201-I251 PolarHBondContact O-N 2.87Å; T201-I253 HydrophobicContact CG2-CG2 3.44Å; T201-I253 VanDerWaalsContact CG2-CG2 3.44Å |
| 202 | C | 95.9 | Very high | 94 | Very high | 25 Ų | 25 | 31 Ų | 31 | 17% | 0.169 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 158.3 | 176.1 | 88.2 | 0 | 0 | 0 | 0 | 112.4 | C205 A206 T249 | C202-C205 HydrophobicContact CB-CB 4.01Å; C202-C205 WeakPolarHBondContact CB-SG 3.46Å; C202-C205 VanDerWaalsContact O-CB 3.3Å; C202-C205 WeakPolarHBondContact O-CB 3.39Å; C202-C205 PolarHBondContact O-N 3Å; C202-C205 WeakPolarHBondContact SG-CB 3.33Å; C202-C205 PolarHBondContact SG-N 3.18Å; C202-C205 CovalentContact SG-SG 2.05Å; C202-C205 PolarHBondContact SG-SG 3.25Å; C202-A206 PolarHBondContact O-N 3.35Å; C202-A206 VanDerWaalsContact O-N 3.09Å; C202-T249 VanDerWaalsContact CA-O 3.29Å; C202-T249 WeakPolarHBondContact CA-O 3.09Å |
| 203 | T | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | -176 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | G207 V247 G248 T249 W258 G268 I269 Y272 | T203-G207 PolarHBondContact O-N 2.92Å; T203-V247 HydrophobicContact CG2-CB 4.4Å; T203-V247 HydrophobicContact CG2-CG2 4.01Å; T203-G248 PolarHBondContact OG1-O 3.38Å; T203-T249 PolarHBondContact N-O 2.97Å; T203-T249 VanDerWaalsContact N-O 3.12Å; T203-W258 WeakPolarHBondContact OG1-CZ3 3.43Å; T203-G268 PolarHBondContact N-O 3.07Å; T203-I269 HydrophobicContact CG2-CG2 4.15Å; T203-Y272 HydrophobicContact CG2-CD1 3.85Å; T203-Y272 HydrophobicContact CG2-CD2 4.42Å; T203-Y272 HydrophobicContact CG2-CE1 4.44Å; T203-Y272 HydrophobicContact CG2-CG 3.84Å |
| 204 | A | 97.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F122 A206 G207 T208 G268 D270 S271 | F122-A204 HydrophobicContact CE2-CB 4.28Å; A204-A206 PolarHBondContact O-N 3.19Å; A204-G207 PolarHBondContact O-N 3.18Å; A204-T208 VanDerWaalsContact O-CB 3.27Å; A204-T208 WeakPolarHBondContact O-CB 3.25Å; A204-T208 PolarHBondContact O-N 3.1Å; A204-T208 PolarHBondContact O-OG1 3.19Å; A204-G268 PolarHBondContact N-O 3.33Å; A204-D270 VanDerWaalsContact CB-OD1 3.23Å; A204-D270 WeakPolarHBondContact CB-OD1 3.39Å; A204-S271 WeakPolarHBondContact CB-OG 3.4Å |
| 205 | C | 96.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 17.6 Ų | 17.6 | 16% | 0.162 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -52.7 | -34.9 | -178.2 | -55 | 0 | 0 | 0 | 0 | 113.7 | F122 T201 C202 | F122-C205 HydrophobicContact CB-CB 4.26Å; T201-C205 WeakPolarHBondContact OG1-CB 3.46Å; C202-C205 HydrophobicContact CB-CB 4.01Å; C202-C205 WeakPolarHBondContact CB-SG 3.46Å; C202-C205 VanDerWaalsContact O-CB 3.3Å; C202-C205 WeakPolarHBondContact O-CB 3.39Å; C202-C205 PolarHBondContact O-N 3Å; C202-C205 WeakPolarHBondContact SG-CB 3.33Å; C202-C205 PolarHBondContact SG-N 3.18Å; C202-C205 CovalentContact SG-SG 2.05Å; C202-C205 PolarHBondContact SG-SG 3.25Å |
| 206 | A | 96.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -98.1 | -19.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L177 P178 T201 C202 A204 L236 | L177-A206 HydrophobicContact CB-CB 4.36Å; L177-A206 HydrophobicContact CD2-CB 4.03Å; P178-A206 HydrophobicContact CG-CB 4.17Å; T201-A206 HydrophobicContact CG2-CB 3.86Å; C202-A206 PolarHBondContact O-N 3.35Å; C202-A206 VanDerWaalsContact O-N 3.09Å; A204-A206 PolarHBondContact O-N 3.19Å; A206-L236 HydrophobicContact CB-CD1 4.15Å |
| 207 | G | 97 | Very high | 96.5 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -91 | -32.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T203 A204 M209 | T203-G207 PolarHBondContact O-N 2.92Å; A204-G207 PolarHBondContact O-N 3.18Å; G207-M209 PolarHBondContact O-N 3.12Å |
| 208 | T | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 52.2 | -167.5 | -47.2 | 0 | 0 | 0 | 0 | 111.4 | F122 N125 I126 A204 S271 Y272 Y275 T468 | F122-T208 HydrophobicContact CE2-CG2 3.95Å; N125-T208 PolarHBondContact ND2-O 3.3Å; I126-T208 HydrophobicContact CG2-CG2 3.87Å; A204-T208 VanDerWaalsContact O-CB 3.27Å; A204-T208 WeakPolarHBondContact O-CB 3.25Å; A204-T208 PolarHBondContact O-N 3.1Å; A204-T208 PolarHBondContact O-OG1 3.19Å; T208-S271 WeakPolarHBondContact CG2-OG 3.27Å; T208-S271 VanDerWaalsContact OG1-C 3.31Å; T208-S271 WeakPolarHBondContact OG1-CB 3.5Å; T208-S271 PolarHBondContact OG1-OG 3.02Å; T208-Y272 PolarHBondContact OG1-N 3.12Å; T208-Y275 HydrophobicContact CG2-CD1 3.94Å; T208-Y275 HydrophobicContact CG2-CD2 3.73Å; T208-Y275 HydrophobicContact CG2-CE1 3.67Å; T208-Y275 HydrophobicContact CG2-CE2 3.42Å; T208-Y275 VanDerWaalsContact CG2-CE2 3.42Å; T208-Y275 HydrophobicContact CG2-CG 3.99Å; T208-T468 HydrophobicContact CG2-CG2 3.92Å |
| 209 | M | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -17.9 | -179.6 | -54.2 | -64.6 | -70.2 | 0 | 0 | 112.6 | V121 N125 F171 G207 F213 A229 | V121-M209 HydrophobicContact CG1-CE 3.69Å; V121-M209 HydrophobicContact CG1-SD 4.42Å; N125-M209 HydrophobicContact CB-CE 3.65Å; N125-M209 HydrophobicContact CB-SD 3.67Å; F171-M209 HydrophobicContact CE2-CE 4.02Å; F171-M209 HydrophobicContact CZ-CB 4.28Å; F171-M209 HydrophobicContact CZ-CE 3.75Å; F171-M209 HydrophobicContact CZ-CG 4.07Å; G207-M209 PolarHBondContact O-N 3.12Å; M209-F213 HydrophobicContact CE-CE1 3.8Å; M209-F213 HydrophobicContact CE-CE2 4.46Å; M209-F213 HydrophobicContact CE-CZ 3.77Å; M209-F213 VanDerWaalsContact O-CB 3.23Å; M209-F213 WeakPolarHBondContact O-CB 3.47Å; M209-F213 PolarHBondContact O-N 3.36Å; M209-F213 VanDerWaalsContact O-N 3.13Å; M209-A229 HydrophobicContact CB-CB 3.95Å |
| 210 | I | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -73.3 | -32.7 | -164.9 | -172.3 | 60.7 | 0 | 0 | 0 | 114.2 | A214 E226 A229 R230 L233 Y275 A279 L283 F288 | I210-A214 HydrophobicContact CD1-CB 4.42Å; I210-A214 WeakPolarHBondContact O-CB 3.49Å; I210-A214 PolarHBondContact O-N 2.9Å; I210-E226 HydrophobicContact CD1-CG 3.94Å; I210-A229 HydrophobicContact CB-CB 4.25Å; I210-A229 HydrophobicContact CD1-CB 3.89Å; I210-R230 HydrophobicContact CD1-CB 4.3Å; I210-L233 HydrophobicContact CB-CD1 3.63Å; I210-L233 HydrophobicContact CG1-CD1 4.01Å; I210-L233 HydrophobicContact CG2-CD1 3.57Å; I210-Y275 HydrophobicContact CG2-CD2 3.86Å; I210-Y275 HydrophobicContact CG2-CG 4.36Å; I210-A279 HydrophobicContact CG1-CB 4.33Å; I210-A279 HydrophobicContact CG2-CB 3.91Å; I210-L283 HydrophobicContact CG1-CD1 4.45Å; I210-F288 HydrophobicContact CD1-CZ 4.43Å; I210-F288 HydrophobicContact CG1-CZ 4.11Å |
| 211 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.8 | -47.8 | -176.9 | -62 | -174.9 | 0 | 0 | 0 | 111.1 | A215 Y275 K278 A279 L282 T467 L473 | L211-A215 WeakPolarHBondContact O-CB 3.44Å; L211-A215 PolarHBondContact O-N 3.33Å; L211-Y275 HydrophobicContact CB-CD2 4.29Å; L211-Y275 HydrophobicContact CB-CE2 3.83Å; L211-Y275 HydrophobicContact CD1-CD1 3.82Å; L211-Y275 HydrophobicContact CD1-CD2 4.15Å; L211-Y275 HydrophobicContact CD1-CE1 3.49Å; L211-Y275 VanDerWaalsContact CD1-CE1 3.49Å; L211-Y275 HydrophobicContact CD1-CE2 3.86Å; L211-Y275 HydrophobicContact CD1-CG 4.13Å; L211-Y275 HydrophobicContact CG-CD1 4.22Å; L211-Y275 HydrophobicContact CG-CD2 3.7Å; L211-Y275 HydrophobicContact CG-CE1 4.14Å; L211-Y275 HydrophobicContact CG-CE2 3.61Å; L211-Y275 HydrophobicContact CG-CG 4Å; L211-K278 HydrophobicContact CD1-CB 3.82Å; L211-K278 HydrophobicContact CD1-CD 4.23Å; L211-K278 HydrophobicContact CD2-CB 4.09Å; L211-A279 HydrophobicContact CD2-CB 4.03Å; L211-L282 HydrophobicContact CB-CD2 4.38Å; L211-L282 HydrophobicContact CD2-CB 4.35Å; L211-L282 HydrophobicContact CD2-CD2 3.89Å; L211-T467 HydrophobicContact CB-CG2 4.49Å; L211-T467 HydrophobicContact CD1-CG2 4.39Å; L211-L473 HydrophobicContact CB-CD1 3.92Å |
| 212 | E | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -72.1 | -44.3 | -178 | -55.3 | 70.6 | -151.4 | 0 | 0 | 110.4 | N125 L129 L133 A215 L216 Y275 T467 | N125-E212 VanDerWaalsContact ND2-CD 3.28Å; N125-E212 PolarHBondContact ND2-OE2 2.92Å; L129-E212 HydrophobicContact CD2-CB 3.93Å; L129-E212 HydrophobicContact CG-CB 4.07Å; L133-E212 HydrophobicContact CD1-CB 4.01Å; L133-E212 VanDerWaalsContact CD1-O 3.32Å; L133-E212 WeakPolarHBondContact CD1-O 3.2Å; E212-A215 PolarHBondContact O-N 2.93Å; E212-L216 VanDerWaalsContact O-CB 3.23Å; E212-L216 WeakPolarHBondContact O-CB 3.4Å; E212-L216 PolarHBondContact O-N 2.87Å; E212-Y275 PolarHBondContact OE1-OH 3.1Å; E212-Y275 WeakPolarHBondContact OE2-CE2 3.33Å; E212-T467 WeakPolarHBondContact OE1-CG2 3.45Å |
| 213 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.1 | -37.3 | 179.1 | -81.7 | 35.6 | 0 | 0 | 0 | 111.5 | N125 L129 L167 L168 F171 M209 S217 F225 A229 | N125-F213 VanDerWaalsContact OD1-CD1 3.27Å; N125-F213 WeakPolarHBondContact OD1-CD1 3.36Å; N125-F213 WeakPolarHBondContact OD1-CE1 3.44Å; L129-F213 HydrophobicContact CD2-CD1 3.68Å; L129-F213 HydrophobicContact CD2-CE1 3.61Å; L167-F213 HydrophobicContact CB-CZ 4.01Å; L167-F213 HydrophobicContact CD1-CE1 4.26Å; L167-F213 HydrophobicContact CD1-CZ 4.38Å; L168-F213 HydrophobicContact CD2-CE2 4.28Å; F171-F213 HydrophobicContact CD2-CE2 4.36Å; F171-F213 HydrophobicContact CE2-CD2 4.42Å; F171-F213 AromaticContact CE2-CE2 3.43Å; F171-F213 HydrophobicContact CE2-CE2 3.43Å; F171-F213 VanDerWaalsContact CE2-CE2 3.43Å; F171-F213 AromaticContact CE2-CZ 3.79Å; F171-F213 HydrophobicContact CE2-CZ 3.79Å; F171-F213 HydrophobicContact CZ-CD2 4.24Å; F171-F213 AromaticContact CZ-CE2 3.64Å; F171-F213 HydrophobicContact CZ-CE2 3.64Å; F171-F213 HydrophobicContact CZ-CZ 4.15Å; M209-F213 HydrophobicContact CE-CE1 3.8Å; M209-F213 HydrophobicContact CE-CE2 4.46Å; M209-F213 HydrophobicContact CE-CZ 3.77Å; M209-F213 VanDerWaalsContact O-CB 3.23Å; M209-F213 WeakPolarHBondContact O-CB 3.47Å; M209-F213 PolarHBondContact O-N 3.36Å; M209-F213 VanDerWaalsContact O-N 3.13Å; F213-S217 WeakPolarHBondContact O-CB 3.42Å; F213-S217 PolarHBondContact O-N 3.45Å; F213-S217 PolarHBondContact O-OG 3.45Å; F213-F225 HydrophobicContact CB-CB 3.8Å; F213-F225 HydrophobicContact CD2-CB 3.83Å; F213-F225 WeakPolarHBondContact CD2-O 3.35Å; F213-F225 HydrophobicContact CG-CB 3.94Å; F213-F225 WeakPolarHBondContact O-CB 3.36Å; F213-A229 HydrophobicContact CB-CB 3.88Å; F213-A229 HydrophobicContact CD2-CB 4.13Å; F213-A229 HydrophobicContact CG-CB 4.25Å |
| 214 | A | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.7 | -48.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I210 L216 S217 R218 E226 L283 | I210-A214 HydrophobicContact CD1-CB 4.42Å; I210-A214 WeakPolarHBondContact O-CB 3.49Å; I210-A214 PolarHBondContact O-N 2.9Å; A214-L216 PolarHBondContact O-N 2.94Å; A214-S217 CarbonylContact O-C 3.57Å; A214-S217 WeakPolarHBondContact O-CA 3.44Å; A214-S217 WeakPolarHBondContact O-CB 3.25Å; A214-S217 PolarHBondContact O-N 3.11Å; A214-R218 WeakPolarHBondContact O-CG 3.44Å; A214-R218 PolarHBondContact O-N 3.43Å; A214-E226 HydrophobicContact CB-CB 4.38Å; A214-E226 HydrophobicContact CB-CG 3.87Å; A214-L283 HydrophobicContact CB-CD1 3.86Å; A214-L283 HydrophobicContact CB-CD2 3.82Å; A214-L283 HydrophobicContact CB-CG 4.43Å |
| 215 | A | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L133 L211 E212 S217 R218 F219 L473 L477 | L133-A215 HydrophobicContact CD1-CB 4.26Å; L211-A215 WeakPolarHBondContact O-CB 3.44Å; L211-A215 PolarHBondContact O-N 3.33Å; E212-A215 PolarHBondContact O-N 2.93Å; A215-S217 VanDerWaalsContact C-N 3.31Å; A215-S217 PolarHBondContact O-N 3.25Å; A215-R218 PolarHBondContact O-N 2.94Å; A215-R218 VanDerWaalsContact O-N 3.12Å; A215-F219 HydrophobicContact CB-CD2 4.34Å; A215-F219 HydrophobicContact CB-CE2 4.23Å; A215-F219 WeakPolarHBondContact O-CD2 3.38Å; A215-F219 PolarHBondContact O-N 2.86Å; A215-L473 HydrophobicContact CB-CD1 4.1Å; A215-L473 HydrophobicContact CB-CD2 3.97Å; A215-L477 HydrophobicContact CB-CD1 3.85Å |
| 216 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 173.4 | -177 | 65.1 | 0 | 0 | 0 | 111.8 | L129 L133 L157 A160 K161 E212 A214 T220 F225 | L129-L216 HydrophobicContact CD1-CD2 4.22Å; L129-L216 HydrophobicContact CD2-CD2 4.29Å; L133-L216 HydrophobicContact CD1-CB 4.27Å; L133-L216 HydrophobicContact CD2-CB 4.36Å; L133-L216 HydrophobicContact CD2-CD1 4.18Å; L157-L216 HydrophobicContact CD1-CD1 4.1Å; A160-L216 HydrophobicContact CB-CD1 3.94Å; K161-L216 HydrophobicContact CB-CD1 4.28Å; E212-L216 VanDerWaalsContact O-CB 3.23Å; E212-L216 WeakPolarHBondContact O-CB 3.4Å; E212-L216 PolarHBondContact O-N 2.87Å; A214-L216 PolarHBondContact O-N 2.94Å; L216-T220 HydrophobicContact CD1-CG2 3.7Å; L216-T220 HydrophobicContact CG-CG2 4.34Å; L216-T220 WeakPolarHBondContact O-CB 3.33Å; L216-T220 VanDerWaalsContact O-CG2 3.29Å; L216-T220 WeakPolarHBondContact O-CG2 3.39Å; L216-T220 PolarHBondContact O-N 3.12Å; L216-T220 PolarHBondContact O-OG1 3.33Å; L216-F225 HydrophobicContact CB-CD2 4.38Å; L216-F225 HydrophobicContact CD2-CB 4.43Å; L216-F225 HydrophobicContact CD2-CD1 3.81Å; L216-F225 HydrophobicContact CD2-CD2 3.63Å; L216-F225 HydrophobicContact CD2-CE1 3.91Å; L216-F225 HydrophobicContact CD2-CE2 3.73Å; L216-F225 HydrophobicContact CD2-CG 3.68Å; L216-F225 HydrophobicContact CD2-CZ 3.87Å; L216-F225 HydrophobicContact CG-CD2 3.75Å; L216-F225 HydrophobicContact CG-CE2 3.89Å; L216-F225 HydrophobicContact CG-CG 4.22Å; L216-F225 HydrophobicContact CG-CZ 4.49Å |
| 217 | S | 97.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 173.7 | -77 | 0 | 0 | 0 | 0 | 113.1 | F213 A214 A215 G221 D222 E226 | F213-S217 WeakPolarHBondContact O-CB 3.42Å; F213-S217 PolarHBondContact O-N 3.45Å; F213-S217 PolarHBondContact O-OG 3.45Å; A214-S217 CarbonylContact O-C 3.57Å; A214-S217 WeakPolarHBondContact O-CA 3.44Å; A214-S217 WeakPolarHBondContact O-CB 3.25Å; A214-S217 PolarHBondContact O-N 3.11Å; A215-S217 VanDerWaalsContact C-N 3.31Å; A215-S217 PolarHBondContact O-N 3.25Å; S217-G221 CarbonylContact O-C 3.5Å; S217-G221 WeakPolarHBondContact O-CA 3.49Å; S217-G221 PolarHBondContact O-N 3.06Å; S217-D222 VanDerWaalsContact CA-O 3.27Å; S217-D222 WeakPolarHBondContact CA-O 3.45Å; S217-D222 WeakPolarHBondContact CB-O 3.41Å; S217-D222 PolarHBondContact O-N 2.8Å; S217-D222 PolarHBondContact OG-O 3.29Å; S217-E226 PolarHBondContact OG-N 3.35Å |
| 218 | R | 95.1 | Very high | 97.3 | Very high | 37 Ų | 37 | 20.9 Ų | 20.9 | 14% | 0.14 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.1 | -46.3 | 177.4 | -59.9 | -45.5 | 161.5 | 145.3 | -13.5 | 112.6 | A214 A215 E226 L477 A480 N482 | A214-R218 WeakPolarHBondContact O-CG 3.44Å; A214-R218 PolarHBondContact O-N 3.43Å; A215-R218 PolarHBondContact O-N 2.94Å; A215-R218 VanDerWaalsContact O-N 3.12Å; R218-E226 IonicContact CZ-OE2 3.33Å; R218-E226 IonicContact NE-OE2 2.7Å; R218-E226 PolarHBondContact NE-OE2 3.38Å; R218-E226 IonicContact NH2-OE1 2.82Å; R218-E226 PolarHBondContact NH2-OE1 3.04Å; R218-E226 IonicContact NH2-OE2 3.34Å; R218-E226 PolarHBondContact NH2-OE2 3.23Å; R218-L477 HydrophobicContact CB-CB 4.43Å; R218-L477 HydrophobicContact CB-CD2 3.79Å; R218-L477 HydrophobicContact CG-CB 4.28Å; R218-A480 HydrophobicContact CB-CB 4.09Å; R218-A480 HydrophobicContact CG-CB 4.3Å; R218-A480 PolarHBondContact NH1-O 2.85Å; R218-N482 PolarHBondContact NH1-OD1 3.34Å; R218-N482 PolarHBondContact NH2-OD1 3.07Å |
| 219 | F | 95.7 | Very high | 97.3 | Very high | 53 Ų | 53 | 21 Ų | 21 | 23% | 0.232 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68 | -38 | 179.2 | -72.5 | -61.8 | 0 | 0 | 0 | 112.7 | L133 H136 S137 L157 A215 P474 L477 | L133-F219 HydrophobicContact CD2-CD2 3.94Å; L133-F219 HydrophobicContact CD2-CE2 4.38Å; H136-F219 AromaticContact CD2-CD1 3.89Å; H136-F219 AromaticContact CD2-CG 3.94Å; H136-F219 AromaticContact NE2-CD1 3.59Å; H136-F219 AromaticContact NE2-CE1 3.98Å; H136-F219 AromaticContact NE2-CG 3.95Å; S137-F219 WeakPolarHBondContact OG-CZ 3.18Å; L157-F219 HydrophobicContact CD1-CB 3.48Å; L157-F219 VanDerWaalsContact CD1-CB 3.48Å; L157-F219 HydrophobicContact CD1-CG 4.25Å; L157-F219 HydrophobicContact CD2-CB 3.88Å; L157-F219 HydrophobicContact CG-CB 4.34Å; A215-F219 HydrophobicContact CB-CD2 4.34Å; A215-F219 HydrophobicContact CB-CE2 4.23Å; A215-F219 WeakPolarHBondContact O-CD2 3.38Å; A215-F219 PolarHBondContact O-N 2.86Å; F219-P474 HydrophobicContact CZ-CG 4.04Å; F219-L477 HydrophobicContact CD1-CD2 4.1Å; F219-L477 HydrophobicContact CD2-CD2 4.4Å; F219-L477 HydrophobicContact CE1-CD2 3.8Å; F219-L477 HydrophobicContact CE2-CD1 3.87Å; F219-L477 HydrophobicContact CE2-CD2 4.13Å; F219-L477 HydrophobicContact CG-CD2 4.38Å; F219-L477 HydrophobicContact CZ-CD1 3.96Å; F219-L477 HydrophobicContact CZ-CD2 3.81Å; F219-L477 HydrophobicContact CZ-CG 4.36Å |
| 220 | T | 96.4 | Very high | 97.3 | Very high | 36 Ų | 36 | 23.3 Ų | 23.3 | 22% | 0.221 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -92.9 | -9.4 | -177.3 | 68.3 | 0 | 0 | 0 | 0 | 114.7 | L157 K161 L216 D222 | L157-T220 HydrophobicContact CD1-CG2 3.73Å; L157-T220 HydrophobicContact CD2-CG2 4.24Å; L157-T220 HydrophobicContact CG-CG2 3.97Å; K161-T220 HydrophobicContact CB-CG2 4.17Å; K161-T220 HydrophobicContact CD-CG2 3.9Å; K161-T220 HydrophobicContact CG-CG2 4.33Å; L216-T220 HydrophobicContact CD1-CG2 3.7Å; L216-T220 HydrophobicContact CG-CG2 4.34Å; L216-T220 WeakPolarHBondContact O-CB 3.33Å; L216-T220 VanDerWaalsContact O-CG2 3.29Å; L216-T220 WeakPolarHBondContact O-CG2 3.39Å; L216-T220 PolarHBondContact O-N 3.12Å; L216-T220 PolarHBondContact O-OG1 3.33Å; T220-D222 PolarHBondContact O-N 3.45Å; T220-D222 WeakPolarHBondContact OG1-CB 3.34Å |
| 221 | G | 94.6 | Very high | 97.3 | Very high | 58 Ų | 58 | 29 Ų | 29 | 60% | 0.598 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 13.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S217 | S217-G221 CarbonylContact O-C 3.5Å; S217-G221 WeakPolarHBondContact O-CA 3.49Å; S217-G221 PolarHBondContact O-N 3.06Å |
| 222 | D | 95.8 | Very high | 97.2 | Very high | 48 Ų | 48 | 29 Ų | 29 | 26% | 0.257 | 16% | 0.155 | S | C | . | . | trans | -112.4 | 102.9 | -171.5 | -164.3 | -20.1 | 0 | 0 | 0 | 110.8 | K161 S217 T220 V224 F225 | K161-D222 WeakPolarHBondContact CE-OD2 3.39Å; K161-D222 VanDerWaalsContact NZ-CB 3.31Å; K161-D222 IonicContact NZ-OD2 3.26Å; K161-D222 PolarHBondContact NZ-OD2 3.39Å; S217-D222 VanDerWaalsContact CA-O 3.27Å; S217-D222 WeakPolarHBondContact CA-O 3.45Å; S217-D222 WeakPolarHBondContact CB-O 3.41Å; S217-D222 PolarHBondContact O-N 2.8Å; S217-D222 PolarHBondContact OG-O 3.29Å; T220-D222 PolarHBondContact O-N 3.45Å; T220-D222 WeakPolarHBondContact OG1-CB 3.34Å; D222-V224 PolarHBondContact O-N 3.29Å; D222-V224 VanDerWaalsContact O-N 3.11Å; D222-V224 VanDerWaalsContact OD1-CG1 3.29Å; D222-V224 WeakPolarHBondContact OD1-CG1 3.31Å; D222-F225 HydrophobicContact CB-CE2 4.17Å | ||
| 223 | P | 96.1 | Very high | 97.2 | Very high | 41 Ų | 41 | 29.1 Ų | 29.1 | 27% | 0.266 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9.1 | -170.6 | 29.9 | -36.3 | 0 | 0 | 0 | 113.9 | F225 E226 D227 A483 | P223-F225 PolarHBondContact O-N 3.42Å; P223-F225 VanDerWaalsContact O-N 3.1Å; P223-E226 PolarHBondContact O-N 3Å; P223-D227 WeakPolarHBondContact O-CB 3.26Å; P223-D227 PolarHBondContact O-N 3.1Å; P223-A483 HydrophobicContact CG-CB 4.31Å |
| 224 | V | 97.6 | Very high | 97.2 | Very high | 42 Ų | 42 | 31.4 Ų | 31.4 | 26% | 0.255 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.4 | -32.9 | -172.7 | 71.4 | 0 | 0 | 0 | 0 | 113.3 | L168 D222 H228 | L168-V224 HydrophobicContact CD1-CG1 4.02Å; L168-V224 HydrophobicContact CD1-CG2 3.97Å; D222-V224 PolarHBondContact O-N 3.29Å; D222-V224 VanDerWaalsContact O-N 3.11Å; D222-V224 VanDerWaalsContact OD1-CG1 3.29Å; D222-V224 WeakPolarHBondContact OD1-CG1 3.31Å; V224-H228 PolarHBondContact O-N 3.33Å; V224-H228 PolarHBondContact O-ND1 3.02Å |
| 225 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.6 | -56.2 | -179.7 | -47.8 | -73.1 | 0 | 0 | 0 | 110.5 | K161 L165 L168 F213 L216 D222 P223 D227 H228 A229 | K161-F225 HydrophobicContact CG-CE2 4.45Å; K161-F225 HydrophobicContact CG-CZ 4.14Å; L165-F225 HydrophobicContact CD2-CE1 4.1Å; L165-F225 HydrophobicContact CD2-CZ 3.97Å; L165-F225 HydrophobicContact CG-CE1 4.26Å; L165-F225 HydrophobicContact CG-CZ 4.09Å; L168-F225 HydrophobicContact CD1-CD1 4.07Å; L168-F225 HydrophobicContact CD1-CE1 3.78Å; L168-F225 HydrophobicContact CD2-CD1 4.01Å; L168-F225 HydrophobicContact CG-CD1 4Å; L168-F225 HydrophobicContact CG-CE1 4.04Å; F213-F225 HydrophobicContact CB-CB 3.8Å; F213-F225 HydrophobicContact CD2-CB 3.83Å; F213-F225 WeakPolarHBondContact CD2-O 3.35Å; F213-F225 HydrophobicContact CG-CB 3.94Å; F213-F225 WeakPolarHBondContact O-CB 3.36Å; L216-F225 HydrophobicContact CB-CD2 4.38Å; L216-F225 HydrophobicContact CD2-CB 4.43Å; L216-F225 HydrophobicContact CD2-CD1 3.81Å; L216-F225 HydrophobicContact CD2-CD2 3.63Å; L216-F225 HydrophobicContact CD2-CE1 3.91Å; L216-F225 HydrophobicContact CD2-CE2 3.73Å; L216-F225 HydrophobicContact CD2-CG 3.68Å; L216-F225 HydrophobicContact CD2-CZ 3.87Å; L216-F225 HydrophobicContact CG-CD2 3.75Å; L216-F225 HydrophobicContact CG-CE2 3.89Å; L216-F225 HydrophobicContact CG-CG 4.22Å; L216-F225 HydrophobicContact CG-CZ 4.49Å; D222-F225 HydrophobicContact CB-CE2 4.17Å; P223-F225 PolarHBondContact O-N 3.42Å; P223-F225 VanDerWaalsContact O-N 3.1Å; F225-D227 PolarHBondContact O-N 3.35Å; F225-H228 PolarHBondContact O-N 3.13Å; F225-A229 PolarHBondContact O-N 2.83Å; F225-A229 VanDerWaalsContact O-N 3.14Å |
| 226 | E | 97.1 | Very high | 97.2 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.6 | -43 | 176.3 | -164.6 | 179.5 | 139.8 | 0 | 0 | 111.8 | I210 A214 S217 R218 P223 H228 A229 R230 | I210-E226 HydrophobicContact CD1-CG 3.94Å; A214-E226 HydrophobicContact CB-CB 4.38Å; A214-E226 HydrophobicContact CB-CG 3.87Å; S217-E226 PolarHBondContact OG-N 3.35Å; R218-E226 IonicContact CZ-OE2 3.33Å; R218-E226 IonicContact NE-OE2 2.7Å; R218-E226 PolarHBondContact NE-OE2 3.38Å; R218-E226 IonicContact NH2-OE1 2.82Å; R218-E226 PolarHBondContact NH2-OE1 3.04Å; R218-E226 IonicContact NH2-OE2 3.34Å; R218-E226 PolarHBondContact NH2-OE2 3.23Å; P223-E226 PolarHBondContact O-N 3Å; E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.25Å; E226-A229 PolarHBondContact O-N 3.14Å; E226-R230 WeakPolarHBondContact O-CB 3.49Å; E226-R230 PolarHBondContact O-N 2.54Å; E226-R230 IonicContact OE1-CZ 3.57Å; E226-R230 IonicContact OE1-NE 3.81Å; E226-R230 PolarHBondContact OE1-NE 3.33Å; E226-R230 IonicContact OE1-NH2 3.47Å; E226-R230 PolarHBondContact OE1-NH2 2.9Å |
| 227 | D | 97.6 | Very high | 97.2 | Very high | 63 Ų | 63 | 34.5 Ų | 34.5 | 34% | 0.337 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.5 | -26.4 | 179.1 | -76.1 | -20.2 | 0 | 0 | 0 | 113.5 | P223 F225 R231 | P223-D227 WeakPolarHBondContact O-CB 3.26Å; P223-D227 PolarHBondContact O-N 3.1Å; F225-D227 PolarHBondContact O-N 3.35Å; D227-R231 WeakPolarHBondContact O-CG 3.4Å; D227-R231 PolarHBondContact O-NE 2.88Å; D227-R231 PolarHBondContact O-NH2 3.43Å |
| 228 | H | 98.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 41.2 Ų | 41.2 | 20% | 0.204 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -82 | -48.1 | 173.6 | -77 | 84.4 | 0 | 0 | 0 | 111.8 | L168 F171 V224 F225 E226 R230 R231 A232 | L168-H228 HydrophobicContact CD2-CB 4.14Å; F171-H228 HydrophobicContact CB-CB 4.42Å; F171-H228 HydrophobicContact CD1-CB 3.95Å; F171-H228 HydrophobicContact CD2-CB 4.47Å; F171-H228 HydrophobicContact CE1-CB 4.29Å; F171-H228 HydrophobicContact CG-CB 4.04Å; V224-H228 PolarHBondContact O-N 3.33Å; V224-H228 PolarHBondContact O-ND1 3.02Å; F225-H228 PolarHBondContact O-N 3.13Å; E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.25Å; H228-R230 VanDerWaalsContact C-N 3.35Å; H228-R230 PolarHBondContact O-N 3.38Å; H228-R231 PolarHBondContact CD2-NH2 3.44Å; H228-R231 PolarHBondContact CE1-NH2 3.13Å; H228-R231 PolarHBondContact ND1-NH2 3Å; H228-R231 PolarHBondContact NE2-NH2 3.11Å; H228-R231 PolarHBondContact O-N 3.47Å; H228-A232 PolarHBondContact O-N 3.34Å; H228-A232 VanDerWaalsContact O-N 3.16Å |
| 229 | A | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M209 I210 F213 F225 E226 A232 L233 | M209-A229 HydrophobicContact CB-CB 3.95Å; I210-A229 HydrophobicContact CB-CB 4.25Å; I210-A229 HydrophobicContact CD1-CB 3.89Å; F213-A229 HydrophobicContact CB-CB 3.88Å; F213-A229 HydrophobicContact CD2-CB 4.13Å; F213-A229 HydrophobicContact CG-CB 4.25Å; F225-A229 PolarHBondContact O-N 2.83Å; F225-A229 VanDerWaalsContact O-N 3.14Å; E226-A229 PolarHBondContact O-N 3.14Å; A229-A232 PolarHBondContact O-N 2.7Å; A229-L233 PolarHBondContact O-N 2.7Å; A229-L233 VanDerWaalsContact O-N 3.12Å |
| 230 | R | 97.1 | Very high | 97.3 | Very high | 50 Ų | 50 | 43 Ų | 43 | 19% | 0.189 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.6 | -175.8 | 177 | -74.7 | -88.4 | 7.8 | 111.8 | I210 E226 H228 A232 L233 D234 D285 | I210-R230 HydrophobicContact CD1-CB 4.3Å; E226-R230 WeakPolarHBondContact O-CB 3.49Å; E226-R230 PolarHBondContact O-N 2.54Å; E226-R230 IonicContact OE1-CZ 3.57Å; E226-R230 IonicContact OE1-NE 3.81Å; E226-R230 PolarHBondContact OE1-NE 3.33Å; E226-R230 IonicContact OE1-NH2 3.47Å; E226-R230 PolarHBondContact OE1-NH2 2.9Å; H228-R230 VanDerWaalsContact C-N 3.35Å; H228-R230 PolarHBondContact O-N 3.38Å; R230-A232 VanDerWaalsContact C-N 3.34Å; R230-A232 PolarHBondContact O-N 3.04Å; R230-L233 PolarHBondContact O-N 3.03Å; R230-D234 PolarHBondContact O-N 3.26Å; R230-D285 IonicContact CZ-OD2 2.75Å; R230-D285 IonicContact NH1-OD2 3.34Å; R230-D285 PolarHBondContact NH1-OD2 3.35Å; R230-D285 IonicContact NH2-OD2 2.73Å; R230-D285 PolarHBondContact NH2-OD2 3.04Å |
| 231 | R | 97.9 | Very high | 97.2 | Very high | 122 Ų | 122 | 43.5 Ų | 43.5 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.9 | -36.9 | 175.6 | -81.7 | -178.6 | -71.3 | 148.8 | 4.4 | 112.9 | D227 H228 D234 F235 | D227-R231 WeakPolarHBondContact O-CG 3.4Å; D227-R231 PolarHBondContact O-NE 2.88Å; D227-R231 PolarHBondContact O-NH2 3.43Å; H228-R231 PolarHBondContact CD2-NH2 3.44Å; H228-R231 PolarHBondContact CE1-NH2 3.13Å; H228-R231 PolarHBondContact ND1-NH2 3Å; H228-R231 PolarHBondContact NE2-NH2 3.11Å; H228-R231 PolarHBondContact O-N 3.47Å; R231-D234 PolarHBondContact O-N 3.42Å; R231-F235 PolarHBondContact O-N 2.86Å |
| 232 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F171 L177 H228 A229 R230 F235 L236 | F171-A232 HydrophobicContact CE1-CB 4.26Å; L177-A232 HydrophobicContact CD2-CB 4.1Å; L177-A232 WeakPolarHBondContact CD2-O 3.42Å; H228-A232 PolarHBondContact O-N 3.34Å; H228-A232 VanDerWaalsContact O-N 3.16Å; A229-A232 PolarHBondContact O-N 2.7Å; R230-A232 VanDerWaalsContact C-N 3.34Å; R230-A232 PolarHBondContact O-N 3.04Å; A232-F235 PolarHBondContact O-N 2.91Å; A232-L236 WeakPolarHBondContact O-CG 3.49Å; A232-L236 PolarHBondContact O-N 2.53Å |
| 233 | L | 97.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 174.5 | -75.3 | 175.8 | 0 | 0 | 0 | 113.5 | I210 A229 R230 W237 Y272 L276 F288 | I210-L233 HydrophobicContact CB-CD1 3.63Å; I210-L233 HydrophobicContact CG1-CD1 4.01Å; I210-L233 HydrophobicContact CG2-CD1 3.57Å; A229-L233 PolarHBondContact O-N 2.7Å; A229-L233 VanDerWaalsContact O-N 3.12Å; R230-L233 PolarHBondContact O-N 3.03Å; L233-W237 VanDerWaalsContact O-CB 3.27Å; L233-W237 WeakPolarHBondContact O-CB 3.38Å; L233-W237 PolarHBondContact O-N 3.11Å; L233-Y272 HydrophobicContact CD2-CD2 3.59Å; L233-Y272 HydrophobicContact CD2-CE2 3.55Å; L233-L276 HydrophobicContact CD2-CD2 4.36Å; L233-F288 HydrophobicContact CD1-CD1 4.46Å; L233-F288 HydrophobicContact CD1-CE1 3.79Å |
| 234 | D | 97.7 | Very high | 96.8 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 173.7 | -68.1 | -29.3 | 0 | 0 | 0 | 111.3 | R230 R231 W237 E238 R291 | R230-D234 PolarHBondContact O-N 3.26Å; R231-D234 PolarHBondContact O-N 3.42Å; D234-W237 WeakPolarHBondContact O-CB 3.47Å; D234-W237 PolarHBondContact O-N 2.8Å; D234-E238 PolarHBondContact O-N 3.4Å; D234-R291 IonicContact OD1-CZ 3.63Å; D234-R291 IonicContact OD1-NH1 2.8Å; D234-R291 PolarHBondContact OD1-NH1 3.27Å; D234-R291 IonicContact OD1-NH2 2.65Å; D234-R291 PolarHBondContact OD1-NH2 3.17Å |
| 235 | F | 98.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -45.9 | 177.5 | -169.4 | -88.2 | 0 | 0 | 0 | 112.2 | S175 L177 R231 A232 W237 E238 K239 I251 | S175-F235 VanDerWaalsContact CB-CE1 3.44Å; L177-F235 HydrophobicContact CD1-CD1 3.72Å; L177-F235 HydrophobicContact CD1-CE1 3.82Å; L177-F235 HydrophobicContact CD2-CB 4.26Å; L177-F235 HydrophobicContact CD2-CD1 3.93Å; L177-F235 HydrophobicContact CD2-CG 4.49Å; L177-F235 HydrophobicContact CG-CD1 3.75Å; L177-F235 HydrophobicContact CG-CE1 4.19Å; L177-F235 HydrophobicContact CG-CG 4.48Å; R231-F235 PolarHBondContact O-N 2.86Å; A232-F235 PolarHBondContact O-N 2.91Å; F235-W237 VanDerWaalsContact C-N 3.27Å; F235-W237 PolarHBondContact O-N 2.93Å; F235-E238 PolarHBondContact O-N 3.09Å; F235-K239 HydrophobicContact CD1-CG 3.95Å; F235-K239 HydrophobicContact CE1-CD 4.32Å; F235-K239 HydrophobicContact CE1-CG 3.77Å; F235-K239 HydrophobicContact CZ-CD 4.42Å; F235-K239 HydrophobicContact CZ-CG 4.33Å; F235-K239 VanDerWaalsContact O-CG 3.3Å; F235-K239 WeakPolarHBondContact O-CG 3.29Å; F235-K239 PolarHBondContact O-N 3.3Å; F235-K239 VanDerWaalsContact O-N 3.07Å; F235-I251 HydrophobicContact CE1-CD1 4.36Å |
| 236 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -42.2 | 174.3 | -72.3 | 175.7 | 0 | 0 | 0 | 111.6 | L177 A206 A232 K239 R240 I251 W258 Y272 | L177-L236 HydrophobicContact CD1-CD2 4.36Å; L177-L236 HydrophobicContact CD2-CD1 4.5Å; L177-L236 HydrophobicContact CD2-CD2 3.96Å; L177-L236 HydrophobicContact CD2-CG 3.77Å; A206-L236 HydrophobicContact CB-CD1 4.15Å; A232-L236 WeakPolarHBondContact O-CG 3.49Å; A232-L236 PolarHBondContact O-N 2.53Å; L236-K239 PolarHBondContact O-N 3.19Å; L236-R240 PolarHBondContact O-N 3.4Å; L236-I251 HydrophobicContact CD2-CD1 4.32Å; L236-I251 HydrophobicContact CD2-CG2 4.2Å; L236-W258 HydrophobicContact CD2-CH2 4.37Å; L236-Y272 HydrophobicContact CB-CE2 3.9Å; L236-Y272 HydrophobicContact CD1-CD2 3.83Å; L236-Y272 HydrophobicContact CD1-CE2 3.84Å |
| 237 | W | 97.6 | Very high | 96.8 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 11% | 0.106 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 175.4 | 172.6 | -114.7 | 0 | 0 | 0 | 112.2 | L233 D234 F235 K239 R240 R291 I294 H295 | L233-W237 VanDerWaalsContact O-CB 3.27Å; L233-W237 WeakPolarHBondContact O-CB 3.38Å; L233-W237 PolarHBondContact O-N 3.11Å; D234-W237 WeakPolarHBondContact O-CB 3.47Å; D234-W237 PolarHBondContact O-N 2.8Å; F235-W237 VanDerWaalsContact C-N 3.27Å; F235-W237 PolarHBondContact O-N 2.93Å; W237-K239 VanDerWaalsContact C-N 3.28Å; W237-K239 PolarHBondContact O-N 2.75Å; W237-R240 VanDerWaalsContact CE2-CZ 3.42Å; W237-R240 VanDerWaalsContact O-CD 3.31Å; W237-R240 WeakPolarHBondContact O-CD 3.06Å; W237-R240 WeakPolarHBondContact O-CG 3.39Å; W237-R240 PolarHBondContact O-N 2.96Å; W237-R240 PolarHBondContact O-NH1 3.31Å; W237-R291 HydrophobicContact CD2-CB 4.36Å; W237-R291 HydrophobicContact CD2-CG 3.59Å; W237-R291 HydrophobicContact CE3-CB 3.9Å; W237-R291 HydrophobicContact CE3-CG 3.65Å; W237-R291 HydrophobicContact CG-CG 4.15Å; W237-R291 HydrophobicContact CH2-CB 4.27Å; W237-R291 HydrophobicContact CH2-CG 4Å; W237-R291 HydrophobicContact CZ2-CG 3.94Å; W237-R291 HydrophobicContact CZ3-CB 3.86Å; W237-R291 HydrophobicContact CZ3-CG 3.87Å; W237-I294 HydrophobicContact CH2-CB 3.91Å; W237-I294 HydrophobicContact CH2-CD1 3.74Å; W237-I294 HydrophobicContact CH2-CG1 4.42Å; W237-I294 HydrophobicContact CH2-CG2 3.8Å; W237-I294 HydrophobicContact CZ2-CD1 4.22Å; W237-I294 HydrophobicContact CZ3-CB 4.37Å; W237-I294 HydrophobicContact CZ3-CG2 4.22Å; W237-H295 AromaticContact CE3-NE2 3.46Å; W237-H295 AromaticContact CZ3-CD2 3.96Å; W237-H295 AromaticContact CZ3-NE2 3.58Å |
| 238 | E | 97 | Very high | 96.7 | Very high | 148 Ų | 148 | 50.3 Ų | 50.3 | 69% | 0.692 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61.7 | -33.4 | 177.3 | -75.6 | -168.8 | 172.4 | 0 | 0 | 113.4 | D234 F235 R240 | D234-E238 PolarHBondContact O-N 3.4Å; F235-E238 PolarHBondContact O-N 3.09Å; E238-R240 VanDerWaalsContact C-N 3.35Å; E238-R240 PolarHBondContact O-N 3.48Å |
| 239 | K | 97 | Very high | 96.6 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 27% | 0.274 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -80 | -8.5 | -177.4 | -64.3 | -60.5 | -168 | 144.3 | 0 | 114.6 | F235 L236 W237 I251 S255 G256 W258 | F235-K239 HydrophobicContact CD1-CG 3.95Å; F235-K239 HydrophobicContact CE1-CD 4.32Å; F235-K239 HydrophobicContact CE1-CG 3.77Å; F235-K239 HydrophobicContact CZ-CD 4.42Å; F235-K239 HydrophobicContact CZ-CG 4.33Å; F235-K239 VanDerWaalsContact O-CG 3.3Å; F235-K239 WeakPolarHBondContact O-CG 3.29Å; F235-K239 PolarHBondContact O-N 3.3Å; F235-K239 VanDerWaalsContact O-N 3.07Å; L236-K239 PolarHBondContact O-N 3.19Å; W237-K239 VanDerWaalsContact C-N 3.28Å; W237-K239 PolarHBondContact O-N 2.75Å; K239-I251 HydrophobicContact CB-CD1 4.06Å; K239-I251 HydrophobicContact CG-CD1 4.05Å; K239-S255 PolarHBondContact NZ-O 2.6Å; K239-G256 VanDerWaalsContact CD-O 3.23Å; K239-G256 WeakPolarHBondContact CD-O 3.2Å; K239-G256 VanDerWaalsContact CE-O 3.26Å; K239-G256 WeakPolarHBondContact CE-O 3.46Å; K239-G256 PolarHBondContact NZ-O 2.92Å; K239-W258 HydrophobicContact CB-CZ2 3.92Å; K239-W258 PolarHBondContact O-NE1 2.87Å |
| 240 | R | 96.3 | Very high | 96.5 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -54.5 | 144.2 | 176.5 | 79.5 | -168.5 | -177.1 | -84.4 | 8 | 112.3 | L236 W237 E238 R242 N245 V247 | L236-R240 PolarHBondContact O-N 3.4Å; W237-R240 VanDerWaalsContact CE2-CZ 3.42Å; W237-R240 VanDerWaalsContact O-CD 3.31Å; W237-R240 WeakPolarHBondContact O-CD 3.06Å; W237-R240 WeakPolarHBondContact O-CG 3.39Å; W237-R240 PolarHBondContact O-N 2.96Å; W237-R240 PolarHBondContact O-NH1 3.31Å; E238-R240 VanDerWaalsContact C-N 3.35Å; E238-R240 PolarHBondContact O-N 3.48Å; R240-R242 PolarHBondContact O-N 3.01Å; R240-N245 PolarHBondContact NE-OD1 2.95Å; R240-N245 VanDerWaalsContact NE-OD1 3.1Å; R240-V247 HydrophobicContact CB-CG1 3.89Å |
| 241 | Q | 95.9 | Very high | 96.5 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 114.2 | -176 | 174.5 | 56 | -10.3 | 0 | 0 | 111.6 | N243 S244 N245 L246 I314 H315 | Q241-N243 VanDerWaalsContact C-N 3.25Å; Q241-N243 PolarHBondContact O-N 3.04Å; Q241-S244 WeakPolarHBondContact CG-OG 3.03Å; Q241-S244 PolarHBondContact O-N 3.03Å; Q241-S244 PolarHBondContact O-OG 2.79Å; Q241-N245 WeakPolarHBondContact O-CA 3.37Å; Q241-N245 PolarHBondContact O-N 3.12Å; Q241-L246 PolarHBondContact N-O 3.17Å; Q241-I314 HydrophobicContact CB-CB 4.08Å; Q241-I314 HydrophobicContact CB-CG1 4.31Å; Q241-I314 HydrophobicContact CG-CB 4.46Å; Q241-I314 WeakPolarHBondContact CG-O 3.28Å; Q241-H315 PolarHBondContact NE2-CD2 2.67Å |
| 242 | R | 91.8 | Very high | 96.5 | Very high | 222 Ų | 222 | 42.9 Ų | 42.9 | 84% | 0.838 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.8 | -165.4 | -65.3 | -176.7 | 178.9 | -177.4 | -0.9 | 116.3 | R240 | R240-R242 PolarHBondContact O-N 3.01Š|
| 243 | N | 91.4 | Very high | 96.5 | Very high | 138 Ų | 138 | 42.9 Ų | 42.9 | 74% | 0.738 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -16.3 | -177.7 | -65.6 | -4 | 0 | 0 | 0 | 113.8 | Q241 | Q241-N243 VanDerWaalsContact C-N 3.25Å; Q241-N243 PolarHBondContact O-N 3.04Å |
| 244 | S | 94.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -14.7 | -172.8 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | Q241 L246 S298 I314 | Q241-S244 WeakPolarHBondContact CG-OG 3.03Å; Q241-S244 PolarHBondContact O-N 3.03Å; Q241-S244 PolarHBondContact O-OG 2.79Å; S244-L246 PolarHBondContact O-N 2.87Å; S244-L246 VanDerWaalsContact O-N 3.09Å; S244-S298 WeakPolarHBondContact O-CB 3.48Å; S244-S298 PolarHBondContact O-OG 2.88Å; S244-I314 PolarHBondContact OG-O 3.43Å |
| 245 | N | 97.1 | Very high | 96.3 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 21.9 | -166.9 | -56.2 | -70.4 | 0 | 0 | 0 | 114.2 | R240 Q241 I294 H295 | R240-N245 PolarHBondContact NE-OD1 2.95Å; R240-N245 VanDerWaalsContact NE-OD1 3.1Å; Q241-N245 WeakPolarHBondContact O-CA 3.37Å; Q241-N245 PolarHBondContact O-N 3.12Å; N245-I294 HydrophobicContact CB-CG2 3.79Å; N245-H295 PolarHBondContact O-CE1 2.85Å; N245-H295 VanDerWaalsContact O-CE1 3.25Å; N245-H295 PolarHBondContact O-ND1 3.44Å |
| 246 | L | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -87.2 | 150.9 | 174.5 | -62.9 | -178.6 | 0 | 0 | 0 | 110.7 | Q241 S244 Y302 I303 V312 I314 P317 | Q241-L246 PolarHBondContact N-O 3.17Å; S244-L246 PolarHBondContact O-N 2.87Å; S244-L246 VanDerWaalsContact O-N 3.09Å; L246-Y302 HydrophobicContact CD1-CD2 4.23Å; L246-Y302 HydrophobicContact CG-CD2 4.45Å; L246-I303 HydrophobicContact CD2-CD1 3.91Å; L246-V312 HydrophobicContact CD1-CG2 3.62Å; L246-I314 HydrophobicContact CB-CB 4.19Å; L246-I314 HydrophobicContact CB-CG2 3.81Å; L246-P317 HydrophobicContact CD1-CB 3.96Å |
| 247 | V | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -112.9 | 148.7 | 175.3 | -72.5 | 0 | 0 | 0 | 0 | 108.8 | T203 R240 W258 S263 I269 Y272 Y273 I314 | T203-V247 HydrophobicContact CG2-CB 4.4Å; T203-V247 HydrophobicContact CG2-CG2 4.01Å; R240-V247 HydrophobicContact CB-CG1 3.89Å; V247-W258 HydrophobicContact CB-CH2 3.61Å; V247-W258 HydrophobicContact CB-CZ2 3.82Å; V247-W258 HydrophobicContact CB-CZ3 4.4Å; V247-W258 HydrophobicContact CG1-CH2 3.96Å; V247-W258 HydrophobicContact CG1-CZ2 3.84Å; V247-S263 WeakPolarHBondContact O-CB 3.48Å; V247-S263 PolarHBondContact O-OG 3.41Å; V247-I269 HydrophobicContact CG2-CG2 3.91Å; V247-Y272 HydrophobicContact CG1-CE1 4.43Å; V247-Y272 HydrophobicContact CG2-CD1 4.26Å; V247-Y272 HydrophobicContact CG2-CE1 3.99Å; V247-Y273 HydrophobicContact CG2-CE1 4.13Å; V247-Y273 WeakPolarHBondContact CG2-OH 3.47Å; V247-I314 WeakPolarHBondContact O-CG2 3.42Å | ||
| 248 | G | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -78.1 | 173.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T203 W258 R260 D262 | T203-G248 PolarHBondContact OG1-O 3.38Å; G248-W258 VanDerWaalsContact N-CE3 3.26Å; G248-W258 VanDerWaalsContact N-CZ3 3.26Å; G248-W258 WeakPolarHBondContact O-CZ3 3.35Å; G248-R260 WeakPolarHBondContact CA-O 3.2Å; G248-D262 CarbonylContact C-O 3.55Å; G248-D262 VanDerWaalsContact CA-O 3.32Å; G248-D262 WeakPolarHBondContact CA-O 3.29Å | ||
| 249 | T | 95.4 | Very high | 96 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -76.5 | -30.2 | 174.1 | -49 | 0 | 0 | 0 | 0 | 113.3 | C202 T203 R260 D262 I269 | C202-T249 VanDerWaalsContact CA-O 3.29Å; C202-T249 WeakPolarHBondContact CA-O 3.09Å; T203-T249 PolarHBondContact N-O 2.97Å; T203-T249 VanDerWaalsContact N-O 3.12Å; T249-R260 PolarHBondContact N-O 3.02Å; T249-D262 PolarHBondContact N-O 3.36Å; T249-D262 VanDerWaalsContact N-O 3.15Å; T249-D262 PolarHBondContact OG1-O 3.07Å; T249-I269 HydrophobicContact CG2-CG1 4.41Å |
| 250 | T | 96.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 51 Ų | 51 | 14% | 0.135 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 131.4 | -174.9 | -47.2 | 0 | 0 | 0 | 0 | 111.2 | D200 T201 V259 R260 | D200-T250 HydrophobicContact CB-CG2 4.08Å; T201-T250 WeakPolarHBondContact O-CA 3.23Å; T201-T250 WeakPolarHBondContact O-CG2 3.49Å; T250-V259 HydrophobicContact CG2-CB 4.42Å; T250-V259 PolarHBondContact O-N 2.81Å; T250-R260 PolarHBondContact O-N 3.13Å; T250-R260 WeakPolarHBondContact OG1-CD 3.48Å; T250-R260 WeakPolarHBondContact OG1-CG 3.14Å |
| 251 | I | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.5 | -176.6 | -169.7 | 166.1 | 0 | 0 | 0 | 111 | L177 D200 T201 F235 L236 K239 E257 W258 | L177-I251 HydrophobicContact CD1-CD1 4.1Å; L177-I251 HydrophobicContact CD1-CG1 4.34Å; L177-I251 HydrophobicContact CD1-CG2 3.74Å; D200-I251 WeakPolarHBondContact CA-O 3.26Å; T201-I251 HydrophobicContact CG2-CG2 3.93Å; T201-I251 PolarHBondContact N-O 3.16Å; T201-I251 PolarHBondContact O-N 2.87Å; F235-I251 HydrophobicContact CE1-CD1 4.36Å; L236-I251 HydrophobicContact CD2-CD1 4.32Å; L236-I251 HydrophobicContact CD2-CG2 4.2Å; K239-I251 HydrophobicContact CB-CD1 4.06Å; K239-I251 HydrophobicContact CG-CD1 4.05Å; I251-E257 WeakPolarHBondContact CA-O 3.41Å; I251-W258 HydrophobicContact CB-CE3 3.81Å; I251-W258 HydrophobicContact CB-CH2 4.37Å; I251-W258 HydrophobicContact CB-CZ3 3.67Å; I251-W258 HydrophobicContact CD1-CD2 4.48Å; I251-W258 HydrophobicContact CD1-CE3 4.33Å; I251-W258 HydrophobicContact CD1-CH2 3.95Å; I251-W258 HydrophobicContact CD1-CZ2 4.11Å; I251-W258 HydrophobicContact CD1-CZ3 4.07Å; I251-W258 HydrophobicContact CG1-CE3 4.25Å; I251-W258 HydrophobicContact CG1-CZ3 4.27Å; I251-W258 HydrophobicContact CG2-CZ3 4.37Å |
| 252 | N | 97.8 | Very high | 95.7 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 15% | 0.15 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.1 | 173.5 | -175 | -84.9 | 0 | 0 | 0 | 110.9 | T199 D200 H254 S255 G256 E257 V259 | T199-N252 WeakPolarHBondContact CB-ND2 3.07Å; T199-N252 CarbonylContact O-C 3.53Å; T199-N252 VanDerWaalsContact O-CA 3.28Å; T199-N252 WeakPolarHBondContact O-CA 3.44Å; T199-N252 VanDerWaalsContact O-CG 3.31Å; T199-N252 PolarHBondContact O-ND2 3.4Å; T199-N252 VanDerWaalsContact O-ND2 3.12Å; T199-N252 PolarHBondContact OG1-ND2 3.25Å; D200-N252 PolarHBondContact OD1-ND2 3.49Å; N252-H254 PolarHBondContact O-N 2.93Å; N252-H254 PolarHBondContact OD1-N 2.64Å; N252-H254 VanDerWaalsContact OD1-N 3.08Å; N252-S255 WeakPolarHBondContact CB-OG 3.48Å; N252-S255 PolarHBondContact OD1-N 3.21Å; N252-S255 PolarHBondContact OD1-OG 2.99Å; N252-G256 WeakPolarHBondContact O-CA 3.28Å; N252-G256 PolarHBondContact O-N 3.22Å; N252-E257 PolarHBondContact N-O 2.88Å; N252-V259 HydrophobicContact CB-CG2 4.13Å |
| 253 | I | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -5.9 | -173.6 | 74 | -163.7 | 0 | 0 | 0 | 114.1 | T173 S175 L177 Y179 E198 T199 T201 | T173-I253 HydrophobicContact CG2-CB 4.12Å; T173-I253 HydrophobicContact CG2-CD1 3.75Å; T173-I253 HydrophobicContact CG2-CG1 3.81Å; S175-I253 VanDerWaalsContact CB-O 3.29Å; S175-I253 WeakPolarHBondContact CB-O 3.21Å; S175-I253 PolarHBondContact N-O 3.01Å; S175-I253 PolarHBondContact OG-O 3.23Å; L177-I253 HydrophobicContact CB-CB 4.34Å; L177-I253 HydrophobicContact CB-CG2 4.21Å; Y179-I253 HydrophobicContact CD1-CD1 3.33Å; Y179-I253 HydrophobicContact CE1-CD1 3.57Å; Y179-I253 HydrophobicContact CG-CD1 3.91Å; E198-I253 WeakPolarHBondContact O-CD1 3.19Å; T199-I253 WeakPolarHBondContact O-CG1 3.34Å; T199-I253 PolarHBondContact O-N 2.89Å; T201-I253 HydrophobicContact CG2-CG2 3.44Å; T201-I253 VanDerWaalsContact CG2-CG2 3.44Å |
| 254 | H | 95.4 | Very high | 96 | Very high | 74 Ų | 74 | 35.5 Ų | 35.5 | 34% | 0.343 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -48.2 | 176.9 | -67.5 | -78.9 | 0 | 0 | 0 | 113 | S174 N252 | S174-H254 PolarHBondContact OG-ND1 3.2Å; N252-H254 PolarHBondContact O-N 2.93Å; N252-H254 PolarHBondContact OD1-N 2.64Å; N252-H254 VanDerWaalsContact OD1-N 3.08Å |
| 255 | S | 96 | Very high | 96.1 | Very high | 58 Ų | 58 | 35.4 Ų | 35.4 | 41% | 0.406 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -26.5 | 176.6 | 67.5 | 0 | 0 | 0 | 0 | 113 | K239 N252 E257 | K239-S255 PolarHBondContact NZ-O 2.6Å; N252-S255 WeakPolarHBondContact CB-OG 3.48Å; N252-S255 PolarHBondContact OD1-N 3.21Å; N252-S255 PolarHBondContact OD1-OG 2.99Å; S255-E257 VanDerWaalsContact C-N 3.27Å; S255-E257 PolarHBondContact OG-N 3.04Å; S255-E257 VanDerWaalsContact OG-N 3.14Å |
| 256 | G | 95.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | 62.2 | 34.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K239 N252 | K239-G256 VanDerWaalsContact CD-O 3.23Å; K239-G256 WeakPolarHBondContact CD-O 3.2Å; K239-G256 VanDerWaalsContact CE-O 3.26Å; K239-G256 WeakPolarHBondContact CE-O 3.46Å; K239-G256 PolarHBondContact NZ-O 2.92Å; N252-G256 WeakPolarHBondContact O-CA 3.28Å; N252-G256 PolarHBondContact O-N 3.22Å | ||
| 257 | E | 96.2 | Very high | 95.6 | Very high | 122 Ų | 122 | 35.4 Ų | 35.4 | 57% | 0.57 | 18% | 0.177 | S | C | * | . | trans | -89.9 | 143.7 | 168.6 | -69.1 | -160.2 | 163.2 | 0 | 0 | 111.4 | I251 N252 S255 V259 | I251-E257 WeakPolarHBondContact CA-O 3.41Å; N252-E257 PolarHBondContact N-O 2.88Å; S255-E257 VanDerWaalsContact C-N 3.27Å; S255-E257 PolarHBondContact OG-N 3.04Å; S255-E257 VanDerWaalsContact OG-N 3.14Å; E257-V259 PolarHBondContact O-N 3.37Å | ||
| 258 | W | 96.8 | Very high | 95.3 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 7% | 0.072 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 114.7 | 174.1 | -62.9 | 109.2 | 0 | 0 | 0 | 110.4 | T203 L236 K239 V247 G248 I251 R261 I314 | T203-W258 WeakPolarHBondContact OG1-CZ3 3.43Å; L236-W258 HydrophobicContact CD2-CH2 4.37Å; K239-W258 HydrophobicContact CB-CZ2 3.92Å; K239-W258 PolarHBondContact O-NE1 2.87Å; V247-W258 HydrophobicContact CB-CH2 3.61Å; V247-W258 HydrophobicContact CB-CZ2 3.82Å; V247-W258 HydrophobicContact CB-CZ3 4.4Å; V247-W258 HydrophobicContact CG1-CH2 3.96Å; V247-W258 HydrophobicContact CG1-CZ2 3.84Å; G248-W258 VanDerWaalsContact N-CE3 3.26Å; G248-W258 VanDerWaalsContact N-CZ3 3.26Å; G248-W258 WeakPolarHBondContact O-CZ3 3.35Å; I251-W258 HydrophobicContact CB-CE3 3.81Å; I251-W258 HydrophobicContact CB-CH2 4.37Å; I251-W258 HydrophobicContact CB-CZ3 3.67Å; I251-W258 HydrophobicContact CD1-CD2 4.48Å; I251-W258 HydrophobicContact CD1-CE3 4.33Å; I251-W258 HydrophobicContact CD1-CH2 3.95Å; I251-W258 HydrophobicContact CD1-CZ2 4.11Å; I251-W258 HydrophobicContact CD1-CZ3 4.07Å; I251-W258 HydrophobicContact CG1-CE3 4.25Å; I251-W258 HydrophobicContact CG1-CZ3 4.27Å; I251-W258 HydrophobicContact CG2-CZ3 4.37Å; W258-R261 HydrophobicContact CB-CG 3.89Å; W258-R261 PolarHBondContact O-NE 2.84Å; W258-R261 PolarHBondContact O-NH2 3.12Å; W258-R261 VanDerWaalsContact O-NH2 3.16Å; W258-I314 HydrophobicContact CB-CD1 4.03Å; W258-I314 HydrophobicContact CD2-CD1 4.34Å; W258-I314 HydrophobicContact CG-CD1 3.71Å |
| 259 | V | 95.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 36.1 Ų | 36.1 | 44% | 0.436 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -57.1 | 176.4 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | T250 N252 E257 | T250-V259 HydrophobicContact CG2-CB 4.42Å; T250-V259 PolarHBondContact O-N 2.81Å; N252-V259 HydrophobicContact CB-CG2 4.13Å; E257-V259 PolarHBondContact O-N 3.37Å |
| 260 | R | 93.2 | Very high | 95.4 | Very high | 150 Ų | 150 | 36.5 Ų | 36.5 | 57% | 0.566 | 19% | 0.185 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.4 | 167.7 | -63.3 | -165.9 | -175.5 | -164.7 | 3.7 | 109.4 | G248 T249 T250 D262 | G248-R260 WeakPolarHBondContact CA-O 3.2Å; T249-R260 PolarHBondContact N-O 3.02Å; T250-R260 PolarHBondContact O-N 3.13Å; T250-R260 WeakPolarHBondContact OG1-CD 3.48Å; T250-R260 WeakPolarHBondContact OG1-CG 3.14Å; R260-D262 WeakPolarHBondContact CB-OD1 3.4Å |
| 261 | R | 95.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 35.5 Ų | 35.5 | 44% | 0.438 | 18% | 0.179 | S | C | . | . | trans | -119.5 | 2.2 | -164 | -63 | 176.1 | -177.5 | -177.2 | 0.6 | 113.3 | W258 H313 I314 | W258-R261 HydrophobicContact CB-CG 3.89Å; W258-R261 PolarHBondContact O-NE 2.84Å; W258-R261 PolarHBondContact O-NH2 3.12Å; W258-R261 VanDerWaalsContact O-NH2 3.16Å; R261-H313 WeakPolarHBondContact O-CA 3.37Å; R261-I314 HydrophobicContact CB-CD1 4.34Å; R261-I314 HydrophobicContact CB-CG1 4.38Å; R261-I314 HydrophobicContact CG-CD1 4.44Å; R261-I314 PolarHBondContact O-N 3.39Å | ||
| 262 | D | 94.8 | Very high | 95.4 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 153.1 | 154 | 46.2 | -41.2 | 0 | 0 | 0 | 111 | G248 T249 R260 V312 A321 R322 | G248-D262 CarbonylContact C-O 3.55Å; G248-D262 VanDerWaalsContact CA-O 3.32Å; G248-D262 WeakPolarHBondContact CA-O 3.29Å; T249-D262 PolarHBondContact N-O 3.36Å; T249-D262 VanDerWaalsContact N-O 3.15Å; T249-D262 PolarHBondContact OG1-O 3.07Å; R260-D262 WeakPolarHBondContact CB-OD1 3.4Å; D262-V312 CarbonylContact C-O 3.5Å; D262-A321 HydrophobicContact CB-CB 3.6Å; D262-R322 IonicContact OD2-CZ 2.62Å; D262-R322 IonicContact OD2-NE 3.16Å; D262-R322 PolarHBondContact OD2-NE 3.37Å; D262-R322 IonicContact OD2-NH2 2.68Å; D262-R322 PolarHBondContact OD2-NH2 2.85Å |
| 263 | S | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 124.3 | -174.1 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | V247 D311 V312 I314 | V247-S263 WeakPolarHBondContact O-CB 3.48Å; V247-S263 PolarHBondContact O-OG 3.41Å; S263-D311 CarbonylContact O-C 3.48Å; S263-D311 VanDerWaalsContact O-CA 3.27Å; S263-D311 WeakPolarHBondContact O-CA 3.42Å; S263-V312 PolarHBondContact N-O 3.04Å; S263-V312 PolarHBondContact O-N 3.06Å; S263-I314 VanDerWaalsContact CB-CG2 3.46Å |
| 264 | G | 94.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | -145 | -158.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D311 | G264-D311 WeakPolarHBondContact CA-OD1 3.26Š| ||
| 265 | V | 95.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -109.1 | -8.8 | 167.8 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | D270 I299 I303 L309 L329 F331 F332 | V265-D270 VanDerWaalsContact O-CA 3.27Å; V265-D270 WeakPolarHBondContact O-CA 3.4Å; V265-D270 WeakPolarHBondContact O-CB 3.48Å; V265-D270 PolarHBondContact O-N 2.87Å; V265-I299 HydrophobicContact CG1-CD1 4.18Å; V265-I299 HydrophobicContact CG1-CG1 4.34Å; V265-I299 HydrophobicContact CG1-CG2 3.54Å; V265-I303 HydrophobicContact CG1-CG2 4.46Å; V265-L309 HydrophobicContact CG2-CB 4.03Å; V265-L309 HydrophobicContact CG2-CD1 3.64Å; V265-L309 HydrophobicContact CG2-CG 4.46Å; V265-L329 HydrophobicContact CG2-CB 3.88Å; V265-F331 WeakPolarHBondContact O-CE1 3.4Å; V265-F332 HydrophobicContact CB-CD2 3.98Å; V265-F332 HydrophobicContact CB-CE2 4.35Å; V265-F332 HydrophobicContact CB-CG 4.2Å; V265-F332 HydrophobicContact CG1-CD1 4.41Å; V265-F332 HydrophobicContact CG1-CD2 3.78Å; V265-F332 HydrophobicContact CG1-CE1 4.28Å; V265-F332 HydrophobicContact CG1-CE2 3.64Å; V265-F332 HydrophobicContact CG1-CG 4.18Å; V265-F332 HydrophobicContact CG1-CZ 3.91Å; V265-F332 HydrophobicContact CG2-CB 4.47Å; V265-F332 HydrophobicContact CG2-CG 4.33Å |
| 266 | G | 92.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -86.9 | -153.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | G268 I269 D270 D326 | G266-G268 PolarHBondContact O-N 3.42Å; G266-I269 PolarHBondContact O-N 3.16Å; G266-D270 PolarHBondContact O-N 3.27Å; G266-D326 VanDerWaalsContact CA-OD1 3.29Å; G266-D326 WeakPolarHBondContact CA-OD1 3.19Å |
| 267 | A | 90.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 28.4 Ų | 28.4 | 31% | 0.306 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.1 | 115.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D270 D326 L328 | A267-D270 WeakPolarHBondContact CA-OD2 3.44Å; A267-D270 PolarHBondContact N-OD2 2.87Å; A267-D326 PolarHBondContact N-OD1 3.39Å; A267-D326 PolarHBondContact N-OD2 2.69Å; A267-L328 HydrophobicContact CB-CD1 4.47Å |
| 268 | G | 92.3 | Very high | 96 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 14% | 0.144 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 6.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T203 A204 G266 D270 | T203-G268 PolarHBondContact N-O 3.07Å; A204-G268 PolarHBondContact N-O 3.33Å; G266-G268 PolarHBondContact O-N 3.42Å; G268-D270 PolarHBondContact N-OD2 2.89Å |
| 269 | I | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.5 | -45.2 | 169.9 | -50.1 | -179.6 | 0 | 0 | 0 | 111 | T203 V247 T249 G266 S271 Y272 Y273 | T203-I269 HydrophobicContact CG2-CG2 4.15Å; V247-I269 HydrophobicContact CG2-CG2 3.91Å; T249-I269 HydrophobicContact CG2-CG1 4.41Å; G266-I269 PolarHBondContact O-N 3.16Å; I269-S271 PolarHBondContact O-N 3.41Å; I269-S271 VanDerWaalsContact O-N 3.15Å; I269-Y272 WeakPolarHBondContact O-CB 3.4Å; I269-Y272 PolarHBondContact O-N 2.98Å; I269-Y273 HydrophobicContact CB-CE2 4.46Å; I269-Y273 HydrophobicContact CG2-CD2 4.01Å; I269-Y273 HydrophobicContact CG2-CE1 4.43Å; I269-Y273 HydrophobicContact CG2-CE2 3.39Å |
| 270 | D | 96.3 | Very high | 96 | Very high | 18 Ų | 18 | 21.3 Ų | 21.3 | 10% | 0.096 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | 4.3 | -86.2 | 161.3 | 42.2 | 46.4 | 0 | 0 | 0 | 116.7 | A204 V265 G266 A267 G268 Y272 Y273 E274 F331 | A204-D270 VanDerWaalsContact CB-OD1 3.23Å; A204-D270 WeakPolarHBondContact CB-OD1 3.39Å; V265-D270 VanDerWaalsContact O-CA 3.27Å; V265-D270 WeakPolarHBondContact O-CA 3.4Å; V265-D270 WeakPolarHBondContact O-CB 3.48Å; V265-D270 PolarHBondContact O-N 2.87Å; G266-D270 PolarHBondContact O-N 3.27Å; A267-D270 WeakPolarHBondContact CA-OD2 3.44Å; A267-D270 PolarHBondContact N-OD2 2.87Å; G268-D270 PolarHBondContact N-OD2 2.89Å; D270-Y272 VanDerWaalsContact C-N 3.31Å; D270-Y272 PolarHBondContact O-N 2.59Å; D270-Y273 PolarHBondContact O-N 2.81Å; D270-Y273 VanDerWaalsContact O-N 3.13Å; D270-E274 PolarHBondContact O-N 3.41Å; D270-F331 HydrophobicContact CB-CD1 4.42Å; D270-F331 HydrophobicContact CB-CE1 3.82Å; D270-F331 HydrophobicContact CB-CZ 4.03Å; D270-F331 VanDerWaalsContact O-CZ 3.31Å; D270-F331 WeakPolarHBondContact O-CZ 3.38Å |
| 271 | S | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -72.9 | -15.4 | -169 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | A204 T208 I269 E274 Y275 | A204-S271 WeakPolarHBondContact CB-OG 3.4Å; T208-S271 WeakPolarHBondContact CG2-OG 3.27Å; T208-S271 VanDerWaalsContact OG1-C 3.31Å; T208-S271 WeakPolarHBondContact OG1-CB 3.5Å; T208-S271 PolarHBondContact OG1-OG 3.02Å; I269-S271 PolarHBondContact O-N 3.41Å; I269-S271 VanDerWaalsContact O-N 3.15Å; S271-E274 WeakPolarHBondContact O-CB 3.32Å; S271-E274 PolarHBondContact O-N 3.22Å; S271-Y275 WeakPolarHBondContact O-CB 3.42Å; S271-Y275 WeakPolarHBondContact O-CD1 3.4Å; S271-Y275 PolarHBondContact O-N 3.47Å |
| 272 | Y | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 168.1 | 162 | -100.8 | 0 | 0 | 0 | 111.2 | T203 T208 L233 L236 V247 I269 D270 E274 L276 H295 | T203-Y272 HydrophobicContact CG2-CD1 3.85Å; T203-Y272 HydrophobicContact CG2-CD2 4.42Å; T203-Y272 HydrophobicContact CG2-CE1 4.44Å; T203-Y272 HydrophobicContact CG2-CG 3.84Å; T208-Y272 PolarHBondContact OG1-N 3.12Å; L233-Y272 HydrophobicContact CD2-CD2 3.59Å; L233-Y272 HydrophobicContact CD2-CE2 3.55Å; L236-Y272 HydrophobicContact CB-CE2 3.9Å; L236-Y272 HydrophobicContact CD1-CD2 3.83Å; L236-Y272 HydrophobicContact CD1-CE2 3.84Å; V247-Y272 HydrophobicContact CG1-CE1 4.43Å; V247-Y272 HydrophobicContact CG2-CD1 4.26Å; V247-Y272 HydrophobicContact CG2-CE1 3.99Å; I269-Y272 WeakPolarHBondContact O-CB 3.4Å; I269-Y272 PolarHBondContact O-N 2.98Å; D270-Y272 VanDerWaalsContact C-N 3.31Å; D270-Y272 PolarHBondContact O-N 2.59Å; Y272-E274 VanDerWaalsContact C-N 3.34Å; Y272-L276 HydrophobicContact CE1-CD1 3.93Å; Y272-L276 HydrophobicContact CE2-CD1 4.13Å; Y272-L276 HydrophobicContact CE2-CG 4.4Å; Y272-L276 WeakPolarHBondContact O-CG 3.41Å; Y272-L276 PolarHBondContact O-N 2.89Å; Y272-H295 AromaticContact CE1-NE2 3.75Å; Y272-H295 AromaticContact CZ-NE2 3.8Å; Y272-H295 PolarHBondContact OH-NE2 3.01Å |
| 273 | Y | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 0% | 0.004 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.3 | -35.4 | 175.9 | -63.4 | -45.4 | 0 | 0 | 0 | 111.9 | V247 I269 D270 F292 H295 I299 | V247-Y273 HydrophobicContact CG2-CE1 4.13Å; V247-Y273 WeakPolarHBondContact CG2-OH 3.47Å; I269-Y273 HydrophobicContact CB-CE2 4.46Å; I269-Y273 HydrophobicContact CG2-CD2 4.01Å; I269-Y273 HydrophobicContact CG2-CE1 4.43Å; I269-Y273 HydrophobicContact CG2-CE2 3.39Å; D270-Y273 PolarHBondContact O-N 2.81Å; D270-Y273 VanDerWaalsContact O-N 3.13Å; Y273-F292 WeakPolarHBondContact O-CD2 3.43Å; Y273-H295 HydrophobicContact CD1-CB 3.89Å; Y273-H295 HydrophobicContact CE1-CB 3.64Å; Y273-H295 AromaticContact CE1-CG 3.66Å; Y273-H295 AromaticContact CE1-ND1 3.94Å; Y273-I299 HydrophobicContact CD1-CD1 4.26Å; Y273-I299 HydrophobicContact CD2-CD1 3.76Å; Y273-I299 HydrophobicContact CE1-CD1 4.17Å; Y273-I299 HydrophobicContact CE2-CD1 3.61Å; Y273-I299 HydrophobicContact CE2-CG1 4.28Å; Y273-I299 HydrophobicContact CG-CD1 4.07Å |
| 274 | E | 98.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 174.1 | -157.4 | -154.6 | 119.5 | 0 | 0 | 111.5 | D270 S271 Y272 L276 L277 K278 F331 L335 T468 | D270-E274 PolarHBondContact O-N 3.41Å; S271-E274 WeakPolarHBondContact O-CB 3.32Å; S271-E274 PolarHBondContact O-N 3.22Å; Y272-E274 VanDerWaalsContact C-N 3.34Å; E274-L276 VanDerWaalsContact C-N 3.3Å; E274-L276 PolarHBondContact O-N 2.73Å; E274-L277 PolarHBondContact O-N 3.33Å; E274-K278 HydrophobicContact CG-CD 3.9Å; E274-K278 PolarHBondContact O-N 2.99Å; E274-K278 WeakPolarHBondContact OE1-CD 3.46Å; E274-K278 WeakPolarHBondContact OE1-CE 3.48Å; E274-K278 IonicContact OE1-NZ 3.79Å; E274-K278 PolarHBondContact OE1-NZ 3.24Å; E274-F331 HydrophobicContact CB-CE2 3.92Å; E274-F331 HydrophobicContact CG-CD2 4.27Å; E274-F331 HydrophobicContact CG-CE2 4.09Å; E274-L335 HydrophobicContact CB-CD1 4.48Å; E274-L335 HydrophobicContact CB-CD2 4.49Å; E274-L335 HydrophobicContact CG-CD1 4.21Å; E274-T468 VanDerWaalsContact OE1-CA 3.28Å; E274-T468 WeakPolarHBondContact OE1-CA 3.26Å; E274-T468 PolarHBondContact OE1-N 3.17Å; E274-T468 VanDerWaalsContact OE2-CB 3.27Å; E274-T468 WeakPolarHBondContact OE2-CB 3.17Å; E274-T468 PolarHBondContact OE2-OG1 3.04Å |
| 275 | Y | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -71.5 | -25.5 | -175.4 | -84.1 | 32.7 | 0 | 0 | 0 | 112.1 | T208 I210 L211 E212 S271 L277 A279 T467 T468 | T208-Y275 HydrophobicContact CG2-CD1 3.94Å; T208-Y275 HydrophobicContact CG2-CD2 3.73Å; T208-Y275 HydrophobicContact CG2-CE1 3.67Å; T208-Y275 HydrophobicContact CG2-CE2 3.42Å; T208-Y275 VanDerWaalsContact CG2-CE2 3.42Å; T208-Y275 HydrophobicContact CG2-CG 3.99Å; I210-Y275 HydrophobicContact CG2-CD2 3.86Å; I210-Y275 HydrophobicContact CG2-CG 4.36Å; L211-Y275 HydrophobicContact CB-CD2 4.29Å; L211-Y275 HydrophobicContact CB-CE2 3.83Å; L211-Y275 HydrophobicContact CD1-CD1 3.82Å; L211-Y275 HydrophobicContact CD1-CD2 4.15Å; L211-Y275 HydrophobicContact CD1-CE1 3.49Å; L211-Y275 VanDerWaalsContact CD1-CE1 3.49Å; L211-Y275 HydrophobicContact CD1-CE2 3.86Å; L211-Y275 HydrophobicContact CD1-CG 4.13Å; L211-Y275 HydrophobicContact CG-CD1 4.22Å; L211-Y275 HydrophobicContact CG-CD2 3.7Å; L211-Y275 HydrophobicContact CG-CE1 4.14Å; L211-Y275 HydrophobicContact CG-CE2 3.61Å; L211-Y275 HydrophobicContact CG-CG 4Å; E212-Y275 PolarHBondContact OE1-OH 3.1Å; E212-Y275 WeakPolarHBondContact OE2-CE2 3.33Å; S271-Y275 WeakPolarHBondContact O-CB 3.42Å; S271-Y275 WeakPolarHBondContact O-CD1 3.4Å; S271-Y275 PolarHBondContact O-N 3.47Å; Y275-L277 VanDerWaalsContact C-N 3.33Å; Y275-L277 PolarHBondContact O-N 3.17Å; Y275-A279 WeakPolarHBondContact O-CB 3.33Å; Y275-A279 PolarHBondContact O-N 3.02Å; Y275-T467 WeakPolarHBondContact OH-CB 3.44Å; Y275-T468 HydrophobicContact CE1-CG2 4.31Å; Y275-T468 PolarHBondContact OH-N 3.49Å |
| 276 | L | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.7 | -29 | 169.1 | -69.3 | 176.1 | 0 | 0 | 0 | 113.4 | L233 Y272 E274 F288 R291 F292 | L233-L276 HydrophobicContact CD2-CD2 4.36Å; Y272-L276 HydrophobicContact CE1-CD1 3.93Å; Y272-L276 HydrophobicContact CE2-CD1 4.13Å; Y272-L276 HydrophobicContact CE2-CG 4.4Å; Y272-L276 WeakPolarHBondContact O-CG 3.41Å; Y272-L276 PolarHBondContact O-N 2.89Å; E274-L276 VanDerWaalsContact C-N 3.3Å; E274-L276 PolarHBondContact O-N 2.73Å; L276-F288 HydrophobicContact CD2-CD1 4.03Å; L276-F288 CarbonylContact O-C 3.54Å; L276-F288 WeakPolarHBondContact O-CB 3.45Å; L276-R291 HydrophobicContact CD1-CB 4.16Å; L276-R291 HydrophobicContact CD2-CB 4.12Å; L276-F292 HydrophobicContact CB-CB 3.86Å |
| 277 | L | 97.8 | Very high | 95 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -85.3 | -46.7 | 171.5 | -176.4 | 60.3 | 0 | 0 | 0 | 111.5 | E274 Y275 A279 Y280 I281 L289 F292 L335 L338 K339 | E274-L277 PolarHBondContact O-N 3.33Å; Y275-L277 VanDerWaalsContact C-N 3.33Å; Y275-L277 PolarHBondContact O-N 3.17Å; L277-A279 VanDerWaalsContact C-N 3.33Å; L277-A279 PolarHBondContact O-N 2.82Å; L277-Y280 WeakPolarHBondContact O-CB 3.48Å; L277-Y280 PolarHBondContact O-N 3.23Å; L277-I281 HydrophobicContact CG-CD1 4.12Å; L277-I281 PolarHBondContact O-N 2.73Å; L277-L289 HydrophobicContact CD1-CD1 4.12Å; L277-F292 HydrophobicContact CB-CD1 3.96Å; L277-F292 HydrophobicContact CB-CD2 4.07Å; L277-F292 HydrophobicContact CB-CE1 3.98Å; L277-F292 HydrophobicContact CB-CE2 4.13Å; L277-F292 HydrophobicContact CB-CG 3.99Å; L277-F292 HydrophobicContact CB-CZ 4.08Å; L277-F292 HydrophobicContact CD1-CD1 3.79Å; L277-F292 HydrophobicContact CD1-CE1 3.84Å; L277-F292 HydrophobicContact CD2-CD1 4.46Å; L277-F292 HydrophobicContact CD2-CE1 3.76Å; L277-F292 HydrophobicContact CD2-CZ 3.91Å; L277-F292 HydrophobicContact CG-CD1 4.27Å; L277-F292 HydrophobicContact CG-CE1 4.06Å; L277-F292 HydrophobicContact CG-CZ 4.43Å; L277-L335 HydrophobicContact CB-CD1 4.03Å; L277-L335 HydrophobicContact CD2-CD1 3.81Å; L277-L338 HydrophobicContact CD2-CB 3.72Å; L277-K339 HydrophobicContact CD2-CB 4.37Å |
| 278 | K | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.4 | -31.4 | -177.1 | -71.5 | 179.2 | 171.6 | -178 | 0 | 112.7 | L211 E274 I281 L282 V465 F466 T467 | L211-K278 HydrophobicContact CD1-CB 3.82Å; L211-K278 HydrophobicContact CD1-CD 4.23Å; L211-K278 HydrophobicContact CD2-CB 4.09Å; E274-K278 HydrophobicContact CG-CD 3.9Å; E274-K278 PolarHBondContact O-N 2.99Å; E274-K278 WeakPolarHBondContact OE1-CD 3.46Å; E274-K278 WeakPolarHBondContact OE1-CE 3.48Å; E274-K278 IonicContact OE1-NZ 3.79Å; E274-K278 PolarHBondContact OE1-NZ 3.24Å; K278-I281 PolarHBondContact O-N 2.73Å; K278-L282 WeakPolarHBondContact O-CB 3.35Å; K278-L282 PolarHBondContact O-N 3.28Å; K278-V465 HydrophobicContact CB-CG2 4.12Å; K278-V465 HydrophobicContact CD-CG2 4.32Å; K278-V465 HydrophobicContact CG-CG2 4.02Å; K278-F466 WeakPolarHBondContact CD-O 3.37Å; K278-F466 WeakPolarHBondContact CE-O 3.44Å; K278-F466 PolarHBondContact NZ-O 3.34Å; K278-T467 PolarHBondContact NZ-O 3.1Å |
| 279 | A | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.2 | -30.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I210 L211 Y275 L277 L283 F288 | I210-A279 HydrophobicContact CG1-CB 4.33Å; I210-A279 HydrophobicContact CG2-CB 3.91Å; L211-A279 HydrophobicContact CD2-CB 4.03Å; Y275-A279 WeakPolarHBondContact O-CB 3.33Å; Y275-A279 PolarHBondContact O-N 3.02Å; L277-A279 VanDerWaalsContact C-N 3.33Å; L277-A279 PolarHBondContact O-N 2.82Å; A279-L283 HydrophobicContact CB-CD1 4.46Å; A279-L283 VanDerWaalsContact O-CB 3.24Å; A279-L283 WeakPolarHBondContact O-CB 3.44Å; A279-L283 WeakPolarHBondContact O-CG 3.42Å; A279-L283 PolarHBondContact O-N 3.23Å; A279-F288 HydrophobicContact CB-CB 4.49Å; A279-F288 HydrophobicContact CB-CD1 4.4Å; A279-F288 HydrophobicContact CB-CD2 3.83Å; A279-F288 HydrophobicContact CB-CE2 4.08Å; A279-F288 HydrophobicContact CB-CG 4.02Å; A279-F288 HydrophobicContact CB-CZ 4.47Å |
| 280 | Y | 95.6 | Very high | 95.5 | Very high | 61 Ų | 61 | 27 Ų | 27 | 24% | 0.239 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 168 | 169.5 | -110 | 0 | 0 | 0 | 110.9 | L277 L282 G284 D285 D286 L289 | L277-Y280 WeakPolarHBondContact O-CB 3.48Å; L277-Y280 PolarHBondContact O-N 3.23Å; Y280-L282 VanDerWaalsContact C-N 3.33Å; Y280-L282 PolarHBondContact O-N 3.35Å; Y280-G284 WeakPolarHBondContact O-CA 3.5Å; Y280-G284 PolarHBondContact O-N 3.05Å; Y280-D285 WeakPolarHBondContact CD2-O 3.39Å; Y280-D286 WeakPolarHBondContact CE2-OD1 3.17Å; Y280-L289 HydrophobicContact CD1-CB 4.04Å; Y280-L289 HydrophobicContact CD1-CD1 4.27Å; Y280-L289 HydrophobicContact CD1-CD2 4.19Å; Y280-L289 HydrophobicContact CD1-CG 4.38Å; Y280-L289 HydrophobicContact CD2-CB 3.73Å; Y280-L289 HydrophobicContact CD2-CD2 4.46Å; Y280-L289 HydrophobicContact CE1-CB 4.41Å; Y280-L289 HydrophobicContact CE1-CD1 4.5Å; Y280-L289 HydrophobicContact CE1-CD2 3.76Å; Y280-L289 HydrophobicContact CE1-CG 4.43Å; Y280-L289 HydrophobicContact CE2-CB 4.12Å; Y280-L289 HydrophobicContact CE2-CD2 4.05Å; Y280-L289 HydrophobicContact CG-CB 3.66Å; Y280-L289 HydrophobicContact CG-CG 4.49Å |
| 281 | I | 94.1 | Very high | 95.5 | Very high | 64 Ų | 64 | 26.9 Ų | 26.9 | 33% | 0.328 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 179 | -64.9 | 167.8 | 0 | 0 | 0 | 111.5 | L277 K278 V465 L475 | L277-I281 HydrophobicContact CG-CD1 4.12Å; L277-I281 PolarHBondContact O-N 2.73Å; K278-I281 PolarHBondContact O-N 2.73Å; I281-V465 HydrophobicContact CG2-CB 4.5Å; I281-V465 HydrophobicContact CG2-CG2 4.32Å; I281-L475 HydrophobicContact CG2-CD2 3.78Å |
| 282 | L | 93.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -79.1 | -34.3 | -177.9 | -174.2 | 57.6 | 0 | 0 | 0 | 114.3 | L211 K278 Y280 V465 L473 L477 S478 | L211-L282 HydrophobicContact CB-CD2 4.38Å; L211-L282 HydrophobicContact CD2-CB 4.35Å; L211-L282 HydrophobicContact CD2-CD2 3.89Å; K278-L282 WeakPolarHBondContact O-CB 3.35Å; K278-L282 PolarHBondContact O-N 3.28Å; Y280-L282 VanDerWaalsContact C-N 3.33Å; Y280-L282 PolarHBondContact O-N 3.35Å; L282-V465 HydrophobicContact CB-CG1 4.19Å; L282-V465 HydrophobicContact CD1-CG1 3.95Å; L282-V465 HydrophobicContact CD2-CG1 4.34Å; L282-V465 HydrophobicContact CG-CG1 4.38Å; L282-L473 HydrophobicContact CD1-CB 4.49Å; L282-L473 HydrophobicContact CD2-CD1 4.09Å; L282-L477 HydrophobicContact CD1-CB 4.11Å; L282-L477 HydrophobicContact CD1-CD1 4.22Å; L282-S478 WeakPolarHBondContact O-CA 3.31Å; L282-S478 VanDerWaalsContact O-CB 3.31Å; L282-S478 WeakPolarHBondContact O-CB 3.37Å; L282-S478 PolarHBondContact O-N 3.04Å |
| 283 | L | 91.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 11% | 0.11 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -115.2 | -10.5 | -168.2 | -52.5 | 176.2 | 0 | 0 | 0 | 114.3 | I210 A214 A279 D285 F288 | I210-L283 HydrophobicContact CG1-CD1 4.45Å; A214-L283 HydrophobicContact CB-CD1 3.86Å; A214-L283 HydrophobicContact CB-CD2 3.82Å; A214-L283 HydrophobicContact CB-CG 4.43Å; A279-L283 HydrophobicContact CB-CD1 4.46Å; A279-L283 VanDerWaalsContact O-CB 3.24Å; A279-L283 WeakPolarHBondContact O-CB 3.44Å; A279-L283 WeakPolarHBondContact O-CG 3.42Å; A279-L283 PolarHBondContact O-N 3.23Å; L283-D285 VanDerWaalsContact C-N 3.26Å; L283-D285 PolarHBondContact O-N 3.26Å; L283-F288 HydrophobicContact CD1-CE2 3.99Å |
| 284 | G | 88.2 | Confident | 95.5 | Very high | 51 Ų | 51 | 32 Ų | 32 | 53% | 0.526 | 17% | 0.172 | S | C | . | . | trans | 68.6 | 18 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y280 | Y280-G284 WeakPolarHBondContact O-CA 3.5Å; Y280-G284 PolarHBondContact O-N 3.05Å | ||
| 285 | D | 89.6 | Confident | 95.4 | Very high | 43 Ų | 43 | 31.9 Ų | 31.9 | 23% | 0.23 | 17% | 0.172 | C | C | . | . | trans | -96.7 | 102.4 | -174.3 | 179.9 | -3 | 0 | 0 | 0 | 111.8 | R230 Y280 L283 L287 F288 | R230-D285 IonicContact CZ-OD2 2.75Å; R230-D285 IonicContact NH1-OD2 3.34Å; R230-D285 PolarHBondContact NH1-OD2 3.35Å; R230-D285 IonicContact NH2-OD2 2.73Å; R230-D285 PolarHBondContact NH2-OD2 3.04Å; Y280-D285 WeakPolarHBondContact CD2-O 3.39Å; L283-D285 VanDerWaalsContact C-N 3.26Å; L283-D285 PolarHBondContact O-N 3.26Å; D285-L287 PolarHBondContact O-N 3.1Å; D285-L287 WeakPolarHBondContact OD1-CB 3.38Å; D285-L287 PolarHBondContact OD1-N 3.36Å; D285-F288 HydrophobicContact CB-CD2 3.83Å; D285-F288 HydrophobicContact CB-CE2 4.08Å; D285-F288 PolarHBondContact O-N 3.48Å | ||
| 286 | D | 91.4 | Very high | 95.4 | Very high | 86 Ų | 86 | 32.5 Ų | 32.5 | 46% | 0.46 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -52.6 | -21.9 | -179.1 | -67.5 | -49 | 0 | 0 | 0 | 114.2 | Y280 F288 L289 Q290 | Y280-D286 WeakPolarHBondContact CE2-OD1 3.17Å; D286-F288 VanDerWaalsContact C-N 3.29Å; D286-F288 PolarHBondContact O-N 3.08Å; D286-L289 PolarHBondContact O-N 2.72Å; D286-Q290 WeakPolarHBondContact O-CB 3.28Å; D286-Q290 PolarHBondContact O-N 2.8Å |
| 287 | L | 94.5 | Very high | 95.3 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 33% | 0.33 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -37.7 | 177 | -175.9 | 57.5 | 0 | 0 | 0 | 111.6 | D285 R291 | D285-L287 PolarHBondContact O-N 3.1Å; D285-L287 WeakPolarHBondContact OD1-CB 3.38Å; D285-L287 PolarHBondContact OD1-N 3.36Å; L287-R291 WeakPolarHBondContact O-CG 3.45Å; L287-R291 PolarHBondContact O-N 3.08Å; L287-R291 VanDerWaalsContact O-N 3.11Å |
| 288 | F | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.3 | -44.2 | 176.1 | -64.3 | -59.7 | 0 | 0 | 0 | 111.1 | I210 L233 L276 A279 L283 D285 D286 Q290 R291 F292 | I210-F288 HydrophobicContact CD1-CZ 4.43Å; I210-F288 HydrophobicContact CG1-CZ 4.11Å; L233-F288 HydrophobicContact CD1-CD1 4.46Å; L233-F288 HydrophobicContact CD1-CE1 3.79Å; L276-F288 HydrophobicContact CD2-CD1 4.03Å; L276-F288 CarbonylContact O-C 3.54Å; L276-F288 WeakPolarHBondContact O-CB 3.45Å; A279-F288 HydrophobicContact CB-CB 4.49Å; A279-F288 HydrophobicContact CB-CD1 4.4Å; A279-F288 HydrophobicContact CB-CD2 3.83Å; A279-F288 HydrophobicContact CB-CE2 4.08Å; A279-F288 HydrophobicContact CB-CG 4.02Å; A279-F288 HydrophobicContact CB-CZ 4.47Å; L283-F288 HydrophobicContact CD1-CE2 3.99Å; D285-F288 HydrophobicContact CB-CD2 3.83Å; D285-F288 HydrophobicContact CB-CE2 4.08Å; D285-F288 PolarHBondContact O-N 3.48Å; D286-F288 VanDerWaalsContact C-N 3.29Å; D286-F288 PolarHBondContact O-N 3.08Å; F288-Q290 PolarHBondContact O-N 3.18Å; F288-R291 PolarHBondContact O-N 2.75Å; F288-F292 WeakPolarHBondContact O-CB 3.39Å; F288-F292 PolarHBondContact O-N 3.29Å |
| 289 | L | 95.5 | Very high | 95.2 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 14% | 0.141 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 175.2 | 178.9 | 62.4 | 0 | 0 | 0 | 112.3 | L277 Y280 D286 F292 N293 W503 | L277-L289 HydrophobicContact CD1-CD1 4.12Å; Y280-L289 HydrophobicContact CD1-CB 4.04Å; Y280-L289 HydrophobicContact CD1-CD1 4.27Å; Y280-L289 HydrophobicContact CD1-CD2 4.19Å; Y280-L289 HydrophobicContact CD1-CG 4.38Å; Y280-L289 HydrophobicContact CD2-CB 3.73Å; Y280-L289 HydrophobicContact CD2-CD2 4.46Å; Y280-L289 HydrophobicContact CE1-CB 4.41Å; Y280-L289 HydrophobicContact CE1-CD1 4.5Å; Y280-L289 HydrophobicContact CE1-CD2 3.76Å; Y280-L289 HydrophobicContact CE1-CG 4.43Å; Y280-L289 HydrophobicContact CE2-CB 4.12Å; Y280-L289 HydrophobicContact CE2-CD2 4.05Å; Y280-L289 HydrophobicContact CG-CB 3.66Å; Y280-L289 HydrophobicContact CG-CG 4.49Å; D286-L289 PolarHBondContact O-N 2.72Å; L289-F292 HydrophobicContact CD1-CD1 4.47Å; L289-F292 PolarHBondContact O-N 3.23Å; L289-N293 WeakPolarHBondContact CD1-ND2 3.42Å; L289-N293 WeakPolarHBondContact O-CB 3.18Å; L289-N293 VanDerWaalsContact O-CG 3.3Å; L289-N293 PolarHBondContact O-N 3.36Å; L289-N293 PolarHBondContact O-ND2 2.61Å; L289-W503 HydrophobicContact CD2-CZ3 3.9Å |
| 290 | Q | 97 | Very high | 95.1 | Very high | 115 Ų | 115 | 37.8 Ų | 37.8 | 54% | 0.537 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.6 | -174.5 | -172.8 | 87.1 | 0 | 0 | 111.2 | D286 F288 N293 I294 | D286-Q290 WeakPolarHBondContact O-CB 3.28Å; D286-Q290 PolarHBondContact O-N 2.8Å; F288-Q290 PolarHBondContact O-N 3.18Å; Q290-N293 PolarHBondContact O-N 3.26Å; Q290-I294 HydrophobicContact CG-CD1 4.07Å; Q290-I294 WeakPolarHBondContact O-CG1 3.33Å; Q290-I294 PolarHBondContact O-N 2.97Å; Q290-I294 VanDerWaalsContact O-N 3.13Å |
| 291 | R | 97.5 | Very high | 95 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -48.1 | 177.3 | -69.4 | 174.9 | -177.4 | -174.8 | 2.9 | 111.5 | D234 W237 L276 L287 F288 N293 I294 H295 | D234-R291 IonicContact OD1-CZ 3.63Å; D234-R291 IonicContact OD1-NH1 2.8Å; D234-R291 PolarHBondContact OD1-NH1 3.27Å; D234-R291 IonicContact OD1-NH2 2.65Å; D234-R291 PolarHBondContact OD1-NH2 3.17Å; W237-R291 HydrophobicContact CD2-CB 4.36Å; W237-R291 HydrophobicContact CD2-CG 3.59Å; W237-R291 HydrophobicContact CE3-CB 3.9Å; W237-R291 HydrophobicContact CE3-CG 3.65Å; W237-R291 HydrophobicContact CG-CG 4.15Å; W237-R291 HydrophobicContact CH2-CB 4.27Å; W237-R291 HydrophobicContact CH2-CG 4Å; W237-R291 HydrophobicContact CZ2-CG 3.94Å; W237-R291 HydrophobicContact CZ3-CB 3.86Å; W237-R291 HydrophobicContact CZ3-CG 3.87Å; L276-R291 HydrophobicContact CD1-CB 4.16Å; L276-R291 HydrophobicContact CD2-CB 4.12Å; L287-R291 WeakPolarHBondContact O-CG 3.45Å; L287-R291 PolarHBondContact O-N 3.08Å; L287-R291 VanDerWaalsContact O-N 3.11Å; F288-R291 PolarHBondContact O-N 2.75Å; R291-N293 PolarHBondContact O-N 2.9Å; R291-I294 PolarHBondContact O-N 2.96Å; R291-H295 PolarHBondContact O-CD2 3.13Å; R291-H295 VanDerWaalsContact O-CD2 3.25Å; R291-H295 PolarHBondContact O-N 2.91Å |
| 292 | F | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.7 | -50.4 | 175.5 | 174.9 | -114.1 | 0 | 0 | 0 | 111.6 | Y273 L276 L277 F288 L289 I294 H295 Y296 L335 K339 | Y273-F292 WeakPolarHBondContact O-CD2 3.43Å; L276-F292 HydrophobicContact CB-CB 3.86Å; L277-F292 HydrophobicContact CB-CD1 3.96Å; L277-F292 HydrophobicContact CB-CD2 4.07Å; L277-F292 HydrophobicContact CB-CE1 3.98Å; L277-F292 HydrophobicContact CB-CE2 4.13Å; L277-F292 HydrophobicContact CB-CG 3.99Å; L277-F292 HydrophobicContact CB-CZ 4.08Å; L277-F292 HydrophobicContact CD1-CD1 3.79Å; L277-F292 HydrophobicContact CD1-CE1 3.84Å; L277-F292 HydrophobicContact CD2-CD1 4.46Å; L277-F292 HydrophobicContact CD2-CE1 3.76Å; L277-F292 HydrophobicContact CD2-CZ 3.91Å; L277-F292 HydrophobicContact CG-CD1 4.27Å; L277-F292 HydrophobicContact CG-CE1 4.06Å; L277-F292 HydrophobicContact CG-CZ 4.43Å; F288-F292 WeakPolarHBondContact O-CB 3.39Å; F288-F292 PolarHBondContact O-N 3.29Å; L289-F292 HydrophobicContact CD1-CD1 4.47Å; L289-F292 PolarHBondContact O-N 3.23Å; F292-I294 VanDerWaalsContact C-N 3.31Å; F292-I294 PolarHBondContact O-N 2.79Å; F292-H295 PolarHBondContact O-N 3.38Å; F292-Y296 HydrophobicContact CE2-CD2 4.47Å; F292-Y296 HydrophobicContact CZ-CD2 4.1Å; F292-Y296 VanDerWaalsContact O-CB 3.32Å; F292-Y296 WeakPolarHBondContact O-CB 3.34Å; F292-Y296 PolarHBondContact O-N 2.73Å; F292-L335 HydrophobicContact CE2-CD1 4.42Å; F292-L335 HydrophobicContact CE2-CD2 3.94Å; F292-L335 HydrophobicContact CE2-CG 4.17Å; F292-L335 HydrophobicContact CZ-CD1 4.46Å; F292-L335 HydrophobicContact CZ-CD2 4.44Å; F292-L335 HydrophobicContact CZ-CG 4.19Å; F292-K339 HydrophobicContact CE1-CB 4.02Å; F292-K339 HydrophobicContact CE1-CD 3.68Å; F292-K339 HydrophobicContact CE1-CG 4.01Å; F292-K339 HydrophobicContact CZ-CB 4.25Å; F292-K339 HydrophobicContact CZ-CD 4.08Å |
| 293 | N | 97.5 | Very high | 95.1 | Very high | 55 Ų | 55 | 40 Ų | 40 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.1 | -37 | -179.2 | -78.5 | -32.9 | 0 | 0 | 0 | 113 | L289 Q290 R291 A297 K339 | L289-N293 WeakPolarHBondContact CD1-ND2 3.42Å; L289-N293 WeakPolarHBondContact O-CB 3.18Å; L289-N293 VanDerWaalsContact O-CG 3.3Å; L289-N293 PolarHBondContact O-N 3.36Å; L289-N293 PolarHBondContact O-ND2 2.61Å; Q290-N293 PolarHBondContact O-N 3.26Å; R291-N293 PolarHBondContact O-N 2.9Å; N293-A297 WeakPolarHBondContact O-CB 3.46Å; N293-A297 PolarHBondContact O-N 2.92Å; N293-K339 PolarHBondContact OD1-NZ 3.21Å |
| 294 | I | 97.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 39.6 Ų | 39.6 | 28% | 0.282 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.2 | -39.8 | 177.2 | -71.2 | 166.5 | 0 | 0 | 0 | 111.7 | W237 N245 Q290 R291 F292 S298 | W237-I294 HydrophobicContact CH2-CB 3.91Å; W237-I294 HydrophobicContact CH2-CD1 3.74Å; W237-I294 HydrophobicContact CH2-CG1 4.42Å; W237-I294 HydrophobicContact CH2-CG2 3.8Å; W237-I294 HydrophobicContact CZ2-CD1 4.22Å; W237-I294 HydrophobicContact CZ3-CB 4.37Å; W237-I294 HydrophobicContact CZ3-CG2 4.22Å; N245-I294 HydrophobicContact CB-CG2 3.79Å; Q290-I294 HydrophobicContact CG-CD1 4.07Å; Q290-I294 WeakPolarHBondContact O-CG1 3.33Å; Q290-I294 PolarHBondContact O-N 2.97Å; Q290-I294 VanDerWaalsContact O-N 3.13Å; R291-I294 PolarHBondContact O-N 2.96Å; F292-I294 VanDerWaalsContact C-N 3.31Å; F292-I294 PolarHBondContact O-N 2.79Å; I294-S298 PolarHBondContact O-N 3.36Å; I294-S298 PolarHBondContact O-OG 3.41Å |
| 295 | H | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -46.8 | 172.1 | -72.9 | -55.9 | 0 | 0 | 0 | 111.3 | W237 N245 Y272 Y273 R291 F292 A297 S298 I299 | W237-H295 AromaticContact CE3-NE2 3.46Å; W237-H295 AromaticContact CZ3-CD2 3.96Å; W237-H295 AromaticContact CZ3-NE2 3.58Å; N245-H295 PolarHBondContact O-CE1 2.85Å; N245-H295 VanDerWaalsContact O-CE1 3.25Å; N245-H295 PolarHBondContact O-ND1 3.44Å; Y272-H295 AromaticContact CE1-NE2 3.75Å; Y272-H295 AromaticContact CZ-NE2 3.8Å; Y272-H295 PolarHBondContact OH-NE2 3.01Å; Y273-H295 HydrophobicContact CD1-CB 3.89Å; Y273-H295 HydrophobicContact CE1-CB 3.64Å; Y273-H295 AromaticContact CE1-CG 3.66Å; Y273-H295 AromaticContact CE1-ND1 3.94Å; R291-H295 PolarHBondContact O-CD2 3.13Å; R291-H295 VanDerWaalsContact O-CD2 3.25Å; R291-H295 PolarHBondContact O-N 2.91Å; F292-H295 PolarHBondContact O-N 3.38Å; H295-A297 PolarHBondContact O-N 3.06Å; H295-S298 CarbonylContact O-C 3.59Å; H295-S298 WeakPolarHBondContact O-CA 3.27Å; H295-S298 WeakPolarHBondContact O-CB 3.36Å; H295-S298 PolarHBondContact O-N 3.28Å; H295-I299 WeakPolarHBondContact O-CG1 3.12Å; H295-I299 PolarHBondContact O-N 3.07Å |
| 296 | Y | 97.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 179.1 | -170.6 | -93.6 | 0 | 0 | 0 | 112.6 | F292 S298 I299 M300 F332 Q336 K339 D341 | F292-Y296 HydrophobicContact CE2-CD2 4.47Å; F292-Y296 HydrophobicContact CZ-CD2 4.1Å; F292-Y296 VanDerWaalsContact O-CB 3.32Å; F292-Y296 WeakPolarHBondContact O-CB 3.34Å; F292-Y296 PolarHBondContact O-N 2.73Å; Y296-S298 PolarHBondContact O-N 3.06Å; Y296-S298 VanDerWaalsContact O-N 3.1Å; Y296-I299 PolarHBondContact O-N 2.8Å; Y296-M300 HydrophobicContact CD1-CG 3.86Å; Y296-M300 HydrophobicContact CE1-CG 3.38Å; Y296-M300 HydrophobicContact CE1-SD 4.31Å; Y296-M300 HydrophobicContact CE2-CG 4.11Å; Y296-M300 HydrophobicContact CE2-SD 4.27Å; Y296-M300 HydrophobicContact CG-CG 4.43Å; Y296-M300 VanDerWaalsContact CZ-CG 3.5Å; Y296-M300 WeakPolarHBondContact O-CB 3.19Å; Y296-M300 WeakPolarHBondContact O-CG 3.33Å; Y296-M300 PolarHBondContact O-N 3.18Å; Y296-F332 HydrophobicContact CD2-CZ 4.06Å; Y296-F332 HydrophobicContact CE2-CE1 4.26Å; Y296-F332 AromaticContact CE2-CZ 3.75Å; Y296-F332 HydrophobicContact CE2-CZ 3.75Å; Y296-Q336 HydrophobicContact CE2-CG 3.86Å; Y296-Q336 WeakPolarHBondContact OH-CG 3.18Å; Y296-Q336 PolarHBondContact OH-NE2 3.09Å; Y296-K339 HydrophobicContact CD1-CD 3.54Å; Y296-K339 HydrophobicContact CD2-CD 3.84Å; Y296-K339 HydrophobicContact CE1-CD 3.63Å; Y296-K339 HydrophobicContact CE2-CD 3.97Å; Y296-K339 HydrophobicContact CG-CD 3.64Å; Y296-D341 WeakPolarHBondContact CE1-OD2 3.33Å; Y296-D341 PolarHBondContact OH-OD2 2.75Å |
| 297 | A | 96.4 | Very high | 93.4 | Very high | 61 Ų | 61 | 40.9 Ų | 40.9 | 50% | 0.504 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.3 | -21.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N293 H295 K301 | N293-A297 WeakPolarHBondContact O-CB 3.46Å; N293-A297 PolarHBondContact O-N 2.92Å; H295-A297 PolarHBondContact O-N 3.06Å; A297-K301 VanDerWaalsContact O-CB 3.28Å; A297-K301 WeakPolarHBondContact O-CB 3.15Å |
| 298 | S | 96.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -90 | -39.4 | 177.7 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | S244 I294 H295 Y296 K301 Y302 | S244-S298 WeakPolarHBondContact O-CB 3.48Å; S244-S298 PolarHBondContact O-OG 2.88Å; I294-S298 PolarHBondContact O-N 3.36Å; I294-S298 PolarHBondContact O-OG 3.41Å; H295-S298 CarbonylContact O-C 3.59Å; H295-S298 WeakPolarHBondContact O-CA 3.27Å; H295-S298 WeakPolarHBondContact O-CB 3.36Å; H295-S298 PolarHBondContact O-N 3.28Å; Y296-S298 PolarHBondContact O-N 3.06Å; Y296-S298 VanDerWaalsContact O-N 3.1Å; S298-K301 PolarHBondContact O-N 3.05Å; S298-Y302 VanDerWaalsContact O-CD2 3.23Å; S298-Y302 WeakPolarHBondContact O-CD2 3.28Å; S298-Y302 PolarHBondContact O-N 3.24Å |
| 299 | I | 96.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -51.9 | 170.4 | -66.5 | 160.8 | 0 | 0 | 0 | 109.7 | V265 Y273 H295 Y296 K301 Y302 I303 S304 F332 | V265-I299 HydrophobicContact CG1-CD1 4.18Å; V265-I299 HydrophobicContact CG1-CG1 4.34Å; V265-I299 HydrophobicContact CG1-CG2 3.54Å; Y273-I299 HydrophobicContact CD1-CD1 4.26Å; Y273-I299 HydrophobicContact CD2-CD1 3.76Å; Y273-I299 HydrophobicContact CE1-CD1 4.17Å; Y273-I299 HydrophobicContact CE2-CD1 3.61Å; Y273-I299 HydrophobicContact CE2-CG1 4.28Å; Y273-I299 HydrophobicContact CG-CD1 4.07Å; H295-I299 WeakPolarHBondContact O-CG1 3.12Å; H295-I299 PolarHBondContact O-N 3.07Å; Y296-I299 PolarHBondContact O-N 2.8Å; I299-K301 PolarHBondContact O-N 3.3Å; I299-K301 VanDerWaalsContact O-N 3.11Å; I299-Y302 PolarHBondContact O-N 3.36Å; I299-I303 HydrophobicContact CB-CD1 4.5Å; I299-I303 HydrophobicContact CG1-CD1 4.11Å; I299-I303 HydrophobicContact CG2-CB 4.2Å; I299-I303 HydrophobicContact CG2-CG2 4.34Å; I299-I303 PolarHBondContact O-N 3.34Å; I299-S304 PolarHBondContact O-N 2.62Å; I299-F332 HydrophobicContact CD1-CE2 4.32Å; I299-F332 HydrophobicContact CD1-CZ 4.38Å; I299-F332 HydrophobicContact CG2-CE1 4.2Å; I299-F332 HydrophobicContact CG2-CE2 4.48Å; I299-F332 HydrophobicContact CG2-CZ 3.73Å |
| 300 | M | 94.4 | Very high | 92.7 | Very high | 50 Ų | 50 | 38.9 Ų | 38.9 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67 | -11.4 | 179.4 | -63.9 | -51.3 | -66 | 0 | 0 | 114.4 | Y296 F332 Q336 P344 | Y296-M300 HydrophobicContact CD1-CG 3.86Å; Y296-M300 HydrophobicContact CE1-CG 3.38Å; Y296-M300 HydrophobicContact CE1-SD 4.31Å; Y296-M300 HydrophobicContact CE2-CG 4.11Å; Y296-M300 HydrophobicContact CE2-SD 4.27Å; Y296-M300 HydrophobicContact CG-CG 4.43Å; Y296-M300 VanDerWaalsContact CZ-CG 3.5Å; Y296-M300 WeakPolarHBondContact O-CB 3.19Å; Y296-M300 WeakPolarHBondContact O-CG 3.33Å; Y296-M300 PolarHBondContact O-N 3.18Å; M300-F332 HydrophobicContact SD-CE1 4.49Å; M300-Q336 PolarHBondContact SD-NE2 3.08Å; M300-P344 HydrophobicContact CE-CB 3.81Å; M300-P344 HydrophobicContact CE-CG 3.75Å |
| 301 | K | 94.6 | Very high | 92.5 | Very high | 140 Ų | 140 | 33.7 Ų | 33.7 | 61% | 0.609 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -99.3 | -30.5 | 178.3 | -176.9 | -176.7 | 177 | -162.7 | 0 | 113.7 | A297 S298 I299 | A297-K301 VanDerWaalsContact O-CB 3.28Å; A297-K301 WeakPolarHBondContact O-CB 3.15Å; S298-K301 PolarHBondContact O-N 3.05Å; I299-K301 PolarHBondContact O-N 3.3Å; I299-K301 VanDerWaalsContact O-N 3.11Å |
| 302 | Y | 94.9 | Very high | 92.4 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 13% | 0.125 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -122.2 | -40.7 | -169.5 | -59 | -57.1 | 0 | 0 | 0 | 113.9 | L246 S298 I299 P317 L318 | L246-Y302 HydrophobicContact CD1-CD2 4.23Å; L246-Y302 HydrophobicContact CG-CD2 4.45Å; S298-Y302 VanDerWaalsContact O-CD2 3.23Å; S298-Y302 WeakPolarHBondContact O-CD2 3.28Å; S298-Y302 PolarHBondContact O-N 3.24Å; I299-Y302 PolarHBondContact O-N 3.36Å; Y302-P317 HydrophobicContact CD1-CB 3.79Å; Y302-P317 HydrophobicContact CD1-CG 3.89Å; Y302-P317 HydrophobicContact CD2-CB 4.07Å; Y302-P317 HydrophobicContact CD2-CG 4.38Å; Y302-P317 HydrophobicContact CE1-CB 4.25Å; Y302-P317 HydrophobicContact CE1-CG 3.83Å; Y302-P317 HydrophobicContact CE2-CB 4.5Å; Y302-P317 HydrophobicContact CE2-CG 4.33Å; Y302-P317 HydrophobicContact CG-CB 3.69Å; Y302-P317 HydrophobicContact CG-CG 4.17Å; Y302-L318 HydrophobicContact CD1-CD2 4.45Å |
| 303 | I | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -40.4 | -176.5 | -69.4 | 159.1 | 0 | 0 | 0 | 110.6 | L246 V265 I299 Q305 L309 L310 V312 | L246-I303 HydrophobicContact CD2-CD1 3.91Å; V265-I303 HydrophobicContact CG1-CG2 4.46Å; I299-I303 HydrophobicContact CB-CD1 4.5Å; I299-I303 HydrophobicContact CG1-CD1 4.11Å; I299-I303 HydrophobicContact CG2-CB 4.2Å; I299-I303 HydrophobicContact CG2-CG2 4.34Å; I299-I303 PolarHBondContact O-N 3.34Å; I303-Q305 PolarHBondContact O-N 2.95Å; I303-L309 HydrophobicContact CG2-CB 4.33Å; I303-L310 PolarHBondContact O-N 3.09Å; I303-V312 HydrophobicContact CG1-CG2 3.88Å |
| 304 | S | 91.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 34 Ų | 34 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 120.4 | 179.5 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | I299 L309 | I299-S304 PolarHBondContact O-N 2.62Å; S304-L309 WeakPolarHBondContact OG-CD2 3.46Å |
| 305 | Q | 84.2 | Confident | 91.9 | Very high | 101 Ų | 101 | 36 Ų | 36 | 47% | 0.472 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 73.5 | 173.7 | -61.4 | -175.5 | 30 | 0 | 0 | 108.1 | I303 L308 | I303-Q305 PolarHBondContact O-N 2.95Å; Q305-L308 CarbonylContact C-O 3.54Å; Q305-L308 VanDerWaalsContact C-O 3.3Å; Q305-L308 PolarHBondContact N-O 2.84Å; Q305-L308 WeakPolarHBondContact O-CB 3.45Å; Q305-L308 PolarHBondContact O-N 2.9Å |
| 306 | P | 71.6 | Confident | 91.7 | Very high | 77 Ų | 77 | 42.6 Ų | 42.6 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 131.5 | -160.3 | -31.3 | 36.3 | 0 | 0 | 0 | 114.6 | ||
| 307 | P | 76.4 | Confident | 91.4 | Very high | 30 Ų | 30 | 43 Ų | 43 | 20% | 0.195 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.9 | 8.6 | 9.5 | 38.4 | -38 | 0 | 0 | 0 | 115 | M351 I525 | P307-M351 HydrophobicContact CB-CB 3.97Å; P307-M351 HydrophobicContact CB-CG 4.46Å; P307-M351 HydrophobicContact CG-CB 4.32Å; P307-M351 HydrophobicContact CG-CG 4.4Å; P307-M351 VanDerWaalsContact O-SD 3.41Å; P307-I525 HydrophobicContact CB-CD1 4.02Å |
| 308 | L | 88.4 | Confident | 91.2 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 148 | -176.4 | -49.3 | -179.7 | 0 | 0 | 0 | 111.4 | Q305 L310 M325 M351 T368 F370 | Q305-L308 CarbonylContact C-O 3.54Å; Q305-L308 VanDerWaalsContact C-O 3.3Å; Q305-L308 PolarHBondContact N-O 2.84Å; Q305-L308 WeakPolarHBondContact O-CB 3.45Å; Q305-L308 PolarHBondContact O-N 2.9Å; L308-L310 HydrophobicContact CB-CD1 4.4Å; L308-L310 HydrophobicContact CB-CG 4.21Å; L308-L310 HydrophobicContact CD1-CD1 4.2Å; L308-M325 HydrophobicContact CB-SD 4.42Å; L308-M325 HydrophobicContact CD2-CE 3.97Å; L308-M325 HydrophobicContact CD2-SD 4.35Å; L308-M351 HydrophobicContact CD2-SD 3.71Å; L308-T368 HydrophobicContact CD1-CG2 4.01Å; L308-F370 HydrophobicContact CD2-CE1 3.95Å; L308-F370 HydrophobicContact CD2-CZ 4.04Å |
| 309 | L | 92.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 112.5 | 166.8 | -55.6 | -177.8 | 0 | 0 | 0 | 107 | V265 I303 S304 M325 L329 F332 T348 | V265-L309 HydrophobicContact CG2-CB 4.03Å; V265-L309 HydrophobicContact CG2-CD1 3.64Å; V265-L309 HydrophobicContact CG2-CG 4.46Å; I303-L309 HydrophobicContact CG2-CB 4.33Å; S304-L309 WeakPolarHBondContact OG-CD2 3.46Å; L309-M325 WeakPolarHBondContact O-CG 3.41Å; L309-L329 HydrophobicContact CB-CD2 4.43Å; L309-L329 HydrophobicContact CD1-CD1 4.46Å; L309-F332 HydrophobicContact CD1-CB 4.42Å; L309-F332 HydrophobicContact CD1-CD1 3.65Å; L309-F332 HydrophobicContact CD1-CE1 4.31Å; L309-F332 HydrophobicContact CD1-CG 4.31Å; L309-T348 HydrophobicContact CD1-CG2 3.99Å; L309-T348 HydrophobicContact CG-CG2 4.23Å |
| 310 | L | 91.7 | Very high | 90.6 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | trans | -123.1 | 131.5 | -171 | -68.8 | 174.7 | 0 | 0 | 0 | 112.4 | I303 L308 M325 T368 | I303-L310 PolarHBondContact O-N 3.09Å; L308-L310 HydrophobicContact CB-CD1 4.4Å; L308-L310 HydrophobicContact CB-CG 4.21Å; L308-L310 HydrophobicContact CD1-CD1 4.2Å; L310-M325 HydrophobicContact CD2-CE 4.46Å; L310-M325 HydrophobicContact CD2-CG 3.96Å; L310-M325 HydrophobicContact CD2-SD 4.31Å; L310-T368 HydrophobicContact CD1-CG2 3.91Å; L310-T368 HydrophobicContact CD2-CG2 3.8Å; L310-T368 HydrophobicContact CG-CG2 4.48Å | ||
| 311 | D | 93.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | trans | -58.9 | 136.2 | 177.9 | -68.7 | 19 | 0 | 0 | 0 | 111.8 | S263 G264 P320 A321 R322 | S263-D311 CarbonylContact O-C 3.48Å; S263-D311 VanDerWaalsContact O-CA 3.27Å; S263-D311 WeakPolarHBondContact O-CA 3.42Å; G264-D311 WeakPolarHBondContact CA-OD1 3.26Å; D311-P320 CarbonylContact O-C 3.58Å; D311-P320 VanDerWaalsContact O-CA 3.28Å; D311-P320 WeakPolarHBondContact O-CA 3.49Å; D311-A321 HydrophobicContact CB-CB 4.4Å; D311-A321 PolarHBondContact O-N 2.98Å; D311-R322 HydrophobicContact CB-CB 4.14Å; D311-R322 HydrophobicContact CB-CG 3.98Å; D311-R322 WeakPolarHBondContact OD2-CD 3.45Å; D311-R322 IonicContact OD2-CZ 4Å; D311-R322 IonicContact OD2-NE 3.17Å; D311-R322 PolarHBondContact OD2-NE 2.67Å; D311-R322 IonicContact OD2-NH1 2.67Å; D311-R322 PolarHBondContact OD2-NH1 2.87Å; D311-R322 IonicContact OD2-NH2 2.9Å | ||
| 312 | V | 95.3 | Very high | 90 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 159.8 | 178.3 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | L246 D262 S263 I303 P317 L319 | L246-V312 HydrophobicContact CD1-CG2 3.62Å; D262-V312 CarbonylContact C-O 3.5Å; S263-V312 PolarHBondContact N-O 3.04Å; S263-V312 PolarHBondContact O-N 3.06Å; I303-V312 HydrophobicContact CG1-CG2 3.88Å; V312-P317 HydrophobicContact CG2-CB 4.05Å; V312-L319 WeakPolarHBondContact CA-O 3.21Å; V312-L319 WeakPolarHBondContact CB-O 3.29Å |
| 313 | H | 95.4 | Very high | 89.6 | Confident | 77 Ų | 77 | 52.4 Ų | 52.4 | 36% | 0.356 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.1 | 174.3 | -66.5 | -59.5 | 0 | 0 | 0 | 111.7 | R261 H315 K316 P317 L319 A321 | R261-H313 WeakPolarHBondContact O-CA 3.37Å; H313-H315 PolarHBondContact O-N 3.05Å; H313-K316 HydrophobicContact CB-CB 4.48Å; H313-K316 CarbonylContact O-C 3.52Å; H313-K316 PolarHBondContact O-N 3.08Å; H313-P317 WeakPolarHBondContact O-CA 3.34Å; H313-P317 VanDerWaalsContact O-N 3.09Å; H313-L319 PolarHBondContact N-O 3.15Å; H313-A321 VanDerWaalsContact CE1-CB 3.46Å; H313-A321 WeakPolarHBondContact CE1-CB 3.35Å |
| 314 | I | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -37.2 | -177 | 64.9 | -172.9 | 0 | 0 | 0 | 113.5 | Q241 S244 L246 V247 W258 R261 S263 | Q241-I314 HydrophobicContact CB-CB 4.08Å; Q241-I314 HydrophobicContact CB-CG1 4.31Å; Q241-I314 HydrophobicContact CG-CB 4.46Å; Q241-I314 WeakPolarHBondContact CG-O 3.28Å; S244-I314 PolarHBondContact OG-O 3.43Å; L246-I314 HydrophobicContact CB-CB 4.19Å; L246-I314 HydrophobicContact CB-CG2 3.81Å; V247-I314 WeakPolarHBondContact O-CG2 3.42Å; W258-I314 HydrophobicContact CB-CD1 4.03Å; W258-I314 HydrophobicContact CD2-CD1 4.34Å; W258-I314 HydrophobicContact CG-CD1 3.71Å; R261-I314 HydrophobicContact CB-CD1 4.34Å; R261-I314 HydrophobicContact CB-CG1 4.38Å; R261-I314 HydrophobicContact CG-CD1 4.44Å; R261-I314 PolarHBondContact O-N 3.39Å; S263-I314 VanDerWaalsContact CB-CG2 3.46Å |
| 315 | H | 92.6 | Very high | 89.5 | Confident | 97 Ų | 97 | 53.5 Ų | 53.5 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -23.1 | -179.4 | -67.8 | 92.6 | 0 | 0 | 0 | 114 | Q241 H313 | Q241-H315 PolarHBondContact NE2-CD2 2.67Å; H313-H315 PolarHBondContact O-N 3.05Å |
| 316 | K | 93.4 | Very high | 89.9 | Confident | 138 Ų | 138 | 49 Ų | 49 | 60% | 0.6 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 66.6 | -176.5 | -66.4 | -177.5 | -178.5 | 174.2 | 0 | 108.8 | H313 L318 L319 | H313-K316 HydrophobicContact CB-CB 4.48Å; H313-K316 CarbonylContact O-C 3.52Å; H313-K316 PolarHBondContact O-N 3.08Å; K316-L318 PolarHBondContact O-N 2.78Å; K316-L319 HydrophobicContact CB-CD1 4.01Å; K316-L319 HydrophobicContact CB-CG 4.28Å; K316-L319 HydrophobicContact CD-CD1 3.74Å; K316-L319 PolarHBondContact O-N 2.97Å |
| 317 | P | 91.7 | Very high | 91 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 13% | 0.13 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 14.7 | -167 | 34.4 | -41.5 | 0 | 0 | 0 | 114.5 | L246 Y302 V312 H313 | L246-P317 HydrophobicContact CD1-CB 3.96Å; Y302-P317 HydrophobicContact CD1-CB 3.79Å; Y302-P317 HydrophobicContact CD1-CG 3.89Å; Y302-P317 HydrophobicContact CD2-CB 4.07Å; Y302-P317 HydrophobicContact CD2-CG 4.38Å; Y302-P317 HydrophobicContact CE1-CB 4.25Å; Y302-P317 HydrophobicContact CE1-CG 3.83Å; Y302-P317 HydrophobicContact CE2-CB 4.5Å; Y302-P317 HydrophobicContact CE2-CG 4.33Å; Y302-P317 HydrophobicContact CG-CB 3.69Å; Y302-P317 HydrophobicContact CG-CG 4.17Å; V312-P317 HydrophobicContact CG2-CB 4.05Å; H313-P317 WeakPolarHBondContact O-CA 3.34Å; H313-P317 VanDerWaalsContact O-N 3.09Å |
| 318 | L | 90.4 | Very high | 91.9 | Very high | 151 Ų | 151 | 45.4 Ų | 45.4 | 79% | 0.791 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 0.3 | 170.1 | -58.4 | 178.8 | 0 | 0 | 0 | 111.8 | Y302 K316 | Y302-L318 HydrophobicContact CD1-CD2 4.45Å; K316-L318 PolarHBondContact O-N 2.78Å |
| 319 | L | 91.1 | Very high | 92.2 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 47% | 0.466 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124 | 174.1 | -61.3 | -179.5 | 0 | 0 | 0 | 108.7 | V312 H313 K316 | V312-L319 WeakPolarHBondContact CA-O 3.21Å; V312-L319 WeakPolarHBondContact CB-O 3.29Å; H313-L319 PolarHBondContact N-O 3.15Å; K316-L319 HydrophobicContact CB-CD1 4.01Å; K316-L319 HydrophobicContact CB-CG 4.28Å; K316-L319 HydrophobicContact CD-CD1 3.74Å; K316-L319 PolarHBondContact O-N 2.97Å |
| 320 | P | 89.6 | Confident | 92.5 | Very high | 78 Ų | 78 | 44 Ų | 44 | 51% | 0.506 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 138.3 | 172.2 | 29.2 | -33.9 | 0 | 0 | 0 | 109.7 | D311 | D311-P320 CarbonylContact O-C 3.58Å; D311-P320 VanDerWaalsContact O-CA 3.28Å; D311-P320 WeakPolarHBondContact O-CA 3.49Å |
| 321 | A | 90.2 | Very high | 92.8 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -93.2 | -27.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D262 D311 H313 | D262-A321 HydrophobicContact CB-CB 3.6Å; D311-A321 HydrophobicContact CB-CB 4.4Å; D311-A321 PolarHBondContact O-N 2.98Å; H313-A321 VanDerWaalsContact CE1-CB 3.46Å; H313-A321 WeakPolarHBondContact CE1-CB 3.35Å |
| 322 | R | 86.8 | Confident | 92.9 | Very high | 37 Ų | 37 | 43.3 Ų | 43.3 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | trans | -128.1 | 160.7 | 175.2 | -54.5 | -173.9 | -170.7 | 162.8 | 8.5 | 110.4 | D262 D311 | D262-R322 IonicContact OD2-CZ 2.62Å; D262-R322 IonicContact OD2-NE 3.16Å; D262-R322 PolarHBondContact OD2-NE 3.37Å; D262-R322 IonicContact OD2-NH2 2.68Å; D262-R322 PolarHBondContact OD2-NH2 2.85Å; D311-R322 HydrophobicContact CB-CB 4.14Å; D311-R322 HydrophobicContact CB-CG 3.98Å; D311-R322 WeakPolarHBondContact OD2-CD 3.45Å; D311-R322 IonicContact OD2-CZ 4Å; D311-R322 IonicContact OD2-NE 3.17Å; D311-R322 PolarHBondContact OD2-NE 2.67Å; D311-R322 IonicContact OD2-NH1 2.67Å; D311-R322 PolarHBondContact OD2-NH1 2.87Å; D311-R322 IonicContact OD2-NH2 2.9Å | ||
| 323 | T | 87.1 | Confident | 93 | Very high | 103 Ų | 103 | 43.3 Ų | 43.3 | 63% | 0.632 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -113.1 | 11.1 | 178.2 | 54.5 | 0 | 0 | 0 | 0 | 113 | ||
| 324 | W | 90.8 | Very high | 93.1 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 165.4 | -177.5 | 53.5 | -99.8 | 0 | 0 | 0 | 109.6 | D326 A365 F366 H373 W374 | W324-D326 HydrophobicContact CZ3-CB 4.2Å; W324-A365 HydrophobicContact CD2-CB 4.39Å; W324-A365 HydrophobicContact CE3-CB 3.79Å; W324-A365 HydrophobicContact CZ3-CB 4.21Å; W324-F366 CarbonylContact C-O 3.49Å; W324-F366 VanDerWaalsContact CA-O 3.23Å; W324-F366 WeakPolarHBondContact CA-O 3.15Å; W324-F366 WeakPolarHBondContact CB-O 3.39Å; W324-H373 HydrophobicContact CB-CB 4.32Å; W324-H373 AromaticContact CD1-CD2 3.6Å; W324-H373 AromaticContact CD1-CE1 3.95Å; W324-H373 AromaticContact CD1-NE2 3.47Å; W324-H373 AromaticContact CD2-CD2 3.94Å; W324-H373 AromaticContact CG-CD2 3.67Å; W324-H373 AromaticContact NE1-CD2 3.8Å; W324-H373 AromaticContact NE1-NE2 3.46Å; W324-H373 PolarHBondContact NE1-NE2 3.23Å; W324-W374 AromaticContact CH2-CH2 3.35Å; W324-W374 HydrophobicContact CH2-CH2 3.35Å; W324-W374 HydrophobicContact CH2-CZ2 4.15Å; W324-W374 AromaticContact CH2-CZ3 3.63Å; W324-W374 HydrophobicContact CH2-CZ3 3.63Å; W324-W374 AromaticContact CZ2-CH2 3.54Å; W324-W374 HydrophobicContact CZ2-CH2 3.54Å; W324-W374 AromaticContact CZ2-CZ2 3.89Å; W324-W374 HydrophobicContact CZ2-CZ2 3.89Å; W324-W374 HydrophobicContact CZ2-CZ3 4.22Å; W324-W374 HydrophobicContact CZ3-CH2 4.12Å; W324-W374 AromaticContact CZ3-CZ3 3.95Å; W324-W374 HydrophobicContact CZ3-CZ3 3.95Å |
| 325 | M | 92.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.5 | 176.8 | -74.9 | 162.2 | -71.7 | 0 | 0 | 108.3 | L308 L309 L310 L329 M351 A365 F366 | L308-M325 HydrophobicContact CB-SD 4.42Å; L308-M325 HydrophobicContact CD2-CE 3.97Å; L308-M325 HydrophobicContact CD2-SD 4.35Å; L309-M325 WeakPolarHBondContact O-CG 3.41Å; L310-M325 HydrophobicContact CD2-CE 4.46Å; L310-M325 HydrophobicContact CD2-CG 3.96Å; L310-M325 HydrophobicContact CD2-SD 4.31Å; M325-L329 HydrophobicContact CB-CD2 3.7Å; M325-L329 HydrophobicContact CG-CD2 3.8Å; M325-L329 HydrophobicContact SD-CD2 4.48Å; M325-M351 HydrophobicContact SD-CE 4.48Å; M325-M351 HydrophobicContact SD-SD 4.46Å; M325-A365 CarbonylContact O-C 3.6Å; M325-A365 WeakPolarHBondContact O-CA 3.43Å; M325-A365 WeakPolarHBondContact O-CB 3.5Å; M325-F366 HydrophobicContact CB-CD1 4.49Å; M325-F366 HydrophobicContact CB-CE1 4.05Å; M325-F366 HydrophobicContact CB-CE2 4.18Å; M325-F366 HydrophobicContact CB-CZ 3.88Å; M325-F366 HydrophobicContact CE-CD2 3.79Å; M325-F366 HydrophobicContact CE-CE2 3.4Å; M325-F366 HydrophobicContact CE-CZ 4.16Å; M325-F366 PolarHBondContact N-O 3.47Å; M325-F366 PolarHBondContact O-N 3.31Å; M325-F366 HydrophobicContact SD-CE2 3.97Å; M325-F366 HydrophobicContact SD-CZ 4.18Å |
| 326 | D | 93.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 170.2 | 165.9 | 52.1 | 79.6 | 0 | 0 | 0 | 111.9 | G266 A267 W324 L328 L329 E364 | G266-D326 VanDerWaalsContact CA-OD1 3.29Å; G266-D326 WeakPolarHBondContact CA-OD1 3.19Å; A267-D326 PolarHBondContact N-OD1 3.39Å; A267-D326 PolarHBondContact N-OD2 2.69Å; W324-D326 HydrophobicContact CZ3-CB 4.2Å; D326-L328 HydrophobicContact CB-CD1 4.27Å; D326-L328 PolarHBondContact OD1-N 2.89Å; D326-L329 WeakPolarHBondContact O-CG 3.37Å; D326-L329 PolarHBondContact OD1-N 3.02Å; D326-L329 VanDerWaalsContact OD1-N 3.12Å; D326-E364 CarbonylContact C-O 3.54Å; D326-E364 WeakPolarHBondContact CA-O 3.47Å |
| 327 | S | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -76.3 | -27.4 | 173.1 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | L329 A330 E364 | S327-L329 PolarHBondContact O-N 3.44Å; S327-A330 WeakPolarHBondContact O-CB 3.4Å; S327-A330 PolarHBondContact O-N 3.03Å; S327-E364 PolarHBondContact N-O 3.46Å; S327-E364 PolarHBondContact OG-OE2 3.06Å |
| 328 | L | 94.4 | Very high | 93.5 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 17% | 0.173 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -65.4 | -29.9 | -170.6 | -67.2 | 84.6 | 0 | 0 | 0 | 111.6 | A267 D326 A330 F331 | A267-L328 HydrophobicContact CB-CD1 4.47Å; D326-L328 HydrophobicContact CB-CD1 4.27Å; D326-L328 PolarHBondContact OD1-N 2.89Å; L328-A330 PolarHBondContact O-N 3.37Å; L328-F331 WeakPolarHBondContact O-CD1 3.32Å; L328-F331 PolarHBondContact O-N 2.88Å |
| 329 | L | 95.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -54.1 | -12.7 | 171.4 | 76.7 | 75 | 0 | 0 | 0 | 114.9 | V265 L309 M325 D326 S327 F331 F332 L352 | V265-L329 HydrophobicContact CG2-CB 3.88Å; L309-L329 HydrophobicContact CB-CD2 4.43Å; L309-L329 HydrophobicContact CD1-CD1 4.46Å; M325-L329 HydrophobicContact CB-CD2 3.7Å; M325-L329 HydrophobicContact CG-CD2 3.8Å; M325-L329 HydrophobicContact SD-CD2 4.48Å; D326-L329 WeakPolarHBondContact O-CG 3.37Å; D326-L329 PolarHBondContact OD1-N 3.02Å; D326-L329 VanDerWaalsContact OD1-N 3.12Å; S327-L329 PolarHBondContact O-N 3.44Å; L329-F331 PolarHBondContact O-N 2.75Å; L329-F331 VanDerWaalsContact O-N 3.16Å; L329-F332 VanDerWaalsContact O-CB 3.28Å; L329-F332 WeakPolarHBondContact O-CB 3.11Å; L329-F332 PolarHBondContact O-N 3.35Å; L329-L352 HydrophobicContact CD1-CD1 4.37Å; L329-L352 HydrophobicContact CD1-CD2 4.06Å |
| 330 | A | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -63.3 | -11.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S327 L328 F332 P333 L352 L362 E382 F383 S386 | S327-A330 WeakPolarHBondContact O-CB 3.4Å; S327-A330 PolarHBondContact O-N 3.03Å; L328-A330 PolarHBondContact O-N 3.37Å; A330-F332 VanDerWaalsContact C-N 3.35Å; A330-P333 WeakPolarHBondContact O-CD 3.29Å; A330-L352 HydrophobicContact CB-CD1 3.76Å; A330-L352 HydrophobicContact CB-CD2 4.38Å; A330-L362 HydrophobicContact CB-CD2 3.83Å; A330-E382 CarbonylContact C-O 3.54Å; A330-E382 HydrophobicContact CB-CB 4.1Å; A330-E382 VanDerWaalsContact O-O 3.06Å; A330-F383 HydrophobicContact CB-CB 4.04Å; A330-S386 VanDerWaalsContact O-CB 3.26Å; A330-S386 WeakPolarHBondContact O-CB 3.32Å; A330-S386 PolarHBondContact O-OG 3.05Å |
| 331 | F | 97.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -71.5 | -28.7 | 169 | 92.2 | -67.6 | 0 | 0 | 0 | 112.4 | V265 D270 E274 L328 L329 G334 L335 E382 E385 S386 | V265-F331 WeakPolarHBondContact O-CE1 3.4Å; D270-F331 HydrophobicContact CB-CD1 4.42Å; D270-F331 HydrophobicContact CB-CE1 3.82Å; D270-F331 HydrophobicContact CB-CZ 4.03Å; D270-F331 VanDerWaalsContact O-CZ 3.31Å; D270-F331 WeakPolarHBondContact O-CZ 3.38Å; E274-F331 HydrophobicContact CB-CE2 3.92Å; E274-F331 HydrophobicContact CG-CD2 4.27Å; E274-F331 HydrophobicContact CG-CE2 4.09Å; L328-F331 WeakPolarHBondContact O-CD1 3.32Å; L328-F331 PolarHBondContact O-N 2.88Å; L329-F331 PolarHBondContact O-N 2.75Å; L329-F331 VanDerWaalsContact O-N 3.16Å; F331-G334 WeakPolarHBondContact O-CA 3.33Å; F331-G334 PolarHBondContact O-N 2.94Å; F331-L335 HydrophobicContact CE2-CB 4.32Å; F331-L335 HydrophobicContact CE2-CD2 3.86Å; F331-L335 HydrophobicContact CZ-CD2 4.26Å; F331-L335 PolarHBondContact O-N 2.73Å; F331-E382 HydrophobicContact CB-CB 3.99Å; F331-E382 HydrophobicContact CB-CG 4.36Å; F331-E385 WeakPolarHBondContact CA-OE2 3.49Å; F331-E385 VanDerWaalsContact CB-OE2 3.31Å; F331-E385 WeakPolarHBondContact CB-OE2 3.23Å; F331-S386 PolarHBondContact O-OG 2.97Å |
| 332 | F | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -35.5 | -167 | -166 | -105.4 | 0 | 0 | 0 | 114.2 | V265 Y296 I299 M300 L309 L329 A330 G334 L335 Q336 | V265-F332 HydrophobicContact CB-CD2 3.98Å; V265-F332 HydrophobicContact CB-CE2 4.35Å; V265-F332 HydrophobicContact CB-CG 4.2Å; V265-F332 HydrophobicContact CG1-CD1 4.41Å; V265-F332 HydrophobicContact CG1-CD2 3.78Å; V265-F332 HydrophobicContact CG1-CE1 4.28Å; V265-F332 HydrophobicContact CG1-CE2 3.64Å; V265-F332 HydrophobicContact CG1-CG 4.18Å; V265-F332 HydrophobicContact CG1-CZ 3.91Å; V265-F332 HydrophobicContact CG2-CB 4.47Å; V265-F332 HydrophobicContact CG2-CG 4.33Å; Y296-F332 HydrophobicContact CD2-CZ 4.06Å; Y296-F332 HydrophobicContact CE2-CE1 4.26Å; Y296-F332 AromaticContact CE2-CZ 3.75Å; Y296-F332 HydrophobicContact CE2-CZ 3.75Å; I299-F332 HydrophobicContact CD1-CE2 4.32Å; I299-F332 HydrophobicContact CD1-CZ 4.38Å; I299-F332 HydrophobicContact CG2-CE1 4.2Å; I299-F332 HydrophobicContact CG2-CE2 4.48Å; I299-F332 HydrophobicContact CG2-CZ 3.73Å; M300-F332 HydrophobicContact SD-CE1 4.49Å; L309-F332 HydrophobicContact CD1-CB 4.42Å; L309-F332 HydrophobicContact CD1-CD1 3.65Å; L309-F332 HydrophobicContact CD1-CE1 4.31Å; L309-F332 HydrophobicContact CD1-CG 4.31Å; L329-F332 VanDerWaalsContact O-CB 3.28Å; L329-F332 WeakPolarHBondContact O-CB 3.11Å; L329-F332 PolarHBondContact O-N 3.35Å; A330-F332 VanDerWaalsContact C-N 3.35Å; F332-G334 VanDerWaalsContact C-N 3.29Å; F332-G334 PolarHBondContact O-N 2.92Å; F332-L335 HydrophobicContact CD2-CD2 4.13Å; F332-L335 HydrophobicContact CE2-CD2 4.17Å; F332-L335 PolarHBondContact O-N 3.34Å; F332-Q336 HydrophobicContact CD1-CG 3.95Å; F332-Q336 HydrophobicContact CE1-CG 3.77Å; F332-Q336 HydrophobicContact CZ-CG 4.31Å; F332-Q336 WeakPolarHBondContact O-CB 3.45Å; F332-Q336 VanDerWaalsContact O-CG 3.31Å; F332-Q336 WeakPolarHBondContact O-CG 3.33Å; F332-Q336 PolarHBondContact O-N 2.79Å |
| 333 | P | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.2 | -34.8 | 169.8 | -24.5 | 34.9 | 0 | 0 | 0 | 113.8 | A330 Q336 V337 A345 T348 H349 L352 S386 L390 | A330-P333 WeakPolarHBondContact O-CD 3.29Å; P333-Q336 WeakPolarHBondContact O-CB 3.3Å; P333-Q336 PolarHBondContact O-N 3.37Å; P333-V337 WeakPolarHBondContact O-CG2 3.36Å; P333-V337 PolarHBondContact O-N 3.04Å; P333-A345 HydrophobicContact CB-CB 3.99Å; P333-A345 WeakPolarHBondContact O-CB 3.15Å; P333-T348 HydrophobicContact CG-CG2 4.01Å; P333-H349 HydrophobicContact CB-CB 4.33Å; P333-H349 HydrophobicContact CG-CB 4.48Å; P333-L352 HydrophobicContact CG-CD1 4.3Å; P333-S386 WeakPolarHBondContact CD-OG 3.27Å; P333-L390 HydrophobicContact CB-CD1 4.36Å |
| 334 | G | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F331 F332 Q336 V337 L338 S386 | F331-G334 WeakPolarHBondContact O-CA 3.33Å; F331-G334 PolarHBondContact O-N 2.94Å; F332-G334 VanDerWaalsContact C-N 3.29Å; F332-G334 PolarHBondContact O-N 2.92Å; G334-Q336 VanDerWaalsContact C-N 3.3Å; G334-Q336 PolarHBondContact O-N 2.96Å; G334-V337 WeakPolarHBondContact O-CA 3.27Å; G334-V337 WeakPolarHBondContact O-CB 3.28Å; G334-V337 PolarHBondContact O-N 3.48Å; G334-L338 PolarHBondContact O-N 3.37Å; G334-S386 PolarHBondContact N-OG 3.07Å |
| 335 | L | 96.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 173.5 | -171.4 | 64.1 | 0 | 0 | 0 | 112.6 | E274 L277 F292 F331 F332 L338 K339 | E274-L335 HydrophobicContact CB-CD1 4.48Å; E274-L335 HydrophobicContact CB-CD2 4.49Å; E274-L335 HydrophobicContact CG-CD1 4.21Å; L277-L335 HydrophobicContact CB-CD1 4.03Å; L277-L335 HydrophobicContact CD2-CD1 3.81Å; F292-L335 HydrophobicContact CE2-CD1 4.42Å; F292-L335 HydrophobicContact CE2-CD2 3.94Å; F292-L335 HydrophobicContact CE2-CG 4.17Å; F292-L335 HydrophobicContact CZ-CD1 4.46Å; F292-L335 HydrophobicContact CZ-CD2 4.44Å; F292-L335 HydrophobicContact CZ-CG 4.19Å; F331-L335 HydrophobicContact CE2-CB 4.32Å; F331-L335 HydrophobicContact CE2-CD2 3.86Å; F331-L335 HydrophobicContact CZ-CD2 4.26Å; F331-L335 PolarHBondContact O-N 2.73Å; F332-L335 HydrophobicContact CD2-CD2 4.13Å; F332-L335 HydrophobicContact CE2-CD2 4.17Å; F332-L335 PolarHBondContact O-N 3.34Å; L335-L338 PolarHBondContact O-N 3.09Å; L335-K339 PolarHBondContact O-N 3.4Å |
| 336 | Q | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.3 | -36.9 | 172.2 | -75 | -177.2 | -45.4 | 0 | 0 | 112.4 | Y296 M300 F332 P333 G334 K339 G340 D341 A345 | Y296-Q336 HydrophobicContact CE2-CG 3.86Å; Y296-Q336 WeakPolarHBondContact OH-CG 3.18Å; Y296-Q336 PolarHBondContact OH-NE2 3.09Å; M300-Q336 PolarHBondContact SD-NE2 3.08Å; F332-Q336 HydrophobicContact CD1-CG 3.95Å; F332-Q336 HydrophobicContact CE1-CG 3.77Å; F332-Q336 HydrophobicContact CZ-CG 4.31Å; F332-Q336 WeakPolarHBondContact O-CB 3.45Å; F332-Q336 VanDerWaalsContact O-CG 3.31Å; F332-Q336 WeakPolarHBondContact O-CG 3.33Å; F332-Q336 PolarHBondContact O-N 2.79Å; P333-Q336 WeakPolarHBondContact O-CB 3.3Å; P333-Q336 PolarHBondContact O-N 3.37Å; G334-Q336 VanDerWaalsContact C-N 3.3Å; G334-Q336 PolarHBondContact O-N 2.96Å; Q336-K339 PolarHBondContact O-N 3.43Å; Q336-G340 PolarHBondContact O-N 2.93Å; Q336-D341 PolarHBondContact O-N 3.32Å; Q336-A345 HydrophobicContact CB-CB 3.83Å |
| 337 | V | 94.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 21.4 Ų | 21.4 | 10% | 0.097 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 172.3 | 169 | 0 | 0 | 0 | 0 | 111.6 | P333 G334 K339 G340 I342 A345 F389 L390 A393 | P333-V337 WeakPolarHBondContact O-CG2 3.36Å; P333-V337 PolarHBondContact O-N 3.04Å; G334-V337 WeakPolarHBondContact O-CA 3.27Å; G334-V337 WeakPolarHBondContact O-CB 3.28Å; G334-V337 PolarHBondContact O-N 3.48Å; V337-K339 PolarHBondContact O-N 3.48Å; V337-G340 WeakPolarHBondContact O-CA 3.17Å; V337-G340 PolarHBondContact O-N 3.38Å; V337-I342 HydrophobicContact CB-CD1 4.29Å; V337-I342 HydrophobicContact CG1-CD1 4.18Å; V337-I342 HydrophobicContact CG2-CD1 4.13Å; V337-A345 HydrophobicContact CG2-CB 4.13Å; V337-F389 HydrophobicContact CB-CB 4.14Å; V337-F389 HydrophobicContact CG1-CB 4Å; V337-L390 HydrophobicContact CG2-CD2 3.5Å; V337-L390 VanDerWaalsContact CG2-CD2 3.5Å; V337-L390 HydrophobicContact CG2-CG 3.8Å; V337-A393 HydrophobicContact CG1-CB 3.58Å |
| 338 | L | 93.3 | Very high | 93.7 | Very high | 63 Ų | 63 | 21.5 Ų | 21.5 | 33% | 0.33 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -60.5 | -34.7 | 174.5 | -70.1 | 174 | 0 | 0 | 0 | 112.2 | L277 G334 L335 G340 F389 | L277-L338 HydrophobicContact CD2-CB 3.72Å; G334-L338 PolarHBondContact O-N 3.37Å; L335-L338 PolarHBondContact O-N 3.09Å; L338-G340 VanDerWaalsContact C-N 3.29Å; L338-G340 PolarHBondContact O-N 2.73Å; L338-F389 HydrophobicContact CD1-CZ 4.35Å; L338-F389 HydrophobicContact CD2-CD1 4.15Å; L338-F389 HydrophobicContact CD2-CE1 3.79Å; L338-F389 HydrophobicContact CD2-CZ 4.37Å; L338-F389 HydrophobicContact CG-CD1 4.45Å; L338-F389 HydrophobicContact CG-CE1 4.29Å |
| 339 | K | 92.3 | Very high | 93.7 | Very high | 69 Ų | 69 | 20 Ų | 20 | 30% | 0.3 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -70.3 | -22.1 | 170.5 | -179 | 170.4 | 173.7 | 52.7 | 0 | 113.6 | L277 F292 N293 Y296 L335 Q336 V337 | L277-K339 HydrophobicContact CD2-CB 4.37Å; F292-K339 HydrophobicContact CE1-CB 4.02Å; F292-K339 HydrophobicContact CE1-CD 3.68Å; F292-K339 HydrophobicContact CE1-CG 4.01Å; F292-K339 HydrophobicContact CZ-CB 4.25Å; F292-K339 HydrophobicContact CZ-CD 4.08Å; N293-K339 PolarHBondContact OD1-NZ 3.21Å; Y296-K339 HydrophobicContact CD1-CD 3.54Å; Y296-K339 HydrophobicContact CD2-CD 3.84Å; Y296-K339 HydrophobicContact CE1-CD 3.63Å; Y296-K339 HydrophobicContact CE2-CD 3.97Å; Y296-K339 HydrophobicContact CG-CD 3.64Å; L335-K339 PolarHBondContact O-N 3.4Å; Q336-K339 PolarHBondContact O-N 3.43Å; V337-K339 PolarHBondContact O-N 3.48Å |
| 340 | G | 90.1 | Very high | 93.6 | Very high | 16 Ų | 16 | 19.9 Ų | 19.9 | 17% | 0.165 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 6.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q336 V337 L338 I342 | Q336-G340 PolarHBondContact O-N 2.93Å; V337-G340 WeakPolarHBondContact O-CA 3.17Å; V337-G340 PolarHBondContact O-N 3.38Å; L338-G340 VanDerWaalsContact C-N 3.29Å; L338-G340 PolarHBondContact O-N 2.73Å; G340-I342 VanDerWaalsContact C-N 3.31Å; G340-I342 PolarHBondContact O-N 2.87Å; G340-I342 VanDerWaalsContact O-N 3.13Å |
| 341 | D | 90.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 19.9 Ų | 19.9 | 28% | 0.278 | 10% | 0.096 | S | C | . | . | trans | -88.8 | 66.1 | 178 | -166.2 | 6.8 | 0 | 0 | 0 | 111 | Y296 Q336 R343 P344 | Y296-D341 WeakPolarHBondContact CE1-OD2 3.33Å; Y296-D341 PolarHBondContact OH-OD2 2.75Å; Q336-D341 PolarHBondContact O-N 3.32Å; D341-R343 VanDerWaalsContact C-N 3.28Å; D341-R343 PolarHBondContact O-N 3.36Å; D341-P344 WeakPolarHBondContact O-CD 3.47Å; D341-P344 WeakPolarHBondContact OD1-CD 3.44Å | ||
| 342 | I | 89.8 | Confident | 93.3 | Very high | 10 Ų | 10 | 19.5 Ų | 19.5 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68 | -24.6 | -166.7 | -39.2 | -57.6 | 0 | 0 | 0 | 112.9 | V337 G340 A345 I346 L390 A393 T394 L511 F512 | V337-I342 HydrophobicContact CB-CD1 4.29Å; V337-I342 HydrophobicContact CG1-CD1 4.18Å; V337-I342 HydrophobicContact CG2-CD1 4.13Å; G340-I342 VanDerWaalsContact C-N 3.31Å; G340-I342 PolarHBondContact O-N 2.87Å; G340-I342 VanDerWaalsContact O-N 3.13Å; I342-A345 WeakPolarHBondContact O-CB 3.21Å; I342-A345 PolarHBondContact O-N 3.38Å; I342-I346 HydrophobicContact CG2-CD1 4.03Å; I342-I346 HydrophobicContact CG2-CG1 4.28Å; I342-I346 WeakPolarHBondContact O-CD1 3.46Å; I342-I346 VanDerWaalsContact O-CG1 3.26Å; I342-I346 WeakPolarHBondContact O-CG1 3.35Å; I342-I346 PolarHBondContact O-N 3.42Å; I342-L390 HydrophobicContact CG2-CD2 4.17Å; I342-A393 HydrophobicContact CD1-CB 4.45Å; I342-T394 HydrophobicContact CG2-CG2 3.91Å; I342-L511 HydrophobicContact CG1-CD1 4.33Å; I342-F512 HydrophobicContact CB-CE2 4.3Å; I342-F512 HydrophobicContact CB-CZ 3.84Å; I342-F512 HydrophobicContact CG1-CE2 4.25Å; I342-F512 HydrophobicContact CG1-CZ 4.28Å; I342-F512 HydrophobicContact CG2-CE2 4.11Å; I342-F512 HydrophobicContact CG2-CZ 3.66Å |
| 343 | R | 87.7 | Confident | 93.2 | Very high | 137 Ų | 137 | 19.8 Ų | 19.8 | 52% | 0.517 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -69.9 | -54.6 | -173.3 | 166 | 172.3 | 179.3 | -148.7 | -13.2 | 112.7 | D341 A345 I346 E347 L521 | D341-R343 VanDerWaalsContact C-N 3.28Å; D341-R343 PolarHBondContact O-N 3.36Å; R343-A345 PolarHBondContact O-N 2.85Å; R343-I346 PolarHBondContact O-N 2.89Å; R343-I346 VanDerWaalsContact O-N 3.17Å; R343-E347 IonicContact CZ-OE1 3.78Å; R343-E347 IonicContact NE-OE1 3.5Å; R343-E347 PolarHBondContact NE-OE1 2.85Å; R343-E347 IonicContact NH2-OE1 3.47Å; R343-E347 PolarHBondContact NH2-OE1 3.1Å; R343-E347 PolarHBondContact O-N 2.84Å; R343-E347 VanDerWaalsContact O-N 3.1Å; R343-L521 HydrophobicContact CB-CD1 4.37Å; R343-L521 HydrophobicContact CG-CD1 3.91Å; R343-L521 HydrophobicContact CG-CD2 4.29Å |
| 344 | P | 90.8 | Very high | 93 | Very high | 16 Ų | 16 | 20.6 Ų | 20.6 | 10% | 0.104 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.6 | -31.1 | 174.2 | -26 | 37 | 0 | 0 | 0 | 112.9 | M300 D341 E347 T348 | M300-P344 HydrophobicContact CE-CB 3.81Å; M300-P344 HydrophobicContact CE-CG 3.75Å; D341-P344 WeakPolarHBondContact O-CD 3.47Å; D341-P344 WeakPolarHBondContact OD1-CD 3.44Å; P344-E347 PolarHBondContact O-N 2.91Å; P344-T348 WeakPolarHBondContact O-CB 3.31Å; P344-T348 PolarHBondContact O-N 2.93Å; P344-T348 PolarHBondContact O-OG1 3.2Å |
| 345 | A | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62 | -46.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P333 Q336 V337 I342 R343 T348 H349 L390 | P333-A345 HydrophobicContact CB-CB 3.99Å; P333-A345 WeakPolarHBondContact O-CB 3.15Å; Q336-A345 HydrophobicContact CB-CB 3.83Å; V337-A345 HydrophobicContact CG2-CB 4.13Å; I342-A345 WeakPolarHBondContact O-CB 3.21Å; I342-A345 PolarHBondContact O-N 3.38Å; R343-A345 PolarHBondContact O-N 2.85Å; A345-T348 PolarHBondContact O-N 2.87Å; A345-H349 WeakPolarHBondContact O-CB 3.47Å; A345-H349 PolarHBondContact O-N 3.28Å; A345-L390 HydrophobicContact CB-CD2 3.94Å |
| 346 | I | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.3 | -64.8 | 160.3 | 0 | 0 | 0 | 111.2 | I342 R343 E350 L390 F512 P518 L521 R522 | I342-I346 HydrophobicContact CG2-CD1 4.03Å; I342-I346 HydrophobicContact CG2-CG1 4.28Å; I342-I346 WeakPolarHBondContact O-CD1 3.46Å; I342-I346 VanDerWaalsContact O-CG1 3.26Å; I342-I346 WeakPolarHBondContact O-CG1 3.35Å; I342-I346 PolarHBondContact O-N 3.42Å; R343-I346 PolarHBondContact O-N 2.89Å; R343-I346 VanDerWaalsContact O-N 3.17Å; I346-E350 WeakPolarHBondContact O-CB 3.48Å; I346-E350 PolarHBondContact O-N 3.18Å; I346-E350 VanDerWaalsContact O-N 3.1Å; I346-L390 HydrophobicContact CG1-CD2 4.14Å; I346-F512 HydrophobicContact CD1-CE1 4.21Å; I346-F512 HydrophobicContact CD1-CZ 4.27Å; I346-P518 HydrophobicContact CD1-CB 4.25Å; I346-L521 HydrophobicContact CB-CD1 4.11Å; I346-L521 HydrophobicContact CD1-CD1 3.9Å; I346-L521 HydrophobicContact CG2-CB 3.95Å; I346-L521 HydrophobicContact CG2-CD1 4Å; I346-R522 HydrophobicContact CG2-CG 4.05Å |
| 347 | E | 91.3 | Very high | 92.6 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 11% | 0.112 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | -178.6 | -68.9 | 176.4 | -174.2 | 0 | 0 | 111.8 | R343 P344 M351 L521 I525 | R343-E347 IonicContact CZ-OE1 3.78Å; R343-E347 IonicContact NE-OE1 3.5Å; R343-E347 PolarHBondContact NE-OE1 2.85Å; R343-E347 IonicContact NH2-OE1 3.47Å; R343-E347 PolarHBondContact NH2-OE1 3.1Å; R343-E347 PolarHBondContact O-N 2.84Å; R343-E347 VanDerWaalsContact O-N 3.1Å; P344-E347 PolarHBondContact O-N 2.91Å; E347-M351 PolarHBondContact O-N 3.37Å; E347-L521 HydrophobicContact CG-CB 4.39Å; E347-I525 HydrophobicContact CB-CD1 4.02Å; E347-I525 HydrophobicContact CG-CD1 4.33Å; E347-I525 VanDerWaalsContact O-CD1 3.29Å; E347-I525 WeakPolarHBondContact O-CD1 3.14Å |
| 348 | T | 93.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -75.4 | -43.5 | 180 | -50.1 | 0 | 0 | 0 | 0 | 112 | L309 P333 P344 A345 E350 M351 L352 | L309-T348 HydrophobicContact CD1-CG2 3.99Å; L309-T348 HydrophobicContact CG-CG2 4.23Å; P333-T348 HydrophobicContact CG-CG2 4.01Å; P344-T348 WeakPolarHBondContact O-CB 3.31Å; P344-T348 PolarHBondContact O-N 2.93Å; P344-T348 PolarHBondContact O-OG1 3.2Å; A345-T348 PolarHBondContact O-N 2.87Å; T348-E350 PolarHBondContact O-N 2.85Å; T348-M351 WeakPolarHBondContact O-CB 3.48Å; T348-M351 PolarHBondContact O-N 3.22Å; T348-L352 HydrophobicContact CG2-CD1 4.41Å; T348-L352 WeakPolarHBondContact O-CG 3.17Å; T348-L352 PolarHBondContact O-N 2.81Å; T348-L352 VanDerWaalsContact O-N 3.08Å |
| 349 | H | 95.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 178.1 | -178.7 | -86.7 | 0 | 0 | 0 | 112.4 | P333 A345 M351 L352 Y353 F383 T387 L390 Y399 | P333-H349 HydrophobicContact CB-CB 4.33Å; P333-H349 HydrophobicContact CG-CB 4.48Å; A345-H349 WeakPolarHBondContact O-CB 3.47Å; A345-H349 PolarHBondContact O-N 3.28Å; H349-M351 VanDerWaalsContact C-N 3.32Å; H349-M351 PolarHBondContact O-N 3.02Å; H349-L352 PolarHBondContact O-N 3.28Å; H349-Y353 WeakPolarHBondContact O-CB 3.46Å; H349-Y353 PolarHBondContact O-N 2.85Å; H349-F383 AromaticContact CD2-CE2 3.64Å; H349-F383 AromaticContact CE1-CE2 3.82Å; H349-F383 AromaticContact CE1-CZ 3.92Å; H349-F383 AromaticContact NE2-CD2 4Å; H349-F383 AromaticContact NE2-CE2 3.33Å; H349-F383 VanDerWaalsContact NE2-CE2 3.33Å; H349-F383 WeakPolarHBondContact NE2-CE2 3.42Å; H349-F383 AromaticContact NE2-CZ 3.7Å; H349-T387 PolarHBondContact NE2-OG1 2.85Å; H349-L390 HydrophobicContact CB-CD1 3.4Å; H349-L390 VanDerWaalsContact CG-CD1 3.43Å; H349-Y399 AromaticContact CE1-CD1 3.75Å; H349-Y399 AromaticContact CE1-CE1 3.83Å; H349-Y399 AromaticContact ND1-CD1 3.99Å; H349-Y399 AromaticContact ND1-CE1 3.58Å |
| 350 | E | 93.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.1 | 176.9 | 64.2 | -171.5 | 0 | 0 | 111.7 | I346 T348 Y353 Q354 Y398 R522 I525 R526 | I346-E350 WeakPolarHBondContact O-CB 3.48Å; I346-E350 PolarHBondContact O-N 3.18Å; I346-E350 VanDerWaalsContact O-N 3.1Å; T348-E350 PolarHBondContact O-N 2.85Å; E350-Y353 PolarHBondContact O-N 2.83Å; E350-Q354 WeakPolarHBondContact O-CG 3.48Å; E350-Q354 PolarHBondContact O-N 3.11Å; E350-Q354 PolarHBondContact OE1-NE2 3.16Å; E350-Y398 VanDerWaalsContact CD-OH 3.31Å; E350-Y398 PolarHBondContact OE1-OH 2.82Å; E350-Y398 WeakPolarHBondContact OE2-CE1 3.26Å; E350-Y398 VanDerWaalsContact OE2-CZ 3.24Å; E350-Y398 PolarHBondContact OE2-OH 3.32Å; E350-R522 HydrophobicContact CB-CG 4.03Å; E350-R522 HydrophobicContact CG-CB 3.9Å; E350-R522 HydrophobicContact CG-CG 3.92Å; E350-I525 HydrophobicContact CB-CG2 4.39Å; E350-I525 HydrophobicContact CG-CB 3.85Å; E350-I525 HydrophobicContact CG-CG2 3.84Å; E350-R526 WeakPolarHBondContact OE1-CB 3.41Å |
| 351 | M | 93.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60 | -51.1 | 174.2 | 178.2 | -146 | 64.1 | 0 | 0 | 110.9 | P307 L308 M325 E347 T348 H349 Y353 Q354 V355 F366 F370 I525 | P307-M351 HydrophobicContact CB-CB 3.97Å; P307-M351 HydrophobicContact CB-CG 4.46Å; P307-M351 HydrophobicContact CG-CB 4.32Å; P307-M351 HydrophobicContact CG-CG 4.4Å; P307-M351 VanDerWaalsContact O-SD 3.41Å; L308-M351 HydrophobicContact CD2-SD 3.71Å; M325-M351 HydrophobicContact SD-CE 4.48Å; M325-M351 HydrophobicContact SD-SD 4.46Å; E347-M351 PolarHBondContact O-N 3.37Å; T348-M351 WeakPolarHBondContact O-CB 3.48Å; T348-M351 PolarHBondContact O-N 3.22Å; H349-M351 VanDerWaalsContact C-N 3.32Å; H349-M351 PolarHBondContact O-N 3.02Å; M351-Y353 VanDerWaalsContact C-N 3.3Å; M351-Y353 PolarHBondContact O-N 2.6Å; M351-Q354 PolarHBondContact O-N 3.37Å; M351-Q354 VanDerWaalsContact O-N 3.17Å; M351-V355 WeakPolarHBondContact O-CG2 3.44Å; M351-V355 PolarHBondContact O-N 3.4Å; M351-F366 HydrophobicContact CE-CE2 4.03Å; M351-F366 HydrophobicContact CE-CZ 3.91Å; M351-F366 HydrophobicContact SD-CE2 4.38Å; M351-F370 HydrophobicContact CG-CD1 4.32Å; M351-F370 HydrophobicContact CG-CE1 3.49Å; M351-F370 VanDerWaalsContact CG-CE1 3.49Å; M351-F370 HydrophobicContact CG-CZ 4.07Å; M351-F370 HydrophobicContact SD-CE1 3.75Å; M351-I525 HydrophobicContact CB-CG2 4.17Å |
| 352 | L | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.6 | -44.4 | 177.1 | -66.5 | 166.2 | 0 | 0 | 0 | 111.3 | L329 A330 P333 T348 H349 Q354 V355 T356 L362 F366 F383 | L329-L352 HydrophobicContact CD1-CD1 4.37Å; L329-L352 HydrophobicContact CD1-CD2 4.06Å; A330-L352 HydrophobicContact CB-CD1 3.76Å; A330-L352 HydrophobicContact CB-CD2 4.38Å; P333-L352 HydrophobicContact CG-CD1 4.3Å; T348-L352 HydrophobicContact CG2-CD1 4.41Å; T348-L352 WeakPolarHBondContact O-CG 3.17Å; T348-L352 PolarHBondContact O-N 2.81Å; T348-L352 VanDerWaalsContact O-N 3.08Å; H349-L352 PolarHBondContact O-N 3.28Å; L352-Q354 VanDerWaalsContact C-N 3.34Å; L352-Q354 PolarHBondContact O-N 2.9Å; L352-V355 WeakPolarHBondContact O-CB 3.26Å; L352-V355 PolarHBondContact O-N 2.92Å; L352-V355 VanDerWaalsContact O-N 3.13Å; L352-T356 PolarHBondContact O-N 3.16Å; L352-T356 PolarHBondContact O-OG1 3.24Å; L352-T356 VanDerWaalsContact O-OG1 3.12Å; L352-L362 HydrophobicContact CD2-CD1 3.84Å; L352-L362 HydrophobicContact CD2-CD2 3.96Å; L352-F366 HydrophobicContact CD2-CE1 4.27Å; L352-F366 HydrophobicContact CD2-CZ 3.87Å; L352-F383 HydrophobicContact CB-CD2 3.82Å; L352-F383 HydrophobicContact CB-CE2 3.76Å; L352-F383 HydrophobicContact CD1-CD2 4.43Å |
| 353 | Y | 95.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 2% | 0.02 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.5 | -36.1 | 178.9 | -171.2 | -161.7 | 0 | 0 | 0 | 112.9 | H349 E350 M351 K357 F383 Y398 E401 A402 T405 | H349-Y353 WeakPolarHBondContact O-CB 3.46Å; H349-Y353 PolarHBondContact O-N 2.85Å; E350-Y353 PolarHBondContact O-N 2.83Å; M351-Y353 VanDerWaalsContact C-N 3.3Å; M351-Y353 PolarHBondContact O-N 2.6Å; Y353-K357 HydrophobicContact CD2-CD 4.15Å; Y353-K357 HydrophobicContact CD2-CG 4.22Å; Y353-K357 HydrophobicContact CE2-CD 3.96Å; Y353-K357 HydrophobicContact CE2-CG 4.11Å; Y353-K357 WeakPolarHBondContact O-CB 3.35Å; Y353-K357 WeakPolarHBondContact O-CG 3.23Å; Y353-K357 PolarHBondContact O-N 3.22Å; Y353-K357 WeakPolarHBondContact OH-CE 3.41Å; Y353-K357 PolarHBondContact OH-NZ 2.68Å; Y353-F383 HydrophobicContact CD2-CE1 4.44Å; Y353-F383 AromaticContact CD2-CZ 3.98Å; Y353-F383 HydrophobicContact CD2-CZ 3.98Å; Y353-F383 HydrophobicContact CG-CZ 4.07Å; Y353-Y398 AromaticContact CD1-CE1 3.62Å; Y353-Y398 HydrophobicContact CD1-CE1 3.62Å; Y353-Y398 AromaticContact CD1-CZ 3.75Å; Y353-Y398 WeakPolarHBondContact CD1-OH 3.47Å; Y353-Y398 HydrophobicContact CE1-CD1 4.33Å; Y353-Y398 AromaticContact CE1-CE1 3.58Å; Y353-Y398 HydrophobicContact CE1-CE1 3.58Å; Y353-Y398 HydrophobicContact CE1-CE2 4.18Å; Y353-Y398 AromaticContact CE1-CZ 3.5Å; Y353-Y398 VanDerWaalsContact CE1-CZ 3.5Å; Y353-E401 PolarHBondContact OH-O 3.36Å; Y353-A402 HydrophobicContact CD1-CB 4.2Å; Y353-A402 HydrophobicContact CD2-CB 4.33Å; Y353-A402 HydrophobicContact CE1-CB 3.71Å; Y353-A402 HydrophobicContact CE2-CB 3.9Å; Y353-A402 HydrophobicContact CG-CB 4.48Å; Y353-A402 VanDerWaalsContact CZ-CA 3.42Å; Y353-A402 WeakPolarHBondContact OH-CA 3.4Å; Y353-A402 PolarHBondContact OH-N 2.88Å; Y353-T405 HydrophobicContact CE2-CG2 4.26Å; Y353-T405 PolarHBondContact OH-OG1 2.69Å |
| 354 | Q | 92.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 17.2 Ų | 17.2 | 8% | 0.084 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72.1 | -32.5 | 173.7 | -63.9 | -54.4 | -24.7 | 0 | 0 | 112.6 | E350 M351 L352 K357 K358 V529 | E350-Q354 WeakPolarHBondContact O-CG 3.48Å; E350-Q354 PolarHBondContact O-N 3.11Å; E350-Q354 PolarHBondContact OE1-NE2 3.16Å; M351-Q354 PolarHBondContact O-N 3.37Å; M351-Q354 VanDerWaalsContact O-N 3.17Å; L352-Q354 VanDerWaalsContact C-N 3.34Å; L352-Q354 PolarHBondContact O-N 2.9Å; Q354-K357 PolarHBondContact O-N 3.47Å; Q354-K358 WeakPolarHBondContact O-CB 3.17Å; Q354-K358 PolarHBondContact O-N 3.22Å; Q354-K358 VanDerWaalsContact O-N 3.08Å; Q354-V529 HydrophobicContact CB-CB 3.93Å; Q354-V529 HydrophobicContact CB-CG1 4.37Å; Q354-V529 HydrophobicContact CB-CG2 3.47Å; Q354-V529 VanDerWaalsContact CB-CG2 3.47Å; Q354-V529 HydrophobicContact CG-CG2 4.41Å |
| 355 | V | 93.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.7 | -48.6 | 170.4 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | M351 L352 K357 K358 H359 L362 P363 F366 F370 | M351-V355 WeakPolarHBondContact O-CG2 3.44Å; M351-V355 PolarHBondContact O-N 3.4Å; L352-V355 WeakPolarHBondContact O-CB 3.26Å; L352-V355 PolarHBondContact O-N 2.92Å; L352-V355 VanDerWaalsContact O-N 3.13Å; V355-K357 VanDerWaalsContact C-N 3.32Å; V355-K357 PolarHBondContact O-N 2.78Å; V355-K358 WeakPolarHBondContact O-CB 3.47Å; V355-K358 PolarHBondContact O-N 2.64Å; V355-H359 PolarHBondContact O-CD2 3.08Å; V355-H359 PolarHBondContact O-N 3.17Å; V355-H359 VanDerWaalsContact O-N 3.09Å; V355-L362 HydrophobicContact CB-CD1 4.08Å; V355-L362 HydrophobicContact CG1-CD1 3.84Å; V355-P363 HydrophobicContact CG1-CG 4.24Å; V355-F366 HydrophobicContact CG1-CD1 4.44Å; V355-F366 HydrophobicContact CG1-CD2 4.39Å; V355-F366 HydrophobicContact CG1-CG 4.24Å; V355-F366 HydrophobicContact CG2-CD2 4.09Å; V355-F366 HydrophobicContact CG2-CE2 3.99Å; V355-F370 HydrophobicContact CG2-CB 4.21Å; V355-F370 HydrophobicContact CG2-CD1 3.67Å; V355-F370 HydrophobicContact CG2-CG 4.27Å |
| 356 | T | 94 | Very high | 93.6 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 4% | 0.043 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.7 | -39.5 | 175.3 | -59.8 | 0 | 0 | 0 | 0 | 112 | L352 K358 N360 F383 | L352-T356 PolarHBondContact O-N 3.16Å; L352-T356 PolarHBondContact O-OG1 3.24Å; L352-T356 VanDerWaalsContact O-OG1 3.12Å; T356-K358 VanDerWaalsContact C-N 3.34Å; T356-K358 PolarHBondContact O-N 2.89Å; T356-N360 CarbonylContact O-C 3.18Å; T356-N360 WeakPolarHBondContact O-CA 3.46Å; T356-N360 PolarHBondContact O-N 3.42Å; T356-F383 HydrophobicContact CG2-CE1 4.35Å |
| 357 | K | 92.1 | Very high | 93.5 | Very high | 81 Ų | 81 | 17.9 Ų | 17.9 | 35% | 0.352 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -67.1 | -30.6 | 174.1 | -84.5 | 171.3 | 169.4 | 155.7 | 0 | 114.1 | Y353 Q354 V355 | Y353-K357 HydrophobicContact CD2-CD 4.15Å; Y353-K357 HydrophobicContact CD2-CG 4.22Å; Y353-K357 HydrophobicContact CE2-CD 3.96Å; Y353-K357 HydrophobicContact CE2-CG 4.11Å; Y353-K357 WeakPolarHBondContact O-CB 3.35Å; Y353-K357 WeakPolarHBondContact O-CG 3.23Å; Y353-K357 PolarHBondContact O-N 3.22Å; Y353-K357 WeakPolarHBondContact OH-CE 3.41Å; Y353-K357 PolarHBondContact OH-NZ 2.68Å; Q354-K357 PolarHBondContact O-N 3.47Å; V355-K357 VanDerWaalsContact C-N 3.32Å; V355-K357 PolarHBondContact O-N 2.78Å |
| 358 | K | 90.6 | Very high | 93.3 | Very high | 70 Ų | 70 | 19.7 Ų | 19.7 | 30% | 0.304 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -76.3 | -36.3 | 179.4 | -176.3 | 175.5 | -179.5 | 177.6 | 0 | 112.7 | Q354 V355 T356 F370 V529 S532 | Q354-K358 WeakPolarHBondContact O-CB 3.17Å; Q354-K358 PolarHBondContact O-N 3.22Å; Q354-K358 VanDerWaalsContact O-N 3.08Å; V355-K358 WeakPolarHBondContact O-CB 3.47Å; V355-K358 PolarHBondContact O-N 2.64Å; T356-K358 VanDerWaalsContact C-N 3.34Å; T356-K358 PolarHBondContact O-N 2.89Å; K358-F370 WeakPolarHBondContact CE-O 3.33Å; K358-F370 PolarHBondContact NZ-O 3.37Å; K358-V529 HydrophobicContact CB-CG1 4.24Å; K358-V529 HydrophobicContact CD-CG1 3.54Å; K358-V529 HydrophobicContact CG-CG1 4.48Å; K358-S532 PolarHBondContact NZ-OG 3.1Å |
| 359 | H | 91.7 | Very high | 93 | Very high | 26 Ų | 26 | 22 Ų | 22 | 12% | 0.12 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -116.2 | 8 | -173.5 | -51.5 | -66.5 | 0 | 0 | 0 | 114.1 | V355 F361 F370 V426 | V355-H359 PolarHBondContact O-CD2 3.08Å; V355-H359 PolarHBondContact O-N 3.17Å; V355-H359 VanDerWaalsContact O-N 3.09Å; H359-F361 PolarHBondContact O-N 3.26Å; H359-F370 PolarHBondContact NE2-O 3.35Å; H359-V426 HydrophobicContact CB-CG2 4.17Å |
| 360 | N | 93.2 | Very high | 92.7 | Very high | 58 Ų | 58 | 22.8 Ų | 22.8 | 31% | 0.31 | 11% | 0.114 | S | C | . | . | S | Bend | trans | 66.7 | -36.5 | -171.4 | -43.4 | -85.2 | 0 | 0 | 0 | 115 | T356 N409 F413 | T356-N360 CarbonylContact O-C 3.18Å; T356-N360 WeakPolarHBondContact O-CA 3.46Å; T356-N360 PolarHBondContact O-N 3.42Å; N360-N409 PolarHBondContact O-ND2 2.87Å; N360-F413 HydrophobicContact CB-CD2 4.06Å; N360-F413 HydrophobicContact CB-CE2 3.72Å; N360-F413 HydrophobicContact CB-CZ 4.31Å; N360-F413 WeakPolarHBondContact OD1-CE2 3.17Å; N360-F413 WeakPolarHBondContact OD1-CZ 3.27Å |
| 361 | F | 95.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -122.5 | 164.9 | 170.2 | -62.8 | -82.4 | 0 | 0 | 0 | 110.5 | H359 P363 H377 N409 L410 F413 A414 M423 V426 | H359-F361 PolarHBondContact O-N 3.26Å; F361-P363 VanDerWaalsContact O-CD 3.32Å; F361-P363 WeakPolarHBondContact O-CD 3.44Å; F361-H377 HydrophobicContact CB-CB 4.18Å; F361-H377 AromaticContact CD1-CD2 3.45Å; F361-H377 VanDerWaalsContact CD1-CD2 3.45Å; F361-H377 WeakPolarHBondContact CD1-CD2 3.36Å; F361-H377 AromaticContact CD1-NE2 3.42Å; F361-H377 WeakPolarHBondContact CD1-NE2 3.15Å; F361-H377 AromaticContact CG-CD2 3.69Å; F361-N409 HydrophobicContact CE1-CB 4.36Å; F361-N409 HydrophobicContact CZ-CB 4.35Å; F361-L410 HydrophobicContact CE1-CD2 4.12Å; F361-F413 HydrophobicContact CE2-CB 3.6Å; F361-F413 HydrophobicContact CE2-CD2 4.24Å; F361-F413 HydrophobicContact CE2-CG 4.26Å; F361-F413 HydrophobicContact CZ-CB 3.9Å; F361-A414 HydrophobicContact CZ-CB 4.17Å; F361-M423 HydrophobicContact CD2-CG 3.83Å; F361-M423 HydrophobicContact CE2-CG 3.69Å; F361-M423 HydrophobicContact CE2-SD 3.94Å; F361-M423 HydrophobicContact CZ-CG 4.27Å; F361-M423 HydrophobicContact CZ-SD 4.43Å; F361-V426 HydrophobicContact CB-CG1 3.86Å; F361-V426 HydrophobicContact CD2-CG1 4.27Å; F361-V426 HydrophobicContact CG-CG1 4.49Å |
| 362 | L | 95.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | trans | -76.1 | 113.3 | 167.4 | -170.9 | 66.9 | 0 | 0 | 0 | 107.9 | A330 L352 V355 F366 H377 | A330-L362 HydrophobicContact CB-CD2 3.83Å; L352-L362 HydrophobicContact CD2-CD1 3.84Å; L352-L362 HydrophobicContact CD2-CD2 3.96Å; V355-L362 HydrophobicContact CB-CD1 4.08Å; V355-L362 HydrophobicContact CG1-CD1 3.84Å; L362-F366 HydrophobicContact CD1-CD1 4.28Å; L362-F366 HydrophobicContact CD1-CE1 3.84Å; L362-F366 HydrophobicContact CD1-CZ 4.42Å; L362-H377 PolarHBondContact O-ND1 2.84Å | ||
| 363 | P | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -65.8 | 144.5 | 177.7 | 29.2 | -36.4 | 0 | 0 | 0 | 110.8 | V355 F361 A365 F366 V372 W374 V426 | V355-P363 HydrophobicContact CG1-CG 4.24Å; F361-P363 VanDerWaalsContact O-CD 3.32Å; F361-P363 WeakPolarHBondContact O-CD 3.44Å; P363-A365 PolarHBondContact O-N 3.21Å; P363-F366 HydrophobicContact CG-CB 3.97Å; P363-F366 HydrophobicContact CG-CD1 4.33Å; P363-V372 HydrophobicContact CB-CB 4.47Å; P363-V372 HydrophobicContact CB-CG1 4.05Å; P363-V372 HydrophobicContact CB-CG2 4.1Å; P363-V372 HydrophobicContact CG-CG2 4.19Å; P363-W374 WeakPolarHBondContact CB-O 3.31Å; P363-V426 HydrophobicContact CB-CG2 4.11Å | ||
| 364 | E | 94.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -52.4 | -28 | -177.3 | -163.7 | 75.5 | 174.4 | 0 | 0 | 113 | D326 S327 W374 Q376 P378 R380 | D326-E364 CarbonylContact C-O 3.54Å; D326-E364 WeakPolarHBondContact CA-O 3.47Å; S327-E364 PolarHBondContact N-O 3.46Å; S327-E364 PolarHBondContact OG-OE2 3.06Å; E364-W374 HydrophobicContact CB-CB 4.34Å; E364-Q376 HydrophobicContact CB-CB 4.15Å; E364-Q376 WeakPolarHBondContact CB-O 3.42Å; E364-Q376 PolarHBondContact N-O 2.67Å; E364-P378 WeakPolarHBondContact OE2-CD 3.44Å; E364-R380 IonicContact OE1-CZ 2.92Å; E364-R380 VanDerWaalsContact OE1-CZ 3.31Å; E364-R380 IonicContact OE1-NE 3.78Å; E364-R380 PolarHBondContact OE1-NE 2.96Å; E364-R380 IonicContact OE1-NH2 3.32Å; E364-R380 PolarHBondContact OE1-NH2 3.47Å; E364-R380 WeakPolarHBondContact OE2-CG 3.36Å; E364-R380 IonicContact OE2-NE 3.2Å; E364-R380 PolarHBondContact OE2-NE 2.97Å |
| 365 | A | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 149.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | W324 M325 P363 H373 W374 | W324-A365 HydrophobicContact CD2-CB 4.39Å; W324-A365 HydrophobicContact CE3-CB 3.79Å; W324-A365 HydrophobicContact CZ3-CB 4.21Å; M325-A365 CarbonylContact O-C 3.6Å; M325-A365 WeakPolarHBondContact O-CA 3.43Å; M325-A365 WeakPolarHBondContact O-CB 3.5Å; P363-A365 PolarHBondContact O-N 3.21Å; A365-H373 HydrophobicContact CB-CB 4.04Å; A365-H373 WeakPolarHBondContact O-CA 3.42Å; A365-H373 WeakPolarHBondContact O-CB 3.4Å; A365-H373 PolarHBondContact O-N 3.48Å; A365-W374 HydrophobicContact CB-CB 4.03Å; A365-W374 HydrophobicContact CB-CD2 3.81Å; A365-W374 HydrophobicContact CB-CE3 3.54Å; A365-W374 HydrophobicContact CB-CG 4.05Å; A365-W374 HydrophobicContact CB-CZ3 4.29Å; A365-W374 PolarHBondContact N-O 3.37Å; A365-W374 PolarHBondContact O-N 3.14Å; A365-W374 VanDerWaalsContact O-N 3.1Å |
| 366 | F | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.1 | 176.8 | 58.6 | -77.9 | 0 | 0 | 0 | 114 | W324 M325 M351 L352 V355 L362 P363 F370 R371 | W324-F366 CarbonylContact C-O 3.49Å; W324-F366 VanDerWaalsContact CA-O 3.23Å; W324-F366 WeakPolarHBondContact CA-O 3.15Å; W324-F366 WeakPolarHBondContact CB-O 3.39Å; M325-F366 HydrophobicContact CB-CD1 4.49Å; M325-F366 HydrophobicContact CB-CE1 4.05Å; M325-F366 HydrophobicContact CB-CE2 4.18Å; M325-F366 HydrophobicContact CB-CZ 3.88Å; M325-F366 HydrophobicContact CE-CD2 3.79Å; M325-F366 HydrophobicContact CE-CE2 3.4Å; M325-F366 HydrophobicContact CE-CZ 4.16Å; M325-F366 PolarHBondContact N-O 3.47Å; M325-F366 PolarHBondContact O-N 3.31Å; M325-F366 HydrophobicContact SD-CE2 3.97Å; M325-F366 HydrophobicContact SD-CZ 4.18Å; M351-F366 HydrophobicContact CE-CE2 4.03Å; M351-F366 HydrophobicContact CE-CZ 3.91Å; M351-F366 HydrophobicContact SD-CE2 4.38Å; L352-F366 HydrophobicContact CD2-CE1 4.27Å; L352-F366 HydrophobicContact CD2-CZ 3.87Å; V355-F366 HydrophobicContact CG1-CD1 4.44Å; V355-F366 HydrophobicContact CG1-CD2 4.39Å; V355-F366 HydrophobicContact CG1-CG 4.24Å; V355-F366 HydrophobicContact CG2-CD2 4.09Å; V355-F366 HydrophobicContact CG2-CE2 3.99Å; L362-F366 HydrophobicContact CD1-CD1 4.28Å; L362-F366 HydrophobicContact CD1-CE1 3.84Å; L362-F366 HydrophobicContact CD1-CZ 4.42Å; P363-F366 HydrophobicContact CG-CB 3.97Å; P363-F366 HydrophobicContact CG-CD1 4.33Å; F366-F370 HydrophobicContact CD2-CD1 4.36Å; F366-F370 HydrophobicContact CE2-CD1 4.43Å; F366-R371 CarbonylContact C-O 3.6Å; F366-R371 WeakPolarHBondContact CA-O 3.36Å; F366-R371 VanDerWaalsContact CB-O 3.26Å; F366-R371 WeakPolarHBondContact CB-O 3.26Å |
| 367 | T | 90.5 | Very high | 91.9 | Very high | 30 Ų | 30 | 44 Ų | 44 | 18% | 0.184 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 164 | 177.5 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | D369 F370 R371 H373 | T367-D369 PolarHBondContact O-N 3.06Å; T367-D369 VanDerWaalsContact O-N 3.1Å; T367-D369 PolarHBondContact OG1-OD1 3.08Å; T367-F370 WeakPolarHBondContact O-CA 3.27Å; T367-F370 PolarHBondContact O-N 3.11Å; T367-R371 PolarHBondContact N-O 2.88Å; T367-R371 WeakPolarHBondContact OG1-CB 3.36Å; T367-R371 PolarHBondContact OG1-N 2.84Å; T367-R371 PolarHBondContact OG1-O 3.44Å; T367-H373 HydrophobicContact CG2-CB 4.44Å |
| 368 | T | 87.4 | Confident | 92 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 39% | 0.387 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -16.1 | 176.7 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | L308 L310 | L308-T368 HydrophobicContact CD1-CG2 4.01Å; L310-T368 HydrophobicContact CD1-CG2 3.91Å; L310-T368 HydrophobicContact CD2-CG2 3.8Å; L310-T368 HydrophobicContact CG-CG2 4.48Å |
| 369 | D | 85.4 | Confident | 92.3 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 26% | 0.262 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 12.7 | 172.7 | 80.4 | -38.6 | 0 | 0 | 0 | 113.8 | T367 R371 S532 | T367-D369 PolarHBondContact O-N 3.06Å; T367-D369 VanDerWaalsContact O-N 3.1Å; T367-D369 PolarHBondContact OG1-OD1 3.08Å; D369-R371 IonicContact OD1-NE 2.73Å; D369-R371 IonicContact OD2-CZ 2.87Å; D369-R371 IonicContact OD2-NE 3.2Å; D369-R371 PolarHBondContact OD2-NE 3.1Å; D369-R371 IonicContact OD2-NH2 2.89Å; D369-R371 PolarHBondContact OD2-NH2 2.93Å; D369-S532 PolarHBondContact O-OG 3.05Å |
| 370 | F | 89.3 | Confident | 92.5 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 66.1 | 41.8 | 174.8 | -43.1 | -67.1 | 0 | 0 | 0 | 113.7 | L308 M351 V355 K358 H359 F366 T367 V529 | L308-F370 HydrophobicContact CD2-CE1 3.95Å; L308-F370 HydrophobicContact CD2-CZ 4.04Å; M351-F370 HydrophobicContact CG-CD1 4.32Å; M351-F370 HydrophobicContact CG-CE1 3.49Å; M351-F370 VanDerWaalsContact CG-CE1 3.49Å; M351-F370 HydrophobicContact CG-CZ 4.07Å; M351-F370 HydrophobicContact SD-CE1 3.75Å; V355-F370 HydrophobicContact CG2-CB 4.21Å; V355-F370 HydrophobicContact CG2-CD1 3.67Å; V355-F370 HydrophobicContact CG2-CG 4.27Å; K358-F370 WeakPolarHBondContact CE-O 3.33Å; K358-F370 PolarHBondContact NZ-O 3.37Å; H359-F370 PolarHBondContact NE2-O 3.35Å; F366-F370 HydrophobicContact CD2-CD1 4.36Å; F366-F370 HydrophobicContact CE2-CD1 4.43Å; T367-F370 WeakPolarHBondContact O-CA 3.27Å; T367-F370 PolarHBondContact O-N 3.11Å; F370-V529 HydrophobicContact CB-CG1 4.17Å; F370-V529 HydrophobicContact CB-CG2 4.41Å; F370-V529 HydrophobicContact CD1-CG2 4.34Å; F370-V529 HydrophobicContact CD2-CB 4.28Å; F370-V529 HydrophobicContact CD2-CG2 3.69Å; F370-V529 HydrophobicContact CE2-CG2 3.99Å; F370-V529 HydrophobicContact CG-CG1 4.49Å; F370-V529 HydrophobicContact CG-CG2 3.87Å; F370-V529 HydrophobicContact CZ-CG2 4.44Å |
| 371 | R | 88.2 | Confident | 92.8 | Very high | 159 Ų | 159 | 35.7 Ų | 35.7 | 60% | 0.6 | 16% | 0.164 | S | C | * | . | trans | -102.7 | 152.3 | 165.7 | -56.3 | -175.3 | -155.6 | -179.6 | 16.1 | 110.3 | F366 T367 D369 H373 | F366-R371 CarbonylContact C-O 3.6Å; F366-R371 WeakPolarHBondContact CA-O 3.36Å; F366-R371 VanDerWaalsContact CB-O 3.26Å; F366-R371 WeakPolarHBondContact CB-O 3.26Å; T367-R371 PolarHBondContact N-O 2.88Å; T367-R371 WeakPolarHBondContact OG1-CB 3.36Å; T367-R371 PolarHBondContact OG1-N 2.84Å; T367-R371 PolarHBondContact OG1-O 3.44Å; D369-R371 IonicContact OD1-NE 2.73Å; D369-R371 IonicContact OD2-CZ 2.87Å; D369-R371 IonicContact OD2-NE 3.2Å; D369-R371 PolarHBondContact OD2-NE 3.1Å; D369-R371 IonicContact OD2-NH2 2.89Å; D369-R371 PolarHBondContact OD2-NH2 2.93Å; R371-H373 PolarHBondContact O-N 2.65Å | ||
| 372 | V | 90.9 | Very high | 92.9 | Very high | 21 Ų | 21 | 36 Ų | 36 | 13% | 0.127 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 123.3 | 172.8 | 179 | 0 | 0 | 0 | 0 | 109.8 | P363 W374 A375 V426 R427 | P363-V372 HydrophobicContact CB-CB 4.47Å; P363-V372 HydrophobicContact CB-CG1 4.05Å; P363-V372 HydrophobicContact CB-CG2 4.1Å; P363-V372 HydrophobicContact CG-CG2 4.19Å; V372-W374 WeakPolarHBondContact CG1-O 3.43Å; V372-A375 VanDerWaalsContact CG1-CA 3.41Å; V372-A375 HydrophobicContact CG1-CB 3.57Å; V372-V426 HydrophobicContact CG2-CG2 4.16Å; V372-R427 HydrophobicContact CB-CG 4.33Å; V372-R427 HydrophobicContact CG1-CG 4.42Å; V372-R427 HydrophobicContact CG2-CG 3.87Å |
| 373 | H | 91.6 | Very high | 93.1 | Very high | 80 Ų | 80 | 36.2 Ų | 36.2 | 37% | 0.37 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -55.8 | 168.9 | -172.9 | 61.9 | 0 | 0 | 0 | 109.8 | W324 A365 T367 R371 | W324-H373 HydrophobicContact CB-CB 4.32Å; W324-H373 AromaticContact CD1-CD2 3.6Å; W324-H373 AromaticContact CD1-CE1 3.95Å; W324-H373 AromaticContact CD1-NE2 3.47Å; W324-H373 AromaticContact CD2-CD2 3.94Å; W324-H373 AromaticContact CG-CD2 3.67Å; W324-H373 AromaticContact NE1-CD2 3.8Å; W324-H373 AromaticContact NE1-NE2 3.46Å; W324-H373 PolarHBondContact NE1-NE2 3.23Å; A365-H373 HydrophobicContact CB-CB 4.04Å; A365-H373 WeakPolarHBondContact O-CA 3.42Å; A365-H373 WeakPolarHBondContact O-CB 3.4Å; A365-H373 PolarHBondContact O-N 3.48Å; T367-H373 HydrophobicContact CG2-CB 4.44Å; R371-H373 PolarHBondContact O-N 2.65Å |
| 374 | W | 90.4 | Very high | 93.2 | Very high | 117 Ų | 117 | 36.3 Ų | 36.3 | 44% | 0.443 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.2 | 169.3 | -60 | -28.2 | 0 | 0 | 0 | 108.6 | W324 P363 E364 A365 V372 | W324-W374 AromaticContact CH2-CH2 3.35Å; W324-W374 HydrophobicContact CH2-CH2 3.35Å; W324-W374 HydrophobicContact CH2-CZ2 4.15Å; W324-W374 AromaticContact CH2-CZ3 3.63Å; W324-W374 HydrophobicContact CH2-CZ3 3.63Å; W324-W374 AromaticContact CZ2-CH2 3.54Å; W324-W374 HydrophobicContact CZ2-CH2 3.54Å; W324-W374 AromaticContact CZ2-CZ2 3.89Å; W324-W374 HydrophobicContact CZ2-CZ2 3.89Å; W324-W374 HydrophobicContact CZ2-CZ3 4.22Å; W324-W374 HydrophobicContact CZ3-CH2 4.12Å; W324-W374 AromaticContact CZ3-CZ3 3.95Å; W324-W374 HydrophobicContact CZ3-CZ3 3.95Å; P363-W374 WeakPolarHBondContact CB-O 3.31Å; E364-W374 HydrophobicContact CB-CB 4.34Å; A365-W374 HydrophobicContact CB-CB 4.03Å; A365-W374 HydrophobicContact CB-CD2 3.81Å; A365-W374 HydrophobicContact CB-CE3 3.54Å; A365-W374 HydrophobicContact CB-CG 4.05Å; A365-W374 HydrophobicContact CB-CZ3 4.29Å; A365-W374 PolarHBondContact N-O 3.37Å; A365-W374 PolarHBondContact O-N 3.14Å; A365-W374 VanDerWaalsContact O-N 3.1Å; V372-W374 WeakPolarHBondContact CG1-O 3.43Å |
| 375 | A | 92.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | trans | -97.2 | -6.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V372 D425 V426 | V372-A375 VanDerWaalsContact CG1-CA 3.41Å; V372-A375 HydrophobicContact CG1-CB 3.57Å; A375-D425 HydrophobicContact CB-CB 4.04Å; A375-D425 VanDerWaalsContact CB-CG 3.49Å; A375-D425 WeakPolarHBondContact CB-OD1 3.12Å; A375-D425 CarbonylContact O-C 3.3Å; A375-D425 VanDerWaalsContact O-CA 3.27Å; A375-D425 WeakPolarHBondContact O-CA 3.44Å; A375-V426 WeakPolarHBondContact O-CG1 3.41Å; A375-V426 PolarHBondContact O-N 2.91Å | ||
| 376 | Q | 93 | Very high | 93.6 | Very high | 87 Ų | 87 | 35.2 Ų | 35.2 | 41% | 0.407 | 16% | 0.162 | S | C | . | . | trans | -62.3 | 157.3 | 175.3 | -63.9 | 84.4 | -21.7 | 0 | 0 | 110.9 | E364 M423 | E364-Q376 HydrophobicContact CB-CB 4.15Å; E364-Q376 WeakPolarHBondContact CB-O 3.42Å; E364-Q376 PolarHBondContact N-O 2.67Å; Q376-M423 CarbonylContact C-O 3.54Å; Q376-M423 WeakPolarHBondContact CA-O 3.22Å | ||
| 377 | H | 95.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -155.5 | 96.4 | 163.4 | 175.9 | 82.7 | 0 | 0 | 0 | 108.5 | F361 L362 L379 M423 V426 | F361-H377 HydrophobicContact CB-CB 4.18Å; F361-H377 AromaticContact CD1-CD2 3.45Å; F361-H377 VanDerWaalsContact CD1-CD2 3.45Å; F361-H377 WeakPolarHBondContact CD1-CD2 3.36Å; F361-H377 AromaticContact CD1-NE2 3.42Å; F361-H377 WeakPolarHBondContact CD1-NE2 3.15Å; F361-H377 AromaticContact CG-CD2 3.69Å; L362-H377 PolarHBondContact O-ND1 2.84Å; H377-L379 PolarHBondContact O-N 3.43Å; H377-M423 HydrophobicContact CB-CB 4.19Å; H377-M423 PolarHBondContact N-O 3.22Å; H377-M423 PolarHBondContact O-N 3.15Å; H377-V426 HydrophobicContact CB-CG1 3.75Å |
| 378 | P | 94.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 7% | 0.065 | 16% | 0.155 | C | C | . | . | trans | -79.7 | 46.2 | -180 | 35.2 | -35.8 | 0 | 0 | 0 | 112.1 | E364 R380 A422 F438 | E364-P378 WeakPolarHBondContact OE2-CD 3.44Å; P378-R380 VanDerWaalsContact C-N 3.25Å; P378-R380 HydrophobicContact CG-CG 3.98Å; P378-R380 PolarHBondContact O-N 2.85Å; P378-A422 HydrophobicContact CB-CB 4.4Å; P378-F438 WeakPolarHBondContact O-CE2 3.09Å; P378-F438 WeakPolarHBondContact O-CZ 3.36Å | ||
| 379 | L | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | trans | 60.4 | 29.2 | 177.5 | -44.4 | 179.5 | 0 | 0 | 0 | 115.2 | H377 L410 A414 F420 M435 F439 M443 | H377-L379 PolarHBondContact O-N 3.43Å; L379-L410 HydrophobicContact CD2-CD2 4.17Å; L379-A414 HydrophobicContact CD2-CB 3.74Å; L379-F420 HydrophobicContact CD1-CB 3.89Å; L379-M435 HydrophobicContact CD1-CG 4.5Å; L379-F439 HydrophobicContact CB-CD2 3.41Å; L379-F439 VanDerWaalsContact CB-CD2 3.41Å; L379-F439 HydrophobicContact CB-CE2 3.84Å; L379-F439 HydrophobicContact CB-CG 4.1Å; L379-F439 HydrophobicContact CD1-CB 4.47Å; L379-F439 HydrophobicContact CD1-CD1 4.01Å; L379-F439 HydrophobicContact CD1-CD2 3.74Å; L379-F439 HydrophobicContact CD1-CE1 4.18Å; L379-F439 HydrophobicContact CD1-CE2 3.92Å; L379-F439 HydrophobicContact CD1-CG 3.78Å; L379-F439 HydrophobicContact CD1-CZ 4.14Å; L379-F439 HydrophobicContact CG-CD2 4.17Å; L379-F439 HydrophobicContact CG-CE2 4.37Å; L379-M443 WeakPolarHBondContact O-CG 3.47Å | ||
| 380 | R | 95.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 29.9 Ų | 29.9 | 18% | 0.177 | 13% | 0.129 | C | C | . | . | trans | -39.6 | 116.2 | 179.6 | -76.5 | -75.6 | 176.8 | -149 | -0.8 | 115.2 | E364 P378 E382 M443 | E364-R380 IonicContact OE1-CZ 2.92Å; E364-R380 VanDerWaalsContact OE1-CZ 3.31Å; E364-R380 IonicContact OE1-NE 3.78Å; E364-R380 PolarHBondContact OE1-NE 2.96Å; E364-R380 IonicContact OE1-NH2 3.32Å; E364-R380 PolarHBondContact OE1-NH2 3.47Å; E364-R380 WeakPolarHBondContact OE2-CG 3.36Å; E364-R380 IonicContact OE2-NE 3.2Å; E364-R380 PolarHBondContact OE2-NE 2.97Å; P378-R380 VanDerWaalsContact C-N 3.25Å; P378-R380 HydrophobicContact CG-CG 3.98Å; P378-R380 PolarHBondContact O-N 2.85Å; R380-E382 WeakPolarHBondContact CA-OE2 3.38Å; R380-E382 WeakPolarHBondContact CB-OE2 3.47Å; R380-E382 WeakPolarHBondContact CD-OE1 3.2Å; R380-E382 IonicContact NH1-OE1 3.35Å; R380-M443 WeakPolarHBondContact O-CE 3.48Å | ||
| 381 | P | 97.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.013 | 13% | 0.134 | C | C | . | . | trans | -82.8 | -17.1 | -170.8 | 30.7 | -33.3 | 0 | 0 | 0 | 115.8 | F383 A384 E385 F438 E442 M443 | P381-F383 VanDerWaalsContact C-N 3.27Å; P381-F383 PolarHBondContact O-N 3.07Å; P381-F383 VanDerWaalsContact O-N 3.16Å; P381-A384 WeakPolarHBondContact O-CA 3.38Å; P381-A384 VanDerWaalsContact O-CB 3.29Å; P381-A384 WeakPolarHBondContact O-CB 3.31Å; P381-A384 PolarHBondContact O-N 3.36Å; P381-E385 PolarHBondContact O-N 2.67Å; P381-E385 VanDerWaalsContact O-N 3.07Å; P381-F438 HydrophobicContact CG-CD2 4.19Å; P381-E442 HydrophobicContact CB-CB 3.56Å; P381-E442 HydrophobicContact CB-CG 4.45Å; P381-E442 HydrophobicContact CG-CB 3.83Å; P381-E442 VanDerWaalsContact CG-CD 3.43Å; P381-E442 HydrophobicContact CG-CG 4.22Å; P381-E442 WeakPolarHBondContact CG-OE1 3.49Å; P381-M443 HydrophobicContact CB-CB 4.49Å; P381-M443 HydrophobicContact CB-CG 3.95Å | ||
| 382 | E | 98.4 | Very high | 95.6 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.4 | -30.7 | -163.1 | -48.4 | 88.2 | 156.9 | 0 | 0 | 112.3 | A330 F331 R380 S386 | A330-E382 CarbonylContact C-O 3.54Å; A330-E382 HydrophobicContact CB-CB 4.1Å; A330-E382 VanDerWaalsContact O-O 3.06Å; F331-E382 HydrophobicContact CB-CB 3.99Å; F331-E382 HydrophobicContact CB-CG 4.36Å; R380-E382 WeakPolarHBondContact CA-OE2 3.38Å; R380-E382 WeakPolarHBondContact CB-OE2 3.47Å; R380-E382 WeakPolarHBondContact CD-OE1 3.2Å; R380-E382 IonicContact NH1-OE1 3.35Å; E382-S386 PolarHBondContact O-N 3.24Å; E382-S386 VanDerWaalsContact O-N 3.11Å |
| 383 | F | 98.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 5% | 0.048 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.3 | -28.1 | 172.5 | -177.7 | -110.6 | 0 | 0 | 0 | 113 | A330 H349 L352 Y353 T356 P381 T387 I406 | A330-F383 HydrophobicContact CB-CB 4.04Å; H349-F383 AromaticContact CD2-CE2 3.64Å; H349-F383 AromaticContact CE1-CE2 3.82Å; H349-F383 AromaticContact CE1-CZ 3.92Å; H349-F383 AromaticContact NE2-CD2 4Å; H349-F383 AromaticContact NE2-CE2 3.33Å; H349-F383 VanDerWaalsContact NE2-CE2 3.33Å; H349-F383 WeakPolarHBondContact NE2-CE2 3.42Å; H349-F383 AromaticContact NE2-CZ 3.7Å; L352-F383 HydrophobicContact CB-CD2 3.82Å; L352-F383 HydrophobicContact CB-CE2 3.76Å; L352-F383 HydrophobicContact CD1-CD2 4.43Å; Y353-F383 HydrophobicContact CD2-CE1 4.44Å; Y353-F383 AromaticContact CD2-CZ 3.98Å; Y353-F383 HydrophobicContact CD2-CZ 3.98Å; Y353-F383 HydrophobicContact CG-CZ 4.07Å; T356-F383 HydrophobicContact CG2-CE1 4.35Å; P381-F383 VanDerWaalsContact C-N 3.27Å; P381-F383 PolarHBondContact O-N 3.07Å; P381-F383 VanDerWaalsContact O-N 3.16Å; F383-T387 WeakPolarHBondContact O-CB 3.44Å; F383-T387 PolarHBondContact O-N 2.78Å; F383-T387 PolarHBondContact O-OG1 2.99Å; F383-I406 HydrophobicContact CD1-CD1 3.65Å; F383-I406 HydrophobicContact CD1-CG1 4.09Å; F383-I406 HydrophobicContact CE1-CD1 3.83Å; F383-I406 HydrophobicContact CE1-CG1 4.06Å |
| 384 | A | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -75.4 | -41 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P381 T387 Y388 I406 M443 L447 | P381-A384 WeakPolarHBondContact O-CA 3.38Å; P381-A384 VanDerWaalsContact O-CB 3.29Å; P381-A384 WeakPolarHBondContact O-CB 3.31Å; P381-A384 PolarHBondContact O-N 3.36Å; A384-T387 WeakPolarHBondContact O-CB 3.18Å; A384-T387 PolarHBondContact O-N 3.36Å; A384-Y388 PolarHBondContact O-N 3.41Å; A384-I406 HydrophobicContact CB-CD1 4.11Å; A384-M443 HydrophobicContact CB-SD 3.86Å; A384-L447 HydrophobicContact CB-CD2 4.3Å; A384-L447 HydrophobicContact CB-CG 4.27Å |
| 385 | E | 98.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -52.2 | -58.4 | 171.3 | -178.1 | -160.7 | -166.2 | 0 | 0 | 111 | F331 P381 T387 Y388 F389 Y446 | F331-E385 WeakPolarHBondContact CA-OE2 3.49Å; F331-E385 VanDerWaalsContact CB-OE2 3.31Å; F331-E385 WeakPolarHBondContact CB-OE2 3.23Å; P381-E385 PolarHBondContact O-N 2.67Å; P381-E385 VanDerWaalsContact O-N 3.07Å; E385-T387 PolarHBondContact O-N 3.21Å; E385-Y388 WeakPolarHBondContact O-CA 3.44Å; E385-Y388 WeakPolarHBondContact O-CB 3.35Å; E385-Y388 PolarHBondContact O-N 3.01Å; E385-F389 HydrophobicContact CG-CD2 3.72Å; E385-F389 HydrophobicContact CG-CE2 3.58Å; E385-F389 PolarHBondContact O-N 3.23Å; E385-F389 WeakPolarHBondContact OE1-CE2 3.44Å; E385-Y446 HydrophobicContact CB-CD1 4.32Å; E385-Y446 HydrophobicContact CB-CD2 3.82Å; E385-Y446 HydrophobicContact CB-CE1 4.15Å; E385-Y446 HydrophobicContact CB-CE2 3.6Å; E385-Y446 HydrophobicContact CB-CG 4.17Å; E385-Y446 HydrophobicContact CG-CD1 4.33Å; E385-Y446 HydrophobicContact CG-CD2 4.48Å; E385-Y446 HydrophobicContact CG-CE1 3.78Å; E385-Y446 HydrophobicContact CG-CE2 3.94Å |
| 386 | S | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.6 | -33.6 | 179.3 | -82.8 | 0 | 0 | 0 | 0 | 113.1 | A330 F331 P333 G334 E382 L390 | A330-S386 VanDerWaalsContact O-CB 3.26Å; A330-S386 WeakPolarHBondContact O-CB 3.32Å; A330-S386 PolarHBondContact O-OG 3.05Å; F331-S386 PolarHBondContact O-OG 2.97Å; P333-S386 WeakPolarHBondContact CD-OG 3.27Å; G334-S386 PolarHBondContact N-OG 3.07Å; E382-S386 PolarHBondContact O-N 3.24Å; E382-S386 VanDerWaalsContact O-N 3.11Å; S386-L390 VanDerWaalsContact O-CB 3.27Å; S386-L390 WeakPolarHBondContact O-CB 3.29Å; S386-L390 WeakPolarHBondContact O-CD1 3.31Å; S386-L390 WeakPolarHBondContact O-CG 3.37Å; S386-L390 PolarHBondContact O-N 3.28Å |
| 387 | T | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | H349 F383 A384 E385 Y391 Y399 A402 L450 | H349-T387 PolarHBondContact NE2-OG1 2.85Å; F383-T387 WeakPolarHBondContact O-CB 3.44Å; F383-T387 PolarHBondContact O-N 2.78Å; F383-T387 PolarHBondContact O-OG1 2.99Å; A384-T387 WeakPolarHBondContact O-CB 3.18Å; A384-T387 PolarHBondContact O-N 3.36Å; E385-T387 PolarHBondContact O-N 3.21Å; T387-Y391 WeakPolarHBondContact O-CB 3.36Å; T387-Y391 PolarHBondContact O-N 3.41Å; T387-Y399 VanDerWaalsContact CG2-O 3.26Å; T387-Y399 WeakPolarHBondContact CG2-O 3.08Å; T387-A402 HydrophobicContact CG2-CB 3.91Å; T387-L450 HydrophobicContact CG2-CD1 4.48Å; T387-L450 HydrophobicContact CG2-CD2 3.79Å |
| 388 | Y | 97.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 4% | 0.043 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.3 | -53.1 | 175.8 | 166.4 | -111.7 | 0 | 0 | 0 | 112.1 | A384 E385 L390 Y391 K392 Y446 L449 | A384-Y388 PolarHBondContact O-N 3.41Å; E385-Y388 WeakPolarHBondContact O-CA 3.44Å; E385-Y388 WeakPolarHBondContact O-CB 3.35Å; E385-Y388 PolarHBondContact O-N 3.01Å; Y388-L390 PolarHBondContact O-N 3.36Å; Y388-Y391 PolarHBondContact O-N 2.78Å; Y388-Y391 VanDerWaalsContact O-N 3.16Å; Y388-K392 HydrophobicContact CE2-CB 4.5Å; Y388-K392 WeakPolarHBondContact O-CB 3.45Å; Y388-K392 PolarHBondContact O-N 3.03Å; Y388-Y446 AromaticContact CD1-CD1 3.97Å; Y388-Y446 HydrophobicContact CD1-CD1 3.97Å; Y388-Y446 HydrophobicContact CG-CD1 4.46Å; Y388-L449 HydrophobicContact CD2-CB 3.71Å; Y388-L449 HydrophobicContact CE1-CD1 4.2Å; Y388-L449 HydrophobicContact CE2-CB 3.41Å; Y388-L449 VanDerWaalsContact CE2-CB 3.41Å; Y388-L449 HydrophobicContact CE2-CD1 4.49Å; Y388-L449 HydrophobicContact CE2-CG 4.46Å; Y388-L449 HydrophobicContact CG-CB 4.38Å |
| 389 | F | 97 | Very high | 95 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 8% | 0.083 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | -179.8 | -77.4 | -65.2 | 0 | 0 | 0 | 112.4 | V337 L338 E385 Y391 K392 A393 F466 | V337-F389 HydrophobicContact CB-CB 4.14Å; V337-F389 HydrophobicContact CG1-CB 4Å; L338-F389 HydrophobicContact CD1-CZ 4.35Å; L338-F389 HydrophobicContact CD2-CD1 4.15Å; L338-F389 HydrophobicContact CD2-CE1 3.79Å; L338-F389 HydrophobicContact CD2-CZ 4.37Å; L338-F389 HydrophobicContact CG-CD1 4.45Å; L338-F389 HydrophobicContact CG-CE1 4.29Å; E385-F389 HydrophobicContact CG-CD2 3.72Å; E385-F389 HydrophobicContact CG-CE2 3.58Å; E385-F389 PolarHBondContact O-N 3.23Å; E385-F389 WeakPolarHBondContact OE1-CE2 3.44Å; F389-Y391 VanDerWaalsContact C-N 3.33Å; F389-Y391 PolarHBondContact O-N 3.05Å; F389-K392 PolarHBondContact O-N 3.19Å; F389-A393 PolarHBondContact O-N 3.36Å; F389-F466 HydrophobicContact CZ-CD2 4.37Å |
| 390 | L | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -37.6 | 175.6 | -80.6 | 166.3 | 0 | 0 | 0 | 112.6 | P333 V337 I342 A345 I346 H349 S386 Y388 T394 Y399 | P333-L390 HydrophobicContact CB-CD1 4.36Å; V337-L390 HydrophobicContact CG2-CD2 3.5Å; V337-L390 VanDerWaalsContact CG2-CD2 3.5Å; V337-L390 HydrophobicContact CG2-CG 3.8Å; I342-L390 HydrophobicContact CG2-CD2 4.17Å; A345-L390 HydrophobicContact CB-CD2 3.94Å; I346-L390 HydrophobicContact CG1-CD2 4.14Å; H349-L390 HydrophobicContact CB-CD1 3.4Å; H349-L390 VanDerWaalsContact CG-CD1 3.43Å; S386-L390 VanDerWaalsContact O-CB 3.27Å; S386-L390 WeakPolarHBondContact O-CB 3.29Å; S386-L390 WeakPolarHBondContact O-CD1 3.31Å; S386-L390 WeakPolarHBondContact O-CG 3.37Å; S386-L390 PolarHBondContact O-N 3.28Å; Y388-L390 PolarHBondContact O-N 3.36Å; L390-T394 WeakPolarHBondContact O-CB 3.48Å; L390-T394 WeakPolarHBondContact O-CG2 3.5Å; L390-T394 PolarHBondContact O-N 3.43Å; L390-T394 VanDerWaalsContact O-N 3.14Å; L390-T394 PolarHBondContact O-OG1 3.35Å; L390-Y399 HydrophobicContact CB-CD1 4.06Å; L390-Y399 HydrophobicContact CB-CD2 4.12Å; L390-Y399 HydrophobicContact CB-CE1 3.81Å; L390-Y399 HydrophobicContact CB-CE2 3.84Å; L390-Y399 HydrophobicContact CB-CG 4.22Å; L390-Y399 HydrophobicContact CD1-CE1 3.91Å; L390-Y399 HydrophobicContact CG-CE1 4.39Å |
| 391 | Y | 95.3 | Very high | 94.9 | Very high | 48 Ų | 48 | 24.8 Ų | 24.8 | 19% | 0.188 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65 | -50.1 | 171.9 | -179.1 | -115.6 | 0 | 0 | 0 | 111.8 | T387 Y388 F389 A393 T394 G395 L400 L450 | T387-Y391 WeakPolarHBondContact O-CB 3.36Å; T387-Y391 PolarHBondContact O-N 3.41Å; Y388-Y391 PolarHBondContact O-N 2.78Å; Y388-Y391 VanDerWaalsContact O-N 3.16Å; F389-Y391 VanDerWaalsContact C-N 3.33Å; F389-Y391 PolarHBondContact O-N 3.05Å; Y391-A393 VanDerWaalsContact C-N 3.31Å; Y391-A393 PolarHBondContact O-N 2.99Å; Y391-T394 PolarHBondContact O-N 2.9Å; Y391-G395 WeakPolarHBondContact O-CA 3.33Å; Y391-G395 PolarHBondContact O-N 2.82Å; Y391-L400 HydrophobicContact CD1-CD2 4.27Å; Y391-L400 HydrophobicContact CD2-CD2 4.23Å; Y391-L400 HydrophobicContact CD2-CG 4.12Å; Y391-L400 HydrophobicContact CE1-CD2 3.92Å; Y391-L400 HydrophobicContact CE2-CD1 3.91Å; Y391-L400 HydrophobicContact CE2-CD2 3.9Å; Y391-L400 HydrophobicContact CE2-CG 3.71Å; Y391-L400 HydrophobicContact CG-CD2 4.41Å; Y391-L450 HydrophobicContact CD1-CD1 3.64Å; Y391-L450 HydrophobicContact CG-CD1 3.64Å |
| 392 | K | 92.1 | Very high | 94.8 | Very high | 103 Ų | 103 | 24.7 Ų | 24.7 | 45% | 0.448 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -54.7 | -44.3 | -179.7 | -177.9 | 78.2 | -169.4 | -147 | 0 | 112 | Y388 F389 E462 | Y388-K392 HydrophobicContact CE2-CB 4.5Å; Y388-K392 WeakPolarHBondContact O-CB 3.45Å; Y388-K392 PolarHBondContact O-N 3.03Å; F389-K392 PolarHBondContact O-N 3.19Å; K392-E462 VanDerWaalsContact CE-OE1 3.32Å; K392-E462 WeakPolarHBondContact CE-OE1 3.45Å; K392-E462 WeakPolarHBondContact CE-OE2 3.23Å; K392-E462 IonicContact NZ-OE1 2.77Å; K392-E462 PolarHBondContact NZ-OE1 3.19Å; K392-E462 IonicContact NZ-OE2 2.76Å; K392-E462 PolarHBondContact NZ-OE2 3.41Å; K392-E462 VanDerWaalsContact NZ-OE2 3.16Å |
| 393 | A | 90.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 17% | 0.165 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -76.2 | -38.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | V337 I342 F389 Y391 T508 | V337-A393 HydrophobicContact CG1-CB 3.58Å; I342-A393 HydrophobicContact CD1-CB 4.45Å; F389-A393 PolarHBondContact O-N 3.36Å; Y391-A393 VanDerWaalsContact C-N 3.31Å; Y391-A393 PolarHBondContact O-N 2.99Å; A393-T508 WeakPolarHBondContact O-CB 3.41Å; A393-T508 VanDerWaalsContact O-CG2 3.31Å; A393-T508 WeakPolarHBondContact O-CG2 3.49Å; A393-T508 PolarHBondContact O-OG1 2.92Å |
| 394 | T | 89.1 | Confident | 94.7 | Very high | 34 Ų | 34 | 26.9 Ų | 26.9 | 21% | 0.209 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -101.2 | -25.9 | -170.6 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | I342 L390 Y391 D396 Y399 F512 | I342-T394 HydrophobicContact CG2-CG2 3.91Å; L390-T394 WeakPolarHBondContact O-CB 3.48Å; L390-T394 WeakPolarHBondContact O-CG2 3.5Å; L390-T394 PolarHBondContact O-N 3.43Å; L390-T394 VanDerWaalsContact O-N 3.14Å; L390-T394 PolarHBondContact O-OG1 3.35Å; Y391-T394 PolarHBondContact O-N 2.9Å; T394-D396 PolarHBondContact O-N 3.25Å; T394-D396 PolarHBondContact OG1-N 3.37Å; T394-Y399 WeakPolarHBondContact OG1-CE2 3.4Å; T394-F512 HydrophobicContact CG2-CE2 4.14Å; T394-F512 HydrophobicContact CG2-CZ 4.29Å |
| 395 | G | 88.8 | Confident | 94.7 | Very high | 49 Ų | 49 | 28.2 Ų | 28.2 | 51% | 0.505 | 15% | 0.149 | S | C | . | . | trans | 65.7 | 9.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y391 P397 | Y391-G395 WeakPolarHBondContact O-CA 3.33Å; Y391-G395 PolarHBondContact O-N 2.82Å; G395-P397 WeakPolarHBondContact O-CD 3.49Å | ||
| 396 | D | 89.9 | Confident | 94.6 | Very high | 28 Ų | 28 | 28.5 Ų | 28.5 | 15% | 0.15 | 15% | 0.151 | C | C | . | . | trans | -72.9 | 118.9 | -175.6 | -174.6 | -19.3 | 0 | 0 | 0 | 111.1 | T394 Y398 Y399 R522 | T394-D396 PolarHBondContact O-N 3.25Å; T394-D396 PolarHBondContact OG1-N 3.37Å; D396-Y398 PolarHBondContact O-N 2.7Å; D396-Y398 WeakPolarHBondContact OD1-CB 3.21Å; D396-Y398 PolarHBondContact OD1-N 3.03Å; D396-Y399 HydrophobicContact CB-CD2 3.99Å; D396-Y399 HydrophobicContact CB-CE2 3.92Å; D396-Y399 WeakPolarHBondContact O-CD2 3.34Å; D396-Y399 PolarHBondContact O-N 3.22Å; D396-R522 IonicContact OD1-NH1 2.7Å; D396-R522 IonicContact OD2-CZ 3.34Å; D396-R522 IonicContact OD2-NH1 3.33Å; D396-R522 PolarHBondContact OD2-NH1 2.94Å; D396-R522 IonicContact OD2-NH2 3.94Å; D396-R522 PolarHBondContact OD2-NH2 3.1Å | ||
| 397 | P | 90.2 | Very high | 94.6 | Very high | 44 Ų | 44 | 28.5 Ų | 28.5 | 29% | 0.286 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.3 | -178.7 | 27.4 | -36.1 | 0 | 0 | 0 | 113.8 | A20 G395 Y399 L400 E401 | A20-P397 HydrophobicContact CB-CB 4.1Å; A20-P397 HydrophobicContact CB-CG 4.09Å; G395-P397 WeakPolarHBondContact O-CD 3.49Å; P397-Y399 PolarHBondContact O-N 3.35Å; P397-L400 HydrophobicContact CB-CD1 4.4Å; P397-L400 WeakPolarHBondContact O-CB 3.48Å; P397-L400 PolarHBondContact O-N 2.87Å; P397-L400 VanDerWaalsContact O-N 3.1Å; P397-E401 PolarHBondContact O-N 2.67Å |
| 398 | Y | 91.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 16% | 0.157 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.5 | -33.8 | 171.7 | -171.8 | -105.8 | 0 | 0 | 0 | 113.3 | E350 Y353 D396 E401 A402 R522 | E350-Y398 VanDerWaalsContact CD-OH 3.31Å; E350-Y398 PolarHBondContact OE1-OH 2.82Å; E350-Y398 WeakPolarHBondContact OE2-CE1 3.26Å; E350-Y398 VanDerWaalsContact OE2-CZ 3.24Å; E350-Y398 PolarHBondContact OE2-OH 3.32Å; Y353-Y398 AromaticContact CD1-CE1 3.62Å; Y353-Y398 HydrophobicContact CD1-CE1 3.62Å; Y353-Y398 AromaticContact CD1-CZ 3.75Å; Y353-Y398 WeakPolarHBondContact CD1-OH 3.47Å; Y353-Y398 HydrophobicContact CE1-CD1 4.33Å; Y353-Y398 AromaticContact CE1-CE1 3.58Å; Y353-Y398 HydrophobicContact CE1-CE1 3.58Å; Y353-Y398 HydrophobicContact CE1-CE2 4.18Å; Y353-Y398 AromaticContact CE1-CZ 3.5Å; Y353-Y398 VanDerWaalsContact CE1-CZ 3.5Å; D396-Y398 PolarHBondContact O-N 2.7Å; D396-Y398 WeakPolarHBondContact OD1-CB 3.21Å; D396-Y398 PolarHBondContact OD1-N 3.03Å; Y398-E401 PolarHBondContact O-N 2.65Å; Y398-A402 PolarHBondContact O-N 3.15Å; Y398-A402 VanDerWaalsContact O-N 3.07Å; Y398-R522 VanDerWaalsContact CD1-CZ 3.44Å |
| 399 | Y | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -75.4 | -26.6 | 178.6 | -59.9 | -61 | 0 | 0 | 0 | 112.8 | H349 T387 L390 T394 D396 P397 A402 G403 R522 | H349-Y399 AromaticContact CE1-CD1 3.75Å; H349-Y399 AromaticContact CE1-CE1 3.83Å; H349-Y399 AromaticContact ND1-CD1 3.99Å; H349-Y399 AromaticContact ND1-CE1 3.58Å; T387-Y399 VanDerWaalsContact CG2-O 3.26Å; T387-Y399 WeakPolarHBondContact CG2-O 3.08Å; L390-Y399 HydrophobicContact CB-CD1 4.06Å; L390-Y399 HydrophobicContact CB-CD2 4.12Å; L390-Y399 HydrophobicContact CB-CE1 3.81Å; L390-Y399 HydrophobicContact CB-CE2 3.84Å; L390-Y399 HydrophobicContact CB-CG 4.22Å; L390-Y399 HydrophobicContact CD1-CE1 3.91Å; L390-Y399 HydrophobicContact CG-CE1 4.39Å; T394-Y399 WeakPolarHBondContact OG1-CE2 3.4Å; D396-Y399 HydrophobicContact CB-CD2 3.99Å; D396-Y399 HydrophobicContact CB-CE2 3.92Å; D396-Y399 WeakPolarHBondContact O-CD2 3.34Å; D396-Y399 PolarHBondContact O-N 3.22Å; P397-Y399 PolarHBondContact O-N 3.35Å; Y399-A402 WeakPolarHBondContact O-CB 3.47Å; Y399-A402 PolarHBondContact O-N 3.13Å; Y399-G403 PolarHBondContact O-N 2.95Å; Y399-R522 VanDerWaalsContact CZ-NH2 3.25Å; Y399-R522 PolarHBondContact OH-NH2 2.98Å |
| 400 | L | 96.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 170 | -60.4 | 174.9 | 0 | 0 | 0 | 111.1 | M21 K26 Y391 P397 A402 G403 R404 L450 F451 | M21-L400 HydrophobicContact CB-CD1 4.02Å; M21-L400 HydrophobicContact CE-CB 3.8Å; M21-L400 HydrophobicContact SD-CB 4.01Å; M21-L400 HydrophobicContact SD-CD1 4.36Å; K26-L400 HydrophobicContact CD-CD1 4Å; K26-L400 HydrophobicContact CD-CD2 4.43Å; K26-L400 HydrophobicContact CG-CD1 4.18Å; Y391-L400 HydrophobicContact CD1-CD2 4.27Å; Y391-L400 HydrophobicContact CD2-CD2 4.23Å; Y391-L400 HydrophobicContact CD2-CG 4.12Å; Y391-L400 HydrophobicContact CE1-CD2 3.92Å; Y391-L400 HydrophobicContact CE2-CD1 3.91Å; Y391-L400 HydrophobicContact CE2-CD2 3.9Å; Y391-L400 HydrophobicContact CE2-CG 3.71Å; Y391-L400 HydrophobicContact CG-CD2 4.41Å; P397-L400 HydrophobicContact CB-CD1 4.4Å; P397-L400 WeakPolarHBondContact O-CB 3.48Å; P397-L400 PolarHBondContact O-N 2.87Å; P397-L400 VanDerWaalsContact O-N 3.1Å; L400-A402 VanDerWaalsContact C-N 3.31Å; L400-A402 PolarHBondContact O-N 3.47Å; L400-G403 PolarHBondContact O-N 3.16Å; L400-R404 WeakPolarHBondContact O-CB 3.24Å; L400-R404 PolarHBondContact O-N 2.98Å; L400-L450 HydrophobicContact CD2-CD1 3.9Å; L400-L450 HydrophobicContact CD2-CG 4.14Å; L400-L450 VanDerWaalsContact CD2-O 3.23Å; L400-L450 WeakPolarHBondContact CD2-O 3.22Å; L400-F451 HydrophobicContact CB-CE1 4.15Å; L400-F451 HydrophobicContact CD2-CD1 4.04Å; L400-F451 HydrophobicContact CD2-CE1 3.98Å; L400-F451 WeakPolarHBondContact O-CZ 3.36Å |
| 401 | E | 94.7 | Very high | 94.7 | Very high | 76 Ų | 76 | 33.2 Ų | 33.2 | 36% | 0.355 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -71.1 | -26 | 174.4 | -66.6 | -79.9 | -127.8 | 0 | 0 | 112.3 | Y353 P397 Y398 R404 T405 | Y353-E401 PolarHBondContact OH-O 3.36Å; P397-E401 PolarHBondContact O-N 2.67Å; Y398-E401 PolarHBondContact O-N 2.65Å; E401-R404 IonicContact OE1-NH1 2.7Å; E401-R404 PolarHBondContact OE1-NH1 3.03Å; E401-R404 WeakPolarHBondContact OE2-CD 3.42Å; E401-R404 IonicContact OE2-CZ 3.91Å; E401-R404 IonicContact OE2-NE 3.69Å; E401-R404 IonicContact OE2-NH1 3.7Å; E401-R404 PolarHBondContact OE2-NH1 3.33Å; E401-T405 PolarHBondContact O-N 2.97Å; E401-T405 VanDerWaalsContact O-N 3.08Å; E401-T405 PolarHBondContact O-OG1 2.6Å |
| 402 | A | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.1 | -50.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y353 T387 Y398 Y399 L400 R404 T405 I406 | Y353-A402 HydrophobicContact CD1-CB 4.2Å; Y353-A402 HydrophobicContact CD2-CB 4.33Å; Y353-A402 HydrophobicContact CE1-CB 3.71Å; Y353-A402 HydrophobicContact CE2-CB 3.9Å; Y353-A402 HydrophobicContact CG-CB 4.48Å; Y353-A402 VanDerWaalsContact CZ-CA 3.42Å; Y353-A402 WeakPolarHBondContact OH-CA 3.4Å; Y353-A402 PolarHBondContact OH-N 2.88Å; T387-A402 HydrophobicContact CG2-CB 3.91Å; Y398-A402 PolarHBondContact O-N 3.15Å; Y398-A402 VanDerWaalsContact O-N 3.07Å; Y399-A402 WeakPolarHBondContact O-CB 3.47Å; Y399-A402 PolarHBondContact O-N 3.13Å; L400-A402 VanDerWaalsContact C-N 3.31Å; L400-A402 PolarHBondContact O-N 3.47Å; A402-R404 VanDerWaalsContact C-N 3.27Å; A402-R404 PolarHBondContact O-N 3.41Å; A402-T405 WeakPolarHBondContact O-CA 3.3Å; A402-T405 WeakPolarHBondContact O-CB 3.39Å; A402-T405 PolarHBondContact O-N 3.4Å; A402-I406 WeakPolarHBondContact O-CG1 3.36Å; A402-I406 PolarHBondContact O-N 3.11Å |
| 403 | G | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.4 | -38.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y399 L400 I406 L407 | Y399-G403 PolarHBondContact O-N 2.95Å; L400-G403 PolarHBondContact O-N 3.16Å; G403-I406 WeakPolarHBondContact O-CB 3.3Å; G403-I406 PolarHBondContact O-N 3.2Å; G403-L407 WeakPolarHBondContact O-CG 3.46Å; G403-L407 PolarHBondContact O-N 3.32Å |
| 404 | R | 97.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 36.2 Ų | 36.2 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.5 | -43 | 173.8 | 177.6 | -167.4 | -177.6 | 163.1 | 7.9 | 111.5 | M21 F29 L400 E401 A402 I406 L407 D408 | M21-R404 HydrophobicContact CE-CB 4.4Å; F29-R404 HydrophobicContact CE1-CG 3.82Å; F29-R404 HydrophobicContact CE2-CG 4.38Å; F29-R404 HydrophobicContact CZ-CG 3.73Å; L400-R404 WeakPolarHBondContact O-CB 3.24Å; L400-R404 PolarHBondContact O-N 2.98Å; E401-R404 IonicContact OE1-NH1 2.7Å; E401-R404 PolarHBondContact OE1-NH1 3.03Å; E401-R404 WeakPolarHBondContact OE2-CD 3.42Å; E401-R404 IonicContact OE2-CZ 3.91Å; E401-R404 IonicContact OE2-NE 3.69Å; E401-R404 IonicContact OE2-NH1 3.7Å; E401-R404 PolarHBondContact OE2-NH1 3.33Å; A402-R404 VanDerWaalsContact C-N 3.27Å; A402-R404 PolarHBondContact O-N 3.41Å; R404-I406 PolarHBondContact O-N 3.35Å; R404-L407 PolarHBondContact O-N 3.33Å; R404-D408 IonicContact NE-OD2 3.75Å; R404-D408 WeakPolarHBondContact O-CB 3.42Å; R404-D408 PolarHBondContact O-N 3Å |
| 405 | T | 97.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 175.8 | -56 | 0 | 0 | 0 | 0 | 110.7 | Y353 E401 A402 N409 | Y353-T405 HydrophobicContact CE2-CG2 4.26Å; Y353-T405 PolarHBondContact OH-OG1 2.69Å; E401-T405 PolarHBondContact O-N 2.97Å; E401-T405 VanDerWaalsContact O-N 3.08Å; E401-T405 PolarHBondContact O-OG1 2.6Å; A402-T405 WeakPolarHBondContact O-CA 3.3Å; A402-T405 WeakPolarHBondContact O-CB 3.39Å; A402-T405 PolarHBondContact O-N 3.4Å; T405-N409 VanDerWaalsContact O-CB 3.26Å; T405-N409 WeakPolarHBondContact O-CB 3.29Å; T405-N409 PolarHBondContact O-N 3.41Å; T405-N409 PolarHBondContact O-ND2 2.68Å |
| 406 | I | 97.9 | Very high | 96.3 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.5 | -50.1 | 173.7 | -58.1 | 168.8 | 0 | 0 | 0 | 110.5 | F383 A384 A402 G403 R404 D408 N409 L410 M443 L447 | F383-I406 HydrophobicContact CD1-CD1 3.65Å; F383-I406 HydrophobicContact CD1-CG1 4.09Å; F383-I406 HydrophobicContact CE1-CD1 3.83Å; F383-I406 HydrophobicContact CE1-CG1 4.06Å; A384-I406 HydrophobicContact CB-CD1 4.11Å; A402-I406 WeakPolarHBondContact O-CG1 3.36Å; A402-I406 PolarHBondContact O-N 3.11Å; G403-I406 WeakPolarHBondContact O-CB 3.3Å; G403-I406 PolarHBondContact O-N 3.2Å; R404-I406 PolarHBondContact O-N 3.35Å; I406-D408 PolarHBondContact O-N 3.13Å; I406-N409 PolarHBondContact O-N 2.64Å; I406-L410 HydrophobicContact CG2-CD1 3.85Å; I406-L410 HydrophobicContact CG2-CG 4.3Å; I406-L410 WeakPolarHBondContact O-CB 3.33Å; I406-L410 WeakPolarHBondContact O-CG 3.34Å; I406-L410 PolarHBondContact O-N 3.32Å; I406-M443 HydrophobicContact CG2-CE 4.08Å; I406-M443 HydrophobicContact CG2-SD 4.31Å; I406-L447 HydrophobicContact CB-CD2 4.31Å; I406-L447 HydrophobicContact CD1-CD2 4.41Å; I406-L447 HydrophobicContact CG2-CD1 4.03Å; I406-L447 HydrophobicContact CG2-CD2 4.24Å |
| 407 | L | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 179.6 | -70.7 | 176.2 | 0 | 0 | 0 | 113.8 | F29 V33 M36 G403 R404 N409 N411 L447 F451 | F29-L407 HydrophobicContact CB-CD1 4.05Å; F29-L407 HydrophobicContact CD1-CD1 4.17Å; F29-L407 HydrophobicContact CG-CD1 4.47Å; V33-L407 HydrophobicContact CG2-CD1 4.06Å; V33-L407 HydrophobicContact CG2-CD2 3.87Å; M36-L407 HydrophobicContact CE-CD2 4.11Å; M36-L407 HydrophobicContact SD-CD2 3.58Å; M36-L407 VanDerWaalsContact SD-CD2 3.58Å; G403-L407 WeakPolarHBondContact O-CG 3.46Å; G403-L407 PolarHBondContact O-N 3.32Å; R404-L407 PolarHBondContact O-N 3.33Å; L407-N409 VanDerWaalsContact C-N 3.34Å; L407-N411 WeakPolarHBondContact O-CB 3.22Å; L407-N411 PolarHBondContact O-N 2.96Å; L407-N411 PolarHBondContact O-ND2 3.3Å; L407-L447 HydrophobicContact CD2-CB 4.44Å; L407-L447 HydrophobicContact CD2-CD1 3.86Å; L407-F451 HydrophobicContact CD1-CD2 3.86Å; L407-F451 HydrophobicContact CD1-CE2 3.39Å; L407-F451 HydrophobicContact CD1-CZ 4.14Å; L407-F451 HydrophobicContact CG-CE2 4.24Å |
| 408 | D | 97.6 | Very high | 97 | Very high | 69 Ų | 69 | 38.6 Ų | 38.6 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66 | -38.7 | 178.8 | -78 | -23.1 | 0 | 0 | 0 | 110.2 | R404 I406 R412 | R404-D408 IonicContact NE-OD2 3.75Å; R404-D408 WeakPolarHBondContact O-CB 3.42Å; R404-D408 PolarHBondContact O-N 3Å; I406-D408 PolarHBondContact O-N 3.13Å; D408-R412 WeakPolarHBondContact O-CB 3.26Å; D408-R412 PolarHBondContact O-N 3.38Å |
| 409 | N | 97.6 | Very high | 97.3 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 10% | 0.096 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.6 | -40.5 | 177.9 | -70.3 | -11.6 | 0 | 0 | 0 | 112.8 | N360 F361 T405 I406 L407 R412 F413 | N360-N409 PolarHBondContact O-ND2 2.87Å; F361-N409 HydrophobicContact CE1-CB 4.36Å; F361-N409 HydrophobicContact CZ-CB 4.35Å; T405-N409 VanDerWaalsContact O-CB 3.26Å; T405-N409 WeakPolarHBondContact O-CB 3.29Å; T405-N409 PolarHBondContact O-N 3.41Å; T405-N409 PolarHBondContact O-ND2 2.68Å; I406-N409 PolarHBondContact O-N 2.64Å; L407-N409 VanDerWaalsContact C-N 3.34Å; N409-R412 PolarHBondContact O-N 3.06Å; N409-F413 HydrophobicContact CB-CD2 4.06Å; N409-F413 HydrophobicContact CB-CE2 4.44Å; N409-F413 WeakPolarHBondContact O-CB 3.42Å; N409-F413 WeakPolarHBondContact O-CD2 3.28Å; N409-F413 PolarHBondContact O-N 3.35Å |
| 410 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -58.2 | -49.7 | 172.8 | -76.3 | 171.6 | 0 | 0 | 0 | 111.3 | M36 F361 L379 I406 R412 A414 R415 F420 F439 M443 L447 | M36-L410 HydrophobicContact CE-CB 3.59Å; M36-L410 HydrophobicContact CE-CD1 4.03Å; M36-L410 HydrophobicContact CE-CG 4.47Å; F361-L410 HydrophobicContact CE1-CD2 4.12Å; L379-L410 HydrophobicContact CD2-CD2 4.17Å; I406-L410 HydrophobicContact CG2-CD1 3.85Å; I406-L410 HydrophobicContact CG2-CG 4.3Å; I406-L410 WeakPolarHBondContact O-CB 3.33Å; I406-L410 WeakPolarHBondContact O-CG 3.34Å; I406-L410 PolarHBondContact O-N 3.32Å; L410-R412 VanDerWaalsContact C-N 3.34Å; L410-R412 PolarHBondContact O-N 2.94Å; L410-A414 HydrophobicContact CD2-CB 4.18Å; L410-A414 PolarHBondContact O-N 2.94Å; L410-R415 PolarHBondContact O-N 2.8Å; L410-F420 HydrophobicContact CB-CE1 4.21Å; L410-F439 HydrophobicContact CD1-CE2 4.26Å; L410-F439 HydrophobicContact CD1-CZ 4.45Å; L410-F439 HydrophobicContact CD2-CE2 3.87Å; L410-F439 HydrophobicContact CD2-CZ 4.13Å; L410-M443 HydrophobicContact CD1-CE 4.35Å; L410-M443 HydrophobicContact CD1-SD 4.35Å; L410-L447 HydrophobicContact CD1-CD1 4.08Å |
| 411 | N | 98 | Very high | 97.5 | Very high | 41 Ų | 41 | 36.5 Ų | 36.5 | 22% | 0.219 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -65.6 | -34.3 | 178 | -80.4 | -71.5 | 0 | 0 | 0 | 113.5 | Q32 M36 L407 R415 | Q32-N411 PolarHBondContact NE2-ND2 2.71Å; M36-N411 WeakPolarHBondContact CE-ND2 3.49Å; M36-N411 PolarHBondContact SD-ND2 3.38Å; L407-N411 WeakPolarHBondContact O-CB 3.22Å; L407-N411 PolarHBondContact O-N 2.96Å; L407-N411 PolarHBondContact O-ND2 3.3Å; N411-R415 WeakPolarHBondContact OD1-CD 3.23Å; N411-R415 PolarHBondContact OD1-NH1 3Å; N411-R415 VanDerWaalsContact OD1-NH1 3.14Å |
| 412 | R | 97.2 | Very high | 97.6 | Very high | 184 Ų | 184 | 33 Ų | 33 | 69% | 0.694 | 16% | 0.158 | S | C | * | . | I | π-helix | trans | -82.9 | -33.6 | -174.6 | -179.7 | 175.5 | 177.4 | -175.8 | -2.4 | 113.9 | D408 N409 L410 | D408-R412 WeakPolarHBondContact O-CB 3.26Å; D408-R412 PolarHBondContact O-N 3.38Å; N409-R412 PolarHBondContact O-N 3.06Å; L410-R412 VanDerWaalsContact C-N 3.34Å; L410-R412 PolarHBondContact O-N 2.94Å |
| 413 | F | 96.9 | Very high | 97.5 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -120.4 | -36.8 | -169.1 | -59.8 | -69 | 0 | 0 | 0 | 113.7 | N360 F361 N409 H431 | N360-F413 HydrophobicContact CB-CD2 4.06Å; N360-F413 HydrophobicContact CB-CE2 3.72Å; N360-F413 HydrophobicContact CB-CZ 4.31Å; N360-F413 WeakPolarHBondContact OD1-CE2 3.17Å; N360-F413 WeakPolarHBondContact OD1-CZ 3.27Å; F361-F413 HydrophobicContact CE2-CB 3.6Å; F361-F413 HydrophobicContact CE2-CD2 4.24Å; F361-F413 HydrophobicContact CE2-CG 4.26Å; F361-F413 HydrophobicContact CZ-CB 3.9Å; N409-F413 HydrophobicContact CB-CD2 4.06Å; N409-F413 HydrophobicContact CB-CE2 4.44Å; N409-F413 WeakPolarHBondContact O-CB 3.42Å; N409-F413 WeakPolarHBondContact O-CD2 3.28Å; N409-F413 PolarHBondContact O-N 3.35Å; F413-H431 PolarHBondContact O-NE2 2.66Å |
| 414 | A | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -95.5 | -27.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | F361 L379 L410 V416 F420 A421 M423 | F361-A414 HydrophobicContact CZ-CB 4.17Å; L379-A414 HydrophobicContact CD2-CB 3.74Å; L410-A414 HydrophobicContact CD2-CB 4.18Å; L410-A414 PolarHBondContact O-N 2.94Å; A414-V416 PolarHBondContact O-N 2.83Å; A414-F420 HydrophobicContact CB-CD1 4.16Å; A414-F420 CarbonylContact O-C 3.59Å; A414-F420 WeakPolarHBondContact O-CA 3.19Å; A414-A421 PolarHBondContact O-N 3Å; A414-M423 HydrophobicContact CB-SD 4.38Å |
| 415 | R | 98.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 25% | 0.249 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 128.9 | -177.4 | -165 | 171.6 | -178.7 | 168.9 | -2.8 | 112.2 | E35 H39 L410 N411 F420 | E35-R415 IonicContact OE1-CZ 3.44Å; E35-R415 IonicContact OE1-NH1 3.29Å; E35-R415 PolarHBondContact OE1-NH1 3.13Å; E35-R415 IonicContact OE1-NH2 2.7Å; E35-R415 PolarHBondContact OE1-NH2 3.39Å; E35-R415 IonicContact OE2-CZ 3.61Å; E35-R415 IonicContact OE2-NH1 2.75Å; E35-R415 PolarHBondContact OE2-NH1 3.07Å; E35-R415 IonicContact OE2-NH2 3.6Å; H39-R415 PolarHBondContact ND1-NH2 2.92Å; L410-R415 PolarHBondContact O-N 2.8Å; N411-R415 WeakPolarHBondContact OD1-CD 3.23Å; N411-R415 PolarHBondContact OD1-NH1 3Å; N411-R415 VanDerWaalsContact OD1-NH1 3.14Å; R415-F420 HydrophobicContact CB-CD1 3.83Å; R415-F420 HydrophobicContact CB-CE1 3.51Å; R415-F420 HydrophobicContact CB-CZ 4.04Å; R415-F420 HydrophobicContact CG-CD1 4.27Å; R415-F420 HydrophobicContact CG-CE1 3.79Å; R415-F420 HydrophobicContact CG-CE2 4.24Å; R415-F420 HydrophobicContact CG-CZ 3.77Å |
| 416 | V | 98.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 169.2 | -179.9 | -65.5 | 0 | 0 | 0 | 0 | 109.7 | H39 P56 L57 A414 C418 G419 A421 | H39-V416 PolarHBondContact CE1-O 3.41Å; H39-V416 VanDerWaalsContact CE1-O 3.31Å; H39-V416 PolarHBondContact NE2-O 3.43Å; P56-V416 HydrophobicContact CB-CG2 3.7Å; P56-V416 HydrophobicContact CG-CG2 4.13Å; P56-V416 WeakPolarHBondContact O-CG2 3.38Å; L57-V416 HydrophobicContact CD2-CB 4.22Å; L57-V416 HydrophobicContact CD2-CG1 3.77Å; L57-V416 HydrophobicContact CD2-CG2 4.26Å; A414-V416 PolarHBondContact O-N 2.83Å; V416-C418 VanDerWaalsContact C-N 3.27Å; V416-C418 PolarHBondContact O-N 2.87Å; V416-G419 WeakPolarHBondContact CG2-O 3.35Å; V416-G419 PolarHBondContact N-O 3.28Å; V416-G419 PolarHBondContact O-N 3.35Å; V416-A421 HydrophobicContact CG1-CB 3.98Å; V416-A421 HydrophobicContact CG2-CB 4.02Å |
| 417 | P | 98 | Very high | 96.4 | Very high | 111 Ų | 111 | 42 Ų | 42 | 72% | 0.721 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -39.2 | -172.9 | -28.8 | 37.2 | 0 | 0 | 0 | 114.1 | H39 | H39-P417 PolarHBondContact CE1-O 2.96Š|
| 418 | C | 97.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 36 | -175.5 | -56.4 | 0 | 0 | 0 | 0 | 113.1 | N43 L54 P56 C59 V416 | N43-C418 WeakPolarHBondContact OD1-CA 3.32Å; L54-C418 VanDerWaalsContact CD2-O 3.27Å; L54-C418 WeakPolarHBondContact CD2-O 3.43Å; P56-C418 WeakPolarHBondContact CA-O 3.5Å; P56-C418 WeakPolarHBondContact CB-O 3.27Å; P56-C418 WeakPolarHBondContact O-CB 3.12Å; C59-C418 HydrophobicContact CB-CB 3.71Å; C59-C418 WeakPolarHBondContact CB-SG 3.04Å; C59-C418 WeakPolarHBondContact SG-CB 3.4Å; C59-C418 CovalentContact SG-SG 2.03Å; C59-C418 PolarHBondContact SG-SG 3.12Å; V416-C418 VanDerWaalsContact C-N 3.27Å; V416-C418 PolarHBondContact O-N 2.87Å |
| 419 | G | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.7 | -141.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H39 V416 | H39-G419 PolarHBondContact NE2-N 2.87Å; H39-G419 PolarHBondContact NE2-O 2.93Å; V416-G419 WeakPolarHBondContact CG2-O 3.35Å; V416-G419 PolarHBondContact N-O 3.28Å; V416-G419 PolarHBondContact O-N 3.35Å |
| 420 | F | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.2 | 173 | -71.5 | -103.8 | 0 | 0 | 0 | 109.3 | M36 H39 A40 P56 L379 L410 A414 R415 M435 F439 F444 | M36-F420 HydrophobicContact CB-CE2 4.17Å; M36-F420 HydrophobicContact CB-CZ 3.82Å; M36-F420 HydrophobicContact CE-CE1 3.68Å; M36-F420 HydrophobicContact CE-CZ 3.68Å; M36-F420 HydrophobicContact CG-CZ 3.92Å; H39-F420 AromaticContact CD2-CE2 3.63Å; A40-F420 HydrophobicContact CB-CD2 3.99Å; A40-F420 HydrophobicContact CB-CE2 4.26Å; P56-F420 WeakPolarHBondContact CG-O 3.18Å; L379-F420 HydrophobicContact CD1-CB 3.89Å; L410-F420 HydrophobicContact CB-CE1 4.21Å; A414-F420 HydrophobicContact CB-CD1 4.16Å; A414-F420 CarbonylContact O-C 3.59Å; A414-F420 WeakPolarHBondContact O-CA 3.19Å; R415-F420 HydrophobicContact CB-CD1 3.83Å; R415-F420 HydrophobicContact CB-CE1 3.51Å; R415-F420 HydrophobicContact CB-CZ 4.04Å; R415-F420 HydrophobicContact CG-CD1 4.27Å; R415-F420 HydrophobicContact CG-CE1 3.79Å; R415-F420 HydrophobicContact CG-CE2 4.24Å; R415-F420 HydrophobicContact CG-CZ 3.77Å; F420-M435 HydrophobicContact CB-SD 4.38Å; F420-M435 WeakPolarHBondContact O-CB 3.28Å; F420-M435 VanDerWaalsContact O-CG 3.28Å; F420-M435 WeakPolarHBondContact O-CG 3.49Å; F420-F439 HydrophobicContact CB-CD1 4.27Å; F420-F439 HydrophobicContact CB-CE1 3.52Å; F420-F439 HydrophobicContact CB-CZ 3.9Å; F420-F439 HydrophobicContact CD1-CE1 4.28Å; F420-F439 HydrophobicContact CD1-CZ 4.02Å; F420-F439 AromaticContact CD2-CE1 3.63Å; F420-F439 HydrophobicContact CD2-CE1 3.63Å; F420-F439 HydrophobicContact CD2-CZ 4.14Å; F420-F439 HydrophobicContact CE2-CE1 4.41Å; F420-F439 AromaticContact CG-CE1 3.56Å; F420-F439 HydrophobicContact CG-CE1 3.56Å; F420-F439 AromaticContact CG-CZ 3.77Å; F420-F439 HydrophobicContact CG-CZ 3.77Å; F420-F444 HydrophobicContact CD2-CZ 4.41Å; F420-F444 HydrophobicContact CE2-CZ 4.05Å; F420-F444 HydrophobicContact CZ-CZ 4.39Å |
| 421 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -93.9 | 134.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P56 L57 A414 V416 H431 | P56-A421 HydrophobicContact CG-CB 3.89Å; L57-A421 HydrophobicContact CD2-CB 3.73Å; L57-A421 HydrophobicContact CG-CB 4.16Å; A414-A421 PolarHBondContact O-N 3Å; V416-A421 HydrophobicContact CG1-CB 3.98Å; V416-A421 HydrophobicContact CG2-CB 4.02Å; A421-H431 HydrophobicContact CB-CB 4.01Å |
| 422 | A | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -52.4 | 148.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112 | P378 H431 E432 R434 | P378-A422 HydrophobicContact CB-CB 4.4Å; A422-H431 CarbonylContact O-C 3.57Å; A422-H431 WeakPolarHBondContact O-CA 3.48Å; A422-E432 HydrophobicContact CB-CB 4.17Å; A422-E432 PolarHBondContact O-N 3.15Å; A422-R434 HydrophobicContact CB-CB 4.1Å; A422-R434 HydrophobicContact CB-CG 4.26Å; A422-R434 PolarHBondContact N-O 2.95Å |
| 423 | M | 95.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.7 | 175.3 | -53.2 | -55.7 | -56.3 | 0 | 0 | 109.5 | F361 Q376 H377 A414 V426 | F361-M423 HydrophobicContact CD2-CG 3.83Å; F361-M423 HydrophobicContact CE2-CG 3.69Å; F361-M423 HydrophobicContact CE2-SD 3.94Å; F361-M423 HydrophobicContact CZ-CG 4.27Å; F361-M423 HydrophobicContact CZ-SD 4.43Å; Q376-M423 CarbonylContact C-O 3.54Å; Q376-M423 WeakPolarHBondContact CA-O 3.22Å; H377-M423 HydrophobicContact CB-CB 4.19Å; H377-M423 PolarHBondContact N-O 3.22Å; H377-M423 PolarHBondContact O-N 3.15Å; A414-M423 HydrophobicContact CB-SD 4.38Å; M423-V426 HydrophobicContact CB-CG1 4.08Å |
| 424 | K | 92.6 | Very high | 95 | Very high | 122 Ų | 122 | 42.2 Ų | 42.2 | 53% | 0.53 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -34.9 | 173.3 | -176 | 165.7 | -177 | 163.6 | 0 | 112.3 | S430 H431 E432 | K424-S430 PolarHBondContact N-O 3.29Å; K424-H431 WeakPolarHBondContact CB-O 3.45Å; K424-E432 HydrophobicContact CB-CB 4.18Å |
| 425 | D | 91.8 | Very high | 94.9 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 14% | 0.139 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 106.9 | 174.7 | -173.5 | -29.2 | 0 | 0 | 0 | 110.7 | A375 R427 T428 G429 S430 | A375-D425 HydrophobicContact CB-CB 4.04Å; A375-D425 VanDerWaalsContact CB-CG 3.49Å; A375-D425 WeakPolarHBondContact CB-OD1 3.12Å; A375-D425 CarbonylContact O-C 3.3Å; A375-D425 VanDerWaalsContact O-CA 3.27Å; A375-D425 WeakPolarHBondContact O-CA 3.44Å; D425-R427 PolarHBondContact O-N 2.05Å; D425-R427 VanDerWaalsContact O-N 3.13Å; D425-R427 WeakPolarHBondContact OD1-CA 3.48Å; D425-R427 WeakPolarHBondContact OD1-CB 3.22Å; D425-R427 VanDerWaalsContact OD1-CG 3.3Å; D425-R427 WeakPolarHBondContact OD1-CG 3.2Å; D425-R427 IonicContact OD1-CZ 3.96Å; D425-R427 PolarHBondContact OD1-N 2.56Å; D425-R427 IonicContact OD1-NE 2.9Å; D425-R427 PolarHBondContact OD1-NE 3.12Å; D425-R427 IonicContact OD1-NH2 2.84Å; D425-R427 IonicContact OD2-CZ 3.17Å; D425-R427 IonicContact OD2-NE 3.45Å; D425-R427 PolarHBondContact OD2-NE 3.47Å; D425-R427 IonicContact OD2-NH2 4Å; D425-R427 PolarHBondContact OD2-NH2 2.9Å; D425-T428 HydrophobicContact CB-CG2 4.31Å; D425-T428 WeakPolarHBondContact CB-OG1 3.36Å; D425-T428 PolarHBondContact O-N 3.18Å; D425-T428 VanDerWaalsContact O-N 3.14Å; D425-T428 PolarHBondContact O-OG1 3.31Å; D425-T428 VanDerWaalsContact O-OG1 3.13Å; D425-G429 PolarHBondContact O-N 3.47Å; D425-S430 PolarHBondContact N-O 3.15Å |
| 426 | V | 92.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.5 | -179.8 | -61.6 | 0 | 0 | 0 | 0 | 114 | H359 F361 P363 V372 A375 H377 M423 | H359-V426 HydrophobicContact CB-CG2 4.17Å; F361-V426 HydrophobicContact CB-CG1 3.86Å; F361-V426 HydrophobicContact CD2-CG1 4.27Å; F361-V426 HydrophobicContact CG-CG1 4.49Å; P363-V426 HydrophobicContact CB-CG2 4.11Å; V372-V426 HydrophobicContact CG2-CG2 4.16Å; A375-V426 WeakPolarHBondContact O-CG1 3.41Å; A375-V426 PolarHBondContact O-N 2.91Å; H377-V426 HydrophobicContact CB-CG1 3.75Å; M423-V426 HydrophobicContact CB-CG1 4.08Å |
| 427 | R | 88.2 | Confident | 94.8 | Very high | 154 Ų | 154 | 38.5 Ų | 38.5 | 58% | 0.581 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -29.7 | 179 | -48.5 | 167.3 | -71.3 | -159.6 | 4.5 | 111.8 | V372 D425 | V372-R427 HydrophobicContact CB-CG 4.33Å; V372-R427 HydrophobicContact CG1-CG 4.42Å; V372-R427 HydrophobicContact CG2-CG 3.87Å; D425-R427 PolarHBondContact O-N 2.05Å; D425-R427 VanDerWaalsContact O-N 3.13Å; D425-R427 WeakPolarHBondContact OD1-CA 3.48Å; D425-R427 WeakPolarHBondContact OD1-CB 3.22Å; D425-R427 VanDerWaalsContact OD1-CG 3.3Å; D425-R427 WeakPolarHBondContact OD1-CG 3.2Å; D425-R427 IonicContact OD1-CZ 3.96Å; D425-R427 PolarHBondContact OD1-N 2.56Å; D425-R427 IonicContact OD1-NE 2.9Å; D425-R427 PolarHBondContact OD1-NE 3.12Å; D425-R427 IonicContact OD1-NH2 2.84Å; D425-R427 IonicContact OD2-CZ 3.17Å; D425-R427 IonicContact OD2-NE 3.45Å; D425-R427 PolarHBondContact OD2-NE 3.47Å; D425-R427 IonicContact OD2-NH2 4Å; D425-R427 PolarHBondContact OD2-NH2 2.9Å |
| 428 | T | 91.6 | Very high | 94.8 | Very high | 98 Ų | 98 | 33.6 Ų | 33.6 | 60% | 0.601 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -24.9 | -179.4 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | D425 S430 | D425-T428 HydrophobicContact CB-CG2 4.31Å; D425-T428 WeakPolarHBondContact CB-OG1 3.36Å; D425-T428 PolarHBondContact O-N 3.18Å; D425-T428 VanDerWaalsContact O-N 3.14Å; D425-T428 PolarHBondContact O-OG1 3.31Å; D425-T428 VanDerWaalsContact O-OG1 3.13Å; T428-S430 VanDerWaalsContact C-N 3.35Å; T428-S430 WeakPolarHBondContact OG1-CB 3.48Å; T428-S430 PolarHBondContact OG1-N 2.8Å; T428-S430 VanDerWaalsContact OG1-N 3.12Å; T428-S430 PolarHBondContact OG1-OG 2.65Å |
| 429 | G | 89.6 | Confident | 94.8 | Very high | 33 Ų | 33 | 33 Ų | 33 | 34% | 0.34 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 15.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D425 | D425-G429 PolarHBondContact O-N 3.47Š|
| 430 | S | 92.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 33 Ų | 33 | 33% | 0.329 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 139.8 | 177.1 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | K424 D425 T428 | K424-S430 PolarHBondContact N-O 3.29Å; D425-S430 PolarHBondContact N-O 3.15Å; T428-S430 VanDerWaalsContact C-N 3.35Å; T428-S430 WeakPolarHBondContact OG1-CB 3.48Å; T428-S430 PolarHBondContact OG1-N 2.8Å; T428-S430 VanDerWaalsContact OG1-N 3.12Å; T428-S430 PolarHBondContact OG1-OG 2.65Å |
| 431 | H | 96.3 | Very high | 94.8 | Very high | 66 Ų | 66 | 33 Ų | 33 | 31% | 0.306 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 159.4 | 178.7 | -59.3 | 109.6 | 0 | 0 | 0 | 114.3 | L57 F413 A421 A422 K424 | L57-H431 HydrophobicContact CD1-CB 3.74Å; L57-H431 HydrophobicContact CD2-CB 4.15Å; F413-H431 PolarHBondContact O-NE2 2.66Å; A421-H431 HydrophobicContact CB-CB 4.01Å; A422-H431 CarbonylContact O-C 3.57Å; A422-H431 WeakPolarHBondContact O-CA 3.48Å; K424-H431 WeakPolarHBondContact CB-O 3.45Å |
| 432 | E | 93 | Very high | 94.9 | Very high | 53 Ų | 53 | 33.7 Ų | 33.7 | 25% | 0.248 | 17% | 0.172 | C | C | . | . | trans | -111.3 | 144 | 160 | -173.7 | 172.1 | 129.6 | 0 | 0 | 108.3 | A422 K424 R434 | A422-E432 HydrophobicContact CB-CB 4.17Å; A422-E432 PolarHBondContact O-N 3.15Å; K424-E432 HydrophobicContact CB-CB 4.18Å; E432-R434 HydrophobicContact CG-CB 4.1Å; E432-R434 PolarHBondContact O-N 2.72Å; E432-R434 WeakPolarHBondContact OE1-CD 3.28Å; E432-R434 IonicContact OE1-NH1 2.67Å; E432-R434 PolarHBondContact OE1-NH1 3.19Å | ||
| 433 | D | 95.6 | Very high | 94.9 | Very high | 41 Ų | 41 | 33.9 Ų | 33.9 | 22% | 0.219 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -81.1 | 70.4 | -178 | -163.2 | 11.8 | 0 | 0 | 0 | 110.9 | M55 P56 L57 T58 | M55-D433 WeakPolarHBondContact CA-OD1 3.45Å; M55-D433 WeakPolarHBondContact CB-OD1 3.38Å; M55-D433 WeakPolarHBondContact CG-O 3.32Å; P56-D433 WeakPolarHBondContact CD-OD1 3.29Å; P56-D433 VanDerWaalsContact N-OD1 3.11Å; L57-D433 WeakPolarHBondContact CA-OD1 3.47Å; L57-D433 HydrophobicContact CB-CB 4.19Å; L57-D433 VanDerWaalsContact CB-OD1 3.26Å; L57-D433 WeakPolarHBondContact CB-OD1 3.34Å; L57-D433 HydrophobicContact CD1-CB 3.92Å; L57-D433 HydrophobicContact CG-CB 4.18Å; L57-D433 PolarHBondContact N-OD1 3.14Å; T58-D433 VanDerWaalsContact CB-OD2 3.29Å; T58-D433 WeakPolarHBondContact CB-OD2 3.27Å; T58-D433 WeakPolarHBondContact CG2-OD2 3.5Å; T58-D433 PolarHBondContact N-OD1 2.9Å; T58-D433 PolarHBondContact N-OD2 2.66Å; T58-D433 PolarHBondContact OG1-OD2 3.13Å |
| 434 | R | 94.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | trans | -152.8 | 133.6 | -168 | 171.2 | 177.4 | -177.7 | 170.6 | 0.4 | 111.2 | A422 E432 D436 | A422-R434 HydrophobicContact CB-CB 4.1Å; A422-R434 HydrophobicContact CB-CG 4.26Å; A422-R434 PolarHBondContact N-O 2.95Å; E432-R434 HydrophobicContact CG-CB 4.1Å; E432-R434 PolarHBondContact O-N 2.72Å; E432-R434 WeakPolarHBondContact OE1-CD 3.28Å; E432-R434 IonicContact OE1-NH1 2.67Å; E432-R434 PolarHBondContact OE1-NH1 3.19Å; R434-D436 WeakPolarHBondContact CD-OD2 3.32Å; R434-D436 WeakPolarHBondContact CG-OD2 3.31Å; R434-D436 IonicContact CZ-OD1 2.75Å; R434-D436 IonicContact CZ-OD2 2.69Å; R434-D436 VanDerWaalsContact NE-CG 3.32Å; R434-D436 IonicContact NE-OD1 3.18Å; R434-D436 PolarHBondContact NE-OD1 3.24Å; R434-D436 VanDerWaalsContact NE-OD1 3.12Å; R434-D436 IonicContact NE-OD2 2.75Å; R434-D436 PolarHBondContact NE-OD2 2.99Å; R434-D436 IonicContact NH2-OD1 3.49Å; R434-D436 PolarHBondContact NH2-OD1 3.18Å; R434-D436 IonicContact NH2-OD2 2.6Å | ||
| 435 | M | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -138.4 | 100.3 | 165.5 | -166.2 | -178.9 | 88 | 0 | 0 | 108.6 | A40 L54 P56 L379 F420 F439 L440 | A40-M435 HydrophobicContact CB-CE 4.24Å; A40-M435 HydrophobicContact CB-SD 4.18Å; L54-M435 HydrophobicContact CB-CB 4.38Å; L54-M435 HydrophobicContact CB-CE 4.16Å; L54-M435 HydrophobicContact CD2-CE 3.66Å; L54-M435 HydrophobicContact CD2-SD 4.11Å; L54-M435 PolarHBondContact O-N 3.32Å; P56-M435 HydrophobicContact CG-CB 4.2Å; L379-M435 HydrophobicContact CD1-CG 4.5Å; F420-M435 HydrophobicContact CB-SD 4.38Å; F420-M435 WeakPolarHBondContact O-CB 3.28Å; F420-M435 VanDerWaalsContact O-CG 3.28Å; F420-M435 WeakPolarHBondContact O-CG 3.49Å; M435-F439 HydrophobicContact CG-CB 4.48Å; M435-F439 HydrophobicContact CG-CD1 3.97Å; M435-F439 HydrophobicContact SD-CD1 4.06Å; M435-L440 HydrophobicContact CE-CD1 4.46Å; M435-L440 HydrophobicContact CE-CG 4.43Å |
| 436 | D | 96.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | trans | -66.9 | 155.6 | 179 | -56.7 | -120.1 | 0 | 0 | 0 | 112.1 | R434 F438 F439 | R434-D436 WeakPolarHBondContact CD-OD2 3.32Å; R434-D436 WeakPolarHBondContact CG-OD2 3.31Å; R434-D436 IonicContact CZ-OD1 2.75Å; R434-D436 IonicContact CZ-OD2 2.69Å; R434-D436 VanDerWaalsContact NE-CG 3.32Å; R434-D436 IonicContact NE-OD1 3.18Å; R434-D436 PolarHBondContact NE-OD1 3.24Å; R434-D436 VanDerWaalsContact NE-OD1 3.12Å; R434-D436 IonicContact NE-OD2 2.75Å; R434-D436 PolarHBondContact NE-OD2 2.99Å; R434-D436 IonicContact NH2-OD1 3.49Å; R434-D436 PolarHBondContact NH2-OD1 3.18Å; R434-D436 IonicContact NH2-OD2 2.6Å; D436-F438 HydrophobicContact CB-CD1 3.73Å; D436-F438 HydrophobicContact CB-CD2 4.37Å; D436-F438 HydrophobicContact CB-CE1 3.3Å; D436-F438 HydrophobicContact CB-CE2 4Å; D436-F438 HydrophobicContact CB-CG 4.23Å; D436-F438 HydrophobicContact CB-CZ 3.44Å; D436-F438 VanDerWaalsContact CB-CZ 3.44Å; D436-F438 PolarHBondContact O-N 2.97Å; D436-F438 WeakPolarHBondContact OD1-CE1 3.41Å; D436-F439 WeakPolarHBondContact O-CB 3.2Å; D436-F439 PolarHBondContact O-N 2.82Å | ||
| 437 | S | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -39.4 | -175.7 | 66.7 | 0 | 0 | 0 | 0 | 113.9 | T83 D86 R127 F439 L440 A441 | T83-S437 WeakPolarHBondContact OG1-CB 3.46Å; D86-S437 WeakPolarHBondContact OD2-CB 3.28Å; D86-S437 PolarHBondContact OD2-OG 3.12Å; R127-S437 WeakPolarHBondContact CD-OG 3.31Å; R127-S437 PolarHBondContact NH1-OG 3.39Å; S437-F439 PolarHBondContact O-N 3.14Å; S437-L440 PolarHBondContact O-N 3.46Å; S437-A441 PolarHBondContact O-N 3.19Å |
| 438 | F | 97.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.035 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.4 | -21.9 | 176 | 58.6 | -109.4 | 0 | 0 | 0 | 113.7 | D86 P378 P381 D436 L440 A441 E442 M443 E469 | D86-F438 PolarHBondContact OD2-N 3.36Å; P378-F438 WeakPolarHBondContact O-CE2 3.09Å; P378-F438 WeakPolarHBondContact O-CZ 3.36Å; P381-F438 HydrophobicContact CG-CD2 4.19Å; D436-F438 HydrophobicContact CB-CD1 3.73Å; D436-F438 HydrophobicContact CB-CD2 4.37Å; D436-F438 HydrophobicContact CB-CE1 3.3Å; D436-F438 HydrophobicContact CB-CE2 4Å; D436-F438 HydrophobicContact CB-CG 4.23Å; D436-F438 HydrophobicContact CB-CZ 3.44Å; D436-F438 VanDerWaalsContact CB-CZ 3.44Å; D436-F438 PolarHBondContact O-N 2.97Å; D436-F438 WeakPolarHBondContact OD1-CE1 3.41Å; F438-L440 PolarHBondContact O-N 2.84Å; F438-A441 PolarHBondContact O-N 3.13Å; F438-E442 HydrophobicContact CB-CG 4.22Å; F438-E442 WeakPolarHBondContact O-CB 3.48Å; F438-E442 PolarHBondContact O-N 3.48Å; F438-M443 PolarHBondContact O-N 3Å; F438-E469 WeakPolarHBondContact CB-OE1 3.36Å |
| 439 | F | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -64.2 | -29.8 | 176.1 | -174 | -111.5 | 0 | 0 | 0 | 112.2 | A40 L379 L410 F420 M435 D436 S437 M443 F444 | A40-F439 HydrophobicContact CB-CE1 4.49Å; L379-F439 HydrophobicContact CB-CD2 3.41Å; L379-F439 VanDerWaalsContact CB-CD2 3.41Å; L379-F439 HydrophobicContact CB-CE2 3.84Å; L379-F439 HydrophobicContact CB-CG 4.1Å; L379-F439 HydrophobicContact CD1-CB 4.47Å; L379-F439 HydrophobicContact CD1-CD1 4.01Å; L379-F439 HydrophobicContact CD1-CD2 3.74Å; L379-F439 HydrophobicContact CD1-CE1 4.18Å; L379-F439 HydrophobicContact CD1-CE2 3.92Å; L379-F439 HydrophobicContact CD1-CG 3.78Å; L379-F439 HydrophobicContact CD1-CZ 4.14Å; L379-F439 HydrophobicContact CG-CD2 4.17Å; L379-F439 HydrophobicContact CG-CE2 4.37Å; L410-F439 HydrophobicContact CD1-CE2 4.26Å; L410-F439 HydrophobicContact CD1-CZ 4.45Å; L410-F439 HydrophobicContact CD2-CE2 3.87Å; L410-F439 HydrophobicContact CD2-CZ 4.13Å; F420-F439 HydrophobicContact CB-CD1 4.27Å; F420-F439 HydrophobicContact CB-CE1 3.52Å; F420-F439 HydrophobicContact CB-CZ 3.9Å; F420-F439 HydrophobicContact CD1-CE1 4.28Å; F420-F439 HydrophobicContact CD1-CZ 4.02Å; F420-F439 AromaticContact CD2-CE1 3.63Å; F420-F439 HydrophobicContact CD2-CE1 3.63Å; F420-F439 HydrophobicContact CD2-CZ 4.14Å; F420-F439 HydrophobicContact CE2-CE1 4.41Å; F420-F439 AromaticContact CG-CE1 3.56Å; F420-F439 HydrophobicContact CG-CE1 3.56Å; F420-F439 AromaticContact CG-CZ 3.77Å; F420-F439 HydrophobicContact CG-CZ 3.77Å; M435-F439 HydrophobicContact CG-CB 4.48Å; M435-F439 HydrophobicContact CG-CD1 3.97Å; M435-F439 HydrophobicContact SD-CD1 4.06Å; D436-F439 WeakPolarHBondContact O-CB 3.2Å; D436-F439 PolarHBondContact O-N 2.82Å; S437-F439 PolarHBondContact O-N 3.14Å; F439-M443 HydrophobicContact CD2-CB 3.68Å; F439-M443 HydrophobicContact CD2-CG 3.7Å; F439-M443 HydrophobicContact CE2-CB 3.9Å; F439-M443 HydrophobicContact CE2-CG 3.85Å; F439-M443 WeakPolarHBondContact O-CB 3.48Å; F439-F444 AromaticContact CD1-CE2 3.87Å; F439-F444 HydrophobicContact CD1-CE2 3.87Å; F439-F444 HydrophobicContact CD1-CZ 4.39Å; F439-F444 HydrophobicContact CE1-CD2 4.44Å; F439-F444 AromaticContact CE1-CE2 3.36Å; F439-F444 HydrophobicContact CE1-CE2 3.36Å; F439-F444 AromaticContact CE1-CZ 3.45Å; F439-F444 HydrophobicContact CE1-CZ 3.45Å; F439-F444 VanDerWaalsContact CE1-CZ 3.45Å; F439-F444 HydrophobicContact CE2-CZ 4.46Å; F439-F444 HydrophobicContact CZ-CE1 4.26Å; F439-F444 AromaticContact CZ-CE2 3.79Å; F439-F444 HydrophobicContact CZ-CE2 3.79Å; F439-F444 AromaticContact CZ-CZ 3.49Å; F439-F444 HydrophobicContact CZ-CZ 3.49Å; F439-F444 VanDerWaalsContact CZ-CZ 3.49Å; F439-F444 VanDerWaalsContact O-CD2 3.3Å; F439-F444 WeakPolarHBondContact O-CD2 3.25Å |
| 440 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -86.1 | -42.1 | 170.9 | -67.4 | -173.8 | 0 | 0 | 0 | 112.5 | F37 A40 Y41 T83 T87 M435 S437 F438 F444 | F37-L440 HydrophobicContact CD2-CD2 4.11Å; F37-L440 HydrophobicContact CE2-CB 4.43Å; F37-L440 HydrophobicContact CE2-CD2 4.19Å; A40-L440 HydrophobicContact CB-CD2 3.53Å; Y41-L440 HydrophobicContact CD2-CD1 4.12Å; T83-L440 HydrophobicContact CG2-CD1 3.6Å; T83-L440 HydrophobicContact CG2-CG 4.44Å; T87-L440 HydrophobicContact CG2-CB 3.98Å; T87-L440 HydrophobicContact CG2-CD1 4.3Å; T87-L440 VanDerWaalsContact OG1-CB 3.23Å; T87-L440 WeakPolarHBondContact OG1-CB 3.26Å; M435-L440 HydrophobicContact CE-CD1 4.46Å; M435-L440 HydrophobicContact CE-CG 4.43Å; S437-L440 PolarHBondContact O-N 3.46Å; F438-L440 PolarHBondContact O-N 2.84Å; L440-F444 HydrophobicContact CD2-CD2 3.88Å; L440-F444 HydrophobicContact CD2-CE2 3.89Å |
| 441 | A | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -74 | -30.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D86 T90 S437 F438 K445 | D86-A441 HydrophobicContact CB-CB 4.27Å; D86-A441 VanDerWaalsContact CG-CB 3.48Å; D86-A441 WeakPolarHBondContact O-CB 3.41Å; D86-A441 WeakPolarHBondContact OD1-CB 3.35Å; T90-A441 PolarHBondContact OG1-O 3.23Å; S437-A441 PolarHBondContact O-N 3.19Å; F438-A441 PolarHBondContact O-N 3.13Å; A441-K445 VanDerWaalsContact O-CB 3.31Å; A441-K445 WeakPolarHBondContact O-CB 3.34Å; A441-K445 VanDerWaalsContact O-CD 3.28Å; A441-K445 WeakPolarHBondContact O-CD 3.46Å; A441-K445 WeakPolarHBondContact O-CE 3.4Å; A441-K445 PolarHBondContact O-NZ 3.17Å |
| 442 | E | 98.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 8.7 Ų | 8.7 | 7% | 0.065 | 4% | 0.042 | C | C | . | . | I | π-helix | trans | -115.6 | -58.4 | -173.7 | -60.6 | -160.6 | -108.7 | 0 | 0 | 113.4 | P381 F438 F444 K445 Y446 A470 | P381-E442 HydrophobicContact CB-CB 3.56Å; P381-E442 HydrophobicContact CB-CG 4.45Å; P381-E442 HydrophobicContact CG-CB 3.83Å; P381-E442 VanDerWaalsContact CG-CD 3.43Å; P381-E442 HydrophobicContact CG-CG 4.22Å; P381-E442 WeakPolarHBondContact CG-OE1 3.49Å; F438-E442 HydrophobicContact CB-CG 4.22Å; F438-E442 WeakPolarHBondContact O-CB 3.48Å; F438-E442 PolarHBondContact O-N 3.48Å; E442-F444 PolarHBondContact O-N 3.41Å; E442-K445 WeakPolarHBondContact O-CA 3.38Å; E442-K445 WeakPolarHBondContact O-CB 3.49Å; E442-K445 PolarHBondContact O-N 3.39Å; E442-Y446 HydrophobicContact CB-CD2 4.23Å; E442-Y446 HydrophobicContact CB-CE2 3.99Å; E442-Y446 HydrophobicContact CG-CE2 4.49Å; E442-Y446 VanDerWaalsContact O-CD2 3.24Å; E442-Y446 WeakPolarHBondContact O-CD2 3.42Å; E442-Y446 PolarHBondContact O-N 3.4Å; E442-Y446 WeakPolarHBondContact OE2-CE2 3.43Å; E442-A470 HydrophobicContact CB-CB 4.23Å; E442-A470 HydrophobicContact CG-CB 3.74Å |
| 443 | M | 98.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 8.4 Ų | 8.4 | 3% | 0.03 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -56.6 | -50.2 | -168.5 | -112 | -62.4 | -161.7 | 0 | 0 | 111.6 | L379 R380 P381 A384 I406 L410 F438 F439 L447 | L379-M443 WeakPolarHBondContact O-CG 3.47Å; R380-M443 WeakPolarHBondContact O-CE 3.48Å; P381-M443 HydrophobicContact CB-CB 4.49Å; P381-M443 HydrophobicContact CB-CG 3.95Å; A384-M443 HydrophobicContact CB-SD 3.86Å; I406-M443 HydrophobicContact CG2-CE 4.08Å; I406-M443 HydrophobicContact CG2-SD 4.31Å; L410-M443 HydrophobicContact CD1-CE 4.35Å; L410-M443 HydrophobicContact CD1-SD 4.35Å; F438-M443 PolarHBondContact O-N 3Å; F439-M443 HydrophobicContact CD2-CB 3.68Å; F439-M443 HydrophobicContact CD2-CG 3.7Å; F439-M443 HydrophobicContact CE2-CB 3.9Å; F439-M443 HydrophobicContact CE2-CG 3.85Å; F439-M443 WeakPolarHBondContact O-CB 3.48Å; M443-L447 WeakPolarHBondContact O-CB 3.48Å; M443-L447 WeakPolarHBondContact O-CD1 3.29Å; M443-L447 WeakPolarHBondContact O-CG 3.45Å; M443-L447 PolarHBondContact O-N 3.38Å; M443-L447 VanDerWaalsContact O-N 3.13Å; M443-L447 HydrophobicContact SD-CD1 3.92Å |
| 444 | F | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -73.7 | -27.9 | 177.1 | -65.8 | -55.1 | 0 | 0 | 0 | 113.4 | V33 M36 F37 A40 F420 F439 L440 E442 F448 | V33-F444 HydrophobicContact CG1-CB 4.21Å; V33-F444 HydrophobicContact CG1-CD1 3.97Å; M36-F444 HydrophobicContact CB-CD1 4.32Å; M36-F444 HydrophobicContact CB-CE1 3.39Å; M36-F444 HydrophobicContact CB-CZ 3.75Å; M36-F444 HydrophobicContact CE-CE1 3.91Å; M36-F444 HydrophobicContact CE-CZ 4.49Å; M36-F444 HydrophobicContact CG-CE1 4.44Å; M36-F444 HydrophobicContact SD-CE1 4.31Å; F37-F444 HydrophobicContact CB-CB 4.27Å; F37-F444 HydrophobicContact CB-CD1 4.44Å; F37-F444 HydrophobicContact CB-CD2 4.04Å; F37-F444 HydrophobicContact CB-CG 4Å; F37-F444 HydrophobicContact CD2-CB 3.9Å; F37-F444 AromaticContact CD2-CD2 3.84Å; F37-F444 HydrophobicContact CD2-CD2 3.84Å; F37-F444 HydrophobicContact CD2-CG 4.13Å; F37-F444 HydrophobicContact CG-CD2 4.42Å; A40-F444 HydrophobicContact CB-CE2 3.91Å; A40-F444 HydrophobicContact CB-CZ 4.44Å; F420-F444 HydrophobicContact CD2-CZ 4.41Å; F420-F444 HydrophobicContact CE2-CZ 4.05Å; F420-F444 HydrophobicContact CZ-CZ 4.39Å; F439-F444 AromaticContact CD1-CE2 3.87Å; F439-F444 HydrophobicContact CD1-CE2 3.87Å; F439-F444 HydrophobicContact CD1-CZ 4.39Å; F439-F444 HydrophobicContact CE1-CD2 4.44Å; F439-F444 AromaticContact CE1-CE2 3.36Å; F439-F444 HydrophobicContact CE1-CE2 3.36Å; F439-F444 AromaticContact CE1-CZ 3.45Å; F439-F444 HydrophobicContact CE1-CZ 3.45Å; F439-F444 VanDerWaalsContact CE1-CZ 3.45Å; F439-F444 HydrophobicContact CE2-CZ 4.46Å; F439-F444 HydrophobicContact CZ-CE1 4.26Å; F439-F444 AromaticContact CZ-CE2 3.79Å; F439-F444 HydrophobicContact CZ-CE2 3.79Å; F439-F444 AromaticContact CZ-CZ 3.49Å; F439-F444 HydrophobicContact CZ-CZ 3.49Å; F439-F444 VanDerWaalsContact CZ-CZ 3.49Å; F439-F444 VanDerWaalsContact O-CD2 3.3Å; F439-F444 WeakPolarHBondContact O-CD2 3.25Å; L440-F444 HydrophobicContact CD2-CD2 3.88Å; L440-F444 HydrophobicContact CD2-CE2 3.89Å; E442-F444 PolarHBondContact O-N 3.41Å; F444-F448 WeakPolarHBondContact O-CB 3.46Å; F444-F448 PolarHBondContact O-N 2.98Å |
| 445 | K | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.1 | -54.5 | 175.7 | -172.3 | -179.4 | -77.2 | 160.6 | 0 | 110.5 | D89 T90 L93 A441 E442 F448 L449 F466 A470 | D89-K445 VanDerWaalsContact CG-NZ 3.3Å; D89-K445 WeakPolarHBondContact OD1-CE 3.48Å; D89-K445 IonicContact OD1-NZ 3.55Å; D89-K445 PolarHBondContact OD1-NZ 3.5Å; D89-K445 IonicContact OD2-NZ 3.69Å; D89-K445 PolarHBondContact OD2-NZ 3.09Å; D89-K445 VanDerWaalsContact OD2-NZ 3.12Å; T90-K445 HydrophobicContact CG2-CB 4.42Å; T90-K445 WeakPolarHBondContact OG1-CE 3.31Å; T90-K445 PolarHBondContact OG1-NZ 3.42Å; L93-K445 HydrophobicContact CD2-CG 3.62Å; A441-K445 VanDerWaalsContact O-CB 3.31Å; A441-K445 WeakPolarHBondContact O-CB 3.34Å; A441-K445 VanDerWaalsContact O-CD 3.28Å; A441-K445 WeakPolarHBondContact O-CD 3.46Å; A441-K445 WeakPolarHBondContact O-CE 3.4Å; A441-K445 PolarHBondContact O-NZ 3.17Å; E442-K445 WeakPolarHBondContact O-CA 3.38Å; E442-K445 WeakPolarHBondContact O-CB 3.49Å; E442-K445 PolarHBondContact O-N 3.39Å; K445-F448 PolarHBondContact O-N 3.06Å; K445-L449 HydrophobicContact CG-CD1 4.4Å; K445-L449 VanDerWaalsContact O-CG 3.27Å; K445-L449 WeakPolarHBondContact O-CG 3.49Å; K445-L449 PolarHBondContact O-N 2.93Å; K445-L449 VanDerWaalsContact O-N 3.12Å; K445-F466 HydrophobicContact CD-CD1 4.35Å; K445-F466 HydrophobicContact CD-CE1 4.05Å; K445-F466 HydrophobicContact CG-CE1 4.39Å; K445-A470 HydrophobicContact CD-CB 3.77Å; K445-A470 WeakPolarHBondContact CD-O 3.37Å; K445-A470 WeakPolarHBondContact CE-O 3.46Å; K445-A470 PolarHBondContact NZ-O 3.08Å |
| 446 | Y | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.4 | -40.9 | 177.9 | -63.3 | -56.3 | 0 | 0 | 0 | 113.1 | E385 Y388 E442 F448 L449 L450 F466 A470 | E385-Y446 HydrophobicContact CB-CD1 4.32Å; E385-Y446 HydrophobicContact CB-CD2 3.82Å; E385-Y446 HydrophobicContact CB-CE1 4.15Å; E385-Y446 HydrophobicContact CB-CE2 3.6Å; E385-Y446 HydrophobicContact CB-CG 4.17Å; E385-Y446 HydrophobicContact CG-CD1 4.33Å; E385-Y446 HydrophobicContact CG-CD2 4.48Å; E385-Y446 HydrophobicContact CG-CE1 3.78Å; E385-Y446 HydrophobicContact CG-CE2 3.94Å; Y388-Y446 AromaticContact CD1-CD1 3.97Å; Y388-Y446 HydrophobicContact CD1-CD1 3.97Å; Y388-Y446 HydrophobicContact CG-CD1 4.46Å; E442-Y446 HydrophobicContact CB-CD2 4.23Å; E442-Y446 HydrophobicContact CB-CE2 3.99Å; E442-Y446 HydrophobicContact CG-CE2 4.49Å; E442-Y446 VanDerWaalsContact O-CD2 3.24Å; E442-Y446 WeakPolarHBondContact O-CD2 3.42Å; E442-Y446 PolarHBondContact O-N 3.4Å; E442-Y446 WeakPolarHBondContact OE2-CE2 3.43Å; Y446-F448 PolarHBondContact O-N 3.01Å; Y446-L449 PolarHBondContact O-N 2.9Å; Y446-L450 WeakPolarHBondContact O-CB 3.42Å; Y446-L450 PolarHBondContact O-N 3.37Å; Y446-F466 HydrophobicContact CE1-CD1 4.14Å; Y446-F466 HydrophobicContact CE1-CE1 4.3Å; Y446-A470 HydrophobicContact CE1-CB 4.27Å; Y446-A470 HydrophobicContact CE2-CB 3.77Å; Y446-A470 VanDerWaalsContact CZ-CB 3.48Å; Y446-A470 WeakPolarHBondContact OH-CB 3.4Å |
| 447 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.2 | -34.5 | 177.6 | -69.3 | 169.4 | 0 | 0 | 0 | 112.1 | V33 A384 I406 L407 L410 M443 L450 F451 | V33-L447 HydrophobicContact CG1-CB 4.26Å; V33-L447 HydrophobicContact CG2-CB 4.04Å; A384-L447 HydrophobicContact CB-CD2 4.3Å; A384-L447 HydrophobicContact CB-CG 4.27Å; I406-L447 HydrophobicContact CB-CD2 4.31Å; I406-L447 HydrophobicContact CD1-CD2 4.41Å; I406-L447 HydrophobicContact CG2-CD1 4.03Å; I406-L447 HydrophobicContact CG2-CD2 4.24Å; L407-L447 HydrophobicContact CD2-CB 4.44Å; L407-L447 HydrophobicContact CD2-CD1 3.86Å; L410-L447 HydrophobicContact CD1-CD1 4.08Å; M443-L447 WeakPolarHBondContact O-CB 3.48Å; M443-L447 WeakPolarHBondContact O-CD1 3.29Å; M443-L447 WeakPolarHBondContact O-CG 3.45Å; M443-L447 PolarHBondContact O-N 3.38Å; M443-L447 VanDerWaalsContact O-N 3.13Å; M443-L447 HydrophobicContact SD-CD1 3.92Å; L447-L450 HydrophobicContact CD2-CD2 4.46Å; L447-F451 WeakPolarHBondContact O-CD2 3.43Å; L447-F451 PolarHBondContact O-N 3.47Å |
| 448 | F | 98.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.8 | -50.1 | 173.6 | 178.4 | -102 | 0 | 0 | 0 | 111 | R30 V33 V34 L93 L94 F444 K445 Y446 L450 F451 A452 | R30-F448 HydrophobicContact CG-CD2 3.78Å; R30-F448 HydrophobicContact CG-CE2 3.65Å; V33-F448 HydrophobicContact CG1-CB 3.98Å; V34-F448 HydrophobicContact CG2-CD2 4.06Å; V34-F448 HydrophobicContact CG2-CE2 3.99Å; L93-F448 HydrophobicContact CD2-CD1 4.31Å; L93-F448 HydrophobicContact CG-CD1 4.14Å; L93-F448 HydrophobicContact CG-CE1 4.28Å; L94-F448 HydrophobicContact CD2-CB 3.71Å; L94-F448 HydrophobicContact CD2-CD1 3.82Å; L94-F448 HydrophobicContact CD2-CD2 3.38Å; L94-F448 HydrophobicContact CD2-CE1 4.25Å; L94-F448 HydrophobicContact CD2-CE2 3.85Å; L94-F448 HydrophobicContact CD2-CG 3.36Å; L94-F448 HydrophobicContact CD2-CZ 4.26Å; F444-F448 WeakPolarHBondContact O-CB 3.46Å; F444-F448 PolarHBondContact O-N 2.98Å; K445-F448 PolarHBondContact O-N 3.06Å; Y446-F448 PolarHBondContact O-N 3.01Å; F448-L450 PolarHBondContact O-N 3.48Å; F448-F451 PolarHBondContact O-N 2.92Å; F448-F451 VanDerWaalsContact O-N 3.1Å; F448-A452 HydrophobicContact CE1-CB 4.34Å; F448-A452 WeakPolarHBondContact O-CB 3.48Å; F448-A452 PolarHBondContact O-N 3.09Å |
| 449 | L | 97.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 23 Ų | 23 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.3 | -30.6 | 179.9 | -68.5 | 167.7 | 0 | 0 | 0 | 113.4 | L93 Y388 K445 Y446 I457 V461 F466 | L93-L449 HydrophobicContact CD1-CD2 4Å; L93-L449 HydrophobicContact CD2-CD1 4.12Å; L93-L449 HydrophobicContact CD2-CD2 4.01Å; L93-L449 HydrophobicContact CD2-CG 3.94Å; Y388-L449 HydrophobicContact CD2-CB 3.71Å; Y388-L449 HydrophobicContact CE1-CD1 4.2Å; Y388-L449 HydrophobicContact CE2-CB 3.41Å; Y388-L449 VanDerWaalsContact CE2-CB 3.41Å; Y388-L449 HydrophobicContact CE2-CD1 4.49Å; Y388-L449 HydrophobicContact CE2-CG 4.46Å; Y388-L449 HydrophobicContact CG-CB 4.38Å; K445-L449 HydrophobicContact CG-CD1 4.4Å; K445-L449 VanDerWaalsContact O-CG 3.27Å; K445-L449 WeakPolarHBondContact O-CG 3.49Å; K445-L449 PolarHBondContact O-N 2.93Å; K445-L449 VanDerWaalsContact O-N 3.12Å; Y446-L449 PolarHBondContact O-N 2.9Å; L449-I457 HydrophobicContact CD2-CD1 4.1Å; L449-V461 HydrophobicContact CD2-CG2 3.96Å; L449-F466 HydrophobicContact CD1-CE1 3.91Å; L449-F466 HydrophobicContact CD1-CZ 3.63Å |
| 450 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -35.3 | 175 | 179.3 | 61 | 0 | 0 | 0 | 113 | T387 Y391 L400 Y446 L447 F448 | T387-L450 HydrophobicContact CG2-CD1 4.48Å; T387-L450 HydrophobicContact CG2-CD2 3.79Å; Y391-L450 HydrophobicContact CD1-CD1 3.64Å; Y391-L450 HydrophobicContact CG-CD1 3.64Å; L400-L450 HydrophobicContact CD2-CD1 3.9Å; L400-L450 HydrophobicContact CD2-CG 4.14Å; L400-L450 VanDerWaalsContact CD2-O 3.23Å; L400-L450 WeakPolarHBondContact CD2-O 3.22Å; Y446-L450 WeakPolarHBondContact O-CB 3.42Å; Y446-L450 PolarHBondContact O-N 3.37Å; L447-L450 HydrophobicContact CD2-CD2 4.46Å; F448-L450 PolarHBondContact O-N 3.48Å |
| 451 | F | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -103.9 | -13.6 | -176.2 | -67.3 | -63.2 | 0 | 0 | 0 | 115.2 | M21 K26 F29 R30 V33 L400 L407 L447 F448 | M21-F451 HydrophobicContact CE-CE1 4.06Å; M21-F451 HydrophobicContact SD-CD1 4.09Å; M21-F451 HydrophobicContact SD-CE1 3.78Å; K26-F451 VanDerWaalsContact CE-O 3.24Å; K26-F451 WeakPolarHBondContact CE-O 3.4Å; K26-F451 HydrophobicContact CG-CD1 4.48Å; F29-F451 HydrophobicContact CB-CB 4.4Å; F29-F451 HydrophobicContact CB-CD1 3.79Å; F29-F451 HydrophobicContact CB-CD2 4.02Å; F29-F451 HydrophobicContact CB-CE1 4.05Å; F29-F451 HydrophobicContact CB-CE2 4.28Å; F29-F451 HydrophobicContact CB-CG 3.79Å; F29-F451 HydrophobicContact CB-CZ 4.3Å; F29-F451 HydrophobicContact CD2-CE1 4.35Å; F29-F451 HydrophobicContact CG-CE1 4.4Å; R30-F451 HydrophobicContact CB-CB 3.85Å; V33-F451 HydrophobicContact CG2-CD2 4.25Å; L400-F451 HydrophobicContact CB-CE1 4.15Å; L400-F451 HydrophobicContact CD2-CD1 4.04Å; L400-F451 HydrophobicContact CD2-CE1 3.98Å; L400-F451 WeakPolarHBondContact O-CZ 3.36Å; L407-F451 HydrophobicContact CD1-CD2 3.86Å; L407-F451 HydrophobicContact CD1-CE2 3.39Å; L407-F451 HydrophobicContact CD1-CZ 4.14Å; L407-F451 HydrophobicContact CG-CE2 4.24Å; L447-F451 WeakPolarHBondContact O-CD2 3.43Å; L447-F451 PolarHBondContact O-N 3.47Å; F448-F451 PolarHBondContact O-N 2.92Å; F448-F451 VanDerWaalsContact O-N 3.1Å |
| 452 | A | 95.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | trans | -62.4 | 155.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K26 F448 D456 I457 | K26-A452 PolarHBondContact NZ-O 2.9Å; F448-A452 HydrophobicContact CE1-CB 4.34Å; F448-A452 WeakPolarHBondContact O-CB 3.48Å; F448-A452 PolarHBondContact O-N 3.09Å; A452-D456 HydrophobicContact CB-CB 4.24Å; A452-I457 HydrophobicContact CB-CD1 4.19Å; A452-I457 HydrophobicContact CB-CG1 3.94Å | ||
| 453 | E | 92.1 | Very high | 94.5 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | trans | -100.5 | 164.7 | 155.5 | -56.7 | -59.5 | 165.6 | 0 | 0 | 110.2 | R23 K26 E455 D456 | R23-E453 HydrophobicContact CG-CG 4.25Å; K26-E453 WeakPolarHBondContact CD-OE1 3.46Å; K26-E453 VanDerWaalsContact CE-OE1 3.29Å; K26-E453 WeakPolarHBondContact CE-OE1 3.28Å; K26-E453 IonicContact NZ-OE1 3.49Å; K26-E453 PolarHBondContact NZ-OE1 2.88Å; K26-E453 IonicContact NZ-OE2 2.83Å; K26-E453 PolarHBondContact NZ-OE2 2.83Å; E453-E455 VanDerWaalsContact CB-OE2 3.23Å; E453-E455 WeakPolarHBondContact CB-OE2 3.46Å; E453-E455 PolarHBondContact O-N 2.77Å; E453-E455 VanDerWaalsContact O-N 3.1Å; E453-D456 PolarHBondContact N-OD2 2.88Å; E453-D456 WeakPolarHBondContact O-CB 3.47Å; E453-D456 PolarHBondContact O-N 3.04Å | ||
| 454 | A | 89.2 | Confident | 94.4 | Very high | 89 Ų | 89 | 38 Ų | 38 | 74% | 0.736 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D456 | A454-D456 VanDerWaalsContact C-N 3.35Š|
| 455 | E | 90.1 | Very high | 94.3 | Very high | 136 Ų | 136 | 38.5 Ų | 38.5 | 64% | 0.636 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.1 | 175.3 | -43.4 | 98.7 | 135.8 | 0 | 0 | 114 | R23 E453 | R23-E455 IonicContact CZ-OE1 3.51Å; R23-E455 IonicContact CZ-OE2 2.67Å; R23-E455 IonicContact NH1-OE1 2.78Å; R23-E455 IonicContact NH2-OE1 2.67Å; R23-E455 PolarHBondContact NH2-OE1 2.95Å; R23-E455 IonicContact NH2-OE2 3.56Å; R23-E455 PolarHBondContact NH2-OE2 2.86Å; E453-E455 VanDerWaalsContact CB-OE2 3.23Å; E453-E455 WeakPolarHBondContact CB-OE2 3.46Å; E453-E455 PolarHBondContact O-N 2.77Å; E453-E455 VanDerWaalsContact O-N 3.1Å |
| 456 | D | 90.9 | Very high | 94.3 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.214 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -17.2 | 178 | -60.5 | -45.4 | 0 | 0 | 0 | 113.2 | R30 A452 E453 A454 | R30-D456 WeakPolarHBondContact CD-OD2 3.49Å; R30-D456 IonicContact CZ-OD1 2.78Å; R30-D456 IonicContact CZ-OD2 3.56Å; R30-D456 IonicContact NE-OD2 2.66Å; R30-D456 IonicContact NH1-OD1 2.68Å; R30-D456 PolarHBondContact NH1-OD1 3.37Å; R30-D456 IonicContact NH1-OD2 3.64Å; R30-D456 PolarHBondContact NH1-OD2 3.3Å; A452-D456 HydrophobicContact CB-CB 4.24Å; E453-D456 PolarHBondContact N-OD2 2.88Å; E453-D456 WeakPolarHBondContact O-CB 3.47Å; E453-D456 PolarHBondContact O-N 3.04Å; A454-D456 VanDerWaalsContact C-N 3.35Å |
| 457 | I | 92.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 39 Ų | 39 | 21% | 0.205 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -93.9 | 129 | -173.8 | -50.1 | 178.2 | 0 | 0 | 0 | 108.8 | L93 L449 A452 F459 V461 | L93-I457 HydrophobicContact CD1-CG2 3.83Å; L449-I457 HydrophobicContact CD2-CD1 4.1Å; A452-I457 HydrophobicContact CB-CD1 4.19Å; A452-I457 HydrophobicContact CB-CG1 3.94Å; I457-F459 VanDerWaalsContact C-N 3.3Å; I457-F459 VanDerWaalsContact CG2-O 3.25Å; I457-F459 WeakPolarHBondContact CG2-O 3.35Å; I457-F459 PolarHBondContact O-N 3.35Å; I457-V461 HydrophobicContact CG2-CG2 3.8Å |
| 458 | P | 89.9 | Confident | 94.3 | Very high | 56 Ų | 56 | 40.4 Ų | 40.4 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -76.5 | -8.8 | -171.1 | 24.1 | -28.5 | 0 | 0 | 0 | 115.6 | V92 L93 N95 | V92-P458 VanDerWaalsContact O-CG 3.29Å; V92-P458 WeakPolarHBondContact O-CG 3.39Å; L93-P458 WeakPolarHBondContact O-CD 3.47Å; N95-P458 HydrophobicContact CB-CG 4.45Å |
| 459 | F | 91.9 | Very high | 94.3 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -151.8 | 166.1 | 178.3 | 54 | -90.4 | 0 | 0 | 0 | 109.9 | V92 L93 M138 M141 I457 V461 Y464 L472 | V92-F459 HydrophobicContact CG1-CE1 4.27Å; L93-F459 HydrophobicContact CB-CZ 4.36Å; L93-F459 HydrophobicContact CD1-CE1 4.12Å; L93-F459 HydrophobicContact CD1-CE2 4.34Å; L93-F459 HydrophobicContact CD1-CZ 3.67Å; M138-F459 HydrophobicContact CE-CE1 4.4Å; M138-F459 HydrophobicContact CE-CE2 4.19Å; M138-F459 HydrophobicContact CE-CZ 4.02Å; M138-F459 HydrophobicContact SD-CD1 4.37Å; M138-F459 HydrophobicContact SD-CE1 3.65Å; M138-F459 HydrophobicContact SD-CE2 4.42Å; M138-F459 HydrophobicContact SD-CZ 3.68Å; M141-F459 HydrophobicContact CE-CB 4.39Å; M141-F459 HydrophobicContact CE-CD1 3.65Å; M141-F459 HydrophobicContact CE-CE1 4.26Å; M141-F459 HydrophobicContact CE-CG 4.23Å; M141-F459 HydrophobicContact SD-CB 3.5Å; M141-F459 WeakPolarHBondContact SD-CB 3.3Å; M141-F459 HydrophobicContact SD-CD1 3.61Å; M141-F459 HydrophobicContact SD-CD2 4.3Å; M141-F459 HydrophobicContact SD-CE1 4.42Å; M141-F459 HydrophobicContact SD-CG 3.55Å; M141-F459 VanDerWaalsContact SD-CG 3.55Å; I457-F459 VanDerWaalsContact C-N 3.3Å; I457-F459 VanDerWaalsContact CG2-O 3.25Å; I457-F459 WeakPolarHBondContact CG2-O 3.35Å; I457-F459 PolarHBondContact O-N 3.35Å; F459-V461 HydrophobicContact CD2-CG2 4.26Å; F459-V461 HydrophobicContact CE2-CG2 3.84Å; F459-V461 PolarHBondContact O-N 3.02Å; F459-Y464 HydrophobicContact CD2-CD2 4.05Å; F459-Y464 AromaticContact CD2-CE2 3.62Å; F459-Y464 HydrophobicContact CD2-CE2 3.62Å; F459-Y464 HydrophobicContact CE2-CD2 4.11Å; F459-Y464 AromaticContact CE2-CE2 3.99Å; F459-Y464 HydrophobicContact CE2-CE2 3.99Å; F459-L472 HydrophobicContact CE2-CD1 3.86Å; F459-L472 HydrophobicContact CZ-CD1 3.55Å |
| 460 | D | 92.3 | Very high | 94.3 | Very high | 96 Ų | 96 | 40 Ų | 40 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | trans | -76.8 | 120.7 | 172.2 | -155.7 | -29.4 | 0 | 0 | 0 | 109.9 | E462 D463 Y464 | D460-E462 VanDerWaalsContact C-N 3.27Å; D460-E462 WeakPolarHBondContact OD1-CG 3.2Å; D460-E462 PolarHBondContact OD1-N 2.92Å; D460-D463 PolarHBondContact O-N 3.09Å; D460-Y464 WeakPolarHBondContact O-CD2 3.37Å | ||
| 461 | V | 92.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -75.4 | -21.1 | -179.2 | 169.5 | 0 | 0 | 0 | 0 | 111 | L93 L449 I457 F459 D463 Y464 F466 | L93-V461 HydrophobicContact CD1-CG2 4.03Å; L449-V461 HydrophobicContact CD2-CG2 3.96Å; I457-V461 HydrophobicContact CG2-CG2 3.8Å; F459-V461 HydrophobicContact CD2-CG2 4.26Å; F459-V461 HydrophobicContact CE2-CG2 3.84Å; F459-V461 PolarHBondContact O-N 3.02Å; V461-D463 PolarHBondContact O-N 3.36Å; V461-Y464 PolarHBondContact O-N 3.41Å; V461-F466 HydrophobicContact CG1-CE2 3.65Å; V461-F466 HydrophobicContact CG1-CZ 3.55Å |
| 462 | E | 91.4 | Very high | 94.4 | Very high | 98 Ų | 98 | 40 Ų | 40 | 46% | 0.458 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -72.7 | -12.8 | 177.3 | -46.3 | -62.7 | 100.1 | 0 | 0 | 112.9 | K392 D460 Y464 L475 | K392-E462 VanDerWaalsContact CE-OE1 3.32Å; K392-E462 WeakPolarHBondContact CE-OE1 3.45Å; K392-E462 WeakPolarHBondContact CE-OE2 3.23Å; K392-E462 IonicContact NZ-OE1 2.77Å; K392-E462 PolarHBondContact NZ-OE1 3.19Å; K392-E462 IonicContact NZ-OE2 2.76Å; K392-E462 PolarHBondContact NZ-OE2 3.41Å; K392-E462 VanDerWaalsContact NZ-OE2 3.16Å; D460-E462 VanDerWaalsContact C-N 3.27Å; D460-E462 WeakPolarHBondContact OD1-CG 3.2Å; D460-E462 PolarHBondContact OD1-N 2.92Å; E462-Y464 PolarHBondContact O-N 2.88Å; E462-L475 VanDerWaalsContact O-CD1 3.28Å; E462-L475 WeakPolarHBondContact O-CD1 3.32Å |
| 463 | D | 93.7 | Very high | 94.5 | Very high | 104 Ų | 104 | 39.6 Ų | 39.6 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -76.4 | -0.3 | 171.1 | -77.1 | -29.3 | 0 | 0 | 0 | 112.8 | D460 V461 L475 | D460-D463 PolarHBondContact O-N 3.09Å; V461-D463 PolarHBondContact O-N 3.36Å; D463-L475 WeakPolarHBondContact O-CB 3.24Å; D463-L475 WeakPolarHBondContact O-CG 3.47Å; D463-L475 PolarHBondContact O-N 3Å |
| 464 | Y | 96.3 | Very high | 94.7 | Very high | 31 Ų | 31 | 38.1 Ų | 38.1 | 12% | 0.122 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 155.2 | -175.2 | -62.4 | -97.8 | 0 | 0 | 0 | 112.4 | M138 M141 F459 D460 V461 E462 L472 L473 P474 | M138-Y464 HydrophobicContact CE-CD1 4.05Å; M138-Y464 HydrophobicContact CE-CE1 3.34Å; M138-Y464 HydrophobicContact CE-CE2 4.27Å; M138-Y464 VanDerWaalsContact CE-CZ 3.48Å; M141-Y464 PolarHBondContact SD-OH 2.95Å; M141-Y464 VanDerWaalsContact SD-OH 3.41Å; F459-Y464 HydrophobicContact CD2-CD2 4.05Å; F459-Y464 AromaticContact CD2-CE2 3.62Å; F459-Y464 HydrophobicContact CD2-CE2 3.62Å; F459-Y464 HydrophobicContact CE2-CD2 4.11Å; F459-Y464 AromaticContact CE2-CE2 3.99Å; F459-Y464 HydrophobicContact CE2-CE2 3.99Å; D460-Y464 WeakPolarHBondContact O-CD2 3.37Å; V461-Y464 PolarHBondContact O-N 3.41Å; E462-Y464 PolarHBondContact O-N 2.88Å; Y464-L472 HydrophobicContact CD1-CB 3.92Å; Y464-L472 HydrophobicContact CG-CB 4.32Å; Y464-L472 HydrophobicContact CG-CD2 4.44Å; Y464-L473 CarbonylContact C-O 3.59Å; Y464-L473 WeakPolarHBondContact CA-O 3.27Å; Y464-P474 HydrophobicContact CD1-CB 3.89Å; Y464-P474 HydrophobicContact CE1-CB 3.71Å; Y464-P474 HydrophobicContact CE1-CG 4.34Å |
| 465 | V | 96.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.2 | 162.1 | 70.8 | 0 | 0 | 0 | 0 | 109.4 | K278 I281 L282 L473 L475 | K278-V465 HydrophobicContact CB-CG2 4.12Å; K278-V465 HydrophobicContact CD-CG2 4.32Å; K278-V465 HydrophobicContact CG-CG2 4.02Å; I281-V465 HydrophobicContact CG2-CB 4.5Å; I281-V465 HydrophobicContact CG2-CG2 4.32Å; L282-V465 HydrophobicContact CB-CG1 4.19Å; L282-V465 HydrophobicContact CD1-CG1 3.95Å; L282-V465 HydrophobicContact CD2-CG1 4.34Å; L282-V465 HydrophobicContact CG-CG1 4.38Å; V465-L473 HydrophobicContact CG1-CB 4.04Å; V465-L473 PolarHBondContact N-O 3.35Å; V465-L473 PolarHBondContact O-N 3.27Å; V465-L475 HydrophobicContact CB-CD2 4Å; V465-L475 HydrophobicContact CG1-CD2 4.42Å |
| 466 | F | 97.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 6% | 0.057 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134.2 | 171.1 | -65.8 | -98.2 | 0 | 0 | 0 | 109.5 | K278 F389 K445 Y446 L449 V461 A470 H471 L472 | K278-F466 WeakPolarHBondContact CD-O 3.37Å; K278-F466 WeakPolarHBondContact CE-O 3.44Å; K278-F466 PolarHBondContact NZ-O 3.34Å; F389-F466 HydrophobicContact CZ-CD2 4.37Å; K445-F466 HydrophobicContact CD-CD1 4.35Å; K445-F466 HydrophobicContact CD-CE1 4.05Å; K445-F466 HydrophobicContact CG-CE1 4.39Å; Y446-F466 HydrophobicContact CE1-CD1 4.14Å; Y446-F466 HydrophobicContact CE1-CE1 4.3Å; L449-F466 HydrophobicContact CD1-CE1 3.91Å; L449-F466 HydrophobicContact CD1-CZ 3.63Å; V461-F466 HydrophobicContact CG1-CE2 3.65Å; V461-F466 HydrophobicContact CG1-CZ 3.55Å; F466-A470 HydrophobicContact CD1-CB 4.15Å; F466-A470 WeakPolarHBondContact CD1-O 3.48Å; F466-H471 CarbonylContact C-O 3.52Å; F466-H471 VanDerWaalsContact CA-O 3.3Å; F466-H471 WeakPolarHBondContact CA-O 3.4Å; F466-L472 HydrophobicContact CD1-CD2 3.96Å; F466-L472 HydrophobicContact CD2-CD2 4.5Å; F466-L472 HydrophobicContact CE1-CD2 3.68Å; F466-L472 HydrophobicContact CE2-CD2 4.24Å; F466-L472 HydrophobicContact CG-CD2 4.36Å; F466-L472 HydrophobicContact CZ-CD2 3.83Å |
| 467 | T | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -66.9 | -172 | 164.4 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | L211 E212 Y275 K278 A470 H471 L473 | L211-T467 HydrophobicContact CB-CG2 4.49Å; L211-T467 HydrophobicContact CD1-CG2 4.39Å; E212-T467 WeakPolarHBondContact OE1-CG2 3.45Å; Y275-T467 WeakPolarHBondContact OH-CB 3.44Å; K278-T467 PolarHBondContact NZ-O 3.1Å; T467-A470 PolarHBondContact O-N 3.25Å; T467-H471 HydrophobicContact CG2-CB 4.07Å; T467-H471 PolarHBondContact N-O 3.5Å; T467-H471 WeakPolarHBondContact OG1-CB 3.23Å; T467-H471 PolarHBondContact OG1-N 3.05Å; T467-L473 HydrophobicContact CG2-CD1 3.61Å; T467-L473 HydrophobicContact CG2-CG 3.98Å | ||
| 468 | T | 98.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 17% | 0.172 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -46.4 | 171.8 | -157.1 | 0 | 0 | 0 | 0 | 109.9 | I126 T208 E274 Y275 A470 | I126-T468 HydrophobicContact CB-CG2 3.99Å; I126-T468 HydrophobicContact CD1-CG2 4.09Å; I126-T468 HydrophobicContact CG2-CG2 3.8Å; T208-T468 HydrophobicContact CG2-CG2 3.92Å; E274-T468 VanDerWaalsContact OE1-CA 3.28Å; E274-T468 WeakPolarHBondContact OE1-CA 3.26Å; E274-T468 PolarHBondContact OE1-N 3.17Å; E274-T468 VanDerWaalsContact OE2-CB 3.27Å; E274-T468 WeakPolarHBondContact OE2-CB 3.17Å; E274-T468 PolarHBondContact OE2-OG1 3.04Å; Y275-T468 HydrophobicContact CE1-CG2 4.31Å; Y275-T468 PolarHBondContact OH-N 3.49Å; T468-A470 PolarHBondContact O-N 3.13Å |
| 469 | E | 98.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 25.1 | 171.3 | -141.1 | 84.9 | 178.8 | 0 | 0 | 113.8 | I126 R127 F438 H471 | I126-E469 HydrophobicContact CB-CB 4.45Å; I126-E469 VanDerWaalsContact CD1-OE2 3.23Å; I126-E469 WeakPolarHBondContact CD1-OE2 3.37Å; I126-E469 WeakPolarHBondContact CG1-OE2 3.38Å; R127-E469 HydrophobicContact CB-CG 4.45Å; R127-E469 WeakPolarHBondContact CD-OE1 3.46Å; R127-E469 VanDerWaalsContact CG-CD 3.5Å; R127-E469 HydrophobicContact CG-CG 3.93Å; R127-E469 VanDerWaalsContact CG-OE1 3.29Å; R127-E469 WeakPolarHBondContact CG-OE1 3.15Å; R127-E469 IonicContact CZ-OE1 2.68Å; R127-E469 IonicContact NE-OE1 2.66Å; R127-E469 PolarHBondContact NE-OE1 3.48Å; F438-E469 WeakPolarHBondContact CB-OE1 3.36Å; E469-H471 PolarHBondContact O-N 3.3Å |
| 470 | A | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | 55 | 19.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117 | E442 K445 Y446 F466 T467 T468 | E442-A470 HydrophobicContact CB-CB 4.23Å; E442-A470 HydrophobicContact CG-CB 3.74Å; K445-A470 HydrophobicContact CD-CB 3.77Å; K445-A470 WeakPolarHBondContact CD-O 3.37Å; K445-A470 WeakPolarHBondContact CE-O 3.46Å; K445-A470 PolarHBondContact NZ-O 3.08Å; Y446-A470 HydrophobicContact CE1-CB 4.27Å; Y446-A470 HydrophobicContact CE2-CB 3.77Å; Y446-A470 VanDerWaalsContact CZ-CB 3.48Å; Y446-A470 WeakPolarHBondContact OH-CB 3.4Å; F466-A470 HydrophobicContact CD1-CB 4.15Å; F466-A470 WeakPolarHBondContact CD1-O 3.48Å; T467-A470 PolarHBondContact O-N 3.25Å; T468-A470 PolarHBondContact O-N 3.13Å | ||
| 471 | H | 98.5 | Very high | 91 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -75.1 | 141.2 | 179.7 | -61.6 | -56 | 0 | 0 | 0 | 112.9 | D86 D89 I126 R127 G131 F466 T467 E469 L473 | D86-H471 PolarHBondContact O-CE1 2.83Å; D86-H471 IonicContact OD1-CE1 3.73Å; D86-H471 PolarHBondContact OD1-CE1 3.36Å; D86-H471 IonicContact OD1-NE2 2.69Å; D86-H471 PolarHBondContact OD1-NE2 3.24Å; D89-H471 IonicContact OD1-ND1 3.18Å; D89-H471 VanDerWaalsContact OD2-CA 3.28Å; D89-H471 WeakPolarHBondContact OD2-CA 3.3Å; D89-H471 IonicContact OD2-ND1 3.81Å; I126-H471 PolarHBondContact O-CD2 3.03Å; I126-H471 PolarHBondContact O-NE2 3.14Å; R127-H471 PolarHBondContact O-NE2 3.33Å; G131-H471 VanDerWaalsContact CA-CE1 3.48Å; G131-H471 WeakPolarHBondContact CA-CE1 3.29Å; G131-H471 PolarHBondContact N-CD2 3.26Å; G131-H471 VanDerWaalsContact N-CD2 3.3Å; G131-H471 PolarHBondContact N-NE2 2.94Å; G131-H471 VanDerWaalsContact N-NE2 3.17Å; F466-H471 CarbonylContact C-O 3.52Å; F466-H471 VanDerWaalsContact CA-O 3.3Å; F466-H471 WeakPolarHBondContact CA-O 3.4Å; T467-H471 HydrophobicContact CG2-CB 4.07Å; T467-H471 PolarHBondContact N-O 3.5Å; T467-H471 WeakPolarHBondContact OG1-CB 3.23Å; T467-H471 PolarHBondContact OG1-N 3.05Å; E469-H471 PolarHBondContact O-N 3.3Å; H471-L473 PolarHBondContact O-N 3.06Å | ||
| 472 | L | 97.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 106.4 | -174.7 | -65.4 | 170.1 | 0 | 0 | 0 | 112.9 | D89 M138 F459 Y464 F466 | D89-L472 PolarHBondContact OD2-N 3.13Å; M138-L472 HydrophobicContact CE-CB 4.08Å; M138-L472 HydrophobicContact CE-CD1 4.01Å; M138-L472 HydrophobicContact SD-CD1 4.22Å; F459-L472 HydrophobicContact CE2-CD1 3.86Å; F459-L472 HydrophobicContact CZ-CD1 3.55Å; Y464-L472 HydrophobicContact CD1-CB 3.92Å; Y464-L472 HydrophobicContact CG-CB 4.32Å; Y464-L472 HydrophobicContact CG-CD2 4.44Å; F466-L472 HydrophobicContact CD1-CD2 3.96Å; F466-L472 HydrophobicContact CD2-CD2 4.5Å; F466-L472 HydrophobicContact CE1-CD2 3.68Å; F466-L472 HydrophobicContact CE2-CD2 4.24Å; F466-L472 HydrophobicContact CG-CD2 4.36Å; F466-L472 HydrophobicContact CZ-CD2 3.83Å |
| 473 | L | 97.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.4 | 172.5 | -61.5 | 177.8 | 0 | 0 | 0 | 110.5 | L133 L211 A215 L282 Y464 V465 T467 H471 | L133-L473 HydrophobicContact CB-CD2 3.94Å; L211-L473 HydrophobicContact CB-CD1 3.92Å; A215-L473 HydrophobicContact CB-CD1 4.1Å; A215-L473 HydrophobicContact CB-CD2 3.97Å; L282-L473 HydrophobicContact CD1-CB 4.49Å; L282-L473 HydrophobicContact CD2-CD1 4.09Å; Y464-L473 CarbonylContact C-O 3.59Å; Y464-L473 WeakPolarHBondContact CA-O 3.27Å; V465-L473 HydrophobicContact CG1-CB 4.04Å; V465-L473 PolarHBondContact N-O 3.35Å; V465-L473 PolarHBondContact O-N 3.27Å; T467-L473 HydrophobicContact CG2-CD1 3.61Å; T467-L473 HydrophobicContact CG2-CG 3.98Å; H471-L473 PolarHBondContact O-N 3.06Å |
| 474 | P | 96 | Very high | 84.4 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 137 | -173 | 25.5 | -31.6 | 0 | 0 | 0 | 112.8 | S137 F219 Y464 S476 L477 | S137-P474 WeakPolarHBondContact OG-CD 3.24Å; F219-P474 HydrophobicContact CZ-CG 4.04Å; Y464-P474 HydrophobicContact CD1-CB 3.89Å; Y464-P474 HydrophobicContact CE1-CB 3.71Å; Y464-P474 HydrophobicContact CE1-CG 4.34Å; P474-S476 PolarHBondContact O-N 2.77Å; P474-S476 VanDerWaalsContact O-N 3.14Å; P474-L477 HydrophobicContact CG-CD1 4.16Å; P474-L477 HydrophobicContact CG-CG 4.13Å; P474-L477 WeakPolarHBondContact O-CB 3.32Å; P474-L477 VanDerWaalsContact O-CG 3.22Å; P474-L477 WeakPolarHBondContact O-CG 3.47Å; P474-L477 PolarHBondContact O-N 3.43Å |
| 475 | L | 94.3 | Very high | 81.5 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -66 | -15.8 | -180 | -63.5 | -179.7 | 0 | 0 | 0 | 113.3 | I281 E462 D463 V465 L477 S478 | I281-L475 HydrophobicContact CG2-CD2 3.78Å; E462-L475 VanDerWaalsContact O-CD1 3.28Å; E462-L475 WeakPolarHBondContact O-CD1 3.32Å; D463-L475 WeakPolarHBondContact O-CB 3.24Å; D463-L475 WeakPolarHBondContact O-CG 3.47Å; D463-L475 PolarHBondContact O-N 3Å; V465-L475 HydrophobicContact CB-CD2 4Å; V465-L475 HydrophobicContact CG1-CD2 4.42Å; L475-L477 PolarHBondContact O-N 3.18Å; L475-L477 VanDerWaalsContact O-N 3.15Å; L475-S478 WeakPolarHBondContact O-CB 3.21Å; L475-S478 PolarHBondContact O-N 3.1Å; L475-S478 VanDerWaalsContact O-N 3.13Å; L475-S478 PolarHBondContact O-OG 3.35Å |
| 476 | S | 90.2 | Very high | 78.7 | Confident | 74 Ų | 74 | 46.8 Ų | 46.8 | 52% | 0.517 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -58.7 | -22.2 | 173 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | P474 S478 T479 | P474-S476 PolarHBondContact O-N 2.77Å; P474-S476 VanDerWaalsContact O-N 3.14Å; S476-S478 PolarHBondContact O-N 2.75Å; S476-T479 PolarHBondContact O-N 2.92Å; S476-T479 PolarHBondContact O-OG1 3.16Å |
| 477 | L | 89.4 | Confident | 75.7 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -60.5 | -25.7 | 175.3 | -62.2 | 174.3 | 0 | 0 | 0 | 113.2 | A215 R218 F219 L282 P474 L475 T479 A480 | A215-L477 HydrophobicContact CB-CD1 3.85Å; R218-L477 HydrophobicContact CB-CB 4.43Å; R218-L477 HydrophobicContact CB-CD2 3.79Å; R218-L477 HydrophobicContact CG-CB 4.28Å; F219-L477 HydrophobicContact CD1-CD2 4.1Å; F219-L477 HydrophobicContact CD2-CD2 4.4Å; F219-L477 HydrophobicContact CE1-CD2 3.8Å; F219-L477 HydrophobicContact CE2-CD1 3.87Å; F219-L477 HydrophobicContact CE2-CD2 4.13Å; F219-L477 HydrophobicContact CG-CD2 4.38Å; F219-L477 HydrophobicContact CZ-CD1 3.96Å; F219-L477 HydrophobicContact CZ-CD2 3.81Å; F219-L477 HydrophobicContact CZ-CG 4.36Å; L282-L477 HydrophobicContact CD1-CB 4.11Å; L282-L477 HydrophobicContact CD1-CD1 4.22Å; P474-L477 HydrophobicContact CG-CD1 4.16Å; P474-L477 HydrophobicContact CG-CG 4.13Å; P474-L477 WeakPolarHBondContact O-CB 3.32Å; P474-L477 VanDerWaalsContact O-CG 3.22Å; P474-L477 WeakPolarHBondContact O-CG 3.47Å; P474-L477 PolarHBondContact O-N 3.43Å; L475-L477 PolarHBondContact O-N 3.18Å; L475-L477 VanDerWaalsContact O-N 3.15Å; L477-T479 PolarHBondContact O-N 3.43Å; L477-A480 WeakPolarHBondContact O-CB 3.02Å; L477-A480 PolarHBondContact O-N 2.86Å; L477-A480 VanDerWaalsContact O-N 3.16Å |
| 478 | S | 83.2 | Confident | 72.7 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -58 | -28.8 | 170.2 | 63.2 | 0 | 0 | 0 | 0 | 113.3 | L282 L475 S476 | L282-S478 WeakPolarHBondContact O-CA 3.31Å; L282-S478 VanDerWaalsContact O-CB 3.31Å; L282-S478 WeakPolarHBondContact O-CB 3.37Å; L282-S478 PolarHBondContact O-N 3.04Å; L475-S478 WeakPolarHBondContact O-CB 3.21Å; L475-S478 PolarHBondContact O-N 3.1Å; L475-S478 VanDerWaalsContact O-N 3.13Å; L475-S478 PolarHBondContact O-OG 3.35Å; S476-S478 PolarHBondContact O-N 2.75Å |
| 479 | T | 76 | Confident | 69.7 | Low | 117 Ų | 117 | 62.7 Ų | 62.7 | 72% | 0.718 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -92.3 | -8.9 | -179 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | S476 L477 | S476-T479 PolarHBondContact O-N 2.92Å; S476-T479 PolarHBondContact O-OG1 3.16Å; L477-T479 PolarHBondContact O-N 3.43Å |
| 480 | A | 69.5 | Low | 66.8 | Low | 24 Ų | 24 | 70.1 Ų | 70.1 | 20% | 0.198 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -70.2 | 125.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R218 L477 N482 | R218-A480 HydrophobicContact CB-CB 4.09Å; R218-A480 HydrophobicContact CG-CB 4.3Å; R218-A480 PolarHBondContact NH1-O 2.85Å; L477-A480 WeakPolarHBondContact O-CB 3.02Å; L477-A480 PolarHBondContact O-N 2.86Å; L477-A480 VanDerWaalsContact O-N 3.16Å; A480-N482 PolarHBondContact O-N 2.94Å |
| 481 | P | 56.1 | Low | 63.9 | Low | 123 Ų | 123 | 75.8 Ų | 75.8 | 80% | 0.799 | 46% | 0.461 | S | S | * | . | trans | -63 | 126.7 | -165.2 | 23.4 | -34.1 | 0 | 0 | 0 | 112.9 | A483 | P481-A483 PolarHBondContact O-N 3.23Å; P481-A483 VanDerWaalsContact O-N 3.13Å | ||
| 482 | N | 50.4 | Low | 60.8 | Low | 96 Ų | 96 | 80.6 Ų | 80.6 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | trans | -57.4 | 113.8 | 170.9 | -83.4 | -34.8 | 0 | 0 | 0 | 110.6 | R218 A480 S484 | R218-N482 PolarHBondContact NH1-OD1 3.34Å; R218-N482 PolarHBondContact NH2-OD1 3.07Å; A480-N482 PolarHBondContact O-N 2.94Å; N482-S484 PolarHBondContact O-N 3.45Å | ||
| 483 | A | 46.3 | Very low | 58 | Low | 71 Ų | 71 | 86.7 Ų | 86.7 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -65.8 | -28.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P223 P481 S485 | P223-A483 HydrophobicContact CG-CB 4.31Å; P481-A483 PolarHBondContact O-N 3.23Å; P481-A483 VanDerWaalsContact O-N 3.13Å; A483-S485 VanDerWaalsContact C-N 3.29Å; A483-S485 PolarHBondContact O-N 3.44Å; A483-S485 VanDerWaalsContact O-N 3.09Å |
| 484 | S | 43.6 | Very low | 55.1 | Low | 45 Ų | 45 | 94.8 Ų | 94.8 | 32% | 0.315 | 57% | 0.565 | S | S | . | * | trans | -82.9 | 58.2 | 178.6 | 42 | 0 | 0 | 0 | 0 | 112.7 | N482 I486 | N482-S484 PolarHBondContact O-N 3.45Å; S484-I486 VanDerWaalsContact C-N 3.29Å; S484-I486 PolarHBondContact O-N 3.27Å | ||
| 485 | S | 35.8 | Very low | 52.2 | Low | 102 Ų | 102 | 103.3 Ų | 103.3 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | trans | -73.1 | 78.5 | 173 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | A483 P487 | A483-S485 VanDerWaalsContact C-N 3.29Å; A483-S485 PolarHBondContact O-N 3.44Å; A483-S485 VanDerWaalsContact O-N 3.09Å; S485-P487 WeakPolarHBondContact O-CD 3.41Å | ||
| 486 | I | 38 | Very low | 49.5 | Very low | 149 Ų | 149 | 108.4 Ų | 108.4 | 76% | 0.764 | 63% | 0.631 | S | S | * | * | trans | -67.4 | 120 | 168.6 | -59.4 | 178.1 | 0 | 0 | 0 | 108 | S484 S488 | S484-I486 VanDerWaalsContact C-N 3.29Å; S484-I486 PolarHBondContact O-N 3.27Å; I486-S488 PolarHBondContact O-N 2.94Å | ||
| 487 | P | 35.2 | Very low | 47 | Very low | 118 Ų | 118 | 110.6 Ų | 110.6 | 77% | 0.766 | 64% | 0.637 | S | S | * | * | trans | -75.6 | 94.1 | 179.4 | 30.5 | -33.5 | 0 | 0 | 0 | 109.9 | S485 N489 | S485-P487 WeakPolarHBondContact O-CD 3.41Å; P487-N489 PolarHBondContact O-N 3.45Å | ||
| 488 | S | 34.4 | Very low | 44.7 | Very low | 102 Ų | 102 | 117.9 Ų | 117.9 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -65.7 | 121.4 | 168.2 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | I486 K490 | I486-S488 PolarHBondContact O-N 2.94Å; S488-K490 PolarHBondContact O-N 2.78Å | ||
| 489 | N | 34.5 | Very low | 42.6 | Very low | 155 Ų | 155 | 119.2 Ų | 119.2 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | trans | -67.4 | 100.9 | 173 | -86.4 | -34.4 | 0 | 0 | 0 | 108.8 | P487 T491 | P487-N489 PolarHBondContact O-N 3.45Å; N489-T491 PolarHBondContact O-N 2.9Å; N489-T491 VanDerWaalsContact O-N 3.07Å | ||
| 490 | K | 38.5 | Very low | 40.9 | Very low | 166 Ų | 166 | 117.4 Ų | 117.4 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -55.4 | 113 | 171.1 | -88.2 | -159.8 | 166.1 | -150.1 | 0 | 110.5 | S488 D493 | S488-K490 PolarHBondContact O-N 2.78Å; K490-D493 IonicContact NZ-OD1 3.16Å; K490-D493 PolarHBondContact NZ-OD1 3.25Å | ||
| 491 | T | 35.8 | Very low | 39.5 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 73% | 0.73 | 70% | 0.697 | S | S | * | * | trans | -118.6 | 118.5 | 161.9 | 50.2 | 0 | 0 | 0 | 0 | 108.5 | N489 | N489-T491 PolarHBondContact O-N 2.9Å; N489-T491 VanDerWaalsContact O-N 3.07Å | ||
| 492 | S | 34.6 | Very low | 39 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | trans | 52.4 | 109.1 | -179.4 | 43.8 | 0 | 0 | 0 | 0 | 115.8 | E494 | S492-E494 PolarHBondContact O-N 3.41Å; S492-E494 VanDerWaalsContact O-N 3.11Å | ||
| 493 | D | 37.8 | Very low | 38.8 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | trans | -65.3 | 102.7 | 154.6 | -54.6 | -72.7 | 0 | 0 | 0 | 107.9 | K490 | K490-D493 IonicContact NZ-OD1 3.16Å; K490-D493 PolarHBondContact NZ-OD1 3.25Å | ||
| 494 | E | 37.1 | Very low | 38.6 | Very low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | trans | -78.2 | 126.8 | 159.3 | -68.3 | -167.9 | 148.3 | 0 | 0 | 107.4 | S492 L496 | S492-E494 PolarHBondContact O-N 3.41Å; S492-E494 VanDerWaalsContact O-N 3.11Å; E494-L496 PolarHBondContact O-N 2.73Å; E494-L496 VanDerWaalsContact O-N 3.14Å | ||
| 495 | E | 34.4 | Very low | 38.7 | Very low | 194 Ų | 194 | 132.8 Ų | 132.8 | 91% | 0.907 | 72% | 0.721 | S | S | * | * | trans | -64.6 | 114.3 | 176.9 | -67 | -179.8 | 133.1 | 0 | 0 | 108.7 | D497 | E495-D497 PolarHBondContact O-N 3.25Š| ||
| 496 | L | 39.5 | Very low | 39.3 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | trans | -62.1 | 131.5 | 179.4 | -69.7 | 171.4 | 0 | 0 | 0 | 110.1 | E494 D498 | E494-L496 PolarHBondContact O-N 2.73Å; E494-L496 VanDerWaalsContact O-N 3.14Å; L496-D498 PolarHBondContact O-N 2.73Å | ||
| 497 | D | 37.2 | Very low | 39.6 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 64% | 0.642 | 69% | 0.691 | S | S | * | * | trans | -77 | 86 | 179.6 | -170 | -9.8 | 0 | 0 | 0 | 110.5 | E495 S499 N500 | E495-D497 PolarHBondContact O-N 3.25Å; D497-S499 VanDerWaalsContact CG-OG 3.27Å; D497-S499 PolarHBondContact O-N 3.27Å; D497-S499 WeakPolarHBondContact OD1-CB 3.41Å; D497-S499 PolarHBondContact OD1-N 3.06Å; D497-S499 VanDerWaalsContact OD1-N 3.14Å; D497-S499 PolarHBondContact OD1-OG 3.17Å; D497-S499 PolarHBondContact OD2-OG 2.91Å; D497-N500 PolarHBondContact O-N 3.09Å | ||
| 498 | D | 40.6 | Very low | 40.3 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 87% | 0.866 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -0.3 | 175.2 | -84.6 | -15.8 | 0 | 0 | 0 | 114.3 | L496 N500 | L496-D498 PolarHBondContact O-N 2.73Å; D498-N500 VanDerWaalsContact C-N 3.27Å; D498-N500 PolarHBondContact O-N 2.89Å |
| 499 | S | 38.8 | Very low | 40.9 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 58% | 0.58 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -10.2 | 174.2 | 74 | 0 | 0 | 0 | 0 | 114.2 | D497 F501 | D497-S499 VanDerWaalsContact CG-OG 3.27Å; D497-S499 PolarHBondContact O-N 3.27Å; D497-S499 WeakPolarHBondContact OD1-CB 3.41Å; D497-S499 PolarHBondContact OD1-N 3.06Å; D497-S499 VanDerWaalsContact OD1-N 3.14Å; D497-S499 PolarHBondContact OD1-OG 3.17Å; D497-S499 PolarHBondContact OD2-OG 2.91Å; S499-F501 PolarHBondContact O-N 3.06Å |
| 500 | N | 41.4 | Very low | 41.7 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 43% | 0.428 | 67% | 0.671 | S | S | . | * | trans | -87.1 | 113.3 | -172.1 | -156.8 | 24.1 | 0 | 0 | 0 | 113.5 | D497 D498 D502 | D497-N500 PolarHBondContact O-N 3.09Å; D498-N500 VanDerWaalsContact C-N 3.27Å; D498-N500 PolarHBondContact O-N 2.89Å; N500-D502 PolarHBondContact ND2-OD2 2.86Å; N500-D502 PolarHBondContact O-N 3.34Å; N500-D502 VanDerWaalsContact O-N 3.1Å; N500-D502 PolarHBondContact OD1-OD2 2.97Å | ||
| 501 | F | 39.8 | Very low | 42.2 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 75% | 0.746 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -63.8 | -12.8 | 180 | -88.9 | -99.8 | 0 | 0 | 0 | 114.5 | S499 W503 T504 | S499-F501 PolarHBondContact O-N 3.06Å; F501-W503 PolarHBondContact O-N 2.87Å; F501-T504 PolarHBondContact O-N 2.81Å; F501-T504 PolarHBondContact O-OG1 3.04Å |
| 502 | D | 46.2 | Very low | 43.2 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -57.2 | -19.4 | -178 | -68 | -16.7 | 0 | 0 | 0 | 114.3 | N500 | N500-D502 PolarHBondContact ND2-OD2 2.86Å; N500-D502 PolarHBondContact O-N 3.34Å; N500-D502 VanDerWaalsContact O-N 3.1Å; N500-D502 PolarHBondContact OD1-OD2 2.97Å |
| 503 | W | 44.7 | Very low | 44.1 | Very low | 169 Ų | 169 | 122.2 Ų | 122.2 | 64% | 0.64 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -92.8 | -2.2 | 177.8 | -59.6 | 109.9 | 0 | 0 | 0 | 114.6 | L289 F501 | L289-W503 HydrophobicContact CD2-CZ3 3.9Å; F501-W503 PolarHBondContact O-N 2.87Å |
| 504 | T | 43.1 | Very low | 45.1 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 54% | 0.54 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -96.9 | 127 | 173.2 | 40.3 | 0 | 0 | 0 | 0 | 111.8 | F501 | F501-T504 PolarHBondContact O-N 2.81Å; F501-T504 PolarHBondContact O-OG1 3.04Å |
| 505 | C | 45 | Very low | 46.4 | Very low | 124 Ų | 124 | 118 Ų | 118 | 84% | 0.838 | 62% | 0.62 | S | S | * | * | trans | -51.6 | 124.1 | 167.4 | -73.4 | 0 | 0 | 0 | 0 | 109.5 | N507 | C505-N507 PolarHBondContact O-N 3.05Š| ||
| 506 | P | 48.5 | Very low | 48 | Very low | 57 Ų | 57 | 110.9 Ų | 110.9 | 37% | 0.37 | 60% | 0.595 | S | S | . | * | trans | -67.9 | 110.1 | -168.9 | 24.4 | -33 | 0 | 0 | 0 | 110.8 | T508 L511 | P506-T508 PolarHBondContact O-N 3.05Å; P506-T508 VanDerWaalsContact O-N 3.08Å; P506-L511 HydrophobicContact CB-CD1 3.94Å; P506-L511 HydrophobicContact CB-CG 4.45Å; P506-L511 HydrophobicContact CG-CD1 4.46Å | ||
| 507 | N | 45.2 | Very low | 49.6 | Very low | 88 Ų | 88 | 107.1 Ų | 107.1 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | trans | -58.7 | 115.6 | -176.9 | -178.3 | -24.3 | 0 | 0 | 0 | 110.5 | C505 R509 L510 L511 | C505-N507 PolarHBondContact O-N 3.05Å; N507-R509 PolarHBondContact O-N 2.95Å; N507-R509 VanDerWaalsContact O-N 3.16Å; N507-R509 WeakPolarHBondContact OD1-CB 3.3Å; N507-R509 PolarHBondContact OD1-N 3Å; N507-L510 HydrophobicContact CB-CB 4.41Å; N507-L510 HydrophobicContact CB-CD1 4.15Å; N507-L510 WeakPolarHBondContact O-CA 3.36Å; N507-L510 WeakPolarHBondContact O-CB 3.12Å; N507-L510 PolarHBondContact O-N 2.96Å; N507-L511 PolarHBondContact O-N 2.96Å | ||
| 508 | T | 48.3 | Very low | 51.5 | Low | 53 Ų | 53 | 101.8 Ų | 101.8 | 33% | 0.325 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -23.5 | -172.2 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | A393 P506 L510 L511 F512 | A393-T508 WeakPolarHBondContact O-CB 3.41Å; A393-T508 VanDerWaalsContact O-CG2 3.31Å; A393-T508 WeakPolarHBondContact O-CG2 3.49Å; A393-T508 PolarHBondContact O-OG1 2.92Å; P506-T508 PolarHBondContact O-N 3.05Å; P506-T508 VanDerWaalsContact O-N 3.08Å; T508-L510 VanDerWaalsContact C-N 3.29Å; T508-L510 PolarHBondContact O-N 2.69Å; T508-L511 PolarHBondContact O-N 2.77Å; T508-F512 WeakPolarHBondContact O-CB 3.23Å; T508-F512 VanDerWaalsContact O-CD2 3.31Å; T508-F512 WeakPolarHBondContact O-CD2 3.35Å; T508-F512 PolarHBondContact O-N 3.13Å |
| 509 | R | 48.5 | Very low | 53.2 | Low | 219 Ų | 219 | 99.9 Ų | 99.9 | 83% | 0.826 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.5 | -17.6 | 171.1 | -62.1 | -178 | 175.5 | 171.1 | 0.6 | 114.1 | N507 | N507-R509 PolarHBondContact O-N 2.95Å; N507-R509 VanDerWaalsContact O-N 3.16Å; N507-R509 WeakPolarHBondContact OD1-CB 3.3Å; N507-R509 PolarHBondContact OD1-N 3Å |
| 510 | L | 50.8 | Low | 55.2 | Low | 143 Ų | 143 | 99.1 Ų | 99.1 | 75% | 0.749 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -91.6 | -30.9 | 172.5 | -82.2 | 163.1 | 0 | 0 | 0 | 112.1 | N507 T508 | N507-L510 HydrophobicContact CB-CB 4.41Å; N507-L510 HydrophobicContact CB-CD1 4.15Å; N507-L510 WeakPolarHBondContact O-CA 3.36Å; N507-L510 WeakPolarHBondContact O-CB 3.12Å; N507-L510 PolarHBondContact O-N 2.96Å; T508-L510 VanDerWaalsContact C-N 3.29Å; T508-L510 PolarHBondContact O-N 2.69Å |
| 511 | L | 49.6 | Very low | 56.9 | Low | 80 Ų | 80 | 96.3 Ų | 96.3 | 42% | 0.419 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -76.2 | -32.6 | 172.8 | -68.4 | -174.6 | 0 | 0 | 0 | 113.6 | I342 P506 N507 T508 P513 | I342-L511 HydrophobicContact CG1-CD1 4.33Å; P506-L511 HydrophobicContact CB-CD1 3.94Å; P506-L511 HydrophobicContact CB-CG 4.45Å; P506-L511 HydrophobicContact CG-CD1 4.46Å; N507-L511 PolarHBondContact O-N 2.96Å; T508-L511 PolarHBondContact O-N 2.77Å; L511-P513 WeakPolarHBondContact O-CD 3.41Å |
| 512 | F | 55.9 | Low | 59 | Low | 37 Ų | 37 | 88.8 Ų | 88.8 | 16% | 0.162 | 47% | 0.47 | C | S | . | . | trans | -118.7 | 70.9 | -175.2 | -57.5 | -69.2 | 0 | 0 | 0 | 113 | I342 I346 T394 T508 D514 F517 P518 | I342-F512 HydrophobicContact CB-CE2 4.3Å; I342-F512 HydrophobicContact CB-CZ 3.84Å; I342-F512 HydrophobicContact CG1-CE2 4.25Å; I342-F512 HydrophobicContact CG1-CZ 4.28Å; I342-F512 HydrophobicContact CG2-CE2 4.11Å; I342-F512 HydrophobicContact CG2-CZ 3.66Å; I346-F512 HydrophobicContact CD1-CE1 4.21Å; I346-F512 HydrophobicContact CD1-CZ 4.27Å; T394-F512 HydrophobicContact CG2-CE2 4.14Å; T394-F512 HydrophobicContact CG2-CZ 4.29Å; T508-F512 WeakPolarHBondContact O-CB 3.23Å; T508-F512 VanDerWaalsContact O-CD2 3.31Å; T508-F512 WeakPolarHBondContact O-CD2 3.35Å; T508-F512 PolarHBondContact O-N 3.13Å; F512-D514 PolarHBondContact O-N 2.96Å; F512-F517 AromaticContact CD1-CD1 3.67Å; F512-F517 HydrophobicContact CD1-CD1 3.67Å; F512-F517 HydrophobicContact CD1-CE1 4.24Å; F512-F517 HydrophobicContact CD1-CG 4.48Å; F512-F517 AromaticContact CE1-CD1 3.59Å; F512-F517 HydrophobicContact CE1-CD1 3.59Å; F512-F517 AromaticContact CE1-CE1 3.79Å; F512-F517 HydrophobicContact CE1-CE1 3.79Å; F512-P518 HydrophobicContact CD1-CG 4.16Å; F512-P518 HydrophobicContact CE1-CG 4.23Å | ||
| 513 | P | 52.5 | Low | 60.6 | Low | 114 Ų | 114 | 88 Ų | 88 | 74% | 0.74 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -72.6 | -12.3 | 175.5 | 31.3 | -36.5 | 0 | 0 | 0 | 113.8 | L511 | L511-P513 WeakPolarHBondContact O-CD 3.41Š|
| 514 | D | 60.8 | Low | 62.2 | Low | 91 Ų | 91 | 83.9 Ų | 83.9 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -134.4 | 119.3 | 178.3 | -175.8 | -5.9 | 0 | 0 | 0 | 110.6 | F512 A516 F517 | F512-D514 PolarHBondContact O-N 2.96Å; D514-A516 PolarHBondContact O-N 3.16Å; D514-A516 VanDerWaalsContact O-N 3.07Å; D514-A516 VanDerWaalsContact OD1-CB 3.31Å; D514-A516 WeakPolarHBondContact OD1-CB 3.45Å; D514-A516 PolarHBondContact OD1-N 3.33Å; D514-F517 WeakPolarHBondContact O-CB 3.35Å; D514-F517 PolarHBondContact O-N 3.1Å |
| 515 | P | 63.1 | Low | 63.9 | Low | 118 Ų | 118 | 80.6 Ų | 80.6 | 77% | 0.766 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -14.5 | 172.8 | -25.5 | 35.5 | 0 | 0 | 0 | 115.2 | F517 | P515-F517 VanDerWaalsContact C-N 3.32Š|
| 516 | A | 68 | Low | 65.3 | Low | 45 Ų | 45 | 81.8 Ų | 81.8 | 37% | 0.372 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -76 | -15.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D514 R519 S520 | D514-A516 PolarHBondContact O-N 3.16Å; D514-A516 VanDerWaalsContact O-N 3.07Å; D514-A516 VanDerWaalsContact OD1-CB 3.31Å; D514-A516 WeakPolarHBondContact OD1-CB 3.45Å; D514-A516 PolarHBondContact OD1-N 3.33Å; A516-R519 WeakPolarHBondContact O-CB 3.36Å; A516-R519 PolarHBondContact O-N 3.26Å; A516-S520 PolarHBondContact O-N 2.85Å |
| 517 | F | 74.4 | Confident | 65.8 | Low | 78 Ų | 78 | 81 Ų | 81 | 34% | 0.342 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.4 | -49.9 | -177 | 177.9 | -86 | 0 | 0 | 0 | 113.3 | F512 D514 P515 R519 S520 L521 | F512-F517 AromaticContact CD1-CD1 3.67Å; F512-F517 HydrophobicContact CD1-CD1 3.67Å; F512-F517 HydrophobicContact CD1-CE1 4.24Å; F512-F517 HydrophobicContact CD1-CG 4.48Å; F512-F517 AromaticContact CE1-CD1 3.59Å; F512-F517 HydrophobicContact CE1-CD1 3.59Å; F512-F517 AromaticContact CE1-CE1 3.79Å; F512-F517 HydrophobicContact CE1-CE1 3.79Å; D514-F517 WeakPolarHBondContact O-CB 3.35Å; D514-F517 PolarHBondContact O-N 3.1Å; P515-F517 VanDerWaalsContact C-N 3.32Å; F517-R519 PolarHBondContact O-N 3.07Å; F517-S520 PolarHBondContact O-N 2.97Å; F517-S520 PolarHBondContact O-OG 3.02Å; F517-S520 VanDerWaalsContact O-OG 3.05Å; F517-L521 HydrophobicContact CD1-CD1 4.27Å; F517-L521 HydrophobicContact CE1-CD1 3.69Å; F517-L521 HydrophobicContact CE1-CG 4.36Å; F517-L521 HydrophobicContact CZ-CD1 4.17Å; F517-L521 PolarHBondContact O-N 3.37Å |
| 518 | P | 76.4 | Confident | 66.7 | Low | 7 Ų | 7 | 78.5 Ų | 78.5 | 5% | 0.045 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.9 | -32.4 | 174.6 | -24 | 35.1 | 0 | 0 | 0 | 112.8 | I346 F512 R522 | I346-P518 HydrophobicContact CD1-CB 4.25Å; F512-P518 HydrophobicContact CD1-CG 4.16Å; F512-P518 HydrophobicContact CE1-CG 4.23Å; P518-R522 WeakPolarHBondContact O-CG 3.39Å; P518-R522 PolarHBondContact O-N 2.84Å |
| 519 | R | 76.9 | Confident | 67.1 | Low | 123 Ų | 123 | 76.1 Ų | 76.1 | 46% | 0.464 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 177.1 | -174.3 | -177.2 | -62.4 | -171.9 | 0.1 | 112.4 | A516 F517 L521 R522 E523 | A516-R519 WeakPolarHBondContact O-CB 3.36Å; A516-R519 PolarHBondContact O-N 3.26Å; F517-R519 PolarHBondContact O-N 3.07Å; R519-L521 VanDerWaalsContact C-N 3.26Å; R519-L521 PolarHBondContact O-N 3.33Å; R519-R522 PolarHBondContact O-N 2.9Å; R519-E523 VanDerWaalsContact CD-OE1 3.28Å; R519-E523 WeakPolarHBondContact CD-OE1 3.29Å; R519-E523 HydrophobicContact CG-CG 4.15Å; R519-E523 WeakPolarHBondContact CG-OE1 3.45Å; R519-E523 PolarHBondContact O-N 3.11Å |
| 520 | S | 79.3 | Confident | 67.3 | Low | 67 Ų | 67 | 71 Ų | 71 | 47% | 0.469 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.6 | -24.6 | -178.1 | 72 | 0 | 0 | 0 | 0 | 113.3 | A516 F517 P524 | A516-S520 PolarHBondContact O-N 2.85Å; F517-S520 PolarHBondContact O-N 2.97Å; F517-S520 PolarHBondContact O-OG 3.02Å; F517-S520 VanDerWaalsContact O-OG 3.05Å; S520-P524 WeakPolarHBondContact O-CD 3.33Å |
| 521 | L | 78.6 | Confident | 67.2 | Low | 20 Ų | 20 | 70.1 Ų | 70.1 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.5 | -37.8 | 168.4 | -60.8 | 178.5 | 0 | 0 | 0 | 112.5 | R343 I346 E347 F517 R519 | R343-L521 HydrophobicContact CB-CD1 4.37Å; R343-L521 HydrophobicContact CG-CD1 3.91Å; R343-L521 HydrophobicContact CG-CD2 4.29Å; I346-L521 HydrophobicContact CB-CD1 4.11Å; I346-L521 HydrophobicContact CD1-CD1 3.9Å; I346-L521 HydrophobicContact CG2-CB 3.95Å; I346-L521 HydrophobicContact CG2-CD1 4Å; E347-L521 HydrophobicContact CG-CB 4.39Å; F517-L521 HydrophobicContact CD1-CD1 4.27Å; F517-L521 HydrophobicContact CE1-CD1 3.69Å; F517-L521 HydrophobicContact CE1-CG 4.36Å; F517-L521 HydrophobicContact CZ-CD1 4.17Å; F517-L521 PolarHBondContact O-N 3.37Å; R519-L521 VanDerWaalsContact C-N 3.26Å; R519-L521 PolarHBondContact O-N 3.33Å |
| 522 | R | 82.3 | Confident | 67 | Low | 13 Ų | 13 | 68.4 Ų | 68.4 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -77.9 | -39.4 | -177.6 | -64.3 | 179.4 | -161.3 | 124.5 | 9.8 | 113.9 | I346 E350 D396 Y398 Y399 P518 R519 P524 I525 R526 | I346-R522 HydrophobicContact CG2-CG 4.05Å; E350-R522 HydrophobicContact CB-CG 4.03Å; E350-R522 HydrophobicContact CG-CB 3.9Å; E350-R522 HydrophobicContact CG-CG 3.92Å; D396-R522 IonicContact OD1-NH1 2.7Å; D396-R522 IonicContact OD2-CZ 3.34Å; D396-R522 IonicContact OD2-NH1 3.33Å; D396-R522 PolarHBondContact OD2-NH1 2.94Å; D396-R522 IonicContact OD2-NH2 3.94Å; D396-R522 PolarHBondContact OD2-NH2 3.1Å; Y398-R522 VanDerWaalsContact CD1-CZ 3.44Å; Y399-R522 VanDerWaalsContact CZ-NH2 3.25Å; Y399-R522 PolarHBondContact OH-NH2 2.98Å; P518-R522 WeakPolarHBondContact O-CG 3.39Å; P518-R522 PolarHBondContact O-N 2.84Å; R519-R522 PolarHBondContact O-N 2.9Å; R522-P524 VanDerWaalsContact C-CD 3.48Å; R522-I525 PolarHBondContact O-N 3.22Å; R522-R526 WeakPolarHBondContact O-CB 3.23Å; R522-R526 PolarHBondContact O-N 2.87Å |
| 523 | E | 80.3 | Confident | 65.9 | Low | 114 Ų | 114 | 69.4 Ų | 69.4 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -53.6 | -38.9 | -173.5 | -79.8 | 179.5 | -172.5 | 0 | 0 | 115.5 | R519 | R519-E523 VanDerWaalsContact CD-OE1 3.28Å; R519-E523 WeakPolarHBondContact CD-OE1 3.29Å; R519-E523 HydrophobicContact CG-CG 4.15Å; R519-E523 WeakPolarHBondContact CG-OE1 3.45Å; R519-E523 PolarHBondContact O-N 3.11Å |
| 524 | P | 79 | Confident | 65.1 | Low | 83 Ų | 83 | 70.1 Ų | 70.1 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 171.6 | -24.8 | 34.9 | 0 | 0 | 0 | 113.6 | S520 R522 S527 | S520-P524 WeakPolarHBondContact O-CD 3.33Å; R522-P524 VanDerWaalsContact C-CD 3.48Å; P524-S527 PolarHBondContact O-OG 2.67Å |
| 525 | I | 78.1 | Confident | 63.6 | Low | 19 Ų | 19 | 75 Ų | 75 | 10% | 0.097 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -79.6 | -37.8 | -171.9 | -54.7 | 174.3 | 0 | 0 | 0 | 111.1 | P307 E347 E350 M351 R522 S527 A528 | P307-I525 HydrophobicContact CB-CD1 4.02Å; E347-I525 HydrophobicContact CB-CD1 4.02Å; E347-I525 HydrophobicContact CG-CD1 4.33Å; E347-I525 VanDerWaalsContact O-CD1 3.29Å; E347-I525 WeakPolarHBondContact O-CD1 3.14Å; E350-I525 HydrophobicContact CB-CG2 4.39Å; E350-I525 HydrophobicContact CG-CB 3.85Å; E350-I525 HydrophobicContact CG-CG2 3.84Å; M351-I525 HydrophobicContact CB-CG2 4.17Å; R522-I525 PolarHBondContact O-N 3.22Å; I525-S527 PolarHBondContact O-N 2.03Å; I525-A528 WeakPolarHBondContact O-CB 3.37Å; I525-A528 PolarHBondContact O-N 3.33Å |
| 526 | R | 73.9 | Confident | 62.4 | Low | 148 Ų | 148 | 75.4 Ų | 75.4 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -20.8 | 177.2 | -176.8 | 168.9 | -178.4 | -176.2 | 4.6 | 114.7 | E350 R522 | E350-R526 WeakPolarHBondContact OE1-CB 3.41Å; R522-R526 WeakPolarHBondContact O-CB 3.23Å; R522-R526 PolarHBondContact O-N 2.87Å |
| 527 | S | 60.7 | Low | 60.7 | Low | 40 Ų | 40 | 77 Ų | 77 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 0 | 176.5 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | P524 I525 K531 | P524-S527 PolarHBondContact O-OG 2.67Å; I525-S527 PolarHBondContact O-N 2.03Å; S527-K531 WeakPolarHBondContact O-CB 3.4Å; S527-K531 WeakPolarHBondContact O-CD 3.4Å; S527-K531 WeakPolarHBondContact O-CG 3Å; S527-K531 PolarHBondContact O-N 3.02Å; S527-K531 VanDerWaalsContact O-N 3.1Å; S527-K531 WeakPolarHBondContact OG-CE 3.38Å; S527-K531 PolarHBondContact OG-NZ 3Å |
| 528 | A | 63.3 | Low | 58.8 | Low | 36 Ų | 36 | 78.6 Ų | 78.6 | 30% | 0.298 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.6 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I525 D530 K531 S532 | I525-A528 WeakPolarHBondContact O-CB 3.37Å; I525-A528 PolarHBondContact O-N 3.33Å; A528-D530 PolarHBondContact O-N 3.23Å; A528-K531 PolarHBondContact O-N 3.14Å; A528-K531 VanDerWaalsContact O-N 3.17Å; A528-S532 PolarHBondContact O-N 3.23Å |
| 529 | V | 57.3 | Low | 56.9 | Low | 4 Ų | 4 | 88.9 Ų | 88.9 | 2% | 0.024 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.8 | -34.9 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | Q354 K358 F370 S532 | Q354-V529 HydrophobicContact CB-CB 3.93Å; Q354-V529 HydrophobicContact CB-CG1 4.37Å; Q354-V529 HydrophobicContact CB-CG2 3.47Å; Q354-V529 VanDerWaalsContact CB-CG2 3.47Å; Q354-V529 HydrophobicContact CG-CG2 4.41Å; K358-V529 HydrophobicContact CB-CG1 4.24Å; K358-V529 HydrophobicContact CD-CG1 3.54Å; K358-V529 HydrophobicContact CG-CG1 4.48Å; F370-V529 HydrophobicContact CB-CG1 4.17Å; F370-V529 HydrophobicContact CB-CG2 4.41Å; F370-V529 HydrophobicContact CD1-CG2 4.34Å; F370-V529 HydrophobicContact CD2-CB 4.28Å; F370-V529 HydrophobicContact CD2-CG2 3.69Å; F370-V529 HydrophobicContact CE2-CG2 3.99Å; F370-V529 HydrophobicContact CG-CG1 4.49Å; F370-V529 HydrophobicContact CG-CG2 3.87Å; F370-V529 HydrophobicContact CZ-CG2 4.44Å; V529-S532 PolarHBondContact O-OG 3.31Å |
| 530 | D | 52.5 | Low | 55.1 | Low | 112 Ų | 112 | 92 Ų | 92 | 60% | 0.599 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.6 | -28.1 | 172.3 | -83.4 | -21.2 | 0 | 0 | 0 | 113.3 | A528 S532 C533 | A528-D530 PolarHBondContact O-N 3.23Å; D530-S532 VanDerWaalsContact C-N 3.29Å; D530-S532 PolarHBondContact O-N 2.87Å; D530-C533 WeakPolarHBondContact O-CB 3.37Å; D530-C533 PolarHBondContact O-N 3.21Å |
| 531 | K | 48.4 | Very low | 53 | Low | 123 Ų | 123 | 97.1 Ų | 97.1 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.6 | -17.5 | 177.6 | -76.3 | 159.4 | -169.1 | 154.3 | 0 | 112.9 | S527 A528 C533 | S527-K531 WeakPolarHBondContact O-CB 3.4Å; S527-K531 WeakPolarHBondContact O-CD 3.4Å; S527-K531 WeakPolarHBondContact O-CG 3Å; S527-K531 PolarHBondContact O-N 3.02Å; S527-K531 VanDerWaalsContact O-N 3.1Å; S527-K531 WeakPolarHBondContact OG-CE 3.38Å; S527-K531 PolarHBondContact OG-NZ 3Å; A528-K531 PolarHBondContact O-N 3.14Å; A528-K531 VanDerWaalsContact O-N 3.17Å; K531-C533 VanDerWaalsContact C-N 3.32Å |
| 532 | S | 44.5 | Very low | 51 | Low | 45 Ų | 45 | 102.8 Ų | 102.8 | 32% | 0.315 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -4.7 | 170.1 | 74.9 | 0 | 0 | 0 | 0 | 113.8 | K358 D369 A528 V529 D530 | K358-S532 PolarHBondContact NZ-OG 3.1Å; D369-S532 PolarHBondContact O-OG 3.05Å; A528-S532 PolarHBondContact O-N 3.23Å; V529-S532 PolarHBondContact O-OG 3.31Å; D530-S532 VanDerWaalsContact C-N 3.29Å; D530-S532 PolarHBondContact O-N 2.87Å |
| 533 | C | 32.8 | Very low | 49.3 | Very low | 57 Ų | 57 | 105.6 Ų | 105.6 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -76.5 | 137.4 | 166.9 | -69.1 | 0 | 0 | 0 | 0 | 111 | D530 K531 R535 | D530-C533 WeakPolarHBondContact O-CB 3.37Å; D530-C533 PolarHBondContact O-N 3.21Å; K531-C533 VanDerWaalsContact C-N 3.32Å; C533-R535 PolarHBondContact O-N 2.91Å |
| 534 | P | 35.6 | Very low | 47.6 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 84% | 0.844 | 59% | 0.585 | S | S | * | * | trans | -66.5 | 106.5 | 173.2 | 27.9 | -33.3 | 0 | 0 | 0 | 109.4 | ||||
| 535 | R | 31.2 | Very low | 46.1 | Very low | 192 Ų | 192 | 108.3 Ų | 108.3 | 73% | 0.725 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 140.1 | 174.4 | -68.7 | -179.7 | 174.6 | -178.5 | -3 | 109.9 | C533 A537 | C533-R535 PolarHBondContact O-N 2.91Å; R535-A537 PolarHBondContact O-N 3.13Å |
| 536 | P | 36.9 | Very low | 45 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -54.3 | 128.1 | 162.7 | 25.4 | -32.8 | 0 | 0 | 0 | 107.7 | ||
| 537 | A | 32.2 | Very low | 44.2 | Very low | 79 Ų | 79 | 112.5 Ų | 112.5 | 65% | 0.653 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 133.2 | -158.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R535 | R535-A537 PolarHBondContact O-N 3.13Š|
| 538 | P | 34.7 | Very low | 44.3 | Very low | 111 Ų | 111 | 113.7 Ų | 113.7 | 72% | 0.721 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 145.9 | 175.9 | 25.7 | -33.8 | 0 | 0 | 0 | 110.2 | R540 | P538-R540 PolarHBondContact O-N 2.85Š|
| 539 | Y | 36 | Very low | 44.9 | Very low | 223 Ų | 223 | 113 Ų | 113 | 88% | 0.875 | 62% | 0.624 | S | S | * | * | trans | -49.3 | 109.9 | -170.6 | -165.1 | -90 | 0 | 0 | 0 | 111.6 | E541 | Y539-E541 PolarHBondContact O-N 3.12Š| ||
| 540 | R | 39.1 | Very low | 45.9 | Very low | 189 Ų | 189 | 118.3 Ų | 118.3 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | trans | -60.9 | 128.7 | -178.4 | -76.7 | -177.6 | 171.9 | 166.7 | -1.9 | 110.2 | P538 | P538-R540 PolarHBondContact O-N 2.85Š| ||
| 541 | E | 35.3 | Very low | 47.2 | Very low | 175 Ų | 175 | 113.3 Ų | 113.3 | 82% | 0.818 | 62% | 0.617 | S | S | * | * | trans | -60.5 | 133.7 | 164.7 | -70 | -162.7 | 142.1 | 0 | 0 | 109.8 | Y539 G543 | Y539-E541 PolarHBondContact O-N 3.12Å; E541-G543 PolarHBondContact O-N 3.18Å | ||
| 542 | P | 36.8 | Very low | 48.3 | Very low | 139 Ų | 139 | 113.4 Ų | 113.4 | 90% | 0.903 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 73.8 | -179.4 | 31.5 | -35.4 | 0 | 0 | 0 | 111 | ||
| 543 | G | 47.1 | Very low | 49.9 | Very low | 71 Ų | 71 | 115 Ų | 115 | 73% | 0.732 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.4 | -30.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | E541 | E541-G543 PolarHBondContact O-N 3.18Š|
| 544 | M | 44.3 | Very low | 52.2 | Low | 172 Ų | 172 | 114 Ų | 114 | 85% | 0.847 | 61% | 0.614 | S | S | * | * | trans | -113.5 | 114.5 | 179.6 | -65.1 | -159.4 | -173.2 | 0 | 0 | 112.2 | ||||
| 545 | G | 48.3 | Very low | 54.1 | Low | 82 Ų | 82 | 113 Ų | 113 | 85% | 0.845 | 60% | 0.599 | S | S | * | * | trans | -98.8 | 19.5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 546 | R | 53.8 | Low | 56 | Low | 167 Ų | 167 | 105.8 Ų | 105.8 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -141.3 | 146.1 | 174.7 | -69.6 | -170.2 | 178.4 | -170.2 | 1.4 | 111.2 | E560 | R546-E560 IonicContact CZ-OE2 3.65Å; R546-E560 IonicContact NH1-OE2 3.25Å; R546-E560 PolarHBondContact NH1-OE2 3.32Å; R546-E560 IonicContact NH2-OE2 3.05Å |
| 547 | P | 56.4 | Low | 57.7 | Low | 88 Ų | 88 | 107.3 Ų | 107.3 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 162 | 171.2 | 32.1 | -35.5 | 0 | 0 | 0 | 111.5 | ||
| 548 | P | 64.6 | Low | 59.9 | Low | 66 Ų | 66 | 105.5 Ų | 105.5 | 43% | 0.429 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 152.4 | 169.5 | 28.9 | -34.8 | 0 | 0 | 0 | 111 | D597 | P548-D597 HydrophobicContact CB-CB 4.28Š|
| 549 | L | 74.9 | Confident | 62 | Low | 21 Ų | 21 | 104.9 Ų | 104.9 | 11% | 0.11 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -80.2 | 129.6 | 175.8 | -177.3 | 64 | 0 | 0 | 0 | 109.4 | D553 F554 H561 L564 F601 | L549-D553 HydrophobicContact CD1-CB 4.03Å; L549-F554 HydrophobicContact CD2-CD2 3.97Å; L549-H561 HydrophobicContact CD2-CB 3.62Å; L549-L564 HydrophobicContact CB-CD2 3.91Å; L549-F601 HydrophobicContact CG-CE2 4.46Å; L549-F601 WeakPolarHBondContact O-CD2 3.49Å |
| 550 | R | 78.7 | Confident | 63.9 | Low | 115 Ų | 115 | 99.1 Ų | 99.1 | 43% | 0.434 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 160 | 173.2 | -60.3 | -173 | -56.9 | 154.8 | 11 | 111.1 | Q552 D553 F554 E604 | R550-Q552 PolarHBondContact O-N 3.5Å; R550-D553 IonicContact CZ-OD2 3.87Å; R550-D553 VanDerWaalsContact CZ-OD2 3.32Å; R550-D553 IonicContact NE-OD2 3.62Å; R550-D553 PolarHBondContact NE-OD2 3.09Å; R550-D553 IonicContact NH2-OD1 2.75Å; R550-D553 IonicContact NH2-OD2 3.49Å; R550-D553 PolarHBondContact NH2-OD2 3.2Å; R550-D553 PolarHBondContact O-N 2.72Å; R550-F554 PolarHBondContact O-N 3.09Å; R550-E604 WeakPolarHBondContact CA-OE2 3.01Å; R550-E604 WeakPolarHBondContact CB-OE2 3.44Å |
| 551 | A | 79 | Confident | 66 | Low | 7 Ų | 7 | 91.6 Ų | 91.6 | 6% | 0.058 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -62.8 | -40.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | D553 F554 F601 E604 M605 L608 | A551-D553 PolarHBondContact O-N 3Å; A551-F554 VanDerWaalsContact O-CB 3.26Å; A551-F554 WeakPolarHBondContact O-CB 3.24Å; A551-F554 PolarHBondContact O-N 2.94Å; A551-F554 VanDerWaalsContact O-N 3.09Å; A551-F601 HydrophobicContact CB-CE2 4.32Å; A551-E604 HydrophobicContact CB-CB 3.41Å; A551-E604 VanDerWaalsContact CB-CB 3.41Å; A551-E604 PolarHBondContact N-OE2 2.87Å; A551-M605 HydrophobicContact CB-CB 4.37Å; A551-M605 HydrophobicContact CB-CG 3.67Å; A551-M605 HydrophobicContact CB-SD 3.65Å; A551-L608 HydrophobicContact CB-CD1 3.66Å |
| 552 | Q | 72.9 | Confident | 68.2 | Low | 126 Ų | 126 | 86.4 Ų | 86.4 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -60.3 | -30.1 | 177.2 | -64.8 | 178.4 | -7.6 | 0 | 0 | 112.9 | R550 L608 | R550-Q552 PolarHBondContact O-N 3.5Å; Q552-L608 HydrophobicContact CG-CD1 3.84Å; Q552-L608 HydrophobicContact CG-CD2 4.04Å; Q552-L608 HydrophobicContact CG-CG 4.5Å |
| 553 | D | 76.4 | Confident | 70.3 | Confident | 78 Ų | 78 | 82.6 Ų | 82.6 | 42% | 0.417 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -93.5 | 2.2 | -177.9 | -58.3 | -63.1 | 0 | 0 | 0 | 111.8 | L549 R550 A551 H561 | L549-D553 HydrophobicContact CD1-CB 4.03Å; R550-D553 IonicContact CZ-OD2 3.87Å; R550-D553 VanDerWaalsContact CZ-OD2 3.32Å; R550-D553 IonicContact NE-OD2 3.62Å; R550-D553 PolarHBondContact NE-OD2 3.09Å; R550-D553 IonicContact NH2-OD1 2.75Å; R550-D553 IonicContact NH2-OD2 3.49Å; R550-D553 PolarHBondContact NH2-OD2 3.2Å; R550-D553 PolarHBondContact O-N 2.72Å; A551-D553 PolarHBondContact O-N 3Å; D553-H561 PolarHBondContact O-CE1 3.48Å; D553-H561 PolarHBondContact O-ND1 2.95Å |
| 554 | F | 82.4 | Confident | 72 | Confident | 37 Ų | 37 | 81.3 Ų | 81.3 | 16% | 0.162 | 44% | 0.435 | C | S | . | . | trans | -74.5 | 147 | -176.8 | -177.9 | -117.5 | 0 | 0 | 0 | 113.2 | L549 R550 A551 A556 H561 L562 L565 L572 F601 | L549-F554 HydrophobicContact CD2-CD2 3.97Å; R550-F554 PolarHBondContact O-N 3.09Å; A551-F554 VanDerWaalsContact O-CB 3.26Å; A551-F554 WeakPolarHBondContact O-CB 3.24Å; A551-F554 PolarHBondContact O-N 2.94Å; A551-F554 VanDerWaalsContact O-N 3.09Å; F554-A556 HydrophobicContact CE1-CB 4.01Å; F554-A556 HydrophobicContact CZ-CB 4.18Å; F554-H561 HydrophobicContact CD2-CB 4.1Å; F554-H561 HydrophobicContact CE2-CB 4.09Å; F554-L562 HydrophobicContact CZ-CD2 4.38Å; F554-L565 HydrophobicContact CD2-CD1 4.18Å; F554-L565 HydrophobicContact CE2-CD1 3.41Å; F554-L565 VanDerWaalsContact CE2-CD1 3.41Å; F554-L565 HydrophobicContact CE2-CG 4.01Å; F554-L565 HydrophobicContact CZ-CD1 3.67Å; F554-L572 HydrophobicContact CE1-CD1 4.4Å; F554-L572 HydrophobicContact CZ-CD1 3.87Å; F554-F601 HydrophobicContact CB-CE2 3.94Å; F554-F601 HydrophobicContact CB-CZ 3.83Å; F554-F601 HydrophobicContact CD1-CZ 4.18Å; F554-F601 HydrophobicContact CD2-CE2 4.32Å; F554-F601 AromaticContact CD2-CZ 3.87Å; F554-F601 HydrophobicContact CD2-CZ 3.87Å; F554-F601 HydrophobicContact CG-CE2 4.21Å; F554-F601 AromaticContact CG-CZ 3.68Å; F554-F601 HydrophobicContact CG-CZ 3.68Å | ||
| 555 | M | 75.3 | Confident | 73.9 | Confident | 107 Ų | 107 | 73.2 Ų | 73.2 | 53% | 0.527 | 40% | 0.396 | S | S | . | . | trans | -144.1 | 112 | 174 | -72.6 | -173.5 | -79 | 0 | 0 | 108.7 | N557 N558 H561 | M555-N557 PolarHBondContact O-N 3.05Å; M555-N557 VanDerWaalsContact O-N 3.09Å; M555-N558 HydrophobicContact CB-CB 3.94Å; M555-N558 HydrophobicContact CE-CB 4.44Å; M555-N558 PolarHBondContact O-N 2.86Å; M555-H561 PolarHBondContact N-ND1 3.21Å | ||
| 556 | A | 70.8 | Confident | 75.6 | Confident | 41 Ų | 41 | 77 Ų | 77 | 34% | 0.339 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F554 | F554-A556 HydrophobicContact CE1-CB 4.01Å; F554-A556 HydrophobicContact CZ-CB 4.18Å |
| 557 | N | 72 | Confident | 77 | Confident | 160 Ų | 160 | 75.1 Ų | 75.1 | 86% | 0.856 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.9 | -179.7 | -62.1 | -12.1 | 0 | 0 | 0 | 113.8 | M555 P559 | M555-N557 PolarHBondContact O-N 3.05Å; M555-N557 VanDerWaalsContact O-N 3.09Å; N557-P559 WeakPolarHBondContact O-CD 3.31Å |
| 558 | N | 79.7 | Confident | 78.4 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 21% | 0.214 | 35% | 0.353 | C | S | . | . | trans | -91.2 | 115.1 | -179.5 | -177.4 | -5.3 | 0 | 0 | 0 | 111.2 | M555 E560 H561 L562 | M555-N558 HydrophobicContact CB-CB 3.94Å; M555-N558 HydrophobicContact CE-CB 4.44Å; M555-N558 PolarHBondContact O-N 2.86Å; N558-E560 VanDerWaalsContact C-N 3.28Å; N558-E560 PolarHBondContact O-N 3.24Å; N558-E560 PolarHBondContact OD1-N 3.16Å; N558-H561 HydrophobicContact CB-CB 4.05Å; N558-H561 PolarHBondContact ND2-CD2 3.03Å; N558-H561 PolarHBondContact ND2-CE1 3.21Å; N558-H561 PolarHBondContact ND2-NE2 2.71Å; N558-H561 PolarHBondContact O-N 3.26Å; N558-L562 PolarHBondContact O-N 2.99Å; N558-L562 VanDerWaalsContact O-N 3.14Å | ||
| 559 | P | 77.4 | Confident | 79.3 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.6 | -27.8 | -178.5 | 26.5 | -35.3 | 0 | 0 | 0 | 114 | N557 E563 | N557-P559 WeakPolarHBondContact O-CD 3.31Å; P559-E563 PolarHBondContact O-N 3.19Å |
| 560 | E | 77.1 | Confident | 79.9 | Confident | 102 Ų | 102 | 67.7 Ų | 67.7 | 48% | 0.477 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 173.4 | -68.6 | -159.6 | -171.5 | 0 | 0 | 111.4 | R546 N558 E563 L564 | R546-E560 IonicContact CZ-OE2 3.65Å; R546-E560 IonicContact NH1-OE2 3.25Å; R546-E560 PolarHBondContact NH1-OE2 3.32Å; R546-E560 IonicContact NH2-OE2 3.05Å; N558-E560 VanDerWaalsContact C-N 3.28Å; N558-E560 PolarHBondContact O-N 3.24Å; N558-E560 PolarHBondContact OD1-N 3.16Å; E560-E563 PolarHBondContact O-N 2.79Å; E560-L564 VanDerWaalsContact O-CD1 3.25Å; E560-L564 WeakPolarHBondContact O-CD1 3.36Å; E560-L564 PolarHBondContact O-N 2.99Å |
| 561 | H | 82.6 | Confident | 80 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.5 | -38.8 | 180 | -67.2 | -169.5 | 0 | 0 | 0 | 111.1 | L549 D553 F554 M555 N558 L564 L565 | L549-H561 HydrophobicContact CD2-CB 3.62Å; D553-H561 PolarHBondContact O-CE1 3.48Å; D553-H561 PolarHBondContact O-ND1 2.95Å; F554-H561 HydrophobicContact CD2-CB 4.1Å; F554-H561 HydrophobicContact CE2-CB 4.09Å; M555-H561 PolarHBondContact N-ND1 3.21Å; N558-H561 HydrophobicContact CB-CB 4.05Å; N558-H561 PolarHBondContact ND2-CD2 3.03Å; N558-H561 PolarHBondContact ND2-CE1 3.21Å; N558-H561 PolarHBondContact ND2-NE2 2.71Å; N558-H561 PolarHBondContact O-N 3.26Å; H561-L564 PolarHBondContact O-N 2.76Å; H561-L565 WeakPolarHBondContact O-CG 3.46Å; H561-L565 PolarHBondContact O-N 3.35Å |
| 562 | L | 82.1 | Confident | 80.1 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 175.5 | -63.8 | 176.7 | 0 | 0 | 0 | 112.9 | F554 N558 L565 R566 L572 | F554-L562 HydrophobicContact CZ-CD2 4.38Å; N558-L562 PolarHBondContact O-N 2.99Å; N558-L562 VanDerWaalsContact O-N 3.14Å; L562-L565 PolarHBondContact O-N 3.38Å; L562-R566 WeakPolarHBondContact O-CB 3.17Å; L562-R566 PolarHBondContact O-N 3.13Å; L562-L572 HydrophobicContact CD2-CD1 3.79Å |
| 563 | E | 81.1 | Confident | 80.4 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72 | -29.9 | 174.8 | 172.1 | 62.7 | -173.3 | 0 | 0 | 112.3 | P559 E560 R566 R567 | P559-E563 PolarHBondContact O-N 3.19Å; E560-E563 PolarHBondContact O-N 2.79Å; E563-R566 IonicContact OE1-NH2 2.78Å; E563-R566 PolarHBondContact OE1-NH2 2.94Å; E563-R566 IonicContact OE2-CZ 2.73Å; E563-R566 IonicContact OE2-NE 2.7Å; E563-R566 PolarHBondContact OE2-NE 2.99Å; E563-R566 IonicContact OE2-NH2 3.18Å; E563-R566 PolarHBondContact OE2-NH2 3.3Å; E563-R567 WeakPolarHBondContact O-CD 3.33Å; E563-R567 VanDerWaalsContact O-CG 3.26Å; E563-R567 WeakPolarHBondContact O-CG 3.35Å; E563-R567 PolarHBondContact O-N 2.9Å; E563-R567 VanDerWaalsContact O-N 3.14Å; E563-R567 IonicContact OE1-CZ 3.84Å; E563-R567 IonicContact OE1-NE 3.23Å; E563-R567 PolarHBondContact OE1-NE 2.86Å; E563-R567 IonicContact OE1-NH2 3.21Å; E563-R567 PolarHBondContact OE1-NH2 3.05Å |
| 564 | L | 83.1 | Confident | 80.3 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 169.3 | -98.6 | 78.4 | 0 | 0 | 0 | 111.7 | L549 E560 H561 R566 R567 M568 | L549-L564 HydrophobicContact CB-CD2 3.91Å; E560-L564 VanDerWaalsContact O-CD1 3.25Å; E560-L564 WeakPolarHBondContact O-CD1 3.36Å; E560-L564 PolarHBondContact O-N 2.99Å; H561-L564 PolarHBondContact O-N 2.76Å; L564-R566 VanDerWaalsContact C-N 3.32Å; L564-R566 PolarHBondContact O-N 3.48Å; L564-R567 WeakPolarHBondContact O-CB 3.35Å; L564-R567 PolarHBondContact O-N 3.27Å; L564-M568 WeakPolarHBondContact O-CG 3.48Å; L564-M568 PolarHBondContact O-N 3.23Å; L564-M568 VanDerWaalsContact O-N 3.09Å |
| 565 | L | 83.4 | Confident | 79.8 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.8 | -47.8 | 174.8 | -70.7 | -167.7 | 0 | 0 | 0 | 111.5 | F554 H561 L562 R567 M568 G569 V570 L582 F601 | F554-L565 HydrophobicContact CD2-CD1 4.18Å; F554-L565 HydrophobicContact CE2-CD1 3.41Å; F554-L565 VanDerWaalsContact CE2-CD1 3.41Å; F554-L565 HydrophobicContact CE2-CG 4.01Å; F554-L565 HydrophobicContact CZ-CD1 3.67Å; H561-L565 WeakPolarHBondContact O-CG 3.46Å; H561-L565 PolarHBondContact O-N 3.35Å; L562-L565 PolarHBondContact O-N 3.38Å; L565-R567 VanDerWaalsContact C-N 3.25Å; L565-R567 PolarHBondContact O-N 2.9Å; L565-M568 HydrophobicContact CD2-CE 3.75Å; L565-M568 CarbonylContact O-C 3.46Å; L565-M568 WeakPolarHBondContact O-CA 3.4Å; L565-M568 PolarHBondContact O-N 3.41Å; L565-G569 PolarHBondContact O-N 2.86Å; L565-V570 CarbonylContact C-O 3.54Å; L565-V570 HydrophobicContact CB-CB 4.1Å; L565-V570 HydrophobicContact CB-CG1 4.41Å; L565-V570 HydrophobicContact CD1-CG1 4.27Å; L565-V570 HydrophobicContact CD2-CB 4.29Å; L565-V570 HydrophobicContact CD2-CG1 4.32Å; L565-V570 PolarHBondContact O-N 3.39Å; L565-L582 HydrophobicContact CD1-CD2 4.01Å; L565-F601 HydrophobicContact CD1-CE1 4.2Å; L565-F601 HydrophobicContact CD1-CZ 4.4Å; L565-F601 HydrophobicContact CD2-CD1 3.63Å; L565-F601 HydrophobicContact CD2-CD2 4.1Å; L565-F601 HydrophobicContact CD2-CE1 3.45Å; L565-F601 VanDerWaalsContact CD2-CE1 3.45Å; L565-F601 HydrophobicContact CD2-CE2 3.92Å; L565-F601 HydrophobicContact CD2-CG 3.97Å; L565-F601 HydrophobicContact CD2-CZ 3.62Å; L565-F601 HydrophobicContact CG-CE1 4.49Å |
| 566 | R | 83.3 | Confident | 79.2 | Confident | 161 Ų | 161 | 73 Ų | 73 | 61% | 0.608 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.7 | -35 | 179.9 | -161.4 | 177.6 | 71.6 | 94.5 | 4.6 | 112.6 | L562 E563 L564 G569 V570 | L562-R566 WeakPolarHBondContact O-CB 3.17Å; L562-R566 PolarHBondContact O-N 3.13Å; E563-R566 IonicContact OE1-NH2 2.78Å; E563-R566 PolarHBondContact OE1-NH2 2.94Å; E563-R566 IonicContact OE2-CZ 2.73Å; E563-R566 IonicContact OE2-NE 2.7Å; E563-R566 PolarHBondContact OE2-NE 2.99Å; E563-R566 IonicContact OE2-NH2 3.18Å; E563-R566 PolarHBondContact OE2-NH2 3.3Å; L564-R566 VanDerWaalsContact C-N 3.32Å; L564-R566 PolarHBondContact O-N 3.48Å; R566-G569 PolarHBondContact O-N 3.25Å; R566-V570 PolarHBondContact N-O 3.17Å |
| 567 | R | 83.6 | Confident | 78.5 | Confident | 128 Ų | 128 | 75.3 Ų | 75.3 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.2 | -31.7 | 174.1 | -73.3 | 168.8 | -176.5 | -142.5 | -1.3 | 113.4 | E563 L564 L565 G569 A589 V590 | E563-R567 WeakPolarHBondContact O-CD 3.33Å; E563-R567 VanDerWaalsContact O-CG 3.26Å; E563-R567 WeakPolarHBondContact O-CG 3.35Å; E563-R567 PolarHBondContact O-N 2.9Å; E563-R567 VanDerWaalsContact O-N 3.14Å; E563-R567 IonicContact OE1-CZ 3.84Å; E563-R567 IonicContact OE1-NE 3.23Å; E563-R567 PolarHBondContact OE1-NE 2.86Å; E563-R567 IonicContact OE1-NH2 3.21Å; E563-R567 PolarHBondContact OE1-NH2 3.05Å; L564-R567 WeakPolarHBondContact O-CB 3.35Å; L564-R567 PolarHBondContact O-N 3.27Å; L565-R567 VanDerWaalsContact C-N 3.25Å; L565-R567 PolarHBondContact O-N 2.9Å; R567-G569 PolarHBondContact O-N 3.38Å; R567-A589 CarbonylContact O-C 3.57Å; R567-A589 VanDerWaalsContact O-CA 3.28Å; R567-A589 WeakPolarHBondContact O-CA 3.35Å; R567-V590 HydrophobicContact CB-CG1 4.41Å; R567-V590 HydrophobicContact CB-CG2 4.12Å; R567-V590 HydrophobicContact CG-CG1 4.24Å; R567-V590 PolarHBondContact O-N 3.35Å |
| 568 | M | 85.9 | Confident | 77.7 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 6% | 0.059 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 5.3 | 173.2 | -62.4 | -171.8 | -55.1 | 0 | 0 | 113 | L564 L565 V570 A594 D597 F601 | L564-M568 WeakPolarHBondContact O-CG 3.48Å; L564-M568 PolarHBondContact O-N 3.23Å; L564-M568 VanDerWaalsContact O-N 3.09Å; L565-M568 HydrophobicContact CD2-CE 3.75Å; L565-M568 CarbonylContact O-C 3.46Å; L565-M568 WeakPolarHBondContact O-CA 3.4Å; L565-M568 PolarHBondContact O-N 3.41Å; M568-V570 PolarHBondContact O-N 3.04Å; M568-A594 WeakPolarHBondContact CA-O 3.44Å; M568-A594 VanDerWaalsContact CB-O 3.26Å; M568-A594 WeakPolarHBondContact CB-O 3.34Å; M568-D597 HydrophobicContact CG-CB 4.48Å; M568-D597 HydrophobicContact SD-CB 3.76Å; M568-F601 HydrophobicContact CE-CB 4.27Å; M568-F601 HydrophobicContact CE-CD2 4.47Å; M568-F601 HydrophobicContact CE-CG 4.35Å |
| 569 | G | 84 | Confident | 77.1 | Confident | 2 Ų | 2 | 77 Ų | 77 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 14.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L565 R566 R567 H585 | L565-G569 PolarHBondContact O-N 2.86Å; R566-G569 PolarHBondContact O-N 3.25Å; R567-G569 PolarHBondContact O-N 3.38Å; G569-H585 PolarHBondContact O-N 2.87Å |
| 570 | V | 87 | Confident | 76.8 | Confident | 4 Ų | 4 | 75.8 Ų | 75.8 | 2% | 0.024 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.5 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | L565 R566 M568 L582 Q584 M602 | L565-V570 CarbonylContact C-O 3.54Å; L565-V570 HydrophobicContact CB-CB 4.1Å; L565-V570 HydrophobicContact CB-CG1 4.41Å; L565-V570 HydrophobicContact CD1-CG1 4.27Å; L565-V570 HydrophobicContact CD2-CB 4.29Å; L565-V570 HydrophobicContact CD2-CG1 4.32Å; L565-V570 PolarHBondContact O-N 3.39Å; R566-V570 PolarHBondContact N-O 3.17Å; M568-V570 PolarHBondContact O-N 3.04Å; V570-L582 HydrophobicContact CG1-CB 4.39Å; V570-L582 HydrophobicContact CG1-CD2 4.08Å; V570-Q584 HydrophobicContact CG2-CG 4.22Å; V570-M602 HydrophobicContact CG1-SD 3.95Å; V570-M602 HydrophobicContact CG2-CG 4.23Å |
| 571 | S | 81.7 | Confident | 76.7 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 149.7 | 177.3 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | L582 V583 | S571-L582 WeakPolarHBondContact O-CA 3.34Å; S571-V583 PolarHBondContact N-O 3.4Å; S571-V583 PolarHBondContact O-N 2.82Å; S571-V583 PolarHBondContact OG-O 3.48Å |
| 572 | L | 79.9 | Confident | 76.7 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 21% | 0.209 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 114.5 | -176.1 | -170.7 | 158.6 | 0 | 0 | 0 | 109.2 | F554 L562 H574 V580 L582 | F554-L572 HydrophobicContact CE1-CD1 4.4Å; F554-L572 HydrophobicContact CZ-CD1 3.87Å; L562-L572 HydrophobicContact CD2-CD1 3.79Å; L572-H574 WeakPolarHBondContact CD2-CE1 3.34Å; L572-V580 HydrophobicContact CD1-CG1 3.89Å; L572-V580 HydrophobicContact CD2-CG1 3.55Å; L572-V580 HydrophobicContact CG-CG1 3.51Å; L572-L582 HydrophobicContact CB-CD2 4.03Å; L572-L582 HydrophobicContact CD1-CD2 3.99Å; L572-L582 HydrophobicContact CG-CD2 3.97Å |
| 573 | I | 79.1 | Confident | 76.7 | Confident | 74 Ų | 74 | 74 Ų | 74 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.7 | -176 | -53.9 | -178.7 | 0 | 0 | 0 | 108.5 | Q581 V583 | I573-Q581 HydrophobicContact CB-CB 4.49Å; I573-Q581 PolarHBondContact N-O 3.04Å; I573-Q581 PolarHBondContact O-N 3.5Å; I573-V583 HydrophobicContact CD1-CB 4.32Å; I573-V583 HydrophobicContact CD1-CG2 3.73Å; I573-V583 HydrophobicContact CG1-CG2 4.4Å |
| 574 | H | 74 | Confident | 76.7 | Confident | 141 Ų | 141 | 74.2 Ų | 74.2 | 65% | 0.653 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.8 | 172 | -65.6 | 83.7 | 0 | 0 | 0 | 109.3 | L572 | L572-H574 WeakPolarHBondContact CD2-CE1 3.34Å |
| 575 | L | 73 | Confident | 76.7 | Confident | 66 Ų | 66 | 75.6 Ų | 75.6 | 35% | 0.346 | 37% | 0.367 | S | S | . | . | trans | -84.5 | 157.8 | 175.7 | -65.3 | 172.8 | 0 | 0 | 0 | 110.5 | D577 G578 R579 Q581 | L575-D577 WeakPolarHBondContact CB-OD1 3.47Å; L575-D577 PolarHBondContact O-N 3.41Å; L575-D577 VanDerWaalsContact O-N 3.14Å; L575-G578 PolarHBondContact O-N 2.95Å; L575-G578 VanDerWaalsContact O-N 3.08Å; L575-R579 HydrophobicContact CB-CB 4.48Å; L575-R579 WeakPolarHBondContact CB-O 3.47Å; L575-R579 HydrophobicContact CD1-CB 4.2Å; L575-R579 PolarHBondContact N-O 3.19Å; L575-Q581 HydrophobicContact CD1-CB 4.24Å; L575-Q581 HydrophobicContact CG-CB 4.41Å | ||
| 576 | K | 61.9 | Low | 76.4 | Confident | 227 Ų | 227 | 78.1 Ų | 78.1 | 99% | 0.987 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.2 | -175.7 | -69 | -177.9 | 178 | 179.2 | 0 | 114.3 | ||
| 577 | D | 57.8 | Low | 76.3 | Confident | 89 Ų | 89 | 77 Ų | 77 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.5 | 176.7 | 56.9 | 13.7 | 0 | 0 | 0 | 112.7 | L575 R579 | L575-D577 WeakPolarHBondContact CB-OD1 3.47Å; L575-D577 PolarHBondContact O-N 3.41Å; L575-D577 VanDerWaalsContact O-N 3.14Å; D577-R579 VanDerWaalsContact C-N 3.32Å; D577-R579 WeakPolarHBondContact OD1-CB 3.5Å; D577-R579 PolarHBondContact OD1-N 3.4Å; D577-R579 IonicContact OD1-NE 2.73Å; D577-R579 IonicContact OD2-CZ 2.94Å; D577-R579 IonicContact OD2-NE 3.75Å; D577-R579 PolarHBondContact OD2-NE 3.08Å; D577-R579 IonicContact OD2-NH2 2.92Å; D577-R579 PolarHBondContact OD2-NH2 2.94Å |
| 578 | G | 54 | Low | 76.2 | Confident | 66 Ų | 66 | 76.6 Ų | 76.6 | 68% | 0.68 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 84.4 | -3.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | L575 | L575-G578 PolarHBondContact O-N 2.95Å; L575-G578 VanDerWaalsContact O-N 3.08Å |
| 579 | R | 66.4 | Low | 76.1 | Confident | 171 Ų | 171 | 77 Ų | 77 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | trans | -75.2 | 152.4 | 175.5 | -64.9 | -174.1 | -69.8 | -179.6 | -6 | 111.5 | L575 D577 | L575-R579 HydrophobicContact CB-CB 4.48Å; L575-R579 WeakPolarHBondContact CB-O 3.47Å; L575-R579 HydrophobicContact CD1-CB 4.2Å; L575-R579 PolarHBondContact N-O 3.19Å; D577-R579 VanDerWaalsContact C-N 3.32Å; D577-R579 WeakPolarHBondContact OD1-CB 3.5Å; D577-R579 PolarHBondContact OD1-N 3.4Å; D577-R579 IonicContact OD1-NE 2.73Å; D577-R579 IonicContact OD2-CZ 2.94Å; D577-R579 IonicContact OD2-NE 3.75Å; D577-R579 PolarHBondContact OD2-NE 3.08Å; D577-R579 IonicContact OD2-NH2 2.92Å; D577-R579 PolarHBondContact OD2-NH2 2.94Å | ||
| 580 | V | 71.7 | Confident | 75.9 | Confident | 72 Ų | 72 | 82 Ų | 82 | 44% | 0.436 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.7 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 109.2 | L572 | L572-V580 HydrophobicContact CD1-CG1 3.89Å; L572-V580 HydrophobicContact CD2-CG1 3.55Å; L572-V580 HydrophobicContact CG-CG1 3.51Å |
| 581 | Q | 76.2 | Confident | 75.6 | Confident | 94 Ų | 94 | 84.4 Ų | 84.4 | 44% | 0.439 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.3 | 175.5 | -172.5 | 177.3 | 20.1 | 0 | 0 | 109.8 | I573 L575 V583 | I573-Q581 HydrophobicContact CB-CB 4.49Å; I573-Q581 PolarHBondContact N-O 3.04Å; I573-Q581 PolarHBondContact O-N 3.5Å; L575-Q581 HydrophobicContact CD1-CB 4.24Å; L575-Q581 HydrophobicContact CG-CB 4.41Å; Q581-V583 HydrophobicContact CG-CG2 4.05Å |
| 582 | L | 81.9 | Confident | 75.3 | Confident | 31 Ų | 31 | 86.3 Ų | 86.3 | 16% | 0.162 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.6 | 171 | -65 | 167.9 | 0 | 0 | 0 | 109.5 | L565 V570 S571 L572 F601 M602 M605 | L565-L582 HydrophobicContact CD1-CD2 4.01Å; V570-L582 HydrophobicContact CG1-CB 4.39Å; V570-L582 HydrophobicContact CG1-CD2 4.08Å; S571-L582 WeakPolarHBondContact O-CA 3.34Å; L572-L582 HydrophobicContact CB-CD2 4.03Å; L572-L582 HydrophobicContact CD1-CD2 3.99Å; L572-L582 HydrophobicContact CG-CD2 3.97Å; L582-F601 HydrophobicContact CD1-CE1 3.99Å; L582-M602 HydrophobicContact CB-CE 3.82Å; L582-M602 HydrophobicContact CB-SD 3.55Å; L582-M602 VanDerWaalsContact CB-SD 3.55Å; L582-M602 HydrophobicContact CD1-SD 4.22Å; L582-M602 HydrophobicContact CG-SD 4.49Å; L582-M605 HydrophobicContact CD1-CE 4.16Å; L582-M605 HydrophobicContact CD1-CG 4.03Å |
| 583 | V | 81.3 | Confident | 75.1 | Confident | 36 Ų | 36 | 88.7 Ų | 88.7 | 22% | 0.218 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 122 | -179.6 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | S571 I573 Q581 | S571-V583 PolarHBondContact N-O 3.4Å; S571-V583 PolarHBondContact O-N 2.82Å; S571-V583 PolarHBondContact OG-O 3.48Å; I573-V583 HydrophobicContact CD1-CB 4.32Å; I573-V583 HydrophobicContact CD1-CG2 3.73Å; I573-V583 HydrophobicContact CG1-CG2 4.4Å; Q581-V583 HydrophobicContact CG-CG2 4.05Å |
| 584 | Q | 81.6 | Confident | 75 | Confident | 64 Ų | 64 | 85.8 Ų | 85.8 | 30% | 0.299 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.6 | 179.2 | -160.5 | -146.8 | 4.1 | 0 | 0 | 111.7 | V570 A595 M602 | V570-Q584 HydrophobicContact CG2-CG 4.22Å; Q584-A595 PolarHBondContact NE2-O 2.99Å; Q584-M602 HydrophobicContact CB-CG 4.37Å |
| 585 | H | 82.9 | Confident | 75.2 | Confident | 73 Ų | 73 | 79.7 Ų | 79.7 | 34% | 0.338 | 45% | 0.451 | S | S | . | . | trans | -129.7 | 88.4 | 171.1 | -63.8 | -40.2 | 0 | 0 | 0 | 108.7 | G569 T587 Q588 | G569-H585 PolarHBondContact O-N 2.87Å; H585-T587 PolarHBondContact O-N 3.12Å; H585-Q588 HydrophobicContact CB-CB 4.15Å; H585-Q588 HydrophobicContact CB-CG 3.79Å; H585-Q588 PolarHBondContact CD2-NE2 2.59Å; H585-Q588 WeakPolarHBondContact O-CB 3.47Å; H585-Q588 PolarHBondContact O-N 3.29Å | ||
| 586 | A | 77.5 | Confident | 75.5 | Confident | 55 Ų | 55 | 82.1 Ų | 82.1 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -54.8 | -28.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q588 A589 A595 | A586-Q588 PolarHBondContact O-N 3Å; A586-A589 PolarHBondContact O-N 2.98Å; A586-A595 HydrophobicContact CB-CB 4.11Å |
| 587 | T | 80.4 | Confident | 76.4 | Confident | 138 Ų | 138 | 73 Ų | 73 | 85% | 0.847 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -72.7 | -9 | 175.1 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | H585 | H585-T587 PolarHBondContact O-N 3.12Š|
| 588 | Q | 81.4 | Confident | 77.6 | Confident | 120 Ų | 120 | 68.8 Ų | 68.8 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -102.3 | -5.4 | 177.3 | -60.1 | -179.6 | 8.9 | 0 | 0 | 112.8 | H585 A586 | H585-Q588 HydrophobicContact CB-CB 4.15Å; H585-Q588 HydrophobicContact CB-CG 3.79Å; H585-Q588 PolarHBondContact CD2-NE2 2.59Å; H585-Q588 WeakPolarHBondContact O-CB 3.47Å; H585-Q588 PolarHBondContact O-N 3.29Å; A586-Q588 PolarHBondContact O-N 3Å |
| 589 | A | 83.8 | Confident | 78.8 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -71.5 | 152.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R567 A586 S591 A594 A595 | R567-A589 CarbonylContact O-C 3.57Å; R567-A589 VanDerWaalsContact O-CA 3.28Å; R567-A589 WeakPolarHBondContact O-CA 3.35Å; A586-A589 PolarHBondContact O-N 2.98Å; A589-S591 VanDerWaalsContact C-N 3.29Å; A589-S591 PolarHBondContact O-N 3.47Å; A589-A594 HydrophobicContact CB-CB 4.4Å; A589-A595 HydrophobicContact CB-CB 3.76Å |
| 590 | V | 81.2 | Confident | 79.4 | Confident | 107 Ų | 107 | 65.6 Ų | 65.6 | 65% | 0.648 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -76.2 | -12.7 | -178.4 | -64.1 | 0 | 0 | 0 | 0 | 114.3 | R567 A594 | R567-V590 HydrophobicContact CB-CG1 4.41Å; R567-V590 HydrophobicContact CB-CG2 4.12Å; R567-V590 HydrophobicContact CG-CG1 4.24Å; R567-V590 PolarHBondContact O-N 3.35Å; V590-A594 HydrophobicContact CG2-CB 4.05Å |
| 591 | S | 80.8 | Confident | 80 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -160 | 166.1 | 172.7 | 72.8 | 0 | 0 | 0 | 0 | 110.7 | A589 V593 A594 A595 | A589-S591 VanDerWaalsContact C-N 3.29Å; A589-S591 PolarHBondContact O-N 3.47Å; S591-V593 VanDerWaalsContact C-N 3.31Å; S591-V593 PolarHBondContact O-N 3.02Å; S591-A594 PolarHBondContact O-N 2.98Å; S591-A594 WeakPolarHBondContact OG-CB 3.5Å; S591-A594 PolarHBondContact OG-N 3.26Å; S591-A595 PolarHBondContact O-N 3.23Å |
| 592 | A | 74.3 | Confident | 80.3 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A594 A595 E596 | A592-A594 VanDerWaalsContact C-N 3.33Å; A592-A594 PolarHBondContact O-N 2.97Å; A592-A595 WeakPolarHBondContact O-CB 3.09Å; A592-A595 PolarHBondContact O-N 3.01Å; A592-A595 VanDerWaalsContact O-N 3.1Å; A592-E596 PolarHBondContact O-N 2.75Å |
| 593 | V | 75.2 | Confident | 80.2 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | S591 A595 E596 D597 | S591-V593 VanDerWaalsContact C-N 3.31Å; S591-V593 PolarHBondContact O-N 3.02Å; V593-A595 VanDerWaalsContact C-N 3.31Å; V593-A595 PolarHBondContact O-N 2.89Å; V593-E596 PolarHBondContact O-N 3.19Å; V593-D597 PolarHBondContact O-N 3.14Å |
| 594 | A | 77.3 | Confident | 80.1 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 11% | 0.107 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.9 | -32.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M568 A589 V590 S591 A592 G598 | M568-A594 WeakPolarHBondContact CA-O 3.44Å; M568-A594 VanDerWaalsContact CB-O 3.26Å; M568-A594 WeakPolarHBondContact CB-O 3.34Å; A589-A594 HydrophobicContact CB-CB 4.4Å; V590-A594 HydrophobicContact CG2-CB 4.05Å; S591-A594 PolarHBondContact O-N 2.98Å; S591-A594 WeakPolarHBondContact OG-CB 3.5Å; S591-A594 PolarHBondContact OG-N 3.26Å; A592-A594 VanDerWaalsContact C-N 3.33Å; A592-A594 PolarHBondContact O-N 2.97Å; A594-G598 PolarHBondContact O-N 3.4Å |
| 595 | A | 78.8 | Confident | 79.8 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q584 A586 A589 S591 A592 V593 G598 V599 | Q584-A595 PolarHBondContact NE2-O 2.99Å; A586-A595 HydrophobicContact CB-CB 4.11Å; A589-A595 HydrophobicContact CB-CB 3.76Å; S591-A595 PolarHBondContact O-N 3.23Å; A592-A595 WeakPolarHBondContact O-CB 3.09Å; A592-A595 PolarHBondContact O-N 3.01Å; A592-A595 VanDerWaalsContact O-N 3.1Å; V593-A595 VanDerWaalsContact C-N 3.31Å; V593-A595 PolarHBondContact O-N 2.89Å; A595-G598 CarbonylContact O-C 3.57Å; A595-G598 WeakPolarHBondContact O-CA 3.43Å; A595-G598 PolarHBondContact O-N 3.09Å; A595-V599 PolarHBondContact O-N 3.39Å |
| 596 | E | 78.5 | Confident | 79.2 | Confident | 117 Ų | 117 | 66.7 Ų | 66.7 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 174.9 | -72 | 175.1 | -169.7 | 0 | 0 | 112.3 | A592 V593 G598 V599 R600 | A592-E596 PolarHBondContact O-N 2.75Å; V593-E596 PolarHBondContact O-N 3.19Å; E596-G598 PolarHBondContact O-N 2.83Å; E596-V599 WeakPolarHBondContact O-CB 3.46Å; E596-V599 PolarHBondContact O-N 3.17Å; E596-V599 VanDerWaalsContact O-N 3.1Å; E596-R600 PolarHBondContact O-N 3.29Å |
| 597 | D | 81.1 | Confident | 78.9 | Confident | 36 Ų | 36 | 70 Ų | 70 | 19% | 0.193 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.3 | -33.5 | 172.7 | -73.2 | -22.3 | 0 | 0 | 0 | 111.2 | P548 M568 V593 R600 F601 | P548-D597 HydrophobicContact CB-CB 4.28Å; M568-D597 HydrophobicContact CG-CB 4.48Å; M568-D597 HydrophobicContact SD-CB 3.76Å; V593-D597 PolarHBondContact O-N 3.14Å; D597-R600 PolarHBondContact O-N 2.97Å; D597-R600 IonicContact OD1-CZ 2.73Å; D597-R600 IonicContact OD1-NH1 3.93Å; D597-R600 PolarHBondContact OD1-NH1 2.97Å; D597-R600 IonicContact OD1-NH2 2.72Å; D597-F601 WeakPolarHBondContact O-CB 3.46Å; D597-F601 PolarHBondContact O-N 3.41Å |
| 598 | G | 82.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A594 A595 E596 M602 | A594-G598 PolarHBondContact O-N 3.4Å; A595-G598 CarbonylContact O-C 3.57Å; A595-G598 WeakPolarHBondContact O-CA 3.43Å; A595-G598 PolarHBondContact O-N 3.09Å; E596-G598 PolarHBondContact O-N 2.83Å; G598-M602 WeakPolarHBondContact O-CG 3.49Å; G598-M602 PolarHBondContact O-N 3.2Å |
| 599 | V | 80.8 | Confident | 77.4 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -48 | 170 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | A595 E596 F601 M602 Q603 | A595-V599 PolarHBondContact O-N 3.39Å; E596-V599 WeakPolarHBondContact O-CB 3.46Å; E596-V599 PolarHBondContact O-N 3.17Å; E596-V599 VanDerWaalsContact O-N 3.1Å; V599-F601 VanDerWaalsContact C-N 3.34Å; V599-F601 PolarHBondContact O-N 3.39Å; V599-M602 WeakPolarHBondContact O-CB 3.26Å; V599-M602 PolarHBondContact O-N 3.19Å; V599-M602 VanDerWaalsContact O-N 3.12Å; V599-Q603 HydrophobicContact CG1-CG 4.38Å; V599-Q603 WeakPolarHBondContact O-CG 3.43Å; V599-Q603 PolarHBondContact O-N 3.38Å |
| 600 | R | 78.8 | Confident | 76.2 | Confident | 113 Ų | 113 | 64.9 Ų | 64.9 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | -177.6 | -164.2 | -179.2 | -54.4 | 109.3 | 11.1 | 111.8 | E596 D597 M602 Q603 E604 | E596-R600 PolarHBondContact O-N 3.29Å; D597-R600 PolarHBondContact O-N 2.97Å; D597-R600 IonicContact OD1-CZ 2.73Å; D597-R600 IonicContact OD1-NH1 3.93Å; D597-R600 PolarHBondContact OD1-NH1 2.97Å; D597-R600 IonicContact OD1-NH2 2.72Å; R600-M602 VanDerWaalsContact C-N 3.32Å; R600-M602 PolarHBondContact O-N 2.99Å; R600-Q603 PolarHBondContact O-N 3.1Å; R600-E604 WeakPolarHBondContact O-CG 3.26Å; R600-E604 PolarHBondContact O-N 2.81Å |
| 601 | F | 84.9 | Confident | 74.9 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 173.9 | -178.9 | -90 | 0 | 0 | 0 | 112.3 | L549 A551 F554 L565 M568 L582 D597 V599 M605 | L549-F601 HydrophobicContact CG-CE2 4.46Å; L549-F601 WeakPolarHBondContact O-CD2 3.49Å; A551-F601 HydrophobicContact CB-CE2 4.32Å; F554-F601 HydrophobicContact CB-CE2 3.94Å; F554-F601 HydrophobicContact CB-CZ 3.83Å; F554-F601 HydrophobicContact CD1-CZ 4.18Å; F554-F601 HydrophobicContact CD2-CE2 4.32Å; F554-F601 AromaticContact CD2-CZ 3.87Å; F554-F601 HydrophobicContact CD2-CZ 3.87Å; F554-F601 HydrophobicContact CG-CE2 4.21Å; F554-F601 AromaticContact CG-CZ 3.68Å; F554-F601 HydrophobicContact CG-CZ 3.68Å; L565-F601 HydrophobicContact CD1-CE1 4.2Å; L565-F601 HydrophobicContact CD1-CZ 4.4Å; L565-F601 HydrophobicContact CD2-CD1 3.63Å; L565-F601 HydrophobicContact CD2-CD2 4.1Å; L565-F601 HydrophobicContact CD2-CE1 3.45Å; L565-F601 VanDerWaalsContact CD2-CE1 3.45Å; L565-F601 HydrophobicContact CD2-CE2 3.92Å; L565-F601 HydrophobicContact CD2-CG 3.97Å; L565-F601 HydrophobicContact CD2-CZ 3.62Å; L565-F601 HydrophobicContact CG-CE1 4.49Å; M568-F601 HydrophobicContact CE-CB 4.27Å; M568-F601 HydrophobicContact CE-CD2 4.47Å; M568-F601 HydrophobicContact CE-CG 4.35Å; L582-F601 HydrophobicContact CD1-CE1 3.99Å; D597-F601 WeakPolarHBondContact O-CB 3.46Å; D597-F601 PolarHBondContact O-N 3.41Å; V599-F601 VanDerWaalsContact C-N 3.34Å; V599-F601 PolarHBondContact O-N 3.39Å; F601-M605 HydrophobicContact CD1-CG 4.11Å; F601-M605 HydrophobicContact CE1-CG 3.59Å; F601-M605 HydrophobicContact CE1-SD 4.33Å; F601-M605 HydrophobicContact CZ-CG 3.84Å; F601-M605 HydrophobicContact CZ-SD 4.04Å; F601-M605 WeakPolarHBondContact O-CB 3.2Å; F601-M605 WeakPolarHBondContact O-CG 3.28Å; F601-M605 PolarHBondContact O-N 3.08Å |
| 602 | M | 81.5 | Confident | 73.5 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 177 | -70.8 | -65.3 | -60.3 | 0 | 0 | 112.3 | V570 L582 Q584 G598 V599 R600 M605 M606 | V570-M602 HydrophobicContact CG1-SD 3.95Å; V570-M602 HydrophobicContact CG2-CG 4.23Å; L582-M602 HydrophobicContact CB-CE 3.82Å; L582-M602 HydrophobicContact CB-SD 3.55Å; L582-M602 VanDerWaalsContact CB-SD 3.55Å; L582-M602 HydrophobicContact CD1-SD 4.22Å; L582-M602 HydrophobicContact CG-SD 4.49Å; Q584-M602 HydrophobicContact CB-CG 4.37Å; G598-M602 WeakPolarHBondContact O-CG 3.49Å; G598-M602 PolarHBondContact O-N 3.2Å; V599-M602 WeakPolarHBondContact O-CB 3.26Å; V599-M602 PolarHBondContact O-N 3.19Å; V599-M602 VanDerWaalsContact O-N 3.12Å; R600-M602 VanDerWaalsContact C-N 3.32Å; R600-M602 PolarHBondContact O-N 2.99Å; M602-M605 PolarHBondContact O-N 2.96Å; M602-M606 WeakPolarHBondContact O-CG 3.39Å; M602-M606 PolarHBondContact O-N 2.91Å |
| 603 | Q | 79.1 | Confident | 72.2 | Confident | 114 Ų | 114 | 72.2 Ų | 72.2 | 53% | 0.533 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 175.9 | -70.8 | 175.9 | -46.5 | 0 | 0 | 111.7 | V599 R600 M605 M606 E607 | V599-Q603 HydrophobicContact CG1-CG 4.38Å; V599-Q603 WeakPolarHBondContact O-CG 3.43Å; V599-Q603 PolarHBondContact O-N 3.38Å; R600-Q603 PolarHBondContact O-N 3.1Å; Q603-M605 VanDerWaalsContact C-N 3.31Å; Q603-M605 PolarHBondContact O-N 3.47Å; Q603-M606 PolarHBondContact O-N 3.07Å; Q603-M606 VanDerWaalsContact O-N 3.09Å; Q603-E607 PolarHBondContact O-N 2.93Å |
| 604 | E | 79.3 | Confident | 70.6 | Confident | 50 Ų | 50 | 76.4 Ų | 76.4 | 23% | 0.234 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 175.7 | -68.3 | 178.1 | -174.7 | 0 | 0 | 111.8 | R550 A551 R600 M606 E607 L608 | R550-E604 WeakPolarHBondContact CA-OE2 3.01Å; R550-E604 WeakPolarHBondContact CB-OE2 3.44Å; A551-E604 HydrophobicContact CB-CB 3.41Å; A551-E604 VanDerWaalsContact CB-CB 3.41Å; A551-E604 PolarHBondContact N-OE2 2.87Å; R600-E604 WeakPolarHBondContact O-CG 3.26Å; R600-E604 PolarHBondContact O-N 2.81Å; E604-M606 VanDerWaalsContact C-N 3.34Å; E604-M606 PolarHBondContact O-N 3.14Å; E604-E607 PolarHBondContact O-N 2.88Å; E604-L608 WeakPolarHBondContact O-CB 3.5Å; E604-L608 VanDerWaalsContact O-CG 3.28Å; E604-L608 WeakPolarHBondContact O-CG 3.45Å; E604-L608 PolarHBondContact O-N 3.12Å |
| 605 | M | 76 | Confident | 68.9 | Low | 56 Ų | 56 | 83.3 Ų | 83.3 | 28% | 0.276 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 174.1 | -77.2 | -64.4 | -52.3 | 0 | 0 | 112.6 | A551 L582 F601 M602 Q603 S609 | A551-M605 HydrophobicContact CB-CB 4.37Å; A551-M605 HydrophobicContact CB-CG 3.67Å; A551-M605 HydrophobicContact CB-SD 3.65Å; L582-M605 HydrophobicContact CD1-CE 4.16Å; L582-M605 HydrophobicContact CD1-CG 4.03Å; F601-M605 HydrophobicContact CD1-CG 4.11Å; F601-M605 HydrophobicContact CE1-CG 3.59Å; F601-M605 HydrophobicContact CE1-SD 4.33Å; F601-M605 HydrophobicContact CZ-CG 3.84Å; F601-M605 HydrophobicContact CZ-SD 4.04Å; F601-M605 WeakPolarHBondContact O-CB 3.2Å; F601-M605 WeakPolarHBondContact O-CG 3.28Å; F601-M605 PolarHBondContact O-N 3.08Å; M602-M605 PolarHBondContact O-N 2.96Å; Q603-M605 VanDerWaalsContact C-N 3.31Å; Q603-M605 PolarHBondContact O-N 3.47Å; M605-S609 WeakPolarHBondContact O-CB 3.41Å; M605-S609 PolarHBondContact O-N 2.8Å; M605-S609 VanDerWaalsContact O-N 3.08Å |
| 606 | M | 71.1 | Confident | 67.7 | Low | 134 Ų | 134 | 87 Ų | 87 | 66% | 0.66 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -71 | -40.1 | 176.3 | -73.4 | 175 | 62.3 | 0 | 0 | 112.1 | M602 Q603 E604 S609 S610 | M602-M606 WeakPolarHBondContact O-CG 3.39Å; M602-M606 PolarHBondContact O-N 2.91Å; Q603-M606 PolarHBondContact O-N 3.07Å; Q603-M606 VanDerWaalsContact O-N 3.09Å; E604-M606 VanDerWaalsContact C-N 3.34Å; E604-M606 PolarHBondContact O-N 3.14Å; M606-S609 PolarHBondContact O-N 3.46Å; M606-S610 WeakPolarHBondContact O-CB 3.37Å; M606-S610 PolarHBondContact O-N 3.22Å |
| 607 | E | 70.9 | Confident | 66.8 | Low | 124 Ų | 124 | 85.2 Ų | 85.2 | 58% | 0.579 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 175.4 | -73 | -173.7 | 163 | 0 | 0 | 111.7 | Q603 E604 S609 S610 Q611 | Q603-E607 PolarHBondContact O-N 2.93Å; E604-E607 PolarHBondContact O-N 2.88Å; E607-S609 PolarHBondContact O-N 3.37Å; E607-S610 PolarHBondContact O-N 3.04Å; E607-S610 VanDerWaalsContact O-N 3.13Å; E607-Q611 WeakPolarHBondContact O-CB 3.49Å; E607-Q611 VanDerWaalsContact O-CG 3.32Å; E607-Q611 WeakPolarHBondContact O-CG 3.41Å; E607-Q611 PolarHBondContact O-N 2.85Å |
| 608 | L | 70.4 | Confident | 66.2 | Low | 47 Ų | 47 | 86.1 Ų | 86.1 | 25% | 0.246 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 175 | -70.6 | 168.1 | 0 | 0 | 0 | 111.9 | A551 Q552 E604 S610 Q611 Q612 | A551-L608 HydrophobicContact CB-CD1 3.66Å; Q552-L608 HydrophobicContact CG-CD1 3.84Å; Q552-L608 HydrophobicContact CG-CD2 4.04Å; Q552-L608 HydrophobicContact CG-CG 4.5Å; E604-L608 WeakPolarHBondContact O-CB 3.5Å; E604-L608 VanDerWaalsContact O-CG 3.28Å; E604-L608 WeakPolarHBondContact O-CG 3.45Å; E604-L608 PolarHBondContact O-N 3.12Å; L608-S610 VanDerWaalsContact C-N 3.25Å; L608-S610 PolarHBondContact O-N 3.48Å; L608-Q611 PolarHBondContact O-N 3.17Å; L608-Q612 WeakPolarHBondContact O-CG 3.4Å; L608-Q612 PolarHBondContact O-N 3.35Å |
| 609 | S | 60.5 | Low | 66.1 | Low | 68 Ų | 68 | 89.3 Ų | 89.3 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.8 | -30.2 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 113 | M605 M606 E607 Q613 | M605-S609 WeakPolarHBondContact O-CB 3.41Å; M605-S609 PolarHBondContact O-N 2.8Å; M605-S609 VanDerWaalsContact O-N 3.08Å; M606-S609 PolarHBondContact O-N 3.46Å; E607-S609 PolarHBondContact O-N 3.37Å; S609-Q613 WeakPolarHBondContact O-CG 3.2Å |
| 610 | S | 56.7 | Low | 66.5 | Low | 57 Ų | 57 | 87.3 Ų | 87.3 | 40% | 0.399 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -82.5 | -34.1 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | M606 E607 L608 Q613 K614 | M606-S610 WeakPolarHBondContact O-CB 3.37Å; M606-S610 PolarHBondContact O-N 3.22Å; E607-S610 PolarHBondContact O-N 3.04Å; E607-S610 VanDerWaalsContact O-N 3.13Å; L608-S610 VanDerWaalsContact C-N 3.25Å; L608-S610 PolarHBondContact O-N 3.48Å; S610-Q613 WeakPolarHBondContact O-CB 3.5Å; S610-Q613 PolarHBondContact O-N 2.8Å; S610-Q613 VanDerWaalsContact O-N 3.14Å; S610-K614 PolarHBondContact O-N 2.83Å |
| 611 | Q | 54.1 | Low | 67 | Low | 108 Ų | 108 | 82.2 Ų | 82.2 | 51% | 0.505 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 174.2 | -73.7 | 169.8 | 6.7 | 0 | 0 | 111.2 | E607 L608 Q613 K614 E615 | E607-Q611 WeakPolarHBondContact O-CB 3.49Å; E607-Q611 VanDerWaalsContact O-CG 3.32Å; E607-Q611 WeakPolarHBondContact O-CG 3.41Å; E607-Q611 PolarHBondContact O-N 2.85Å; L608-Q611 PolarHBondContact O-N 3.17Å; Q611-Q613 PolarHBondContact O-N 3.04Å; Q611-K614 PolarHBondContact O-N 2.91Å; Q611-E615 PolarHBondContact O-N 2.82Å |
| 612 | Q | 51.3 | Low | 67.4 | Low | 155 Ų | 155 | 82.1 Ų | 82.1 | 72% | 0.724 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.6 | 171.4 | -73.6 | -175.3 | -23.3 | 0 | 0 | 114 | L608 | L608-Q612 WeakPolarHBondContact O-CG 3.4Å; L608-Q612 PolarHBondContact O-N 3.35Å |
| 613 | Q | 47.6 | Very low | 67.9 | Low | 127 Ų | 127 | 80.7 Ų | 80.7 | 59% | 0.593 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -11.1 | 170.7 | -72.1 | 177.4 | -29.1 | 0 | 0 | 113.3 | S609 S610 Q611 | S609-Q613 WeakPolarHBondContact O-CG 3.2Å; S610-Q613 WeakPolarHBondContact O-CB 3.5Å; S610-Q613 PolarHBondContact O-N 2.8Å; S610-Q613 VanDerWaalsContact O-N 3.14Å; Q611-Q613 PolarHBondContact O-N 3.04Å |
| 614 | K | 41.6 | Very low | 68.5 | Low | 177 Ų | 177 | 75.3 Ų | 75.3 | 77% | 0.77 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -17.8 | 177.4 | -76 | -168.4 | 171.2 | -167.7 | 0 | 114.3 | S610 Q611 Q616 | S610-K614 PolarHBondContact O-N 2.83Å; Q611-K614 PolarHBondContact O-N 2.91Å; K614-Q616 PolarHBondContact O-N 2.99Å; K614-Q616 VanDerWaalsContact O-N 3.12Å |
| 615 | E | 42.5 | Very low | 69 | Low | 158 Ų | 158 | 74.4 Ų | 74.4 | 74% | 0.738 | 38% | 0.377 | S | S | * | . | trans | -80.6 | 25.4 | 172.6 | -62.7 | -175.8 | 144.7 | 0 | 0 | 112.8 | Q611 L617 Q722 | Q611-E615 PolarHBondContact O-N 2.82Å; E615-L617 PolarHBondContact O-N 3.38Å; E615-Q722 PolarHBondContact O-NE2 3.38Å; E615-Q722 VanDerWaalsContact O-NE2 3.15Å | ||
| 616 | Q | 53.8 | Low | 69.5 | Low | 90 Ų | 90 | 72.4 Ų | 72.4 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | trans | -82.3 | 96.4 | 175.3 | -66.4 | -150.6 | -57.2 | 0 | 0 | 111.2 | K614 L720 | K614-Q616 PolarHBondContact O-N 2.99Å; K614-Q616 VanDerWaalsContact O-N 3.12Å; Q616-L720 PolarHBondContact NE2-O 3.26Å | ||
| 617 | L | 57.8 | Low | 69.9 | Low | 80 Ų | 80 | 72 Ų | 72 | 42% | 0.419 | 37% | 0.366 | S | S | . | . | trans | -38.1 | 135.3 | 159.6 | -67.5 | 169.7 | 0 | 0 | 0 | 110.5 | E615 P639 | E615-L617 PolarHBondContact O-N 3.38Å; L617-P639 HydrophobicContact CB-CG 3.71Å; L617-P639 HydrophobicContact CD1-CG 4.28Å | ||
| 618 | P | 68.4 | Low | 70.3 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | trans | -63.4 | 156.4 | -172.4 | 22.3 | -30.9 | 0 | 0 | 0 | 112.9 | ||||
| 619 | P | 81.1 | Confident | 71 | Confident | 67 Ų | 67 | 68 Ų | 68 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | trans | -49.1 | 146 | 172.3 | 17.4 | -30.2 | 0 | 0 | 0 | 111.9 | T636 L720 | P619-T636 HydrophobicContact CB-CG2 3.87Å; P619-L720 HydrophobicContact CB-CD1 3.68Å; P619-L720 HydrophobicContact CG-CD1 4.21Å | ||
| 620 | R | 88.8 | Confident | 71.9 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 6% | 0.057 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 158.8 | 169.9 | -60.4 | -67.1 | -168.7 | -121.2 | 15.3 | 109.2 | A637 P639 D645 L738 D764 | R620-A637 PolarHBondContact N-O 2.97Å; R620-A637 PolarHBondContact O-N 3.22Å; R620-P639 HydrophobicContact CG-CB 3.89Å; R620-D645 IonicContact CZ-OD1 3.48Å; R620-D645 IonicContact NH2-OD1 3.41Å; R620-D645 PolarHBondContact NH2-OD1 3.28Å; R620-L738 HydrophobicContact CB-CD1 4.07Å; R620-L738 HydrophobicContact CB-CD2 3.57Å; R620-L738 HydrophobicContact CG-CD2 3.73Å; R620-D764 WeakPolarHBondContact CA-O 3.45Å; R620-D764 WeakPolarHBondContact CD-OD1 3.38Å; R620-D764 IonicContact CZ-OD1 2.83Å; R620-D764 IonicContact NE-OD1 3.1Å; R620-D764 IonicContact NH1-OD1 3.63Å; R620-D764 PolarHBondContact NH1-OD1 3.48Å; R620-D764 IonicContact NH2-OD1 3.41Å |
| 621 | A | 89.9 | Confident | 73.1 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V634 S763 D764 A766 | A621-V634 HydrophobicContact CB-CG1 4.29Å; A621-S763 PolarHBondContact N-O 3.47Å; A621-S763 PolarHBondContact O-N 2.85Å; A621-D764 PolarHBondContact N-O 2.77Å; A621-A766 HydrophobicContact CB-CB 4.28Å |
| 622 | I | 92.8 | Very high | 74.4 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 112.2 | 164.9 | -59.3 | 177.7 | 0 | 0 | 0 | 107.6 | L635 A637 I705 L738 L740 V760 L761 L762 | I622-L635 HydrophobicContact CB-CB 4.3Å; I622-L635 PolarHBondContact N-O 2.85Å; I622-L635 PolarHBondContact O-N 2.96Å; I622-A637 HydrophobicContact CD1-CB 3.94Å; I622-A637 HydrophobicContact CG1-CB 4.05Å; I622-I705 HydrophobicContact CD1-CD1 3.99Å; I622-I705 HydrophobicContact CD1-CG1 3.93Å; I622-I705 HydrophobicContact CD1-CG2 4.09Å; I622-I705 HydrophobicContact CG2-CD1 4.3Å; I622-L738 HydrophobicContact CD1-CB 4Å; I622-L738 HydrophobicContact CD1-CD1 3.99Å; I622-L738 HydrophobicContact CG1-CD1 3.64Å; I622-L740 HydrophobicContact CD1-CD1 4.07Å; I622-L740 HydrophobicContact CD1-CD2 4.07Å; I622-L740 HydrophobicContact CD1-CG 3.97Å; I622-V760 HydrophobicContact CG2-CB 4.05Å; I622-V760 HydrophobicContact CG2-CG1 4.27Å; I622-V760 HydrophobicContact CG2-CG2 4.38Å; I622-L761 WeakPolarHBondContact CA-O 3.32Å; I622-L762 HydrophobicContact CD1-CD2 4.16Å; I622-L762 HydrophobicContact CG1-CD2 3.87Å; I622-L762 HydrophobicContact CG2-CD2 4.16Å |
| 623 | Q | 92.8 | Very high | 76 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.7 | 177.5 | -66 | -176.3 | -89.2 | 0 | 0 | 110.6 | V625 G631 V633 V634 V760 L761 R767 | Q623-V625 HydrophobicContact CB-CG1 4.4Å; Q623-V625 PolarHBondContact O-N 2.83Å; Q623-G631 PolarHBondContact NE2-O 3.25Å; Q623-G631 VanDerWaalsContact NE2-O 3.12Å; Q623-V633 WeakPolarHBondContact CA-O 3.38Å; Q623-V634 HydrophobicContact CG-CG1 4.32Å; Q623-V634 HydrophobicContact CG-CG2 4.17Å; Q623-V760 CarbonylContact O-C 3.58Å; Q623-V760 WeakPolarHBondContact O-CA 3.13Å; Q623-L761 HydrophobicContact CB-CB 4.47Å; Q623-L761 PolarHBondContact N-O 3.45Å; Q623-L761 PolarHBondContact O-N 2.82Å; Q623-R767 PolarHBondContact NE2-O 3.48Å |
| 624 | I | 91.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 108.7 | 171.9 | -49.4 | -178.9 | 0 | 0 | 0 | 108.6 | F629 G631 V633 L748 A751 V758 V760 | I624-F629 HydrophobicContact CB-CB 3.97Å; I624-F629 HydrophobicContact CB-CD2 4.25Å; I624-F629 HydrophobicContact CB-CG 4.26Å; I624-F629 HydrophobicContact CG2-CB 3.98Å; I624-F629 HydrophobicContact CG2-CD2 3.55Å; I624-F629 HydrophobicContact CG2-CE2 4.39Å; I624-F629 HydrophobicContact CG2-CG 4.04Å; I624-F629 WeakPolarHBondContact O-CB 3.3Å; I624-G631 WeakPolarHBondContact O-CA 3.46Å; I624-G631 PolarHBondContact O-N 2.68Å; I624-V633 HydrophobicContact CB-CB 4.42Å; I624-V633 HydrophobicContact CD1-CB 4.28Å; I624-V633 HydrophobicContact CD1-CG1 3.83Å; I624-V633 HydrophobicContact CG1-CB 4.34Å; I624-V633 HydrophobicContact CG1-CG1 4.13Å; I624-V633 PolarHBondContact N-O 2.81Å; I624-L748 HydrophobicContact CD1-CD1 4.16Å; I624-L748 HydrophobicContact CG1-CD1 4.38Å; I624-A751 HydrophobicContact CD1-CB 4.24Å; I624-V758 HydrophobicContact CG2-CG1 3.84Å; I624-V760 HydrophobicContact CG1-CG1 4.27Å |
| 625 | V | 89.3 | Confident | 80.5 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | trans | -96 | -19.5 | -172 | -64.2 | 0 | 0 | 0 | 0 | 113.6 | Q623 F630 R654 E759 L761 | Q623-V625 HydrophobicContact CB-CG1 4.4Å; Q623-V625 PolarHBondContact O-N 2.83Å; V625-F630 WeakPolarHBondContact O-CA 3.35Å; V625-R654 HydrophobicContact CG2-CG 4.5Å; V625-E759 HydrophobicContact CG2-CB 3.89Å; V625-E759 HydrophobicContact CG2-CG 3.74Å; V625-E759 WeakPolarHBondContact CG2-O 3.18Å; V625-E759 WeakPolarHBondContact CG2-OE2 3.23Å; V625-E759 PolarHBondContact N-O 2.85Å; V625-L761 HydrophobicContact CG1-CB 4Å | ||
| 626 | S | 87.1 | Confident | 82.7 | Confident | 15 Ų | 15 | 50 Ų | 50 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -67.3 | 165.5 | 174.3 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | F629 F630 E759 | S626-F629 PolarHBondContact O-N 3.49Å; S626-F630 PolarHBondContact O-N 3.39Å; S626-E759 PolarHBondContact N-O 2.88Å; S626-E759 PolarHBondContact OG-N 2.94Å |
| 627 | H | 78.4 | Confident | 84.5 | Confident | 126 Ų | 126 | 45.8 Ų | 45.8 | 58% | 0.583 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 142.2 | 173.1 | -174.6 | 87.1 | 0 | 0 | 0 | 110.9 | F630 | H627-F630 HydrophobicContact CB-CE1 4.38Å; H627-F630 HydrophobicContact CB-CZ 4.1Å; H627-F630 AromaticContact ND1-CE2 3.32Å; H627-F630 VanDerWaalsContact ND1-CE2 3.32Å; H627-F630 WeakPolarHBondContact ND1-CE2 3.21Å; H627-F630 AromaticContact ND1-CZ 3.26Å; H627-F630 VanDerWaalsContact ND1-CZ 3.26Å; H627-F630 WeakPolarHBondContact ND1-CZ 3.28Å |
| 628 | P | 79.8 | Confident | 85.9 | Confident | 44 Ų | 44 | 42 Ų | 42 | 29% | 0.286 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -88.7 | 1.7 | -1.3 | 36.6 | -38.2 | 0 | 0 | 0 | 114.2 | F630 Y755 | P628-F630 VanDerWaalsContact O-CD2 3.28Å; P628-F630 WeakPolarHBondContact O-CD2 3.44Å; P628-Y755 HydrophobicContact CG-CE1 4.23Å; P628-Y755 HydrophobicContact CG-CE2 4.36Å |
| 629 | F | 84 | Confident | 86.9 | Confident | 42 Ų | 42 | 39.6 Ų | 39.6 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -38.4 | -166.1 | -55.8 | -70.2 | 0 | 0 | 0 | 113.7 | I624 S626 G631 R632 V633 A751 Y755 | I624-F629 HydrophobicContact CB-CB 3.97Å; I624-F629 HydrophobicContact CB-CD2 4.25Å; I624-F629 HydrophobicContact CB-CG 4.26Å; I624-F629 HydrophobicContact CG2-CB 3.98Å; I624-F629 HydrophobicContact CG2-CD2 3.55Å; I624-F629 HydrophobicContact CG2-CE2 4.39Å; I624-F629 HydrophobicContact CG2-CG 4.04Å; I624-F629 WeakPolarHBondContact O-CB 3.3Å; S626-F629 PolarHBondContact O-N 3.49Å; F629-G631 PolarHBondContact O-N 3.07Å; F629-G631 VanDerWaalsContact O-N 3.07Å; F629-R632 WeakPolarHBondContact O-CB 3.39Å; F629-R632 WeakPolarHBondContact O-CG 3.49Å; F629-R632 PolarHBondContact O-N 3.12Å; F629-V633 HydrophobicContact CB-CB 4.47Å; F629-V633 HydrophobicContact CB-CG2 4.3Å; F629-V633 HydrophobicContact CD1-CB 4.32Å; F629-V633 HydrophobicContact CD1-CG2 3.46Å; F629-V633 VanDerWaalsContact CD1-CG2 3.46Å; F629-V633 HydrophobicContact CE1-CG2 4.12Å; F629-V633 HydrophobicContact CG-CG2 4.16Å; F629-A751 HydrophobicContact CE2-CB 3.79Å; F629-A751 HydrophobicContact CZ-CB 4.14Å; F629-Y755 AromaticContact CE2-CD2 3.82Å; F629-Y755 HydrophobicContact CE2-CD2 3.82Å; F629-Y755 AromaticContact CE2-CE2 3.68Å; F629-Y755 HydrophobicContact CE2-CE2 3.68Å; F629-Y755 HydrophobicContact CZ-CD2 4.35Å; F629-Y755 AromaticContact CZ-CE2 3.79Å; F629-Y755 HydrophobicContact CZ-CE2 3.79Å |
| 630 | F | 81.4 | Confident | 87.2 | Confident | 85 Ų | 85 | 37.2 Ų | 37.2 | 37% | 0.373 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 33.2 | 170.2 | -66.6 | -59.7 | 0 | 0 | 0 | 115.5 | V625 S626 H627 P628 R769 | V625-F630 WeakPolarHBondContact O-CA 3.35Å; S626-F630 PolarHBondContact O-N 3.39Å; H627-F630 HydrophobicContact CB-CE1 4.38Å; H627-F630 HydrophobicContact CB-CZ 4.1Å; H627-F630 AromaticContact ND1-CE2 3.32Å; H627-F630 VanDerWaalsContact ND1-CE2 3.32Å; H627-F630 WeakPolarHBondContact ND1-CE2 3.21Å; H627-F630 AromaticContact ND1-CZ 3.26Å; H627-F630 VanDerWaalsContact ND1-CZ 3.26Å; H627-F630 WeakPolarHBondContact ND1-CZ 3.28Å; P628-F630 VanDerWaalsContact O-CD2 3.28Å; P628-F630 WeakPolarHBondContact O-CD2 3.44Å; F630-R769 PolarHBondContact O-NE 2.76Å; F630-R769 VanDerWaalsContact O-NE 3.14Å |
| 631 | G | 80.3 | Confident | 87.1 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -6.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q623 I624 F629 V633 | Q623-G631 PolarHBondContact NE2-O 3.25Å; Q623-G631 VanDerWaalsContact NE2-O 3.12Å; I624-G631 WeakPolarHBondContact O-CA 3.46Å; I624-G631 PolarHBondContact O-N 2.68Å; F629-G631 PolarHBondContact O-N 3.07Å; F629-G631 VanDerWaalsContact O-N 3.07Å; G631-V633 VanDerWaalsContact C-N 3.34Å; G631-V633 PolarHBondContact O-N 3.39Å |
| 632 | R | 81.8 | Confident | 86.8 | Confident | 208 Ų | 208 | 42.2 Ų | 42.2 | 79% | 0.785 | 21% | 0.212 | S | C | * | . | trans | -70.3 | -26.1 | -179 | -63.9 | 173.4 | 168.5 | 176.5 | -3.9 | 114 | F629 | F629-R632 WeakPolarHBondContact O-CB 3.39Å; F629-R632 WeakPolarHBondContact O-CG 3.49Å; F629-R632 PolarHBondContact O-N 3.12Å | ||
| 633 | V | 86.1 | Confident | 86.5 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 21% | 0.212 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 108.5 | 173.6 | 174.6 | 0 | 0 | 0 | 0 | 107.9 | Q623 I624 F629 G631 L635 I747 | Q623-V633 WeakPolarHBondContact CA-O 3.38Å; I624-V633 HydrophobicContact CB-CB 4.42Å; I624-V633 HydrophobicContact CD1-CB 4.28Å; I624-V633 HydrophobicContact CD1-CG1 3.83Å; I624-V633 HydrophobicContact CG1-CB 4.34Å; I624-V633 HydrophobicContact CG1-CG1 4.13Å; I624-V633 PolarHBondContact N-O 2.81Å; F629-V633 HydrophobicContact CB-CB 4.47Å; F629-V633 HydrophobicContact CB-CG2 4.3Å; F629-V633 HydrophobicContact CD1-CB 4.32Å; F629-V633 HydrophobicContact CD1-CG2 3.46Å; F629-V633 VanDerWaalsContact CD1-CG2 3.46Å; F629-V633 HydrophobicContact CE1-CG2 4.12Å; F629-V633 HydrophobicContact CG-CG2 4.16Å; G631-V633 VanDerWaalsContact C-N 3.34Å; G631-V633 PolarHBondContact O-N 3.39Å; V633-L635 HydrophobicContact CG1-CD2 3.95Å; V633-L635 HydrophobicContact CG1-CG 4.22Å; V633-I747 HydrophobicContact CG1-CG2 3.94Å |
| 634 | V | 90.7 | Very high | 86 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.3 | 174.5 | -170.4 | 0 | 0 | 0 | 0 | 107.8 | A621 Q623 A766 | A621-V634 HydrophobicContact CB-CG1 4.29Å; Q623-V634 HydrophobicContact CG-CG1 4.32Å; Q623-V634 HydrophobicContact CG-CG2 4.17Å; V634-A766 HydrophobicContact CG1-CB 3.73Å; V634-A766 HydrophobicContact CG2-CB 4.15Å |
| 635 | L | 91.3 | Very high | 85.4 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.2 | 176.8 | -54 | 174.5 | 0 | 0 | 0 | 109 | I622 V633 A637 L740 E744 I747 L748 | I622-L635 HydrophobicContact CB-CB 4.3Å; I622-L635 PolarHBondContact N-O 2.85Å; I622-L635 PolarHBondContact O-N 2.96Å; V633-L635 HydrophobicContact CG1-CD2 3.95Å; V633-L635 HydrophobicContact CG1-CG 4.22Å; L635-A637 PolarHBondContact O-N 3.03Å; L635-L740 HydrophobicContact CB-CD2 3.92Å; L635-L740 HydrophobicContact CD1-CD1 4.07Å; L635-E744 HydrophobicContact CD2-CB 4.39Å; L635-I747 HydrophobicContact CD2-CB 4.1Å; L635-I747 HydrophobicContact CD2-CD1 3.87Å; L635-I747 HydrophobicContact CD2-CG2 4.17Å; L635-L748 HydrophobicContact CD1-CB 4.12Å |
| 636 | T | 90.3 | Very high | 85 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123 | 178 | -49.7 | 0 | 0 | 0 | 0 | 110 | P619 L720 L740 | P619-T636 HydrophobicContact CB-CG2 3.87Å; T636-L720 HydrophobicContact CG2-CD1 4.18Å; T636-L720 HydrophobicContact CG2-CD2 4.07Å; T636-L740 WeakPolarHBondContact O-CD2 3.4Å |
| 637 | A | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R620 I622 L635 L738 F739 L740 | R620-A637 PolarHBondContact N-O 2.97Å; R620-A637 PolarHBondContact O-N 3.22Å; I622-A637 HydrophobicContact CD1-CB 3.94Å; I622-A637 HydrophobicContact CG1-CB 4.05Å; L635-A637 PolarHBondContact O-N 3.03Å; A637-L738 HydrophobicContact CB-CB 4.1Å; A637-L738 HydrophobicContact CB-CD1 4.23Å; A637-F739 CarbonylContact C-O 3.45Å; A637-F739 WeakPolarHBondContact CA-O 3.37Å; A637-F739 WeakPolarHBondContact CB-O 3.2Å; A637-L740 HydrophobicContact CB-CD2 3.94Å |
| 638 | G | 88.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F721 F739 | G638-F721 WeakPolarHBondContact CA-O 3.09Å; G638-F739 PolarHBondContact N-O 2.83Å; G638-F739 PolarHBondContact O-N 3.23Å |
| 639 | P | 88.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 157.1 | 178.6 | 28.5 | -32.5 | 0 | 0 | 0 | 113.3 | L617 R620 Q722 M723 | L617-P639 HydrophobicContact CB-CG 3.71Å; L617-P639 HydrophobicContact CD1-CG 4.28Å; R620-P639 HydrophobicContact CG-CB 3.89Å; P639-Q722 HydrophobicContact CG-CG 4.34Å; P639-Q722 WeakPolarHBondContact O-CA 3.45Å; P639-M723 PolarHBondContact O-N 3.21Å |
| 640 | A | 87.7 | Confident | 82.2 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 152.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F642 M723 L737 | A640-F642 HydrophobicContact CB-CD1 4.35Å; A640-F642 HydrophobicContact CB-CD2 4.28Å; A640-F642 HydrophobicContact CB-CE1 4.21Å; A640-F642 HydrophobicContact CB-CE2 4.13Å; A640-F642 HydrophobicContact CB-CG 4.38Å; A640-F642 HydrophobicContact CB-CZ 4.09Å; A640-F642 VanDerWaalsContact CB-O 3.26Å; A640-F642 WeakPolarHBondContact CB-O 3.44Å; A640-F642 PolarHBondContact O-N 3.07Å; A640-M723 HydrophobicContact CB-CB 4.21Å; A640-M723 HydrophobicContact CB-CE 4.18Å; A640-L737 HydrophobicContact CB-CB 4.17Å; A640-L737 WeakPolarHBondContact CB-O 3.32Å; A640-L737 PolarHBondContact N-O 2.88Å |
| 641 | Q | 85.4 | Confident | 81.7 | Confident | 111 Ų | 111 | 55 Ų | 55 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -84.3 | 8 | 169.2 | -63 | 179.6 | -18.6 | 0 | 0 | 112.6 | M723 | Q641-M723 PolarHBondContact N-O 3.29Š|
| 642 | F | 85.1 | Confident | 81.8 | Confident | 15 Ų | 15 | 54.9 Ų | 54.9 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -150 | 162.8 | -173.9 | 57.4 | -97 | 0 | 0 | 0 | 110 | A640 F689 A690 A693 M723 T730 I733 L737 | A640-F642 HydrophobicContact CB-CD1 4.35Å; A640-F642 HydrophobicContact CB-CD2 4.28Å; A640-F642 HydrophobicContact CB-CE1 4.21Å; A640-F642 HydrophobicContact CB-CE2 4.13Å; A640-F642 HydrophobicContact CB-CG 4.38Å; A640-F642 HydrophobicContact CB-CZ 4.09Å; A640-F642 VanDerWaalsContact CB-O 3.26Å; A640-F642 WeakPolarHBondContact CB-O 3.44Å; A640-F642 PolarHBondContact O-N 3.07Å; F642-F689 HydrophobicContact CE1-CB 4.3Å; F642-F689 HydrophobicContact CZ-CB 3.81Å; F642-A690 HydrophobicContact CD1-CB 4.49Å; F642-A690 HydrophobicContact CE1-CB 4.2Å; F642-A690 HydrophobicContact CE2-CB 4.38Å; F642-A690 HydrophobicContact CZ-CB 4.16Å; F642-A693 HydrophobicContact CE2-CB 3.91Å; F642-M723 HydrophobicContact CE1-CB 4.27Å; F642-M723 VanDerWaalsContact CE1-O 3.22Å; F642-M723 WeakPolarHBondContact CE1-O 3.43Å; F642-M723 HydrophobicContact CZ-CB 4.34Å; F642-T730 HydrophobicContact CB-CG2 4.13Å; F642-T730 HydrophobicContact CG-CG2 4.43Å; F642-I733 HydrophobicContact CD2-CB 4.41Å; F642-I733 HydrophobicContact CD2-CD1 3.82Å; F642-I733 HydrophobicContact CD2-CG2 3.98Å; F642-I733 HydrophobicContact CE2-CD1 4.27Å; F642-I733 HydrophobicContact CG-CD1 4.39Å; F642-L737 HydrophobicContact CE2-CB 4.44Å; F642-L737 HydrophobicContact CE2-CD2 4.02Å; F642-L737 HydrophobicContact CZ-CD2 4.05Å |
| 643 | G | 84.8 | Confident | 82.1 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 91.9 | -174.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D645 I733 L735 | G643-D645 PolarHBondContact O-N 3.38Å; G643-I733 WeakPolarHBondContact CA-O 3.45Å; G643-L735 WeakPolarHBondContact CA-O 3.02Å |
| 644 | T | 83.6 | Confident | 82.4 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | trans | -66.1 | 124.1 | 173.9 | -79.1 | 0 | 0 | 0 | 0 | 110.5 | L646 T734 L735 | T644-L646 PolarHBondContact O-N 2.73Å; T644-T734 VanDerWaalsContact CB-O 3.27Å; T644-T734 WeakPolarHBondContact CB-O 3.46Å; T644-T734 PolarHBondContact N-O 2.83Å; T644-T734 PolarHBondContact OG1-O 3.01Å; T644-L735 PolarHBondContact N-O 3.26Å | ||
| 645 | D | 79.3 | Confident | 82.4 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | trans | -76 | 108.6 | 175.6 | -179.1 | 6.3 | 0 | 0 | 0 | 111.1 | R620 G643 S647 K648 | R620-D645 IonicContact CZ-OD1 3.48Å; R620-D645 IonicContact NH2-OD1 3.41Å; R620-D645 PolarHBondContact NH2-OD1 3.28Å; G643-D645 PolarHBondContact O-N 3.38Å; D645-S647 PolarHBondContact O-N 2.98Å; D645-S647 VanDerWaalsContact O-N 3.15Å; D645-S647 PolarHBondContact OD1-N 3.05Å; D645-S647 VanDerWaalsContact OD1-N 3.09Å; D645-S647 PolarHBondContact OD1-OG 2.77Å; D645-S647 PolarHBondContact OD2-OG 2.69Å; D645-K648 HydrophobicContact CB-CG 4.47Å; D645-K648 PolarHBondContact O-N 3.3Å; D645-K648 IonicContact OD2-NZ 2.78Å; D645-K648 PolarHBondContact OD2-NZ 2.78Å | ||
| 646 | L | 81.1 | Confident | 82.5 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -61.5 | -21 | -178.1 | -66.8 | 175.6 | 0 | 0 | 0 | 113.9 | T644 K648 S649 V653 P736 L738 L762 | T644-L646 PolarHBondContact O-N 2.73Å; L646-K648 PolarHBondContact O-N 2.89Å; L646-S649 PolarHBondContact O-N 2.83Å; L646-V653 HydrophobicContact CD2-CG2 4.29Å; L646-P736 HydrophobicContact CD1-CB 4.28Å; L646-P736 HydrophobicContact CD2-CB 3.79Å; L646-P736 HydrophobicContact CD2-CG 4.15Å; L646-P736 HydrophobicContact CG-CB 3.97Å; L646-L738 HydrophobicContact CD1-CD1 3.95Å; L646-L738 HydrophobicContact CD1-CD2 4.15Å; L646-L738 HydrophobicContact CD1-CG 4.23Å; L646-L762 HydrophobicContact CD1-CB 4.02Å |
| 647 | S | 70.9 | Confident | 82.7 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -67 | -19.3 | 174.5 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | D645 D764 | D645-S647 PolarHBondContact O-N 2.98Å; D645-S647 VanDerWaalsContact O-N 3.15Å; D645-S647 PolarHBondContact OD1-N 3.05Å; D645-S647 VanDerWaalsContact OD1-N 3.09Å; D645-S647 PolarHBondContact OD1-OG 2.77Å; D645-S647 PolarHBondContact OD2-OG 2.69Å; S647-D764 VanDerWaalsContact CA-OD2 3.28Å; S647-D764 WeakPolarHBondContact CA-OD2 3.49Å; S647-D764 WeakPolarHBondContact CB-OD2 3.46Å |
| 648 | K | 69.6 | Low | 82.8 | Confident | 168 Ų | 168 | 52 Ų | 52 | 73% | 0.73 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -95.2 | 0.4 | 178.3 | -58 | -174 | 177.7 | 80.5 | 0 | 113.1 | D645 L646 | D645-K648 HydrophobicContact CB-CG 4.47Å; D645-K648 PolarHBondContact O-N 3.3Å; D645-K648 IonicContact OD2-NZ 2.78Å; D645-K648 PolarHBondContact OD2-NZ 2.78Å; L646-K648 PolarHBondContact O-N 2.89Å |
| 649 | S | 67.6 | Low | 83 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 24% | 0.238 | 30% | 0.304 | C | S | . | . | trans | -111.7 | 104.4 | 179.1 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | L646 T651 G652 | L646-S649 PolarHBondContact O-N 2.83Å; S649-T651 PolarHBondContact O-N 3.31Å; S649-T651 PolarHBondContact OG-OG1 3.35Å; S649-G652 PolarHBondContact O-N 3.44Å; S649-G652 PolarHBondContact OG-N 2.9Å; S649-G652 VanDerWaalsContact OG-N 3.08Å | ||
| 650 | S | 61.1 | Low | 83.2 | Confident | 107 Ų | 107 | 54.5 Ų | 54.5 | 75% | 0.748 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -64.1 | -17.4 | 175.7 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | R767 | S650-R767 PolarHBondContact O-NH2 2.89Š|
| 651 | T | 70.5 | Confident | 83.3 | Confident | 100 Ų | 100 | 58.9 Ų | 58.9 | 61% | 0.613 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -101.3 | -20.3 | 178.7 | 48.4 | 0 | 0 | 0 | 0 | 114 | S649 R767 | S649-T651 PolarHBondContact O-N 3.31Å; S649-T651 PolarHBondContact OG-OG1 3.35Å; T651-R767 PolarHBondContact O-NH1 3.44Å; T651-R767 PolarHBondContact O-NH2 3.16Å |
| 652 | G | 83.1 | Confident | 83.5 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 12% | 0.124 | 31% | 0.309 | C | S | . | . | trans | 71.9 | -165.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S649 L762 | S649-G652 PolarHBondContact O-N 3.44Å; S649-G652 PolarHBondContact OG-N 2.9Å; S649-G652 VanDerWaalsContact OG-N 3.08Å; G652-L762 WeakPolarHBondContact CA-O 3.41Å | ||
| 653 | V | 88.7 | Confident | 83.8 | Confident | 30 Ų | 30 | 58 Ų | 58 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 113.4 | 172 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | L646 I702 P736 L762 | L646-V653 HydrophobicContact CD2-CG2 4.29Å; V653-I702 HydrophobicContact CG1-CD1 4.23Å; V653-I702 HydrophobicContact CG1-CG1 4.44Å; V653-P736 HydrophobicContact CB-CG 4.28Å; V653-P736 HydrophobicContact CG2-CG 3.88Å; V653-L762 HydrophobicContact CB-CB 4.47Å; V653-L762 PolarHBondContact N-O 2.85Å; V653-L762 PolarHBondContact O-N 3.33Å |
| 654 | R | 91.1 | Very high | 83.8 | Confident | 155 Ų | 155 | 59 Ų | 59 | 59% | 0.585 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 140.2 | 178.9 | -178.8 | 176.7 | 172.5 | 174.4 | 0.3 | 110 | V625 E759 V760 L761 | V625-R654 HydrophobicContact CG2-CG 4.5Å; R654-E759 HydrophobicContact CG-CG 4.34Å; R654-E759 WeakPolarHBondContact CG-OE1 3.16Å; R654-E759 IonicContact CZ-OE1 2.76Å; R654-E759 IonicContact CZ-OE2 2.79Å; R654-E759 IonicContact NE-OE1 2.69Å; R654-E759 PolarHBondContact NE-OE1 3.01Å; R654-E759 IonicContact NE-OE2 2.75Å; R654-E759 PolarHBondContact NE-OE2 3.24Å; R654-E759 IonicContact NH2-OE1 3.4Å; R654-E759 PolarHBondContact NH2-OE1 3.19Å; R654-E759 IonicContact NH2-OE2 3.68Å; R654-E759 PolarHBondContact NH2-OE2 3.49Å; R654-V760 WeakPolarHBondContact CA-O 3.36Å; R654-L761 HydrophobicContact CB-CD1 4.13Å |
| 655 | G | 91.3 | Very high | 84 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | 169.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E759 V760 | G655-E759 WeakPolarHBondContact O-CA 3.32Å; G655-V760 PolarHBondContact N-O 3.09Å; G655-V760 PolarHBondContact O-N 3.14Å |
| 656 | F | 93.5 | Very high | 84.3 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 143.2 | 175.8 | -65.2 | -76.9 | 0 | 0 | 0 | 111.5 | H678 I679 E757 V758 E759 | F656-H678 WeakPolarHBondContact O-CB 3.45Å; F656-I679 PolarHBondContact O-N 3.25Å; F656-E757 HydrophobicContact CD1-CB 4.08Å; F656-E757 HydrophobicContact CE1-CB 3.94Å; F656-V758 WeakPolarHBondContact CA-O 3.4Å; F656-E759 HydrophobicContact CD1-CB 3.84Å; F656-E759 HydrophobicContact CD1-CG 4.24Å; F656-E759 HydrophobicContact CE1-CB 3.84Å; F656-E759 HydrophobicContact CE1-CG 4.26Å |
| 657 | V | 94.3 | Very high | 84.7 | Confident | 10 Ų | 10 | 57.8 Ų | 57.8 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.7 | -176.9 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | I679 L681 L752 V758 V760 | V657-I679 WeakPolarHBondContact CA-O 3.45Å; V657-I679 HydrophobicContact CG2-CB 4.44Å; V657-L681 HydrophobicContact CG1-CB 3.76Å; V657-L681 HydrophobicContact CG1-CD2 4.17Å; V657-L681 HydrophobicContact CG1-CG 4.41Å; V657-L752 HydrophobicContact CB-CD1 4.48Å; V657-L752 HydrophobicContact CB-CD2 4.38Å; V657-L752 HydrophobicContact CG1-CD1 3.94Å; V657-V758 PolarHBondContact N-O 3.26Å; V657-V760 HydrophobicContact CG2-CB 4.15Å; V657-V760 HydrophobicContact CG2-CG1 3.67Å; V657-V760 HydrophobicContact CG2-CG2 3.42Å; V657-V760 VanDerWaalsContact CG2-CG2 3.42Å |
| 658 | T | 93.3 | Very high | 85.5 | Confident | 27 Ų | 27 | 61 Ų | 61 | 17% | 0.166 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.4 | 175.6 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | A660 Y674 V675 H678 I679 A680 L681 | T658-A660 PolarHBondContact O-N 3.21Å; T658-Y674 WeakPolarHBondContact CG2-O 3.43Å; T658-Y674 PolarHBondContact OG1-O 3Å; T658-Y674 VanDerWaalsContact OG1-O 3.08Å; T658-V675 HydrophobicContact CG2-CG2 4.01Å; T658-H678 PolarHBondContact OG1-CD2 2.89Å; T658-I679 PolarHBondContact N-O 3.45Å; T658-A680 WeakPolarHBondContact O-CA 3.37Å; T658-L681 PolarHBondContact O-N 3.43Å |
| 659 | V | 93.1 | Very high | 86.7 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 35% | 0.352 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 121.7 | 171.6 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | Y663 N671 L681 | V659-Y663 HydrophobicContact CG1-CD2 3.62Å; V659-Y663 HydrophobicContact CG1-CE2 4.03Å; V659-Y663 HydrophobicContact CG1-CG 4.38Å; V659-N671 PolarHBondContact O-ND2 2.69Å; V659-L681 HydrophobicContact CG2-CD2 4.39Å |
| 660 | A | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -79.6 | 143.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T658 P662 Y663 I669 V675 A680 L681 L682 | T658-A660 PolarHBondContact O-N 3.21Å; A660-P662 CarbonylContact O-C 3.48Å; A660-P662 VanDerWaalsContact O-C 3.28Å; A660-Y663 WeakPolarHBondContact O-CA 3.38Å; A660-Y663 PolarHBondContact O-N 2.87Å; A660-Y663 VanDerWaalsContact O-N 3.17Å; A660-I669 HydrophobicContact CB-CD1 4.32Å; A660-I669 HydrophobicContact CB-CG2 4.25Å; A660-V675 HydrophobicContact CB-CG2 4.21Å; A660-A680 HydrophobicContact CB-CB 4.38Å; A660-L681 PolarHBondContact N-O 3.25Å; A660-L682 HydrophobicContact CB-CD2 3.85Å | ||
| 661 | E | 89.9 | Confident | 89.2 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -111.5 | 129 | 175.7 | -68.1 | -171.2 | 152.3 | 0 | 0 | 110.8 | I669 T670 N671 | E661-I669 CarbonylContact O-C 3.42Å; E661-I669 VanDerWaalsContact O-CA 3.23Å; E661-I669 WeakPolarHBondContact O-CA 3.11Å; E661-I669 WeakPolarHBondContact O-CG2 3.23Å; E661-T670 WeakPolarHBondContact CB-OG1 3.46Å; E661-T670 PolarHBondContact O-N 2.76Å; E661-T670 PolarHBondContact O-OG1 3.4Å; E661-N671 HydrophobicContact CB-CB 4.18Å; E661-N671 HydrophobicContact CG-CB 4.35Å; E661-N671 PolarHBondContact N-OD1 3.34Å |
| 662 | P | 90.9 | Very high | 90 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 29% | 0.292 | 27% | 0.272 | S | S | . | . | S | Bend | cis | -69.6 | 146.8 | -7 | 30.9 | -35.2 | 0 | 0 | 0 | 111.7 | A660 S664 G665 S667 | A660-P662 CarbonylContact O-C 3.48Å; A660-P662 VanDerWaalsContact O-C 3.28Å; P662-S664 PolarHBondContact O-N 2.62Å; P662-G665 PolarHBondContact O-N 3.12Å; P662-S667 VanDerWaalsContact CG-OG 3.3Å; P662-S667 WeakPolarHBondContact CG-OG 3.45Å |
| 663 | Y | 89.9 | Confident | 90.3 | Very high | 64 Ų | 64 | 57.8 Ų | 57.8 | 25% | 0.251 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.3 | -176.2 | -172.3 | -140.2 | 0 | 0 | 0 | 114.3 | V659 A660 G665 L681 Q683 | V659-Y663 HydrophobicContact CG1-CD2 3.62Å; V659-Y663 HydrophobicContact CG1-CE2 4.03Å; V659-Y663 HydrophobicContact CG1-CG 4.38Å; A660-Y663 WeakPolarHBondContact O-CA 3.38Å; A660-Y663 PolarHBondContact O-N 2.87Å; A660-Y663 VanDerWaalsContact O-N 3.17Å; Y663-G665 VanDerWaalsContact C-N 3.35Å; Y663-L681 HydrophobicContact CE2-CG 4.5Å; Y663-Q683 HydrophobicContact CD1-CB 3.75Å; Y663-Q683 HydrophobicContact CD1-CG 4.39Å; Y663-Q683 HydrophobicContact CD2-CB 4.44Å; Y663-Q683 HydrophobicContact CE1-CB 3.61Å; Y663-Q683 HydrophobicContact CE1-CG 3.92Å; Y663-Q683 HydrophobicContact CE2-CB 4.31Å; Y663-Q683 HydrophobicContact CG-CB 4.17Å; Y663-Q683 PolarHBondContact O-N 3.43Å |
| 664 | S | 86.4 | Confident | 90.2 | Very high | 45 Ų | 45 | 64 Ų | 64 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -17.3 | 173.8 | 64.7 | 0 | 0 | 0 | 0 | 114.6 | P662 C666 K692 | P662-S664 PolarHBondContact O-N 2.62Å; S664-C666 PolarHBondContact O-N 3.23Å; S664-C666 PolarHBondContact O-SG 3.32Å; S664-K692 PolarHBondContact O-NZ 2.88Å |
| 665 | G | 85.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | 61.4 | 10.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P662 Y663 S667 N695 | P662-G665 PolarHBondContact O-N 3.12Å; Y663-G665 VanDerWaalsContact C-N 3.35Å; G665-S667 PolarHBondContact O-N 2.96Å; G665-N695 PolarHBondContact O-ND2 3.1Å | ||
| 666 | C | 87 | Confident | 90.1 | Very high | 44 Ų | 44 | 62.6 Ų | 62.6 | 30% | 0.297 | 32% | 0.323 | S | S | . | . | trans | -84.5 | 9.4 | -173.7 | -57.5 | 0 | 0 | 0 | 0 | 114.3 | S664 C687 | S664-C666 PolarHBondContact O-N 3.23Å; S664-C666 PolarHBondContact O-SG 3.32Å; C666-C687 WeakPolarHBondContact CA-SG 3.43Å; C666-C687 HydrophobicContact CB-CB 3.59Å; C666-C687 WeakPolarHBondContact CB-SG 3.48Å; C666-C687 WeakPolarHBondContact SG-CB 3.46Å; C666-C687 CovalentContact SG-SG 2.03Å; C666-C687 PolarHBondContact SG-SG 2.84Å | ||
| 667 | S | 88.8 | Confident | 89.9 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -146.7 | 178.8 | 174.4 | 66.1 | 0 | 0 | 0 | 0 | 109.5 | P662 G665 N695 | P662-S667 VanDerWaalsContact CG-OG 3.3Å; P662-S667 WeakPolarHBondContact CG-OG 3.45Å; G665-S667 PolarHBondContact O-N 2.96Å; S667-N695 PolarHBondContact O-ND2 2.88Å |
| 668 | E | 88.9 | Confident | 89.9 | Confident | 125 Ų | 125 | 63 Ų | 63 | 58% | 0.584 | 34% | 0.337 | S | S | * | . | trans | -55.4 | 140.4 | 170.2 | -54.6 | -166.5 | 132.6 | 0 | 0 | 110.9 | K698 | E668-K698 IonicContact OE1-NZ 3.79Å; E668-K698 PolarHBondContact OE1-NZ 3.38Å | ||
| 669 | I | 92.9 | Very high | 90 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.087 | 33% | 0.329 | C | S | . | . | trans | -81.5 | 119.9 | -173.7 | -54.7 | -55.2 | 0 | 0 | 0 | 109.5 | A660 E661 N671 V675 N695 I696 A699 | A660-I669 HydrophobicContact CB-CD1 4.32Å; A660-I669 HydrophobicContact CB-CG2 4.25Å; E661-I669 CarbonylContact O-C 3.42Å; E661-I669 VanDerWaalsContact O-CA 3.23Å; E661-I669 WeakPolarHBondContact O-CA 3.11Å; E661-I669 WeakPolarHBondContact O-CG2 3.23Å; I669-N671 WeakPolarHBondContact CG2-OD1 3.09Å; I669-V675 HydrophobicContact CG2-CG2 4.16Å; I669-N695 HydrophobicContact CD1-CB 4.28Å; I669-N695 HydrophobicContact CG1-CB 4.29Å; I669-I696 HydrophobicContact CD1-CG2 4.16Å; I669-I696 HydrophobicContact CG1-CG2 4.15Å; I669-A699 HydrophobicContact CB-CB 3.93Å; I669-A699 HydrophobicContact CG1-CB 4.13Å; I669-A699 HydrophobicContact CG2-CB 4.25Å | ||
| 670 | T | 89.3 | Confident | 90.1 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 68% | 0.681 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -27.4 | -174.5 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | E661 | E661-T670 WeakPolarHBondContact CB-OG1 3.46Å; E661-T670 PolarHBondContact O-N 2.76Å; E661-T670 PolarHBondContact O-OG1 3.4Å |
| 671 | N | 92.2 | Very high | 90.2 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 32.7 | 178.5 | 72.2 | -24.1 | 0 | 0 | 0 | 113.2 | V659 E661 I669 E673 Y674 V675 | V659-N671 PolarHBondContact O-ND2 2.69Å; E661-N671 HydrophobicContact CB-CB 4.18Å; E661-N671 HydrophobicContact CG-CB 4.35Å; E661-N671 PolarHBondContact N-OD1 3.34Å; I669-N671 WeakPolarHBondContact CG2-OD1 3.09Å; N671-E673 PolarHBondContact O-N 3.15Å; N671-E673 VanDerWaalsContact O-N 3.09Å; N671-Y674 HydrophobicContact CB-CD2 4.27Å; N671-Y674 PolarHBondContact O-N 3.36Å; N671-V675 PolarHBondContact O-N 3.42Å; N671-V675 WeakPolarHBondContact OD1-CG2 3.32Å |
| 672 | A | 87.9 | Confident | 90.4 | Very high | 31 Ų | 31 | 53.7 Ų | 53.7 | 26% | 0.256 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -51.5 | -36.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y674 V675 Q676 A699 | A672-Y674 PolarHBondContact O-N 2.68Å; A672-Y674 VanDerWaalsContact O-N 3.17Å; A672-V675 PolarHBondContact O-N 3.33Å; A672-Q676 PolarHBondContact O-N 2.77Å; A672-A699 HydrophobicContact CB-CB 3.92Å |
| 673 | E | 89.6 | Confident | 90.5 | Very high | 172 Ų | 172 | 54.9 Ų | 54.9 | 80% | 0.804 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.6 | -26.1 | 176.7 | -62.3 | -178.9 | 168.4 | 0 | 0 | 113.9 | N671 | N671-E673 PolarHBondContact O-N 3.15Å; N671-E673 VanDerWaalsContact O-N 3.09Å |
| 674 | Y | 86.5 | Confident | 90.4 | Very high | 160 Ų | 160 | 55.9 Ų | 55.9 | 63% | 0.627 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -96.9 | -17.2 | 176.9 | -61 | -88 | 0 | 0 | 0 | 113.3 | T658 N671 A672 | T658-Y674 WeakPolarHBondContact CG2-O 3.43Å; T658-Y674 PolarHBondContact OG1-O 3Å; T658-Y674 VanDerWaalsContact OG1-O 3.08Å; N671-Y674 HydrophobicContact CB-CD2 4.27Å; N671-Y674 PolarHBondContact O-N 3.36Å; A672-Y674 PolarHBondContact O-N 2.68Å; A672-Y674 VanDerWaalsContact O-N 3.17Å |
| 675 | V | 89.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -91.9 | -23.9 | 179.3 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | T658 A660 I669 N671 A672 G677 H678 A680 A699 A701 | T658-V675 HydrophobicContact CG2-CG2 4.01Å; A660-V675 HydrophobicContact CB-CG2 4.21Å; I669-V675 HydrophobicContact CG2-CG2 4.16Å; N671-V675 PolarHBondContact O-N 3.42Å; N671-V675 WeakPolarHBondContact OD1-CG2 3.32Å; A672-V675 PolarHBondContact O-N 3.33Å; V675-G677 PolarHBondContact O-N 2.77Å; V675-H678 PolarHBondContact O-N 3.03Å; V675-A680 HydrophobicContact CG1-CB 4.01Å; V675-A699 HydrophobicContact CB-CB 4.48Å; V675-A699 HydrophobicContact CG1-CB 4.04Å; V675-A701 HydrophobicContact CG1-CB 3.82Å |
| 676 | Q | 91 | Very high | 89.7 | Confident | 133 Ų | 133 | 65.1 Ų | 65.1 | 62% | 0.621 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 128.2 | 175.6 | -173.8 | 172.4 | -5.9 | 0 | 0 | 111.2 | A672 H678 G700 | A672-Q676 PolarHBondContact O-N 2.77Å; Q676-H678 PolarHBondContact O-N 3.35Å; Q676-H678 PolarHBondContact O-ND1 2.84Å; Q676-G700 WeakPolarHBondContact CA-O 3.47Å |
| 677 | G | 88.5 | Confident | 89.5 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | -1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V675 G700 I702 | V675-G677 PolarHBondContact O-N 2.77Å; G677-G700 PolarHBondContact N-O 3.42Å; G677-I702 WeakPolarHBondContact O-CD1 3.32Å |
| 678 | H | 94 | Very high | 89.3 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -110 | 165.9 | -175.7 | -70 | 68.7 | 0 | 0 | 0 | 111.9 | F656 T658 V675 Q676 A701 I702 | F656-H678 WeakPolarHBondContact O-CB 3.45Å; T658-H678 PolarHBondContact OG1-CD2 2.89Å; V675-H678 PolarHBondContact O-N 3.03Å; Q676-H678 PolarHBondContact O-N 3.35Å; Q676-H678 PolarHBondContact O-ND1 2.84Å; H678-A701 WeakPolarHBondContact O-CA 3.33Å; H678-I702 WeakPolarHBondContact O-CG1 3.28Å; H678-I702 PolarHBondContact O-N 3Å |
| 679 | I | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 116.3 | 170.9 | -65.8 | 172.3 | 0 | 0 | 0 | 107.9 | F656 V657 T658 L681 I702 G703 I705 V760 L762 | F656-I679 PolarHBondContact O-N 3.25Å; V657-I679 WeakPolarHBondContact CA-O 3.45Å; V657-I679 HydrophobicContact CG2-CB 4.44Å; T658-I679 PolarHBondContact N-O 3.45Å; I679-L681 PolarHBondContact O-N 2.88Å; I679-I702 HydrophobicContact CG1-CD1 4.23Å; I679-I702 HydrophobicContact CG1-CG1 4.03Å; I679-G703 WeakPolarHBondContact CA-O 3.32Å; I679-I705 HydrophobicContact CG2-CD1 3.87Å; I679-I705 HydrophobicContact CG2-CG1 3.9Å; I679-V760 HydrophobicContact CD1-CG2 3.61Å; I679-L762 HydrophobicContact CD1-CD1 4.07Å; I679-L762 HydrophobicContact CD1-CD2 4.33Å; I679-L762 HydrophobicContact CD1-CG 3.95Å; I679-L762 HydrophobicContact CG1-CD1 4.49Å; I679-L762 HydrophobicContact CG2-CD1 4.3Å |
| 680 | A | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T658 A660 V675 I696 A701 G703 G704 I705 | T658-A680 WeakPolarHBondContact O-CA 3.37Å; A660-A680 HydrophobicContact CB-CB 4.38Å; V675-A680 HydrophobicContact CG1-CB 4.01Å; A680-I696 HydrophobicContact CB-CB 3.95Å; A680-I696 HydrophobicContact CB-CD1 3.84Å; A680-I696 HydrophobicContact CB-CG1 4.5Å; A680-I696 HydrophobicContact CB-CG2 3.7Å; A680-A701 HydrophobicContact CB-CB 4.06Å; A680-G703 PolarHBondContact N-O 2.98Å; A680-G704 CarbonylContact O-C 3.52Å; A680-G704 VanDerWaalsContact O-CA 3.24Å; A680-G704 WeakPolarHBondContact O-CA 3.44Å; A680-I705 PolarHBondContact O-N 3.3Å |
| 681 | L | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 128.7 | 172.7 | -166.4 | 61.8 | 0 | 0 | 0 | 110.9 | V657 T658 V659 A660 Y663 I679 I705 I707 L748 L749 L752 | V657-L681 HydrophobicContact CG1-CB 3.76Å; V657-L681 HydrophobicContact CG1-CD2 4.17Å; V657-L681 HydrophobicContact CG1-CG 4.41Å; T658-L681 PolarHBondContact O-N 3.43Å; V659-L681 HydrophobicContact CG2-CD2 4.39Å; A660-L681 PolarHBondContact N-O 3.25Å; Y663-L681 HydrophobicContact CE2-CG 4.5Å; I679-L681 PolarHBondContact O-N 2.88Å; L681-I705 HydrophobicContact CD1-CB 3.65Å; L681-I705 HydrophobicContact CD1-CG2 3.63Å; L681-I707 HydrophobicContact CD1-CD1 3.77Å; L681-I707 HydrophobicContact CD1-CG1 4.01Å; L681-I707 HydrophobicContact CD2-CD1 4.15Å; L681-I707 HydrophobicContact CG-CD1 4.2Å; L681-L748 HydrophobicContact CD1-CD2 3.97Å; L681-L748 HydrophobicContact CD2-CD2 4.41Å; L681-L749 HydrophobicContact CD2-CD2 3.61Å; L681-L749 HydrophobicContact CD2-CG 4.34Å; L681-L752 HydrophobicContact CD2-CD1 3.54Å |
| 682 | L | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 158.5 | -170.8 | -70.9 | 167.5 | 0 | 0 | 0 | 110.9 | A660 K692 I696 I705 V706 I707 | A660-L682 HydrophobicContact CB-CD2 3.85Å; L682-K692 HydrophobicContact CD1-CB 4.1Å; L682-I696 HydrophobicContact CD1-CD1 4.2Å; L682-I696 HydrophobicContact CD1-CG2 3.95Å; L682-I696 HydrophobicContact CD2-CG2 4.34Å; L682-I696 HydrophobicContact CG-CG2 4.45Å; L682-I705 PolarHBondContact N-O 3.47Å; L682-V706 HydrophobicContact CB-CG2 4.24Å; L682-V706 HydrophobicContact CD1-CG2 4.29Å; L682-V706 CarbonylContact O-C 3.53Å; L682-V706 WeakPolarHBondContact O-CA 3.26Å; L682-I707 PolarHBondContact O-N 3.4Å |
| 683 | Q | 92.7 | Very high | 89.1 | Confident | 70 Ų | 70 | 56 Ų | 56 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 151.7 | 166.7 | -150.5 | 174.7 | 10.3 | 0 | 0 | 111.6 | Y663 K692 I707 D709 | Y663-Q683 HydrophobicContact CD1-CB 3.75Å; Y663-Q683 HydrophobicContact CD1-CG 4.39Å; Y663-Q683 HydrophobicContact CD2-CB 4.44Å; Y663-Q683 HydrophobicContact CE1-CB 3.61Å; Y663-Q683 HydrophobicContact CE1-CG 3.92Å; Y663-Q683 HydrophobicContact CE2-CB 4.31Å; Y663-Q683 HydrophobicContact CG-CB 4.17Å; Y663-Q683 PolarHBondContact O-N 3.43Å; Q683-K692 PolarHBondContact O-NZ 3.32Å; Q683-I707 CarbonylContact C-O 3.36Å; Q683-I707 WeakPolarHBondContact CA-O 3.46Å; Q683-D709 HydrophobicContact CG-CB 4.3Å |
| 684 | R | 87.9 | Confident | 89.2 | Confident | 84 Ų | 84 | 50.2 Ų | 50.2 | 32% | 0.317 | 24% | 0.244 | S | C | . | . | trans | -56.5 | 154 | 157.7 | -171.7 | 171.8 | 177 | -166.7 | -0.6 | 110 | F689 V706 I707 D708 D709 | R684-F689 HydrophobicContact CG-CE1 4.45Å; R684-F689 HydrophobicContact CG-CZ 4.29Å; R684-V706 HydrophobicContact CB-CG1 4.49Å; R684-I707 WeakPolarHBondContact CB-O 3.16Å; R684-I707 PolarHBondContact N-O 2.98Å; R684-D708 WeakPolarHBondContact CD-OD1 3.46Å; R684-D708 IonicContact CZ-OD1 2.67Å; R684-D708 IonicContact NE-OD1 3.6Å; R684-D708 IonicContact NH1-OD1 3.78Å; R684-D708 PolarHBondContact NH1-OD1 2.92Å; R684-D709 HydrophobicContact CB-CB 4.17Å; R684-D709 VanDerWaalsContact CD-OD1 3.23Å; R684-D709 WeakPolarHBondContact CD-OD1 3.27Å; R684-D709 WeakPolarHBondContact CG-OD1 3.34Å; R684-D709 IonicContact NE-OD1 3.89Å | ||
| 685 | G | 80.1 | Confident | 89.5 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | trans | 179.4 | -164.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C687 | G685-C687 VanDerWaalsContact C-N 3.3Å; G685-C687 PolarHBondContact O-N 3.23Å | ||
| 686 | Q | 76.3 | Confident | 89.7 | Confident | 211 Ų | 211 | 43.9 Ų | 43.9 | 99% | 0.986 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -77 | -5.7 | -168 | -61.7 | -176.8 | -4.6 | 0 | 0 | 115.7 | ||
| 687 | C | 82.9 | Confident | 89.8 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 10% | 0.101 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -101.5 | 157.4 | 175.9 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | C666 G685 E691 | C666-C687 WeakPolarHBondContact CA-SG 3.43Å; C666-C687 HydrophobicContact CB-CB 3.59Å; C666-C687 WeakPolarHBondContact CB-SG 3.48Å; C666-C687 WeakPolarHBondContact SG-CB 3.46Å; C666-C687 CovalentContact SG-SG 2.03Å; C666-C687 PolarHBondContact SG-SG 2.84Å; G685-C687 VanDerWaalsContact C-N 3.3Å; G685-C687 PolarHBondContact O-N 3.23Å; C687-E691 WeakPolarHBondContact CB-OE2 3.28Å |
| 688 | M | 85.4 | Confident | 89.9 | Confident | 92 Ų | 92 | 45.5 Ų | 45.5 | 45% | 0.453 | 22% | 0.215 | S | C | . | . | trans | -70.9 | 150.3 | -178.1 | -61.6 | -61.8 | -76.1 | 0 | 0 | 112 | A690 E691 K692 G725 D726 | M688-A690 VanDerWaalsContact C-N 3.34Å; M688-A690 PolarHBondContact O-N 3.42Å; M688-E691 WeakPolarHBondContact O-CB 3.32Å; M688-E691 PolarHBondContact O-N 2.97Å; M688-K692 PolarHBondContact O-N 2.77Å; M688-G725 VanDerWaalsContact CE-O 3.32Å; M688-G725 WeakPolarHBondContact CE-O 3.21Å; M688-D726 HydrophobicContact CB-CB 3.86Å; M688-D726 HydrophobicContact CG-CB 4.05Å | ||
| 689 | F | 89.1 | Confident | 89.8 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -36.5 | -177.2 | -59.5 | -82.3 | 0 | 0 | 0 | 113.3 | F642 R684 E691 K692 A693 V706 F721 M723 L737 F739 | F642-F689 HydrophobicContact CE1-CB 4.3Å; F642-F689 HydrophobicContact CZ-CB 3.81Å; R684-F689 HydrophobicContact CG-CE1 4.45Å; R684-F689 HydrophobicContact CG-CZ 4.29Å; F689-E691 VanDerWaalsContact C-N 3.27Å; F689-E691 PolarHBondContact O-N 3.1Å; F689-K692 HydrophobicContact CD1-CD 4.32Å; F689-K692 WeakPolarHBondContact O-CB 3.49Å; F689-K692 PolarHBondContact O-N 2.94Å; F689-A693 PolarHBondContact O-N 3.21Å; F689-V706 HydrophobicContact CD1-CG1 4.14Å; F689-V706 HydrophobicContact CD1-CG2 4.44Å; F689-V706 HydrophobicContact CE1-CG1 3.93Å; F689-F721 HydrophobicContact CD2-CE1 4.41Å; F689-F721 HydrophobicContact CE1-CE1 4.47Å; F689-F721 AromaticContact CE2-CE1 3.53Å; F689-F721 HydrophobicContact CE2-CE1 3.53Å; F689-F721 AromaticContact CE2-CZ 3.73Å; F689-F721 HydrophobicContact CE2-CZ 3.73Å; F689-F721 AromaticContact CZ-CE1 3.55Å; F689-F721 HydrophobicContact CZ-CE1 3.55Å; F689-F721 HydrophobicContact CZ-CZ 4.07Å; F689-M723 HydrophobicContact CB-CB 3.89Å; F689-M723 HydrophobicContact CB-CG 4.13Å; F689-M723 HydrophobicContact CB-SD 4.07Å; F689-M723 HydrophobicContact CD1-CB 4.34Å; F689-M723 HydrophobicContact CD1-CG 3.64Å; F689-M723 HydrophobicContact CD1-SD 3.31Å; F689-M723 WeakPolarHBondContact CD1-SD 3.32Å; F689-M723 HydrophobicContact CD2-CB 4.07Å; F689-M723 HydrophobicContact CD2-CG 3.99Å; F689-M723 HydrophobicContact CE1-CG 3.95Å; F689-M723 HydrophobicContact CE1-SD 3.85Å; F689-M723 HydrophobicContact CE2-CG 4.3Å; F689-M723 HydrophobicContact CG-CB 3.85Å; F689-M723 HydrophobicContact CG-CG 3.65Å; F689-M723 HydrophobicContact CG-SD 3.79Å; F689-M723 HydrophobicContact CZ-CG 4.27Å; F689-L737 HydrophobicContact CB-CD2 4.42Å; F689-F739 HydrophobicContact CE1-CD2 4.18Å; F689-F739 HydrophobicContact CE1-CE2 4.22Å; F689-F739 HydrophobicContact CZ-CE2 4.37Å |
| 690 | A | 86.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -29.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F642 M688 R694 D726 T730 I733 | F642-A690 HydrophobicContact CD1-CB 4.49Å; F642-A690 HydrophobicContact CE1-CB 4.2Å; F642-A690 HydrophobicContact CE2-CB 4.38Å; F642-A690 HydrophobicContact CZ-CB 4.16Å; M688-A690 VanDerWaalsContact C-N 3.34Å; M688-A690 PolarHBondContact O-N 3.42Å; A690-R694 WeakPolarHBondContact O-CG 3.38Å; A690-R694 PolarHBondContact O-N 2.84Å; A690-R694 VanDerWaalsContact O-N 3.13Å; A690-D726 HydrophobicContact CB-CB 4.2Å; A690-T730 HydrophobicContact CB-CG2 4.22Å; A690-I733 HydrophobicContact CB-CD1 3.68Å |
| 691 | E | 88.2 | Confident | 89.5 | Confident | 88 Ų | 88 | 45.2 Ų | 45.2 | 41% | 0.411 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.6 | -44.4 | 175.1 | -173.2 | 171.7 | -154.7 | 0 | 0 | 111 | C687 M688 F689 A693 R694 N695 | C687-E691 WeakPolarHBondContact CB-OE2 3.28Å; M688-E691 WeakPolarHBondContact O-CB 3.32Å; M688-E691 PolarHBondContact O-N 2.97Å; F689-E691 VanDerWaalsContact C-N 3.27Å; F689-E691 PolarHBondContact O-N 3.1Å; E691-A693 VanDerWaalsContact C-N 3.31Å; E691-A693 PolarHBondContact O-N 2.73Å; E691-R694 PolarHBondContact O-N 2.92Å; E691-N695 PolarHBondContact O-N 2.99Å; E691-N695 VanDerWaalsContact O-N 3.11Å; E691-N695 PolarHBondContact O-ND2 2.91Å |
| 692 | K | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.2 | -46.1 | 171.9 | -58.6 | 171.3 | -170.9 | -83.1 | 0 | 111.3 | S664 L682 Q683 M688 F689 N695 I696 V706 | S664-K692 PolarHBondContact O-NZ 2.88Å; L682-K692 HydrophobicContact CD1-CB 4.1Å; Q683-K692 PolarHBondContact O-NZ 3.32Å; M688-K692 PolarHBondContact O-N 2.77Å; F689-K692 HydrophobicContact CD1-CD 4.32Å; F689-K692 WeakPolarHBondContact O-CB 3.49Å; F689-K692 PolarHBondContact O-N 2.94Å; K692-N695 PolarHBondContact O-N 2.83Å; K692-I696 PolarHBondContact O-N 2.79Å; K692-V706 HydrophobicContact CD-CG1 4.46Å |
| 693 | A | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F642 F689 E691 N695 I696 Q697 I733 L735 L737 | F642-A693 HydrophobicContact CE2-CB 3.91Å; F689-A693 PolarHBondContact O-N 3.21Å; E691-A693 VanDerWaalsContact C-N 3.31Å; E691-A693 PolarHBondContact O-N 2.73Å; A693-N695 VanDerWaalsContact C-N 3.29Å; A693-N695 PolarHBondContact O-N 2.88Å; A693-I696 VanDerWaalsContact O-CG1 3.3Å; A693-I696 WeakPolarHBondContact O-CG1 3.37Å; A693-I696 PolarHBondContact O-N 3.23Å; A693-Q697 VanDerWaalsContact O-CB 3.31Å; A693-Q697 WeakPolarHBondContact O-CB 3.33Å; A693-Q697 PolarHBondContact O-N 3.4Å; A693-I733 HydrophobicContact CB-CD1 4.2Å; A693-I733 HydrophobicContact CB-CG2 3.81Å; A693-L735 HydrophobicContact CB-CD1 4.36Å; A693-L737 HydrophobicContact CB-CD2 4.33Å |
| 694 | R | 91.9 | Very high | 89.5 | Confident | 51 Ų | 51 | 45 Ų | 45 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -40.1 | 175.3 | -71.8 | 168.3 | 177.1 | 127.7 | 4.9 | 112.5 | A690 E691 Q697 K698 D726 S729 D732 I733 | A690-R694 WeakPolarHBondContact O-CG 3.38Å; A690-R694 PolarHBondContact O-N 2.84Å; A690-R694 VanDerWaalsContact O-N 3.13Å; E691-R694 PolarHBondContact O-N 2.92Å; R694-Q697 PolarHBondContact O-N 2.84Å; R694-K698 WeakPolarHBondContact O-CB 3.39Å; R694-K698 PolarHBondContact O-N 2.85Å; R694-D726 IonicContact CZ-OD1 3.68Å; R694-D726 IonicContact NH1-OD1 2.6Å; R694-D726 PolarHBondContact NH1-OD1 3.11Å; R694-D726 IonicContact NH1-OD2 3.12Å; R694-D726 PolarHBondContact NH1-OD2 3.33Å; R694-D726 IonicContact NH2-OD1 3.04Å; R694-S729 PolarHBondContact NH2-O 3.04Å; R694-D732 IonicContact CZ-OD1 3.43Å; R694-D732 IonicContact CZ-OD2 2.71Å; R694-D732 IonicContact NE-OD1 3.26Å; R694-D732 PolarHBondContact NE-OD1 2.97Å; R694-D732 IonicContact NE-OD2 3.19Å; R694-D732 PolarHBondContact NE-OD2 3.31Å; R694-D732 IonicContact NH2-OD1 3.05Å; R694-D732 PolarHBondContact NH2-OD1 2.94Å; R694-D732 IonicContact NH2-OD2 3.37Å; R694-I733 HydrophobicContact CG-CD1 4.16Å; R694-I733 HydrophobicContact CG-CG1 3.9Å |
| 695 | N | 91.8 | Very high | 89.8 | Confident | 27 Ų | 27 | 41 Ų | 41 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -43.4 | 179.5 | -69 | -26.9 | 0 | 0 | 0 | 112.4 | G665 S667 I669 E691 K692 A693 A699 | G665-N695 PolarHBondContact O-ND2 3.1Å; S667-N695 PolarHBondContact O-ND2 2.88Å; I669-N695 HydrophobicContact CD1-CB 4.28Å; I669-N695 HydrophobicContact CG1-CB 4.29Å; E691-N695 PolarHBondContact O-N 2.99Å; E691-N695 VanDerWaalsContact O-N 3.11Å; E691-N695 PolarHBondContact O-ND2 2.91Å; K692-N695 PolarHBondContact O-N 2.83Å; A693-N695 VanDerWaalsContact C-N 3.29Å; A693-N695 PolarHBondContact O-N 2.88Å; N695-A699 PolarHBondContact O-N 2.77Å |
| 696 | I | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.5 | -30.1 | 175.9 | 63.5 | 167.5 | 0 | 0 | 0 | 112.8 | I669 A680 L682 K692 A693 K698 A699 G700 A701 L735 L737 | I669-I696 HydrophobicContact CD1-CG2 4.16Å; I669-I696 HydrophobicContact CG1-CG2 4.15Å; A680-I696 HydrophobicContact CB-CB 3.95Å; A680-I696 HydrophobicContact CB-CD1 3.84Å; A680-I696 HydrophobicContact CB-CG1 4.5Å; A680-I696 HydrophobicContact CB-CG2 3.7Å; L682-I696 HydrophobicContact CD1-CD1 4.2Å; L682-I696 HydrophobicContact CD1-CG2 3.95Å; L682-I696 HydrophobicContact CD2-CG2 4.34Å; L682-I696 HydrophobicContact CG-CG2 4.45Å; K692-I696 PolarHBondContact O-N 2.79Å; A693-I696 VanDerWaalsContact O-CG1 3.3Å; A693-I696 WeakPolarHBondContact O-CG1 3.37Å; A693-I696 PolarHBondContact O-N 3.23Å; I696-K698 VanDerWaalsContact C-N 3.35Å; I696-A699 CarbonylContact O-C 3.28Å; I696-A699 WeakPolarHBondContact O-CA 3.32Å; I696-A699 WeakPolarHBondContact O-CB 3.38Å; I696-A699 PolarHBondContact O-N 3.17Å; I696-A699 VanDerWaalsContact O-N 3.13Å; I696-G700 PolarHBondContact O-N 2.85Å; I696-A701 HydrophobicContact CB-CB 3.95Å; I696-A701 HydrophobicContact CD1-CB 4.42Å; I696-A701 HydrophobicContact CG1-CB 4.38Å; I696-A701 WeakPolarHBondContact O-CB 3.48Å; I696-A701 PolarHBondContact O-N 3.43Å; I696-L735 HydrophobicContact CD1-CD1 4.01Å; I696-L735 HydrophobicContact CD1-CD2 4.04Å; I696-L735 HydrophobicContact CG1-CD1 4.48Å; I696-L735 HydrophobicContact CG1-CD2 3.78Å; I696-L737 HydrophobicContact CD1-CD1 3.85Å |
| 697 | Q | 93.7 | Very high | 91.3 | Very high | 56 Ų | 56 | 29.8 Ų | 29.8 | 26% | 0.262 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64 | -42 | 172.6 | -162.3 | 169.9 | -80.4 | 0 | 0 | 111.1 | A693 R694 A699 G700 D732 T734 L735 | A693-Q697 VanDerWaalsContact O-CB 3.31Å; A693-Q697 WeakPolarHBondContact O-CB 3.33Å; A693-Q697 PolarHBondContact O-N 3.4Å; R694-Q697 PolarHBondContact O-N 2.84Å; Q697-A699 PolarHBondContact O-N 3.35Å; Q697-G700 PolarHBondContact O-N 3.05Å; Q697-D732 PolarHBondContact NE2-O 3.41Å; Q697-T734 PolarHBondContact OE1-OG1 3.4Å; Q697-L735 HydrophobicContact CB-CD2 3.53Å; Q697-L735 HydrophobicContact CG-CD2 3.97Å |
| 698 | K | 91.8 | Very high | 91.6 | Very high | 152 Ų | 152 | 29.2 Ų | 29.2 | 66% | 0.661 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -64.3 | -26.5 | 173.4 | -171.9 | 178 | 179.3 | -178.9 | 0 | 112.8 | E668 R694 I696 G700 | E668-K698 IonicContact OE1-NZ 3.79Å; E668-K698 PolarHBondContact OE1-NZ 3.38Å; R694-K698 WeakPolarHBondContact O-CB 3.39Å; R694-K698 PolarHBondContact O-N 2.85Å; I696-K698 VanDerWaalsContact C-N 3.35Å; K698-G700 VanDerWaalsContact C-N 3.32Å |
| 699 | A | 91.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | I669 A672 V675 N695 I696 Q697 | I669-A699 HydrophobicContact CB-CB 3.93Å; I669-A699 HydrophobicContact CG1-CB 4.13Å; I669-A699 HydrophobicContact CG2-CB 4.25Å; A672-A699 HydrophobicContact CB-CB 3.92Å; V675-A699 HydrophobicContact CB-CB 4.48Å; V675-A699 HydrophobicContact CG1-CB 4.04Å; N695-A699 PolarHBondContact O-N 2.77Å; I696-A699 CarbonylContact O-C 3.28Å; I696-A699 WeakPolarHBondContact O-CA 3.32Å; I696-A699 WeakPolarHBondContact O-CB 3.38Å; I696-A699 PolarHBondContact O-N 3.17Å; I696-A699 VanDerWaalsContact O-N 3.13Å; Q697-A699 PolarHBondContact O-N 3.35Å |
| 700 | G | 91.3 | Very high | 91.5 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 20.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q676 G677 I696 Q697 K698 | Q676-G700 WeakPolarHBondContact CA-O 3.47Å; G677-G700 PolarHBondContact N-O 3.42Å; I696-G700 PolarHBondContact O-N 2.85Å; Q697-G700 PolarHBondContact O-N 3.05Å; K698-G700 VanDerWaalsContact C-N 3.32Å |
| 701 | A | 94.2 | Very high | 91.2 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | trans | -65.4 | 142.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V675 H678 A680 I696 | V675-A701 HydrophobicContact CG1-CB 3.82Å; H678-A701 WeakPolarHBondContact O-CA 3.33Å; A680-A701 HydrophobicContact CB-CB 4.06Å; I696-A701 HydrophobicContact CB-CB 3.95Å; I696-A701 HydrophobicContact CD1-CB 4.42Å; I696-A701 HydrophobicContact CG1-CB 4.38Å; I696-A701 WeakPolarHBondContact O-CB 3.48Å; I696-A701 PolarHBondContact O-N 3.43Å | ||
| 702 | I | 92.4 | Very high | 90.7 | Very high | 67 Ų | 67 | 38.1 Ų | 38.1 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -87.2 | -12.5 | 177.4 | 56.4 | 166.1 | 0 | 0 | 0 | 113.4 | V653 G677 H678 I679 P736 | V653-I702 HydrophobicContact CG1-CD1 4.23Å; V653-I702 HydrophobicContact CG1-CG1 4.44Å; G677-I702 WeakPolarHBondContact O-CD1 3.32Å; H678-I702 WeakPolarHBondContact O-CG1 3.28Å; H678-I702 PolarHBondContact O-N 3Å; I679-I702 HydrophobicContact CG1-CD1 4.23Å; I679-I702 HydrophobicContact CG1-CG1 4.03Å; I702-P736 WeakPolarHBondContact O-CD 3.44Å |
| 703 | G | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | 176.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I679 A680 P736 | I679-G703 WeakPolarHBondContact CA-O 3.32Å; A680-G703 PolarHBondContact N-O 2.98Å; G703-P736 WeakPolarHBondContact CA-O 3.4Å |
| 704 | G | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 152.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A680 P736 L737 L738 | A680-G704 CarbonylContact O-C 3.52Å; A680-G704 VanDerWaalsContact O-CA 3.24Å; A680-G704 WeakPolarHBondContact O-CA 3.44Å; G704-P736 PolarHBondContact N-O 2.91Å; G704-L737 WeakPolarHBondContact O-CA 3.29Å; G704-L738 PolarHBondContact O-N 2.7Å |
| 705 | I | 95.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.4 | 179.6 | -58.4 | 168.8 | 0 | 0 | 0 | 107.7 | I622 I679 A680 L681 L682 L738 L740 L748 V760 L762 | I622-I705 HydrophobicContact CD1-CD1 3.99Å; I622-I705 HydrophobicContact CD1-CG1 3.93Å; I622-I705 HydrophobicContact CD1-CG2 4.09Å; I622-I705 HydrophobicContact CG2-CD1 4.3Å; I679-I705 HydrophobicContact CG2-CD1 3.87Å; I679-I705 HydrophobicContact CG2-CG1 3.9Å; A680-I705 PolarHBondContact O-N 3.3Å; L681-I705 HydrophobicContact CD1-CB 3.65Å; L681-I705 HydrophobicContact CD1-CG2 3.63Å; L682-I705 PolarHBondContact N-O 3.47Å; I705-L738 CarbonylContact C-O 3.16Å; I705-L738 WeakPolarHBondContact CA-O 3.49Å; I705-L740 HydrophobicContact CG2-CD1 3.79Å; I705-L740 HydrophobicContact CG2-CG 4.03Å; I705-L748 HydrophobicContact CD1-CD2 3.78Å; I705-L748 HydrophobicContact CG2-CD2 4.45Å; I705-V760 HydrophobicContact CD1-CG2 4.2Å; I705-L762 HydrophobicContact CD1-CD2 4Å; I705-L762 HydrophobicContact CG1-CD2 4.06Å |
| 706 | V | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116 | 178.1 | -169.5 | 0 | 0 | 0 | 0 | 109.8 | L682 R684 F689 K692 M723 L737 L738 F739 L740 | L682-V706 HydrophobicContact CB-CG2 4.24Å; L682-V706 HydrophobicContact CD1-CG2 4.29Å; L682-V706 CarbonylContact O-C 3.53Å; L682-V706 WeakPolarHBondContact O-CA 3.26Å; R684-V706 HydrophobicContact CB-CG1 4.49Å; F689-V706 HydrophobicContact CD1-CG1 4.14Å; F689-V706 HydrophobicContact CD1-CG2 4.44Å; F689-V706 HydrophobicContact CE1-CG1 3.93Å; K692-V706 HydrophobicContact CD-CG1 4.46Å; V706-M723 HydrophobicContact CB-SD 4.08Å; V706-M723 HydrophobicContact CG2-SD 3.94Å; V706-L737 HydrophobicContact CG2-CD1 4.37Å; V706-L737 HydrophobicContact CG2-CD2 3.99Å; V706-L737 HydrophobicContact CG2-CG 4.2Å; V706-L738 PolarHBondContact N-O 2.58Å; V706-F739 HydrophobicContact CB-CD2 4.36Å; V706-F739 WeakPolarHBondContact O-CA 3.41Å; V706-F739 WeakPolarHBondContact O-CD2 3.17Å; V706-L740 PolarHBondContact O-N 3.15Å |
| 707 | I | 92.9 | Very high | 87.9 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135.3 | 177.2 | -62.6 | 175.1 | 0 | 0 | 0 | 110.3 | L681 L682 Q683 R684 L740 L749 | L681-I707 HydrophobicContact CD1-CD1 3.77Å; L681-I707 HydrophobicContact CD1-CG1 4.01Å; L681-I707 HydrophobicContact CD2-CD1 4.15Å; L681-I707 HydrophobicContact CG-CD1 4.2Å; L682-I707 PolarHBondContact O-N 3.4Å; Q683-I707 CarbonylContact C-O 3.36Å; Q683-I707 WeakPolarHBondContact CA-O 3.46Å; R684-I707 WeakPolarHBondContact CB-O 3.16Å; R684-I707 PolarHBondContact N-O 2.98Å; I707-L740 CarbonylContact C-O 3.03Å; I707-L740 WeakPolarHBondContact CA-O 3.32Å; I707-L740 HydrophobicContact CG1-CB 4.38Å; I707-L749 HydrophobicContact CD1-CD1 3.65Å; I707-L749 HydrophobicContact CD1-CD2 4.28Å; I707-L749 HydrophobicContact CD1-CG 3.71Å |
| 708 | D | 90.4 | Very high | 86.9 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | trans | -60.3 | 141.6 | 175.8 | -162.7 | 28 | 0 | 0 | 0 | 113.3 | R684 S713 F739 L740 F741 | R684-D708 WeakPolarHBondContact CD-OD1 3.46Å; R684-D708 IonicContact CZ-OD1 2.67Å; R684-D708 IonicContact NE-OD1 3.6Å; R684-D708 IonicContact NH1-OD1 3.78Å; R684-D708 PolarHBondContact NH1-OD1 2.92Å; D708-S713 WeakPolarHBondContact OD2-CB 3.28Å; D708-S713 PolarHBondContact OD2-OG 3.43Å; D708-F739 HydrophobicContact CB-CE1 4.26Å; D708-F739 HydrophobicContact CB-CE2 4.31Å; D708-F739 HydrophobicContact CB-CZ 3.62Å; D708-L740 PolarHBondContact N-O 3Å; D708-F741 HydrophobicContact CB-CD1 4.47Å | ||
| 709 | D | 86.1 | Confident | 86 | Confident | 79 Ų | 79 | 44.1 Ų | 44.1 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -92 | -2.1 | -179.6 | 61.6 | -17.7 | 0 | 0 | 0 | 113.7 | Q683 R684 | Q683-D709 HydrophobicContact CG-CB 4.3Å; R684-D709 HydrophobicContact CB-CB 4.17Å; R684-D709 VanDerWaalsContact CD-OD1 3.23Å; R684-D709 WeakPolarHBondContact CD-OD1 3.27Å; R684-D709 WeakPolarHBondContact CG-OD1 3.34Å; R684-D709 IonicContact NE-OD1 3.89Å |
| 710 | N | 84.8 | Confident | 85 | Confident | 98 Ų | 98 | 45.5 Ų | 45.5 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -91.9 | 104 | 178.6 | 179.2 | 53.5 | 0 | 0 | 0 | 111.7 | G712 S713 H742 | N710-G712 PolarHBondContact O-N 3.26Å; N710-S713 PolarHBondContact O-N 2.97Å; N710-S713 PolarHBondContact O-OG 2.87Å; N710-H742 WeakPolarHBondContact O-CB 3.17Å |
| 711 | E | 81.6 | Confident | 83.8 | Confident | 168 Ų | 168 | 47.2 Ų | 47.2 | 79% | 0.785 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 124.1 | -177.5 | -67.3 | -173.3 | 173.9 | 0 | 0 | 112.9 | ||
| 712 | G | 77.5 | Confident | 83 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -0.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | N710 H742 K743 | N710-G712 PolarHBondContact O-N 3.26Å; G712-H742 PolarHBondContact N-ND1 3.16Å; G712-K743 WeakPolarHBondContact O-CE 3.5Å |
| 713 | S | 84.6 | Confident | 82.5 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | trans | -60.5 | 149.5 | 169.5 | 68.8 | 0 | 0 | 0 | 0 | 112 | D708 N710 H742 K743 | D708-S713 WeakPolarHBondContact OD2-CB 3.28Å; D708-S713 PolarHBondContact OD2-OG 3.43Å; N710-S713 PolarHBondContact O-N 2.97Å; N710-S713 PolarHBondContact O-OG 2.87Å; S713-H742 PolarHBondContact O-N 3.3Å; S713-H742 WeakPolarHBondContact OG-CB 3.17Å; S713-H742 PolarHBondContact OG-N 2.77Å; S713-K743 PolarHBondContact O-N 3.35Å | ||
| 714 | S | 85.4 | Confident | 81.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | trans | -167.8 | 147.1 | -173.9 | 170.2 | 0 | 0 | 0 | 0 | 112.3 | D716 T717 A718 K743 E744 | S714-D716 PolarHBondContact O-N 3.48Å; S714-T717 PolarHBondContact O-N 3.18Å; S714-T717 PolarHBondContact O-OG1 2.92Å; S714-A718 PolarHBondContact O-N 3.08Å; S714-A718 VanDerWaalsContact O-N 3.15Å; S714-K743 PolarHBondContact OG-NZ 3.38Å; S714-K743 VanDerWaalsContact OG-NZ 3.09Å; S714-E744 WeakPolarHBondContact CA-OE1 3.45Å; S714-E744 WeakPolarHBondContact CA-OE2 3.36Å; S714-E744 WeakPolarHBondContact CB-OE1 3.09Å; S714-E744 PolarHBondContact OG-OE1 3.19Å | ||
| 715 | S | 82 | Confident | 80.9 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.1 | -176.6 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | T717 E744 | S715-T717 PolarHBondContact O-N 2.8Å; S715-E744 PolarHBondContact N-OE1 2.99Å; S715-E744 PolarHBondContact OG-OE1 2.68Å |
| 716 | D | 76.9 | Confident | 79.9 | Confident | 140 Ų | 140 | 49.8 Ų | 49.8 | 75% | 0.749 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -13.1 | 179 | -53.4 | -12.2 | 0 | 0 | 0 | 112.6 | S714 | S714-D716 PolarHBondContact O-N 3.48Š|
| 717 | T | 73.3 | Confident | 78.5 | Confident | 99 Ų | 99 | 53.7 Ų | 53.7 | 61% | 0.607 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | -13.3 | -167.2 | 59 | 0 | 0 | 0 | 0 | 114.4 | S714 S715 | S714-T717 PolarHBondContact O-N 3.18Å; S714-T717 PolarHBondContact O-OG1 2.92Å; S715-T717 PolarHBondContact O-N 2.8Å |
| 718 | A | 72.4 | Confident | 77.5 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -142.6 | 141.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S714 F741 | S714-A718 PolarHBondContact O-N 3.08Å; S714-A718 VanDerWaalsContact O-N 3.15Å; A718-F741 HydrophobicContact CB-CE1 4.4Å; A718-F741 HydrophobicContact CB-CZ 4.04Å |
| 719 | P | 71.9 | Confident | 76.7 | Confident | 98 Ų | 98 | 66 Ų | 66 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 143.1 | 175.1 | 27.8 | -35 | 0 | 0 | 0 | 110.2 | F721 | P719-F721 PolarHBondContact O-N 2.61Š|
| 720 | L | 70.4 | Confident | 76.4 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 134.8 | -173.6 | -76.5 | 158.3 | 0 | 0 | 0 | 111.9 | Q616 P619 T636 F741 | Q616-L720 PolarHBondContact NE2-O 3.26Å; P619-L720 HydrophobicContact CB-CD1 3.68Å; P619-L720 HydrophobicContact CG-CD1 4.21Å; T636-L720 HydrophobicContact CG2-CD1 4.18Å; T636-L720 HydrophobicContact CG2-CD2 4.07Å; L720-F741 HydrophobicContact CD2-CE2 4.21Å |
| 721 | F | 66.3 | Low | 76.2 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 126.8 | -177.3 | 179 | -96.3 | 0 | 0 | 0 | 110.8 | G638 F689 P719 M723 F739 F741 | G638-F721 WeakPolarHBondContact CA-O 3.09Å; F689-F721 HydrophobicContact CD2-CE1 4.41Å; F689-F721 HydrophobicContact CE1-CE1 4.47Å; F689-F721 AromaticContact CE2-CE1 3.53Å; F689-F721 HydrophobicContact CE2-CE1 3.53Å; F689-F721 AromaticContact CE2-CZ 3.73Å; F689-F721 HydrophobicContact CE2-CZ 3.73Å; F689-F721 AromaticContact CZ-CE1 3.55Å; F689-F721 HydrophobicContact CZ-CE1 3.55Å; F689-F721 HydrophobicContact CZ-CZ 4.07Å; P719-F721 PolarHBondContact O-N 2.61Å; F721-M723 HydrophobicContact CD1-CG 4.38Å; F721-M723 HydrophobicContact CE1-CG 4.06Å; F721-F739 HydrophobicContact CB-CD1 3.93Å; F721-F739 HydrophobicContact CB-CE1 3.8Å; F721-F739 HydrophobicContact CB-CZ 4.5Å; F721-F739 AromaticContact CD1-CD1 3.97Å; F721-F739 HydrophobicContact CD1-CD1 3.97Å; F721-F739 HydrophobicContact CD1-CD2 4.05Å; F721-F739 AromaticContact CD1-CE1 3.97Å; F721-F739 HydrophobicContact CD1-CE1 3.97Å; F721-F739 HydrophobicContact CD1-CE2 4.05Å; F721-F739 AromaticContact CD1-CG 3.99Å; F721-F739 HydrophobicContact CD1-CG 3.99Å; F721-F739 HydrophobicContact CD1-CZ 4Å; F721-F739 HydrophobicContact CE1-CE2 4.48Å; F721-F739 HydrophobicContact CG-CD1 4.41Å; F721-F739 HydrophobicContact CG-CE1 4.19Å; F721-F739 HydrophobicContact CG-CZ 4.44Å; F721-F741 HydrophobicContact CB-CE1 4.46Å; F721-F741 HydrophobicContact CB-CZ 4.25Å |
| 722 | Q | 77.4 | Confident | 76.3 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 15% | 0.154 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 135.8 | 171.2 | -72.4 | -175.8 | -4.4 | 0 | 0 | 111.2 | E615 P639 A724 | E615-Q722 PolarHBondContact O-NE2 3.38Å; E615-Q722 VanDerWaalsContact O-NE2 3.15Å; P639-Q722 HydrophobicContact CG-CG 4.34Å; P639-Q722 WeakPolarHBondContact O-CA 3.45Å; Q722-A724 PolarHBondContact O-N 3.02Å |
| 723 | M | 82.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 103.6 | 171.9 | -67.6 | -176.7 | -67.6 | 0 | 0 | 110.4 | P639 A640 Q641 F642 F689 V706 F721 L737 F739 | P639-M723 PolarHBondContact O-N 3.21Å; A640-M723 HydrophobicContact CB-CB 4.21Å; A640-M723 HydrophobicContact CB-CE 4.18Å; Q641-M723 PolarHBondContact N-O 3.29Å; F642-M723 HydrophobicContact CE1-CB 4.27Å; F642-M723 VanDerWaalsContact CE1-O 3.22Å; F642-M723 WeakPolarHBondContact CE1-O 3.43Å; F642-M723 HydrophobicContact CZ-CB 4.34Å; F689-M723 HydrophobicContact CB-CB 3.89Å; F689-M723 HydrophobicContact CB-CG 4.13Å; F689-M723 HydrophobicContact CB-SD 4.07Å; F689-M723 HydrophobicContact CD1-CB 4.34Å; F689-M723 HydrophobicContact CD1-CG 3.64Å; F689-M723 HydrophobicContact CD1-SD 3.31Å; F689-M723 WeakPolarHBondContact CD1-SD 3.32Å; F689-M723 HydrophobicContact CD2-CB 4.07Å; F689-M723 HydrophobicContact CD2-CG 3.99Å; F689-M723 HydrophobicContact CE1-CG 3.95Å; F689-M723 HydrophobicContact CE1-SD 3.85Å; F689-M723 HydrophobicContact CE2-CG 4.3Å; F689-M723 HydrophobicContact CG-CB 3.85Å; F689-M723 HydrophobicContact CG-CG 3.65Å; F689-M723 HydrophobicContact CG-SD 3.79Å; F689-M723 HydrophobicContact CZ-CG 4.27Å; V706-M723 HydrophobicContact CB-SD 4.08Å; V706-M723 HydrophobicContact CG2-SD 3.94Å; F721-M723 HydrophobicContact CD1-CG 4.38Å; F721-M723 HydrophobicContact CE1-CG 4.06Å; M723-L737 HydrophobicContact CE-CB 4.03Å; M723-L737 HydrophobicContact CE-CD2 3.69Å; M723-L737 HydrophobicContact CE-CG 3.74Å; M723-L737 WeakPolarHBondContact CE-O 3.32Å; M723-L737 HydrophobicContact SD-CD2 3.79Å; M723-L737 HydrophobicContact SD-CG 4.4Å; M723-F739 HydrophobicContact CE-CB 3.88Å; M723-F739 HydrophobicContact CG-CB 4.06Å; M723-F739 HydrophobicContact CG-CD2 4.26Å; M723-F739 HydrophobicContact CG-CG 4.47Å; M723-F739 HydrophobicContact SD-CB 3.93Å; M723-F739 HydrophobicContact SD-CD2 4.11Å; M723-F739 HydrophobicContact SD-CG 4.5Å |
| 724 | A | 78.4 | Confident | 77 | Confident | 41 Ų | 41 | 63.5 Ų | 63.5 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | trans | -79.8 | 155.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q722 | Q722-A724 PolarHBondContact O-N 3.02Š| ||
| 725 | G | 73.9 | Confident | 77.1 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | trans | -70.4 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M688 G727 | M688-G725 VanDerWaalsContact CE-O 3.32Å; M688-G725 WeakPolarHBondContact CE-O 3.21Å; G725-G727 VanDerWaalsContact C-N 3.27Å; G725-G727 PolarHBondContact O-N 2.75Å | ||
| 726 | D | 75.1 | Confident | 77.6 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 19% | 0.193 | 37% | 0.372 | C | S | . | . | trans | -86.3 | 15.1 | -179 | 70.5 | -41.8 | 0 | 0 | 0 | 114.5 | M688 A690 R694 R728 | M688-D726 HydrophobicContact CB-CB 3.86Å; M688-D726 HydrophobicContact CG-CB 4.05Å; A690-D726 HydrophobicContact CB-CB 4.2Å; R694-D726 IonicContact CZ-OD1 3.68Å; R694-D726 IonicContact NH1-OD1 2.6Å; R694-D726 PolarHBondContact NH1-OD1 3.11Å; R694-D726 IonicContact NH1-OD2 3.12Å; R694-D726 PolarHBondContact NH1-OD2 3.33Å; R694-D726 IonicContact NH2-OD1 3.04Å; D726-R728 PolarHBondContact O-N 3.01Å; D726-R728 VanDerWaalsContact OD2-CD 3.29Å; D726-R728 WeakPolarHBondContact OD2-CD 3.42Å; D726-R728 IonicContact OD2-NE 3.74Å | ||
| 727 | G | 65.8 | Low | 78.4 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 84% | 0.835 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 74.3 | 8.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G725 | G725-G727 VanDerWaalsContact C-N 3.27Å; G725-G727 PolarHBondContact O-N 2.75Å |
| 728 | R | 71.1 | Confident | 79.3 | Confident | 192 Ų | 192 | 51.9 Ų | 51.9 | 73% | 0.725 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -102 | 173.1 | 167.8 | -57.1 | -176.8 | -178.5 | 160.9 | 2.5 | 109.2 | D726 T730 | D726-R728 PolarHBondContact O-N 3.01Å; D726-R728 VanDerWaalsContact OD2-CD 3.29Å; D726-R728 WeakPolarHBondContact OD2-CD 3.42Å; D726-R728 IonicContact OD2-NE 3.74Å; R728-T730 PolarHBondContact O-N 3.24Å |
| 729 | S | 72.8 | Confident | 80.3 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | trans | -56.3 | 138.5 | 160.3 | 150.3 | 0 | 0 | 0 | 0 | 108.4 | R694 D731 | R694-S729 PolarHBondContact NH2-O 3.04Å; S729-D731 WeakPolarHBondContact CB-OD2 3.49Å; S729-D731 PolarHBondContact OG-N 3.39Å; S729-D731 PolarHBondContact OG-OD2 2.88Å | ||
| 730 | T | 81.1 | Confident | 81.3 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 20% | 0.202 | 27% | 0.266 | C | S | . | . | trans | -113.8 | 13.5 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | F642 A690 R728 D732 I733 | F642-T730 HydrophobicContact CB-CG2 4.13Å; F642-T730 HydrophobicContact CG-CG2 4.43Å; A690-T730 HydrophobicContact CB-CG2 4.22Å; R728-T730 PolarHBondContact O-N 3.24Å; T730-D732 PolarHBondContact O-N 2.6Å; T730-D732 VanDerWaalsContact O-N 3.14Å; T730-I733 HydrophobicContact CG2-CD1 4.28Å; T730-I733 PolarHBondContact O-N 3.14Å | ||
| 731 | D | 80.4 | Confident | 82.4 | Confident | 141 Ų | 141 | 44.4 Ų | 44.4 | 75% | 0.754 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11 | -179.9 | -49.2 | -63.7 | 0 | 0 | 0 | 112.3 | S729 | S729-D731 WeakPolarHBondContact CB-OD2 3.49Å; S729-D731 PolarHBondContact OG-N 3.39Å; S729-D731 PolarHBondContact OG-OD2 2.88Å |
| 732 | D | 83.8 | Confident | 83.6 | Confident | 76 Ų | 76 | 43 Ų | 43 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.5 | 173.9 | 70 | -49.9 | 0 | 0 | 0 | 113.8 | R694 Q697 T730 | R694-D732 IonicContact CZ-OD1 3.43Å; R694-D732 IonicContact CZ-OD2 2.71Å; R694-D732 IonicContact NE-OD1 3.26Å; R694-D732 PolarHBondContact NE-OD1 2.97Å; R694-D732 IonicContact NE-OD2 3.19Å; R694-D732 PolarHBondContact NE-OD2 3.31Å; R694-D732 IonicContact NH2-OD1 3.05Å; R694-D732 PolarHBondContact NH2-OD1 2.94Å; R694-D732 IonicContact NH2-OD2 3.37Å; Q697-D732 PolarHBondContact NE2-O 3.41Å; T730-D732 PolarHBondContact O-N 2.6Å; T730-D732 VanDerWaalsContact O-N 3.14Å |
| 733 | I | 88.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | trans | -101.5 | 116.2 | -179.9 | -55.1 | 168.4 | 0 | 0 | 0 | 109.3 | F642 G643 A690 A693 R694 T730 L735 | F642-I733 HydrophobicContact CD2-CB 4.41Å; F642-I733 HydrophobicContact CD2-CD1 3.82Å; F642-I733 HydrophobicContact CD2-CG2 3.98Å; F642-I733 HydrophobicContact CE2-CD1 4.27Å; F642-I733 HydrophobicContact CG-CD1 4.39Å; G643-I733 WeakPolarHBondContact CA-O 3.45Å; A690-I733 HydrophobicContact CB-CD1 3.68Å; A693-I733 HydrophobicContact CB-CD1 4.2Å; A693-I733 HydrophobicContact CB-CG2 3.81Å; R694-I733 HydrophobicContact CG-CD1 4.16Å; R694-I733 HydrophobicContact CG-CG1 3.9Å; T730-I733 HydrophobicContact CG2-CD1 4.28Å; T730-I733 PolarHBondContact O-N 3.14Å; I733-L735 HydrophobicContact CG2-CG 4.46Å | ||
| 734 | T | 87.6 | Confident | 84.6 | Confident | 92 Ų | 92 | 46.5 Ų | 46.5 | 56% | 0.564 | 27% | 0.268 | S | S | * | . | trans | -114.6 | -14.5 | -175.2 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | T644 Q697 | T644-T734 VanDerWaalsContact CB-O 3.27Å; T644-T734 WeakPolarHBondContact CB-O 3.46Å; T644-T734 PolarHBondContact N-O 2.83Å; T644-T734 PolarHBondContact OG1-O 3.01Å; Q697-T734 PolarHBondContact OE1-OG1 3.4Å | ||
| 735 | L | 89.1 | Confident | 85.2 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -78.3 | 148.4 | 175 | 64 | 86.2 | 0 | 0 | 0 | 111.9 | G643 T644 A693 I696 Q697 I733 L737 | G643-L735 WeakPolarHBondContact CA-O 3.02Å; T644-L735 PolarHBondContact N-O 3.26Å; A693-L735 HydrophobicContact CB-CD1 4.36Å; I696-L735 HydrophobicContact CD1-CD1 4.01Å; I696-L735 HydrophobicContact CD1-CD2 4.04Å; I696-L735 HydrophobicContact CG1-CD1 4.48Å; I696-L735 HydrophobicContact CG1-CD2 3.78Å; Q697-L735 HydrophobicContact CB-CD2 3.53Å; Q697-L735 HydrophobicContact CG-CD2 3.97Å; I733-L735 HydrophobicContact CG2-CG 4.46Å; L735-L737 HydrophobicContact CD1-CB 4.28Å; L735-L737 HydrophobicContact CD1-CD1 3.88Å |
| 736 | P | 91.9 | Very high | 86 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | trans | -74.9 | 139.4 | 169.3 | 31.7 | -34 | 0 | 0 | 0 | 110.7 | L646 V653 I702 G703 G704 L762 | L646-P736 HydrophobicContact CD1-CB 4.28Å; L646-P736 HydrophobicContact CD2-CB 3.79Å; L646-P736 HydrophobicContact CD2-CG 4.15Å; L646-P736 HydrophobicContact CG-CB 3.97Å; V653-P736 HydrophobicContact CB-CG 4.28Å; V653-P736 HydrophobicContact CG2-CG 3.88Å; I702-P736 WeakPolarHBondContact O-CD 3.44Å; G703-P736 WeakPolarHBondContact CA-O 3.4Å; G704-P736 PolarHBondContact N-O 2.91Å; P736-L762 HydrophobicContact CG-CD1 4.41Å | ||
| 737 | L | 92.4 | Very high | 86.8 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.9 | 177.5 | -157.6 | 82.4 | 0 | 0 | 0 | 110.3 | A640 F642 F689 A693 I696 G704 V706 M723 L735 | A640-L737 HydrophobicContact CB-CB 4.17Å; A640-L737 WeakPolarHBondContact CB-O 3.32Å; A640-L737 PolarHBondContact N-O 2.88Å; F642-L737 HydrophobicContact CE2-CB 4.44Å; F642-L737 HydrophobicContact CE2-CD2 4.02Å; F642-L737 HydrophobicContact CZ-CD2 4.05Å; F689-L737 HydrophobicContact CB-CD2 4.42Å; A693-L737 HydrophobicContact CB-CD2 4.33Å; I696-L737 HydrophobicContact CD1-CD1 3.85Å; G704-L737 WeakPolarHBondContact O-CA 3.29Å; V706-L737 HydrophobicContact CG2-CD1 4.37Å; V706-L737 HydrophobicContact CG2-CD2 3.99Å; V706-L737 HydrophobicContact CG2-CG 4.2Å; M723-L737 HydrophobicContact CE-CB 4.03Å; M723-L737 HydrophobicContact CE-CD2 3.69Å; M723-L737 HydrophobicContact CE-CG 3.74Å; M723-L737 WeakPolarHBondContact CE-O 3.32Å; M723-L737 HydrophobicContact SD-CD2 3.79Å; M723-L737 HydrophobicContact SD-CG 4.4Å; L735-L737 HydrophobicContact CD1-CB 4.28Å; L735-L737 HydrophobicContact CD1-CD1 3.88Å |
| 738 | L | 93.6 | Very high | 88 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.1 | -179.1 | -67 | -173.8 | 0 | 0 | 0 | 112.4 | R620 I622 A637 L646 G704 I705 V706 L762 | R620-L738 HydrophobicContact CB-CD1 4.07Å; R620-L738 HydrophobicContact CB-CD2 3.57Å; R620-L738 HydrophobicContact CG-CD2 3.73Å; I622-L738 HydrophobicContact CD1-CB 4Å; I622-L738 HydrophobicContact CD1-CD1 3.99Å; I622-L738 HydrophobicContact CG1-CD1 3.64Å; A637-L738 HydrophobicContact CB-CB 4.1Å; A637-L738 HydrophobicContact CB-CD1 4.23Å; L646-L738 HydrophobicContact CD1-CD1 3.95Å; L646-L738 HydrophobicContact CD1-CD2 4.15Å; L646-L738 HydrophobicContact CD1-CG 4.23Å; G704-L738 PolarHBondContact O-N 2.7Å; I705-L738 CarbonylContact C-O 3.16Å; I705-L738 WeakPolarHBondContact CA-O 3.49Å; V706-L738 PolarHBondContact N-O 2.58Å; L738-L762 HydrophobicContact CD1-CB 4.04Å; L738-L762 HydrophobicContact CD1-CD2 4.23Å |
| 739 | F | 93.3 | Very high | 89 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.3 | -178.5 | -176.2 | -97.7 | 0 | 0 | 0 | 111.2 | A637 G638 F689 V706 D708 F721 M723 F741 | A637-F739 CarbonylContact C-O 3.45Å; A637-F739 WeakPolarHBondContact CA-O 3.37Å; A637-F739 WeakPolarHBondContact CB-O 3.2Å; G638-F739 PolarHBondContact N-O 2.83Å; G638-F739 PolarHBondContact O-N 3.23Å; F689-F739 HydrophobicContact CE1-CD2 4.18Å; F689-F739 HydrophobicContact CE1-CE2 4.22Å; F689-F739 HydrophobicContact CZ-CE2 4.37Å; V706-F739 HydrophobicContact CB-CD2 4.36Å; V706-F739 WeakPolarHBondContact O-CA 3.41Å; V706-F739 WeakPolarHBondContact O-CD2 3.17Å; D708-F739 HydrophobicContact CB-CE1 4.26Å; D708-F739 HydrophobicContact CB-CE2 4.31Å; D708-F739 HydrophobicContact CB-CZ 3.62Å; F721-F739 HydrophobicContact CB-CD1 3.93Å; F721-F739 HydrophobicContact CB-CE1 3.8Å; F721-F739 HydrophobicContact CB-CZ 4.5Å; F721-F739 AromaticContact CD1-CD1 3.97Å; F721-F739 HydrophobicContact CD1-CD1 3.97Å; F721-F739 HydrophobicContact CD1-CD2 4.05Å; F721-F739 AromaticContact CD1-CE1 3.97Å; F721-F739 HydrophobicContact CD1-CE1 3.97Å; F721-F739 HydrophobicContact CD1-CE2 4.05Å; F721-F739 AromaticContact CD1-CG 3.99Å; F721-F739 HydrophobicContact CD1-CG 3.99Å; F721-F739 HydrophobicContact CD1-CZ 4Å; F721-F739 HydrophobicContact CE1-CE2 4.48Å; F721-F739 HydrophobicContact CG-CD1 4.41Å; F721-F739 HydrophobicContact CG-CE1 4.19Å; F721-F739 HydrophobicContact CG-CZ 4.44Å; M723-F739 HydrophobicContact CE-CB 3.88Å; M723-F739 HydrophobicContact CG-CB 4.06Å; M723-F739 HydrophobicContact CG-CD2 4.26Å; M723-F739 HydrophobicContact CG-CG 4.47Å; M723-F739 HydrophobicContact SD-CB 3.93Å; M723-F739 HydrophobicContact SD-CD2 4.11Å; M723-F739 HydrophobicContact SD-CG 4.5Å; F739-F741 AromaticContact CE1-CD1 3.8Å; F739-F741 HydrophobicContact CE1-CD1 3.8Å; F739-F741 AromaticContact CE1-CE1 3.92Å; F739-F741 HydrophobicContact CE1-CE1 3.92Å; F739-F741 HydrophobicContact CE1-CG 4.3Å |
| 740 | L | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.9 | 170.6 | -72.1 | 179.2 | 0 | 0 | 0 | 110.3 | I622 L635 T636 A637 I705 V706 I707 D708 E744 L748 | I622-L740 HydrophobicContact CD1-CD1 4.07Å; I622-L740 HydrophobicContact CD1-CD2 4.07Å; I622-L740 HydrophobicContact CD1-CG 3.97Å; L635-L740 HydrophobicContact CB-CD2 3.92Å; L635-L740 HydrophobicContact CD1-CD1 4.07Å; T636-L740 WeakPolarHBondContact O-CD2 3.4Å; A637-L740 HydrophobicContact CB-CD2 3.94Å; I705-L740 HydrophobicContact CG2-CD1 3.79Å; I705-L740 HydrophobicContact CG2-CG 4.03Å; V706-L740 PolarHBondContact O-N 3.15Å; I707-L740 CarbonylContact C-O 3.03Å; I707-L740 WeakPolarHBondContact CA-O 3.32Å; I707-L740 HydrophobicContact CG1-CB 4.38Å; D708-L740 PolarHBondContact N-O 3Å; L740-E744 HydrophobicContact CD2-CB 4.18Å; L740-L748 HydrophobicContact CD1-CD2 4.33Å |
| 741 | F | 92.5 | Very high | 90.2 | Very high | 14 Ų | 14 | 37 Ų | 37 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | trans | -69.2 | 166.2 | 165 | -74.6 | -62.7 | 0 | 0 | 0 | 111 | D708 A718 L720 F721 F739 K743 E744 G745 | D708-F741 HydrophobicContact CB-CD1 4.47Å; A718-F741 HydrophobicContact CB-CE1 4.4Å; A718-F741 HydrophobicContact CB-CZ 4.04Å; L720-F741 HydrophobicContact CD2-CE2 4.21Å; F721-F741 HydrophobicContact CB-CE1 4.46Å; F721-F741 HydrophobicContact CB-CZ 4.25Å; F739-F741 AromaticContact CE1-CD1 3.8Å; F739-F741 HydrophobicContact CE1-CD1 3.8Å; F739-F741 AromaticContact CE1-CE1 3.92Å; F739-F741 HydrophobicContact CE1-CE1 3.92Å; F739-F741 HydrophobicContact CE1-CG 4.3Å; F741-K743 PolarHBondContact O-N 3.19Å; F741-E744 WeakPolarHBondContact CB-OE2 3.21Å; F741-E744 PolarHBondContact O-N 2.96Å; F741-G745 PolarHBondContact O-N 2.73Å | ||
| 742 | H | 91 | Very high | 90.6 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.5 | -37.6 | -166.1 | 178.2 | -85.8 | 0 | 0 | 0 | 113.9 | N710 G712 S713 N746 | N710-H742 WeakPolarHBondContact O-CB 3.17Å; G712-H742 PolarHBondContact N-ND1 3.16Å; S713-H742 PolarHBondContact O-N 3.3Å; S713-H742 WeakPolarHBondContact OG-CB 3.17Å; S713-H742 PolarHBondContact OG-N 2.77Å; H742-N746 PolarHBondContact CE1-ND2 3.41Å; H742-N746 WeakPolarHBondContact O-CB 3.23Å; H742-N746 VanDerWaalsContact O-CG 3.32Å; H742-N746 PolarHBondContact O-N 2.94Å |
| 743 | K | 89.8 | Confident | 90.8 | Very high | 91 Ų | 91 | 36.1 Ų | 36.1 | 40% | 0.396 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.2 | -45.5 | 178.1 | -67.2 | -172.1 | -145.9 | 148.7 | 0 | 111.8 | G712 S713 S714 F741 N746 I747 | G712-K743 WeakPolarHBondContact O-CE 3.5Å; S713-K743 PolarHBondContact O-N 3.35Å; S714-K743 PolarHBondContact OG-NZ 3.38Å; S714-K743 VanDerWaalsContact OG-NZ 3.09Å; F741-K743 PolarHBondContact O-N 3.19Å; K743-N746 WeakPolarHBondContact O-CB 3.3Å; K743-N746 PolarHBondContact O-N 2.78Å; K743-I747 PolarHBondContact O-N 3.49Å |
| 744 | E | 91.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71 | -39.8 | -175.9 | -59.4 | 76.3 | -173.8 | 0 | 0 | 110 | L635 S714 S715 L740 F741 N746 I747 | L635-E744 HydrophobicContact CD2-CB 4.39Å; S714-E744 WeakPolarHBondContact CA-OE1 3.45Å; S714-E744 WeakPolarHBondContact CA-OE2 3.36Å; S714-E744 WeakPolarHBondContact CB-OE1 3.09Å; S714-E744 PolarHBondContact OG-OE1 3.19Å; S715-E744 PolarHBondContact N-OE1 2.99Å; S715-E744 PolarHBondContact OG-OE1 2.68Å; L740-E744 HydrophobicContact CD2-CB 4.18Å; F741-E744 WeakPolarHBondContact CB-OE2 3.21Å; F741-E744 PolarHBondContact O-N 2.96Å; E744-N746 VanDerWaalsContact C-N 3.33Å; E744-N746 PolarHBondContact O-N 3.07Å; E744-I747 PolarHBondContact O-N 3.38Å |
| 745 | G | 90.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -35.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F741 I747 L748 L749 | F741-G745 PolarHBondContact O-N 2.73Å; G745-I747 VanDerWaalsContact C-N 3.35Å; G745-I747 PolarHBondContact O-N 3.06Å; G745-L748 PolarHBondContact O-N 3.26Å; G745-L749 WeakPolarHBondContact O-CG 3.18Å; G745-L749 PolarHBondContact O-N 2.88Å |
| 746 | N | 91.6 | Very high | 89.9 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.3 | -34.4 | 176.1 | -86.5 | -10.5 | 0 | 0 | 0 | 113.2 | H742 K743 E744 L748 L749 E750 | H742-N746 PolarHBondContact CE1-ND2 3.41Å; H742-N746 WeakPolarHBondContact O-CB 3.23Å; H742-N746 VanDerWaalsContact O-CG 3.32Å; H742-N746 PolarHBondContact O-N 2.94Å; K743-N746 WeakPolarHBondContact O-CB 3.3Å; K743-N746 PolarHBondContact O-N 2.78Å; E744-N746 VanDerWaalsContact C-N 3.33Å; E744-N746 PolarHBondContact O-N 3.07Å; N746-L748 VanDerWaalsContact C-N 3.29Å; N746-L748 PolarHBondContact O-N 3.02Å; N746-L749 CarbonylContact O-C 3.53Å; N746-L749 PolarHBondContact O-N 3.09Å; N746-E750 WeakPolarHBondContact O-CB 3.45Å; N746-E750 WeakPolarHBondContact O-CG 3.27Å; N746-E750 PolarHBondContact O-N 2.77Å |
| 747 | I | 90.8 | Very high | 89.6 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 174.7 | -61.6 | 168.2 | 0 | 0 | 0 | 110.3 | V633 L635 K743 E744 G745 E750 A751 | V633-I747 HydrophobicContact CG1-CG2 3.94Å; L635-I747 HydrophobicContact CD2-CB 4.1Å; L635-I747 HydrophobicContact CD2-CD1 3.87Å; L635-I747 HydrophobicContact CD2-CG2 4.17Å; K743-I747 PolarHBondContact O-N 3.49Å; E744-I747 PolarHBondContact O-N 3.38Å; G745-I747 VanDerWaalsContact C-N 3.35Å; G745-I747 PolarHBondContact O-N 3.06Å; I747-E750 PolarHBondContact O-N 3.3Å; I747-A751 PolarHBondContact O-N 3.48Å |
| 748 | L | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.6 | -175.2 | 61.3 | 0 | 0 | 0 | 112.3 | I624 L635 L681 I705 L740 G745 N746 E750 A751 L752 V758 V760 | I624-L748 HydrophobicContact CD1-CD1 4.16Å; I624-L748 HydrophobicContact CG1-CD1 4.38Å; L635-L748 HydrophobicContact CD1-CB 4.12Å; L681-L748 HydrophobicContact CD1-CD2 3.97Å; L681-L748 HydrophobicContact CD2-CD2 4.41Å; I705-L748 HydrophobicContact CD1-CD2 3.78Å; I705-L748 HydrophobicContact CG2-CD2 4.45Å; L740-L748 HydrophobicContact CD1-CD2 4.33Å; G745-L748 PolarHBondContact O-N 3.26Å; N746-L748 VanDerWaalsContact C-N 3.29Å; N746-L748 PolarHBondContact O-N 3.02Å; L748-E750 VanDerWaalsContact C-N 3.31Å; L748-E750 PolarHBondContact O-N 2.81Å; L748-A751 PolarHBondContact O-N 3.04Å; L748-L752 HydrophobicContact CG-CD1 4.37Å; L748-L752 WeakPolarHBondContact O-CB 3.36Å; L748-L752 WeakPolarHBondContact O-CG 3.36Å; L748-L752 PolarHBondContact O-N 3.13Å; L748-V758 HydrophobicContact CD1-CG1 3.98Å; L748-V760 HydrophobicContact CD1-CG1 3.84Å |
| 749 | L | 91.2 | Very high | 89.5 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71 | -20.9 | 175.8 | -71.2 | 170.1 | 0 | 0 | 0 | 113.8 | L681 I707 G745 N746 K753 | L681-L749 HydrophobicContact CD2-CD2 3.61Å; L681-L749 HydrophobicContact CD2-CG 4.34Å; I707-L749 HydrophobicContact CD1-CD1 3.65Å; I707-L749 HydrophobicContact CD1-CD2 4.28Å; I707-L749 HydrophobicContact CD1-CG 3.71Å; G745-L749 WeakPolarHBondContact O-CG 3.18Å; G745-L749 PolarHBondContact O-N 2.88Å; N746-L749 CarbonylContact O-C 3.53Å; N746-L749 PolarHBondContact O-N 3.09Å; L749-K753 WeakPolarHBondContact O-CD 3.38Å; L749-K753 WeakPolarHBondContact O-CE 3.2Å; L749-K753 VanDerWaalsContact O-CG 3.25Å; L749-K753 WeakPolarHBondContact O-CG 3.46Å; L749-K753 PolarHBondContact O-NZ 3.25Å |
| 750 | E | 90.3 | Very high | 89.6 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -81.7 | -43.8 | 172.3 | -76.4 | 174.7 | -179.5 | 0 | 0 | 110.7 | N746 I747 L748 L752 K753 E754 | N746-E750 WeakPolarHBondContact O-CB 3.45Å; N746-E750 WeakPolarHBondContact O-CG 3.27Å; N746-E750 PolarHBondContact O-N 2.77Å; I747-E750 PolarHBondContact O-N 3.3Å; L748-E750 VanDerWaalsContact C-N 3.31Å; L748-E750 PolarHBondContact O-N 2.81Å; E750-L752 VanDerWaalsContact C-N 3.27Å; E750-L752 PolarHBondContact O-N 3.46Å; E750-K753 PolarHBondContact O-N 3.11Å; E750-E754 PolarHBondContact O-N 2.97Å; E750-E754 VanDerWaalsContact O-N 3.09Å |
| 751 | A | 88.8 | Confident | 89.5 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.3 | -42.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | I624 F629 I747 L748 K753 E754 Y755 V758 | I624-A751 HydrophobicContact CD1-CB 4.24Å; F629-A751 HydrophobicContact CE2-CB 3.79Å; F629-A751 HydrophobicContact CZ-CB 4.14Å; I747-A751 PolarHBondContact O-N 3.48Å; L748-A751 PolarHBondContact O-N 3.04Å; A751-K753 PolarHBondContact O-N 2.85Å; A751-E754 PolarHBondContact O-N 3.08Å; A751-Y755 WeakPolarHBondContact O-CD2 3.36Å; A751-Y755 PolarHBondContact O-N 2.7Å; A751-V758 HydrophobicContact CB-CG1 4.33Å; A751-V758 HydrophobicContact CB-CG2 4.11Å; A751-V758 WeakPolarHBondContact O-CG2 3.41Å |
| 752 | L | 89.3 | Confident | 89.6 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69 | -11.7 | 177.1 | -78.5 | 165.7 | 0 | 0 | 0 | 115.1 | V657 L681 L748 E750 V758 | V657-L752 HydrophobicContact CB-CD1 4.48Å; V657-L752 HydrophobicContact CB-CD2 4.38Å; V657-L752 HydrophobicContact CG1-CD1 3.94Å; L681-L752 HydrophobicContact CD2-CD1 3.54Å; L748-L752 HydrophobicContact CG-CD1 4.37Å; L748-L752 WeakPolarHBondContact O-CB 3.36Å; L748-L752 WeakPolarHBondContact O-CG 3.36Å; L748-L752 PolarHBondContact O-N 3.13Å; E750-L752 VanDerWaalsContact C-N 3.27Å; E750-L752 PolarHBondContact O-N 3.46Å; L752-V758 HydrophobicContact CD2-CB 3.76Å; L752-V758 HydrophobicContact CD2-CG2 3.81Å; L752-V758 HydrophobicContact CG-CB 4.16Å; L752-V758 HydrophobicContact CG-CG2 4.02Å |
| 753 | K | 88.4 | Confident | 89.5 | Confident | 156 Ų | 156 | 58.7 Ų | 58.7 | 68% | 0.678 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -95.1 | -32.7 | 173 | -67.6 | 160.7 | -164.4 | 148.9 | 0 | 112 | L749 E750 A751 | L749-K753 WeakPolarHBondContact O-CD 3.38Å; L749-K753 WeakPolarHBondContact O-CE 3.2Å; L749-K753 VanDerWaalsContact O-CG 3.25Å; L749-K753 WeakPolarHBondContact O-CG 3.46Å; L749-K753 PolarHBondContact O-NZ 3.25Å; E750-K753 PolarHBondContact O-N 3.11Å; A751-K753 PolarHBondContact O-N 2.85Å |
| 754 | E | 86.1 | Confident | 89.3 | Confident | 138 Ų | 138 | 55.9 Ų | 55.9 | 65% | 0.645 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -86.6 | -37.2 | -177.2 | -169.3 | 171.9 | -135.5 | 0 | 0 | 112.3 | E750 A751 | E750-E754 PolarHBondContact O-N 2.97Å; E750-E754 VanDerWaalsContact O-N 3.09Å; A751-E754 PolarHBondContact O-N 3.08Å |
| 755 | Y | 85.8 | Confident | 88.9 | Confident | 65 Ų | 65 | 60.3 Ų | 60.3 | 26% | 0.255 | 27% | 0.272 | S | S | . | . | trans | -115.6 | 136 | -177.7 | -51.6 | -77.3 | 0 | 0 | 0 | 111.2 | P628 F629 A751 E757 | P628-Y755 HydrophobicContact CG-CE1 4.23Å; P628-Y755 HydrophobicContact CG-CE2 4.36Å; F629-Y755 AromaticContact CE2-CD2 3.82Å; F629-Y755 HydrophobicContact CE2-CD2 3.82Å; F629-Y755 AromaticContact CE2-CE2 3.68Å; F629-Y755 HydrophobicContact CE2-CE2 3.68Å; F629-Y755 HydrophobicContact CZ-CD2 4.35Å; F629-Y755 AromaticContact CZ-CE2 3.79Å; F629-Y755 HydrophobicContact CZ-CE2 3.79Å; A751-Y755 WeakPolarHBondContact O-CD2 3.36Å; A751-Y755 PolarHBondContact O-N 2.7Å; Y755-E757 VanDerWaalsContact C-N 3.33Å; Y755-E757 PolarHBondContact O-N 2.82Å | ||
| 756 | R | 74.9 | Confident | 88.4 | Confident | 254 Ų | 254 | 62.7 Ų | 62.7 | 96% | 0.958 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -67.8 | -30.4 | -176.4 | -78.2 | -175 | 168.7 | -171 | -3.9 | 114.3 | ||
| 757 | E | 84.6 | Confident | 87.7 | Confident | 144 Ų | 144 | 65 Ų | 65 | 67% | 0.673 | 30% | 0.297 | S | S | * | . | trans | -134.3 | 104.5 | -174.8 | -71.1 | 171.7 | 178 | 0 | 0 | 107.4 | F656 Y755 | F656-E757 HydrophobicContact CD1-CB 4.08Å; F656-E757 HydrophobicContact CE1-CB 3.94Å; Y755-E757 VanDerWaalsContact C-N 3.33Å; Y755-E757 PolarHBondContact O-N 2.82Å | ||
| 758 | V | 91.4 | Very high | 86.1 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | trans | -104.6 | 118.6 | 177.4 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | I624 F656 V657 L748 A751 L752 V760 | I624-V758 HydrophobicContact CG2-CG1 3.84Å; F656-V758 WeakPolarHBondContact CA-O 3.4Å; V657-V758 PolarHBondContact N-O 3.26Å; L748-V758 HydrophobicContact CD1-CG1 3.98Å; A751-V758 HydrophobicContact CB-CG1 4.33Å; A751-V758 HydrophobicContact CB-CG2 4.11Å; A751-V758 WeakPolarHBondContact O-CG2 3.41Å; L752-V758 HydrophobicContact CD2-CB 3.76Å; L752-V758 HydrophobicContact CD2-CG2 3.81Å; L752-V758 HydrophobicContact CG-CB 4.16Å; L752-V758 HydrophobicContact CG-CG2 4.02Å; V758-V760 HydrophobicContact CG1-CG1 4.38Å | ||
| 759 | E | 92.9 | Very high | 84.1 | Confident | 29 Ų | 29 | 78.6 Ų | 78.6 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.8 | 179.4 | -164.1 | -170.5 | -163.2 | 0 | 0 | 109.6 | V625 S626 R654 G655 F656 | V625-E759 HydrophobicContact CG2-CB 3.89Å; V625-E759 HydrophobicContact CG2-CG 3.74Å; V625-E759 WeakPolarHBondContact CG2-O 3.18Å; V625-E759 WeakPolarHBondContact CG2-OE2 3.23Å; V625-E759 PolarHBondContact N-O 2.85Å; S626-E759 PolarHBondContact N-O 2.88Å; S626-E759 PolarHBondContact OG-N 2.94Å; R654-E759 HydrophobicContact CG-CG 4.34Å; R654-E759 WeakPolarHBondContact CG-OE1 3.16Å; R654-E759 IonicContact CZ-OE1 2.76Å; R654-E759 IonicContact CZ-OE2 2.79Å; R654-E759 IonicContact NE-OE1 2.69Å; R654-E759 PolarHBondContact NE-OE1 3.01Å; R654-E759 IonicContact NE-OE2 2.75Å; R654-E759 PolarHBondContact NE-OE2 3.24Å; R654-E759 IonicContact NH2-OE1 3.4Å; R654-E759 PolarHBondContact NH2-OE1 3.19Å; R654-E759 IonicContact NH2-OE2 3.68Å; R654-E759 PolarHBondContact NH2-OE2 3.49Å; G655-E759 WeakPolarHBondContact O-CA 3.32Å; F656-E759 HydrophobicContact CD1-CB 3.84Å; F656-E759 HydrophobicContact CD1-CG 4.24Å; F656-E759 HydrophobicContact CE1-CB 3.84Å; F656-E759 HydrophobicContact CE1-CG 4.26Å |
| 760 | V | 94.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 152.5 | 178.5 | -56.5 | 0 | 0 | 0 | 0 | 112 | I622 Q623 I624 R654 G655 V657 I679 I705 L748 V758 L762 | I622-V760 HydrophobicContact CG2-CB 4.05Å; I622-V760 HydrophobicContact CG2-CG1 4.27Å; I622-V760 HydrophobicContact CG2-CG2 4.38Å; Q623-V760 CarbonylContact O-C 3.58Å; Q623-V760 WeakPolarHBondContact O-CA 3.13Å; I624-V760 HydrophobicContact CG1-CG1 4.27Å; R654-V760 WeakPolarHBondContact CA-O 3.36Å; G655-V760 PolarHBondContact N-O 3.09Å; G655-V760 PolarHBondContact O-N 3.14Å; V657-V760 HydrophobicContact CG2-CB 4.15Å; V657-V760 HydrophobicContact CG2-CG1 3.67Å; V657-V760 HydrophobicContact CG2-CG2 3.42Å; V657-V760 VanDerWaalsContact CG2-CG2 3.42Å; I679-V760 HydrophobicContact CD1-CG2 3.61Å; I705-V760 HydrophobicContact CD1-CG2 4.2Å; L748-V760 HydrophobicContact CD1-CG1 3.84Å; V758-V760 HydrophobicContact CG1-CG1 4.38Å; V760-L762 HydrophobicContact CG2-CD2 4.01Å |
| 761 | L | 92.8 | Very high | 78.9 | Confident | 16 Ų | 16 | 79.6 Ų | 79.6 | 8% | 0.084 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.2 | 166.2 | 174.7 | 65.4 | 0 | 0 | 0 | 108.9 | I622 Q623 V625 R654 R767 | I622-L761 WeakPolarHBondContact CA-O 3.32Å; Q623-L761 HydrophobicContact CB-CB 4.47Å; Q623-L761 PolarHBondContact N-O 3.45Å; Q623-L761 PolarHBondContact O-N 2.82Å; V625-L761 HydrophobicContact CG1-CB 4Å; R654-L761 HydrophobicContact CB-CD1 4.13Å; L761-R767 HydrophobicContact CD2-CG 4.49Å |
| 762 | L | 92.7 | Very high | 76.2 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117.8 | 166.7 | -42.9 | -178.9 | 0 | 0 | 0 | 107.8 | I622 L646 G652 V653 I679 I705 P736 L738 V760 | I622-L762 HydrophobicContact CD1-CD2 4.16Å; I622-L762 HydrophobicContact CG1-CD2 3.87Å; I622-L762 HydrophobicContact CG2-CD2 4.16Å; L646-L762 HydrophobicContact CD1-CB 4.02Å; G652-L762 WeakPolarHBondContact CA-O 3.41Å; V653-L762 HydrophobicContact CB-CB 4.47Å; V653-L762 PolarHBondContact N-O 2.85Å; V653-L762 PolarHBondContact O-N 3.33Å; I679-L762 HydrophobicContact CD1-CD1 4.07Å; I679-L762 HydrophobicContact CD1-CD2 4.33Å; I679-L762 HydrophobicContact CD1-CG 3.95Å; I679-L762 HydrophobicContact CG1-CD1 4.49Å; I679-L762 HydrophobicContact CG2-CD1 4.3Å; I705-L762 HydrophobicContact CD1-CD2 4Å; I705-L762 HydrophobicContact CG1-CD2 4.06Å; P736-L762 HydrophobicContact CG-CD1 4.41Å; L738-L762 HydrophobicContact CD1-CB 4.04Å; L738-L762 HydrophobicContact CD1-CD2 4.23Å; V760-L762 HydrophobicContact CG2-CD2 4.01Å |
| 763 | S | 90.2 | Very high | 73.5 | Confident | 1 Ų | 1 | 91.2 Ų | 91.2 | 1% | 0.007 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 167.9 | -176.2 | 58 | 0 | 0 | 0 | 0 | 112.4 | A621 K765 | A621-S763 PolarHBondContact N-O 3.47Å; A621-S763 PolarHBondContact O-N 2.85Å; S763-K765 WeakPolarHBondContact CB-O 3.28Å; S763-K765 PolarHBondContact OG-O 3.32Å |
| 764 | D | 84.8 | Confident | 70.6 | Confident | 33 Ų | 33 | 93 Ų | 93 | 18% | 0.176 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -66.8 | -63.9 | 173.7 | -165 | 10.5 | 0 | 0 | 0 | 110.6 | R620 A621 S647 | R620-D764 WeakPolarHBondContact CA-O 3.45Å; R620-D764 WeakPolarHBondContact CD-OD1 3.38Å; R620-D764 IonicContact CZ-OD1 2.83Å; R620-D764 IonicContact NE-OD1 3.1Å; R620-D764 IonicContact NH1-OD1 3.63Å; R620-D764 PolarHBondContact NH1-OD1 3.48Å; R620-D764 IonicContact NH2-OD1 3.41Å; A621-D764 PolarHBondContact N-O 2.77Å; S647-D764 VanDerWaalsContact CA-OD2 3.28Å; S647-D764 WeakPolarHBondContact CA-OD2 3.49Å; S647-D764 WeakPolarHBondContact CB-OD2 3.46Å |
| 765 | K | 83.3 | Confident | 67.8 | Low | 108 Ų | 108 | 95 Ų | 95 | 47% | 0.47 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -107.4 | 162.3 | 173 | -59.2 | 173.7 | -172.3 | 171.6 | 0 | 110.2 | S763 E883 | S763-K765 WeakPolarHBondContact CB-O 3.28Å; S763-K765 PolarHBondContact OG-O 3.32Å; K765-E883 WeakPolarHBondContact CE-OE1 3.18Å; K765-E883 IonicContact NZ-OE1 2.75Å; K765-E883 PolarHBondContact NZ-OE1 2.8Å |
| 766 | A | 80.6 | Confident | 65 | Low | 51 Ų | 51 | 101.1 Ų | 101.1 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | trans | -66.4 | 147.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A621 V634 | A621-A766 HydrophobicContact CB-CB 4.28Å; V634-A766 HydrophobicContact CG1-CB 3.73Å; V634-A766 HydrophobicContact CG2-CB 4.15Å | ||
| 767 | R | 77.8 | Confident | 62.6 | Low | 96 Ų | 96 | 98 Ų | 98 | 36% | 0.362 | 51% | 0.51 | S | S | . | . | trans | -108.8 | 135.1 | 179.6 | -62.8 | -171.3 | 178.9 | 163.2 | 2.2 | 112 | Q623 S650 T651 L761 | Q623-R767 PolarHBondContact NE2-O 3.48Å; S650-R767 PolarHBondContact O-NH2 2.89Å; T651-R767 PolarHBondContact O-NH1 3.44Å; T651-R767 PolarHBondContact O-NH2 3.16Å; L761-R767 HydrophobicContact CD2-CG 4.49Å | ||
| 768 | D | 56.1 | Low | 59.9 | Low | 164 Ų | 164 | 99.9 Ų | 99.9 | 88% | 0.877 | 52% | 0.519 | S | S | * | . | trans | -82.7 | 152.6 | 172.2 | -73.8 | -48.2 | 0 | 0 | 0 | 112.4 | G770 | D768-G770 PolarHBondContact O-N 3.14Š| ||
| 769 | R | 49.4 | Very low | 56.7 | Low | 198 Ų | 198 | 106.2 Ų | 106.2 | 75% | 0.747 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -82.7 | 97.8 | 178.7 | -81.7 | 178.6 | 141.4 | -138.8 | -10.3 | 110.8 | F630 | F630-R769 PolarHBondContact O-NE 2.76Å; F630-R769 VanDerWaalsContact O-NE 3.14Å |
| 770 | G | 39.2 | Very low | 53.3 | Low | 81 Ų | 81 | 110.5 Ų | 110.5 | 84% | 0.835 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -157.9 | -21.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | D768 | D768-G770 PolarHBondContact O-N 3.14Š|
| 771 | A | 34.5 | Very low | 50 | Low | 90 Ų | 90 | 117.6 Ų | 117.6 | 74% | 0.744 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -95.3 | -38.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V773 | A771-V773 PolarHBondContact O-N 2.89Š|
| 772 | D | 32.2 | Very low | 46.7 | Very low | 158 Ų | 158 | 122.7 Ų | 122.7 | 85% | 0.845 | 65% | 0.65 | S | S | * | * | trans | -96.6 | 75.4 | -167.5 | -63.5 | -41.3 | 0 | 0 | 0 | 113.4 | ||||
| 773 | V | 31.7 | Very low | 43.5 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | trans | -141.8 | 83.5 | 154.5 | -171.3 | 0 | 0 | 0 | 0 | 110 | A771 | A771-V773 PolarHBondContact O-N 2.89Š| ||
| 774 | Q | 27.5 | Very low | 40.3 | Very low | 193 Ų | 193 | 136.6 Ų | 136.6 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | trans | -128.5 | 136.7 | 151 | -74.3 | -169.8 | -26.6 | 0 | 0 | 107.5 | ||||
| 775 | E | 28 | Very low | 37.5 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -84.9 | 139.5 | -171.7 | -64 | 173.7 | 124.3 | 0 | 0 | 110.5 | E777 | E775-E777 PolarHBondContact O-N 3.47Š| ||
| 776 | E | 25.8 | Very low | 34.6 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -77.4 | 87.1 | 178.9 | -67.3 | -179.2 | 132.3 | 0 | 0 | 110.9 | E778 | E776-E778 PolarHBondContact O-N 2.9Š| ||
| 777 | E | 24.8 | Very low | 32.5 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -76.6 | 95.2 | 163.8 | -73.7 | -161.3 | 131.7 | 0 | 0 | 110.6 | E775 D779 | E775-E777 PolarHBondContact O-N 3.47Å; E777-D779 PolarHBondContact O-N 3.27Å | ||
| 778 | E | 27.1 | Very low | 29.9 | Very low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -70.6 | 84.1 | 169.9 | -71 | -166.4 | 119.6 | 0 | 0 | 112.2 | E776 C780 | E776-E778 PolarHBondContact O-N 2.9Å; E778-C780 PolarHBondContact O-N 2.98Å | ||
| 779 | D | 24.4 | Very low | 28.4 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -79.1 | 96.4 | 165.8 | -169.8 | 5.6 | 0 | 0 | 0 | 110.6 | E777 Q781 | E777-D779 PolarHBondContact O-N 3.27Å; D779-Q781 PolarHBondContact OD1-NE2 3.32Å; D779-Q781 VanDerWaalsContact OD1-NE2 3.15Å | ||
| 780 | C | 22.2 | Very low | 27.1 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -106.3 | 103.9 | -173 | -155.4 | 0 | 0 | 0 | 0 | 112.6 | E778 | E778-C780 PolarHBondContact O-N 2.98Š| ||
| 781 | Q | 24.1 | Very low | 26.5 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 70% | 0.696 | 81% | 0.812 | S | S | * | * | trans | -135.8 | 131.6 | 177.3 | -75.9 | -176.7 | 64.5 | 0 | 0 | 109.7 | D779 | D779-Q781 PolarHBondContact OD1-NE2 3.32Å; D779-Q781 VanDerWaalsContact OD1-NE2 3.15Å | ||
| 782 | T | 24.6 | Very low | 26.8 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | cis | -154.8 | 154.7 | 0.3 | 28.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 783 | E | 24.8 | Very low | 26.4 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 95% | 0.949 | 81% | 0.811 | S | S | * | * | -156.1 | 158.4 | 128.3 | -121.5 | 179.8 | -155.7 | 0 | 0 | 110.7 | |||||
| 784 | A | 24 | Very low | 26.1 | Very low | 90 Ų | 90 | 148 Ų | 148 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -113.4 | 137.3 | -157 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 785 | T | 24.9 | Very low | 26 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | trans | -161.2 | 142.5 | 137.8 | 2.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 786 | T | 22.5 | Very low | 25.9 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -122 | 177.2 | 178.3 | 35.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 787 | P | 36.8 | Very low | 25.9 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | cis | -132.4 | 172.5 | -25.4 | 33.4 | -16.8 | 0 | 0 | 0 | 113.6 | ||||
| 788 | T | 24.1 | Very low | 25.9 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | 157 | 151.8 | 144 | 35.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 789 | S | 23.2 | Very low | 25.7 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | cis | -174.9 | 163.8 | -21.8 | 47.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 790 | F | 23.7 | Very low | 25.9 | Very low | 194 Ų | 194 | 136 Ų | 136 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | 82.7 | 98.8 | 169.4 | -65.5 | -77.3 | 0 | 0 | 0 | 120 | ||||
| 791 | E | 25.7 | Very low | 26.2 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | 6.9 | 164.1 | 123.2 | -75.7 | -165.1 | 147.9 | 0 | 0 | 123.6 | |||||
| 792 | P | 41.7 | Very low | 26.4 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -126.5 | -179.1 | -149.1 | 45.4 | -31.8 | 0 | 0 | 0 | 116.2 | ||||
| 793 | D | 23.6 | Very low | 26.6 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -170.4 | 149.6 | 148.5 | -106.5 | -28.6 | 0 | 0 | 0 | 106.9 | ||||
| 794 | S | 24.7 | Very low | 26.6 | Very low | 85 Ų | 85 | 137 Ų | 137 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | cis | -160.9 | -163.8 | -5.3 | 50.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 795 | Q | 26.3 | Very low | 26.9 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | cis | -161.6 | -150.5 | 13.4 | -146.4 | 164.6 | 113.8 | 0 | 0 | 111.2 | ||||
| 796 | S | 25.8 | Very low | 26.9 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | -79.4 | 171.7 | -179.9 | 48 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 797 | Q | 25.5 | Very low | 27.2 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | cis | 174.5 | 168.3 | -23.1 | -165.5 | 176.6 | 10.5 | 0 | 0 | 107.8 | ||||
| 798 | M | 24.1 | Very low | 27.9 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 68.4 | 168.6 | 167.4 | -68.4 | 176.6 | 63.7 | 0 | 0 | 117.7 | ||||
| 799 | S | 24.2 | Very low | 27.9 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | 177.3 | 164.6 | -57.6 | 55.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 800 | T | 27.5 | Very low | 28.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | -82.5 | 154.6 | -173.5 | 45 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 801 | E | 28.3 | Very low | 28.3 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | 171 | 138.4 | 122.4 | -93.4 | 168.7 | -174.7 | 0 | 0 | 114.5 | |||||
| 802 | E | 29.4 | Very low | 28.4 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 54.6 | 161 | 143.7 | -63.6 | -159.5 | 158.4 | 0 | 0 | 122.6 | ||||
| 803 | L | 28.6 | Very low | 28.6 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | cis | -156.4 | -158.4 | 4.7 | -131.4 | 168.8 | 0 | 0 | 0 | 112.2 | ||||
| 804 | D | 24.9 | Very low | 28.9 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 78 | 146.7 | 166.6 | -69.5 | -3.8 | 0 | 0 | 0 | 120.7 | ||||
| 805 | E | 29.4 | Very low | 29.1 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | cis | -165 | 159.2 | -27.3 | -154.1 | -168.8 | -162.3 | 0 | 0 | 111 | ||||
| 806 | S | 25.6 | Very low | 29.3 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 81.9 | 156 | 154.4 | 82.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 807 | A | 27.7 | Very low | 29.5 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -163.8 | -172.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 808 | P | 51.1 | Low | 29.5 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | -132.2 | -171.3 | -11 | 43.9 | -27.5 | 0 | 0 | 0 | 113.5 | ||||
| 809 | E | 25.2 | Very low | 29.6 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | 179.8 | 162.1 | 127.3 | -103.3 | -175 | 175.7 | 0 | 0 | 113.1 | |||||
| 810 | E | 28.7 | Very low | 31.1 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -105.3 | 174.1 | -179.9 | -59.4 | 179.6 | 107.3 | 0 | 0 | 112.6 | ||||
| 811 | V | 25.3 | Very low | 31.2 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | 168.5 | 139.6 | 128.6 | 152.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 812 | T | 29.7 | Very low | 31.4 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -133.4 | 159.1 | 159.6 | 62.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 813 | P | 45.1 | Very low | 31.4 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | -164.6 | -162.7 | 88.9 | 43.9 | -21.3 | 0 | 0 | 0 | 117.2 | |||||
| 814 | A | 29.3 | Very low | 31.4 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | 77.6 | 126 | 160 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 815 | Q | 30.1 | Very low | 31.4 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | 83.7 | 149.2 | 50.2 | -68.8 | -179.8 | -71.6 | 0 | 0 | 113.9 | |||||
| 816 | E | 29.9 | Very low | 31.3 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | cis | -146.3 | -171.6 | -0.4 | -146.1 | 98.2 | -97.3 | 0 | 0 | 107.6 | ||||
| 817 | E | 29.1 | Very low | 31.4 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | cis | -144 | -149.1 | 4.5 | -155 | -145.3 | 135 | 0 | 0 | 107.1 | ||||
| 818 | V | 25.3 | Very low | 31.3 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | cis | -151.3 | 153.8 | 13.9 | -171 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 819 | S | 26.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -110.4 | -136.6 | 172.5 | -48.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 820 | P | 56.7 | Low | 30.2 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | cis | -118.3 | -176 | -11.5 | 29.3 | -4.3 | 0 | 0 | 0 | 112.5 | ||||
| 821 | V | 29.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | -176.2 | 156.9 | 55.2 | 169.8 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 822 | A | 31.7 | Very low | 30.2 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 65% | 0.653 | 71% | 0.711 | S | S | * | * | cis | -171.2 | -158.1 | -26.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 823 | E | 29.2 | Very low | 30 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | cis | -163.1 | 127 | 2.6 | -153.6 | 160.3 | -71.8 | 0 | 0 | 111.2 | ||||
| 824 | V | 29.7 | Very low | 29.3 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | trans | 47.4 | 131.1 | 141.4 | -166.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 825 | I | 25.1 | Very low | 30.2 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | -167.6 | 121 | 86.8 | -76.2 | 169.2 | 0 | 0 | 0 | 106.4 | |||||
| 826 | K | 26.9 | Very low | 30.1 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | 63.4 | 143.7 | 84.9 | -75.3 | -178.5 | 149.5 | -131.7 | 0 | 115.4 | |||||
| 827 | E | 26.8 | Very low | 30 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 56% | 0.556 | 71% | 0.707 | S | S | * | * | cis | -162.8 | 153 | 5.1 | -124.9 | 157.5 | 172 | 0 | 0 | 112.8 | ||||
| 828 | E | 26.6 | Very low | 29.9 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | 53.2 | 173 | 147.8 | -71.1 | 163.5 | -172.9 | 0 | 0 | 122.3 | ||||
| 829 | E | 27.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | -157.6 | -178.2 | -67.5 | -103.7 | -123 | 72.2 | 0 | 0 | 106.9 | K831 | E829-K831 IonicContact OE1-NZ 2.69Å; E829-K831 PolarHBondContact OE1-NZ 3.09Å; E829-K831 IonicContact OE2-NZ 3.13Å; E829-K831 PolarHBondContact OE2-NZ 3.3Å | |||
| 830 | E | 26.3 | Very low | 29.9 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | cis | -148.4 | 152.5 | 16.3 | -143.3 | -159.3 | 165.7 | 0 | 0 | 114.8 | ||||
| 831 | K | 26 | Very low | 28.6 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 55% | 0.548 | 73% | 0.725 | S | S | . | * | trans | 6 | 129.8 | 147.4 | -65.4 | 176.4 | -146.8 | 69.5 | 0 | 121 | E829 | E829-K831 IonicContact OE1-NZ 2.69Å; E829-K831 PolarHBondContact OE1-NZ 3.09Å; E829-K831 IonicContact OE2-NZ 3.13Å; E829-K831 PolarHBondContact OE2-NZ 3.3Å | ||
| 832 | A | 26.8 | Very low | 28.9 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | 90.1 | 164.5 | 93.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 833 | V | 25.9 | Very low | 28.7 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | cis | -148.2 | 155.4 | 31.2 | 172 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 834 | D | 30.7 | Very low | 28.6 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -128.6 | 150.9 | 166 | -173 | 41 | 0 | 0 | 0 | 107.6 | ||||
| 835 | P | 46.9 | Very low | 28.3 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 57% | 0.571 | 73% | 0.734 | S | S | * | * | -161.7 | 175.4 | 90.7 | 45.2 | -24.9 | 0 | 0 | 0 | 119.2 | |||||
| 836 | Q | 28.5 | Very low | 28.3 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | 73.3 | 147.6 | 150.9 | -75.3 | 167.3 | 7.6 | 0 | 0 | 119.7 | ||||
| 837 | A | 27.8 | Very low | 28.3 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -169.7 | 161.5 | -13.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 838 | E | 27.3 | Very low | 28.2 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | 62.5 | 161 | 156.5 | -72.6 | -176.1 | -161.1 | 0 | 0 | 119.1 | ||||
| 839 | T | 25.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | cis | -153.3 | 161.7 | -6.8 | 4.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 840 | A | 27.3 | Very low | 28.1 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | 70.2 | 151.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 841 | R | 28.6 | Very low | 28 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -104.5 | 166.4 | 163.1 | -64.8 | 178 | 175.4 | 173.9 | -2.9 | 110 | ||||
| 842 | P | 35.8 | Very low | 28 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | -143.2 | -153.6 | 113.6 | 38 | -21.8 | 0 | 0 | 0 | 115.1 | |||||
| 843 | K | 26.6 | Very low | 27.8 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | -121.9 | 167.8 | -153 | -45.8 | 171 | 75.2 | -146.3 | 0 | 115 | ||||
| 844 | E | 26.7 | Very low | 28.8 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | 54.4 | 125.6 | 140.8 | -72.3 | 155.2 | 167 | 0 | 0 | 123.5 | ||||
| 845 | E | 24.2 | Very low | 28.5 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | 173.4 | 139.6 | 122.2 | -90.2 | 179 | 169.2 | 0 | 0 | 107.7 | |||||
| 846 | R | 25.4 | Very low | 27.4 | Very low | 215 Ų | 215 | 153.3 Ų | 153.3 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | 62.7 | 138.5 | 64.7 | -77.3 | -159.6 | 177.1 | -159.2 | 2 | 114.2 | |||||
| 847 | D | 26 | Very low | 27.2 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 65% | 0.647 | 78% | 0.782 | S | S | * | * | cis | -139.2 | 162.6 | -2.4 | -83.1 | -47.1 | 0 | 0 | 0 | 109.1 | ||||
| 848 | S | 25.2 | Very low | 27.1 | Very low | 117 Ų | 117 | 154.6 Ų | 154.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | 157.9 | 165 | 89.4 | 46.6 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 849 | E | 27 | Very low | 27.1 | Very low | 167 Ų | 167 | 153.9 Ų | 153.9 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | cis | 172 | 154.5 | -25 | -161.1 | -169.6 | -153.5 | 0 | 0 | 105.8 | ||||
| 850 | K | 25.4 | Very low | 27.2 | Very low | 194 Ų | 194 | 153 Ų | 153 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 111.7 | 94.1 | -178.3 | -68 | 164.9 | -176.4 | 169.8 | 0 | 112.7 | ||||
| 851 | T | 24.5 | Very low | 27.5 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | cis | 78.6 | 96.9 | 34.2 | -38.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 852 | Q | 25.2 | Very low | 27.8 | Very low | 202 Ų | 202 | 148 Ų | 148 | 94% | 0.944 | 78% | 0.784 | S | S | * | * | trans | -148.7 | 147.4 | 144.6 | -115.4 | 175.5 | 2.2 | 0 | 0 | 110 | ||||
| 853 | E | 23.8 | Very low | 28.1 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -149.2 | -179.5 | -163.4 | -129.2 | -168.6 | -138.6 | 0 | 0 | 106.7 | ||||
| 854 | P | 46.2 | Very low | 28.9 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 56% | 0.558 | 76% | 0.755 | S | S | * | * | cis | -138.7 | -174.1 | -14.8 | 39.4 | -21.4 | 0 | 0 | 0 | 114.8 | ||||
| 855 | R | 25 | Very low | 29.9 | Very low | 247 Ų | 247 | 140.6 Ų | 140.6 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | 69.2 | 148.5 | 166.6 | -55.2 | 168.6 | -175.6 | -178.2 | -1.1 | 115 | ||||
| 856 | G | 23.7 | Very low | 30.7 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | cis | 168 | 164.6 | 3.9 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 857 | D | 23.8 | Very low | 31.5 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | cis | -146.3 | 173.8 | 5.9 | -95.6 | -47.7 | 0 | 0 | 0 | 109.6 | ||||
| 858 | T | 26.3 | Very low | 32.2 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | 0.9 | 132.9 | 161.3 | 57.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 859 | D | 26.3 | Very low | 32.9 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 87% | 0.866 | 70% | 0.697 | S | S | * | * | -147.5 | 159 | 101.8 | -140.5 | -24.6 | 0 | 0 | 0 | 111.2 | |||||
| 860 | S | 29.1 | Very low | 33.8 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | trans | -150.1 | 114.6 | -172.1 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 861 | S | 32.5 | Very low | 34.6 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -105.4 | 83.2 | 173 | 59 | 0 | 0 | 0 | 0 | 111.4 | Q863 | S861-Q863 PolarHBondContact O-N 3.03Š| ||
| 862 | S | 35.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | trans | -77.1 | 103.7 | 163.1 | 54.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 863 | Q | 42 | Very low | 36.3 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 59% | 0.593 | 64% | 0.637 | S | S | * | * | trans | -58.6 | 145.8 | 172 | -73.4 | 174.2 | -80.6 | 0 | 0 | 110.4 | S861 | S861-Q863 PolarHBondContact O-N 3.03Š| ||
| 864 | S | 42.9 | Very low | 37.2 | Very low | 50 Ų | 50 | 116.2 Ų | 116.2 | 35% | 0.35 | 63% | 0.631 | S | S | . | * | trans | -78.9 | 155.6 | 179.8 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | D866 E867 L868 | S864-D866 PolarHBondContact O-N 3.19Å; S864-E867 WeakPolarHBondContact CB-OE2 3.42Å; S864-E867 PolarHBondContact N-OE2 3.33Å; S864-E867 PolarHBondContact O-N 2.97Å; S864-E867 VanDerWaalsContact OG-CD 3.31Å; S864-E867 WeakPolarHBondContact OG-CG 3.42Å; S864-E867 PolarHBondContact OG-N 3.48Å; S864-E867 PolarHBondContact OG-OE2 3.31Å; S864-L868 PolarHBondContact O-N 3.05Å | ||
| 865 | V | 47.3 | Very low | 37 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63 | -30.2 | 177 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | L868 L869 | V865-L868 PolarHBondContact O-N 3.41Å; V865-L869 HydrophobicContact CG1-CD1 4.02Å; V865-L869 HydrophobicContact CG1-CG 4.36Å; V865-L869 WeakPolarHBondContact O-CB 3.09Å; V865-L869 VanDerWaalsContact O-CG 3.25Å; V865-L869 WeakPolarHBondContact O-CG 3.22Å; V865-L869 PolarHBondContact O-N 2.81Å |
| 866 | D | 41.3 | Very low | 37.7 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 65% | 0.647 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.1 | -32.2 | 176.6 | -66.8 | -54.9 | 0 | 0 | 0 | 113.5 | S864 A870 | S864-D866 PolarHBondContact O-N 3.19Å; D866-A870 PolarHBondContact O-N 3.23Å |
| 867 | E | 41.9 | Very low | 38.6 | Very low | 94 Ų | 94 | 112.9 Ų | 112.9 | 44% | 0.439 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.8 | -46.1 | 172.2 | -72.1 | 161.9 | 125.1 | 0 | 0 | 110.9 | S864 L869 A870 D871 | S864-E867 WeakPolarHBondContact CB-OE2 3.42Å; S864-E867 PolarHBondContact N-OE2 3.33Å; S864-E867 PolarHBondContact O-N 2.97Å; S864-E867 VanDerWaalsContact OG-CD 3.31Å; S864-E867 WeakPolarHBondContact OG-CG 3.42Å; S864-E867 PolarHBondContact OG-N 3.48Å; S864-E867 PolarHBondContact OG-OE2 3.31Å; E867-L869 PolarHBondContact O-N 3.16Å; E867-A870 WeakPolarHBondContact O-CA 3.38Å; E867-A870 VanDerWaalsContact O-CB 3.3Å; E867-A870 WeakPolarHBondContact O-CB 3.48Å; E867-A870 PolarHBondContact O-N 3.38Å; E867-D871 PolarHBondContact O-N 3.46Å |
| 868 | L | 41.8 | Very low | 39.2 | Very low | 89 Ų | 89 | 107.8 Ų | 107.8 | 47% | 0.466 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.4 | -34.2 | 174.6 | -75.3 | 165.9 | 0 | 0 | 0 | 112.5 | S864 V865 A870 W872 | S864-L868 PolarHBondContact O-N 3.05Å; V865-L868 PolarHBondContact O-N 3.41Å; L868-A870 VanDerWaalsContact C-N 3.35Å; L868-W872 WeakPolarHBondContact O-CB 3.37Å; L868-W872 PolarHBondContact O-N 3.34Å; L868-W872 VanDerWaalsContact O-N 3.12Å |
| 869 | L | 39.4 | Very low | 39.5 | Very low | 81 Ų | 81 | 109.2 Ų | 109.2 | 42% | 0.424 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.8 | -20.2 | 172.3 | -71.5 | 170.5 | 0 | 0 | 0 | 112.9 | V865 E867 R873 | V865-L869 HydrophobicContact CG1-CD1 4.02Å; V865-L869 HydrophobicContact CG1-CG 4.36Å; V865-L869 WeakPolarHBondContact O-CB 3.09Å; V865-L869 VanDerWaalsContact O-CG 3.25Å; V865-L869 WeakPolarHBondContact O-CG 3.22Å; V865-L869 PolarHBondContact O-N 2.81Å; E867-L869 PolarHBondContact O-N 3.16Å; L869-R873 WeakPolarHBondContact O-CG 3.42Å; L869-R873 PolarHBondContact O-N 3.03Å; L869-R873 PolarHBondContact O-NE 3.26Å; L869-R873 PolarHBondContact O-NH2 3.36Å; L869-R873 VanDerWaalsContact O-NH2 3.07Å |
| 870 | A | 45.4 | Very low | 39.8 | Very low | 45 Ų | 45 | 106.5 Ų | 106.5 | 37% | 0.372 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.5 | -52.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D866 E867 L868 W872 R873 E874 | D866-A870 PolarHBondContact O-N 3.23Å; E867-A870 WeakPolarHBondContact O-CA 3.38Å; E867-A870 VanDerWaalsContact O-CB 3.3Å; E867-A870 WeakPolarHBondContact O-CB 3.48Å; E867-A870 PolarHBondContact O-N 3.38Å; L868-A870 VanDerWaalsContact C-N 3.35Å; A870-W872 VanDerWaalsContact C-N 3.3Å; A870-W872 PolarHBondContact O-N 3.25Å; A870-R873 PolarHBondContact O-N 3.05Å; A870-E874 PolarHBondContact O-N 3.3Å |
| 871 | D | 43 | Very low | 40 | Very low | 81 Ų | 81 | 106.2 Ų | 106.2 | 43% | 0.433 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -51.7 | -49.5 | 173.5 | -68.3 | 0.1 | 0 | 0 | 0 | 110.5 | E867 R873 E874 D875 | E867-D871 PolarHBondContact O-N 3.46Å; D871-R873 PolarHBondContact O-N 2.83Å; D871-R873 VanDerWaalsContact O-N 3.12Å; D871-E874 PolarHBondContact O-N 2.98Å; D871-E874 VanDerWaalsContact O-N 3.09Å; D871-D875 PolarHBondContact O-N 3.09Å |
| 872 | W | 44.2 | Very low | 40 | Very low | 176 Ų | 176 | 106.4 Ų | 106.4 | 67% | 0.667 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.2 | -19.1 | 177.5 | -107.7 | 79.9 | 0 | 0 | 0 | 115.2 | L868 A870 L876 | L868-W872 WeakPolarHBondContact O-CB 3.37Å; L868-W872 PolarHBondContact O-N 3.34Å; L868-W872 VanDerWaalsContact O-N 3.12Å; A870-W872 VanDerWaalsContact C-N 3.3Å; A870-W872 PolarHBondContact O-N 3.25Å; W872-L876 HydrophobicContact CE3-CD1 4.26Å; W872-L876 HydrophobicContact CZ3-CD1 4.38Å; W872-L876 WeakPolarHBondContact O-CB 3.39Å |
| 873 | R | 41.3 | Very low | 39.7 | Very low | 146 Ų | 146 | 105.6 Ų | 105.6 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -88 | -37 | 173.3 | -79.2 | 175.5 | -70.7 | -124.7 | -3.4 | 111.2 | L869 A870 D871 L876 E877 | L869-R873 WeakPolarHBondContact O-CG 3.42Å; L869-R873 PolarHBondContact O-N 3.03Å; L869-R873 PolarHBondContact O-NE 3.26Å; L869-R873 PolarHBondContact O-NH2 3.36Å; L869-R873 VanDerWaalsContact O-NH2 3.07Å; A870-R873 PolarHBondContact O-N 3.05Å; D871-R873 PolarHBondContact O-N 2.83Å; D871-R873 VanDerWaalsContact O-N 3.12Å; R873-L876 CarbonylContact O-C 3.59Å; R873-L876 PolarHBondContact O-N 2.86Å; R873-E877 PolarHBondContact O-N 3.23Å |
| 874 | E | 42.2 | Very low | 39.1 | Very low | 148 Ų | 148 | 106 Ų | 106 | 69% | 0.692 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.7 | -42.3 | 177.9 | -156.6 | 157.2 | -149.8 | 0 | 0 | 110.9 | A870 D871 L876 E877 A878 | A870-E874 PolarHBondContact O-N 3.3Å; D871-E874 PolarHBondContact O-N 2.98Å; D871-E874 VanDerWaalsContact O-N 3.09Å; E874-L876 VanDerWaalsContact C-N 3.31Å; E874-L876 PolarHBondContact O-N 3.43Å; E874-E877 PolarHBondContact O-N 2.86Å; E874-A878 PolarHBondContact O-N 3.19Å |
| 875 | D | 42.3 | Very low | 38.6 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 60% | 0.599 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.2 | -40.1 | 169.7 | -84.6 | -21.9 | 0 | 0 | 0 | 112.5 | D871 E877 A878 F879 | D871-D875 PolarHBondContact O-N 3.09Å; D875-E877 VanDerWaalsContact C-N 3.33Å; D875-A878 PolarHBondContact O-N 2.75Å; D875-F879 WeakPolarHBondContact O-CB 3.39Å; D875-F879 PolarHBondContact O-N 2.78Å |
| 876 | L | 39.2 | Very low | 37.8 | Very low | 80 Ų | 80 | 112.8 Ų | 112.8 | 42% | 0.419 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -80.5 | -13.6 | -177.7 | -137 | 156.8 | 0 | 0 | 0 | 112.6 | W872 R873 E874 K880 | W872-L876 HydrophobicContact CE3-CD1 4.26Å; W872-L876 HydrophobicContact CZ3-CD1 4.38Å; W872-L876 WeakPolarHBondContact O-CB 3.39Å; R873-L876 CarbonylContact O-C 3.59Å; R873-L876 PolarHBondContact O-N 2.86Å; E874-L876 VanDerWaalsContact C-N 3.31Å; E874-L876 PolarHBondContact O-N 3.43Å; L876-K880 VanDerWaalsContact O-CD 3.25Å; L876-K880 WeakPolarHBondContact O-CD 3.26Å; L876-K880 WeakPolarHBondContact O-CE 3.21Å; L876-K880 VanDerWaalsContact O-CG 3.27Å; L876-K880 WeakPolarHBondContact O-CG 3.44Å; L876-K880 PolarHBondContact O-NZ 3.42Å |
| 877 | E | 41.9 | Very low | 37.1 | Very low | 139 Ų | 139 | 115 Ų | 115 | 65% | 0.65 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -85.8 | -38.8 | 164 | -70.8 | -164.4 | 159.9 | 0 | 0 | 111.4 | R873 E874 D875 F879 K880 Q881 | R873-E877 PolarHBondContact O-N 3.23Å; E874-E877 PolarHBondContact O-N 2.86Å; D875-E877 VanDerWaalsContact C-N 3.33Å; E877-F879 VanDerWaalsContact C-N 3.35Å; E877-F879 PolarHBondContact O-N 3.4Å; E877-K880 PolarHBondContact O-N 2.65Å; E877-Q881 WeakPolarHBondContact O-CB 3.31Å; E877-Q881 PolarHBondContact O-N 2.96Å |
| 878 | A | 36.5 | Very low | 36.8 | Very low | 52 Ų | 52 | 116 Ų | 116 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.4 | -44 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E874 D875 K880 Q881 M882 | E874-A878 PolarHBondContact O-N 3.19Å; D875-A878 PolarHBondContact O-N 2.75Å; A878-K880 PolarHBondContact O-N 3.14Å; A878-Q881 WeakPolarHBondContact O-CB 3.43Å; A878-Q881 PolarHBondContact O-N 3.45Å; A878-Q881 VanDerWaalsContact O-N 3.11Å; A878-M882 PolarHBondContact O-N 2.96Å |
| 879 | F | 33.4 | Very low | 36.6 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 67% | 0.671 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.9 | -39.1 | 177.5 | -146 | -82.4 | 0 | 0 | 0 | 112.7 | D875 E877 Q881 M882 E883 | D875-F879 WeakPolarHBondContact O-CB 3.39Å; D875-F879 PolarHBondContact O-N 2.78Å; E877-F879 VanDerWaalsContact C-N 3.35Å; E877-F879 PolarHBondContact O-N 3.4Å; F879-Q881 VanDerWaalsContact C-N 3.27Å; F879-Q881 PolarHBondContact O-N 2.59Å; F879-M882 PolarHBondContact O-N 2.98Å; F879-E883 PolarHBondContact O-N 3.1Å; F879-E883 VanDerWaalsContact O-N 3.13Å |
| 880 | K | 33.2 | Very low | 36.4 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 46% | 0.457 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.7 | -20.7 | 174.2 | -71.8 | 170.8 | -169.7 | 137.4 | 0 | 113.4 | L876 E877 A878 | L876-K880 VanDerWaalsContact O-CD 3.25Å; L876-K880 WeakPolarHBondContact O-CD 3.26Å; L876-K880 WeakPolarHBondContact O-CE 3.21Å; L876-K880 VanDerWaalsContact O-CG 3.27Å; L876-K880 WeakPolarHBondContact O-CG 3.44Å; L876-K880 PolarHBondContact O-NZ 3.42Å; E877-K880 PolarHBondContact O-N 2.65Å; A878-K880 PolarHBondContact O-N 3.14Å |
| 881 | Q | 32 | Very low | 35.9 | Very low | 93 Ų | 93 | 123.8 Ų | 123.8 | 44% | 0.435 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -81.1 | -41 | 174.3 | -168.4 | 57.5 | 36.5 | 0 | 0 | 110.3 | E877 A878 F879 E883 K884 D885 | E877-Q881 WeakPolarHBondContact O-CB 3.31Å; E877-Q881 PolarHBondContact O-N 2.96Å; A878-Q881 WeakPolarHBondContact O-CB 3.43Å; A878-Q881 PolarHBondContact O-N 3.45Å; A878-Q881 VanDerWaalsContact O-N 3.11Å; F879-Q881 VanDerWaalsContact C-N 3.27Å; F879-Q881 PolarHBondContact O-N 2.59Å; Q881-E883 PolarHBondContact O-N 3.3Å; Q881-K884 WeakPolarHBondContact O-CB 3.25Å; Q881-K884 PolarHBondContact O-N 2.97Å; Q881-K884 VanDerWaalsContact O-N 3.12Å; Q881-D885 PolarHBondContact O-N 3.07Å |
| 882 | M | 33.2 | Very low | 35.4 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 61% | 0.606 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -56.8 | -46.2 | 170.2 | -73 | 177.8 | 58.3 | 0 | 0 | 112.3 | A878 F879 K884 D885 E886 | A878-M882 PolarHBondContact O-N 2.96Å; F879-M882 PolarHBondContact O-N 2.98Å; M882-K884 PolarHBondContact O-N 2.69Å; M882-K884 VanDerWaalsContact O-N 3.08Å; M882-D885 PolarHBondContact O-N 3.11Å; M882-E886 PolarHBondContact O-N 3.14Å |
| 883 | E | 29.8 | Very low | 34.9 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 45% | 0.449 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -12.8 | 179.7 | -165.9 | 172.6 | -152.3 | 0 | 0 | 113.8 | K765 F879 Q881 | K765-E883 WeakPolarHBondContact CE-OE1 3.18Å; K765-E883 IonicContact NZ-OE1 2.75Å; K765-E883 PolarHBondContact NZ-OE1 2.8Å; F879-E883 PolarHBondContact O-N 3.1Å; F879-E883 VanDerWaalsContact O-N 3.13Å; Q881-E883 PolarHBondContact O-N 3.3Å |
| 884 | K | 28.8 | Very low | 34.4 | Very low | 137 Ų | 137 | 121.6 Ų | 121.6 | 60% | 0.596 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -90 | -26.1 | 171.6 | -82.5 | 173.2 | 178.7 | 162.7 | 0 | 114.4 | Q881 M882 | Q881-K884 WeakPolarHBondContact O-CB 3.25Å; Q881-K884 PolarHBondContact O-N 2.97Å; Q881-K884 VanDerWaalsContact O-N 3.12Å; M882-K884 PolarHBondContact O-N 2.69Å; M882-K884 VanDerWaalsContact O-N 3.08Å |
| 885 | D | 31.9 | Very low | 33.8 | Very low | 124 Ų | 124 | 119.5 Ų | 119.5 | 66% | 0.663 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -91.7 | -3.8 | -175 | -66.1 | -29.2 | 0 | 0 | 0 | 112 | Q881 M882 | Q881-D885 PolarHBondContact O-N 3.07Å; M882-D885 PolarHBondContact O-N 3.11Å |
| 886 | E | 31.7 | Very low | 33.1 | Very low | 173 Ų | 173 | 120.2 Ų | 120.2 | 81% | 0.808 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 10.9 | 171 | -65.1 | -163.9 | 141.9 | 0 | 0 | 114.8 | M882 | M882-E886 PolarHBondContact O-N 3.14Š|
| 887 | L | 25.8 | Very low | 32.5 | Very low | 167 Ų | 167 | 123.8 Ų | 123.8 | 87% | 0.874 | 60% | 0.603 | S | S | * | * | trans | -120.6 | 0 | -178.3 | -86.5 | 170.5 | 0 | 0 | 0 | 114 |
Retrieved 887 of 887 residues in 659.1 ms
(Link to these results)