| 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 | 58.5 | Low | 73.7 | Confident | 240 Ų | 240 | 161.1 Ų | 161.1 | 100% | 1.182 | 84% | 0.843 | S | S | * | * | 0 | 85.1 | 0 | -71.7 | -69.6 | 165.7 | 0 | 0 | 108.9 | A3 | M1-A3 PolarHBondContact O-N 2.96Š| |||
| 2 | S | 61.1 | Low | 75.3 | Confident | 119 Ų | 119 | 153.7 Ų | 153.7 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -87.7 | 91.8 | -174.5 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | T4 | S2-T4 PolarHBondContact O-N 3.34Š| ||
| 3 | A | 67.9 | Low | 76.8 | Confident | 83 Ų | 83 | 147.2 Ų | 147.2 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 98.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | M1 R5 | M1-A3 PolarHBondContact O-N 2.96Å; A3-R5 PolarHBondContact O-N 3.48Å | ||
| 4 | T | 68.7 | Low | 78.1 | Confident | 136 Ų | 136 | 140.2 Ų | 140.2 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -67.2 | 82.6 | 171.1 | 43.5 | 0 | 0 | 0 | 0 | 109.1 | S2 A6 | S2-T4 PolarHBondContact O-N 3.34Å; T4-A6 PolarHBondContact O-N 3.39Å | ||
| 5 | R | 72.2 | Confident | 79.3 | Confident | 222 Ų | 222 | 135.7 Ų | 135.7 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -68 | 97.1 | 172 | -67.8 | -172 | 179.8 | -150.3 | 0.4 | 108.1 | A3 K7 | A3-R5 PolarHBondContact O-N 3.48Å; R5-K7 PolarHBondContact O-N 3.36Å | ||
| 6 | A | 71.4 | Confident | 80.3 | Confident | 90 Ų | 90 | 127.3 Ų | 127.3 | 74% | 0.744 | 69% | 0.689 | S | S | * | * | trans | -53.6 | 110.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | T4 K8 | T4-A6 PolarHBondContact O-N 3.39Å; A6-K8 PolarHBondContact O-N 3.28Å | ||
| 7 | K | 77.1 | Confident | 81.1 | Confident | 201 Ų | 201 | 124.6 Ų | 124.6 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -68.3 | 98.3 | 178.9 | -68.2 | 175 | -177.7 | 173.2 | 0 | 107.9 | R5 V9 | R5-K7 PolarHBondContact O-N 3.36Å; K7-V9 PolarHBondContact O-N 3.44Å | ||
| 8 | K | 80.2 | Confident | 81.9 | Confident | 196 Ų | 196 | 124.6 Ų | 124.6 | 85% | 0.852 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 120 | 171.6 | -76.6 | 174.6 | 176.6 | -177.9 | 0 | 108.2 | A6 K10 | A6-K8 PolarHBondContact O-N 3.28Å; K8-K10 PolarHBondContact O-N 3.33Å |
| 9 | V | 82.1 | Confident | 82.7 | Confident | 138 Ų | 138 | 120.8 Ų | 120.8 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 117.5 | 176.3 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | K7 M11 | K7-V9 PolarHBondContact O-N 3.44Å; V9-M11 PolarHBondContact O-N 3.3Å |
| 10 | K | 83.8 | Confident | 83.4 | Confident | 199 Ų | 199 | 121.1 Ų | 121.1 | 87% | 0.865 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -72 | 125.4 | 174.4 | -66.3 | -177.1 | 179.6 | -179.1 | 0 | 108.2 | K8 | K8-K10 PolarHBondContact O-N 3.33Š|
| 11 | M | 87.5 | Confident | 84 | Confident | 148 Ų | 148 | 119.9 Ų | 119.9 | 73% | 0.729 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 138.2 | 174 | -70.4 | 179.4 | 60.5 | 0 | 0 | 110.1 | V9 P24 | V9-M11 PolarHBondContact O-N 3.3Å; M11-P24 HydrophobicContact CE-CB 4.31Å |
| 12 | A | 93.5 | Very high | 85.8 | Confident | 72 Ų | 72 | 114.2 Ų | 114.2 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 129.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V25 | A12-V25 HydrophobicContact CB-CG2 3.99Å; A12-V25 WeakPolarHBondContact O-CG2 3.47Å; A12-V25 PolarHBondContact O-N 3.04Å; A12-V25 VanDerWaalsContact O-N 3.09Å |
| 13 | T | 94.8 | Very high | 87.4 | Confident | 69 Ų | 69 | 108.8 Ų | 108.8 | 42% | 0.423 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.2 | 158.1 | 177.8 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | Q22 V23 | T13-Q22 VanDerWaalsContact CB-OE1 3.31Å; T13-Q22 HydrophobicContact CG2-CB 4.44Å; T13-Q22 PolarHBondContact OG1-OE1 3.38Å; T13-V23 CarbonylContact C-O 3.51Å; T13-V23 VanDerWaalsContact CA-O 3.29Å; T13-V23 WeakPolarHBondContact CA-O 3.12Å |
| 14 | K | 94.5 | Very high | 88.7 | Confident | 50 Ų | 50 | 106.9 Ų | 106.9 | 22% | 0.217 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.5 | 145 | 171.6 | 59.2 | 179.6 | -172.3 | -80.1 | 0 | 109 | V23 P24 V25 C27 F36 | K14-V23 WeakPolarHBondContact CG-O 3.48Å; K14-V23 PolarHBondContact N-O 3.38Å; K14-V23 PolarHBondContact O-N 3.39Å; K14-P24 PolarHBondContact NZ-O 3.42Å; K14-V25 HydrophobicContact CB-CG2 4.41Å; K14-V25 PolarHBondContact NZ-O 3.42Å; K14-C27 PolarHBondContact NZ-O 3.33Å; K14-F36 HydrophobicContact CD-CD1 3.99Å; K14-F36 HydrophobicContact CD-CE1 4.1Å; K14-F36 HydrophobicContact CD-CG 4.28Å; K14-F36 HydrophobicContact CD-CZ 4.48Å; K14-F36 HydrophobicContact CG-CE1 4.4Å |
| 15 | S | 96.2 | Very high | 89.9 | Confident | 73 Ų | 73 | 104.5 Ų | 104.5 | 51% | 0.51 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 140.2 | 175.9 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 16 | C | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 98.7 Ų | 98.7 | 0% | 0 | 55% | 0.546 | C | S | . | . | trans | -77.9 | 128.3 | 169.3 | -175.5 | 0 | 0 | 0 | 0 | 110 | E18 C19 D20 Q21 V23 C30 Y34 F36 | C16-E18 PolarHBondContact O-N 2.69Å; C16-C19 VanDerWaalsContact SG-SG 3.7Å; C16-D20 WeakPolarHBondContact O-CA 3.42Å; C16-D20 PolarHBondContact O-N 2.79Å; C16-Q21 PolarHBondContact N-O 3.49Å; C16-V23 HydrophobicContact CB-CG2 4.4Å; C16-C30 HydrophobicContact CB-CB 4.15Å; C16-C30 VanDerWaalsContact SG-CB 3.57Å; C16-Y34 VanDerWaalsContact SG-CB 3.56Å; C16-F36 HydrophobicContact CB-CZ 4.16Å | ||
| 17 | P | 94.2 | Very high | 91.9 | Very high | 82 Ų | 82 | 97 Ų | 97 | 53% | 0.532 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.7 | 178 | 29.1 | -34.9 | 0 | 0 | 0 | 114.5 | Y34 | P17-Y34 HydrophobicContact CG-CD1 3.84Å; P17-Y34 HydrophobicContact CG-CD2 4.02Å; P17-Y34 HydrophobicContact CG-CE1 3.41Å; P17-Y34 VanDerWaalsContact CG-CE1 3.41Å; P17-Y34 HydrophobicContact CG-CE2 3.62Å; P17-Y34 HydrophobicContact CG-CG 4.12Å |
| 18 | E | 95.2 | Very high | 92.7 | Very high | 124 Ų | 124 | 94.6 Ų | 94.6 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -34.5 | 177.9 | -76.3 | -177 | 175.3 | 0 | 0 | 113.6 | C16 C32 Y34 | C16-E18 PolarHBondContact O-N 2.69Å; E18-C32 PolarHBondContact OE2-SG 2.9Å; E18-C32 VanDerWaalsContact OE2-SG 3.38Å; E18-Y34 HydrophobicContact CG-CD2 3.77Å; E18-Y34 HydrophobicContact CG-CG 4.25Å; E18-Y34 WeakPolarHBondContact OE2-CB 3.43Å; E18-Y34 PolarHBondContact OE2-N 2.89Å |
| 19 | C | 97.1 | Very high | 93.4 | Very high | 54 Ų | 54 | 88.1 Ų | 88.1 | 37% | 0.365 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | 7.2 | -171.9 | 67.4 | 0 | 0 | 0 | 0 | 114 | C16 Q21 C32 | C16-C19 VanDerWaalsContact SG-SG 3.7Å; C19-Q21 PolarHBondContact O-N 2.77Å; C19-Q21 VanDerWaalsContact SG-CB 3.56Å; C19-C32 HydrophobicContact CB-CB 4.19Å |
| 20 | D | 95.6 | Very high | 94.1 | Very high | 126 Ų | 126 | 81.7 Ų | 81.7 | 67% | 0.674 | 46% | 0.458 | S | S | * | . | trans | 55.5 | 10.8 | -179.1 | -63.8 | -45.7 | 0 | 0 | 0 | 115.9 | C16 Q22 | C16-D20 WeakPolarHBondContact O-CA 3.42Å; C16-D20 PolarHBondContact O-N 2.79Å; D20-Q22 PolarHBondContact O-N 3.45Å | ||
| 21 | Q | 96.2 | Very high | 94.7 | Very high | 95 Ų | 95 | 77.3 Ų | 77.3 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | trans | -66.7 | 136.9 | 179.1 | -166.5 | 174 | 20.2 | 0 | 0 | 111 | C16 C19 V23 | C16-Q21 PolarHBondContact N-O 3.49Å; C19-Q21 PolarHBondContact O-N 2.77Å; C19-Q21 VanDerWaalsContact SG-CB 3.56Å; Q21-V23 PolarHBondContact O-N 3.1Å | ||
| 22 | Q | 96.9 | Very high | 95.1 | Very high | 121 Ų | 121 | 73.2 Ų | 73.2 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 107.9 | 172.7 | -72.2 | -76 | 11.3 | 0 | 0 | 110 | T13 D20 | T13-Q22 VanDerWaalsContact CB-OE1 3.31Å; T13-Q22 HydrophobicContact CG2-CB 4.44Å; T13-Q22 PolarHBondContact OG1-OE1 3.38Å; D20-Q22 PolarHBondContact O-N 3.45Å |
| 23 | V | 95.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 72.2 Ų | 72.2 | 3% | 0.03 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.5 | -178.4 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | T13 K14 C16 Q21 V25 C27 C30 F36 | T13-V23 CarbonylContact C-O 3.51Å; T13-V23 VanDerWaalsContact CA-O 3.29Å; T13-V23 WeakPolarHBondContact CA-O 3.12Å; K14-V23 WeakPolarHBondContact CG-O 3.48Å; K14-V23 PolarHBondContact N-O 3.38Å; K14-V23 PolarHBondContact O-N 3.39Å; C16-V23 HydrophobicContact CB-CG2 4.4Å; Q21-V23 PolarHBondContact O-N 3.1Å; V23-V25 PolarHBondContact O-N 2.9Å; V23-C27 HydrophobicContact CG1-CB 3.57Å; V23-C30 HydrophobicContact CG2-CB 4.08Å; V23-F36 HydrophobicContact CB-CE2 4.14Å; V23-F36 HydrophobicContact CB-CZ 4.21Å; V23-F36 HydrophobicContact CG1-CE2 3.94Å; V23-F36 HydrophobicContact CG2-CE2 4.18Å; V23-F36 HydrophobicContact CG2-CZ 4.13Å |
| 24 | P | 95.4 | Very high | 95.2 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 29% | 0.286 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 140.6 | 173.6 | -25 | 33.3 | 0 | 0 | 0 | 111.8 | M11 K14 A26 C27 | M11-P24 HydrophobicContact CE-CB 4.31Å; K14-P24 PolarHBondContact NZ-O 3.42Å; P24-A26 PolarHBondContact O-N 3.24Å; P24-A26 VanDerWaalsContact O-N 3.09Å; P24-C27 PolarHBondContact O-N 3.02Å |
| 25 | V | 92.7 | Very high | 95.2 | Very high | 85 Ų | 85 | 74.7 Ų | 74.7 | 52% | 0.515 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30 | -179.2 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | A12 K14 V23 C27 | A12-V25 HydrophobicContact CB-CG2 3.99Å; A12-V25 WeakPolarHBondContact O-CG2 3.47Å; A12-V25 PolarHBondContact O-N 3.04Å; A12-V25 VanDerWaalsContact O-N 3.09Å; K14-V25 HydrophobicContact CB-CG2 4.41Å; K14-V25 PolarHBondContact NZ-O 3.42Å; V23-V25 PolarHBondContact O-N 2.9Å; V25-C27 PolarHBondContact O-N 2.85Å |
| 26 | A | 92.8 | Very high | 95.1 | Very high | 100 Ų | 100 | 73 Ų | 73 | 83% | 0.826 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -22.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P24 | P24-A26 PolarHBondContact O-N 3.24Å; P24-A26 VanDerWaalsContact O-N 3.09Å |
| 27 | C | 94 | Very high | 94.7 | Very high | 54 Ų | 54 | 77.6 Ų | 77.6 | 37% | 0.365 | 45% | 0.445 | S | S | . | . | trans | -74.5 | 135.8 | -178.4 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | K14 V23 P24 V25 | K14-C27 PolarHBondContact NZ-O 3.33Å; V23-C27 HydrophobicContact CG1-CB 3.57Å; P24-C27 PolarHBondContact O-N 3.02Å; V25-C27 PolarHBondContact O-N 2.85Å | ||
| 28 | K | 93.8 | Very high | 94.1 | Very high | 151 Ų | 151 | 76.4 Ų | 76.4 | 66% | 0.657 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -78.9 | -28.5 | 178.3 | -174.1 | -174.9 | 174.5 | -162.8 | 0 | 112.9 | F36 | K28-F36 WeakPolarHBondContact O-CA 3.38Å; K28-F36 WeakPolarHBondContact O-CB 3.42Å; K28-F36 PolarHBondContact O-N 3.38Å |
| 29 | S | 95.2 | Very high | 93.2 | Very high | 61 Ų | 61 | 80.5 Ų | 80.5 | 43% | 0.427 | 45% | 0.45 | S | S | . | . | B | Isolated β-bridge | trans | -135.7 | 156 | 179.7 | 49.5 | 0 | 0 | 0 | 0 | 111.1 | Y34 | S29-Y34 CarbonylContact C-O 3.47Å; S29-Y34 WeakPolarHBondContact CA-O 3.5Å; S29-Y34 WeakPolarHBondContact CB-O 3.49Å |
| 30 | C | 96.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 86.5 Ų | 86.5 | 2% | 0.02 | 47% | 0.469 | C | S | . | . | trans | -82.3 | 146 | 168 | -173 | 0 | 0 | 0 | 0 | 108.9 | C16 V23 C32 G33 Y34 F36 | C16-C30 HydrophobicContact CB-CB 4.15Å; C16-C30 VanDerWaalsContact SG-CB 3.57Å; V23-C30 HydrophobicContact CG2-CB 4.08Å; C30-C32 PolarHBondContact O-N 2.83Å; C30-C32 VanDerWaalsContact O-N 3.12Å; C30-C32 PolarHBondContact SG-SG 2.9Å; C30-G33 PolarHBondContact O-N 2.79Å; C30-Y34 PolarHBondContact N-O 3.47Å; C30-F36 HydrophobicContact CB-CE2 3.91Å; C30-F36 HydrophobicContact CB-CZ 4.17Å | ||
| 31 | P | 95 | Very high | 91 | Very high | 107 Ų | 107 | 85 Ų | 85 | 70% | 0.695 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.6 | 172 | 24 | -36.7 | 0 | 0 | 0 | 114.3 | G33 | P31-G33 VanDerWaalsContact C-N 3.27Å; P31-G33 PolarHBondContact O-N 2.99Å |
| 32 | C | 96.6 | Very high | 89.7 | Confident | 62 Ų | 62 | 84.6 Ų | 84.6 | 42% | 0.419 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -17.2 | 172.1 | 73.8 | 0 | 0 | 0 | 0 | 114.1 | E18 C19 C30 | E18-C32 PolarHBondContact OE2-SG 2.9Å; E18-C32 VanDerWaalsContact OE2-SG 3.38Å; C19-C32 HydrophobicContact CB-CB 4.19Å; C30-C32 PolarHBondContact O-N 2.83Å; C30-C32 VanDerWaalsContact O-N 3.12Å; C30-C32 PolarHBondContact SG-SG 2.9Å |
| 33 | G | 95.1 | Very high | 88.4 | Confident | 50 Ų | 50 | 84 Ų | 84 | 52% | 0.515 | 46% | 0.462 | S | S | . | . | S | Bend | trans | 119.7 | -24.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | C30 P31 I35 | C30-G33 PolarHBondContact O-N 2.79Å; P31-G33 VanDerWaalsContact C-N 3.27Å; P31-G33 PolarHBondContact O-N 2.99Å; G33-I35 PolarHBondContact O-N 2.88Å |
| 34 | Y | 95.2 | Very high | 87.2 | Confident | 80 Ų | 80 | 86.6 Ų | 86.6 | 31% | 0.314 | 48% | 0.484 | S | S | . | . | trans | -57.9 | 128.5 | -179.2 | -171.2 | -103.4 | 0 | 0 | 0 | 112.6 | C16 P17 E18 S29 C30 F36 | C16-Y34 VanDerWaalsContact SG-CB 3.56Å; P17-Y34 HydrophobicContact CG-CD1 3.84Å; P17-Y34 HydrophobicContact CG-CD2 4.02Å; P17-Y34 HydrophobicContact CG-CE1 3.41Å; P17-Y34 VanDerWaalsContact CG-CE1 3.41Å; P17-Y34 HydrophobicContact CG-CE2 3.62Å; P17-Y34 HydrophobicContact CG-CG 4.12Å; E18-Y34 HydrophobicContact CG-CD2 3.77Å; E18-Y34 HydrophobicContact CG-CG 4.25Å; E18-Y34 WeakPolarHBondContact OE2-CB 3.43Å; E18-Y34 PolarHBondContact OE2-N 2.89Å; S29-Y34 CarbonylContact C-O 3.47Å; S29-Y34 WeakPolarHBondContact CA-O 3.5Å; S29-Y34 WeakPolarHBondContact CB-O 3.49Å; C30-Y34 PolarHBondContact N-O 3.47Å; Y34-F36 AromaticContact CD1-CD1 3.81Å; Y34-F36 HydrophobicContact CD1-CD1 3.81Å; Y34-F36 AromaticContact CD1-CE1 3.7Å; Y34-F36 HydrophobicContact CD1-CE1 3.7Å; Y34-F36 HydrophobicContact CD1-CE2 4.44Å; Y34-F36 HydrophobicContact CD1-CG 4.24Å; Y34-F36 HydrophobicContact CD1-CZ 4.04Å; Y34-F36 AromaticContact CE1-CD1 3.65Å; Y34-F36 HydrophobicContact CE1-CD1 3.65Å; Y34-F36 AromaticContact CE1-CE1 3.83Å; Y34-F36 HydrophobicContact CE1-CE1 3.83Å; Y34-F36 HydrophobicContact CE1-CG 4.3Å | ||
| 35 | I | 94.7 | Very high | 85.5 | Confident | 91 Ų | 91 | 92.9 Ų | 92.9 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | B | Isolated β-bridge | trans | -99.4 | 119.9 | 178.2 | -55.6 | 178.1 | 0 | 0 | 0 | 109.5 | G33 I37 | G33-I35 PolarHBondContact O-N 2.88Å; I35-I37 VanDerWaalsContact C-N 3.26Å; I35-I37 HydrophobicContact CB-CG1 4.26Å; I35-I37 HydrophobicContact CG2-CG1 3.73Å; I35-I37 PolarHBondContact O-N 3.17Å |
| 36 | F | 94 | Very high | 84 | Confident | 39 Ų | 39 | 96.5 Ų | 96.5 | 17% | 0.171 | 52% | 0.517 | C | S | . | . | trans | -78.1 | 77 | 173.3 | -57.4 | -79.9 | 0 | 0 | 0 | 109.9 | K14 C16 V23 K28 C30 Y34 S38 | K14-F36 HydrophobicContact CD-CD1 3.99Å; K14-F36 HydrophobicContact CD-CE1 4.1Å; K14-F36 HydrophobicContact CD-CG 4.28Å; K14-F36 HydrophobicContact CD-CZ 4.48Å; K14-F36 HydrophobicContact CG-CE1 4.4Å; C16-F36 HydrophobicContact CB-CZ 4.16Å; V23-F36 HydrophobicContact CB-CE2 4.14Å; V23-F36 HydrophobicContact CB-CZ 4.21Å; V23-F36 HydrophobicContact CG1-CE2 3.94Å; V23-F36 HydrophobicContact CG2-CE2 4.18Å; V23-F36 HydrophobicContact CG2-CZ 4.13Å; K28-F36 WeakPolarHBondContact O-CA 3.38Å; K28-F36 WeakPolarHBondContact O-CB 3.42Å; K28-F36 PolarHBondContact O-N 3.38Å; C30-F36 HydrophobicContact CB-CE2 3.91Å; C30-F36 HydrophobicContact CB-CZ 4.17Å; Y34-F36 AromaticContact CD1-CD1 3.81Å; Y34-F36 HydrophobicContact CD1-CD1 3.81Å; Y34-F36 AromaticContact CD1-CE1 3.7Å; Y34-F36 HydrophobicContact CD1-CE1 3.7Å; Y34-F36 HydrophobicContact CD1-CE2 4.44Å; Y34-F36 HydrophobicContact CD1-CG 4.24Å; Y34-F36 HydrophobicContact CD1-CZ 4.04Å; Y34-F36 AromaticContact CE1-CD1 3.65Å; Y34-F36 HydrophobicContact CE1-CD1 3.65Å; Y34-F36 AromaticContact CE1-CE1 3.83Å; Y34-F36 HydrophobicContact CE1-CE1 3.83Å; Y34-F36 HydrophobicContact CE1-CG 4.3Å; F36-S38 PolarHBondContact O-N 3.26Å | ||
| 37 | I | 88.6 | Confident | 82.4 | Confident | 95 Ų | 95 | 96 Ų | 96 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | trans | -69.3 | 119 | 177.5 | -52.4 | 175.9 | 0 | 0 | 0 | 108.8 | I35 L41 L42 | I35-I37 VanDerWaalsContact C-N 3.26Å; I35-I37 HydrophobicContact CB-CG1 4.26Å; I35-I37 HydrophobicContact CG2-CG1 3.73Å; I35-I37 PolarHBondContact O-N 3.17Å; I37-L41 HydrophobicContact CG2-CB 4.03Å; I37-L42 HydrophobicContact CB-CD2 4.42Å; I37-L42 HydrophobicContact CD1-CD2 4.32Å; I37-L42 HydrophobicContact CG2-CD1 4.49Å; I37-L42 HydrophobicContact CG2-CD2 3.65Å; I37-L42 HydrophobicContact CG2-CG 3.69Å | ||
| 38 | S | 81.1 | Confident | 80.6 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 41% | 0.406 | 53% | 0.53 | S | S | . | . | trans | -69.4 | 144.4 | 172.9 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | F36 K40 L41 L42 | F36-S38 PolarHBondContact O-N 3.26Å; S38-K40 PolarHBondContact O-N 3.21Å; S38-L41 PolarHBondContact O-N 3.31Å; S38-L41 WeakPolarHBondContact OG-CG 3.45Å; S38-L42 PolarHBondContact O-N 3.48Å | ||
| 39 | R | 76.8 | Confident | 78.4 | Confident | 210 Ų | 210 | 104 Ų | 104 | 79% | 0.792 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -53 | -31.6 | 178.5 | -159.9 | 176.9 | -65.4 | -138.4 | 0.6 | 113 | L41 L42 N43 | R39-L41 PolarHBondContact O-N 3.13Å; R39-L42 PolarHBondContact O-N 3.36Å; R39-N43 PolarHBondContact O-N 3.4Å; R39-N43 PolarHBondContact O-OD1 2.78Å |
| 40 | K | 75.1 | Confident | 75.9 | Confident | 179 Ų | 179 | 105.6 Ų | 105.6 | 78% | 0.778 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64 | -37.8 | 176.3 | -64 | -177.1 | -178.3 | 177.5 | 0 | 112.8 | S38 A44 | S38-K40 PolarHBondContact O-N 3.21Å; K40-A44 PolarHBondContact O-N 3.49Å |
| 41 | L | 70.5 | Confident | 73.5 | Confident | 95 Ų | 95 | 110.8 Ų | 110.8 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.5 | -31 | 179.7 | -69.5 | 175.4 | 0 | 0 | 0 | 112.4 | I37 S38 R39 A44 | I37-L41 HydrophobicContact CG2-CB 4.03Å; S38-L41 PolarHBondContact O-N 3.31Å; S38-L41 WeakPolarHBondContact OG-CG 3.45Å; R39-L41 PolarHBondContact O-N 3.13Å; L41-A44 PolarHBondContact O-N 3.25Å |
| 42 | L | 68.6 | Low | 71.1 | Confident | 86 Ų | 86 | 111.9 Ų | 111.9 | 45% | 0.45 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.7 | -42 | 174 | -66.8 | 175.1 | 0 | 0 | 0 | 111.2 | I37 S38 R39 A44 K45 | I37-L42 HydrophobicContact CB-CD2 4.42Å; I37-L42 HydrophobicContact CD1-CD2 4.32Å; I37-L42 HydrophobicContact CG2-CD1 4.49Å; I37-L42 HydrophobicContact CG2-CD2 3.65Å; I37-L42 HydrophobicContact CG2-CG 3.69Å; S38-L42 PolarHBondContact O-N 3.48Å; R39-L42 PolarHBondContact O-N 3.36Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 2.97Å; L42-K45 PolarHBondContact O-N 3.38Å |
| 43 | N | 70.5 | Confident | 68.6 | Low | 110 Ų | 110 | 113.9 Ų | 113.9 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.9 | -29.2 | -179.8 | -63.9 | -4.3 | 0 | 0 | 0 | 112.9 | R39 K45 H46 | R39-N43 PolarHBondContact O-N 3.4Å; R39-N43 PolarHBondContact O-OD1 2.78Å; N43-K45 VanDerWaalsContact C-N 3.31Å; N43-K45 PolarHBondContact O-N 2.88Å; N43-H46 PolarHBondContact O-N 2.76Å |
| 44 | A | 69 | Low | 66.1 | Low | 58 Ų | 58 | 117.3 Ų | 117.3 | 48% | 0.479 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.3 | -31.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K40 L41 L42 H46 S47 | K40-A44 PolarHBondContact O-N 3.49Å; L41-A44 PolarHBondContact O-N 3.25Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 2.97Å; A44-H46 PolarHBondContact O-N 2.94Å; A44-S47 PolarHBondContact O-N 2.99Å |
| 45 | K | 60.8 | Low | 63.5 | Low | 176 Ų | 176 | 121.2 Ų | 121.2 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -68 | -19.8 | 178.6 | -72.6 | -160.6 | 173 | -165 | 0 | 113.9 | L42 N43 | L42-K45 PolarHBondContact O-N 3.38Å; N43-K45 VanDerWaalsContact C-N 3.31Å; N43-K45 PolarHBondContact O-N 2.88Å |
| 46 | H | 60.9 | Low | 61.1 | Low | 161 Ų | 161 | 123.3 Ų | 123.3 | 75% | 0.745 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -82.5 | -14.7 | -179.9 | -77.1 | -83.5 | 0 | 0 | 0 | 113.9 | N43 A44 E48 | N43-H46 PolarHBondContact O-N 2.76Å; A44-H46 PolarHBondContact O-N 2.94Å; H46-E48 PolarHBondContact O-N 3.43Å |
| 47 | S | 59.5 | Low | 58.9 | Low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -85.9 | 0.1 | -176.3 | 82.6 | 0 | 0 | 0 | 0 | 115.3 | A44 | A44-S47 PolarHBondContact O-N 2.99Š|
| 48 | E | 55.6 | Low | 57 | Low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -95.6 | 17 | -176.3 | -62.4 | -130.9 | 130.1 | 0 | 0 | 114.5 | H46 | H46-E48 PolarHBondContact O-N 3.43Š|
| 49 | K | 48.3 | Very low | 55.5 | Low | 198 Ų | 198 | 140.2 Ų | 140.2 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -110.4 | 70.1 | 168 | -84.2 | 120.4 | 176.6 | -178.3 | 0 | 111.2 | ||||
| 50 | S | 40.9 | Very low | 54.7 | Low | 93 Ų | 93 | 133.9 Ų | 133.9 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -150.7 | 123 | 156 | 48.2 | 0 | 0 | 0 | 0 | 108.7 | ||
| 51 | P | 45.6 | Very low | 53.9 | Low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -70.8 | 155.7 | -173.1 | 31.2 | -34 | 0 | 0 | 0 | 111.1 | S53 | P51-S53 PolarHBondContact O-N 2.82Š| ||
| 52 | P | 46.5 | Very low | 53.7 | Low | 129 Ų | 129 | 140.4 Ų | 140.4 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | trans | -80.2 | 85 | -172.7 | 33.4 | -32.8 | 0 | 0 | 0 | 110.1 | T54 | P52-T54 PolarHBondContact O-N 2.79Š| ||
| 53 | S | 43.7 | Very low | 54 | Low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -83.4 | 100.5 | 166.2 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | P51 | P51-S53 PolarHBondContact O-N 2.82Š| ||
| 54 | T | 42.2 | Very low | 54.3 | Low | 123 Ų | 123 | 153.4 Ų | 153.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | 21.8 | 136 | 138.2 | 58 | 0 | 0 | 0 | 0 | 119.3 | P52 | P52-T54 PolarHBondContact O-N 2.79Š| ||
| 55 | E | 40.3 | Very low | 54.8 | Low | 161 Ų | 161 | 156.9 Ų | 156.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 78.2 | 91.8 | 157.3 | -58.8 | -83.8 | 113.2 | 0 | 0 | 116.2 | ||||
| 56 | N | 45.2 | Very low | 55.3 | Low | 136 Ų | 136 | 155.3 Ų | 155.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 50.8 | 133 | 126.8 | -69.5 | -53.8 | 0 | 0 | 0 | 120.3 | |||||
| 57 | K | 46.9 | Very low | 56.1 | Low | 186 Ų | 186 | 157.4 Ų | 157.4 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | trans | 82.6 | 69.8 | 163.1 | -51.9 | -177.7 | 177.9 | 179.8 | 0 | 116.2 | ||||
| 58 | H | 49 | Very low | 56.9 | Low | 189 Ų | 189 | 159.8 Ų | 159.8 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | -144.2 | 103.9 | 128.6 | -81.9 | -63.7 | 0 | 0 | 0 | 108.8 | A60 | H58-A60 PolarHBondContact O-N 3.45Š| |||
| 59 | E | 50.4 | Low | 57.8 | Low | 171 Ų | 171 | 160 Ų | 160 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -37 | 82.3 | 155.9 | -170.8 | 68 | -148.4 | 0 | 0 | 109.6 | K61 | E59-K61 PolarHBondContact O-N 3.02Š| ||
| 60 | A | 59.6 | Low | 58.9 | Low | 78 Ų | 78 | 162.2 Ų | 162.2 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | trans | -74.5 | 82.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | H58 R62 | H58-A60 PolarHBondContact O-N 3.45Å; A60-R62 WeakPolarHBondContact O-CG 3.49Å; A60-R62 PolarHBondContact O-N 3.09Å | ||
| 61 | K | 57.6 | Low | 60 | Low | 205 Ų | 205 | 165.2 Ų | 165.2 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | 28.3 | 53.6 | 165.9 | -75 | 173.3 | 177 | 170.9 | 0 | 113.2 | E59 R63 | E59-K61 PolarHBondContact O-N 3.02Å; K61-R63 PolarHBondContact O-N 3.09Å; K61-R63 VanDerWaalsContact O-N 3.1Å | ||
| 62 | R | 66 | Low | 60.8 | Low | 206 Ų | 206 | 168.9 Ų | 168.9 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -75.2 | 107 | 173.3 | -68.9 | -170.8 | -179.6 | -154.6 | 1.5 | 106 | A60 R64 | A60-R62 WeakPolarHBondContact O-CG 3.49Å; A60-R62 PolarHBondContact O-N 3.09Å; R62-R64 PolarHBondContact O-N 3.03Å | ||
| 63 | R | 74.4 | Confident | 61.3 | Low | 262 Ų | 262 | 169.4 Ų | 169.4 | 99% | 0.989 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -57.8 | -16.2 | 175.6 | -74.4 | -174.7 | 179.9 | 172 | -0.4 | 113.4 | K61 | K61-R63 PolarHBondContact O-N 3.09Å; K61-R63 VanDerWaalsContact O-N 3.1Å |
| 64 | R | 78.8 | Confident | 61.6 | Low | 207 Ų | 207 | 171 Ų | 171 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -104.4 | 117.3 | -175.4 | 179.6 | 176.5 | -96.7 | 179.5 | -5.9 | 109.3 | R62 | R62-R64 PolarHBondContact O-N 3.03Š|
| 65 | T | 78.3 | Confident | 61.9 | Low | 131 Ų | 131 | 169.4 Ų | 169.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 131 | 167.2 | 37.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 66 | E | 72.2 | Confident | 62.2 | Low | 142 Ų | 142 | 167.8 Ų | 167.8 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 143.7 | 173 | -117.4 | -90.8 | 156 | 0 | 0 | 109 | R69 | E66-R69 VanDerWaalsContact CD-NH1 3.34Å; E66-R69 IonicContact OE1-NH1 2.88Å; E66-R69 PolarHBondContact OE1-NH1 3.35Å; E66-R69 IonicContact OE2-NH1 2.99Å; E66-R69 PolarHBondContact OE2-NH1 2.91Å |
| 67 | R | 77.2 | Confident | 62.3 | Low | 205 Ų | 205 | 167.4 Ų | 167.4 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 124.4 | 177.2 | -71 | -173.7 | 178.6 | 110.9 | -3.2 | 107.2 | R69 | R67-R69 PolarHBondContact O-N 3.4Š|
| 68 | V | 76 | Confident | 62.3 | Low | 141 Ų | 141 | 166.3 Ų | 166.3 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -48.6 | 108.2 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 108.7 | R70 | V68-R70 PolarHBondContact O-N 3.11Š| ||
| 69 | R | 75.5 | Confident | 62.2 | Low | 180 Ų | 180 | 166 Ų | 166 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | -72.6 | 117.6 | 169.1 | -78.6 | -179.8 | 170.7 | 82.4 | -6.4 | 106.4 | E66 R67 E71 | E66-R69 VanDerWaalsContact CD-NH1 3.34Å; E66-R69 IonicContact OE1-NH1 2.88Å; E66-R69 PolarHBondContact OE1-NH1 3.35Å; E66-R69 IonicContact OE2-NH1 2.99Å; E66-R69 PolarHBondContact OE2-NH1 2.91Å; R67-R69 PolarHBondContact O-N 3.4Å; R69-E71 VanDerWaalsContact C-N 3.34Å; R69-E71 PolarHBondContact O-N 3.19Å | ||
| 70 | R | 71.3 | Confident | 62 | Low | 244 Ų | 244 | 163.7 Ų | 163.7 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -76.4 | 91.6 | 174.5 | -168.9 | 162.7 | -171.7 | 165.5 | 0.9 | 107.5 | V68 K72 | V68-R70 PolarHBondContact O-N 3.11Å; R70-K72 PolarHBondContact O-N 3.23Å | ||
| 71 | E | 62.9 | Low | 61.8 | Low | 157 Ų | 157 | 166.4 Ų | 166.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -64.3 | 129.2 | 170.9 | -70 | -177.8 | 175.8 | 0 | 0 | 108.8 | R69 I73 | R69-E71 VanDerWaalsContact C-N 3.34Å; R69-E71 PolarHBondContact O-N 3.19Å; E71-I73 VanDerWaalsContact C-N 3.25Å; E71-I73 PolarHBondContact O-N 3.39Å | ||
| 72 | K | 62.1 | Low | 61.5 | Low | 190 Ų | 190 | 165.1 Ų | 165.1 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -77.2 | 79.6 | -176.1 | -171.3 | 169.3 | 179.2 | -173.9 | 0 | 108.3 | R70 N74 | R70-K72 PolarHBondContact O-N 3.23Å; K72-N74 PolarHBondContact O-N 3.08Å; K72-N74 VanDerWaalsContact O-N 3.1Å | ||
| 73 | I | 57.3 | Low | 60.9 | Low | 140 Ų | 140 | 163 Ų | 163 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -74.2 | 101.4 | 172.3 | -57.4 | 170.4 | 0 | 0 | 0 | 106.8 | E71 S75 | E71-I73 VanDerWaalsContact C-N 3.25Å; E71-I73 PolarHBondContact O-N 3.39Å; I73-S75 PolarHBondContact O-N 3.4Å | ||
| 74 | N | 50.1 | Low | 59.9 | Low | 137 Ų | 137 | 160.8 Ų | 160.8 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -67 | 94 | 165.2 | -76.1 | -13 | 0 | 0 | 0 | 107.6 | K72 | K72-N74 PolarHBondContact O-N 3.08Å; K72-N74 VanDerWaalsContact O-N 3.1Å | ||
| 75 | S | 49.9 | Very low | 58.6 | Low | 89 Ų | 89 | 160.6 Ų | 160.6 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | trans | -116.8 | 91.2 | 167.9 | 63.6 | 0 | 0 | 0 | 0 | 109.3 | I73 | I73-S75 PolarHBondContact O-N 3.4Š| ||
| 76 | T | 44.8 | Very low | 57.4 | Low | 127 Ų | 127 | 164.9 Ų | 164.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -48.2 | 144.6 | 151.5 | 3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 77 | V | 48 | Very low | 56.2 | Low | 129 Ų | 129 | 163.8 Ų | 163.8 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | 61 | 75.2 | 171.5 | -64.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 78 | N | 47.2 | Very low | 55.2 | Low | 163 Ų | 163 | 164.3 Ų | 164.3 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -128.7 | 121 | 139.3 | -104.5 | -54.5 | 0 | 0 | 0 | 110.7 | ||||
| 79 | K | 46.9 | Very low | 53.9 | Low | 183 Ų | 183 | 163.2 Ų | 163.2 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 157.7 | -172.7 | -88.7 | 172.6 | 170.1 | 176.7 | 0 | 110.9 | ||||
| 80 | D | 45.5 | Very low | 52.6 | Low | 122 Ų | 122 | 162.2 Ų | 162.2 | 65% | 0.652 | 80% | 0.795 | S | S | * | * | trans | 79.6 | 87.7 | 147.3 | -82.5 | -82.7 | 0 | 0 | 0 | 120.6 | E82 | D80-E82 PolarHBondContact O-N 3.36Å; D80-E82 VanDerWaalsContact O-N 3.11Å | ||
| 81 | L | 55.3 | Low | 51.5 | Low | 135 Ų | 135 | 155.4 Ų | 155.4 | 71% | 0.707 | 79% | 0.785 | S | S | * | * | 57.8 | 28.4 | 108.7 | -63.5 | -176.2 | 0 | 0 | 0 | 121.8 | |||||
| 82 | E | 52.7 | Low | 51 | Low | 177 Ų | 177 | 156.5 Ų | 156.5 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -89.9 | -9.9 | 170.9 | -86.6 | -76.4 | 106.3 | 0 | 0 | 115.5 | D80 R84 | D80-E82 PolarHBondContact O-N 3.36Å; D80-E82 VanDerWaalsContact O-N 3.11Å; E82-R84 PolarHBondContact O-N 3.43Å |
| 83 | N | 52.2 | Low | 50.5 | Low | 163 Ų | 163 | 151.4 Ų | 151.4 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -91 | 6.3 | -175.6 | -96.3 | 41.5 | 0 | 0 | 0 | 115.9 | K85 | N83-K85 VanDerWaalsContact C-N 3.29Å; N83-K85 PolarHBondContact O-N 3.45Å | ||
| 84 | R | 54 | Low | 50 | Low | 215 Ų | 215 | 152 Ų | 152 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 13.1 | -173.4 | -159 | 162 | 171.5 | 176.4 | -3.5 | 115.5 | E82 | E82-R84 PolarHBondContact O-N 3.43Š|
| 85 | K | 50.9 | Low | 50.4 | Low | 203 Ų | 203 | 152.8 Ų | 152.8 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 32.8 | -176.7 | -63.8 | -166.5 | -177.5 | 179.8 | 0 | 117.1 | N83 | N83-K85 VanDerWaalsContact C-N 3.29Å; N83-K85 PolarHBondContact O-N 3.45Å |
| 86 | R | 53.3 | Low | 50.6 | Low | 220 Ų | 220 | 155.1 Ų | 155.1 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -122.5 | 71.4 | 160.6 | -102.9 | 175.6 | -177.5 | 175.2 | 2 | 112.2 | R88 | R86-R88 PolarHBondContact O-N 3.09Š| ||
| 87 | S | 48.3 | Very low | 51.2 | Low | 120 Ų | 120 | 160.5 Ų | 160.5 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -70.7 | 96.6 | 156.1 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 88 | R | 55.7 | Low | 51.5 | Low | 215 Ų | 215 | 164 Ų | 164 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -119.8 | 102.4 | 159 | -82.9 | -173.7 | 169.7 | 164.8 | -3.5 | 108.3 | R86 | R86-R88 PolarHBondContact O-N 3.09Š| ||
| 89 | S | 48.8 | Very low | 52.1 | Low | 119 Ų | 119 | 159.1 Ų | 159.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -0.1 | 114.5 | 164.2 | -25.5 | 0 | 0 | 0 | 0 | 117 | S91 | S89-S91 PolarHBondContact O-N 3.45Š| ||
| 90 | N | 47.4 | Very low | 52.7 | Low | 158 Ų | 158 | 162.9 Ų | 162.9 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -63.2 | 110.9 | 162 | 179.8 | 36.6 | 0 | 0 | 0 | 110.2 | ||||
| 91 | S | 49.1 | Very low | 53.4 | Low | 102 Ų | 102 | 160.7 Ų | 160.7 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -133.8 | 66.4 | 169.4 | 167.1 | 0 | 0 | 0 | 0 | 109.2 | S89 S93 | S89-S91 PolarHBondContact O-N 3.45Å; S91-S93 PolarHBondContact O-N 3.09Å | ||
| 92 | H | 51 | Low | 53.9 | Low | 179 Ų | 179 | 165 Ų | 165 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | 20.3 | 86.1 | 138.7 | -156.2 | 25.1 | 0 | 0 | 0 | 117 | ||||
| 93 | S | 51.2 | Low | 54.4 | Low | 83 Ų | 83 | 162 Ų | 162 | 58% | 0.58 | 80% | 0.797 | S | S | * | * | trans | -172.6 | 55.6 | 149.3 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | S91 H95 | S91-S93 PolarHBondContact O-N 3.09Å; S93-H95 PolarHBondContact O-N 3.41Å | ||
| 94 | D | 48.8 | Very low | 54.8 | Low | 153 Ų | 153 | 163.2 Ų | 163.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -74.5 | 79.6 | 158.8 | -80.3 | -53.1 | 0 | 0 | 0 | 107.8 | I96 | D94-I96 VanDerWaalsContact C-N 3.29Å; D94-I96 PolarHBondContact O-N 2.93Å | ||
| 95 | H | 57.2 | Low | 54.8 | Low | 154 Ų | 154 | 158.2 Ų | 158.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -44.9 | 107.3 | 151.1 | -76.5 | -80.6 | 0 | 0 | 0 | 105.7 | S93 R97 | S93-H95 PolarHBondContact O-N 3.41Å; H95-R97 WeakPolarHBondContact O-CG 3.45Å; H95-R97 PolarHBondContact O-N 3.12Å | ||
| 96 | I | 55.1 | Low | 55.1 | Low | 138 Ų | 138 | 152.8 Ų | 152.8 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -49.7 | 95.7 | 175.4 | -68.2 | 92.4 | 0 | 0 | 0 | 106.1 | D94 R98 | D94-I96 VanDerWaalsContact C-N 3.29Å; D94-I96 PolarHBondContact O-N 2.93Å; I96-R98 HydrophobicContact CG2-CG 3.74Å; I96-R98 PolarHBondContact O-N 3.45Å | ||
| 97 | R | 56.1 | Low | 55 | Low | 240 Ų | 240 | 147.8 Ų | 147.8 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -70.9 | 78.6 | 175.1 | -70.6 | -172.8 | -177.9 | -171.3 | 0.3 | 105 | H95 G99 | H95-R97 WeakPolarHBondContact O-CG 3.45Å; H95-R97 PolarHBondContact O-N 3.12Å; R97-G99 PolarHBondContact O-N 3.2Å | ||
| 98 | R | 55.4 | Low | 55.2 | Low | 201 Ų | 201 | 146.3 Ų | 146.3 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -56.5 | 105.9 | 172 | -66.6 | -176.8 | 177.1 | 166.4 | 0.5 | 105.6 | I96 R100 | I96-R98 HydrophobicContact CG2-CG 3.74Å; I96-R98 PolarHBondContact O-N 3.45Å; R98-R100 PolarHBondContact O-N 3.23Å | ||
| 99 | G | 59.7 | Low | 54.9 | Low | 61 Ų | 61 | 142.9 Ų | 142.9 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | -52.2 | 117.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | R97 G101 | R97-G99 PolarHBondContact O-N 3.2Å; G99-G101 PolarHBondContact O-N 2.96Å | ||
| 100 | R | 59.4 | Low | 55.1 | Low | 262 Ų | 262 | 146.1 Ų | 146.1 | 99% | 0.989 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 123.9 | 166.3 | -71.6 | -175.2 | -176.4 | -165.4 | 1.6 | 106.8 | R98 | R98-R100 PolarHBondContact O-N 3.23Š|
| 101 | G | 59 | Low | 55.4 | Low | 77 Ų | 77 | 145.7 Ų | 145.7 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.6 | -1.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | G99 P103 | G99-G101 PolarHBondContact O-N 2.96Å; G101-P103 WeakPolarHBondContact O-CD 3.21Å |
| 102 | R | 65.8 | Low | 55.6 | Low | 224 Ų | 224 | 146.1 Ų | 146.1 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -97.4 | 98.4 | 164.3 | -168.3 | 167.9 | -178.2 | 156.6 | -0.5 | 109.7 | K104 | R102-K104 PolarHBondContact O-N 3Š| ||
| 103 | P | 64.1 | Low | 55.7 | Low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | trans | -56.8 | 136.8 | 173.1 | 21.2 | -29.9 | 0 | 0 | 0 | 110 | G101 S105 | G101-P103 WeakPolarHBondContact O-CD 3.21Å; P103-S105 PolarHBondContact O-N 3.1Å | ||
| 104 | K | 59.9 | Low | 55.7 | Low | 190 Ų | 190 | 145.5 Ų | 145.5 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | -74 | 92.9 | -177.9 | -145.9 | 175.6 | -173.6 | -173.4 | 0 | 106.9 | R102 A106 | R102-K104 PolarHBondContact O-N 3Å; K104-A106 PolarHBondContact O-N 3.06Å | ||
| 105 | S | 54.6 | Low | 55.9 | Low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | -64.9 | 103.5 | 170.4 | 55.5 | 0 | 0 | 0 | 0 | 107.4 | P103 S107 | P103-S105 PolarHBondContact O-N 3.1Å; S105-S107 PolarHBondContact O-N 3.21Å | ||
| 106 | A | 57 | Low | 55.8 | Low | 90 Ų | 90 | 144.6 Ų | 144.6 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | trans | -57.5 | 119.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | K104 A108 | K104-A106 PolarHBondContact O-N 3.06Å; A106-A108 VanDerWaalsContact C-N 3.29Å; A106-A108 PolarHBondContact O-N 3.06Å | ||
| 107 | S | 51 | Low | 55.7 | Low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -65.3 | 83.9 | 174.5 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | S105 | S105-S107 PolarHBondContact O-N 3.21Š|
| 108 | A | 53.1 | Low | 55.6 | Low | 89 Ų | 89 | 139.6 Ų | 139.6 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | trans | -146.7 | 5.7 | 172 | 0 | 0 | 0 | 0 | 0 | 114.6 | A106 | A106-A108 VanDerWaalsContact C-N 3.29Å; A106-A108 PolarHBondContact O-N 3.06Å | ||
| 109 | K | 48.1 | Very low | 55.7 | Low | 143 Ų | 143 | 136.6 Ų | 136.6 | 62% | 0.622 | 70% | 0.702 | S | S | * | * | trans | -131 | 29.6 | -178.6 | -87.9 | -164.3 | 170.1 | -155.8 | 0 | 115.2 | H111 E112 | K109-H111 PolarHBondContact O-N 2.95Å; K109-H111 VanDerWaalsContact O-N 3.09Å; K109-E112 WeakPolarHBondContact CE-OE2 3.29Å; K109-E112 IonicContact NZ-OE2 2.73Å; K109-E112 PolarHBondContact NZ-OE2 3.24Å; K109-E112 PolarHBondContact O-N 2.66Å; K109-E112 VanDerWaalsContact O-N 3.14Å | ||
| 110 | K | 53.8 | Low | 55.5 | Low | 187 Ų | 187 | 141.6 Ų | 141.6 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -60.7 | -17.7 | 174 | -80.7 | -169.7 | 174 | -174.2 | 0 | 113.9 | ||
| 111 | H | 53.9 | Low | 55.5 | Low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -86.8 | -11.3 | 178.1 | -165.9 | -95.1 | 0 | 0 | 0 | 114.2 | K109 | K109-H111 PolarHBondContact O-N 2.95Å; K109-H111 VanDerWaalsContact O-N 3.09Å |
| 112 | E | 52.9 | Low | 55.8 | Low | 112 Ų | 112 | 139.1 Ų | 139.1 | 52% | 0.523 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -92.7 | -34.2 | 173.3 | -87.5 | -155.4 | 137.7 | 0 | 0 | 113.3 | K109 E114 R115 E116 | K109-E112 WeakPolarHBondContact CE-OE2 3.29Å; K109-E112 IonicContact NZ-OE2 2.73Å; K109-E112 PolarHBondContact NZ-OE2 3.24Å; K109-E112 PolarHBondContact O-N 2.66Å; K109-E112 VanDerWaalsContact O-N 3.14Å; E112-E114 VanDerWaalsContact C-N 3.27Å; E112-E114 PolarHBondContact O-N 2.73Å; E112-R115 PolarHBondContact O-N 2.83Å; E112-E116 PolarHBondContact O-N 3.12Å |
| 113 | E | 52.9 | Low | 56.1 | Low | 114 Ų | 114 | 132.7 Ų | 132.7 | 53% | 0.533 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -68.9 | -25 | -173.7 | -161.7 | -177.5 | 159.6 | 0 | 0 | 113.2 | E116 K117 | E113-E116 PolarHBondContact O-N 3.4Å; E113-K117 PolarHBondContact O-N 2.97Å |
| 114 | E | 51 | Low | 56.7 | Low | 135 Ų | 135 | 133.8 Ų | 133.8 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.1 | -31.6 | 173.6 | -158.2 | 170.5 | -169.3 | 0 | 0 | 111.8 | E112 Q118 | E112-E114 VanDerWaalsContact C-N 3.27Å; E112-E114 PolarHBondContact O-N 2.73Å; E114-Q118 WeakPolarHBondContact O-CG 3.35Å; E114-Q118 PolarHBondContact O-N 3.4Å |
| 115 | R | 54.2 | Low | 57.6 | Low | 170 Ų | 170 | 132.4 Ų | 132.4 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.6 | -37.8 | 172 | -71.4 | -172.8 | 178.1 | -135.3 | -0.8 | 112.1 | E112 K117 Q118 E119 | E112-R115 PolarHBondContact O-N 2.83Å; R115-K117 VanDerWaalsContact C-N 3.32Å; R115-K117 PolarHBondContact O-N 3.41Å; R115-Q118 PolarHBondContact O-N 3.1Å; R115-E119 PolarHBondContact O-N 3.38Å |
| 116 | E | 53.6 | Low | 58.8 | Low | 117 Ų | 117 | 130.3 Ų | 130.3 | 55% | 0.547 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -72.3 | -23 | -178.7 | -153 | -176.6 | -179.5 | 0 | 0 | 113.3 | E112 E113 | E112-E116 PolarHBondContact O-N 3.12Å; E113-E116 PolarHBondContact O-N 3.4Å |
| 117 | K | 53.6 | Low | 60 | Low | 143 Ų | 143 | 133.1 Ų | 133.1 | 62% | 0.622 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.8 | -36.9 | 168.4 | -74.7 | -175.7 | -175.8 | -179.5 | 0 | 112.7 | E113 R115 E119 K120 | E113-K117 PolarHBondContact O-N 2.97Å; R115-K117 VanDerWaalsContact C-N 3.32Å; R115-K117 PolarHBondContact O-N 3.41Å; K117-E119 PolarHBondContact O-N 2.92Å; K117-K120 PolarHBondContact O-N 3.27Å |
| 118 | Q | 53.8 | Low | 61.7 | Low | 130 Ų | 130 | 130 Ų | 130 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.8 | -25.6 | 173.1 | -75.5 | 179.8 | 30.2 | 0 | 0 | 112.5 | E114 R115 K120 | E114-Q118 WeakPolarHBondContact O-CG 3.35Å; E114-Q118 PolarHBondContact O-N 3.4Å; R115-Q118 PolarHBondContact O-N 3.1Å; Q118-K120 VanDerWaalsContact C-N 3.28Å; Q118-K120 PolarHBondContact O-N 2.9Å |
| 119 | E | 57.4 | Low | 63.5 | Low | 138 Ų | 138 | 128.7 Ų | 128.7 | 65% | 0.645 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -66.7 | -23.5 | 174.6 | -89.1 | -174.4 | 161.7 | 0 | 0 | 114.3 | R115 K117 | R115-E119 PolarHBondContact O-N 3.38Å; K117-E119 PolarHBondContact O-N 2.92Å |
| 120 | K | 56.1 | Low | 65.5 | Low | 166 Ų | 166 | 129 Ų | 129 | 72% | 0.722 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -84.1 | -16.1 | -172.4 | -69.8 | -179.3 | -171.8 | 175.3 | 0 | 114.5 | K117 Q118 | K117-K120 PolarHBondContact O-N 3.27Å; Q118-K120 VanDerWaalsContact C-N 3.28Å; Q118-K120 PolarHBondContact O-N 2.9Å |
| 121 | E | 59 | Low | 67.4 | Low | 179 Ų | 179 | 127.3 Ų | 127.3 | 84% | 0.836 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -138.2 | 49.8 | 177.3 | -69.9 | 178.3 | -174.3 | 0 | 0 | 108.7 | D123 | E121-D123 PolarHBondContact O-N 2.83Š|
| 122 | I | 66.2 | Low | 69.4 | Low | 108 Ų | 108 | 126 Ų | 126 | 55% | 0.554 | 61% | 0.606 | S | S | * | * | trans | -60.8 | 102.7 | 160.8 | -59.9 | 165.7 | 0 | 0 | 0 | 104.9 | I124 | I122-I124 VanDerWaalsContact C-N 3.28Å; I122-I124 PolarHBondContact O-N 3.05Å | ||
| 123 | D | 71.7 | Confident | 71.3 | Confident | 90 Ų | 90 | 122.6 Ų | 122.6 | 48% | 0.481 | 60% | 0.597 | S | S | . | * | trans | -62.8 | 98.5 | 170.4 | -178 | 0.5 | 0 | 0 | 0 | 106.9 | E121 Y125 A126 | E121-D123 PolarHBondContact O-N 2.83Å; D123-Y125 PolarHBondContact O-N 3.4Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.16Å; D123-Y125 PolarHBondContact OD1-N 3.26Å; D123-A126 HydrophobicContact CB-CB 3.88Å; D123-A126 WeakPolarHBondContact O-CB 3.37Å; D123-A126 PolarHBondContact O-N 3.04Å | ||
| 124 | I | 75.8 | Confident | 73.4 | Confident | 136 Ų | 136 | 123.8 Ų | 123.8 | 70% | 0.697 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -24.5 | 179.7 | -63.8 | 167.3 | 0 | 0 | 0 | 110.1 | I122 | I122-I124 VanDerWaalsContact C-N 3.28Å; I122-I124 PolarHBondContact O-N 3.05Å |
| 125 | Y | 78.9 | Confident | 75.5 | Confident | 161 Ų | 161 | 121.4 Ų | 121.4 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -12.8 | -178.8 | -55.3 | -82.8 | 0 | 0 | 0 | 113.7 | D123 N127 L128 | D123-Y125 PolarHBondContact O-N 3.4Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.16Å; D123-Y125 PolarHBondContact OD1-N 3.26Å; Y125-N127 VanDerWaalsContact C-N 3.28Å; Y125-N127 PolarHBondContact O-N 2.87Å; Y125-L128 HydrophobicContact CD1-CD1 3.65Å; Y125-L128 HydrophobicContact CG-CD1 4.29Å; Y125-L128 WeakPolarHBondContact O-CB 3.41Å; Y125-L128 WeakPolarHBondContact O-CG 3.45Å; Y125-L128 PolarHBondContact O-N 2.96Å |
| 126 | A | 80.2 | Confident | 77.5 | Confident | 66 Ų | 66 | 117.9 Ų | 117.9 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | -26.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D123 | D123-A126 HydrophobicContact CB-CB 3.88Å; D123-A126 WeakPolarHBondContact O-CB 3.37Å; D123-A126 PolarHBondContact O-N 3.04Å |
| 127 | N | 82.7 | Confident | 79.5 | Confident | 148 Ų | 148 | 115.8 Ų | 115.8 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 18.3 | -179.6 | -64.7 | -26.5 | 0 | 0 | 0 | 113.1 | Y125 | Y125-N127 VanDerWaalsContact C-N 3.28Å; Y125-N127 PolarHBondContact O-N 2.87Å |
| 128 | L | 87.3 | Confident | 81.6 | Confident | 51 Ų | 51 | 112.5 Ų | 112.5 | 27% | 0.267 | 58% | 0.575 | S | S | . | * | trans | -78.6 | 142.3 | 175.5 | -69.7 | 173.4 | 0 | 0 | 0 | 110.8 | Y125 K132 F136 | Y125-L128 HydrophobicContact CD1-CD1 3.65Å; Y125-L128 HydrophobicContact CG-CD1 4.29Å; Y125-L128 WeakPolarHBondContact O-CB 3.41Å; Y125-L128 WeakPolarHBondContact O-CG 3.45Å; Y125-L128 PolarHBondContact O-N 2.96Å; L128-K132 HydrophobicContact CB-CB 4.43Å; L128-K132 HydrophobicContact CD2-CB 4.2Å; L128-K132 HydrophobicContact CD2-CD 3.91Å; L128-F136 HydrophobicContact CD1-CD2 3.8Å; L128-F136 HydrophobicContact CD1-CE2 3.57Å; L128-F136 HydrophobicContact CD2-CE2 4.06Å; L128-F136 HydrophobicContact CG-CE2 4.47Å | ||
| 129 | S | 90.8 | Very high | 83.6 | Confident | 60 Ų | 60 | 108.5 Ų | 108.5 | 42% | 0.42 | 56% | 0.564 | S | S | . | * | trans | -66.9 | 151.3 | 167.3 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | E131 K132 A133 | S129-E131 PolarHBondContact O-N 3.34Å; S129-E131 VanDerWaalsContact O-N 3.14Å; S129-K132 PolarHBondContact O-N 3.03Å; S129-K132 WeakPolarHBondContact OG-CG 3.38Å; S129-A133 PolarHBondContact O-N 3.39Å | ||
| 130 | D | 90.2 | Very high | 85.5 | Confident | 150 Ų | 150 | 106.9 Ų | 106.9 | 80% | 0.802 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -54.2 | -35.5 | 178.7 | -65.2 | -26.3 | 0 | 0 | 0 | 112.4 | A133 F134 | D130-A133 PolarHBondContact O-N 3.02Å; D130-F134 WeakPolarHBondContact O-CB 3.32Å; D130-F134 PolarHBondContact O-N 3.18Å |
| 131 | E | 93.5 | Very high | 87.5 | Confident | 152 Ų | 152 | 101 Ų | 101 | 71% | 0.71 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 175.6 | -173.3 | 177.5 | -164.4 | 0 | 0 | 112.5 | S129 F134 V135 | S129-E131 PolarHBondContact O-N 3.34Å; S129-E131 VanDerWaalsContact O-N 3.14Å; E131-F134 WeakPolarHBondContact O-CB 3.34Å; E131-F134 PolarHBondContact O-N 2.97Å; E131-V135 WeakPolarHBondContact O-CG2 3.29Å; E131-V135 PolarHBondContact O-N 3.46Å |
| 132 | K | 94.8 | Very high | 89.3 | Confident | 120 Ų | 120 | 96.7 Ų | 96.7 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 176.5 | -72.3 | -179.2 | -178.6 | 178 | 0 | 111.1 | L128 S129 F134 V135 F136 | L128-K132 HydrophobicContact CB-CB 4.43Å; L128-K132 HydrophobicContact CD2-CB 4.2Å; L128-K132 HydrophobicContact CD2-CD 3.91Å; S129-K132 PolarHBondContact O-N 3.03Å; S129-K132 WeakPolarHBondContact OG-CG 3.38Å; K132-F134 PolarHBondContact O-N 3.26Å; K132-V135 PolarHBondContact O-N 3.3Å; K132-F136 HydrophobicContact CB-CE2 4.16Å; K132-F136 WeakPolarHBondContact O-CD2 3.43Å; K132-F136 WeakPolarHBondContact O-CG 3.32Å; K132-F136 PolarHBondContact O-N 3Å |
| 133 | A | 93.7 | Very high | 90.8 | Very high | 40 Ų | 40 | 95.7 Ų | 95.7 | 33% | 0.331 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.5 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S129 D130 F136 S137 | S129-A133 PolarHBondContact O-N 3.39Å; D130-A133 PolarHBondContact O-N 3.02Å; A133-F136 PolarHBondContact O-N 2.95Å; A133-S137 WeakPolarHBondContact O-CB 3.4Å; A133-S137 PolarHBondContact O-N 3.38Å; A133-S137 PolarHBondContact O-OG 2.89Å |
| 134 | F | 96.2 | Very high | 91.9 | Very high | 139 Ų | 139 | 95.6 Ų | 95.6 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -48.5 | 174.5 | -179.8 | -101.9 | 0 | 0 | 0 | 112.3 | D130 E131 K132 F136 S137 V138 | D130-F134 WeakPolarHBondContact O-CB 3.32Å; D130-F134 PolarHBondContact O-N 3.18Å; E131-F134 WeakPolarHBondContact O-CB 3.34Å; E131-F134 PolarHBondContact O-N 2.97Å; K132-F134 PolarHBondContact O-N 3.26Å; F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 PolarHBondContact O-N 3.49Å; F134-S137 WeakPolarHBondContact O-CB 3.29Å; F134-S137 PolarHBondContact O-N 3.48Å; F134-S137 VanDerWaalsContact O-N 3.1Å; F134-V138 HydrophobicContact CD1-CG2 4.35Å; F134-V138 HydrophobicContact CE1-CG2 3.92Å; F134-V138 HydrophobicContact CE2-CG2 4.22Å; F134-V138 HydrophobicContact CZ-CG2 3.85Å; F134-V138 WeakPolarHBondContact O-CG2 3.43Å; F134-V138 PolarHBondContact O-N 2.9Å |
| 135 | V | 96.7 | Very high | 92.8 | Very high | 85 Ų | 85 | 97.2 Ų | 97.2 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | E131 K132 S137 V138 A139 | E131-V135 WeakPolarHBondContact O-CG2 3.29Å; E131-V135 PolarHBondContact O-N 3.46Å; K132-V135 PolarHBondContact O-N 3.3Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.1Å; V135-V138 PolarHBondContact O-N 3.37Å; V135-A139 WeakPolarHBondContact O-CB 3.45Å; V135-A139 PolarHBondContact O-N 3.02Å |
| 136 | F | 95.4 | Very high | 93.6 | Very high | 96 Ų | 96 | 95.1 Ų | 95.1 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 176.3 | -65.7 | -47.5 | 0 | 0 | 0 | 112.4 | L128 K132 A133 F134 V138 A139 L140 | L128-F136 HydrophobicContact CD1-CD2 3.8Å; L128-F136 HydrophobicContact CD1-CE2 3.57Å; L128-F136 HydrophobicContact CD2-CE2 4.06Å; L128-F136 HydrophobicContact CG-CE2 4.47Å; K132-F136 HydrophobicContact CB-CE2 4.16Å; K132-F136 WeakPolarHBondContact O-CD2 3.43Å; K132-F136 WeakPolarHBondContact O-CG 3.32Å; K132-F136 PolarHBondContact O-N 3Å; A133-F136 PolarHBondContact O-N 2.95Å; F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 PolarHBondContact O-N 3.49Å; F136-V138 PolarHBondContact O-N 3.47Å; F136-A139 PolarHBondContact O-N 2.85Å; F136-L140 WeakPolarHBondContact O-CB 3.49Å; F136-L140 VanDerWaalsContact O-CG 3.29Å; F136-L140 WeakPolarHBondContact O-CG 3.38Å; F136-L140 PolarHBondContact O-N 2.95Å |
| 137 | S | 94.9 | Very high | 94.3 | Very high | 73 Ų | 73 | 95.3 Ų | 95.3 | 51% | 0.51 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 177 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | A133 F134 V135 A141 | A133-S137 WeakPolarHBondContact O-CB 3.4Å; A133-S137 PolarHBondContact O-N 3.38Å; A133-S137 PolarHBondContact O-OG 2.89Å; F134-S137 WeakPolarHBondContact O-CB 3.29Å; F134-S137 PolarHBondContact O-N 3.48Å; F134-S137 VanDerWaalsContact O-N 3.1Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.1Å; S137-A141 WeakPolarHBondContact O-CB 3.36Å; S137-A141 PolarHBondContact O-N 2.85Å |
| 138 | V | 97.7 | Very high | 94.8 | Very high | 74 Ų | 74 | 93 Ų | 93 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 175.2 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | F134 V135 F136 L140 A141 E142 | F134-V138 HydrophobicContact CD1-CG2 4.35Å; F134-V138 HydrophobicContact CE1-CG2 3.92Å; F134-V138 HydrophobicContact CE2-CG2 4.22Å; F134-V138 HydrophobicContact CZ-CG2 3.85Å; F134-V138 WeakPolarHBondContact O-CG2 3.43Å; F134-V138 PolarHBondContact O-N 2.9Å; V135-V138 PolarHBondContact O-N 3.37Å; F136-V138 PolarHBondContact O-N 3.47Å; V138-L140 PolarHBondContact O-N 2.96Å; V138-A141 PolarHBondContact O-N 2.97Å; V138-E142 PolarHBondContact O-N 3.35Å |
| 139 | A | 97.5 | Very high | 94.9 | Very high | 47 Ų | 47 | 95.1 Ų | 95.1 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V135 F136 E142 I143 | V135-A139 WeakPolarHBondContact O-CB 3.45Å; V135-A139 PolarHBondContact O-N 3.02Å; F136-A139 PolarHBondContact O-N 2.85Å; A139-E142 WeakPolarHBondContact O-CB 3.05Å; A139-E142 PolarHBondContact O-N 3.24Å; A139-I143 VanDerWaalsContact O-CG1 3.32Å; A139-I143 WeakPolarHBondContact O-CG1 3.4Å; A139-I143 PolarHBondContact O-N 3.37Å |
| 140 | L | 96.9 | Very high | 94.7 | Very high | 103 Ų | 103 | 98.6 Ų | 98.6 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 176.6 | -71.5 | 172.2 | 0 | 0 | 0 | 111.6 | F136 V138 I143 N144 | F136-L140 WeakPolarHBondContact O-CB 3.49Å; F136-L140 VanDerWaalsContact O-CG 3.29Å; F136-L140 WeakPolarHBondContact O-CG 3.38Å; F136-L140 PolarHBondContact O-N 2.95Å; V138-L140 PolarHBondContact O-N 2.96Å; L140-I143 PolarHBondContact O-N 2.97Å; L140-N144 WeakPolarHBondContact O-CB 3.36Å; L140-N144 PolarHBondContact O-N 3.24Å; L140-N144 PolarHBondContact O-ND2 3.21Å |
| 141 | A | 97.4 | Very high | 94.2 | Very high | 43 Ų | 43 | 100.3 Ų | 100.3 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S137 V138 N144 R145 | S137-A141 WeakPolarHBondContact O-CB 3.36Å; S137-A141 PolarHBondContact O-N 2.85Å; V138-A141 PolarHBondContact O-N 2.97Å; A141-N144 PolarHBondContact O-N 3.4Å; A141-R145 VanDerWaalsContact O-CG 3.29Å; A141-R145 WeakPolarHBondContact O-CG 3.36Å; A141-R145 PolarHBondContact O-N 3.2Å |
| 142 | E | 97.5 | Very high | 93.2 | Very high | 89 Ų | 89 | 99.6 Ų | 99.6 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 176 | -173.5 | 76.1 | -159.3 | 0 | 0 | 111.7 | V138 A139 R145 K146 | V138-E142 PolarHBondContact O-N 3.35Å; A139-E142 WeakPolarHBondContact O-CB 3.05Å; A139-E142 PolarHBondContact O-N 3.24Å; E142-R145 PolarHBondContact O-N 3.49Å; E142-K146 WeakPolarHBondContact O-CG 3.41Å; E142-K146 PolarHBondContact O-N 3.06Å; E142-K146 VanDerWaalsContact O-N 3.1Å; E142-K146 WeakPolarHBondContact OE1-CE 3.46Å; E142-K146 IonicContact OE1-NZ 3.59Å |
| 143 | I | 97.2 | Very high | 91.9 | Very high | 86 Ų | 86 | 100.8 Ų | 100.8 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 177.7 | -68.3 | 165 | 0 | 0 | 0 | 110.6 | A139 L140 R145 K146 I147 | A139-I143 VanDerWaalsContact O-CG1 3.32Å; A139-I143 WeakPolarHBondContact O-CG1 3.4Å; A139-I143 PolarHBondContact O-N 3.37Å; L140-I143 PolarHBondContact O-N 2.97Å; I143-R145 VanDerWaalsContact C-N 3.32Å; I143-R145 PolarHBondContact O-N 3.05Å; I143-K146 PolarHBondContact O-N 3.26Å; I143-K146 VanDerWaalsContact O-N 3.12Å; I143-I147 HydrophobicContact CG2-CD1 3.7Å; I143-I147 HydrophobicContact CG2-CG1 4.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.4Å; I143-I147 PolarHBondContact O-N 3.23Å |
| 144 | N | 94.9 | Very high | 90.1 | Very high | 89 Ų | 89 | 109 Ų | 109 | 48% | 0.476 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.7 | -40.4 | -179.8 | -72.7 | -19.5 | 0 | 0 | 0 | 111.8 | L140 A141 I147 I148 | L140-N144 WeakPolarHBondContact O-CB 3.36Å; L140-N144 PolarHBondContact O-N 3.24Å; L140-N144 PolarHBondContact O-ND2 3.21Å; A141-N144 PolarHBondContact O-N 3.4Å; N144-I147 PolarHBondContact O-N 3.03Å; N144-I148 VanDerWaalsContact O-CG1 3.32Å; N144-I148 WeakPolarHBondContact O-CG1 3.38Å; N144-I148 PolarHBondContact O-N 3.37Å; N144-I148 VanDerWaalsContact O-N 3.09Å |
| 145 | R | 95.1 | Very high | 89.8 | Confident | 169 Ų | 169 | 107.6 Ų | 107.6 | 64% | 0.638 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.4 | -45.8 | 172.8 | -73.6 | 171.5 | -179.9 | -171.6 | -0.1 | 111.6 | A141 E142 I143 I148 N149 | A141-R145 VanDerWaalsContact O-CG 3.29Å; A141-R145 WeakPolarHBondContact O-CG 3.36Å; A141-R145 PolarHBondContact O-N 3.2Å; E142-R145 PolarHBondContact O-N 3.49Å; I143-R145 VanDerWaalsContact C-N 3.32Å; I143-R145 PolarHBondContact O-N 3.05Å; R145-I148 PolarHBondContact O-N 3.34Å; R145-N149 VanDerWaalsContact O-CG 3.26Å; R145-N149 PolarHBondContact O-N 2.87Å; R145-N149 VanDerWaalsContact O-N 3.09Å; R145-N149 PolarHBondContact O-ND2 3Å |
| 146 | K | 95.3 | Very high | 89.5 | Confident | 117 Ų | 117 | 108.7 Ų | 108.7 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 178.9 | -71.9 | 176 | -176.4 | 174.7 | 0 | 112.4 | E142 I143 N149 Q150 | E142-K146 WeakPolarHBondContact O-CG 3.41Å; E142-K146 PolarHBondContact O-N 3.06Å; E142-K146 VanDerWaalsContact O-N 3.1Å; E142-K146 WeakPolarHBondContact OE1-CE 3.46Å; E142-K146 IonicContact OE1-NZ 3.59Å; I143-K146 PolarHBondContact O-N 3.26Å; I143-K146 VanDerWaalsContact O-N 3.12Å; K146-N149 PolarHBondContact O-N 2.71Å; K146-Q150 WeakPolarHBondContact O-CG 3.49Å; K146-Q150 PolarHBondContact O-N 3.33Å; K146-Q150 VanDerWaalsContact O-N 3.08Å |
| 147 | I | 94.9 | Very high | 89.1 | Confident | 70 Ų | 70 | 109.4 Ų | 109.4 | 36% | 0.359 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -44.5 | 178.6 | -68.4 | 169.8 | 0 | 0 | 0 | 111.3 | I143 N144 Q150 R151 | I143-I147 HydrophobicContact CG2-CD1 3.7Å; I143-I147 HydrophobicContact CG2-CG1 4.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.4Å; I143-I147 PolarHBondContact O-N 3.23Å; N144-I147 PolarHBondContact O-N 3.03Å; I147-Q150 PolarHBondContact O-N 3.33Å; I147-R151 WeakPolarHBondContact O-CG 3.5Å; I147-R151 PolarHBondContact O-N 2.73Å |
| 148 | I | 92.3 | Very high | 88.8 | Confident | 101 Ų | 101 | 111.6 Ų | 111.6 | 52% | 0.518 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -45.3 | 179.3 | -67.2 | 166.7 | 0 | 0 | 0 | 110.3 | N144 R145 Q150 R151 L152 | N144-I148 VanDerWaalsContact O-CG1 3.32Å; N144-I148 WeakPolarHBondContact O-CG1 3.38Å; N144-I148 PolarHBondContact O-N 3.37Å; N144-I148 VanDerWaalsContact O-N 3.09Å; R145-I148 PolarHBondContact O-N 3.34Å; I148-Q150 VanDerWaalsContact C-N 3.31Å; I148-Q150 PolarHBondContact O-N 3.14Å; I148-R151 PolarHBondContact O-N 2.88Å; I148-R151 VanDerWaalsContact O-N 3.13Å; I148-L152 PolarHBondContact O-N 2.95Å |
| 149 | N | 89.7 | Confident | 88.2 | Confident | 95 Ų | 95 | 113.9 Ų | 113.9 | 51% | 0.508 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.1 | -34.1 | -179.9 | -69.4 | -13.6 | 0 | 0 | 0 | 112.9 | R145 K146 L152 I153 | R145-N149 VanDerWaalsContact O-CG 3.26Å; R145-N149 PolarHBondContact O-N 2.87Å; R145-N149 VanDerWaalsContact O-N 3.09Å; R145-N149 PolarHBondContact O-ND2 3Å; K146-N149 PolarHBondContact O-N 2.71Å; N149-L152 PolarHBondContact O-N 3.39Å; N149-I153 WeakPolarHBondContact O-CD1 3.45Å; N149-I153 WeakPolarHBondContact O-CG1 3.49Å |
| 150 | Q | 86.4 | Confident | 87.6 | Confident | 132 Ų | 132 | 118.4 Ų | 118.4 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67 | -37.4 | 174.1 | -73.1 | 175 | 12.4 | 0 | 0 | 112.5 | K146 I147 I148 L152 I153 | K146-Q150 WeakPolarHBondContact O-CG 3.49Å; K146-Q150 PolarHBondContact O-N 3.33Å; K146-Q150 VanDerWaalsContact O-N 3.08Å; I147-Q150 PolarHBondContact O-N 3.33Å; I148-Q150 VanDerWaalsContact C-N 3.31Å; I148-Q150 PolarHBondContact O-N 3.14Å; Q150-L152 PolarHBondContact O-N 3.09Å; Q150-I153 PolarHBondContact O-N 3.14Å |
| 151 | R | 80 | Confident | 87 | Confident | 186 Ų | 186 | 119.5 Ų | 119.5 | 70% | 0.702 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.3 | -21.8 | 178.2 | -71.1 | -178.4 | -178 | -175.4 | 1.4 | 113.5 | I147 I148 I153 | I147-R151 WeakPolarHBondContact O-CG 3.5Å; I147-R151 PolarHBondContact O-N 2.73Å; I148-R151 PolarHBondContact O-N 2.88Å; I148-R151 VanDerWaalsContact O-N 3.13Å; R151-I153 VanDerWaalsContact C-N 3.26Å |
| 152 | L | 73.7 | Confident | 86.2 | Confident | 137 Ų | 137 | 125.4 Ų | 125.4 | 72% | 0.717 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -10 | 174.7 | -65.8 | 175.1 | 0 | 0 | 0 | 112.9 | I148 N149 Q150 | I148-L152 PolarHBondContact O-N 2.95Å; N149-L152 PolarHBondContact O-N 3.39Å; Q150-L152 PolarHBondContact O-N 3.09Å |
| 153 | I | 67.3 | Low | 85.2 | Confident | 146 Ų | 146 | 128.4 Ų | 128.4 | 75% | 0.749 | 61% | 0.612 | S | S | * | * | trans | -102.8 | -9.5 | -177.3 | -60.7 | 167.8 | 0 | 0 | 0 | 111.9 | N149 Q150 R151 | N149-I153 WeakPolarHBondContact O-CD1 3.45Å; N149-I153 WeakPolarHBondContact O-CG1 3.49Å; Q150-I153 PolarHBondContact O-N 3.14Å; R151-I153 VanDerWaalsContact C-N 3.26Å | ||
| 154 | L | 55.8 | Low | 84.1 | Confident | 213 Ų | 213 | 132.3 Ų | 132.3 | 100% | 1.115 | 63% | 0.628 | S | S | * | * | trans | -101.2 | 0 | 174.6 | -69.2 | 174 | 0 | 0 | 0 | 111 |
Retrieved 154 of 154 residues in 168.6 ms
(Link to these results)