| 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 | 51.1 | Low | 81.2 | Confident | 220 Ų | 220 | 114.3 Ų | 114.3 | 100% | 1.084 | 69% | 0.688 | S | S | * | * | 0 | 131.5 | 0 | -66.3 | -72.1 | -171.9 | 0 | 0 | 107.9 | A3 | M1-A3 PolarHBondContact O-N 2.7Š| |||
| 2 | P | 53.9 | Low | 82.3 | Confident | 98 Ų | 98 | 110.5 Ų | 110.5 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | -65.7 | 119.7 | 179.4 | 26.4 | -30.6 | 0 | 0 | 0 | 109.3 | G4 | P2-G4 PolarHBondContact O-N 3.38Š| ||
| 3 | A | 68.3 | Low | 83.3 | Confident | 114 Ų | 114 | 116.6 Ų | 116.6 | 94% | 0.942 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 106.6 | 177 | 0 | 0 | 0 | 0 | 0 | 109 | M1 | M1-A3 PolarHBondContact O-N 2.7Š|
| 4 | G | 82.2 | Confident | 84.1 | Confident | 80 Ų | 80 | 118.8 Ų | 118.8 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.1 | -17.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P2 | P2-G4 PolarHBondContact O-N 3.38Š|
| 5 | K | 87.4 | Confident | 84.7 | Confident | 122 Ų | 122 | 115.4 Ų | 115.4 | 53% | 0.53 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -105.3 | 136.5 | 172.6 | -65.9 | 179.5 | -174.2 | 171.1 | 0 | 110.6 | L15 | K5-L15 HydrophobicContact CB-CD2 4.23Š|
| 6 | P | 90.2 | Very high | 85.4 | Confident | 39 Ų | 39 | 116.9 Ų | 116.9 | 25% | 0.253 | 65% | 0.649 | S | S | . | * | trans | -65.6 | 139.3 | 175.1 | 29 | -35.1 | 0 | 0 | 0 | 110.7 | T11 K14 L15 | P6-T11 HydrophobicContact CB-CG2 3.96Å; P6-K14 HydrophobicContact CG-CB 4.36Å; P6-K14 HydrophobicContact CG-CD 3.96Å; P6-K14 HydrophobicContact CG-CG 4.02Å; P6-L15 HydrophobicContact CG-CD2 4.03Å; P6-L15 HydrophobicContact CG-CG 4.26Å | ||
| 7 | S | 88.8 | Confident | 86 | Confident | 111 Ų | 111 | 113.5 Ų | 113.5 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | trans | -117.8 | 3.8 | -178 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 8 | G | 90.8 | Very high | 86.5 | Confident | 39 Ų | 39 | 111.8 Ų | 111.8 | 40% | 0.402 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -73.9 | 151.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K10 T11 | G8-K10 VanDerWaalsContact C-N 3.27Å; G8-K10 PolarHBondContact O-N 3.05Å; G8-K10 VanDerWaalsContact O-N 3.14Å; G8-T11 WeakPolarHBondContact O-CB 3.46Å; G8-T11 WeakPolarHBondContact O-CG2 3.49Å; G8-T11 PolarHBondContact O-N 2.92Å; G8-T11 PolarHBondContact O-OG1 3.33Å |
| 9 | L | 91.9 | Very high | 86.9 | Confident | 185 Ų | 185 | 113.5 Ų | 113.5 | 97% | 0.969 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -36.9 | -177 | -71.4 | 165.4 | 0 | 0 | 0 | 114.1 | ||
| 10 | K | 94.8 | Very high | 87.2 | Confident | 210 Ų | 210 | 115.2 Ų | 115.2 | 91% | 0.913 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 18.3 | -178.4 | -62.6 | -176.6 | 179.4 | 178.6 | 0 | 114.3 | G8 | G8-K10 VanDerWaalsContact C-N 3.27Å; G8-K10 PolarHBondContact O-N 3.05Å; G8-K10 VanDerWaalsContact O-N 3.14Å |
| 11 | T | 93.9 | Very high | 87.6 | Confident | 39 Ų | 39 | 114.3 Ų | 114.3 | 24% | 0.239 | 61% | 0.608 | C | S | . | * | trans | -100.5 | 8.6 | -172.6 | 67.9 | 0 | 0 | 0 | 0 | 115.2 | P6 G8 R13 K14 L15 | P6-T11 HydrophobicContact CB-CG2 3.96Å; G8-T11 WeakPolarHBondContact O-CB 3.46Å; G8-T11 WeakPolarHBondContact O-CG2 3.49Å; G8-T11 PolarHBondContact O-N 2.92Å; G8-T11 PolarHBondContact O-OG1 3.33Å; T11-R13 VanDerWaalsContact C-N 3.34Å; T11-R13 PolarHBondContact O-N 3.2Å; T11-K14 PolarHBondContact O-N 3.1Å; T11-K14 VanDerWaalsContact O-N 3.15Å; T11-L15 PolarHBondContact O-N 3.4Å | ||
| 12 | A | 94.1 | Very high | 89.6 | Confident | 69 Ų | 69 | 108.3 Ų | 108.3 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -54.5 | -41 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K14 L15 R16 | A12-K14 PolarHBondContact O-N 3.38Å; A12-L15 PolarHBondContact O-N 3.08Å; A12-R16 WeakPolarHBondContact O-CB 3.47Å; A12-R16 PolarHBondContact O-N 3.03Å |
| 13 | R | 95.6 | Very high | 91.6 | Very high | 190 Ų | 190 | 108.6 Ų | 108.6 | 72% | 0.717 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.9 | -48.9 | 178.5 | -176.2 | -176.2 | -66 | -130.4 | 2.7 | 111.5 | T11 L15 R16 D17 | T11-R13 VanDerWaalsContact C-N 3.34Å; T11-R13 PolarHBondContact O-N 3.2Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.4Å; R13-R16 PolarHBondContact O-N 3.47Å; R13-D17 WeakPolarHBondContact CG-OD2 3.5Å; R13-D17 VanDerWaalsContact O-CG 3.27Å; R13-D17 PolarHBondContact O-N 3.41Å |
| 14 | K | 93.8 | Very high | 92.9 | Very high | 147 Ų | 147 | 108.7 Ų | 108.7 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 179.9 | -175.7 | 164.2 | 175.8 | 173.5 | 0 | 111.4 | P6 T11 A12 H18 | P6-K14 HydrophobicContact CG-CB 4.36Å; P6-K14 HydrophobicContact CG-CD 3.96Å; P6-K14 HydrophobicContact CG-CG 4.02Å; T11-K14 PolarHBondContact O-N 3.1Å; T11-K14 VanDerWaalsContact O-N 3.15Å; A12-K14 PolarHBondContact O-N 3.38Å; K14-H18 WeakPolarHBondContact O-CB 3.32Å; K14-H18 PolarHBondContact O-N 2.85Å |
| 15 | L | 94.5 | Very high | 93.5 | Very high | 68 Ų | 68 | 109.3 Ų | 109.3 | 36% | 0.356 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.1 | -70.5 | 173.8 | 0 | 0 | 0 | 112.4 | K5 P6 T11 A12 R13 R19 | K5-L15 HydrophobicContact CB-CD2 4.23Å; P6-L15 HydrophobicContact CG-CD2 4.03Å; P6-L15 HydrophobicContact CG-CG 4.26Å; T11-L15 PolarHBondContact O-N 3.4Å; A12-L15 PolarHBondContact O-N 3.08Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.4Å; L15-R19 PolarHBondContact O-N 2.96Å |
| 16 | R | 95.6 | Very high | 93.9 | Very high | 140 Ų | 140 | 107.4 Ų | 107.4 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 177.9 | -175.1 | -168.6 | 71.1 | -177.4 | -0.9 | 111.8 | A12 R13 H18 R19 R20 | A12-R16 WeakPolarHBondContact O-CB 3.47Å; A12-R16 PolarHBondContact O-N 3.03Å; R13-R16 PolarHBondContact O-N 3.47Å; R16-H18 VanDerWaalsContact C-N 3.35Å; R16-R19 PolarHBondContact O-N 3.24Å; R16-R20 WeakPolarHBondContact O-CB 3.4Å; R16-R20 PolarHBondContact O-N 2.9Å |
| 17 | D | 95.6 | Very high | 94 | Very high | 58 Ų | 58 | 114.3 Ų | 114.3 | 31% | 0.31 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.7 | -38.4 | -175.7 | -61.7 | -16.5 | 0 | 0 | 0 | 110.2 | R13 R19 R20 T21 | R13-D17 WeakPolarHBondContact CG-OD2 3.5Å; R13-D17 VanDerWaalsContact O-CG 3.27Å; R13-D17 PolarHBondContact O-N 3.41Å; D17-R19 PolarHBondContact O-N 2.96Å; D17-R20 WeakPolarHBondContact O-CB 3.27Å; D17-R20 PolarHBondContact O-N 2.86Å; D17-T21 PolarHBondContact O-N 3.03Å; D17-T21 PolarHBondContact O-OG1 2.9Å |
| 18 | H | 93.7 | Very high | 94.2 | Very high | 83 Ų | 83 | 112.3 Ų | 112.3 | 38% | 0.384 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 170.7 | 179.9 | 83.6 | 0 | 0 | 0 | 112 | K14 R16 R20 T21 Q22 | K14-H18 WeakPolarHBondContact O-CB 3.32Å; K14-H18 PolarHBondContact O-N 2.85Å; R16-H18 VanDerWaalsContact C-N 3.35Å; H18-R20 VanDerWaalsContact C-N 3.31Å; H18-R20 PolarHBondContact O-N 3.11Å; H18-T21 PolarHBondContact O-N 3.49Å; H18-Q22 WeakPolarHBondContact O-CB 3.19Å; H18-Q22 VanDerWaalsContact O-CG 3.28Å; H18-Q22 WeakPolarHBondContact O-CG 3.24Å; H18-Q22 PolarHBondContact O-N 2.98Å |
| 19 | R | 94.1 | Very high | 94.4 | Very high | 144 Ų | 144 | 112.7 Ų | 112.7 | 54% | 0.543 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 177 | -178.8 | 56.4 | 171.7 | 149.7 | -2.9 | 111.6 | L15 R16 D17 Q22 R23 | L15-R19 PolarHBondContact O-N 2.96Å; R16-R19 PolarHBondContact O-N 3.24Å; D17-R19 PolarHBondContact O-N 2.96Å; R19-Q22 PolarHBondContact O-N 3.06Å; R19-R23 WeakPolarHBondContact O-CB 3.47Å; R19-R23 PolarHBondContact O-N 3.37Å |
| 20 | R | 94.7 | Very high | 94.5 | Very high | 148 Ų | 148 | 109 Ų | 109 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60 | -48.2 | 177.2 | -177.2 | -177.5 | -73 | -168.4 | -4.2 | 111.1 | R16 D17 H18 R23 W24 | R16-R20 WeakPolarHBondContact O-CB 3.4Å; R16-R20 PolarHBondContact O-N 2.9Å; D17-R20 WeakPolarHBondContact O-CB 3.27Å; D17-R20 PolarHBondContact O-N 2.86Å; H18-R20 VanDerWaalsContact C-N 3.31Å; H18-R20 PolarHBondContact O-N 3.11Å; R20-R23 PolarHBondContact O-N 3.47Å; R20-W24 VanDerWaalsContact O-CD1 3.28Å |
| 21 | T | 94.9 | Very high | 94.3 | Very high | 97 Ų | 97 | 104.1 Ų | 104.1 | 60% | 0.595 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -46.9 | 177.7 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | D17 H18 R23 W24 | D17-T21 PolarHBondContact O-N 3.03Å; D17-T21 PolarHBondContact O-OG1 2.9Å; H18-T21 PolarHBondContact O-N 3.49Å; T21-R23 PolarHBondContact O-N 3.46Å; T21-W24 WeakPolarHBondContact O-CB 3.45Å; T21-W24 PolarHBondContact O-N 3.31Å; T21-W24 VanDerWaalsContact O-N 3.14Å |
| 22 | Q | 93.9 | Very high | 94.1 | Very high | 94 Ų | 94 | 105.1 Ų | 105.1 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -27.4 | 179.7 | -71.4 | -62.4 | -24.5 | 0 | 0 | 113.3 | H18 R19 W24 S25 | H18-Q22 WeakPolarHBondContact O-CB 3.19Å; H18-Q22 VanDerWaalsContact O-CG 3.28Å; H18-Q22 WeakPolarHBondContact O-CG 3.24Å; H18-Q22 PolarHBondContact O-N 2.98Å; R19-Q22 PolarHBondContact O-N 3.06Å; Q22-W24 PolarHBondContact O-N 3.01Å; Q22-S25 WeakPolarHBondContact O-CB 3.1Å; Q22-S25 PolarHBondContact O-N 2.78Å; Q22-S25 VanDerWaalsContact O-N 3.15Å |
| 23 | R | 95.3 | Very high | 94 | Very high | 104 Ų | 104 | 106.7 Ų | 106.7 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -26.7 | 177.9 | -147.7 | -173.7 | -86.7 | -176.5 | -12 | 112.2 | R19 R20 T21 S25 D26 Y29 | R19-R23 WeakPolarHBondContact O-CB 3.47Å; R19-R23 PolarHBondContact O-N 3.37Å; R20-R23 PolarHBondContact O-N 3.47Å; T21-R23 PolarHBondContact O-N 3.46Å; R23-S25 VanDerWaalsContact C-N 3.27Å; R23-S25 PolarHBondContact O-N 3.1Å; R23-D26 WeakPolarHBondContact O-CB 2.9Å; R23-D26 PolarHBondContact O-N 2.78Å; R23-Y29 HydrophobicContact CB-CD1 4.09Å; R23-Y29 HydrophobicContact CB-CE1 4.13Å; R23-Y29 HydrophobicContact CB-CG 4.36Å; R23-Y29 VanDerWaalsContact CD-CZ 3.44Å; R23-Y29 HydrophobicContact CG-CD1 3.86Å; R23-Y29 HydrophobicContact CG-CD2 3.68Å; R23-Y29 HydrophobicContact CG-CE1 4.11Å; R23-Y29 HydrophobicContact CG-CE2 3.93Å; R23-Y29 HydrophobicContact CG-CG 3.62Å; R23-Y29 WeakPolarHBondContact O-CB 3.31Å; R23-Y29 VanDerWaalsContact O-CD1 3.25Å; R23-Y29 WeakPolarHBondContact O-CD1 3.35Å |
| 24 | W | 95.4 | Very high | 93.7 | Very high | 116 Ų | 116 | 101.7 Ų | 101.7 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.7 | 177.3 | -71.2 | 104.2 | 0 | 0 | 0 | 114.2 | R20 T21 Q22 D26 Y29 H33 I34 | R20-W24 VanDerWaalsContact O-CD1 3.28Å; T21-W24 WeakPolarHBondContact O-CB 3.45Å; T21-W24 PolarHBondContact O-N 3.31Å; T21-W24 VanDerWaalsContact O-N 3.14Å; Q22-W24 PolarHBondContact O-N 3.01Å; W24-D26 VanDerWaalsContact C-N 3.29Å; W24-Y29 HydrophobicContact CD2-CD1 4.35Å; W24-Y29 AromaticContact CD2-CE1 4Å; W24-Y29 HydrophobicContact CD2-CE1 4Å; W24-Y29 AromaticContact CE2-CE1 4Å; W24-Y29 HydrophobicContact CE3-CD1 4.32Å; W24-Y29 HydrophobicContact CE3-CE1 4.24Å; W24-Y29 HydrophobicContact CG-CE1 4.46Å; W24-Y29 HydrophobicContact CZ2-CE1 4.27Å; W24-Y29 HydrophobicContact CZ3-CE1 4.49Å; W24-H33 HydrophobicContact CH2-CB 3.73Å; W24-H33 HydrophobicContact CZ3-CB 3.88Å; W24-I34 HydrophobicContact CZ3-CG1 4.26Å |
| 25 | S | 94.4 | Very high | 93.4 | Very high | 93 Ų | 93 | 95 Ų | 95 | 65% | 0.65 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -21.5 | 172 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | Q22 R23 K27 | Q22-S25 WeakPolarHBondContact O-CB 3.1Å; Q22-S25 PolarHBondContact O-N 2.78Å; Q22-S25 VanDerWaalsContact O-N 3.15Å; R23-S25 VanDerWaalsContact C-N 3.27Å; R23-S25 PolarHBondContact O-N 3.1Å; S25-K27 PolarHBondContact O-N 2.69Å |
| 26 | D | 95.1 | Very high | 93.1 | Very high | 82 Ų | 82 | 94.9 Ų | 94.9 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -72.1 | 116.7 | 172.6 | -177.9 | -20.7 | 0 | 0 | 0 | 109.9 | R23 W24 A28 Y29 K30 | R23-D26 WeakPolarHBondContact O-CB 2.9Å; R23-D26 PolarHBondContact O-N 2.78Å; W24-D26 VanDerWaalsContact C-N 3.29Å; D26-A28 VanDerWaalsContact C-N 3.27Å; D26-A28 PolarHBondContact O-N 3.34Å; D26-A28 WeakPolarHBondContact OD1-CB 3.4Å; D26-A28 PolarHBondContact OD1-N 3.49Å; D26-Y29 PolarHBondContact O-N 3.36Å; D26-Y29 PolarHBondContact OD1-N 2.9Å; D26-K30 VanDerWaalsContact O-CB 3.31Å; D26-K30 WeakPolarHBondContact O-CB 3.45Å; D26-K30 PolarHBondContact O-N 2.76Å |
| 27 | K | 93.1 | Very high | 92.5 | Very high | 184 Ų | 184 | 95.2 Ų | 95.2 | 80% | 0.8 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.9 | -36.3 | -179.6 | -66.1 | 178.6 | -178.6 | 174.4 | 0 | 112.6 | S25 K31 | S25-K27 PolarHBondContact O-N 2.69Å; K27-K31 VanDerWaalsContact O-CB 3.23Å; K27-K31 WeakPolarHBondContact O-CB 3.34Å; K27-K31 PolarHBondContact O-N 2.75Å |
| 28 | A | 93 | Very high | 92.1 | Very high | 69 Ų | 69 | 99.5 Ų | 99.5 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.2 | -46.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D26 K31 A32 | D26-A28 VanDerWaalsContact C-N 3.27Å; D26-A28 PolarHBondContact O-N 3.34Å; D26-A28 WeakPolarHBondContact OD1-CB 3.4Å; D26-A28 PolarHBondContact OD1-N 3.49Å; A28-K31 PolarHBondContact O-N 3.42Å; A28-A32 WeakPolarHBondContact O-CB 3.47Å; A28-A32 PolarHBondContact O-N 2.88Å |
| 29 | Y | 94.7 | Very high | 91.8 | Very high | 46 Ų | 46 | 103.9 Ų | 103.9 | 18% | 0.18 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 175.2 | -175.4 | -97.7 | 0 | 0 | 0 | 111.2 | R23 W24 D26 K31 A32 H33 | R23-Y29 HydrophobicContact CB-CD1 4.09Å; R23-Y29 HydrophobicContact CB-CE1 4.13Å; R23-Y29 HydrophobicContact CB-CG 4.36Å; R23-Y29 VanDerWaalsContact CD-CZ 3.44Å; R23-Y29 HydrophobicContact CG-CD1 3.86Å; R23-Y29 HydrophobicContact CG-CD2 3.68Å; R23-Y29 HydrophobicContact CG-CE1 4.11Å; R23-Y29 HydrophobicContact CG-CE2 3.93Å; R23-Y29 HydrophobicContact CG-CG 3.62Å; R23-Y29 WeakPolarHBondContact O-CB 3.31Å; R23-Y29 VanDerWaalsContact O-CD1 3.25Å; R23-Y29 WeakPolarHBondContact O-CD1 3.35Å; W24-Y29 HydrophobicContact CD2-CD1 4.35Å; W24-Y29 AromaticContact CD2-CE1 4Å; W24-Y29 HydrophobicContact CD2-CE1 4Å; W24-Y29 AromaticContact CE2-CE1 4Å; W24-Y29 HydrophobicContact CE3-CD1 4.32Å; W24-Y29 HydrophobicContact CE3-CE1 4.24Å; W24-Y29 HydrophobicContact CG-CE1 4.46Å; W24-Y29 HydrophobicContact CZ2-CE1 4.27Å; W24-Y29 HydrophobicContact CZ3-CE1 4.49Å; D26-Y29 PolarHBondContact O-N 3.36Å; D26-Y29 PolarHBondContact OD1-N 2.9Å; Y29-K31 PolarHBondContact O-N 3.5Å; Y29-A32 PolarHBondContact O-N 3.09Å; Y29-H33 AromaticContact CD1-ND1 3.98Å; Y29-H33 AromaticContact CD2-CE1 3.32Å; Y29-H33 WeakPolarHBondContact CD2-CE1 3.42Å; Y29-H33 AromaticContact CD2-ND1 3.56Å; Y29-H33 AromaticContact CE1-ND1 3.9Å; Y29-H33 AromaticContact CE2-CE1 2.99Å; Y29-H33 WeakPolarHBondContact CE2-CE1 3.36Å; Y29-H33 AromaticContact CE2-ND1 3.49Å; Y29-H33 WeakPolarHBondContact CE2-ND1 3.41Å; Y29-H33 AromaticContact CE2-NE2 3.41Å; Y29-H33 WeakPolarHBondContact CE2-NE2 3.46Å; Y29-H33 AromaticContact CG-ND1 3.83Å; Y29-H33 AromaticContact CZ-CD2 3.88Å; Y29-H33 AromaticContact CZ-CE1 3.5Å; Y29-H33 VanDerWaalsContact CZ-CE1 3.5Å; Y29-H33 AromaticContact CZ-CG 3.93Å; Y29-H33 AromaticContact CZ-ND1 3.67Å; Y29-H33 AromaticContact CZ-NE2 3.59Å; Y29-H33 PolarHBondContact O-N 3.46Å; Y29-H33 VanDerWaalsContact O-N 3.07Å; Y29-H33 PolarHBondContact O-ND1 2.9Å |
| 30 | K | 94.3 | Very high | 91.7 | Very high | 107 Ų | 107 | 100 Ų | 100 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.8 | -47.9 | 178.1 | -173.3 | 173.5 | -175.7 | 175 | 0 | 111.8 | D26 A32 H33 I34 | D26-K30 VanDerWaalsContact O-CB 3.31Å; D26-K30 WeakPolarHBondContact O-CB 3.45Å; D26-K30 PolarHBondContact O-N 2.76Å; K30-A32 VanDerWaalsContact C-N 3.3Å; K30-A32 PolarHBondContact O-N 2.85Å; K30-H33 PolarHBondContact O-N 2.87Å; K30-I34 HydrophobicContact CD-CD1 4Å; K30-I34 VanDerWaalsContact CE-CD1 3.41Å; K30-I34 HydrophobicContact CG-CD1 3.35Å; K30-I34 HydrophobicContact CG-CG1 4.06Å; K30-I34 WeakPolarHBondContact O-CB 3.45Å; K30-I34 VanDerWaalsContact O-CG1 3.31Å; K30-I34 WeakPolarHBondContact O-CG1 3.46Å; K30-I34 PolarHBondContact O-N 3.23Å |
| 31 | K | 90 | Very high | 91.5 | Very high | 108 Ų | 108 | 95 Ų | 95 | 47% | 0.47 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -33.3 | 179.8 | -172.2 | 174 | -177.6 | 176.7 | 0 | 112.9 | K27 A28 Y29 | K27-K31 VanDerWaalsContact O-CB 3.23Å; K27-K31 WeakPolarHBondContact O-CB 3.34Å; K27-K31 PolarHBondContact O-N 2.75Å; A28-K31 PolarHBondContact O-N 3.42Å; Y29-K31 PolarHBondContact O-N 3.5Å |
| 32 | A | 90.4 | Very high | 91.5 | Very high | 60 Ų | 60 | 91 Ų | 91 | 50% | 0.496 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.4 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A28 Y29 K30 | A28-A32 WeakPolarHBondContact O-CB 3.47Å; A28-A32 PolarHBondContact O-N 2.88Å; Y29-A32 PolarHBondContact O-N 3.09Å; K30-A32 VanDerWaalsContact C-N 3.3Å; K30-A32 PolarHBondContact O-N 2.85Å |
| 33 | H | 92.1 | Very high | 91.5 | Very high | 103 Ų | 103 | 86.7 Ų | 86.7 | 48% | 0.477 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -94.1 | -26.9 | -172.4 | -66.4 | 73.4 | 0 | 0 | 0 | 114.3 | W24 Y29 K30 G35 | W24-H33 HydrophobicContact CH2-CB 3.73Å; W24-H33 HydrophobicContact CZ3-CB 3.88Å; Y29-H33 AromaticContact CD1-ND1 3.98Å; Y29-H33 AromaticContact CD2-CE1 3.32Å; Y29-H33 WeakPolarHBondContact CD2-CE1 3.42Å; Y29-H33 AromaticContact CD2-ND1 3.56Å; Y29-H33 AromaticContact CE1-ND1 3.9Å; Y29-H33 AromaticContact CE2-CE1 2.99Å; Y29-H33 WeakPolarHBondContact CE2-CE1 3.36Å; Y29-H33 AromaticContact CE2-ND1 3.49Å; Y29-H33 WeakPolarHBondContact CE2-ND1 3.41Å; Y29-H33 AromaticContact CE2-NE2 3.41Å; Y29-H33 WeakPolarHBondContact CE2-NE2 3.46Å; Y29-H33 AromaticContact CG-ND1 3.83Å; Y29-H33 AromaticContact CZ-CD2 3.88Å; Y29-H33 AromaticContact CZ-CE1 3.5Å; Y29-H33 VanDerWaalsContact CZ-CE1 3.5Å; Y29-H33 AromaticContact CZ-CG 3.93Å; Y29-H33 AromaticContact CZ-ND1 3.67Å; Y29-H33 AromaticContact CZ-NE2 3.59Å; Y29-H33 PolarHBondContact O-N 3.46Å; Y29-H33 VanDerWaalsContact O-N 3.07Å; Y29-H33 PolarHBondContact O-ND1 2.9Å; K30-H33 PolarHBondContact O-N 2.87Å; H33-G35 PolarHBondContact O-N 2.91Å |
| 34 | I | 90.2 | Very high | 91.4 | Very high | 84 Ų | 84 | 87.9 Ų | 87.9 | 43% | 0.431 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -71.6 | -21.2 | 177.2 | -69.3 | -176.9 | 0 | 0 | 0 | 112.1 | W24 K30 T36 | W24-I34 HydrophobicContact CZ3-CG1 4.26Å; K30-I34 HydrophobicContact CD-CD1 4Å; K30-I34 VanDerWaalsContact CE-CD1 3.41Å; K30-I34 HydrophobicContact CG-CD1 3.35Å; K30-I34 HydrophobicContact CG-CG1 4.06Å; K30-I34 WeakPolarHBondContact O-CB 3.45Å; K30-I34 VanDerWaalsContact O-CG1 3.31Å; K30-I34 WeakPolarHBondContact O-CG1 3.46Å; K30-I34 PolarHBondContact O-N 3.23Å; I34-T36 VanDerWaalsContact C-N 3.26Å; I34-T36 VanDerWaalsContact CG2-OG1 3.22Å; I34-T36 WeakPolarHBondContact CG2-OG1 3.44Å; I34-T36 PolarHBondContact O-N 2.83Å |
| 35 | G | 87.6 | Confident | 91.1 | Very high | 6 Ų | 6 | 83.3 Ų | 83.3 | 6% | 0.062 | 43% | 0.425 | C | S | . | . | trans | 73.2 | 14.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | H33 R37 W38 K39 | H33-G35 PolarHBondContact O-N 2.91Å; G35-R37 PolarHBondContact O-N 3.15Å; G35-R37 VanDerWaalsContact O-N 3.08Å; G35-W38 PolarHBondContact O-N 3.49Å; G35-K39 PolarHBondContact O-N 3.28Å | ||
| 36 | T | 86.3 | Confident | 91.1 | Very high | 66 Ų | 66 | 81.2 Ų | 81.2 | 41% | 0.405 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -53.5 | -30 | 172 | -42.7 | 0 | 0 | 0 | 0 | 111.9 | I34 W38 K39 A40 | I34-T36 VanDerWaalsContact C-N 3.26Å; I34-T36 VanDerWaalsContact CG2-OG1 3.22Å; I34-T36 WeakPolarHBondContact CG2-OG1 3.44Å; I34-T36 PolarHBondContact O-N 2.83Å; T36-W38 PolarHBondContact O-N 2.96Å; T36-K39 PolarHBondContact O-N 2.93Å; T36-A40 HydrophobicContact CG2-CB 3.74Å; T36-A40 WeakPolarHBondContact O-CB 3.32Å; T36-A40 PolarHBondContact O-N 2.92Å |
| 37 | R | 84.3 | Confident | 91.1 | Very high | 147 Ų | 147 | 81.5 Ų | 81.5 | 56% | 0.555 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -55.9 | -34.5 | 176.5 | -179.9 | 178.6 | 175 | 174.7 | -2.4 | 113 | G35 N41 G45 | G35-R37 PolarHBondContact O-N 3.15Å; G35-R37 VanDerWaalsContact O-N 3.08Å; R37-N41 WeakPolarHBondContact O-CB 3.27Å; R37-G45 PolarHBondContact NH2-O 2.81Å |
| 38 | W | 86.8 | Confident | 91.3 | Very high | 149 Ų | 149 | 76.8 Ų | 76.8 | 56% | 0.564 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -93.8 | -39.4 | -177.9 | -52.5 | -72.4 | 0 | 0 | 0 | 112 | G35 T36 | G35-W38 PolarHBondContact O-N 3.49Å; T36-W38 PolarHBondContact O-N 2.96Å |
| 39 | K | 87.7 | Confident | 91.5 | Very high | 175 Ų | 175 | 73.8 Ų | 73.8 | 76% | 0.761 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -74 | -50.5 | -177 | -64 | -175.9 | 178.5 | -177.8 | 0 | 112.8 | G35 T36 | G35-K39 PolarHBondContact O-N 3.28Å; T36-K39 PolarHBondContact O-N 2.93Å |
| 40 | A | 90.9 | Very high | 91.6 | Very high | 63 Ų | 63 | 76.7 Ų | 76.7 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -26.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T36 | T36-A40 HydrophobicContact CG2-CB 3.74Å; T36-A40 WeakPolarHBondContact O-CB 3.32Å; T36-A40 PolarHBondContact O-N 2.92Å |
| 41 | N | 92.2 | Very high | 91.8 | Very high | 41 Ų | 41 | 71.6 Ų | 71.6 | 22% | 0.219 | 37% | 0.37 | C | S | . | . | trans | -70.4 | 125.3 | -178.7 | -173.1 | -10 | 0 | 0 | 0 | 110.3 | R37 F43 K44 | R37-N41 WeakPolarHBondContact O-CB 3.27Å; N41-F43 PolarHBondContact O-N 2.88Å; N41-F43 VanDerWaalsContact O-N 3.13Å; N41-F43 PolarHBondContact OD1-N 3.09Å; N41-K44 PolarHBondContact O-N 3.28Å | ||
| 42 | P | 94.2 | Very high | 92.2 | Very high | 13 Ų | 13 | 68 Ų | 68 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.2 | 174.1 | 25 | -35 | 0 | 0 | 0 | 112.2 | K44 L76 K78 N79 K81 I83 F122 | P42-K44 VanDerWaalsContact C-N 3.34Å; P42-L76 HydrophobicContact CB-CD1 3.93Å; P42-L76 WeakPolarHBondContact O-CD1 3.45Å; P42-K78 VanDerWaalsContact O-CE 3.31Å; P42-K78 WeakPolarHBondContact O-CE 3.47Å; P42-N79 PolarHBondContact O-ND2 2.86Å; P42-K81 HydrophobicContact CB-CD 4.27Å; P42-I83 HydrophobicContact CB-CG2 3.88Å; P42-I83 HydrophobicContact CG-CG2 4.17Å; P42-F122 HydrophobicContact CG-CE1 4.36Å; P42-F122 HydrophobicContact CG-CE2 3.85Å; P42-F122 HydrophobicContact CG-CZ 3.39Å |
| 43 | F | 94.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 2% | 0.022 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 0.9 | 176.7 | -72.2 | 11.3 | 0 | 0 | 0 | 114.1 | N41 G45 A46 A49 L76 K78 I83 V104 F122 | N41-F43 PolarHBondContact O-N 2.88Å; N41-F43 VanDerWaalsContact O-N 3.13Å; N41-F43 PolarHBondContact OD1-N 3.09Å; F43-G45 PolarHBondContact O-N 2.83Å; F43-A46 WeakPolarHBondContact CB-O 3.45Å; F43-A46 WeakPolarHBondContact O-CB 3.45Å; F43-A46 PolarHBondContact O-N 2.85Å; F43-A49 HydrophobicContact CD1-CB 3.7Å; F43-A49 HydrophobicContact CD2-CB 4.46Å; F43-A49 HydrophobicContact CE1-CB 3.58Å; F43-A49 HydrophobicContact CE2-CB 4.35Å; F43-A49 HydrophobicContact CG-CB 4.16Å; F43-A49 HydrophobicContact CZ-CB 3.92Å; F43-L76 HydrophobicContact CD1-CD1 3.91Å; F43-L76 HydrophobicContact CE1-CD1 4.03Å; F43-L76 HydrophobicContact CE1-CD2 4.13Å; F43-K78 VanDerWaalsContact CA-NZ 3.28Å; F43-K78 PolarHBondContact O-NZ 3.07Å; F43-I83 HydrophobicContact CE1-CD1 3.94Å; F43-V104 HydrophobicContact CZ-CB 4.01Å; F43-V104 HydrophobicContact CZ-CG1 3.86Å; F43-F122 HydrophobicContact CD1-CE1 4.15Å; F43-F122 HydrophobicContact CD2-CE1 4.3Å; F43-F122 AromaticContact CE1-CD1 3.96Å; F43-F122 HydrophobicContact CE1-CD1 3.96Å; F43-F122 AromaticContact CE1-CE1 3.84Å; F43-F122 HydrophobicContact CE1-CE1 3.84Å; F43-F122 HydrophobicContact CE1-CZ 4.43Å; F43-F122 AromaticContact CE2-CD1 3.95Å; F43-F122 HydrophobicContact CE2-CD1 3.95Å; F43-F122 HydrophobicContact CE2-CE1 4.01Å; F43-F122 HydrophobicContact CG-CE1 4.37Å; F43-F122 AromaticContact CZ-CD1 3.54Å; F43-F122 HydrophobicContact CZ-CD1 3.54Å; F43-F122 AromaticContact CZ-CE1 3.77Å; F43-F122 HydrophobicContact CZ-CE1 3.77Å; F43-F122 HydrophobicContact CZ-CG 4.37Å |
| 44 | K | 92.2 | Very high | 92.8 | Very high | 128 Ų | 128 | 62.7 Ų | 62.7 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 31.5 | -177.5 | -64.4 | -171.1 | 173.8 | -177.8 | 0 | 113.7 | N41 P42 | N41-K44 PolarHBondContact O-N 3.28Å; P42-K44 VanDerWaalsContact C-N 3.34Å |
| 45 | G | 90.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -10.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | R37 F43 | R37-G45 PolarHBondContact NH2-O 2.81Å; F43-G45 PolarHBondContact O-N 2.83Å |
| 46 | A | 94.1 | Very high | 93.6 | Very high | 49 Ų | 49 | 65.6 Ų | 65.6 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | trans | -70.8 | 157 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F43 | F43-A46 WeakPolarHBondContact CB-O 3.45Å; F43-A46 WeakPolarHBondContact O-CB 3.45Å; F43-A46 PolarHBondContact O-N 2.85Å | ||
| 47 | S | 94.7 | Very high | 94.1 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 62% | 0.622 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -76.8 | -37.5 | 177.2 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 48 | H | 96.7 | Very high | 94.7 | Very high | 84 Ų | 84 | 59.5 Ų | 59.5 | 39% | 0.389 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 160.7 | -178.5 | -59.6 | 79.3 | 0 | 0 | 0 | 111 | L103 V104 S105 | H48-L103 HydrophobicContact CB-CD1 4.08Å; H48-L103 HydrophobicContact CB-CG 4.48Å; H48-V104 CarbonylContact C-O 3.41Å; H48-V104 VanDerWaalsContact CA-O 3.26Å; H48-V104 WeakPolarHBondContact CA-O 3.43Å; H48-S105 WeakPolarHBondContact CD2-CB 3.28Å |
| 49 | A | 96.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 5% | 0.05 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 142.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F43 L76 V104 | F43-A49 HydrophobicContact CD1-CB 3.7Å; F43-A49 HydrophobicContact CD2-CB 4.46Å; F43-A49 HydrophobicContact CE1-CB 3.58Å; F43-A49 HydrophobicContact CE2-CB 4.35Å; F43-A49 HydrophobicContact CG-CB 4.16Å; F43-A49 HydrophobicContact CZ-CB 3.92Å; A49-L76 HydrophobicContact CB-CD1 4.49Å; A49-L76 HydrophobicContact CB-CD2 3.74Å; A49-V104 PolarHBondContact N-O 3.45Å; A49-V104 PolarHBondContact O-N 3.01Å |
| 50 | K | 97.7 | Very high | 95.6 | Very high | 108 Ų | 108 | 52.5 Ų | 52.5 | 47% | 0.47 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 143.5 | 168.1 | -168.5 | -172.2 | -91.7 | -158 | 0 | 109.5 | L77 E101 V102 | K50-L77 HydrophobicContact CB-CD1 4.29Å; K50-L77 HydrophobicContact CD-CD1 3.49Å; K50-L77 VanDerWaalsContact CD-CD1 3.49Å; K50-L77 HydrophobicContact CG-CD1 3.78Å; K50-L77 PolarHBondContact O-N 2.87Å; K50-E101 WeakPolarHBondContact CE-OE2 3.41Å; K50-E101 IonicContact NZ-OE1 2.69Å; K50-E101 IonicContact NZ-OE2 3.47Å; K50-E101 PolarHBondContact NZ-OE2 2.83Å; K50-V102 WeakPolarHBondContact CA-O 3.28Å |
| 51 | G | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 171.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q75 V102 | G51-Q75 CarbonylContact C-O 3.55Å; G51-Q75 WeakPolarHBondContact CA-O 3.42Å; G51-V102 PolarHBondContact N-O 2.96Å; G51-V102 WeakPolarHBondContact O-CG2 3.32Å; G51-V102 PolarHBondContact O-N 3.5Å |
| 52 | V | 98 | Very high | 96.2 | Very high | 32 Ų | 32 | 53.1 Ų | 53.1 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.1 | 178.1 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | V74 Q75 L77 D100 | V52-V74 CarbonylContact O-C 3.6Å; V52-V74 WeakPolarHBondContact O-CA 3.38Å; V52-Q75 PolarHBondContact N-O 2.96Å; V52-Q75 PolarHBondContact O-N 3.1Å; V52-L77 HydrophobicContact CG2-CD2 3.73Å; V52-L77 HydrophobicContact CG2-CG 4.26Å; V52-D100 WeakPolarHBondContact CA-O 3.47Å |
| 53 | V | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.9 | 176.9 | 174 | 0 | 0 | 0 | 0 | 110.4 | V72 I96 E97 N99 D100 V102 | V53-V72 HydrophobicContact CB-CG1 4Å; V53-V72 HydrophobicContact CG1-CG1 3.24Å; V53-V72 HydrophobicContact CG2-CG1 3.73Å; V53-I96 HydrophobicContact CG1-CG2 4.29Å; V53-I96 HydrophobicContact CG2-CG2 3.78Å; V53-E97 WeakPolarHBondContact CB-O 3.43Å; V53-E97 WeakPolarHBondContact CG1-O 3.45Å; V53-N99 WeakPolarHBondContact O-CA 3.42Å; V53-N99 PolarHBondContact O-N 3.25Å; V53-D100 HydrophobicContact CG2-CB 4.41Å; V53-D100 PolarHBondContact N-O 3.01Å; V53-V102 HydrophobicContact CG2-CB 4.49Å; V53-V102 HydrophobicContact CG2-CG1 3.61Å; V53-V102 HydrophobicContact CG2-CG2 4.02Å |
| 54 | L | 97.9 | Very high | 96.3 | Very high | 51 Ų | 51 | 65.8 Ų | 65.8 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -50.4 | 174.3 | -60.7 | 178.7 | 0 | 0 | 0 | 111.6 | R73 Q75 K82 | L54-R73 HydrophobicContact CB-CB 4.43Å; L54-R73 PolarHBondContact N-O 2.92Å; L54-Q75 HydrophobicContact CD1-CB 4.14Å; L54-Q75 HydrophobicContact CD2-CB 4.19Å; L54-Q75 HydrophobicContact CG-CB 4.18Å; L54-K82 HydrophobicContact CD1-CD 3.88Å; L54-K82 HydrophobicContact CD1-CG 4.02Å |
| 55 | E | 97.3 | Very high | 96.5 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 159.9 | -177.1 | 64.6 | 176.7 | -148.5 | 0 | 0 | 111.3 | V57 V72 R73 | E55-V57 HydrophobicContact CG-CG2 3.84Å; E55-V57 VanDerWaalsContact OE1-CG2 3.29Å; E55-V57 WeakPolarHBondContact OE1-CG2 3.38Å; E55-V72 WeakPolarHBondContact O-CA 3.38Å; E55-V72 WeakPolarHBondContact O-CG1 3.26Å; E55-R73 HydrophobicContact CG-CB 3.64Å; E55-R73 PolarHBondContact O-N 3.21Å; E55-R73 WeakPolarHBondContact OE1-CD 3.49Å; E55-R73 IonicContact OE1-CZ 2.86Å; E55-R73 IonicContact OE1-NE 3.6Å; E55-R73 PolarHBondContact OE1-NE 2.7Å; E55-R73 IonicContact OE1-NH1 2.65Å; E55-R73 PolarHBondContact OE1-NH1 2.98Å; E55-R73 IonicContact OE1-NH2 3.25Å; E55-R73 PolarHBondContact OE1-NH2 2.85Å; E55-R73 IonicContact OE2-CZ 3.42Å; E55-R73 VanDerWaalsContact OE2-CZ 3.25Å; E55-R73 IonicContact OE2-NE 3.5Å; E55-R73 IonicContact OE2-NH2 3.75Å; E55-R73 PolarHBondContact OE2-NH2 2.81Å |
| 56 | K | 97.4 | Very high | 96.7 | Very high | 90 Ų | 90 | 68.2 Ų | 68.2 | 39% | 0.391 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 133.8 | 171.9 | -61.1 | 177.8 | -179.7 | -175.3 | 0 | 109.6 | L93 I96 | K56-L93 HydrophobicContact CB-CD1 4.39Å; K56-L93 HydrophobicContact CD-CD1 4.1Å; K56-L93 HydrophobicContact CD-CD2 4.28Å; K56-L93 HydrophobicContact CD-CG 4.06Å; K56-L93 HydrophobicContact CG-CD1 4.03Å; K56-L93 PolarHBondContact NZ-O 2.83Å; K56-I96 WeakPolarHBondContact CE-O 3.2Å; K56-I96 PolarHBondContact NZ-O 3.38Å |
| 57 | V | 96.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 23% | 0.23 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 133.7 | -175.3 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | E55 V59 C71 R73 | E55-V57 HydrophobicContact CG-CG2 3.84Å; E55-V57 VanDerWaalsContact OE1-CG2 3.29Å; E55-V57 WeakPolarHBondContact OE1-CG2 3.38Å; V57-V59 HydrophobicContact CG1-CG2 4.32Å; V57-C71 PolarHBondContact N-O 3.04Å; V57-C71 CarbonylContact O-C 3.53Å; V57-C71 WeakPolarHBondContact O-CA 3.48Å; V57-C71 WeakPolarHBondContact O-CB 3.41Å; V57-C71 PolarHBondContact O-N 2.9Å; V57-R73 HydrophobicContact CG2-CB 4.19Å |
| 58 | G | 96.6 | Very high | 96.9 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 59 | V | 96.9 | Very high | 96.9 | Very high | 25 Ų | 25 | 68.3 Ų | 68.3 | 15% | 0.152 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.3 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | V57 R69 C71 I117 P118 V120 | V57-V59 HydrophobicContact CG1-CG2 4.32Å; V59-R69 PolarHBondContact N-O 2.84Å; V59-R69 WeakPolarHBondContact O-CB 3.18Å; V59-R69 PolarHBondContact O-N 2.87Å; V59-C71 HydrophobicContact CG2-CB 4.08Å; V59-I117 HydrophobicContact CG1-CG2 4.26Å; V59-P118 HydrophobicContact CG1-CG 3.85Å; V59-V120 HydrophobicContact CG2-CG2 4.19Å |
| 60 | E | 97.2 | Very high | 97 | Very high | 152 Ų | 152 | 73.1 Ų | 73.1 | 71% | 0.71 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140 | 175.7 | -68.1 | -177.2 | 170.1 | 0 | 0 | 111.6 | P118 | E60-P118 WeakPolarHBondContact O-CD 3.41Å; E60-P118 WeakPolarHBondContact O-CG 3.23Å |
| 61 | A | 97.7 | Very high | 97 | Very high | 13 Ų | 13 | 68 Ų | 68 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 152 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N65 A67 D116 | A61-N65 HydrophobicContact CB-CB 4.12Å; A61-A67 HydrophobicContact CB-CB 4.22Å; A61-A67 WeakPolarHBondContact CB-O 3.44Å; A61-A67 PolarHBondContact N-O 3Å; A61-D116 CarbonylContact C-O 3.52Å; A61-D116 WeakPolarHBondContact CA-O 3.37Å; A61-D116 HydrophobicContact CB-CB 4.31Å |
| 62 | K | 96.6 | Very high | 97 | Very high | 103 Ų | 103 | 68 Ų | 68 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 143.8 | 169 | -67.2 | 177.2 | -174.8 | 178.3 | 0 | 110.5 | N65 D116 P118 | K62-N65 PolarHBondContact O-N 2.95Å; K62-N65 VanDerWaalsContact O-N 3.1Å; K62-D116 HydrophobicContact CB-CB 4.44Å; K62-D116 WeakPolarHBondContact CG-O 3.31Å; K62-D116 PolarHBondContact N-O 3.29Å; K62-P118 HydrophobicContact CG-CB 4.26Å; K62-P118 HydrophobicContact CG-CG 4.44Å |
| 63 | Q | 94.4 | Very high | 97 | Very high | 165 Ų | 165 | 71.3 Ų | 71.3 | 77% | 0.771 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 139.9 | 165.4 | -64.7 | -59.3 | -42.3 | 0 | 0 | 110.4 | ||
| 64 | P | 96.6 | Very high | 97 | Very high | 120 Ų | 120 | 71.3 Ų | 71.3 | 78% | 0.779 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.1 | 6 | 12.6 | 36.6 | -38 | 0 | 0 | 0 | 115.2 | ||
| 65 | N | 97.1 | Very high | 97 | Very high | 73 Ų | 73 | 72.4 Ų | 72.4 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | trans | -84.9 | 146.5 | -176 | -62.4 | -16.8 | 0 | 0 | 0 | 111.2 | A61 K62 D116 | A61-N65 HydrophobicContact CB-CB 4.12Å; K62-N65 PolarHBondContact O-N 2.95Å; K62-N65 VanDerWaalsContact O-N 3.1Å; N65-D116 PolarHBondContact ND2-OD2 3.41Å | ||
| 66 | S | 95.1 | Very high | 97 | Very high | 126 Ų | 126 | 69.5 Ų | 69.5 | 88% | 0.881 | 37% | 0.367 | S | S | * | . | trans | -115.9 | 106.5 | 169.4 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 67 | A | 96.1 | Very high | 97 | Very high | 37 Ų | 37 | 70 Ų | 70 | 31% | 0.306 | 37% | 0.373 | S | S | . | . | trans | -164.7 | 152.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A61 | A61-A67 HydrophobicContact CB-CB 4.22Å; A61-A67 WeakPolarHBondContact CB-O 3.44Å; A61-A67 PolarHBondContact N-O 3Å | ||
| 68 | I | 96.5 | Very high | 96.9 | Very high | 105 Ų | 105 | 72.4 Ų | 72.4 | 54% | 0.538 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 110.6 | 167.9 | -60.1 | 172.9 | 0 | 0 | 0 | 108.7 | K70 | I68-K70 PolarHBondContact O-N 2.85Å |
| 69 | R | 97.1 | Very high | 96.8 | Very high | 81 Ų | 81 | 72.1 Ų | 72.1 | 31% | 0.306 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 118.7 | 178.1 | -59.7 | -67.9 | -176.4 | -154.4 | -2.4 | 109.7 | V59 C71 F86 D116 I117 | V59-R69 PolarHBondContact N-O 2.84Å; V59-R69 WeakPolarHBondContact O-CB 3.18Å; V59-R69 PolarHBondContact O-N 2.87Å; R69-C71 PolarHBondContact O-N 2.86Å; R69-F86 HydrophobicContact CB-CD2 4.43Å; R69-F86 HydrophobicContact CB-CE2 4.18Å; R69-D116 IonicContact CZ-OD1 2.69Å; R69-D116 IonicContact CZ-OD2 3.23Å; R69-D116 IonicContact NE-OD1 3.06Å; R69-D116 PolarHBondContact NE-OD1 3.07Å; R69-D116 IonicContact NE-OD2 3.7Å; R69-D116 PolarHBondContact NE-OD2 3.38Å; R69-D116 IonicContact NH2-OD1 3.01Å; R69-D116 PolarHBondContact NH2-OD1 2.96Å; R69-D116 IonicContact NH2-OD2 2.7Å; R69-D116 PolarHBondContact NH2-OD2 3.37Å; R69-I117 HydrophobicContact CB-CD1 4.35Å; R69-I117 HydrophobicContact CB-CG1 4.49Å; R69-I117 HydrophobicContact CB-CG2 4.16Å; R69-I117 HydrophobicContact CG-CD1 4.21Å; R69-I117 HydrophobicContact CG-CG1 3.98Å; R69-I117 HydrophobicContact CG-CG2 4.34Å |
| 70 | K | 97.5 | Very high | 96.7 | Very high | 107 Ų | 107 | 72.6 Ų | 72.6 | 47% | 0.465 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 115.3 | 179.6 | -57.8 | -53.9 | -176.9 | 176.9 | 0 | 110.4 | I68 F86 V87 L93 | I68-K70 PolarHBondContact O-N 2.85Å; K70-F86 VanDerWaalsContact O-CD2 3.32Å; K70-F86 WeakPolarHBondContact O-CD2 3.25Å; K70-V87 PolarHBondContact O-N 2.73Å; K70-V87 VanDerWaalsContact O-N 3.09Å; K70-L93 HydrophobicContact CB-CB 4.42Å; K70-L93 HydrophobicContact CB-CD2 4.08Å; K70-L93 HydrophobicContact CD-CD2 3.98Å; K70-L93 HydrophobicContact CG-CD2 4.16Å |
| 71 | C | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 170.1 | -179.5 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | V57 V59 R69 T84 A85 | V57-C71 PolarHBondContact N-O 3.04Å; V57-C71 CarbonylContact O-C 3.53Å; V57-C71 WeakPolarHBondContact O-CA 3.48Å; V57-C71 WeakPolarHBondContact O-CB 3.41Å; V57-C71 PolarHBondContact O-N 2.9Å; V59-C71 HydrophobicContact CG2-CB 4.08Å; R69-C71 PolarHBondContact O-N 2.86Å; C71-T84 HydrophobicContact CB-CG2 3.81Å; C71-A85 CarbonylContact C-O 3.56Å; C71-A85 VanDerWaalsContact CA-O 3.28Å; C71-A85 WeakPolarHBondContact CA-O 3.34Å; C71-A85 WeakPolarHBondContact CB-O 3.47Å |
| 72 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140 | 179 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | V53 E55 V74 A85 V87 L93 I96 I124 | V53-V72 HydrophobicContact CB-CG1 4Å; V53-V72 HydrophobicContact CG1-CG1 3.24Å; V53-V72 HydrophobicContact CG2-CG1 3.73Å; E55-V72 WeakPolarHBondContact O-CA 3.38Å; E55-V72 WeakPolarHBondContact O-CG1 3.26Å; V72-V74 HydrophobicContact CB-CG2 4.48Å; V72-V74 HydrophobicContact CG1-CG2 4.12Å; V72-A85 PolarHBondContact N-O 2.93Å; V72-A85 PolarHBondContact O-N 3.13Å; V72-V87 HydrophobicContact CG2-CG2 3.54Å; V72-L93 HydrophobicContact CG2-CD1 3.76Å; V72-I96 HydrophobicContact CG2-CD1 4.41Å; V72-I96 HydrophobicContact CG2-CG2 4.37Å; V72-I124 HydrophobicContact CB-CD1 4.15Å; V72-I124 HydrophobicContact CG2-CD1 4.17Å |
| 73 | R | 98.2 | Very high | 96.6 | Very high | 103 Ų | 103 | 71.7 Ų | 71.7 | 39% | 0.389 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 121 | 173 | -136.1 | 149.7 | 69.5 | 170.5 | -0.9 | 108 | L54 E55 V57 | L54-R73 HydrophobicContact CB-CB 4.43Å; L54-R73 PolarHBondContact N-O 2.92Å; E55-R73 HydrophobicContact CG-CB 3.64Å; E55-R73 PolarHBondContact O-N 3.21Å; E55-R73 WeakPolarHBondContact OE1-CD 3.49Å; E55-R73 IonicContact OE1-CZ 2.86Å; E55-R73 IonicContact OE1-NE 3.6Å; E55-R73 PolarHBondContact OE1-NE 2.7Å; E55-R73 IonicContact OE1-NH1 2.65Å; E55-R73 PolarHBondContact OE1-NH1 2.98Å; E55-R73 IonicContact OE1-NH2 3.25Å; E55-R73 PolarHBondContact OE1-NH2 2.85Å; E55-R73 IonicContact OE2-CZ 3.42Å; E55-R73 VanDerWaalsContact OE2-CZ 3.25Å; E55-R73 IonicContact OE2-NE 3.5Å; E55-R73 IonicContact OE2-NH2 3.75Å; E55-R73 PolarHBondContact OE2-NH2 2.81Å; V57-R73 HydrophobicContact CG2-CB 4.19Å |
| 74 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.5 | -172.8 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | V52 V72 K82 I83 A85 V102 V104 | V52-V74 CarbonylContact O-C 3.6Å; V52-V74 WeakPolarHBondContact O-CA 3.38Å; V72-V74 HydrophobicContact CB-CG2 4.48Å; V72-V74 HydrophobicContact CG1-CG2 4.12Å; V74-K82 CarbonylContact O-C 3.58Å; V74-K82 WeakPolarHBondContact O-CA 3.33Å; V74-I83 HydrophobicContact CB-CG1 4.1Å; V74-I83 PolarHBondContact N-O 2.81Å; V74-I83 WeakPolarHBondContact O-CG1 3.42Å; V74-I83 PolarHBondContact O-N 2.88Å; V74-A85 HydrophobicContact CG2-CB 4.29Å; V74-V102 HydrophobicContact CG1-CG2 3.73Å; V74-V102 HydrophobicContact CG2-CG2 3.92Å; V74-V104 HydrophobicContact CG1-CG2 4.06Å; V74-V104 HydrophobicContact CG2-CG2 4.49Å |
| 75 | Q | 98.1 | Very high | 96.8 | Very high | 73 Ų | 73 | 60.4 Ų | 60.4 | 34% | 0.341 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.3 | 168.7 | -170.4 | 171.7 | 8 | 0 | 0 | 109.9 | G51 V52 L54 L77 G80 | G51-Q75 CarbonylContact C-O 3.55Å; G51-Q75 WeakPolarHBondContact CA-O 3.42Å; V52-Q75 PolarHBondContact N-O 2.96Å; V52-Q75 PolarHBondContact O-N 3.1Å; L54-Q75 HydrophobicContact CD1-CB 4.14Å; L54-Q75 HydrophobicContact CD2-CB 4.19Å; L54-Q75 HydrophobicContact CG-CB 4.18Å; Q75-L77 PolarHBondContact O-N 3.44Å; Q75-G80 PolarHBondContact NE2-O 3.02Å |
| 76 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.2 | 178.1 | -65.3 | -176.9 | 0 | 0 | 0 | 111 | P42 F43 A49 K78 N79 G80 K81 I83 | P42-L76 HydrophobicContact CB-CD1 3.93Å; P42-L76 WeakPolarHBondContact O-CD1 3.45Å; F43-L76 HydrophobicContact CD1-CD1 3.91Å; F43-L76 HydrophobicContact CE1-CD1 4.03Å; F43-L76 HydrophobicContact CE1-CD2 4.13Å; A49-L76 HydrophobicContact CB-CD1 4.49Å; A49-L76 HydrophobicContact CB-CD2 3.74Å; L76-K78 VanDerWaalsContact C-N 3.26Å; L76-K78 PolarHBondContact O-N 2.86Å; L76-N79 VanDerWaalsContact CB-OD1 3.28Å; L76-N79 WeakPolarHBondContact CB-OD1 3.03Å; L76-N79 PolarHBondContact O-N 3.01Å; L76-G80 VanDerWaalsContact O-CA 3.29Å; L76-G80 WeakPolarHBondContact O-CA 3.45Å; L76-G80 PolarHBondContact O-N 3.03Å; L76-K81 PolarHBondContact N-O 3.46Å; L76-I83 HydrophobicContact CD1-CD1 4.32Å; L76-I83 HydrophobicContact CD1-CG2 4.36Å; L76-I83 HydrophobicContact CD2-CD1 3.73Å; L76-I83 HydrophobicContact CD2-CG1 4.33Å; L76-I83 HydrophobicContact CG-CD1 4.1Å; L76-I83 HydrophobicContact CG-CG1 4.34Å |
| 77 | L | 96.7 | Very high | 97 | Very high | 100 Ų | 100 | 53 Ų | 53 | 52% | 0.524 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -35.3 | -179.5 | -71 | 172.9 | 0 | 0 | 0 | 112.6 | K50 V52 Q75 N79 | K50-L77 HydrophobicContact CB-CD1 4.29Å; K50-L77 HydrophobicContact CD-CD1 3.49Å; K50-L77 VanDerWaalsContact CD-CD1 3.49Å; K50-L77 HydrophobicContact CG-CD1 3.78Å; K50-L77 PolarHBondContact O-N 2.87Å; V52-L77 HydrophobicContact CG2-CD2 3.73Å; V52-L77 HydrophobicContact CG2-CG 4.26Å; Q75-L77 PolarHBondContact O-N 3.44Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.06Å |
| 78 | K | 93.9 | Very high | 97 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.7 | -172.8 | 73 | -176.4 | -178.4 | -173.2 | 0 | 116 | P42 F43 L76 | P42-K78 VanDerWaalsContact O-CE 3.31Å; P42-K78 WeakPolarHBondContact O-CE 3.47Å; F43-K78 VanDerWaalsContact CA-NZ 3.28Å; F43-K78 PolarHBondContact O-NZ 3.07Å; L76-K78 VanDerWaalsContact C-N 3.26Å; L76-K78 PolarHBondContact O-N 2.86Å |
| 79 | N | 94.5 | Very high | 97 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -151.9 | 5.8 | -173.7 | 61.5 | 7.8 | 0 | 0 | 0 | 114 | P42 L76 L77 K81 | P42-N79 PolarHBondContact O-ND2 2.86Å; L76-N79 VanDerWaalsContact CB-OD1 3.28Å; L76-N79 WeakPolarHBondContact CB-OD1 3.03Å; L76-N79 PolarHBondContact O-N 3.01Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.06Å; N79-K81 HydrophobicContact CB-CG 4.49Å; N79-K81 PolarHBondContact O-N 3.28Å; N79-K81 WeakPolarHBondContact OD1-CB 3.22Å; N79-K81 PolarHBondContact OD1-N 3.36Å |
| 80 | G | 95.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | trans | 65.2 | 3.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q75 L76 K82 | Q75-G80 PolarHBondContact NE2-O 3.02Å; L76-G80 VanDerWaalsContact O-CA 3.29Å; L76-G80 WeakPolarHBondContact O-CA 3.45Å; L76-G80 PolarHBondContact O-N 3.03Å; G80-K82 PolarHBondContact O-N 2.7Å | ||
| 81 | K | 96.3 | Very high | 96.7 | Very high | 88 Ų | 88 | 50.9 Ų | 50.9 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | trans | -70.4 | 131.5 | -177.7 | -70.3 | -172 | 176.5 | -174.1 | 0 | 110.1 | P42 L76 N79 | P42-K81 HydrophobicContact CB-CD 4.27Å; L76-K81 PolarHBondContact N-O 3.46Å; N79-K81 HydrophobicContact CB-CG 4.49Å; N79-K81 PolarHBondContact O-N 3.28Å; N79-K81 WeakPolarHBondContact OD1-CB 3.22Å; N79-K81 PolarHBondContact OD1-N 3.36Å | ||
| 82 | K | 97.3 | Very high | 96.6 | Very high | 144 Ų | 144 | 51 Ų | 51 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131.5 | 172.8 | -60.5 | -178.9 | -178.6 | -178.4 | 0 | 109.5 | L54 V74 G80 | L54-K82 HydrophobicContact CD1-CD 3.88Å; L54-K82 HydrophobicContact CD1-CG 4.02Å; V74-K82 CarbonylContact O-C 3.58Å; V74-K82 WeakPolarHBondContact O-CA 3.33Å; G80-K82 PolarHBondContact O-N 2.7Å |
| 83 | I | 97.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.7 | 177 | 62.3 | 169.6 | 0 | 0 | 0 | 110 | P42 F43 V74 L76 V104 F122 | P42-I83 HydrophobicContact CB-CG2 3.88Å; P42-I83 HydrophobicContact CG-CG2 4.17Å; F43-I83 HydrophobicContact CE1-CD1 3.94Å; V74-I83 HydrophobicContact CB-CG1 4.1Å; V74-I83 PolarHBondContact N-O 2.81Å; V74-I83 WeakPolarHBondContact O-CG1 3.42Å; V74-I83 PolarHBondContact O-N 2.88Å; L76-I83 HydrophobicContact CD1-CD1 4.32Å; L76-I83 HydrophobicContact CD1-CG2 4.36Å; L76-I83 HydrophobicContact CD2-CD1 3.73Å; L76-I83 HydrophobicContact CD2-CG1 4.33Å; L76-I83 HydrophobicContact CG-CD1 4.1Å; L76-I83 HydrophobicContact CG-CG1 4.34Å; I83-V104 HydrophobicContact CD1-CG1 3.95Å; I83-F122 HydrophobicContact CB-CD2 4.18Å; I83-F122 HydrophobicContact CB-CE2 4.33Å; I83-F122 HydrophobicContact CD1-CD2 3.96Å; I83-F122 HydrophobicContact CD1-CE2 4.42Å; I83-F122 HydrophobicContact CD1-CG 4.17Å; I83-F122 HydrophobicContact CG2-CE2 4.19Å |
| 84 | T | 97.7 | Very high | 96.3 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.6 | 168.8 | -49.2 | 0 | 0 | 0 | 0 | 109.1 | C71 V120 | C71-T84 HydrophobicContact CB-CG2 3.81Å; T84-V120 HydrophobicContact CG2-CG1 4.49Å; T84-V120 HydrophobicContact CG2-CG2 3.86Å |
| 85 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C71 V72 V74 V104 F122 I124 | C71-A85 CarbonylContact C-O 3.56Å; C71-A85 VanDerWaalsContact CA-O 3.28Å; C71-A85 WeakPolarHBondContact CA-O 3.34Å; C71-A85 WeakPolarHBondContact CB-O 3.47Å; V72-A85 PolarHBondContact N-O 2.93Å; V72-A85 PolarHBondContact O-N 3.13Å; V74-A85 HydrophobicContact CG2-CB 4.29Å; A85-V104 HydrophobicContact CB-CG1 3.98Å; A85-F122 WeakPolarHBondContact CA-O 3.4Å; A85-F122 HydrophobicContact CB-CB 4.22Å; A85-I124 HydrophobicContact CB-CG1 3.96Å |
| 86 | F | 98.1 | Very high | 96 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 142.7 | 175.2 | 177.4 | -116 | 0 | 0 | 0 | 111.4 | R69 K70 P88 F107 I117 V120 F122 K123 I124 | R69-F86 HydrophobicContact CB-CD2 4.43Å; R69-F86 HydrophobicContact CB-CE2 4.18Å; K70-F86 VanDerWaalsContact O-CD2 3.32Å; K70-F86 WeakPolarHBondContact O-CD2 3.25Å; F86-P88 HydrophobicContact CD1-CB 4.42Å; F86-P88 HydrophobicContact CE1-CB 4.15Å; F86-P88 WeakPolarHBondContact O-CD 3.29Å; F86-F107 HydrophobicContact CB-CE1 4.4Å; F86-F107 HydrophobicContact CB-CE2 4.29Å; F86-F107 HydrophobicContact CB-CZ 3.54Å; F86-F107 HydrophobicContact CD1-CE1 4.03Å; F86-F107 AromaticContact CD1-CZ 3.87Å; F86-F107 HydrophobicContact CD1-CZ 3.87Å; F86-F107 AromaticContact CG-CZ 4Å; F86-F107 HydrophobicContact CG-CZ 4Å; F86-I117 HydrophobicContact CB-CD1 4.42Å; F86-I117 HydrophobicContact CD1-CD1 4.2Å; F86-I117 HydrophobicContact CD2-CD1 3.58Å; F86-I117 HydrophobicContact CE1-CD1 4.36Å; F86-I117 HydrophobicContact CE2-CD1 3.79Å; F86-I117 HydrophobicContact CG-CD1 3.81Å; F86-I117 HydrophobicContact CZ-CD1 4.18Å; F86-V120 HydrophobicContact CB-CG1 3.97Å; F86-F122 PolarHBondContact N-O 3.23Å; F86-K123 CarbonylContact O-C 3.43Å; F86-K123 VanDerWaalsContact O-CA 3.27Å; F86-K123 WeakPolarHBondContact O-CA 3.25Å; F86-I124 PolarHBondContact O-N 3.26Å |
| 87 | V | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | trans | -97.5 | 111.5 | 171.5 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | K70 V72 C92 L93 I96 I124 L132 | K70-V87 PolarHBondContact O-N 2.73Å; K70-V87 VanDerWaalsContact O-N 3.09Å; V72-V87 HydrophobicContact CG2-CG2 3.54Å; V87-C92 HydrophobicContact CG1-CB 3.57Å; V87-L93 HydrophobicContact CG2-CD1 4Å; V87-I96 HydrophobicContact CB-CD1 4.35Å; V87-I96 HydrophobicContact CG1-CD1 3.77Å; V87-I96 HydrophobicContact CG2-CD1 3.58Å; V87-I124 HydrophobicContact CG2-CD1 4.02Å; V87-L132 HydrophobicContact CG1-CD2 4.29Å | ||
| 88 | P | 96.5 | Very high | 95.8 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | trans | -76.7 | 157.9 | -179 | 31.4 | -34.3 | 0 | 0 | 0 | 112.4 | F86 C92 L132 | F86-P88 HydrophobicContact CD1-CB 4.42Å; F86-P88 HydrophobicContact CE1-CB 4.15Å; F86-P88 WeakPolarHBondContact O-CD 3.29Å; P88-C92 VanDerWaalsContact O-CB 3.24Å; P88-C92 WeakPolarHBondContact O-CB 3.47Å; P88-C92 PolarHBondContact O-SG 2.94Å; P88-C92 VanDerWaalsContact O-SG 3.41Å; P88-L132 HydrophobicContact CG-CD2 3.59Å | ||
| 89 | N | 95.7 | Very high | 95.8 | Very high | 86 Ų | 86 | 59.7 Ų | 59.7 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 64 | 162.5 | -177.1 | -47.5 | -35.1 | 0 | 0 | 0 | 114 | Y136 | N89-Y136 HydrophobicContact CB-CD1 4.28Å; N89-Y136 HydrophobicContact CB-CD2 3.99Å; N89-Y136 HydrophobicContact CB-CE1 4.25Å; N89-Y136 HydrophobicContact CB-CE2 3.97Å; N89-Y136 HydrophobicContact CB-CG 4.16Å |
| 90 | D | 94.5 | Very high | 95.9 | Very high | 139 Ų | 139 | 58.8 Ų | 58.8 | 74% | 0.743 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 151.1 | 179.5 | -161.9 | 3.7 | 0 | 0 | 0 | 111.6 | C92 Y136 | D90-C92 PolarHBondContact O-N 2.65Å; D90-Y136 WeakPolarHBondContact O-CE2 3.28Å |
| 91 | G | 93.7 | Very high | 95.9 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -10.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L93 N94 | G91-L93 PolarHBondContact O-N 2.69Å; G91-N94 VanDerWaalsContact O-CB 3.27Å; G91-N94 WeakPolarHBondContact O-CB 3.29Å; G91-N94 PolarHBondContact O-N 2.83Å |
| 92 | C | 96 | Very high | 96 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -67.2 | -15.6 | -171.3 | -74.9 | 0 | 0 | 0 | 0 | 114.5 | V87 P88 D90 N94 F95 L132 | V87-C92 HydrophobicContact CG1-CB 3.57Å; P88-C92 VanDerWaalsContact O-CB 3.24Å; P88-C92 WeakPolarHBondContact O-CB 3.47Å; P88-C92 PolarHBondContact O-SG 2.94Å; P88-C92 VanDerWaalsContact O-SG 3.41Å; D90-C92 PolarHBondContact O-N 2.65Å; C92-N94 PolarHBondContact O-N 3.35Å; C92-F95 HydrophobicContact CB-CD2 4.38Å; C92-F95 PolarHBondContact O-N 3.45Å; C92-L132 HydrophobicContact CB-CD1 4.43Å; C92-L132 HydrophobicContact CB-CD2 3.84Å; C92-L132 HydrophobicContact CB-CG 4.21Å |
| 93 | L | 95.4 | Very high | 96 | Very high | 31 Ų | 31 | 52.7 Ų | 52.7 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -64.6 | -23.8 | 172.1 | -171.2 | 68.1 | 0 | 0 | 0 | 112 | K56 K70 V72 V87 G91 F95 I96 | K56-L93 HydrophobicContact CB-CD1 4.39Å; K56-L93 HydrophobicContact CD-CD1 4.1Å; K56-L93 HydrophobicContact CD-CD2 4.28Å; K56-L93 HydrophobicContact CD-CG 4.06Å; K56-L93 HydrophobicContact CG-CD1 4.03Å; K56-L93 PolarHBondContact NZ-O 2.83Å; K70-L93 HydrophobicContact CB-CB 4.42Å; K70-L93 HydrophobicContact CB-CD2 4.08Å; K70-L93 HydrophobicContact CD-CD2 3.98Å; K70-L93 HydrophobicContact CG-CD2 4.16Å; V72-L93 HydrophobicContact CG2-CD1 3.76Å; V87-L93 HydrophobicContact CG2-CD1 4Å; G91-L93 PolarHBondContact O-N 2.69Å; L93-F95 VanDerWaalsContact C-N 3.28Å; L93-F95 PolarHBondContact O-N 3.26Å; L93-I96 PolarHBondContact O-N 3.06Å |
| 94 | N | 94.8 | Very high | 96 | Very high | 127 Ų | 127 | 52 Ų | 52 | 68% | 0.679 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -72.2 | -23.5 | 179.7 | -59.7 | -13.9 | 0 | 0 | 0 | 112.1 | G91 C92 I96 | G91-N94 VanDerWaalsContact O-CB 3.27Å; G91-N94 WeakPolarHBondContact O-CB 3.29Å; G91-N94 PolarHBondContact O-N 2.83Å; C92-N94 PolarHBondContact O-N 3.35Å; N94-I96 VanDerWaalsContact C-N 3.3Å |
| 95 | F | 94.1 | Very high | 96 | Very high | 56 Ų | 56 | 50.1 Ų | 50.1 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -81.3 | -9.2 | 177.2 | -61.3 | -57.9 | 0 | 0 | 0 | 114.1 | C92 L93 L135 | C92-F95 HydrophobicContact CB-CD2 4.38Å; C92-F95 PolarHBondContact O-N 3.45Å; L93-F95 VanDerWaalsContact C-N 3.28Å; L93-F95 PolarHBondContact O-N 3.26Å; F95-L135 HydrophobicContact CB-CD1 4.09Å; F95-L135 HydrophobicContact CD1-CB 4.35Å; F95-L135 HydrophobicContact CD2-CB 4.02Å; F95-L135 HydrophobicContact CE1-CB 4.39Å; F95-L135 HydrophobicContact CE2-CB 4.1Å; F95-L135 HydrophobicContact CG-CB 4.17Å; F95-L135 HydrophobicContact CG-CD1 4.26Å; F95-L135 HydrophobicContact CZ-CB 4.28Å |
| 96 | I | 95.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -108.5 | 126.5 | -175.4 | -63.2 | 158.5 | 0 | 0 | 0 | 108.1 | V53 K56 V72 V87 L93 N94 I124 V127 L132 | V53-I96 HydrophobicContact CG1-CG2 4.29Å; V53-I96 HydrophobicContact CG2-CG2 3.78Å; K56-I96 WeakPolarHBondContact CE-O 3.2Å; K56-I96 PolarHBondContact NZ-O 3.38Å; V72-I96 HydrophobicContact CG2-CD1 4.41Å; V72-I96 HydrophobicContact CG2-CG2 4.37Å; V87-I96 HydrophobicContact CB-CD1 4.35Å; V87-I96 HydrophobicContact CG1-CD1 3.77Å; V87-I96 HydrophobicContact CG2-CD1 3.58Å; L93-I96 PolarHBondContact O-N 3.06Å; N94-I96 VanDerWaalsContact C-N 3.3Å; I96-I124 HydrophobicContact CD1-CD1 3.73Å; I96-V127 HydrophobicContact CD1-CG2 4.18Å; I96-V127 HydrophobicContact CG1-CB 4.49Å; I96-V127 HydrophobicContact CG1-CG1 4.13Å; I96-V127 HydrophobicContact CG1-CG2 3.57Å; I96-L132 HydrophobicContact CD1-CD1 4.15Å; I96-L132 HydrophobicContact CG1-CD1 4.42Å | ||
| 97 | E | 94.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 52 Ų | 52 | 45% | 0.453 | 28% | 0.281 | S | S | . | . | trans | -108.4 | 169.3 | 171.4 | -75.7 | 170.8 | -169.3 | 0 | 0 | 111.8 | V53 D100 R142 | V53-E97 WeakPolarHBondContact CB-O 3.43Å; V53-E97 WeakPolarHBondContact CG1-O 3.45Å; E97-D100 PolarHBondContact N-OD2 3.08Å; E97-D100 WeakPolarHBondContact O-CB 3.31Å; E97-D100 PolarHBondContact O-N 3.19Å; E97-R142 VanDerWaalsContact CD-NH2 3.31Å; E97-R142 IonicContact OE1-CZ 3.79Å; E97-R142 IonicContact OE1-NH1 2.78Å; E97-R142 PolarHBondContact OE1-NH1 3.48Å; E97-R142 IonicContact OE1-NH2 3.89Å; E97-R142 IonicContact OE2-CZ 3.4Å; E97-R142 IonicContact OE2-NH1 3.1Å; E97-R142 PolarHBondContact OE2-NH1 2.96Å; E97-R142 VanDerWaalsContact OE2-NH1 3.1Å; E97-R142 IonicContact OE2-NH2 2.78Å; E97-R142 PolarHBondContact OE2-NH2 2.94Å | ||
| 98 | E | 94.8 | Very high | 95.6 | Very high | 116 Ų | 116 | 55.3 Ų | 55.3 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 145.7 | 170 | -67.7 | 179.4 | -178.1 | 0 | 0 | 109.7 | D100 | E98-D100 PolarHBondContact O-N 3.4Å; E98-D100 VanDerWaalsContact O-N 3.15Å |
| 99 | N | 95 | Very high | 95.4 | Very high | 122 Ų | 122 | 61.1 Ų | 61.1 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 2.1 | -174.8 | -49.8 | -58.2 | 0 | 0 | 0 | 116.1 | V53 | V53-N99 WeakPolarHBondContact O-CA 3.42Å; V53-N99 PolarHBondContact O-N 3.25Å |
| 100 | D | 95.5 | Very high | 95.1 | Very high | 23 Ų | 23 | 65.6 Ų | 65.6 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | trans | -63.2 | 141.9 | 172.7 | -92.9 | -18.4 | 0 | 0 | 0 | 111.6 | V52 V53 E97 E98 V127 R142 | V52-D100 WeakPolarHBondContact CA-O 3.47Å; V53-D100 HydrophobicContact CG2-CB 4.41Å; V53-D100 PolarHBondContact N-O 3.01Å; E97-D100 PolarHBondContact N-OD2 3.08Å; E97-D100 WeakPolarHBondContact O-CB 3.31Å; E97-D100 PolarHBondContact O-N 3.19Å; E98-D100 PolarHBondContact O-N 3.4Å; E98-D100 VanDerWaalsContact O-N 3.15Å; D100-V127 HydrophobicContact CB-CG1 4.27Å; D100-R142 IonicContact OD1-NH2 2.98Å; D100-R142 PolarHBondContact OD1-NH2 3.19Å; D100-R142 IonicContact OD2-CZ 3.65Å; D100-R142 IonicContact OD2-NE 3.88Å; D100-R142 IonicContact OD2-NH2 3.01Å; D100-R142 PolarHBondContact OD2-NH2 3.36Å | ||
| 101 | E | 96.4 | Very high | 94.9 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.4 | 166.4 | -68.1 | -161.2 | 153.7 | 0 | 0 | 111.3 | K50 A128 | K50-E101 WeakPolarHBondContact CE-OE2 3.41Å; K50-E101 IonicContact NZ-OE1 2.69Å; K50-E101 IonicContact NZ-OE2 3.47Å; K50-E101 PolarHBondContact NZ-OE2 2.83Å; E101-A128 PolarHBondContact O-N 3.4Å |
| 102 | V | 97.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 146.9 | -180 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | K50 G51 V53 V74 V104 I124 K126 V127 | K50-V102 WeakPolarHBondContact CA-O 3.28Å; G51-V102 PolarHBondContact N-O 2.96Å; G51-V102 WeakPolarHBondContact O-CG2 3.32Å; G51-V102 PolarHBondContact O-N 3.5Å; V53-V102 HydrophobicContact CG2-CB 4.49Å; V53-V102 HydrophobicContact CG2-CG1 3.61Å; V53-V102 HydrophobicContact CG2-CG2 4.02Å; V74-V102 HydrophobicContact CG1-CG2 3.73Å; V74-V102 HydrophobicContact CG2-CG2 3.92Å; V102-V104 HydrophobicContact CG2-CG2 4.02Å; V102-I124 HydrophobicContact CB-CG2 4.38Å; V102-I124 HydrophobicContact CG1-CD1 4.36Å; V102-I124 HydrophobicContact CG1-CG2 4.46Å; V102-K126 CarbonylContact C-O 3.6Å; V102-K126 WeakPolarHBondContact CA-O 3.22Å; V102-V127 HydrophobicContact CG1-CB 4.47Å; V102-V127 HydrophobicContact CG1-CG1 4.27Å; V102-V127 HydrophobicContact CG1-CG2 4.13Å |
| 103 | L | 98 | Very high | 94.9 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121.8 | 167.9 | -171.7 | 70.1 | 0 | 0 | 0 | 109.4 | H48 V125 K126 | H48-L103 HydrophobicContact CB-CD1 4.08Å; H48-L103 HydrophobicContact CB-CG 4.48Å; L103-V125 PolarHBondContact O-N 3.23Å; L103-K126 HydrophobicContact CB-CB 3.76Å; L103-K126 HydrophobicContact CB-CG 4.19Å; L103-K126 HydrophobicContact CD2-CB 4.48Å; L103-K126 HydrophobicContact CD2-CD 3.95Å; L103-K126 HydrophobicContact CD2-CG 3.99Å; L103-K126 PolarHBondContact N-O 3.21Å; L103-K126 PolarHBondContact O-N 2.83Å |
| 104 | V | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.1 | -177.1 | -169.6 | 0 | 0 | 0 | 0 | 110.3 | F43 H48 A49 V74 I83 A85 V102 F122 K123 | F43-V104 HydrophobicContact CZ-CB 4.01Å; F43-V104 HydrophobicContact CZ-CG1 3.86Å; H48-V104 CarbonylContact C-O 3.41Å; H48-V104 VanDerWaalsContact CA-O 3.26Å; H48-V104 WeakPolarHBondContact CA-O 3.43Å; A49-V104 PolarHBondContact N-O 3.45Å; A49-V104 PolarHBondContact O-N 3.01Å; V74-V104 HydrophobicContact CG1-CG2 4.06Å; V74-V104 HydrophobicContact CG2-CG2 4.49Å; I83-V104 HydrophobicContact CD1-CG1 3.95Å; A85-V104 HydrophobicContact CB-CG1 3.98Å; V102-V104 HydrophobicContact CG2-CG2 4.02Å; V104-F122 HydrophobicContact CG1-CB 3.6Å; V104-F122 HydrophobicContact CG1-CG 4.26Å; V104-K123 WeakPolarHBondContact CA-O 3.31Å; V104-K123 WeakPolarHBondContact CG1-O 3.41Å |
| 105 | S | 97.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 162.2 | 171.9 | 81 | 0 | 0 | 0 | 0 | 111.6 | H48 F122 K123 V125 | H48-S105 WeakPolarHBondContact CD2-CB 3.28Å; S105-F122 CarbonylContact O-C 3.6Å; S105-F122 WeakPolarHBondContact O-CA 3.47Å; S105-F122 WeakPolarHBondContact O-CB 3.43Å; S105-K123 PolarHBondContact N-O 3.15Å; S105-K123 PolarHBondContact O-N 3.44Å; S105-K123 VanDerWaalsContact OG-CE 3.31Å; S105-K123 WeakPolarHBondContact OG-CE 3.4Å; S105-K123 WeakPolarHBondContact OG-CG 3.44Å; S105-V125 WeakPolarHBondContact OG-CG2 3.29Å |
| 106 | G | 96.2 | Very high | 95 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 164 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G108 | G106-G108 VanDerWaalsContact C-N 3.35Å |
| 107 | F | 95.2 | Very high | 95 | Very high | 50 Ų | 50 | 61.7 Ų | 61.7 | 22% | 0.219 | 35% | 0.345 | C | S | . | . | trans | -79.2 | -9.6 | 174 | -82.3 | -65.9 | 0 | 0 | 0 | 115.4 | F86 V114 I117 V120 R121 F122 K123 | F86-F107 HydrophobicContact CB-CE1 4.4Å; F86-F107 HydrophobicContact CB-CE2 4.29Å; F86-F107 HydrophobicContact CB-CZ 3.54Å; F86-F107 HydrophobicContact CD1-CE1 4.03Å; F86-F107 AromaticContact CD1-CZ 3.87Å; F86-F107 HydrophobicContact CD1-CZ 3.87Å; F86-F107 AromaticContact CG-CZ 4Å; F86-F107 HydrophobicContact CG-CZ 4Å; F107-V114 HydrophobicContact CB-CB 4.05Å; F107-V114 HydrophobicContact CB-CG2 3.36Å; F107-V114 HydrophobicContact CD1-CB 4.43Å; F107-V114 HydrophobicContact CD2-CB 4.27Å; F107-V114 HydrophobicContact CD2-CG2 4.28Å; F107-V114 HydrophobicContact CG-CB 4.06Å; F107-V114 HydrophobicContact CG-CG2 3.92Å; F107-I117 HydrophobicContact CZ-CD1 4.46Å; F107-V120 HydrophobicContact CE2-CG1 4.1Å; F107-V120 WeakPolarHBondContact CE2-O 3.49Å; F107-R121 WeakPolarHBondContact CD2-O 3.43Å; F107-R121 PolarHBondContact N-O 3.47Å; F107-F122 WeakPolarHBondContact CE2-O 2.98Å; F107-K123 HydrophobicContact CD1-CB 4.22Å; F107-K123 HydrophobicContact CD1-CD 4.03Å; F107-K123 HydrophobicContact CD1-CG 4.36Å; F107-K123 HydrophobicContact CE1-CB 3.81Å; F107-K123 HydrophobicContact CE1-CD 4.18Å; F107-K123 HydrophobicContact CE1-CG 4.4Å; F107-K123 HydrophobicContact CZ-CB 4.14Å | ||
| 108 | G | 92.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 59.4 Ų | 59.4 | 75% | 0.753 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 95.9 | -11.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G106 K110 | G106-G108 VanDerWaalsContact C-N 3.35Å; G108-K110 PolarHBondContact O-N 2.8Å |
| 109 | R | 93.2 | Very high | 95.1 | Very high | 150 Ų | 150 | 57.1 Ų | 57.1 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -83.2 | 47.1 | 177.5 | -157.8 | 176.7 | -177.6 | -170.6 | 8.7 | 113.2 | G111 H112 A113 V114 | R109-G111 PolarHBondContact O-N 3.3Å; R109-H112 HydrophobicContact CB-CB 4.41Å; R109-H112 HydrophobicContact CG-CB 4.24Å; R109-H112 WeakPolarHBondContact O-CB 3.4Å; R109-H112 PolarHBondContact O-CD2 2.87Å; R109-H112 PolarHBondContact O-N 2.82Å; R109-A113 WeakPolarHBondContact CD-O 3.47Å; R109-A113 PolarHBondContact NH1-O 3.27Å; R109-V114 HydrophobicContact CB-CG2 3.53Å; R109-V114 HydrophobicContact CG-CG2 4.37Å |
| 110 | K | 89.3 | Confident | 95.1 | Very high | 181 Ų | 181 | 51.4 Ų | 51.4 | 79% | 0.787 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 33.4 | 178.3 | -62.8 | -179.4 | -179.5 | 175.7 | 0 | 115.3 | G108 | G108-K110 PolarHBondContact O-N 2.8Š|
| 111 | G | 89.7 | Confident | 95.2 | Very high | 33 Ų | 33 | 55 Ų | 55 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 22.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R109 R121 | R109-G111 PolarHBondContact O-N 3.3Å; G111-R121 PolarHBondContact O-NE 2.94Å; G111-R121 PolarHBondContact O-NH2 3.32Å |
| 112 | H | 93.9 | Very high | 95.3 | Very high | 112 Ų | 112 | 51.5 Ų | 51.5 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -104.2 | 158.7 | 168.9 | -62.4 | -77.3 | 0 | 0 | 0 | 110.8 | R109 | R109-H112 HydrophobicContact CB-CB 4.41Å; R109-H112 HydrophobicContact CG-CB 4.24Å; R109-H112 WeakPolarHBondContact O-CB 3.4Å; R109-H112 PolarHBondContact O-CD2 2.87Å; R109-H112 PolarHBondContact O-N 2.82Å |
| 113 | A | 95.6 | Very high | 95.2 | Very high | 23 Ų | 23 | 55 Ų | 55 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | trans | -65.8 | 151.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R109 V120 R121 | R109-A113 WeakPolarHBondContact CD-O 3.47Å; R109-A113 PolarHBondContact NH1-O 3.27Å; A113-V120 VanDerWaalsContact CA-O 3.29Å; A113-V120 WeakPolarHBondContact CA-O 2.99Å; A113-V120 VanDerWaalsContact CB-O 3.25Å; A113-V120 WeakPolarHBondContact CB-O 3.32Å; A113-R121 HydrophobicContact CB-CG 4.47Å | ||
| 114 | V | 95.3 | Very high | 95.2 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 30% | 0.303 | 31% | 0.314 | S | S | . | . | trans | -119.4 | 143.2 | -173.7 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | F107 R109 | F107-V114 HydrophobicContact CB-CB 4.05Å; F107-V114 HydrophobicContact CB-CG2 3.36Å; F107-V114 HydrophobicContact CD1-CB 4.43Å; F107-V114 HydrophobicContact CD2-CB 4.27Å; F107-V114 HydrophobicContact CD2-CG2 4.28Å; F107-V114 HydrophobicContact CG-CB 4.06Å; F107-V114 HydrophobicContact CG-CG2 3.92Å; R109-V114 HydrophobicContact CB-CG2 3.53Å; R109-V114 HydrophobicContact CG-CG2 4.37Å | ||
| 115 | G | 95.1 | Very high | 95.2 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 57% | 0.567 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | -140.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 116 | D | 96.5 | Very high | 95.2 | Very high | 23 Ų | 23 | 58.7 Ų | 58.7 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.6 | -177.5 | 64.1 | -10 | 0 | 0 | 0 | 113.7 | A61 K62 N65 R69 P118 | A61-D116 CarbonylContact C-O 3.52Å; A61-D116 WeakPolarHBondContact CA-O 3.37Å; A61-D116 HydrophobicContact CB-CB 4.31Å; K62-D116 HydrophobicContact CB-CB 4.44Å; K62-D116 WeakPolarHBondContact CG-O 3.31Å; K62-D116 PolarHBondContact N-O 3.29Å; N65-D116 PolarHBondContact ND2-OD2 3.41Å; R69-D116 IonicContact CZ-OD1 2.69Å; R69-D116 IonicContact CZ-OD2 3.23Å; R69-D116 IonicContact NE-OD1 3.06Å; R69-D116 PolarHBondContact NE-OD1 3.07Å; R69-D116 IonicContact NE-OD2 3.7Å; R69-D116 PolarHBondContact NE-OD2 3.38Å; R69-D116 IonicContact NH2-OD1 3.01Å; R69-D116 PolarHBondContact NH2-OD1 2.96Å; R69-D116 IonicContact NH2-OD2 2.7Å; R69-D116 PolarHBondContact NH2-OD2 3.37Å; D116-P118 WeakPolarHBondContact O-CD 3.38Å |
| 117 | I | 95.2 | Very high | 95.2 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.046 | 33% | 0.328 | C | S | . | . | trans | -91.2 | 104.4 | -177.3 | -36.3 | -172.6 | 0 | 0 | 0 | 109.7 | V59 R69 F86 F107 V120 | V59-I117 HydrophobicContact CG1-CG2 4.26Å; R69-I117 HydrophobicContact CB-CD1 4.35Å; R69-I117 HydrophobicContact CB-CG1 4.49Å; R69-I117 HydrophobicContact CB-CG2 4.16Å; R69-I117 HydrophobicContact CG-CD1 4.21Å; R69-I117 HydrophobicContact CG-CG1 3.98Å; R69-I117 HydrophobicContact CG-CG2 4.34Å; F86-I117 HydrophobicContact CB-CD1 4.42Å; F86-I117 HydrophobicContact CD1-CD1 4.2Å; F86-I117 HydrophobicContact CD2-CD1 3.58Å; F86-I117 HydrophobicContact CE1-CD1 4.36Å; F86-I117 HydrophobicContact CE2-CD1 3.79Å; F86-I117 HydrophobicContact CG-CD1 3.81Å; F86-I117 HydrophobicContact CZ-CD1 4.18Å; F107-I117 HydrophobicContact CZ-CD1 4.46Å; I117-V120 HydrophobicContact CB-CB 4.42Å; I117-V120 HydrophobicContact CG2-CB 3.68Å; I117-V120 HydrophobicContact CG2-CG2 3.57Å | ||
| 118 | P | 96 | Very high | 95.1 | Very high | 48 Ų | 48 | 56.5 Ų | 56.5 | 31% | 0.312 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -70.3 | 140.4 | -179.1 | 30.3 | -34.2 | 0 | 0 | 0 | 111.2 | V59 E60 K62 D116 V120 | V59-P118 HydrophobicContact CG1-CG 3.85Å; E60-P118 WeakPolarHBondContact O-CD 3.41Å; E60-P118 WeakPolarHBondContact O-CG 3.23Å; K62-P118 HydrophobicContact CG-CB 4.26Å; K62-P118 HydrophobicContact CG-CG 4.44Å; D116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-V120 PolarHBondContact O-N 3.34Å |
| 119 | G | 94.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 71.6 | -21.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | R121 | G119-R121 PolarHBondContact O-N 2.95Š|
| 120 | V | 96.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | trans | -85.2 | 114.7 | -176.8 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | V59 T84 F86 F107 A113 I117 P118 F122 | V59-V120 HydrophobicContact CG2-CG2 4.19Å; T84-V120 HydrophobicContact CG2-CG1 4.49Å; T84-V120 HydrophobicContact CG2-CG2 3.86Å; F86-V120 HydrophobicContact CB-CG1 3.97Å; F107-V120 HydrophobicContact CE2-CG1 4.1Å; F107-V120 WeakPolarHBondContact CE2-O 3.49Å; A113-V120 VanDerWaalsContact CA-O 3.29Å; A113-V120 WeakPolarHBondContact CA-O 2.99Å; A113-V120 VanDerWaalsContact CB-O 3.25Å; A113-V120 WeakPolarHBondContact CB-O 3.32Å; I117-V120 HydrophobicContact CB-CB 4.42Å; I117-V120 HydrophobicContact CG2-CB 3.68Å; I117-V120 HydrophobicContact CG2-CG2 3.57Å; P118-V120 PolarHBondContact O-N 3.34Å; V120-F122 WeakPolarHBondContact CG1-O 3.49Å | ||
| 121 | R | 96.6 | Very high | 95.6 | Very high | 98 Ų | 98 | 43.5 Ų | 43.5 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | trans | -108.1 | -7.8 | -174.2 | -61.6 | 163.3 | 67.6 | -173.6 | 5.6 | 113.2 | F107 G111 A113 G119 | F107-R121 WeakPolarHBondContact CD2-O 3.43Å; F107-R121 PolarHBondContact N-O 3.47Å; G111-R121 PolarHBondContact O-NE 2.94Å; G111-R121 PolarHBondContact O-NH2 3.32Å; A113-R121 HydrophobicContact CB-CG 4.47Å; G119-R121 PolarHBondContact O-N 2.95Å | ||
| 122 | F | 97.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 42 Ų | 42 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 158.4 | -169.6 | -55 | -72.8 | 0 | 0 | 0 | 111.2 | P42 F43 I83 A85 F86 V104 S105 F107 V120 | P42-F122 HydrophobicContact CG-CE1 4.36Å; P42-F122 HydrophobicContact CG-CE2 3.85Å; P42-F122 HydrophobicContact CG-CZ 3.39Å; F43-F122 HydrophobicContact CD1-CE1 4.15Å; F43-F122 HydrophobicContact CD2-CE1 4.3Å; F43-F122 AromaticContact CE1-CD1 3.96Å; F43-F122 HydrophobicContact CE1-CD1 3.96Å; F43-F122 AromaticContact CE1-CE1 3.84Å; F43-F122 HydrophobicContact CE1-CE1 3.84Å; F43-F122 HydrophobicContact CE1-CZ 4.43Å; F43-F122 AromaticContact CE2-CD1 3.95Å; F43-F122 HydrophobicContact CE2-CD1 3.95Å; F43-F122 HydrophobicContact CE2-CE1 4.01Å; F43-F122 HydrophobicContact CG-CE1 4.37Å; F43-F122 AromaticContact CZ-CD1 3.54Å; F43-F122 HydrophobicContact CZ-CD1 3.54Å; F43-F122 AromaticContact CZ-CE1 3.77Å; F43-F122 HydrophobicContact CZ-CE1 3.77Å; F43-F122 HydrophobicContact CZ-CG 4.37Å; I83-F122 HydrophobicContact CB-CD2 4.18Å; I83-F122 HydrophobicContact CB-CE2 4.33Å; I83-F122 HydrophobicContact CD1-CD2 3.96Å; I83-F122 HydrophobicContact CD1-CE2 4.42Å; I83-F122 HydrophobicContact CD1-CG 4.17Å; I83-F122 HydrophobicContact CG2-CE2 4.19Å; A85-F122 WeakPolarHBondContact CA-O 3.4Å; A85-F122 HydrophobicContact CB-CB 4.22Å; F86-F122 PolarHBondContact N-O 3.23Å; V104-F122 HydrophobicContact CG1-CB 3.6Å; V104-F122 HydrophobicContact CG1-CG 4.26Å; S105-F122 CarbonylContact O-C 3.6Å; S105-F122 WeakPolarHBondContact O-CA 3.47Å; S105-F122 WeakPolarHBondContact O-CB 3.43Å; F107-F122 WeakPolarHBondContact CE2-O 2.98Å; V120-F122 WeakPolarHBondContact CG1-O 3.49Å |
| 123 | K | 97.4 | Very high | 96 | Very high | 76 Ų | 76 | 43.8 Ų | 43.8 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 155.4 | 174.7 | 66.6 | 178.3 | -176.9 | 177.9 | 0 | 111.2 | F86 V104 S105 F107 | F86-K123 CarbonylContact O-C 3.43Å; F86-K123 VanDerWaalsContact O-CA 3.27Å; F86-K123 WeakPolarHBondContact O-CA 3.25Å; V104-K123 WeakPolarHBondContact CA-O 3.31Å; V104-K123 WeakPolarHBondContact CG1-O 3.41Å; S105-K123 PolarHBondContact N-O 3.15Å; S105-K123 PolarHBondContact O-N 3.44Å; S105-K123 VanDerWaalsContact OG-CE 3.31Å; S105-K123 WeakPolarHBondContact OG-CE 3.4Å; S105-K123 WeakPolarHBondContact OG-CG 3.44Å; F107-K123 HydrophobicContact CD1-CB 4.22Å; F107-K123 HydrophobicContact CD1-CD 4.03Å; F107-K123 HydrophobicContact CD1-CG 4.36Å; F107-K123 HydrophobicContact CE1-CB 3.81Å; F107-K123 HydrophobicContact CE1-CD 4.18Å; F107-K123 HydrophobicContact CE1-CG 4.4Å; F107-K123 HydrophobicContact CZ-CB 4.14Å |
| 124 | I | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 139.6 | 173.5 | -58.7 | -170.3 | 0 | 0 | 0 | 109.9 | V72 A85 F86 V87 I96 V102 V127 L132 | V72-I124 HydrophobicContact CB-CD1 4.15Å; V72-I124 HydrophobicContact CG2-CD1 4.17Å; A85-I124 HydrophobicContact CB-CG1 3.96Å; F86-I124 PolarHBondContact O-N 3.26Å; V87-I124 HydrophobicContact CG2-CD1 4.02Å; I96-I124 HydrophobicContact CD1-CD1 3.73Å; V102-I124 HydrophobicContact CB-CG2 4.38Å; V102-I124 HydrophobicContact CG1-CD1 4.36Å; V102-I124 HydrophobicContact CG1-CG2 4.46Å; I124-V127 HydrophobicContact CG2-CG2 3.87Å; I124-L132 HydrophobicContact CG2-CD1 4.3Å |
| 125 | V | 97.6 | Very high | 96 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 26% | 0.255 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | -42 | 179.7 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | L103 S105 L132 | L103-V125 PolarHBondContact O-N 3.23Å; S105-V125 WeakPolarHBondContact OG-CG2 3.29Å; V125-L132 PolarHBondContact O-N 3.47Å |
| 126 | K | 97.1 | Very high | 96 | Very high | 90 Ų | 90 | 43.7 Ų | 43.7 | 39% | 0.391 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.9 | 178.8 | -55.9 | -170.8 | 176.7 | -177.3 | 0 | 110.5 | V102 L103 V130 | V102-K126 CarbonylContact C-O 3.6Å; V102-K126 WeakPolarHBondContact CA-O 3.22Å; L103-K126 HydrophobicContact CB-CB 3.76Å; L103-K126 HydrophobicContact CB-CG 4.19Å; L103-K126 HydrophobicContact CD2-CB 4.48Å; L103-K126 HydrophobicContact CD2-CD 3.95Å; L103-K126 HydrophobicContact CD2-CG 3.99Å; L103-K126 PolarHBondContact N-O 3.21Å; L103-K126 PolarHBondContact O-N 2.83Å; K126-V130 CarbonylContact C-O 3.49Å; K126-V130 WeakPolarHBondContact CA-O 3.43Å; K126-V130 WeakPolarHBondContact CB-O 3.38Å |
| 127 | V | 96.2 | Very high | 96 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 133.6 | 175.8 | -175.1 | 0 | 0 | 0 | 0 | 106.7 | I96 D100 V102 I124 G129 V130 L132 | I96-V127 HydrophobicContact CD1-CG2 4.18Å; I96-V127 HydrophobicContact CG1-CB 4.49Å; I96-V127 HydrophobicContact CG1-CG1 4.13Å; I96-V127 HydrophobicContact CG1-CG2 3.57Å; D100-V127 HydrophobicContact CB-CG1 4.27Å; V102-V127 HydrophobicContact CG1-CB 4.47Å; V102-V127 HydrophobicContact CG1-CG1 4.27Å; V102-V127 HydrophobicContact CG1-CG2 4.13Å; I124-V127 HydrophobicContact CG2-CG2 3.87Å; V127-G129 PolarHBondContact O-N 3.14Å; V127-G129 VanDerWaalsContact O-N 3.09Å; V127-V130 PolarHBondContact N-O 2.66Å; V127-V130 PolarHBondContact O-N 3.04Å; V127-V130 VanDerWaalsContact O-O 3.13Å; V127-L132 HydrophobicContact CG2-CD1 3.51Å |
| 128 | A | 92.7 | Very high | 95.9 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 41.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E101 V130 P143 | E101-A128 PolarHBondContact O-N 3.4Å; A128-V130 PolarHBondContact O-N 3.18Å; A128-V130 VanDerWaalsContact O-N 3.11Å; A128-P143 HydrophobicContact CB-CG 4.18Å; A128-P143 WeakPolarHBondContact O-CG 3.47Å |
| 129 | G | 93 | Very high | 95.9 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 68% | 0.68 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -11.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | V127 | V127-G129 PolarHBondContact O-N 3.14Å; V127-G129 VanDerWaalsContact O-N 3.09Å |
| 130 | V | 95.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 145.1 | -178.9 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | K126 V127 A128 L132 A134 L135 K140 P143 | K126-V130 CarbonylContact C-O 3.49Å; K126-V130 WeakPolarHBondContact CA-O 3.43Å; K126-V130 WeakPolarHBondContact CB-O 3.38Å; V127-V130 PolarHBondContact N-O 2.66Å; V127-V130 PolarHBondContact O-N 3.04Å; V127-V130 VanDerWaalsContact O-O 3.13Å; A128-V130 PolarHBondContact O-N 3.18Å; A128-V130 VanDerWaalsContact O-N 3.11Å; V130-L132 PolarHBondContact O-N 3.33Å; V130-A134 HydrophobicContact CG1-CB 4.47Å; V130-L135 HydrophobicContact CB-CD2 4.45Å; V130-L135 HydrophobicContact CB-CG 4.46Å; V130-L135 HydrophobicContact CG1-CD1 4.46Å; V130-L135 HydrophobicContact CG1-CD2 3.86Å; V130-L135 HydrophobicContact CG1-CG 3.87Å; V130-K140 HydrophobicContact CG1-CB 3.82Å; V130-K140 HydrophobicContact CG1-CD 3.98Å; V130-P143 HydrophobicContact CG2-CG 4Å |
| 131 | S | 96.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 69.6 Ų | 69.6 | 32% | 0.315 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 131.7 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | K133 A134 L135 | S131-K133 PolarHBondContact O-N 3.05Å; S131-K133 PolarHBondContact OG-N 3.14Å; S131-A134 WeakPolarHBondContact O-CA 3.44Å; S131-A134 WeakPolarHBondContact O-CB 3.17Å; S131-A134 PolarHBondContact O-N 3.43Å; S131-L135 PolarHBondContact O-N 2.97Å; S131-L135 VanDerWaalsContact O-N 3.08Å |
| 132 | L | 95.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59 | -35 | 175.9 | -160.3 | 97.6 | 0 | 0 | 0 | 111.7 | V87 P88 C92 I96 I124 V125 V127 V130 A134 L135 Y136 | V87-L132 HydrophobicContact CG1-CD2 4.29Å; P88-L132 HydrophobicContact CG-CD2 3.59Å; C92-L132 HydrophobicContact CB-CD1 4.43Å; C92-L132 HydrophobicContact CB-CD2 3.84Å; C92-L132 HydrophobicContact CB-CG 4.21Å; I96-L132 HydrophobicContact CD1-CD1 4.15Å; I96-L132 HydrophobicContact CG1-CD1 4.42Å; I124-L132 HydrophobicContact CG2-CD1 4.3Å; V125-L132 PolarHBondContact O-N 3.47Å; V127-L132 HydrophobicContact CG2-CD1 3.51Å; V130-L132 PolarHBondContact O-N 3.33Å; L132-A134 VanDerWaalsContact C-N 3.32Å; L132-A134 PolarHBondContact O-N 3.48Å; L132-L135 PolarHBondContact O-N 3.15Å; L132-Y136 WeakPolarHBondContact O-CB 3.48Å; L132-Y136 PolarHBondContact O-N 3.22Å |
| 133 | K | 96.3 | Very high | 94.6 | Very high | 149 Ų | 149 | 70.8 Ų | 70.8 | 65% | 0.648 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.6 | -34.2 | 175.4 | -172.5 | 173.5 | -177.4 | 177.5 | 0 | 112.1 | S131 T137 | S131-K133 PolarHBondContact O-N 3.05Å; S131-K133 PolarHBondContact OG-N 3.14Å; K133-T137 WeakPolarHBondContact O-CB 3.49Å; K133-T137 WeakPolarHBondContact O-CG2 3.49Å; K133-T137 PolarHBondContact O-N 3.22Å; K133-T137 PolarHBondContact O-OG1 3.26Å |
| 134 | A | 96.5 | Very high | 93.6 | Very high | 18 Ų | 18 | 78.5 Ų | 78.5 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -71.6 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V130 S131 L132 H138 K139 K140 | V130-A134 HydrophobicContact CG1-CB 4.47Å; S131-A134 WeakPolarHBondContact O-CA 3.44Å; S131-A134 WeakPolarHBondContact O-CB 3.17Å; S131-A134 PolarHBondContact O-N 3.43Å; L132-A134 VanDerWaalsContact C-N 3.32Å; L132-A134 PolarHBondContact O-N 3.48Å; A134-H138 PolarHBondContact O-N 2.9Å; A134-K139 HydrophobicContact CB-CB 4.49Å; A134-K139 PolarHBondContact O-N 2.99Å; A134-K140 HydrophobicContact CB-CB 4.13Å; A134-K140 HydrophobicContact CB-CD 4.46Å; A134-K140 HydrophobicContact CB-CG 4.22Å; A134-K140 PolarHBondContact O-N 3.41Å |
| 135 | L | 95.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 86.7 Ų | 86.7 | 2% | 0.021 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 172.1 | -64.1 | 172.2 | 0 | 0 | 0 | 111 | F95 V130 S131 L132 T137 H138 R142 | F95-L135 HydrophobicContact CB-CD1 4.09Å; F95-L135 HydrophobicContact CD1-CB 4.35Å; F95-L135 HydrophobicContact CD2-CB 4.02Å; F95-L135 HydrophobicContact CE1-CB 4.39Å; F95-L135 HydrophobicContact CE2-CB 4.1Å; F95-L135 HydrophobicContact CG-CB 4.17Å; F95-L135 HydrophobicContact CG-CD1 4.26Å; F95-L135 HydrophobicContact CZ-CB 4.28Å; V130-L135 HydrophobicContact CB-CD2 4.45Å; V130-L135 HydrophobicContact CB-CG 4.46Å; V130-L135 HydrophobicContact CG1-CD1 4.46Å; V130-L135 HydrophobicContact CG1-CD2 3.86Å; V130-L135 HydrophobicContact CG1-CG 3.87Å; S131-L135 PolarHBondContact O-N 2.97Å; S131-L135 VanDerWaalsContact O-N 3.08Å; L132-L135 PolarHBondContact O-N 3.15Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.95Å; L135-H138 PolarHBondContact O-N 3.24Å; L135-H138 VanDerWaalsContact O-N 3.1Å; L135-R142 HydrophobicContact CD2-CB 4.27Å |
| 136 | Y | 95.5 | Very high | 91.8 | Very high | 103 Ų | 103 | 89 Ų | 89 | 40% | 0.404 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 178.5 | 178.2 | -110 | 0 | 0 | 0 | 113.8 | N89 D90 L132 H138 | N89-Y136 HydrophobicContact CB-CD1 4.28Å; N89-Y136 HydrophobicContact CB-CD2 3.99Å; N89-Y136 HydrophobicContact CB-CE1 4.25Å; N89-Y136 HydrophobicContact CB-CE2 3.97Å; N89-Y136 HydrophobicContact CB-CG 4.16Å; D90-Y136 WeakPolarHBondContact O-CE2 3.28Å; L132-Y136 WeakPolarHBondContact O-CB 3.48Å; L132-Y136 PolarHBondContact O-N 3.22Å; Y136-H138 VanDerWaalsContact C-N 3.32Å |
| 137 | T | 96.5 | Very high | 91.6 | Very high | 61 Ų | 61 | 88.9 Ų | 88.9 | 37% | 0.374 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 9.6 | 178.7 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | K133 L135 K139 | K133-T137 WeakPolarHBondContact O-CB 3.49Å; K133-T137 WeakPolarHBondContact O-CG2 3.49Å; K133-T137 PolarHBondContact O-N 3.22Å; K133-T137 PolarHBondContact O-OG1 3.26Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.95Å; T137-K139 PolarHBondContact O-N 3.41Å |
| 138 | H | 93.6 | Very high | 91.3 | Very high | 160 Ų | 160 | 93.7 Ų | 93.7 | 74% | 0.741 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 24.7 | -178.2 | -54.9 | -78.6 | 0 | 0 | 0 | 114.5 | A134 L135 Y136 K140 | A134-H138 PolarHBondContact O-N 2.9Å; L135-H138 PolarHBondContact O-N 3.24Å; L135-H138 VanDerWaalsContact O-N 3.1Å; Y136-H138 VanDerWaalsContact C-N 3.32Å; H138-K140 VanDerWaalsContact C-N 3.34Å |
| 139 | K | 95.1 | Very high | 91.2 | Very high | 170 Ų | 170 | 97.3 Ų | 97.3 | 74% | 0.739 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -80 | -21.2 | 176.2 | -70.6 | -172 | 176.4 | -167.4 | 0 | 112.8 | A134 T137 | A134-K139 HydrophobicContact CB-CB 4.49Å; A134-K139 PolarHBondContact O-N 2.99Å; T137-K139 PolarHBondContact O-N 3.41Å |
| 140 | K | 94 | Very high | 91.1 | Very high | 134 Ų | 134 | 99.3 Ų | 99.3 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -141.7 | 149.1 | 175 | -71.4 | -165.6 | 171.1 | -163.2 | 0 | 108.6 | V130 A134 H138 | V130-K140 HydrophobicContact CG1-CB 3.82Å; V130-K140 HydrophobicContact CG1-CD 3.98Å; A134-K140 HydrophobicContact CB-CB 4.13Å; A134-K140 HydrophobicContact CB-CD 4.46Å; A134-K140 HydrophobicContact CB-CG 4.22Å; A134-K140 PolarHBondContact O-N 3.41Å; H138-K140 VanDerWaalsContact C-N 3.34Å |
| 141 | E | 91.1 | Very high | 90.8 | Very high | 170 Ų | 170 | 104.6 Ų | 104.6 | 79% | 0.794 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -94.3 | 160.8 | 170.3 | -62.3 | -174.3 | 168.5 | 0 | 0 | 110.5 | ||
| 142 | R | 88.2 | Confident | 90.4 | Very high | 74 Ų | 74 | 108.9 Ų | 108.9 | 28% | 0.279 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 128.7 | 173.5 | -174.1 | 175.4 | 175.9 | -146.5 | -1.4 | 108 | E97 D100 L135 R144 | E97-R142 VanDerWaalsContact CD-NH2 3.31Å; E97-R142 IonicContact OE1-CZ 3.79Å; E97-R142 IonicContact OE1-NH1 2.78Å; E97-R142 PolarHBondContact OE1-NH1 3.48Å; E97-R142 IonicContact OE1-NH2 3.89Å; E97-R142 IonicContact OE2-CZ 3.4Å; E97-R142 IonicContact OE2-NH1 3.1Å; E97-R142 PolarHBondContact OE2-NH1 2.96Å; E97-R142 VanDerWaalsContact OE2-NH1 3.1Å; E97-R142 IonicContact OE2-NH2 2.78Å; E97-R142 PolarHBondContact OE2-NH2 2.94Å; D100-R142 IonicContact OD1-NH2 2.98Å; D100-R142 PolarHBondContact OD1-NH2 3.19Å; D100-R142 IonicContact OD2-CZ 3.65Å; D100-R142 IonicContact OD2-NE 3.88Å; D100-R142 IonicContact OD2-NH2 3.01Å; D100-R142 PolarHBondContact OD2-NH2 3.36Å; L135-R142 HydrophobicContact CD2-CB 4.27Å; R142-R144 PolarHBondContact O-N 3.22Å |
| 143 | P | 85.7 | Confident | 90 | Very high | 66 Ų | 66 | 117 Ų | 117 | 43% | 0.429 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 132.8 | 174.8 | 21.6 | -24.3 | 0 | 0 | 0 | 108.5 | A128 V130 A145 | A128-P143 HydrophobicContact CB-CG 4.18Å; A128-P143 WeakPolarHBondContact O-CG 3.47Å; V130-P143 HydrophobicContact CG2-CG 4Å; P143-A145 PolarHBondContact O-N 2.99Å |
| 144 | R | 76.3 | Confident | 89.5 | Confident | 238 Ų | 238 | 114.3 Ų | 114.3 | 90% | 0.898 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 127.8 | 173.1 | -61.7 | -177.8 | -167.1 | 179.1 | 3.1 | 107.6 | R142 | R142-R144 PolarHBondContact O-N 3.22Š|
| 145 | A | 65.9 | Low | 88.8 | Confident | 174 Ų | 174 | 123.1 Ų | 123.1 | 100% | 1.438 | 61% | 0.609 | S | S | * | * | trans | -75.7 | 0 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P143 | P143-A145 PolarHBondContact O-N 2.99Š|
Retrieved 145 of 145 residues in 111.1 ms
(Link to these results)