| 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 | 59.6 | Low | 86.8 | Confident | 170 Ų | 170 | 114.3 Ų | 114.3 | 84% | 0.837 | 56% | 0.557 | S | S | * | * | 0 | 113.7 | 0 | -91 | -158 | -81.2 | 0 | 0 | 106.2 | R6 K9 | M1-R6 HydrophobicContact CB-CG 4.48Å; M1-K9 PolarHBondContact SD-NZ 2.84Å | |||
| 2 | D | 81.3 | Confident | 87.5 | Confident | 130 Ų | 130 | 111.5 Ų | 111.5 | 70% | 0.695 | 55% | 0.547 | S | S | * | . | trans | -62.1 | 145.8 | -179.9 | -50.5 | -53.4 | 0 | 0 | 0 | 110.1 | N4 S5 R6 | D2-N4 PolarHBondContact O-N 3.22Å; D2-S5 WeakPolarHBondContact O-CB 3.45Å; D2-S5 PolarHBondContact O-N 2.86Å; D2-R6 PolarHBondContact O-N 3.24Å | ||
| 3 | E | 85.7 | Confident | 87.9 | Confident | 157 Ų | 157 | 108.5 Ų | 108.5 | 73% | 0.734 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.4 | -39.5 | -175.2 | -66.2 | -174.9 | 155.3 | 0 | 0 | 112 | S5 R6 I7 | E3-S5 PolarHBondContact O-N 3.05Å; E3-R6 WeakPolarHBondContact O-CB 3.36Å; E3-R6 PolarHBondContact O-N 2.92Å; E3-R6 VanDerWaalsContact O-N 3.13Å; E3-I7 PolarHBondContact O-N 2.85Å |
| 4 | N | 88.1 | Confident | 88.3 | Confident | 118 Ų | 118 | 109.4 Ų | 109.4 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 175.7 | -65.7 | -15.2 | 0 | 0 | 0 | 112.2 | D2 R6 I7 D8 | D2-N4 PolarHBondContact O-N 3.22Å; N4-R6 PolarHBondContact O-N 3.26Å; N4-I7 WeakPolarHBondContact O-CB 3.29Å; N4-I7 PolarHBondContact O-N 2.81Å; N4-D8 VanDerWaalsContact O-CG 3.28Å; N4-D8 PolarHBondContact O-N 3.23Å |
| 5 | S | 90.4 | Very high | 88.8 | Confident | 44 Ų | 44 | 109.2 Ų | 109.2 | 31% | 0.308 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -28.2 | 178.3 | -180 | 0 | 0 | 0 | 0 | 112.7 | D2 E3 K9 | D2-S5 WeakPolarHBondContact O-CB 3.45Å; D2-S5 PolarHBondContact O-N 2.86Å; E3-S5 PolarHBondContact O-N 3.05Å; S5-K9 WeakPolarHBondContact O-CG 3.31Å; S5-K9 PolarHBondContact O-N 3.47Å |
| 6 | R | 88.4 | Confident | 89.2 | Confident | 127 Ų | 127 | 109.4 Ų | 109.4 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.8 | -43.9 | 173.2 | -64.1 | 177.4 | 64.3 | -166.7 | -1.8 | 110.8 | M1 D2 E3 N4 D8 K9 Y10 | M1-R6 HydrophobicContact CB-CG 4.48Å; D2-R6 PolarHBondContact O-N 3.24Å; E3-R6 WeakPolarHBondContact O-CB 3.36Å; E3-R6 PolarHBondContact O-N 2.92Å; E3-R6 VanDerWaalsContact O-N 3.13Å; N4-R6 PolarHBondContact O-N 3.26Å; R6-D8 VanDerWaalsContact C-N 3.33Å; R6-K9 PolarHBondContact O-N 2.98Å; R6-Y10 HydrophobicContact CB-CE2 4.41Å; R6-Y10 WeakPolarHBondContact O-CD2 3.46Å; R6-Y10 PolarHBondContact O-N 3.38Å |
| 7 | I | 92 | Very high | 89.5 | Confident | 96 Ų | 96 | 107.2 Ų | 107.2 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 178.5 | -65 | 168.2 | 0 | 0 | 0 | 110.2 | E3 N4 K9 Y10 V11 | E3-I7 PolarHBondContact O-N 2.85Å; N4-I7 WeakPolarHBondContact O-CB 3.29Å; N4-I7 PolarHBondContact O-N 2.81Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 2.78Å; I7-Y10 PolarHBondContact O-N 3.14Å; I7-V11 HydrophobicContact CG2-CG2 4.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.46Å; I7-V11 PolarHBondContact O-N 3.14Å |
| 8 | D | 93.7 | Very high | 89.8 | Confident | 91 Ų | 91 | 105.3 Ų | 105.3 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -55.7 | -44.4 | 178.2 | -63.6 | -26.3 | 0 | 0 | 0 | 111.6 | N4 R6 Y10 V11 D12 | N4-D8 VanDerWaalsContact O-CG 3.28Å; N4-D8 PolarHBondContact O-N 3.23Å; R6-D8 VanDerWaalsContact C-N 3.33Å; D8-Y10 VanDerWaalsContact C-N 3.32Å; D8-Y10 PolarHBondContact O-N 3.36Å; D8-V11 PolarHBondContact O-N 3.23Å; D8-D12 VanDerWaalsContact O-CG 3.29Å; D8-D12 PolarHBondContact O-N 2.88Å |
| 9 | K | 91.2 | Very high | 90.1 | Very high | 113 Ų | 113 | 105.4 Ų | 105.4 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 176.3 | -68.7 | 174.3 | -175.4 | -175 | 0 | 113.5 | M1 S5 R6 I7 L13 | M1-K9 PolarHBondContact SD-NZ 2.84Å; S5-K9 WeakPolarHBondContact O-CG 3.31Å; S5-K9 PolarHBondContact O-N 3.47Å; R6-K9 PolarHBondContact O-N 2.98Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 2.78Å; K9-L13 WeakPolarHBondContact O-CB 3.26Å; K9-L13 PolarHBondContact O-N 3.08Å |
| 10 | Y | 90.8 | Very high | 90.3 | Very high | 144 Ų | 144 | 103.1 Ų | 103.1 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.3 | -38.4 | 176.2 | -71.6 | -67.7 | 0 | 0 | 0 | 111.7 | R6 I7 D8 D12 L13 H14 | R6-Y10 HydrophobicContact CB-CE2 4.41Å; R6-Y10 WeakPolarHBondContact O-CD2 3.46Å; R6-Y10 PolarHBondContact O-N 3.38Å; I7-Y10 PolarHBondContact O-N 3.14Å; D8-Y10 VanDerWaalsContact C-N 3.32Å; D8-Y10 PolarHBondContact O-N 3.36Å; Y10-D12 VanDerWaalsContact C-N 3.34Å; Y10-L13 PolarHBondContact O-N 2.94Å; Y10-H14 WeakPolarHBondContact O-CB 3.29Å; Y10-H14 PolarHBondContact O-N 2.89Å |
| 11 | V | 94.2 | Very high | 90.5 | Very high | 67 Ų | 67 | 104 Ų | 104 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | I7 D8 H14 K15 | I7-V11 HydrophobicContact CG2-CG2 4.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.46Å; I7-V11 PolarHBondContact O-N 3.14Å; D8-V11 PolarHBondContact O-N 3.23Å; V11-H14 PolarHBondContact O-N 3.31Å; V11-K15 WeakPolarHBondContact O-CG 3.27Å; V11-K15 PolarHBondContact O-N 2.86Å; V11-K15 VanDerWaalsContact O-N 3.07Å |
| 12 | D | 94.5 | Very high | 92.2 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 176.3 | -68.7 | -20.3 | 0 | 0 | 0 | 111.5 | D8 Y10 H14 K15 M16 | D8-D12 VanDerWaalsContact O-CG 3.29Å; D8-D12 PolarHBondContact O-N 2.88Å; Y10-D12 VanDerWaalsContact C-N 3.34Å; D12-H14 VanDerWaalsContact C-N 3.3Å; D12-H14 PolarHBondContact O-N 3.45Å; D12-K15 PolarHBondContact O-N 3.23Å; D12-K15 IonicContact OD1-NZ 2.87Å; D12-M16 WeakPolarHBondContact O-CG 3.32Å; D12-M16 PolarHBondContact O-N 3.33Å |
| 13 | L | 92.8 | Very high | 92.8 | Very high | 73 Ų | 73 | 99.6 Ų | 99.6 | 38% | 0.382 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 174 | 178.1 | 66.5 | 0 | 0 | 0 | 111.7 | K9 Y10 M16 V17 L65 | K9-L13 WeakPolarHBondContact O-CB 3.26Å; K9-L13 PolarHBondContact O-N 3.08Å; Y10-L13 PolarHBondContact O-N 2.94Å; L13-M16 PolarHBondContact O-N 2.97Å; L13-V17 HydrophobicContact CD1-CG2 4.41Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 2.67Å; L13-L65 HydrophobicContact CD2-CD2 3.74Å |
| 14 | H | 93.9 | Very high | 93.1 | Very high | 120 Ų | 120 | 95.4 Ų | 95.4 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.4 | -48.2 | 178.2 | -173.4 | -71.9 | 0 | 0 | 0 | 111.6 | Y10 V11 D12 M16 V17 D18 | Y10-H14 WeakPolarHBondContact O-CB 3.29Å; Y10-H14 PolarHBondContact O-N 2.89Å; V11-H14 PolarHBondContact O-N 3.31Å; D12-H14 VanDerWaalsContact C-N 3.3Å; D12-H14 PolarHBondContact O-N 3.45Å; H14-M16 VanDerWaalsContact C-N 3.3Å; H14-M16 PolarHBondContact O-N 3.27Å; H14-V17 PolarHBondContact O-N 3.35Å; H14-V17 VanDerWaalsContact O-N 3.12Å; H14-D18 IonicContact CE1-OD1 2.77Å; H14-D18 PolarHBondContact CE1-OD1 2.93Å; H14-D18 IonicContact CE1-OD2 3.48Å; H14-D18 PolarHBondContact CE1-OD2 3.28Å; H14-D18 IonicContact ND1-OD1 3.78Å; H14-D18 IonicContact ND1-OD2 3.78Å; H14-D18 PolarHBondContact ND1-OD2 3.16Å; H14-D18 PolarHBondContact O-N 3.06Å |
| 15 | K | 96.2 | Very high | 93.3 | Very high | 107 Ų | 107 | 95.8 Ų | 95.8 | 47% | 0.465 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56.9 | -44.4 | 176.5 | -68.6 | 171.1 | -174.2 | 165 | 0 | 111.8 | V11 D12 V17 D18 E19 | V11-K15 WeakPolarHBondContact O-CG 3.27Å; V11-K15 PolarHBondContact O-N 2.86Å; V11-K15 VanDerWaalsContact O-N 3.07Å; D12-K15 PolarHBondContact O-N 3.23Å; D12-K15 IonicContact OD1-NZ 2.87Å; K15-V17 VanDerWaalsContact C-N 3.3Å; K15-V17 PolarHBondContact O-N 3.37Å; K15-D18 PolarHBondContact O-N 2.87Å; K15-E19 WeakPolarHBondContact O-CG 3.04Å; K15-E19 PolarHBondContact O-N 3.43Å |
| 16 | M | 94.5 | Very high | 93.4 | Very high | 113 Ų | 113 | 100.8 Ų | 100.8 | 56% | 0.557 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.5 | -35.2 | 178.9 | -64.4 | -72 | 159 | 0 | 0 | 112.2 | D12 L13 H14 L20 | D12-M16 WeakPolarHBondContact O-CG 3.32Å; D12-M16 PolarHBondContact O-N 3.33Å; L13-M16 PolarHBondContact O-N 2.97Å; H14-M16 VanDerWaalsContact C-N 3.3Å; H14-M16 PolarHBondContact O-N 3.27Å; M16-L20 WeakPolarHBondContact O-CB 3.22Å; M16-L20 PolarHBondContact O-N 3.11Å |
| 17 | V | 94.1 | Very high | 93.4 | Very high | 72 Ų | 72 | 98.8 Ų | 98.8 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.3 | -39 | 175 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L13 H14 K15 L20 Q21 | L13-V17 HydrophobicContact CD1-CG2 4.41Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 2.67Å; H14-V17 PolarHBondContact O-N 3.35Å; H14-V17 VanDerWaalsContact O-N 3.12Å; K15-V17 VanDerWaalsContact C-N 3.3Å; K15-V17 PolarHBondContact O-N 3.37Å; V17-L20 PolarHBondContact O-N 2.85Å; V17-Q21 WeakPolarHBondContact O-CB 3.35Å; V17-Q21 PolarHBondContact O-N 3.34Å |
| 18 | D | 95.8 | Very high | 93.2 | Very high | 73 Ų | 73 | 98.7 Ų | 98.7 | 39% | 0.39 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 175 | -66.3 | -34.7 | 0 | 0 | 0 | 111.4 | H14 K15 L20 Q21 E22 | H14-D18 IonicContact CE1-OD1 2.77Å; H14-D18 PolarHBondContact CE1-OD1 2.93Å; H14-D18 IonicContact CE1-OD2 3.48Å; H14-D18 PolarHBondContact CE1-OD2 3.28Å; H14-D18 IonicContact ND1-OD1 3.78Å; H14-D18 IonicContact ND1-OD2 3.78Å; H14-D18 PolarHBondContact ND1-OD2 3.16Å; H14-D18 PolarHBondContact O-N 3.06Å; K15-D18 PolarHBondContact O-N 2.87Å; D18-L20 PolarHBondContact O-N 3.4Å; D18-Q21 WeakPolarHBondContact O-CB 3.41Å; D18-Q21 PolarHBondContact O-N 3.05Å; D18-E22 PolarHBondContact O-N 2.96Å |
| 19 | E | 95.6 | Very high | 93.1 | Very high | 107 Ų | 107 | 101.5 Ų | 101.5 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 174.9 | -71.7 | 174.1 | -163.4 | 0 | 0 | 111.7 | K15 Q21 E22 L23 | K15-E19 WeakPolarHBondContact O-CG 3.04Å; K15-E19 PolarHBondContact O-N 3.43Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.44Å; E19-E22 PolarHBondContact O-N 3.3Å; E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 3.26Å |
| 20 | L | 94.2 | Very high | 92.9 | Very high | 59 Ų | 59 | 101.6 Ų | 101.6 | 31% | 0.309 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.5 | 177 | 73.1 | 0 | 0 | 0 | 111.5 | M16 V17 D18 E22 L23 V24 L58 | M16-L20 WeakPolarHBondContact O-CB 3.22Å; M16-L20 PolarHBondContact O-N 3.11Å; V17-L20 PolarHBondContact O-N 2.85Å; D18-L20 PolarHBondContact O-N 3.4Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.08Å; L20-L23 PolarHBondContact O-N 3.42Å; L20-V24 HydrophobicContact CD1-CG2 4.33Å; L20-V24 HydrophobicContact CG-CG2 4.39Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.92Å; L20-L58 HydrophobicContact CD1-CD2 4.4Å; L20-L58 HydrophobicContact CD2-CD1 4.38Å; L20-L58 HydrophobicContact CD2-CD2 3.33Å; L20-L58 HydrophobicContact CD2-CG 4.49Å; L20-L58 HydrophobicContact CG-CD2 4.47Å |
| 21 | Q | 94 | Very high | 92.7 | Very high | 123 Ų | 123 | 98.3 Ų | 98.3 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 178.5 | -178.4 | 177.7 | -51.7 | 0 | 0 | 111 | V17 D18 E19 V24 Q25 | V17-Q21 WeakPolarHBondContact O-CB 3.35Å; V17-Q21 PolarHBondContact O-N 3.34Å; D18-Q21 WeakPolarHBondContact O-CB 3.41Å; D18-Q21 PolarHBondContact O-N 3.05Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.44Å; Q21-V24 PolarHBondContact O-N 2.9Å; Q21-Q25 WeakPolarHBondContact O-CB 3.47Å; Q21-Q25 PolarHBondContact O-N 3.42Å |
| 22 | E | 95.5 | Very high | 92.2 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176 | -170.7 | 179.4 | -178.1 | 0 | 0 | 111.6 | D18 E19 L20 Q25 R26 | D18-E22 PolarHBondContact O-N 2.96Å; E19-E22 PolarHBondContact O-N 3.3Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.08Å; E22-Q25 PolarHBondContact O-N 3.44Å; E22-R26 VanDerWaalsContact O-CG 3.31Å; E22-R26 WeakPolarHBondContact O-CG 3.5Å; E22-R26 PolarHBondContact O-N 2.91Å; E22-R26 IonicContact OE1-CZ 2.92Å; E22-R26 IonicContact OE1-NE 3.86Å; E22-R26 PolarHBondContact OE1-NE 3.06Å; E22-R26 IonicContact OE1-NH2 2.66Å; E22-R26 PolarHBondContact OE1-NH2 3.24Å |
| 23 | L | 93.6 | Very high | 91.8 | Very high | 109 Ų | 109 | 100 Ų | 100 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.4 | -44.4 | 176.6 | -70.9 | 173.6 | 0 | 0 | 0 | 112.5 | E19 L20 Q25 R26 Y27 | E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 3.26Å; L20-L23 PolarHBondContact O-N 3.42Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-R26 PolarHBondContact O-N 2.93Å; L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 2.8Å |
| 24 | V | 91.7 | Very high | 91.5 | Very high | 69 Ų | 69 | 100.2 Ų | 100.2 | 42% | 0.418 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L20 Q21 Y27 T28 | L20-V24 HydrophobicContact CD1-CG2 4.33Å; L20-V24 HydrophobicContact CG-CG2 4.39Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.92Å; Q21-V24 PolarHBondContact O-N 2.9Å; V24-Y27 PolarHBondContact O-N 3.17Å; V24-T28 WeakPolarHBondContact O-CB 3.33Å; V24-T28 PolarHBondContact O-N 3.49Å; V24-T28 PolarHBondContact O-OG1 3.12Å |
| 25 | Q | 92.5 | Very high | 91 | Very high | 126 Ų | 126 | 96.4 Ų | 96.4 | 59% | 0.589 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.4 | -50.3 | 176.4 | -174.4 | 166.4 | 8.7 | 0 | 0 | 110.8 | Q21 E22 L23 Y27 T28 E29 | Q21-Q25 WeakPolarHBondContact O-CB 3.47Å; Q21-Q25 PolarHBondContact O-N 3.42Å; E22-Q25 PolarHBondContact O-N 3.44Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; Q25-Y27 VanDerWaalsContact C-N 3.27Å; Q25-Y27 PolarHBondContact O-N 2.94Å; Q25-T28 CarbonylContact O-C 3.59Å; Q25-T28 PolarHBondContact O-N 3.36Å; Q25-E29 PolarHBondContact O-N 2.96Å |
| 26 | R | 92.1 | Very high | 90.5 | Very high | 149 Ų | 149 | 95.9 Ų | 95.9 | 56% | 0.562 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56 | -41.5 | 174.8 | -69.9 | 174.6 | -175.4 | -164.1 | 3.8 | 112.1 | E22 L23 T28 | E22-R26 VanDerWaalsContact O-CG 3.31Å; E22-R26 WeakPolarHBondContact O-CG 3.5Å; E22-R26 PolarHBondContact O-N 2.91Å; E22-R26 IonicContact OE1-CZ 2.92Å; E22-R26 IonicContact OE1-NE 3.86Å; E22-R26 PolarHBondContact OE1-NE 3.06Å; E22-R26 IonicContact OE1-NH2 2.66Å; E22-R26 PolarHBondContact OE1-NH2 3.24Å; L23-R26 PolarHBondContact O-N 2.93Å; R26-T28 VanDerWaalsContact C-N 3.27Å; R26-T28 PolarHBondContact O-N 2.96Å |
| 27 | Y | 88.8 | Confident | 90.1 | Very high | 85 Ų | 85 | 95.9 Ų | 95.9 | 33% | 0.333 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -26.7 | 177 | -174.3 | -100.7 | 0 | 0 | 0 | 113.2 | L23 V24 Q25 R35 T47 L51 | L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 2.8Å; V24-Y27 PolarHBondContact O-N 3.17Å; Q25-Y27 VanDerWaalsContact C-N 3.27Å; Q25-Y27 PolarHBondContact O-N 2.94Å; Y27-R35 PolarHBondContact O-NH1 3.42Å; Y27-R35 PolarHBondContact O-NH2 3.15Å; Y27-T47 WeakPolarHBondContact OH-CG2 3.42Å; Y27-L51 HydrophobicContact CE1-CD1 4.49Å |
| 28 | T | 88.6 | Confident | 89.8 | Confident | 93 Ų | 93 | 98.8 Ų | 98.8 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -95.6 | -7.9 | -175.5 | -50.8 | 0 | 0 | 0 | 0 | 113.3 | V24 Q25 R26 K30 | V24-T28 WeakPolarHBondContact O-CB 3.33Å; V24-T28 PolarHBondContact O-N 3.49Å; V24-T28 PolarHBondContact O-OG1 3.12Å; Q25-T28 CarbonylContact O-C 3.59Å; Q25-T28 PolarHBondContact O-N 3.36Å; R26-T28 VanDerWaalsContact C-N 3.27Å; R26-T28 PolarHBondContact O-N 2.96Å; T28-K30 VanDerWaalsContact C-N 3.26Å; T28-K30 PolarHBondContact O-N 3.04Å |
| 29 | E | 90.2 | Very high | 89.3 | Confident | 150 Ų | 150 | 98.6 Ų | 98.6 | 70% | 0.701 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -52.9 | -40.8 | 178.7 | -76.4 | 173.5 | -165.5 | 0 | 0 | 113.5 | Q25 | Q25-E29 PolarHBondContact O-N 2.96Š|
| 30 | K | 87.1 | Confident | 89 | Confident | 115 Ų | 115 | 96.8 Ų | 96.8 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -95.9 | 146.8 | 172.6 | -67.7 | -175.8 | 176.9 | -171.9 | 0 | 110.4 | T28 R35 | T28-K30 VanDerWaalsContact C-N 3.26Å; T28-K30 PolarHBondContact O-N 3.04Å; K30-R35 HydrophobicContact CB-CG 4.46Å; K30-R35 PolarHBondContact O-NH1 3.08Å |
| 31 | P | 87 | Confident | 88.9 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | trans | -57.4 | 143 | 167.9 | -24.1 | 34.6 | 0 | 0 | 0 | 111.8 | V33 D34 | P31-V33 VanDerWaalsContact C-N 3.26Å; P31-V33 PolarHBondContact O-N 3.19Å; P31-D34 WeakPolarHBondContact CD-OD2 3.21Å; P31-D34 WeakPolarHBondContact CG-OD2 3.04Å; P31-D34 PolarHBondContact O-N 3.41Å | ||
| 32 | F | 84 | Confident | 88.7 | Confident | 84 Ų | 84 | 97.7 Ų | 97.7 | 37% | 0.368 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -35.8 | 179.1 | -179.3 | -101.8 | 0 | 0 | 0 | 112.5 | D34 R35 M36 L51 | F32-D34 PolarHBondContact O-N 3.43Å; F32-R35 PolarHBondContact O-N 2.88Å; F32-M36 HydrophobicContact CE1-SD 4.14Å; F32-M36 PolarHBondContact O-N 3.34Å; F32-M36 VanDerWaalsContact O-N 3.09Å; F32-L51 HydrophobicContact CE2-CD2 4.32Å |
| 33 | V | 85.6 | Confident | 88.5 | Confident | 101 Ų | 101 | 98 Ų | 98 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | -179.4 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | P31 R35 M36 T37 | P31-V33 VanDerWaalsContact C-N 3.26Å; P31-V33 PolarHBondContact O-N 3.19Å; V33-R35 PolarHBondContact O-N 2.93Å; V33-M36 PolarHBondContact O-N 3.44Å; V33-T37 PolarHBondContact O-N 3.15Å |
| 34 | D | 86.6 | Confident | 88.5 | Confident | 77 Ų | 77 | 93.6 Ų | 93.6 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | -178.4 | -61.6 | -14.4 | 0 | 0 | 0 | 110.4 | P31 F32 M36 T37 E38 | P31-D34 WeakPolarHBondContact CD-OD2 3.21Å; P31-D34 WeakPolarHBondContact CG-OD2 3.04Å; P31-D34 PolarHBondContact O-N 3.41Å; F32-D34 PolarHBondContact O-N 3.43Å; D34-M36 VanDerWaalsContact C-N 3.31Å; D34-M36 PolarHBondContact O-N 3.35Å; D34-T37 PolarHBondContact O-N 2.86Å; D34-T37 VanDerWaalsContact O-N 3.15Å; D34-T37 PolarHBondContact O-OG1 3.29Å; D34-E38 PolarHBondContact O-N 3.3Å |
| 35 | R | 83.7 | Confident | 88.5 | Confident | 39 Ų | 39 | 92.5 Ų | 92.5 | 15% | 0.147 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 175.3 | -69.6 | -164.9 | -65.6 | -83.1 | 10.7 | 113 | Y27 K30 F32 V33 T37 E38 Q39 | Y27-R35 PolarHBondContact O-NH1 3.42Å; Y27-R35 PolarHBondContact O-NH2 3.15Å; K30-R35 HydrophobicContact CB-CG 4.46Å; K30-R35 PolarHBondContact O-NH1 3.08Å; F32-R35 PolarHBondContact O-N 2.88Å; V33-R35 PolarHBondContact O-N 2.93Å; R35-T37 PolarHBondContact O-N 3.35Å; R35-E38 PolarHBondContact O-N 3.2Å; R35-E38 VanDerWaalsContact O-N 3.16Å; R35-Q39 PolarHBondContact O-N 3.41Å |
| 36 | M | 84.9 | Confident | 88.6 | Confident | 96 Ų | 96 | 91 Ų | 91 | 47% | 0.473 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -27.9 | -179.1 | -164.7 | 171.2 | -175.4 | 0 | 0 | 111.9 | F32 V33 D34 N44 | F32-M36 HydrophobicContact CE1-SD 4.14Å; F32-M36 PolarHBondContact O-N 3.34Å; F32-M36 VanDerWaalsContact O-N 3.09Å; V33-M36 PolarHBondContact O-N 3.44Å; D34-M36 VanDerWaalsContact C-N 3.31Å; D34-M36 PolarHBondContact O-N 3.35Å; M36-N44 WeakPolarHBondContact CA-OD1 3.37Å; M36-N44 HydrophobicContact CE-CB 4.33Å; M36-N44 HydrophobicContact CG-CB 4.37Å; M36-N44 PolarHBondContact O-ND2 3.46Å; M36-N44 PolarHBondContact O-OD1 2.7Å |
| 37 | T | 87.1 | Confident | 88.6 | Confident | 113 Ų | 113 | 85.2 Ų | 85.2 | 69% | 0.693 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -79 | -26.8 | 175 | 62.4 | 0 | 0 | 0 | 0 | 114 | V33 D34 R35 | V33-T37 PolarHBondContact O-N 3.15Å; D34-T37 PolarHBondContact O-N 2.86Å; D34-T37 VanDerWaalsContact O-N 3.15Å; D34-T37 PolarHBondContact O-OG1 3.29Å; R35-T37 PolarHBondContact O-N 3.35Å |
| 38 | E | 86.6 | Confident | 88.9 | Confident | 133 Ų | 133 | 84.8 Ų | 84.8 | 62% | 0.621 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -78.1 | -25.3 | 179.3 | -69.3 | 174.9 | -179.6 | 0 | 0 | 113 | D34 R35 | D34-E38 PolarHBondContact O-N 3.3Å; R35-E38 PolarHBondContact O-N 3.2Å; R35-E38 VanDerWaalsContact O-N 3.16Å |
| 39 | Q | 86.2 | Confident | 89.2 | Confident | 69 Ų | 69 | 81.1 Ų | 81.1 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -97.1 | 154.6 | -171.4 | -71.4 | -177.6 | -28.9 | 0 | 0 | 113.8 | R35 Q43 N44 | R35-Q39 PolarHBondContact O-N 3.41Å; Q39-Q43 HydrophobicContact CB-CB 4.11Å; Q39-N44 WeakPolarHBondContact CB-OD1 3.32Å; Q39-N44 PolarHBondContact O-ND2 2.79Å; Q39-N44 PolarHBondContact OE1-OD1 3.18Å |
| 40 | S | 89.7 | Confident | 89.4 | Confident | 70 Ų | 70 | 77.5 Ų | 77.5 | 49% | 0.49 | 41% | 0.406 | S | S | . | . | trans | -64.4 | 150.1 | 171.3 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | L42 Q43 N44 | S40-L42 PolarHBondContact O-N 3.09Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-Q43 VanDerWaalsContact N-OE1 3.15Å; S40-Q43 WeakPolarHBondContact O-CA 3.42Å; S40-Q43 WeakPolarHBondContact O-CB 3.47Å; S40-Q43 PolarHBondContact O-N 3.49Å; S40-N44 PolarHBondContact O-N 3.35Å | ||
| 41 | N | 90.6 | Very high | 89.6 | Confident | 142 Ų | 142 | 74.5 Ų | 74.5 | 76% | 0.759 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -51 | -37 | 177.4 | -70.5 | -26.7 | 0 | 0 | 0 | 113.3 | A45 | N41-A45 PolarHBondContact O-N 3.31Å |
| 42 | L | 91.3 | Very high | 90 | Very high | 59 Ų | 59 | 74.8 Ų | 74.8 | 31% | 0.309 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 177.5 | -177.1 | 59.4 | 0 | 0 | 0 | 112 | S40 A45 R46 I89 I92 E93 | S40-L42 PolarHBondContact O-N 3.09Å; S40-L42 VanDerWaalsContact O-N 3.08Å; L42-A45 PolarHBondContact O-N 3.45Å; L42-R46 PolarHBondContact O-N 3.46Å; L42-I89 HydrophobicContact CD1-CG2 4.5Å; L42-I92 HydrophobicContact CD1-CG2 3.88Å; L42-E93 HydrophobicContact CD1-CG 4.38Å; L42-E93 HydrophobicContact CD2-CG 3.77Å; L42-E93 HydrophobicContact CG-CG 4.24Å |
| 43 | Q | 91.5 | Very high | 90.6 | Very high | 104 Ų | 104 | 76.7 Ų | 76.7 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 175.8 | -70.6 | 172.5 | -22 | 0 | 0 | 110.7 | Q39 S40 A45 R46 T47 | Q39-Q43 HydrophobicContact CB-CB 4.11Å; S40-Q43 VanDerWaalsContact N-OE1 3.15Å; S40-Q43 WeakPolarHBondContact O-CA 3.42Å; S40-Q43 WeakPolarHBondContact O-CB 3.47Å; S40-Q43 PolarHBondContact O-N 3.49Å; Q43-A45 VanDerWaalsContact C-N 3.32Å; Q43-A45 PolarHBondContact O-N 3.34Å; Q43-R46 WeakPolarHBondContact O-CB 3.33Å; Q43-R46 PolarHBondContact O-N 3.4Å; Q43-R46 VanDerWaalsContact O-N 3.13Å; Q43-T47 PolarHBondContact O-N 3.14Å; Q43-T47 PolarHBondContact O-OG1 2.83Å |
| 44 | N | 92.4 | Very high | 91 | Very high | 16 Ų | 16 | 74.7 Ų | 74.7 | 9% | 0.086 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.5 | -45.6 | 174.1 | -77.7 | -29.6 | 0 | 0 | 0 | 112.3 | M36 Q39 S40 R46 N48 | M36-N44 WeakPolarHBondContact CA-OD1 3.37Å; M36-N44 HydrophobicContact CE-CB 4.33Å; M36-N44 HydrophobicContact CG-CB 4.37Å; M36-N44 PolarHBondContact O-ND2 3.46Å; M36-N44 PolarHBondContact O-OD1 2.7Å; Q39-N44 WeakPolarHBondContact CB-OD1 3.32Å; Q39-N44 PolarHBondContact O-ND2 2.79Å; Q39-N44 PolarHBondContact OE1-OD1 3.18Å; S40-N44 PolarHBondContact O-N 3.35Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 3.04Å; N44-N48 VanDerWaalsContact O-CB 3.31Å; N44-N48 WeakPolarHBondContact O-CB 3.38Å; N44-N48 PolarHBondContact O-N 2.95Å |
| 45 | A | 93 | Very high | 91.3 | Very high | 46 Ų | 46 | 74.6 Ų | 74.6 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N41 L42 Q43 N48 V49 | N41-A45 PolarHBondContact O-N 3.31Å; L42-A45 PolarHBondContact O-N 3.45Å; Q43-A45 VanDerWaalsContact C-N 3.32Å; Q43-A45 PolarHBondContact O-N 3.34Å; A45-N48 PolarHBondContact O-N 3.4Å; A45-V49 WeakPolarHBondContact O-CG2 3.35Å; A45-V49 PolarHBondContact O-N 3.27Å; A45-V49 VanDerWaalsContact O-N 3.11Å |
| 46 | R | 93.8 | Very high | 91.8 | Very high | 96 Ų | 96 | 74.3 Ų | 74.3 | 36% | 0.362 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.3 | -54.4 | 176 | -178.8 | 174.3 | -179.5 | 151.5 | -2.3 | 112.5 | L42 Q43 N44 N48 V49 E50 I89 E93 | L42-R46 PolarHBondContact O-N 3.46Å; Q43-R46 WeakPolarHBondContact O-CB 3.33Å; Q43-R46 PolarHBondContact O-N 3.4Å; Q43-R46 VanDerWaalsContact O-N 3.13Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 3.04Å; R46-N48 PolarHBondContact O-N 3.18Å; R46-V49 PolarHBondContact O-N 3.38Å; R46-V49 VanDerWaalsContact O-N 3.08Å; R46-E50 HydrophobicContact CG-CG 4.37Å; R46-E50 VanDerWaalsContact CG-OE1 3.31Å; R46-E50 WeakPolarHBondContact CG-OE1 3.24Å; R46-E50 IonicContact CZ-OE1 2.77Å; R46-E50 IonicContact NE-OE1 3.02Å; R46-E50 PolarHBondContact NE-OE1 2.95Å; R46-E50 IonicContact NH2-OE1 3.04Å; R46-E50 WeakPolarHBondContact O-CG 3.49Å; R46-E50 PolarHBondContact O-N 2.9Å; R46-I89 HydrophobicContact CB-CG2 4.12Å; R46-I89 HydrophobicContact CG-CG2 4.41Å; R46-E93 WeakPolarHBondContact CD-OE1 3.36Å; R46-E93 IonicContact CZ-OE1 3.41Å; R46-E93 VanDerWaalsContact NH1-CD 3.35Å; R46-E93 IonicContact NH1-OE1 3.84Å; R46-E93 PolarHBondContact NH1-OE1 3.23Å; R46-E93 IonicContact NH1-OE2 3.49Å; R46-E93 PolarHBondContact NH1-OE2 3.35Å |
| 47 | T | 92.8 | Very high | 92.2 | Very high | 26 Ų | 26 | 71.1 Ų | 71.1 | 16% | 0.16 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.5 | -37.2 | 179 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | Y27 Q43 E50 L51 | Y27-T47 WeakPolarHBondContact OH-CG2 3.42Å; Q43-T47 PolarHBondContact O-N 3.14Å; Q43-T47 PolarHBondContact O-OG1 2.83Å; T47-E50 PolarHBondContact O-N 3.21Å; T47-L51 WeakPolarHBondContact O-CB 3.49Å; T47-L51 PolarHBondContact O-N 3.39Å |
| 48 | N | 93.3 | Very high | 92.4 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 175.3 | -173.9 | 54.9 | 0 | 0 | 0 | 112.3 | N44 A45 R46 L51 M52 | N44-N48 VanDerWaalsContact O-CB 3.31Å; N44-N48 WeakPolarHBondContact O-CB 3.38Å; N44-N48 PolarHBondContact O-N 2.95Å; A45-N48 PolarHBondContact O-N 3.4Å; R46-N48 PolarHBondContact O-N 3.18Å; N48-L51 PolarHBondContact O-N 3.13Å; N48-M52 WeakPolarHBondContact O-CG 3.4Å; N48-M52 PolarHBondContact O-N 3.02Å |
| 49 | V | 95.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 67.2 Ų | 67.2 | 10% | 0.097 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68 | -37.6 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | A45 R46 M52 Y53 I82 K85 L86 I89 | A45-V49 WeakPolarHBondContact O-CG2 3.35Å; A45-V49 PolarHBondContact O-N 3.27Å; A45-V49 VanDerWaalsContact O-N 3.11Å; R46-V49 PolarHBondContact O-N 3.38Å; R46-V49 VanDerWaalsContact O-N 3.08Å; V49-M52 PolarHBondContact O-N 3.37Å; V49-Y53 PolarHBondContact O-N 3.22Å; V49-I82 HydrophobicContact CG1-CG2 4.1Å; V49-K85 HydrophobicContact CG1-CB 3.96Å; V49-K85 HydrophobicContact CG2-CB 4.22Å; V49-L86 HydrophobicContact CB-CD2 4.24Å; V49-L86 HydrophobicContact CG1-CD2 3.57Å; V49-L86 HydrophobicContact CG1-CG 3.64Å; V49-I89 HydrophobicContact CB-CD1 3.86Å; V49-I89 HydrophobicContact CG1-CD1 4.35Å; V49-I89 HydrophobicContact CG2-CD1 3.53Å |
| 50 | E | 93.9 | Very high | 93.1 | Very high | 75 Ų | 75 | 67.8 Ų | 67.8 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 172.9 | -71.7 | 169.4 | 174.1 | 0 | 0 | 111.4 | R46 T47 M52 Y53 V54 L86 | R46-E50 HydrophobicContact CG-CG 4.37Å; R46-E50 VanDerWaalsContact CG-OE1 3.31Å; R46-E50 WeakPolarHBondContact CG-OE1 3.24Å; R46-E50 IonicContact CZ-OE1 2.77Å; R46-E50 IonicContact NE-OE1 3.02Å; R46-E50 PolarHBondContact NE-OE1 2.95Å; R46-E50 IonicContact NH2-OE1 3.04Å; R46-E50 WeakPolarHBondContact O-CG 3.49Å; R46-E50 PolarHBondContact O-N 2.9Å; T47-E50 PolarHBondContact O-N 3.21Å; E50-M52 PolarHBondContact O-N 3.05Å; E50-Y53 VanDerWaalsContact O-CB 3.3Å; E50-Y53 WeakPolarHBondContact O-CB 3.45Å; E50-Y53 PolarHBondContact O-N 3.07Å; E50-Y53 VanDerWaalsContact O-N 3.14Å; E50-V54 WeakPolarHBondContact O-CG2 3.3Å; E50-V54 PolarHBondContact O-N 3.48Å; E50-L86 HydrophobicContact CG-CD2 4.46Å |
| 51 | L | 93.2 | Very high | 93.2 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.1 | -178.1 | 61.4 | 0 | 0 | 0 | 111.9 | Y27 F32 T47 N48 Y53 V54 V55 | Y27-L51 HydrophobicContact CE1-CD1 4.49Å; F32-L51 HydrophobicContact CE2-CD2 4.32Å; T47-L51 WeakPolarHBondContact O-CB 3.49Å; T47-L51 PolarHBondContact O-N 3.39Å; N48-L51 PolarHBondContact O-N 3.13Å; L51-Y53 VanDerWaalsContact C-N 3.27Å; L51-Y53 PolarHBondContact O-N 2.86Å; L51-V54 PolarHBondContact O-N 3.35Å; L51-V55 HydrophobicContact CD1-CG2 4.37Å; L51-V55 WeakPolarHBondContact O-CG2 3.34Å; L51-V55 PolarHBondContact O-N 2.82Å |
| 52 | M | 94.8 | Very high | 93.3 | Very high | 81 Ų | 81 | 64.8 Ų | 64.8 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 174 | -66.3 | -58.9 | 98.2 | 0 | 0 | 111.8 | N48 V49 E50 N56 I82 | N48-M52 WeakPolarHBondContact O-CG 3.4Å; N48-M52 PolarHBondContact O-N 3.02Å; V49-M52 PolarHBondContact O-N 3.37Å; E50-M52 PolarHBondContact O-N 3.05Å; M52-N56 WeakPolarHBondContact O-CB 3.5Å; M52-N56 PolarHBondContact O-N 3.28Å; M52-N56 VanDerWaalsContact O-N 3.11Å; M52-I82 HydrophobicContact CB-CD1 4.05Å; M52-I82 HydrophobicContact CB-CG1 4.45Å; M52-I82 WeakPolarHBondContact O-CD1 3.43Å |
| 53 | Y | 95.4 | Very high | 93.4 | Very high | 123 Ų | 123 | 62.5 Ų | 62.5 | 48% | 0.482 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 173.9 | 176.8 | -105.6 | 0 | 0 | 0 | 111.5 | V49 E50 L51 V55 N56 A57 L79 I82 | V49-Y53 PolarHBondContact O-N 3.22Å; E50-Y53 VanDerWaalsContact O-CB 3.3Å; E50-Y53 WeakPolarHBondContact O-CB 3.45Å; E50-Y53 PolarHBondContact O-N 3.07Å; E50-Y53 VanDerWaalsContact O-N 3.14Å; L51-Y53 VanDerWaalsContact C-N 3.27Å; L51-Y53 PolarHBondContact O-N 2.86Å; Y53-V55 PolarHBondContact O-N 3.04Å; Y53-N56 PolarHBondContact O-N 2.64Å; Y53-A57 VanDerWaalsContact O-CB 3.3Å; Y53-A57 WeakPolarHBondContact O-CB 3.31Å; Y53-A57 PolarHBondContact O-N 2.66Å; Y53-L79 HydrophobicContact CD2-CD2 4.2Å; Y53-L79 HydrophobicContact CE2-CD2 4.23Å; Y53-I82 HydrophobicContact CD2-CG2 4.19Å; Y53-I82 HydrophobicContact CG-CG2 4.48Å |
| 54 | V | 93.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 64.7 Ų | 64.7 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.3 | -51.3 | -179.7 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | E50 L51 N56 A57 L58 | E50-V54 WeakPolarHBondContact O-CG2 3.3Å; E50-V54 PolarHBondContact O-N 3.48Å; L51-V54 PolarHBondContact O-N 3.35Å; V54-N56 VanDerWaalsContact C-N 3.32Å; V54-N56 PolarHBondContact O-N 2.84Å; V54-A57 PolarHBondContact O-N 2.91Å; V54-L58 HydrophobicContact CG1-CD1 4.09Å; V54-L58 HydrophobicContact CG1-CG 4.38Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.31Å; V54-L58 PolarHBondContact O-N 2.65Å |
| 55 | V | 93.9 | Very high | 93.3 | Very high | 75 Ų | 75 | 68.7 Ų | 68.7 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | -179.4 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | L51 Y53 L58 F59 | L51-V55 HydrophobicContact CD1-CG2 4.37Å; L51-V55 WeakPolarHBondContact O-CG2 3.34Å; L51-V55 PolarHBondContact O-N 2.82Å; Y53-V55 PolarHBondContact O-N 3.04Å; V55-L58 PolarHBondContact O-N 3.49Å; V55-F59 PolarHBondContact O-N 3.42Å |
| 56 | N | 94 | Very high | 93.2 | Very high | 33 Ų | 33 | 71.7 Ų | 71.7 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.3 | -35.3 | 178.7 | -76.8 | -2.6 | 0 | 0 | 0 | 112.7 | M52 Y53 V54 F59 W60 I75 L79 I82 | M52-N56 WeakPolarHBondContact O-CB 3.5Å; M52-N56 PolarHBondContact O-N 3.28Å; M52-N56 VanDerWaalsContact O-N 3.11Å; Y53-N56 PolarHBondContact O-N 2.64Å; V54-N56 VanDerWaalsContact C-N 3.32Å; V54-N56 PolarHBondContact O-N 2.84Å; N56-F59 PolarHBondContact O-N 3.29Å; N56-W60 WeakPolarHBondContact O-CB 3.43Å; N56-W60 PolarHBondContact O-N 3.48Å; N56-I75 HydrophobicContact CB-CD1 4.18Å; N56-I75 WeakPolarHBondContact O-CD1 3.3Å; N56-L79 HydrophobicContact CB-CD2 3.94Å; N56-I82 HydrophobicContact CB-CD1 4.12Å; N56-I82 WeakPolarHBondContact ND2-CD1 3.36Å |
| 57 | A | 92.8 | Very high | 92.8 | Very high | 28 Ų | 28 | 74.6 Ų | 74.6 | 23% | 0.231 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y53 V54 W60 C61 | Y53-A57 VanDerWaalsContact O-CB 3.3Å; Y53-A57 WeakPolarHBondContact O-CB 3.31Å; Y53-A57 PolarHBondContact O-N 2.66Å; V54-A57 PolarHBondContact O-N 2.91Å; A57-W60 WeakPolarHBondContact O-CB 3.3Å; A57-W60 PolarHBondContact O-N 2.87Å; A57-C61 PolarHBondContact O-N 3.43Å; A57-C61 PolarHBondContact O-SG 3.28Å; A57-C61 VanDerWaalsContact O-SG 3.38Å |
| 58 | L | 93.1 | Very high | 92.5 | Very high | 71 Ų | 71 | 76.2 Ų | 76.2 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 174.7 | -65.5 | 179.6 | 0 | 0 | 0 | 112 | L20 V54 V55 W60 C61 Q62 | L20-L58 HydrophobicContact CD1-CD2 4.4Å; L20-L58 HydrophobicContact CD2-CD1 4.38Å; L20-L58 HydrophobicContact CD2-CD2 3.33Å; L20-L58 HydrophobicContact CD2-CG 4.49Å; L20-L58 HydrophobicContact CG-CD2 4.47Å; V54-L58 HydrophobicContact CG1-CD1 4.09Å; V54-L58 HydrophobicContact CG1-CG 4.38Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.31Å; V54-L58 PolarHBondContact O-N 2.65Å; V55-L58 PolarHBondContact O-N 3.49Å; L58-W60 VanDerWaalsContact C-N 3.32Å; L58-W60 PolarHBondContact O-N 3.33Å; L58-C61 WeakPolarHBondContact O-CB 3.31Å; L58-C61 PolarHBondContact O-N 3.34Å; L58-Q62 PolarHBondContact O-N 2.92Å |
| 59 | F | 93.7 | Very high | 92.2 | Very high | 93 Ų | 93 | 76.5 Ų | 76.5 | 41% | 0.408 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 174.9 | -175.9 | -135 | 0 | 0 | 0 | 111.7 | V55 N56 Q62 L63 H73 I75 | V55-F59 PolarHBondContact O-N 3.42Å; N56-F59 PolarHBondContact O-N 3.29Å; F59-Q62 PolarHBondContact O-N 2.95Å; F59-L63 HydrophobicContact CE1-CD1 4.21Å; F59-L63 HydrophobicContact CE2-CD2 4.25Å; F59-L63 HydrophobicContact CE2-CG 4.24Å; F59-L63 HydrophobicContact CZ-CD1 4.22Å; F59-L63 HydrophobicContact CZ-CD2 4.16Å; F59-L63 HydrophobicContact CZ-CG 4.27Å; F59-L63 WeakPolarHBondContact O-CG 3.39Å; F59-L63 PolarHBondContact O-N 3.2Å; F59-H73 AromaticContact CE1-CE1 3.68Å; F59-I75 HydrophobicContact CB-CD1 4.01Å; F59-I75 HydrophobicContact CD1-CD1 3.21Å; F59-I75 HydrophobicContact CE1-CD1 3.98Å; F59-I75 HydrophobicContact CG-CD1 4.01Å |
| 60 | W | 92.4 | Very high | 91.5 | Very high | 81 Ų | 81 | 75.9 Ų | 75.9 | 31% | 0.307 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 171.8 | -175.6 | 90.8 | 0 | 0 | 0 | 112.2 | N56 A57 L58 Q62 L63 R64 A70 I75 | N56-W60 WeakPolarHBondContact O-CB 3.43Å; N56-W60 PolarHBondContact O-N 3.48Å; A57-W60 WeakPolarHBondContact O-CB 3.3Å; A57-W60 PolarHBondContact O-N 2.87Å; L58-W60 VanDerWaalsContact C-N 3.32Å; L58-W60 PolarHBondContact O-N 3.33Å; W60-Q62 VanDerWaalsContact C-N 3.34Å; W60-Q62 PolarHBondContact O-N 3.02Å; W60-L63 PolarHBondContact O-N 2.97Å; W60-R64 HydrophobicContact CD2-CG 4.4Å; W60-R64 HydrophobicContact CE3-CG 4.38Å; W60-R64 HydrophobicContact CH2-CG 4.48Å; W60-R64 HydrophobicContact CZ2-CG 4.46Å; W60-R64 VanDerWaalsContact CZ2-NH1 3.33Å; W60-R64 HydrophobicContact CZ3-CG 4.41Å; W60-R64 WeakPolarHBondContact O-CG 3.4Å; W60-R64 PolarHBondContact O-N 2.99Å; W60-R64 VanDerWaalsContact O-N 3.17Å; W60-A70 HydrophobicContact CG-CB 4.3Å; W60-I75 HydrophobicContact CB-CG1 4.39Å |
| 61 | C | 92.1 | Very high | 90.9 | Very high | 62 Ų | 62 | 76 Ų | 76 | 42% | 0.419 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 174.1 | -70 | 0 | 0 | 0 | 0 | 111.6 | A57 L58 L63 R64 L65 | A57-C61 PolarHBondContact O-N 3.43Å; A57-C61 PolarHBondContact O-SG 3.28Å; A57-C61 VanDerWaalsContact O-SG 3.38Å; L58-C61 WeakPolarHBondContact O-CB 3.31Å; L58-C61 PolarHBondContact O-N 3.34Å; C61-L63 VanDerWaalsContact C-N 3.33Å; C61-L63 PolarHBondContact O-N 2.95Å; C61-R64 WeakPolarHBondContact O-CB 3.42Å; C61-R64 PolarHBondContact O-N 3.32Å; C61-R64 VanDerWaalsContact O-N 3.09Å; C61-L65 WeakPolarHBondContact O-CG 3.44Å; C61-L65 PolarHBondContact O-N 3.31Å |
| 62 | Q | 92.7 | Very high | 90.6 | Very high | 88 Ų | 88 | 81.8 Ų | 81.8 | 41% | 0.411 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 178.2 | -178.2 | 64.1 | -1.8 | 0 | 0 | 112.3 | L58 F59 W60 R64 L65 Q66 | L58-Q62 PolarHBondContact O-N 2.92Å; F59-Q62 PolarHBondContact O-N 2.95Å; W60-Q62 VanDerWaalsContact C-N 3.34Å; W60-Q62 PolarHBondContact O-N 3.02Å; Q62-R64 VanDerWaalsContact C-N 3.29Å; Q62-R64 PolarHBondContact O-N 3.47Å; Q62-L65 PolarHBondContact O-N 3.11Å; Q62-Q66 WeakPolarHBondContact O-CG 3.41Å; Q62-Q66 PolarHBondContact O-N 2.88Å; Q62-Q66 VanDerWaalsContact O-N 3.08Å |
| 63 | L | 93.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 80.8 Ų | 80.8 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 175 | -70 | 169.7 | 0 | 0 | 0 | 111.6 | F59 W60 C61 Q66 N67 C68 A70 H73 I75 | F59-L63 HydrophobicContact CE1-CD1 4.21Å; F59-L63 HydrophobicContact CE2-CD2 4.25Å; F59-L63 HydrophobicContact CE2-CG 4.24Å; F59-L63 HydrophobicContact CZ-CD1 4.22Å; F59-L63 HydrophobicContact CZ-CD2 4.16Å; F59-L63 HydrophobicContact CZ-CG 4.27Å; F59-L63 WeakPolarHBondContact O-CG 3.39Å; F59-L63 PolarHBondContact O-N 3.2Å; W60-L63 PolarHBondContact O-N 2.97Å; C61-L63 VanDerWaalsContact C-N 3.33Å; C61-L63 PolarHBondContact O-N 2.95Å; L63-Q66 PolarHBondContact O-N 2.89Å; L63-N67 PolarHBondContact O-N 2.9Å; L63-C68 HydrophobicContact CB-CB 4.29Å; L63-C68 HydrophobicContact CD2-CB 4.19Å; L63-C68 WeakPolarHBondContact O-CB 3.33Å; L63-C68 PolarHBondContact O-N 2.96Å; L63-A70 HydrophobicContact CB-CB 4.24Å; L63-H73 HydrophobicContact CD1-CB 4.18Å; L63-I75 HydrophobicContact CD1-CG2 4.08Å |
| 64 | R | 90.6 | Very high | 90.2 | Very high | 150 Ų | 150 | 78.8 Ų | 78.8 | 57% | 0.566 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67 | -36.7 | 177.5 | -64 | -158.5 | 74.3 | 125.5 | 5.9 | 112.7 | W60 C61 Q62 Q66 N67 A70 | W60-R64 HydrophobicContact CD2-CG 4.4Å; W60-R64 HydrophobicContact CE3-CG 4.38Å; W60-R64 HydrophobicContact CH2-CG 4.48Å; W60-R64 HydrophobicContact CZ2-CG 4.46Å; W60-R64 VanDerWaalsContact CZ2-NH1 3.33Å; W60-R64 HydrophobicContact CZ3-CG 4.41Å; W60-R64 WeakPolarHBondContact O-CG 3.4Å; W60-R64 PolarHBondContact O-N 2.99Å; W60-R64 VanDerWaalsContact O-N 3.17Å; C61-R64 WeakPolarHBondContact O-CB 3.42Å; C61-R64 PolarHBondContact O-N 3.32Å; C61-R64 VanDerWaalsContact O-N 3.09Å; Q62-R64 VanDerWaalsContact C-N 3.29Å; Q62-R64 PolarHBondContact O-N 3.47Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.45Å; R64-N67 PolarHBondContact O-N 3.08Å; R64-A70 HydrophobicContact CG-CB 4.03Å |
| 65 | L | 90 | Very high | 90.1 | Very high | 99 Ų | 99 | 76.2 Ų | 76.2 | 52% | 0.518 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.9 | -33.5 | 175.4 | -67.8 | 173.1 | 0 | 0 | 0 | 112.3 | L13 C61 Q62 N67 | L13-L65 HydrophobicContact CD2-CD2 3.74Å; C61-L65 WeakPolarHBondContact O-CG 3.44Å; C61-L65 PolarHBondContact O-N 3.31Å; Q62-L65 PolarHBondContact O-N 3.11Å; L65-N67 PolarHBondContact O-N 2.72Å |
| 66 | Q | 91 | Very high | 89.9 | Confident | 109 Ų | 109 | 76.8 Ų | 76.8 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 8.8 | 176.7 | -67.6 | 177.5 | -26 | 0 | 0 | 113.5 | Q62 L63 R64 C68 | Q62-Q66 WeakPolarHBondContact O-CG 3.41Å; Q62-Q66 PolarHBondContact O-N 2.88Å; Q62-Q66 VanDerWaalsContact O-N 3.08Å; L63-Q66 PolarHBondContact O-N 2.89Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.45Å; Q66-C68 PolarHBondContact O-N 2.96Å |
| 67 | N | 85.7 | Confident | 89.8 | Confident | 157 Ų | 157 | 82.9 Ų | 82.9 | 84% | 0.84 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 27 | -173.4 | -58.2 | -64.4 | 0 | 0 | 0 | 113.7 | L63 R64 L65 | L63-N67 PolarHBondContact O-N 2.9Å; R64-N67 PolarHBondContact O-N 3.08Å; L65-N67 PolarHBondContact O-N 2.72Å |
| 68 | C | 88.2 | Confident | 89.8 | Confident | 60 Ų | 60 | 85.9 Ų | 85.9 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | trans | -84.4 | 140.6 | 172.1 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | L63 Q66 A70 | L63-C68 HydrophobicContact CB-CB 4.29Å; L63-C68 HydrophobicContact CD2-CB 4.19Å; L63-C68 WeakPolarHBondContact O-CB 3.33Å; L63-C68 PolarHBondContact O-N 2.96Å; Q66-C68 PolarHBondContact O-N 2.96Å; C68-A70 PolarHBondContact O-N 3Å | ||
| 69 | D | 85.3 | Confident | 89.9 | Confident | 82 Ų | 82 | 84 Ų | 84 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | trans | -73.5 | 89 | 176.8 | -172.5 | -1.6 | 0 | 0 | 0 | 110.5 | A71 K72 H73 | D69-A71 PolarHBondContact O-N 3.16Å; D69-A71 VanDerWaalsContact O-N 3.13Å; D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 3.02Å; D69-K72 PolarHBondContact O-N 3.43Å; D69-K72 VanDerWaalsContact O-N 3.17Å; D69-K72 WeakPolarHBondContact OD2-CD 3.41Å; D69-K72 WeakPolarHBondContact OD2-CE 3.39Å; D69-K72 WeakPolarHBondContact OD2-CG 3.34Å; D69-K72 IonicContact OD2-NZ 2.65Å; D69-K72 PolarHBondContact OD2-NZ 3.36Å; D69-H73 PolarHBondContact O-N 3.33Å | ||
| 70 | A | 80.9 | Confident | 89.8 | Confident | 3 Ų | 3 | 83.4 Ų | 83.4 | 3% | 0.025 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W60 L63 R64 C68 | W60-A70 HydrophobicContact CG-CB 4.3Å; L63-A70 HydrophobicContact CB-CB 4.24Å; R64-A70 HydrophobicContact CG-CB 4.03Å; C68-A70 PolarHBondContact O-N 3Å |
| 71 | A | 80.9 | Confident | 90 | Very high | 78 Ų | 78 | 82 Ų | 82 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -31 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D69 | D69-A71 PolarHBondContact O-N 3.16Å; D69-A71 VanDerWaalsContact O-N 3.13Å; D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 3.02Å |
| 72 | K | 86.9 | Confident | 90.2 | Very high | 174 Ų | 174 | 79.2 Ų | 79.2 | 76% | 0.757 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -10.8 | 175 | -67 | -177.9 | -173.6 | 119.8 | 0 | 113 | D69 | D69-K72 PolarHBondContact O-N 3.43Å; D69-K72 VanDerWaalsContact O-N 3.17Å; D69-K72 WeakPolarHBondContact OD2-CD 3.41Å; D69-K72 WeakPolarHBondContact OD2-CE 3.39Å; D69-K72 WeakPolarHBondContact OD2-CG 3.34Å; D69-K72 IonicContact OD2-NZ 2.65Å; D69-K72 PolarHBondContact OD2-NZ 3.36Å |
| 73 | H | 90.3 | Very high | 90.2 | Very high | 60 Ų | 60 | 81.3 Ų | 81.3 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -77.2 | 142.1 | -177.1 | -170.4 | -86.9 | 0 | 0 | 0 | 111.3 | F59 L63 D69 I75 M76 | F59-H73 AromaticContact CE1-CE1 3.68Å; L63-H73 HydrophobicContact CD1-CB 4.18Å; D69-H73 PolarHBondContact O-N 3.33Å; H73-I75 HydrophobicContact CB-CG2 3.87Å; H73-I75 VanDerWaalsContact ND1-CB 3.31Å; H73-I75 WeakPolarHBondContact ND1-CB 3.44Å; H73-I75 VanDerWaalsContact ND1-CG2 3.31Å; H73-I75 WeakPolarHBondContact ND1-CG2 3.44Å; H73-I75 PolarHBondContact ND1-N 2.9Å; H73-I75 VanDerWaalsContact ND1-N 3.13Å; H73-I75 PolarHBondContact O-N 3.01Å; H73-M76 PolarHBondContact O-N 3.29Å; H73-M76 VanDerWaalsContact O-N 3.17Å |
| 74 | P | 91.9 | Very high | 90.4 | Very high | 80 Ų | 80 | 86.9 Ų | 86.9 | 52% | 0.519 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -14.7 | 179.3 | 22.6 | -35.4 | 0 | 0 | 0 | 114.6 | M76 K77 E78 | P74-M76 PolarHBondContact O-N 3.05Å; P74-M76 VanDerWaalsContact O-N 3.15Å; P74-K77 VanDerWaalsContact O-CB 3.31Å; P74-K77 WeakPolarHBondContact O-CB 3.43Å; P74-K77 PolarHBondContact O-N 3.48Å; P74-E78 PolarHBondContact O-N 3.35Å |
| 75 | I | 91.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 84.3 Ų | 84.3 | 3% | 0.031 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -51.4 | -35.3 | 172.2 | -170.2 | 108.7 | 0 | 0 | 0 | 112.4 | N56 F59 W60 L63 H73 K77 E78 L79 | N56-I75 HydrophobicContact CB-CD1 4.18Å; N56-I75 WeakPolarHBondContact O-CD1 3.3Å; F59-I75 HydrophobicContact CB-CD1 4.01Å; F59-I75 HydrophobicContact CD1-CD1 3.21Å; F59-I75 HydrophobicContact CE1-CD1 3.98Å; F59-I75 HydrophobicContact CG-CD1 4.01Å; W60-I75 HydrophobicContact CB-CG1 4.39Å; L63-I75 HydrophobicContact CD1-CG2 4.08Å; H73-I75 HydrophobicContact CB-CG2 3.87Å; H73-I75 VanDerWaalsContact ND1-CB 3.31Å; H73-I75 WeakPolarHBondContact ND1-CB 3.44Å; H73-I75 VanDerWaalsContact ND1-CG2 3.31Å; H73-I75 WeakPolarHBondContact ND1-CG2 3.44Å; H73-I75 PolarHBondContact ND1-N 2.9Å; H73-I75 VanDerWaalsContact ND1-N 3.13Å; H73-I75 PolarHBondContact O-N 3.01Å; I75-K77 PolarHBondContact O-N 3.24Å; I75-E78 WeakPolarHBondContact O-CA 3.49Å; I75-E78 WeakPolarHBondContact O-CB 3.31Å; I75-E78 PolarHBondContact O-N 3.48Å; I75-L79 HydrophobicContact CG1-CD1 4.36Å; I75-L79 HydrophobicContact CG1-CG 4.36Å; I75-L79 PolarHBondContact O-N 3.35Å |
| 76 | M | 89.7 | Confident | 90.8 | Very high | 88 Ų | 88 | 81.7 Ų | 81.7 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.2 | -32.7 | -179.9 | -166.8 | 63 | -174.7 | 0 | 0 | 111.5 | H73 P74 L79 N80 | H73-M76 PolarHBondContact O-N 3.29Å; H73-M76 VanDerWaalsContact O-N 3.17Å; P74-M76 PolarHBondContact O-N 3.05Å; P74-M76 VanDerWaalsContact O-N 3.15Å; M76-L79 HydrophobicContact SD-CD1 4.46Å; M76-N80 PolarHBondContact O-N 3.39Å; M76-N80 VanDerWaalsContact O-N 3.13Å; M76-N80 PolarHBondContact O-ND2 3.4Å; M76-N80 VanDerWaalsContact O-ND2 3.09Å |
| 77 | K | 92.7 | Very high | 91 | Very high | 161 Ų | 161 | 80.3 Ų | 80.3 | 70% | 0.7 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.8 | -41.2 | 172.5 | -60.7 | -177.1 | 178.4 | -179.4 | 0 | 110.9 | P74 I75 N80 N81 | P74-K77 VanDerWaalsContact O-CB 3.31Å; P74-K77 WeakPolarHBondContact O-CB 3.43Å; P74-K77 PolarHBondContact O-N 3.48Å; I75-K77 PolarHBondContact O-N 3.24Å; K77-N80 PolarHBondContact O-N 3.14Å; K77-N81 WeakPolarHBondContact O-CB 3.49Å; K77-N81 PolarHBondContact O-N 2.98Å |
| 78 | E | 93 | Very high | 91.4 | Very high | 91 Ų | 91 | 76.6 Ų | 76.6 | 43% | 0.425 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 177.4 | -66.1 | -55 | 151.3 | 0 | 0 | 113 | P74 I75 N80 N81 I82 | P74-E78 PolarHBondContact O-N 3.35Å; I75-E78 WeakPolarHBondContact O-CA 3.49Å; I75-E78 WeakPolarHBondContact O-CB 3.31Å; I75-E78 PolarHBondContact O-N 3.48Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 3.49Å; E78-N81 WeakPolarHBondContact O-CB 3.43Å; E78-N81 PolarHBondContact O-N 2.88Å; E78-N81 PolarHBondContact OE2-ND2 2.92Å; E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.33Å; E78-I82 PolarHBondContact O-N 3.35Å |
| 79 | L | 93.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 74.4 Ų | 74.4 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 173.8 | -71.1 | 172.9 | 0 | 0 | 0 | 111.6 | Y53 N56 I75 M76 I82 K83 | Y53-L79 HydrophobicContact CD2-CD2 4.2Å; Y53-L79 HydrophobicContact CE2-CD2 4.23Å; N56-L79 HydrophobicContact CB-CD2 3.94Å; I75-L79 HydrophobicContact CG1-CD1 4.36Å; I75-L79 HydrophobicContact CG1-CG 4.36Å; I75-L79 PolarHBondContact O-N 3.35Å; M76-L79 HydrophobicContact SD-CD1 4.46Å; L79-I82 PolarHBondContact O-N 2.97Å; L79-K83 PolarHBondContact O-N 3.46Å |
| 80 | N | 93.5 | Very high | 92 | Very high | 79 Ų | 79 | 76.1 Ų | 76.1 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 173.6 | -75.4 | -38.2 | 0 | 0 | 0 | 112.3 | M76 K77 E78 K83 Q84 | M76-N80 PolarHBondContact O-N 3.39Å; M76-N80 VanDerWaalsContact O-N 3.13Å; M76-N80 PolarHBondContact O-ND2 3.4Å; M76-N80 VanDerWaalsContact O-ND2 3.09Å; K77-N80 PolarHBondContact O-N 3.14Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 3.49Å; N80-K83 WeakPolarHBondContact O-CB 3.45Å; N80-K83 PolarHBondContact O-N 3.33Å; N80-Q84 WeakPolarHBondContact O-CG 3.43Å; N80-Q84 PolarHBondContact O-N 3.14Å |
| 81 | N | 94.9 | Very high | 92.6 | Very high | 52 Ų | 52 | 80.3 Ų | 80.3 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 174.3 | -177.6 | 19.2 | 0 | 0 | 0 | 111.4 | K77 E78 K83 Q84 K85 | K77-N81 WeakPolarHBondContact O-CB 3.49Å; K77-N81 PolarHBondContact O-N 2.98Å; E78-N81 WeakPolarHBondContact O-CB 3.43Å; E78-N81 PolarHBondContact O-N 2.88Å; E78-N81 PolarHBondContact OE2-ND2 2.92Å; N81-K83 PolarHBondContact O-N 3Å; N81-Q84 WeakPolarHBondContact O-CB 3.42Å; N81-Q84 PolarHBondContact O-N 3.03Å; N81-K85 WeakPolarHBondContact O-CG 3.13Å; N81-K85 PolarHBondContact O-N 2.98Å; N81-K85 WeakPolarHBondContact OD1-CE 3.41Å |
| 82 | I | 96.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.6 | -71.1 | 168.4 | 0 | 0 | 0 | 111.3 | V49 M52 Y53 N56 E78 L79 Q84 K85 L86 | V49-I82 HydrophobicContact CG1-CG2 4.1Å; M52-I82 HydrophobicContact CB-CD1 4.05Å; M52-I82 HydrophobicContact CB-CG1 4.45Å; M52-I82 WeakPolarHBondContact O-CD1 3.43Å; Y53-I82 HydrophobicContact CD2-CG2 4.19Å; Y53-I82 HydrophobicContact CG-CG2 4.48Å; N56-I82 HydrophobicContact CB-CD1 4.12Å; N56-I82 WeakPolarHBondContact ND2-CD1 3.36Å; E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.33Å; E78-I82 PolarHBondContact O-N 3.35Å; L79-I82 PolarHBondContact O-N 2.97Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 3Å; I82-K85 WeakPolarHBondContact O-CB 3.3Å; I82-K85 PolarHBondContact O-N 3.22Å; I82-K85 VanDerWaalsContact O-N 3.14Å; I82-L86 HydrophobicContact CG2-CD1 4.3Å; I82-L86 PolarHBondContact O-N 3.41Å |
| 83 | K | 94.3 | Very high | 93.2 | Very high | 132 Ų | 132 | 75 Ų | 75 | 57% | 0.574 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.9 | -42.9 | 174.6 | -175.4 | 179.5 | 179.1 | -180 | 0 | 111.7 | L79 N80 N81 L86 N87 | L79-K83 PolarHBondContact O-N 3.46Å; N80-K83 WeakPolarHBondContact O-CB 3.45Å; N80-K83 PolarHBondContact O-N 3.33Å; N81-K83 PolarHBondContact O-N 3Å; K83-L86 PolarHBondContact O-N 3.04Å; K83-N87 PolarHBondContact O-N 3.03Å |
| 84 | Q | 96.4 | Very high | 93.1 | Very high | 127 Ų | 127 | 77.6 Ų | 77.6 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 174.8 | -69.7 | 172.6 | -14.1 | 0 | 0 | 111.5 | N80 N81 I82 L86 N87 V88 | N80-Q84 WeakPolarHBondContact O-CG 3.43Å; N80-Q84 PolarHBondContact O-N 3.14Å; N81-Q84 WeakPolarHBondContact O-CB 3.42Å; N81-Q84 PolarHBondContact O-N 3.03Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 3Å; Q84-L86 VanDerWaalsContact C-N 3.35Å; Q84-L86 PolarHBondContact O-N 3.36Å; Q84-N87 WeakPolarHBondContact O-CB 3.49Å; Q84-N87 PolarHBondContact O-N 3.36Å; Q84-N87 VanDerWaalsContact O-N 3.16Å; Q84-V88 WeakPolarHBondContact O-CG2 3.44Å; Q84-V88 PolarHBondContact O-N 2.98Å |
| 85 | K | 96 | Very high | 92.7 | Very high | 96 Ų | 96 | 82.2 Ų | 82.2 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 176.6 | -69.1 | 172.5 | -179 | 175.7 | 0 | 112.6 | V49 N81 I82 N87 V88 I89 | V49-K85 HydrophobicContact CG1-CB 3.96Å; V49-K85 HydrophobicContact CG2-CB 4.22Å; N81-K85 WeakPolarHBondContact O-CG 3.13Å; N81-K85 PolarHBondContact O-N 2.98Å; N81-K85 WeakPolarHBondContact OD1-CE 3.41Å; I82-K85 WeakPolarHBondContact O-CB 3.3Å; I82-K85 PolarHBondContact O-N 3.22Å; I82-K85 VanDerWaalsContact O-N 3.14Å; K85-N87 VanDerWaalsContact C-N 3.34Å; K85-V88 PolarHBondContact O-N 3.49Å; K85-I89 WeakPolarHBondContact O-CG1 3.31Å; K85-I89 PolarHBondContact O-N 3.27Å |
| 86 | L | 94.6 | Very high | 92 | Very high | 45 Ų | 45 | 85 Ų | 85 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 174.5 | -73.9 | 173 | 0 | 0 | 0 | 111.9 | V49 E50 I82 K83 Q84 I89 K90 | V49-L86 HydrophobicContact CB-CD2 4.24Å; V49-L86 HydrophobicContact CG1-CD2 3.57Å; V49-L86 HydrophobicContact CG1-CG 3.64Å; E50-L86 HydrophobicContact CG-CD2 4.46Å; I82-L86 HydrophobicContact CG2-CD1 4.3Å; I82-L86 PolarHBondContact O-N 3.41Å; K83-L86 PolarHBondContact O-N 3.04Å; Q84-L86 VanDerWaalsContact C-N 3.35Å; Q84-L86 PolarHBondContact O-N 3.36Å; L86-I89 PolarHBondContact O-N 3.24Å; L86-K90 WeakPolarHBondContact O-CG 3.3Å; L86-K90 PolarHBondContact O-N 2.77Å |
| 87 | N | 95.1 | Very high | 91.4 | Very high | 80 Ų | 80 | 89.1 Ų | 89.1 | 43% | 0.428 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.5 | -71.7 | -8.5 | 0 | 0 | 0 | 111.8 | K83 Q84 K85 I89 K90 E91 | K83-N87 PolarHBondContact O-N 3.03Å; Q84-N87 WeakPolarHBondContact O-CB 3.49Å; Q84-N87 PolarHBondContact O-N 3.36Å; Q84-N87 VanDerWaalsContact O-N 3.16Å; K85-N87 VanDerWaalsContact C-N 3.34Å; N87-I89 VanDerWaalsContact C-N 3.34Å; N87-I89 PolarHBondContact O-N 3.01Å; N87-K90 PolarHBondContact O-N 3.02Å; N87-E91 WeakPolarHBondContact O-CB 3.42Å; N87-E91 PolarHBondContact O-N 3.48Å |
| 88 | V | 94.4 | Very high | 90.5 | Very high | 78 Ų | 78 | 83 Ų | 83 | 47% | 0.473 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | Q84 K85 E91 I92 | Q84-V88 WeakPolarHBondContact O-CG2 3.44Å; Q84-V88 PolarHBondContact O-N 2.98Å; K85-V88 PolarHBondContact O-N 3.49Å; V88-E91 PolarHBondContact O-N 2.93Å; V88-I92 HydrophobicContact CG1-CD1 3.9Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.43Å; V88-I92 PolarHBondContact O-N 3Å |
| 89 | I | 93.7 | Very high | 89.8 | Confident | 15 Ų | 15 | 85 Ų | 85 | 8% | 0.077 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 176.7 | -70.9 | 162.1 | 0 | 0 | 0 | 111 | L42 R46 V49 K85 L86 N87 E91 I92 E93 | L42-I89 HydrophobicContact CD1-CG2 4.5Å; R46-I89 HydrophobicContact CB-CG2 4.12Å; R46-I89 HydrophobicContact CG-CG2 4.41Å; V49-I89 HydrophobicContact CB-CD1 3.86Å; V49-I89 HydrophobicContact CG1-CD1 4.35Å; V49-I89 HydrophobicContact CG2-CD1 3.53Å; K85-I89 WeakPolarHBondContact O-CG1 3.31Å; K85-I89 PolarHBondContact O-N 3.27Å; L86-I89 PolarHBondContact O-N 3.24Å; N87-I89 VanDerWaalsContact C-N 3.34Å; N87-I89 PolarHBondContact O-N 3.01Å; I89-E91 VanDerWaalsContact C-N 3.31Å; I89-E91 PolarHBondContact O-N 3.12Å; I89-I92 PolarHBondContact O-N 3.39Å; I89-E93 HydrophobicContact CG2-CG 4.47Å; I89-E93 WeakPolarHBondContact O-CG 3.46Å; I89-E93 PolarHBondContact O-N 2.91Å |
| 90 | K | 92.2 | Very high | 89.2 | Confident | 118 Ų | 118 | 92.9 Ų | 92.9 | 51% | 0.513 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 175.4 | -73.2 | 175.6 | -179.8 | -176.3 | 0 | 111.9 | L86 N87 E93 L94 | L86-K90 WeakPolarHBondContact O-CG 3.3Å; L86-K90 PolarHBondContact O-N 2.77Å; N87-K90 PolarHBondContact O-N 3.02Å; K90-E93 PolarHBondContact O-N 3.42Å; K90-L94 WeakPolarHBondContact O-CB 3.18Å; K90-L94 VanDerWaalsContact O-CG 3.3Å; K90-L94 WeakPolarHBondContact O-CG 3.31Å; K90-L94 PolarHBondContact O-N 3.19Å |
| 91 | E | 92.8 | Very high | 88.7 | Confident | 91 Ų | 91 | 96.3 Ų | 96.3 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 176.8 | -167.3 | -170 | 153.8 | 0 | 0 | 111.5 | N87 V88 I89 L94 R95 | N87-E91 WeakPolarHBondContact O-CB 3.42Å; N87-E91 PolarHBondContact O-N 3.48Å; V88-E91 PolarHBondContact O-N 2.93Å; I89-E91 VanDerWaalsContact C-N 3.31Å; I89-E91 PolarHBondContact O-N 3.12Å; E91-L94 PolarHBondContact O-N 2.83Å; E91-R95 WeakPolarHBondContact O-CB 3.46Å; E91-R95 VanDerWaalsContact O-CG 3.24Å; E91-R95 WeakPolarHBondContact O-CG 3.4Å; E91-R95 PolarHBondContact O-N 3.32Å; E91-R95 IonicContact OE1-CZ 3.9Å; E91-R95 IonicContact OE1-NE 3.18Å; E91-R95 PolarHBondContact OE1-NE 3.4Å; E91-R95 IonicContact OE1-NH2 2.84Å; E91-R95 PolarHBondContact OE1-NH2 2.89Å |
| 92 | I | 91.4 | Very high | 88.3 | Confident | 85 Ų | 85 | 98.5 Ų | 98.5 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 176.1 | -66.7 | 165.3 | 0 | 0 | 0 | 111.1 | L42 V88 I89 L94 R95 G96 | L42-I92 HydrophobicContact CD1-CG2 3.88Å; V88-I92 HydrophobicContact CG1-CD1 3.9Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.43Å; V88-I92 PolarHBondContact O-N 3Å; I89-I92 PolarHBondContact O-N 3.39Å; I92-L94 VanDerWaalsContact C-N 3.31Å; I92-L94 PolarHBondContact O-N 3.25Å; I92-R95 PolarHBondContact O-N 3.49Å; I92-G96 PolarHBondContact O-N 3.47Å |
| 93 | E | 89.2 | Confident | 88 | Confident | 55 Ų | 55 | 101.9 Ų | 101.9 | 26% | 0.257 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 174.9 | -75.6 | 177.5 | 171.3 | 0 | 0 | 111.9 | L42 R46 I89 K90 | L42-E93 HydrophobicContact CD1-CG 4.38Å; L42-E93 HydrophobicContact CD2-CG 3.77Å; L42-E93 HydrophobicContact CG-CG 4.24Å; R46-E93 WeakPolarHBondContact CD-OE1 3.36Å; R46-E93 IonicContact CZ-OE1 3.41Å; R46-E93 VanDerWaalsContact NH1-CD 3.35Å; R46-E93 IonicContact NH1-OE1 3.84Å; R46-E93 PolarHBondContact NH1-OE1 3.23Å; R46-E93 IonicContact NH1-OE2 3.49Å; R46-E93 PolarHBondContact NH1-OE2 3.35Å; I89-E93 HydrophobicContact CG2-CG 4.47Å; I89-E93 WeakPolarHBondContact O-CG 3.46Å; I89-E93 PolarHBondContact O-N 2.91Å; K90-E93 PolarHBondContact O-N 3.42Å |
| 94 | L | 87.4 | Confident | 87.8 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74 | -38.9 | 177.2 | -70.5 | 172.6 | 0 | 0 | 0 | 112.7 | K90 E91 I92 G96 K97 G98 | K90-L94 WeakPolarHBondContact O-CB 3.18Å; K90-L94 VanDerWaalsContact O-CG 3.3Å; K90-L94 WeakPolarHBondContact O-CG 3.31Å; K90-L94 PolarHBondContact O-N 3.19Å; E91-L94 PolarHBondContact O-N 2.83Å; I92-L94 VanDerWaalsContact C-N 3.31Å; I92-L94 PolarHBondContact O-N 3.25Å; L94-G96 PolarHBondContact O-N 3.26Å; L94-K97 CarbonylContact O-C 3.56Å; L94-K97 WeakPolarHBondContact O-CA 3.45Å; L94-K97 WeakPolarHBondContact O-CB 3.48Å; L94-K97 PolarHBondContact O-N 2.97Å; L94-G98 PolarHBondContact O-N 3.35Å |
| 95 | R | 83 | Confident | 87.5 | Confident | 178 Ų | 178 | 93.5 Ų | 93.5 | 67% | 0.672 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -31.5 | 175 | -77.9 | 172.2 | 178.7 | -89.7 | 2.3 | 112 | E91 I92 K97 G98 | E91-R95 WeakPolarHBondContact O-CB 3.46Å; E91-R95 VanDerWaalsContact O-CG 3.24Å; E91-R95 WeakPolarHBondContact O-CG 3.4Å; E91-R95 PolarHBondContact O-N 3.32Å; E91-R95 IonicContact OE1-CZ 3.9Å; E91-R95 IonicContact OE1-NE 3.18Å; E91-R95 PolarHBondContact OE1-NE 3.4Å; E91-R95 IonicContact OE1-NH2 2.84Å; E91-R95 PolarHBondContact OE1-NH2 2.89Å; I92-R95 PolarHBondContact O-N 3.49Å; R95-K97 PolarHBondContact O-N 3.11Å; R95-G98 PolarHBondContact O-N 3.3Å |
| 96 | G | 77.4 | Confident | 87.3 | Confident | 64 Ų | 64 | 90.4 Ų | 90.4 | 66% | 0.66 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I92 L94 | I92-G96 PolarHBondContact O-N 3.47Å; L94-G96 PolarHBondContact O-N 3.26Å |
| 97 | K | 77.1 | Confident | 87.2 | Confident | 175 Ų | 175 | 94.6 Ų | 94.6 | 76% | 0.761 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -11.4 | 179.6 | -60.4 | 179.4 | -178 | 179.5 | 0 | 113.7 | L94 R95 | L94-K97 CarbonylContact O-C 3.56Å; L94-K97 WeakPolarHBondContact O-CA 3.45Å; L94-K97 WeakPolarHBondContact O-CB 3.48Å; L94-K97 PolarHBondContact O-N 2.97Å; R95-K97 PolarHBondContact O-N 3.11Å |
| 98 | G | 74.1 | Confident | 87 | Confident | 32 Ų | 32 | 99.1 Ų | 99.1 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -65.3 | 164.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L94 R95 K100 | L94-G98 PolarHBondContact O-N 3.35Å; R95-G98 PolarHBondContact O-N 3.3Å; G98-K100 PolarHBondContact O-N 3.4Å |
| 99 | P | 78 | Confident | 86.8 | Confident | 132 Ų | 132 | 100.6 Ų | 100.6 | 86% | 0.857 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 126.9 | 178.4 | 24.4 | -32.6 | 0 | 0 | 0 | 110.3 | I101 | P99-I101 PolarHBondContact O-N 3.07Š|
| 100 | K | 81 | Confident | 86.7 | Confident | 199 Ų | 199 | 104.8 Ų | 104.8 | 87% | 0.865 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 121.9 | 176.1 | -65.3 | 179.6 | -178.6 | 176.4 | 0 | 108.5 | G98 D102 | G98-K100 PolarHBondContact O-N 3.4Å; K100-D102 PolarHBondContact O-N 3.38Å |
| 101 | I | 83.1 | Confident | 86.6 | Confident | 150 Ų | 150 | 103.5 Ų | 103.5 | 77% | 0.769 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 126.1 | 173.6 | -60 | 172.4 | 0 | 0 | 0 | 108.4 | P99 A103 A106 | P99-I101 PolarHBondContact O-N 3.07Å; I101-A103 PolarHBondContact O-N 2.96Å; I101-A106 HydrophobicContact CG2-CB 4.25Å |
| 102 | D | 86.5 | Confident | 86.4 | Confident | 98 Ų | 98 | 105.2 Ų | 105.2 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | trans | -70.6 | 100.5 | 169 | 179.2 | -2.5 | 0 | 0 | 0 | 109 | K100 A104 A105 A106 | K100-D102 PolarHBondContact O-N 3.38Å; D102-A104 PolarHBondContact O-N 2.87Å; D102-A104 WeakPolarHBondContact OD1-CA 3.49Å; D102-A104 VanDerWaalsContact OD1-CB 3.29Å; D102-A104 WeakPolarHBondContact OD1-CB 3.39Å; D102-A104 PolarHBondContact OD1-N 3.31Å; D102-A105 HydrophobicContact CB-CB 3.86Å; D102-A105 PolarHBondContact O-N 3.23Å; D102-A105 VanDerWaalsContact O-N 3.14Å; D102-A105 PolarHBondContact OD1-N 3.09Å; D102-A106 PolarHBondContact O-N 3.3Å | ||
| 103 | A | 90.7 | Very high | 86.2 | Confident | 75 Ų | 75 | 105.7 Ų | 105.7 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.9 | -30.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I101 K107 | I101-A103 PolarHBondContact O-N 2.96Å; A103-K107 VanDerWaalsContact O-CB 3.27Å; A103-K107 WeakPolarHBondContact O-CB 3.37Å; A103-K107 PolarHBondContact O-N 3.38Å |
| 104 | A | 89.7 | Confident | 86.1 | Confident | 48 Ų | 48 | 108.4 Ų | 108.4 | 40% | 0.397 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | D102 K107 R108 | D102-A104 PolarHBondContact O-N 2.87Å; D102-A104 WeakPolarHBondContact OD1-CA 3.49Å; D102-A104 VanDerWaalsContact OD1-CB 3.29Å; D102-A104 WeakPolarHBondContact OD1-CB 3.39Å; D102-A104 PolarHBondContact OD1-N 3.31Å; A104-K107 PolarHBondContact O-N 2.92Å; A104-R108 VanDerWaalsContact O-CG 3.31Å; A104-R108 WeakPolarHBondContact O-CG 3.48Å; A104-R108 PolarHBondContact O-N 3.24Å |
| 105 | A | 91 | Very high | 85.9 | Confident | 35 Ų | 35 | 112.3 Ų | 112.3 | 29% | 0.289 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63 | -47.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | D102 K107 R108 L109 | D102-A105 HydrophobicContact CB-CB 3.86Å; D102-A105 PolarHBondContact O-N 3.23Å; D102-A105 VanDerWaalsContact O-N 3.14Å; D102-A105 PolarHBondContact OD1-N 3.09Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.13Å; A105-R108 WeakPolarHBondContact O-CB 3.45Å; A105-R108 PolarHBondContact O-N 3.03Å; A105-R108 VanDerWaalsContact O-N 3.08Å; A105-L109 WeakPolarHBondContact O-CG 3.46Å; A105-L109 PolarHBondContact O-N 2.89Å |
| 106 | A | 91.1 | Very high | 85.6 | Confident | 31 Ų | 31 | 106.1 Ų | 106.1 | 26% | 0.256 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -57.8 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | I101 D102 R108 L109 I110 | I101-A106 HydrophobicContact CG2-CB 4.25Å; D102-A106 PolarHBondContact O-N 3.3Å; A106-R108 PolarHBondContact O-N 2.91Å; A106-L109 PolarHBondContact O-N 3.01Å; A106-I110 VanDerWaalsContact O-CG1 3.26Å; A106-I110 WeakPolarHBondContact O-CG1 3.44Å; A106-I110 PolarHBondContact O-N 2.87Å |
| 107 | K | 92.1 | Very high | 85.2 | Confident | 133 Ų | 133 | 108.3 Ų | 108.3 | 58% | 0.578 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.1 | -42.2 | 174.9 | -176 | 177.5 | 180 | 179.6 | 0 | 112.1 | A103 A104 A105 Q111 | A103-K107 VanDerWaalsContact O-CB 3.27Å; A103-K107 WeakPolarHBondContact O-CB 3.37Å; A103-K107 PolarHBondContact O-N 3.38Å; A104-K107 PolarHBondContact O-N 2.92Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.13Å; K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 VanDerWaalsContact O-CG 3.22Å; K107-Q111 WeakPolarHBondContact O-CG 3.33Å; K107-Q111 PolarHBondContact O-N 3.29Å |
| 108 | R | 91.7 | Very high | 84.6 | Confident | 176 Ų | 176 | 105.9 Ų | 105.9 | 66% | 0.664 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.2 | -41.9 | 176.8 | -71.3 | 170.3 | -173.2 | 168 | 3.6 | 111.7 | A104 A105 A106 Q111 H112 | A104-R108 VanDerWaalsContact O-CG 3.31Å; A104-R108 WeakPolarHBondContact O-CG 3.48Å; A104-R108 PolarHBondContact O-N 3.24Å; A105-R108 WeakPolarHBondContact O-CB 3.45Å; A105-R108 PolarHBondContact O-N 3.03Å; A105-R108 VanDerWaalsContact O-N 3.08Å; A106-R108 PolarHBondContact O-N 2.91Å; R108-Q111 PolarHBondContact O-N 3.47Å; R108-H112 VanDerWaalsContact O-CB 3.29Å; R108-H112 WeakPolarHBondContact O-CB 3.31Å; R108-H112 PolarHBondContact O-N 3.41Å |
| 109 | L | 90.5 | Very high | 83.9 | Confident | 109 Ų | 109 | 107.9 Ų | 107.9 | 57% | 0.571 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.2 | -50.3 | 176.5 | -68.6 | 172.5 | 0 | 0 | 0 | 110.7 | A105 A106 Q111 H112 D113 | A105-L109 WeakPolarHBondContact O-CG 3.46Å; A105-L109 PolarHBondContact O-N 2.89Å; A106-L109 PolarHBondContact O-N 3.01Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.28Å; L109-H112 PolarHBondContact O-N 2.91Å; L109-D113 WeakPolarHBondContact O-CB 3.48Å; L109-D113 VanDerWaalsContact O-CG 3.3Å; L109-D113 PolarHBondContact O-N 3.21Å |
| 110 | I | 89.9 | Confident | 83 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 176.6 | -65.4 | 164 | 0 | 0 | 0 | 111.1 | A106 D113 L114 | A106-I110 VanDerWaalsContact O-CG1 3.26Å; A106-I110 WeakPolarHBondContact O-CG1 3.44Å; A106-I110 PolarHBondContact O-N 2.87Å; I110-D113 PolarHBondContact O-N 2.94Å; I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.3Å; I110-L114 WeakPolarHBondContact O-CB 3.39Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.35Å |
| 111 | Q | 90.6 | Very high | 81.8 | Confident | 92 Ų | 92 | 102.9 Ų | 102.9 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 178.4 | -76.5 | 179 | -19.4 | 0 | 0 | 112.7 | K107 R108 L109 W115 | K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 VanDerWaalsContact O-CG 3.22Å; K107-Q111 WeakPolarHBondContact O-CG 3.33Å; K107-Q111 PolarHBondContact O-N 3.29Å; R108-Q111 PolarHBondContact O-N 3.47Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.28Å; Q111-W115 WeakPolarHBondContact O-CB 3.39Å; Q111-W115 PolarHBondContact O-N 3.01Å |
| 112 | H | 89.9 | Confident | 80.3 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 175.5 | 173 | -88.8 | 0 | 0 | 0 | 111.2 | R108 L109 W115 S116 | R108-H112 VanDerWaalsContact O-CB 3.29Å; R108-H112 WeakPolarHBondContact O-CB 3.31Å; R108-H112 PolarHBondContact O-N 3.41Å; L109-H112 PolarHBondContact O-N 2.91Å; H112-W115 PolarHBondContact O-N 3.23Å; H112-S116 WeakPolarHBondContact O-CB 3.42Å; H112-S116 PolarHBondContact O-N 3.01Å; H112-S116 PolarHBondContact O-OG 3.34Å |
| 113 | D | 86.8 | Confident | 78.7 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | -178.7 | -68.8 | -4.1 | 0 | 0 | 0 | 111.1 | L109 I110 S116 L117 | L109-D113 WeakPolarHBondContact O-CB 3.48Å; L109-D113 VanDerWaalsContact O-CG 3.3Å; L109-D113 PolarHBondContact O-N 3.21Å; I110-D113 PolarHBondContact O-N 2.94Å; D113-S116 WeakPolarHBondContact CA-OG 3.31Å; D113-S116 PolarHBondContact O-N 3.09Å; D113-S116 PolarHBondContact O-OG 3.39Å; D113-L117 WeakPolarHBondContact O-CB 3Å; D113-L117 PolarHBondContact O-N 2.93Å |
| 114 | L | 86.6 | Confident | 76.9 | Confident | 112 Ų | 112 | 104.4 Ų | 104.4 | 59% | 0.586 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | 174 | -70.9 | 174.6 | 0 | 0 | 0 | 112.9 | I110 K118 | I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.3Å; I110-L114 WeakPolarHBondContact O-CB 3.39Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.35Å; L114-K118 PolarHBondContact O-N 3.3Å; L114-K118 VanDerWaalsContact O-N 3.12Å |
| 115 | W | 83.2 | Confident | 74.9 | Confident | 196 Ų | 196 | 107.9 Ų | 107.9 | 74% | 0.742 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.4 | -41 | 176.4 | -103.8 | -36.8 | 0 | 0 | 0 | 112.2 | Q111 H112 K118 S119 | Q111-W115 WeakPolarHBondContact O-CB 3.39Å; Q111-W115 PolarHBondContact O-N 3.01Å; H112-W115 PolarHBondContact O-N 3.23Å; W115-K118 PolarHBondContact O-N 3.3Å; W115-S119 PolarHBondContact O-N 3.29Å; W115-S119 PolarHBondContact O-OG 3.17Å; W115-S119 VanDerWaalsContact O-OG 3.11Å |
| 116 | S | 75.8 | Confident | 72.4 | Confident | 48 Ų | 48 | 108.9 Ų | 108.9 | 34% | 0.336 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -42 | 177.9 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | H112 D113 K118 S119 T120 | H112-S116 WeakPolarHBondContact O-CB 3.42Å; H112-S116 PolarHBondContact O-N 3.01Å; H112-S116 PolarHBondContact O-OG 3.34Å; D113-S116 WeakPolarHBondContact CA-OG 3.31Å; D113-S116 PolarHBondContact O-N 3.09Å; D113-S116 PolarHBondContact O-OG 3.39Å; S116-K118 PolarHBondContact O-N 3.47Å; S116-S119 VanDerWaalsContact CA-OG 3.32Å; S116-S119 WeakPolarHBondContact CA-OG 3.42Å; S116-S119 PolarHBondContact O-N 2.95Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-OG 3.24Å; S116-T120 PolarHBondContact O-N 3.08Å; S116-T120 PolarHBondContact O-OG1 3.13Å |
| 117 | L | 70.8 | Confident | 70 | Confident | 111 Ų | 111 | 110.9 Ų | 110.9 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.9 | -42.3 | 177.1 | -156.9 | 75 | 0 | 0 | 0 | 112.6 | D113 S119 T120 E121 | D113-L117 WeakPolarHBondContact O-CB 3Å; D113-L117 PolarHBondContact O-N 2.93Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 3.15Å; L117-T120 WeakPolarHBondContact CA-OG1 3.35Å; L117-T120 PolarHBondContact O-N 3.41Å; L117-T120 PolarHBondContact O-OG1 2.97Å; L117-E121 PolarHBondContact O-N 3.17Å |
| 118 | K | 64.4 | Low | 67.4 | Low | 123 Ų | 123 | 112.3 Ų | 112.3 | 54% | 0.535 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.6 | -38.7 | 175 | -168.6 | 171.3 | -175.3 | 177.1 | 0 | 110.9 | L114 W115 S116 Y122 | L114-K118 PolarHBondContact O-N 3.3Å; L114-K118 VanDerWaalsContact O-N 3.12Å; W115-K118 PolarHBondContact O-N 3.3Å; S116-K118 PolarHBondContact O-N 3.47Å; K118-Y122 HydrophobicContact CD-CE2 4.35Å; K118-Y122 HydrophobicContact CG-CD2 4.04Å; K118-Y122 HydrophobicContact CG-CE2 3.63Å; K118-Y122 WeakPolarHBondContact O-CD2 3.44Å; K118-Y122 PolarHBondContact O-N 3.42Å |
| 119 | S | 59.2 | Low | 65.6 | Low | 74 Ų | 74 | 111.6 Ų | 111.6 | 52% | 0.517 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.9 | -31.1 | 174.4 | 46.4 | 0 | 0 | 0 | 0 | 113.7 | W115 S116 L117 A123 | W115-S119 PolarHBondContact O-N 3.29Å; W115-S119 PolarHBondContact O-OG 3.17Å; W115-S119 VanDerWaalsContact O-OG 3.11Å; S116-S119 VanDerWaalsContact CA-OG 3.32Å; S116-S119 WeakPolarHBondContact CA-OG 3.42Å; S116-S119 PolarHBondContact O-N 2.95Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-OG 3.24Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 3.15Å; S119-A123 WeakPolarHBondContact O-CB 3.32Å; S119-A123 PolarHBondContact O-N 2.95Å |
| 120 | T | 58.4 | Low | 63.5 | Low | 77 Ų | 77 | 115.2 Ų | 115.2 | 47% | 0.472 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74.6 | -35.3 | 175.4 | 8.7 | 0 | 0 | 0 | 0 | 113 | S116 L117 Y122 A123 T124 | S116-T120 PolarHBondContact O-N 3.08Å; S116-T120 PolarHBondContact O-OG1 3.13Å; L117-T120 WeakPolarHBondContact CA-OG1 3.35Å; L117-T120 PolarHBondContact O-N 3.41Å; L117-T120 PolarHBondContact O-OG1 2.97Å; T120-Y122 VanDerWaalsContact C-N 3.3Å; T120-Y122 PolarHBondContact O-N 3.02Å; T120-A123 PolarHBondContact O-N 3.07Å; T120-T124 WeakPolarHBondContact O-CG2 3.33Å; T120-T124 PolarHBondContact O-N 3.31Å; T120-T124 VanDerWaalsContact O-N 3.14Å; T120-T124 PolarHBondContact O-OG1 3.13Å |
| 121 | E | 55 | Low | 61.4 | Low | 150 Ų | 150 | 122 Ų | 122 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.5 | -27.1 | 178.4 | -159.2 | 171.3 | -161.7 | 0 | 0 | 112.6 | L117 T124 | L117-E121 PolarHBondContact O-N 3.17Å; E121-T124 PolarHBondContact O-OG1 3.46Å |
| 122 | Y | 53.5 | Low | 59.1 | Low | 175 Ų | 175 | 125.7 Ų | 125.7 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -90.4 | -15.6 | 169.6 | -63.4 | -64.5 | 0 | 0 | 0 | 114.1 | K118 T120 | K118-Y122 HydrophobicContact CD-CE2 4.35Å; K118-Y122 HydrophobicContact CG-CD2 4.04Å; K118-Y122 HydrophobicContact CG-CE2 3.63Å; K118-Y122 WeakPolarHBondContact O-CD2 3.44Å; K118-Y122 PolarHBondContact O-N 3.42Å; T120-Y122 VanDerWaalsContact C-N 3.3Å; T120-Y122 PolarHBondContact O-N 3.02Å |
| 123 | A | 52.9 | Low | 57 | Low | 58 Ų | 58 | 125 Ų | 125 | 48% | 0.479 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -94.5 | -10.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S119 T120 S125 G126 | S119-A123 WeakPolarHBondContact O-CB 3.32Å; S119-A123 PolarHBondContact O-N 2.95Å; T120-A123 PolarHBondContact O-N 3.07Å; A123-S125 PolarHBondContact O-N 3.23Å; A123-S125 VanDerWaalsContact O-N 3.08Å; A123-G126 PolarHBondContact O-N 3.13Å |
| 124 | T | 52.4 | Low | 54.9 | Low | 122 Ų | 122 | 124.4 Ų | 124.4 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 3.5 | 173.8 | 43 | 0 | 0 | 0 | 0 | 114.2 | T120 E121 | T120-T124 WeakPolarHBondContact O-CG2 3.33Å; T120-T124 PolarHBondContact O-N 3.31Å; T120-T124 VanDerWaalsContact O-N 3.14Å; T120-T124 PolarHBondContact O-OG1 3.13Å; E121-T124 PolarHBondContact O-OG1 3.46Å |
| 125 | S | 46.8 | Very low | 53.2 | Low | 121 Ų | 121 | 128.2 Ų | 128.2 | 85% | 0.846 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 7.7 | 174.3 | -134.7 | 0 | 0 | 0 | 0 | 114.6 | A123 | A123-S125 PolarHBondContact O-N 3.23Å; A123-S125 VanDerWaalsContact O-N 3.08Å |
| 126 | G | 39.6 | Very low | 51.1 | Low | 55 Ų | 55 | 128.7 Ų | 128.7 | 57% | 0.567 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -177.5 | 108 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | A123 | A123-G126 PolarHBondContact O-N 3.13Š|
| 127 | G | 39.6 | Very low | 49.7 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | trans | 76.6 | 108.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | N129 | G127-N129 PolarHBondContact O-N 3.18Š| ||
| 128 | N | 38.7 | Very low | 48.2 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 87% | 0.866 | 72% | 0.721 | S | S | * | * | trans | -12.3 | 122 | 151.2 | -81.9 | -20.1 | 0 | 0 | 0 | 115.2 | ||||
| 129 | N | 52.5 | Low | 47.1 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | trans | -150.2 | 117.8 | 139.5 | -99.6 | -31.3 | 0 | 0 | 0 | 112.1 | G127 | G127-N129 PolarHBondContact O-N 3.18Š| ||
| 130 | Q | 47.7 | Very low | 46.3 | Very low | 184 Ų | 184 | 145 Ų | 145 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -54.6 | 128.1 | 172.1 | -65.6 | 160 | -18.2 | 0 | 0 | 110.7 | ||||
| 131 | R | 45.2 | Very low | 45.4 | Very low | 245 Ų | 245 | 150.3 Ų | 150.3 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | trans | -135.7 | 86.4 | 150.7 | -77.1 | -164.5 | 163.1 | -170.7 | -4.8 | 109.4 | D133 | R131-D133 PolarHBondContact O-N 3.22Å; R131-D133 VanDerWaalsContact O-N 3.14Å | ||
| 132 | H | 41.2 | Very low | 44.8 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | trans | -67.4 | 90.5 | 165.4 | -174.8 | -96.5 | 0 | 0 | 0 | 108.4 | S134 | H132-S134 PolarHBondContact CE1-OG 3.13Å; H132-S134 PolarHBondContact ND1-OG 3.23Å; H132-S134 PolarHBondContact O-N 3.49Å | ||
| 133 | D | 46.7 | Very low | 44.2 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | trans | -86.9 | 92.4 | 166.1 | -167.8 | -5.9 | 0 | 0 | 0 | 108.2 | R131 R135 | R131-D133 PolarHBondContact O-N 3.22Å; R131-D133 VanDerWaalsContact O-N 3.14Å; D133-R135 PolarHBondContact O-N 2.92Å; D133-R135 IonicContact OD1-NE 3.26Å; D133-R135 PolarHBondContact OD1-NE 3.17Å; D133-R135 IonicContact OD1-NH2 4Å; D133-R135 IonicContact OD2-CZ 3.44Å; D133-R135 IonicContact OD2-NE 3.22Å; D133-R135 PolarHBondContact OD2-NE 3.28Å; D133-R135 IonicContact OD2-NH2 2.81Å; D133-R135 PolarHBondContact OD2-NH2 3.49Å | ||
| 134 | S | 43.5 | Very low | 43.7 | Very low | 83 Ų | 83 | 146.9 Ų | 146.9 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | trans | -73.3 | 76.3 | 169.4 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | H132 | H132-S134 PolarHBondContact CE1-OG 3.13Å; H132-S134 PolarHBondContact ND1-OG 3.23Å; H132-S134 PolarHBondContact O-N 3.49Å | ||
| 135 | R | 49.8 | Very low | 43.1 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 73% | 0.725 | 75% | 0.752 | S | S | * | * | trans | -104.5 | 86 | 157.6 | -83.2 | -176.4 | -94.3 | -175.2 | -2.5 | 108.9 | D133 R137 | D133-R135 PolarHBondContact O-N 2.92Å; D133-R135 IonicContact OD1-NE 3.26Å; D133-R135 PolarHBondContact OD1-NE 3.17Å; D133-R135 IonicContact OD1-NH2 4Å; D133-R135 IonicContact OD2-CZ 3.44Å; D133-R135 IonicContact OD2-NE 3.22Å; D133-R135 PolarHBondContact OD2-NE 3.28Å; D133-R135 IonicContact OD2-NH2 2.81Å; D133-R135 PolarHBondContact OD2-NH2 3.49Å; R135-R137 VanDerWaalsContact C-N 3.26Å; R135-R137 PolarHBondContact O-N 3.21Å | ||
| 136 | K | 38.6 | Very low | 42.8 | Very low | 206 Ų | 206 | 150.8 Ų | 150.8 | 90% | 0.896 | 75% | 0.746 | S | S | * | * | trans | -45.4 | 97.3 | 150.7 | -96.2 | -177.2 | 170.4 | -177 | 0 | 107.2 | ||||
| 137 | R | 47.7 | Very low | 43 | Very low | 234 Ų | 234 | 156.3 Ų | 156.3 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -87.3 | 108.8 | 153.5 | -86.6 | -177.2 | 165 | 179.2 | -5 | 104.9 | R135 Y139 | R135-R137 VanDerWaalsContact C-N 3.26Å; R135-R137 PolarHBondContact O-N 3.21Å; R137-Y139 VanDerWaalsContact C-N 3.31Å; R137-Y139 PolarHBondContact O-N 3.31Å | ||
| 138 | E | 39.1 | Very low | 43.1 | Very low | 180 Ų | 180 | 161 Ų | 161 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | -52.8 | 102.4 | 161.4 | -79.6 | 172.6 | 144.8 | 0 | 0 | 107.3 | S140 | E138-S140 VanDerWaalsContact C-N 3.28Å; E138-S140 PolarHBondContact O-N 2.93Å | ||
| 139 | Y | 41 | Very low | 43.3 | Very low | 193 Ų | 193 | 161.1 Ų | 161.1 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | -83 | 88.7 | 162.7 | -156.5 | -93.8 | 0 | 0 | 0 | 105 | R137 K141 S143 | R137-Y139 VanDerWaalsContact C-N 3.31Å; R137-Y139 PolarHBondContact O-N 3.31Å; Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 3.41Å; Y139-S143 WeakPolarHBondContact CE1-OG 3.43Å; Y139-S143 PolarHBondContact OH-OG 2.77Å | ||
| 140 | S | 42.4 | Very low | 42.5 | Very low | 92 Ų | 92 | 162.6 Ų | 162.6 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | -61.4 | 99.7 | 169.5 | -67.2 | 0 | 0 | 0 | 0 | 108.1 | E138 S142 | E138-S140 VanDerWaalsContact C-N 3.28Å; E138-S140 PolarHBondContact O-N 2.93Å; S140-S142 VanDerWaalsContact C-N 3.34Å; S140-S142 PolarHBondContact O-N 3.24Å | ||
| 141 | K | 39.1 | Very low | 42.2 | Very low | 188 Ų | 188 | 162.6 Ų | 162.6 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 2.7 | 78.8 | 137.7 | -162.5 | 174.8 | -173.7 | 177.9 | 0 | 114 | Y139 | Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 3.41Å |
| 142 | S | 42.3 | Very low | 42 | Very low | 94 Ų | 94 | 158.8 Ų | 158.8 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | -145.1 | 11.6 | 164.7 | 95.9 | 0 | 0 | 0 | 0 | 112.8 | S140 | S140-S142 VanDerWaalsContact C-N 3.34Å; S140-S142 PolarHBondContact O-N 3.24Å | ||
| 143 | S | 41.5 | Very low | 41.8 | Very low | 49 Ų | 49 | 154 Ų | 154 | 34% | 0.343 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -113.1 | -4.2 | -175.2 | -35.2 | 0 | 0 | 0 | 0 | 113.9 | Y139 | Y139-S143 WeakPolarHBondContact CE1-OG 3.43Å; Y139-S143 PolarHBondContact OH-OG 2.77Å |
| 144 | E | 41.4 | Very low | 41.5 | Very low | 169 Ų | 169 | 157.9 Ų | 157.9 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -98.9 | 7.5 | 179.3 | -72.7 | 179.2 | 170 | 0 | 0 | 113 | ||
| 145 | E | 41.1 | Very low | 41.3 | Very low | 169 Ų | 169 | 162.4 Ų | 162.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -109 | -8.7 | 173.4 | -74 | 178.7 | 177.9 | 0 | 0 | 113.5 | ||
| 146 | E | 40.6 | Very low | 41 | Very low | 156 Ų | 156 | 161.9 Ų | 161.9 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -96.8 | -9.1 | 177.2 | -78.2 | -177.6 | 163.6 | 0 | 0 | 114.2 | K148 | E146-K148 VanDerWaalsContact C-N 3.32Š|
| 147 | E | 42.4 | Very low | 41.1 | Very low | 171 Ų | 171 | 160.7 Ų | 160.7 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 8.6 | 175 | -73.1 | -173.4 | 167.4 | 0 | 0 | 113.6 | ||
| 148 | K | 42.2 | Very low | 40.6 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | -1 | 171.2 | -84.9 | -171.7 | 176 | -176.3 | 0 | 115.4 | E146 | E146-K148 VanDerWaalsContact C-N 3.32Š|
| 149 | E | 42.9 | Very low | 40.5 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -100.5 | 0.8 | 175.8 | -77.2 | -170.3 | 160.1 | 0 | 0 | 114.1 | ||
| 150 | F | 36.1 | Very low | 40.3 | Very low | 194 Ų | 194 | 149.6 Ų | 149.6 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -105.7 | -6 | -178.3 | -137.4 | -96.6 | 0 | 0 | 0 | 115.2 | ||
| 151 | E | 41.9 | Very low | 40.2 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -106.2 | -4.7 | 174.8 | -87.9 | -172.4 | 159.5 | 0 | 0 | 114.5 | ||
| 152 | E | 40.1 | Very low | 40.5 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -98 | 4.8 | 176.7 | -68.7 | -174.6 | 170.1 | 0 | 0 | 113.7 | ||
| 153 | G | 36.9 | Very low | 40.6 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -88.6 | -2.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 154 | E | 40 | Very low | 40.9 | Very low | 190 Ų | 190 | 154.9 Ų | 154.9 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -105.9 | 2.8 | -174.3 | -65.3 | -159.7 | 159 | 0 | 0 | 115.3 | ||
| 155 | E | 40.1 | Very low | 41.6 | Very low | 178 Ų | 178 | 155 Ų | 155 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -117.5 | -3.2 | -179.7 | -75.6 | -166 | 155.8 | 0 | 0 | 116.7 | ||
| 156 | E | 43 | Very low | 41.7 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -105.2 | 50.6 | 179.7 | -64.1 | -142.7 | 163.6 | 0 | 0 | 114.5 | ||||
| 157 | L | 40.8 | Very low | 41.9 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -135.3 | 39.9 | 159.7 | -73.7 | 176.3 | 0 | 0 | 0 | 111 | ||
| 158 | S | 36.9 | Very low | 42.2 | Very low | 90 Ų | 90 | 148 Ų | 148 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -157.1 | 77.5 | 164.3 | 63 | 0 | 0 | 0 | 0 | 110.3 | ||
| 159 | N | 38.7 | Very low | 42.6 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | 152.4 | 104.1 | 151.1 | -81.1 | -21.5 | 0 | 0 | 0 | 110.5 | ||||
| 160 | S | 36.7 | Very low | 42.9 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 167.4 | 89.4 | 140.6 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 161 | S | 38.4 | Very low | 43.6 | Very low | 131 Ų | 131 | 142 Ų | 142 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -137.2 | 80.3 | 151.3 | -96.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 162 | S | 45.9 | Very low | 43.8 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | trans | -149 | 120.3 | 158.6 | -144.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 163 | D | 45.3 | Very low | 44.8 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | 63.7 | 105.8 | 148.9 | -53.4 | -44.6 | 0 | 0 | 0 | 119.1 | ||||
| 164 | N | 48.4 | Very low | 45.6 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -125 | 113.7 | 139.6 | -135.8 | -0.6 | 0 | 0 | 0 | 109.3 | ||||
| 165 | Q | 54.5 | Low | 45.9 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -93.1 | 176.6 | 179.1 | -123.4 | -152.2 | 19.6 | 0 | 0 | 110.1 | ||||
| 166 | P | 44.1 | Very low | 46.2 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | -108.7 | 163.9 | -114.2 | 34.9 | -20.3 | 0 | 0 | 0 | 113.9 | |||||
| 167 | A | 45.5 | Very low | 46.4 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -119 | 126.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 168 | T | 48.4 | Very low | 46.7 | Very low | 139 Ų | 139 | 139 Ų | 139 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -59.2 | 145.6 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 169 | S | 49.2 | Very low | 47.3 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | 151.4 | 132.8 | 124.2 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 170 | S | 49.6 | Very low | 47.9 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | 74.7 | 141.3 | 156.8 | -75 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 171 | R | 50.4 | Low | 48.7 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | cis | 172.6 | 139.5 | -1.6 | 164.3 | 172.6 | 177.5 | 162.8 | -0.1 | 106.6 | ||||
| 172 | M | 47.6 | Very low | 49.4 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | trans | 67.2 | 147.4 | 162.8 | -67.8 | 162.5 | 137.3 | 0 | 0 | 115.3 | ||||
| 173 | V | 60 | Low | 49.7 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | cis | -161.3 | 143.8 | 41 | 173.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 174 | E | 53.9 | Low | 50.2 | Low | 264 Ų | 264 | 147.9 Ų | 147.9 | 100% | 1.234 | 82% | 0.818 | S | S | * | * | trans | 64.2 | 0 | 164.1 | -75.6 | 173.6 | 164.3 | 0 | 0 | 121.2 |
Retrieved 174 of 174 residues in 297.4 ms
(Link to these results)