| 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 | 44.6 | Very low | 61.8 | Low | 231 Ų | 231 | 129.5 Ų | 129.5 | 100% | 1.138 | 64% | 0.642 | S | S | * | * | 0 | 105.9 | 0 | -65.3 | 166.8 | 75 | 0 | 0 | 108.7 | K3 | M1-K3 PolarHBondContact O-N 3.37Š| |||
| 2 | K | 59 | Low | 63.1 | Low | 195 Ų | 195 | 130.8 Ų | 130.8 | 85% | 0.848 | 64% | 0.641 | S | S | * | * | trans | -79.5 | 102.6 | 179.7 | -164.2 | 154.7 | 174.4 | 171.1 | 0 | 107.8 | F4 | K2-F4 PolarHBondContact O-N 3.07Š| ||
| 3 | K | 57.1 | Low | 63.7 | Low | 200 Ų | 200 | 126.1 Ų | 126.1 | 87% | 0.87 | 62% | 0.619 | S | S | * | * | trans | -69.2 | 109.6 | -178.3 | -61.4 | 179.2 | -177.5 | 177 | 0 | 107.9 | M1 A5 | M1-K3 PolarHBondContact O-N 3.37Å; K3-A5 PolarHBondContact O-N 3.37Å | ||
| 4 | F | 51 | Low | 64 | Low | 192 Ų | 192 | 119.6 Ų | 119.6 | 84% | 0.842 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -72 | 123.2 | 172.4 | -81.3 | -87.5 | 0 | 0 | 0 | 109 | K2 | K2-F4 PolarHBondContact O-N 3.07Š|
| 5 | A | 64.6 | Low | 64.5 | Low | 49 Ų | 49 | 117.6 Ų | 117.6 | 41% | 0.405 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -63 | 134.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | K3 S9 L10 | K3-A5 PolarHBondContact O-N 3.37Å; A5-S9 WeakPolarHBondContact CB-OG 3.34Å; A5-L10 HydrophobicContact CB-CD2 3.92Å; A5-L10 HydrophobicContact CB-CG 4.24Å |
| 6 | S | 67.7 | Low | 65 | Low | 79 Ų | 79 | 120.6 Ų | 120.6 | 55% | 0.552 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 148.7 | 170.7 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | R8 S9 L10 | S6-R8 PolarHBondContact O-N 3.45Å; S6-R8 PolarHBondContact OG-N 3.43Å; S6-S9 PolarHBondContact N-OG 3.33Å; S6-S9 WeakPolarHBondContact O-CA 3.5Å; S6-S9 PolarHBondContact O-N 3.19Å; S6-S9 PolarHBondContact O-OG 3.18Å; S6-L10 PolarHBondContact O-N 3.13Å |
| 7 | S | 62.6 | Low | 65.1 | Low | 69 Ų | 69 | 115.2 Ų | 115.2 | 48% | 0.483 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -52.6 | -28.9 | 173.6 | -49.4 | 0 | 0 | 0 | 0 | 112.7 | L10 N11 | S7-L10 PolarHBondContact O-N 3.37Å; S7-N11 PolarHBondContact O-N 3.43Å; S7-N11 PolarHBondContact O-ND2 2.86Å |
| 8 | R | 63 | Low | 65 | Low | 207 Ų | 207 | 116.2 Ų | 116.2 | 78% | 0.781 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.2 | -31.2 | 175.1 | -157.2 | 177.4 | -171.5 | -162.2 | 2.9 | 113 | S6 | S6-R8 PolarHBondContact O-N 3.45Å; S6-R8 PolarHBondContact OG-N 3.43Å |
| 9 | S | 70.1 | Confident | 64.9 | Low | 42 Ų | 42 | 115.5 Ų | 115.5 | 29% | 0.294 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -78.6 | -31.5 | 172.9 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | A5 S6 K12 I13 | A5-S9 WeakPolarHBondContact CB-OG 3.34Å; S6-S9 PolarHBondContact N-OG 3.33Å; S6-S9 WeakPolarHBondContact O-CA 3.5Å; S6-S9 PolarHBondContact O-N 3.19Å; S6-S9 PolarHBondContact O-OG 3.18Å; S9-K12 PolarHBondContact O-N 3.34Å; S9-I13 WeakPolarHBondContact O-CD1 3.48Å; S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.41Å; S9-I13 PolarHBondContact O-N 2.66Å; S9-I13 VanDerWaalsContact O-N 3.09Å |
| 10 | L | 67.1 | Low | 64.6 | Low | 58 Ų | 58 | 115.5 Ų | 115.5 | 30% | 0.304 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.8 | -43.4 | 176.9 | -67.9 | 176.6 | 0 | 0 | 0 | 112 | A5 S6 S7 K12 I13 L14 | A5-L10 HydrophobicContact CB-CD2 3.92Å; A5-L10 HydrophobicContact CB-CG 4.24Å; S6-L10 PolarHBondContact O-N 3.13Å; S7-L10 PolarHBondContact O-N 3.37Å; L10-K12 VanDerWaalsContact C-N 3.28Å; L10-K12 PolarHBondContact O-N 3.45Å; L10-I13 PolarHBondContact O-N 3.43Å; L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 PolarHBondContact O-N 3.2Å |
| 11 | N | 73.5 | Confident | 64.6 | Low | 102 Ų | 102 | 111.8 Ų | 111.8 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.3 | -34.1 | 176.1 | -78.5 | -60.3 | 0 | 0 | 0 | 113.3 | S7 A15 | S7-N11 PolarHBondContact O-N 3.43Å; S7-N11 PolarHBondContact O-ND2 2.86Å; N11-A15 PolarHBondContact O-N 3.19Å; N11-A15 VanDerWaalsContact O-N 3.14Å |
| 12 | K | 77.6 | Confident | 65.6 | Low | 145 Ų | 145 | 110.8 Ų | 110.8 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.6 | -38.7 | 175.7 | -75.8 | -176.1 | 172.2 | -170.1 | 0 | 112.1 | S9 L10 A15 Q16 | S9-K12 PolarHBondContact O-N 3.34Å; L10-K12 VanDerWaalsContact C-N 3.28Å; L10-K12 PolarHBondContact O-N 3.45Å; K12-A15 PolarHBondContact O-N 2.98Å; K12-Q16 WeakPolarHBondContact O-CG 3.29Å; K12-Q16 PolarHBondContact O-N 2.93Å |
| 13 | I | 70.5 | Confident | 66 | Low | 70 Ų | 70 | 107.2 Ų | 107.2 | 36% | 0.359 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.8 | -44.2 | 175.7 | -65.7 | 163 | 0 | 0 | 0 | 109.5 | S9 L10 A15 Q16 C17 | S9-I13 WeakPolarHBondContact O-CD1 3.48Å; S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.41Å; S9-I13 PolarHBondContact O-N 2.66Å; S9-I13 VanDerWaalsContact O-N 3.09Å; L10-I13 PolarHBondContact O-N 3.43Å; I13-A15 VanDerWaalsContact C-N 3.25Å; I13-A15 PolarHBondContact O-N 2.92Å; I13-Q16 CarbonylContact O-C 3.57Å; I13-Q16 PolarHBondContact O-N 3.09Å; I13-C17 PolarHBondContact O-N 3.18Å; I13-C17 PolarHBondContact O-SG 2.99Å |
| 14 | L | 67.1 | Low | 66.7 | Low | 36 Ų | 36 | 100.9 Ų | 100.9 | 19% | 0.188 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -60.5 | -33.8 | 178.6 | -160.6 | 71.3 | 0 | 0 | 0 | 113.1 | L10 Q16 Y24 V27 | L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 PolarHBondContact O-N 3.2Å; L14-Q16 VanDerWaalsContact C-N 3.29Å; L14-Y24 HydrophobicContact CD1-CD2 3.31Å; L14-Y24 HydrophobicContact CD1-CE2 3.2Å; L14-Y24 HydrophobicContact CD1-CG 4.15Å; L14-Y24 HydrophobicContact CD2-CE2 4.34Å; L14-Y24 HydrophobicContact CG-CD2 4.14Å; L14-Y24 HydrophobicContact CG-CE2 3.66Å; L14-V27 HydrophobicContact CD1-CG1 4.16Å |
| 15 | A | 72.8 | Confident | 68 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 74% | 0.736 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N11 K12 I13 | N11-A15 PolarHBondContact O-N 3.19Å; N11-A15 VanDerWaalsContact O-N 3.14Å; K12-A15 PolarHBondContact O-N 2.98Å; I13-A15 VanDerWaalsContact C-N 3.25Å; I13-A15 PolarHBondContact O-N 2.92Å |
| 16 | Q | 71.4 | Confident | 68.7 | Low | 166 Ų | 166 | 102.2 Ų | 102.2 | 78% | 0.776 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -11.7 | 178.7 | -70.1 | -179.2 | -17.9 | 0 | 0 | 112.9 | K12 I13 L14 | K12-Q16 WeakPolarHBondContact O-CG 3.29Å; K12-Q16 PolarHBondContact O-N 2.93Å; I13-Q16 CarbonylContact O-C 3.57Å; I13-Q16 PolarHBondContact O-N 3.09Å; L14-Q16 VanDerWaalsContact C-N 3.29Å |
| 17 | C | 66.6 | Low | 69.2 | Low | 28 Ų | 28 | 100 Ų | 100 | 19% | 0.189 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -89 | 126.6 | 178 | -69.3 | 0 | 0 | 0 | 0 | 110.4 | I13 S19 | I13-C17 PolarHBondContact O-N 3.18Å; I13-C17 PolarHBondContact O-SG 2.99Å; C17-S19 PolarHBondContact O-N 3.41Å |
| 18 | D | 63.8 | Low | 69.9 | Low | 134 Ų | 134 | 98.3 Ų | 98.3 | 72% | 0.717 | 50% | 0.502 | S | S | * | . | trans | -62.2 | 131.8 | 166.3 | -65.9 | -42.2 | 0 | 0 | 0 | 109.1 | S20 S21 | D18-S20 PolarHBondContact O-N 3.47Å; D18-S21 PolarHBondContact O-N 3.22Å | ||
| 19 | S | 62.4 | Low | 70.8 | Confident | 102 Ų | 102 | 91 Ų | 91 | 71% | 0.713 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -3.2 | -170.6 | -54.5 | 0 | 0 | 0 | 0 | 115.9 | C17 | C17-S19 PolarHBondContact O-N 3.41Š|
| 20 | S | 59.4 | Low | 71.3 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 81% | 0.811 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -1.1 | 176.5 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | D18 | D18-S20 PolarHBondContact O-N 3.47Š|
| 21 | S | 64.8 | Low | 71.7 | Confident | 37 Ų | 37 | 93.4 Ų | 93.4 | 26% | 0.259 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -74 | 138.5 | 178.1 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | D18 E23 Y24 | D18-S21 PolarHBondContact O-N 3.22Å; S21-E23 PolarHBondContact O-N 2.85Å; S21-E23 VanDerWaalsContact OG-CD 3.31Å; S21-E23 PolarHBondContact OG-N 3.34Å; S21-E23 PolarHBondContact OG-OE2 2.63Å; S21-Y24 VanDerWaalsContact O-CB 3.26Å; S21-Y24 WeakPolarHBondContact O-CB 3.45Å; S21-Y24 PolarHBondContact O-N 3.5Å |
| 22 | R | 65.7 | Low | 72 | Confident | 210 Ų | 210 | 95.8 Ų | 95.8 | 79% | 0.792 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -53.3 | -26.3 | 171.2 | -174.4 | 170.6 | -178.5 | -115.8 | 1.7 | 112.5 | E25 E26 | R22-E25 PolarHBondContact O-N 3.38Å; R22-E26 PolarHBondContact O-N 3.32Å; R22-E26 VanDerWaalsContact O-N 3.15Å |
| 23 | E | 67 | Low | 72.1 | Confident | 120 Ų | 120 | 96.1 Ų | 96.1 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.7 | -33.1 | 176.7 | -62.2 | 148.8 | 163.6 | 0 | 0 | 111.9 | S21 E26 V27 | S21-E23 PolarHBondContact O-N 2.85Å; S21-E23 VanDerWaalsContact OG-CD 3.31Å; S21-E23 PolarHBondContact OG-N 3.34Å; S21-E23 PolarHBondContact OG-OE2 2.63Å; E23-E26 PolarHBondContact O-N 3.48Å; E23-V27 WeakPolarHBondContact O-CB 3.33Å; E23-V27 WeakPolarHBondContact O-CG2 3.19Å; E23-V27 PolarHBondContact O-N 2.75Å |
| 24 | Y | 72.3 | Confident | 72.2 | Confident | 68 Ų | 68 | 99.6 Ų | 99.6 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 176.1 | -173.8 | -86.5 | 0 | 0 | 0 | 111 | L14 S21 V27 Q28 | L14-Y24 HydrophobicContact CD1-CD2 3.31Å; L14-Y24 HydrophobicContact CD1-CE2 3.2Å; L14-Y24 HydrophobicContact CD1-CG 4.15Å; L14-Y24 HydrophobicContact CD2-CE2 4.34Å; L14-Y24 HydrophobicContact CG-CD2 4.14Å; L14-Y24 HydrophobicContact CG-CE2 3.66Å; S21-Y24 VanDerWaalsContact O-CB 3.26Å; S21-Y24 WeakPolarHBondContact O-CB 3.45Å; S21-Y24 PolarHBondContact O-N 3.5Å; Y24-V27 PolarHBondContact O-N 3.11Å; Y24-Q28 HydrophobicContact CD1-CG 4.02Å; Y24-Q28 HydrophobicContact CE1-CG 3.67Å; Y24-Q28 WeakPolarHBondContact O-CB 3.41Å; Y24-Q28 WeakPolarHBondContact O-CG 3.41Å; Y24-Q28 PolarHBondContact O-N 3.39Å; Y24-Q28 PolarHBondContact OH-NE2 3.36Å |
| 25 | E | 78.8 | Confident | 72.5 | Confident | 140 Ų | 140 | 102.3 Ų | 102.3 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.2 | -39.1 | 178.5 | -167 | 172.3 | -163.1 | 0 | 0 | 111.9 | R22 Q28 A29 | R22-E25 PolarHBondContact O-N 3.38Å; E25-Q28 PolarHBondContact O-N 2.93Å; E25-A29 VanDerWaalsContact O-CB 3.27Å; E25-A29 WeakPolarHBondContact O-CB 3.32Å; E25-A29 PolarHBondContact O-N 2.89Å |
| 26 | E | 79.3 | Confident | 72.4 | Confident | 129 Ų | 129 | 103.8 Ų | 103.8 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 175.2 | -170.1 | 174 | 179.5 | 0 | 0 | 111.8 | R22 E23 A29 V30 | R22-E26 PolarHBondContact O-N 3.32Å; R22-E26 VanDerWaalsContact O-N 3.15Å; E23-E26 PolarHBondContact O-N 3.48Å; E26-A29 PolarHBondContact O-N 3.44Å; E26-V30 VanDerWaalsContact O-CG2 3.31Å; E26-V30 WeakPolarHBondContact O-CG2 3.29Å; E26-V30 PolarHBondContact O-N 3.3Å |
| 27 | V | 77.4 | Confident | 72.3 | Confident | 32 Ų | 32 | 102.7 Ų | 102.7 | 19% | 0.194 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 111 | L14 E23 Y24 A29 V30 E31 | L14-V27 HydrophobicContact CD1-CG1 4.16Å; E23-V27 WeakPolarHBondContact O-CB 3.33Å; E23-V27 WeakPolarHBondContact O-CG2 3.19Å; E23-V27 PolarHBondContact O-N 2.75Å; Y24-V27 PolarHBondContact O-N 3.11Å; V27-A29 VanDerWaalsContact C-N 3.34Å; V27-A29 PolarHBondContact O-N 2.86Å; V27-V30 PolarHBondContact O-N 3.39Å; V27-E31 WeakPolarHBondContact O-CB 3.49Å; V27-E31 PolarHBondContact O-N 2.87Å |
| 28 | Q | 76.9 | Confident | 72.1 | Confident | 34 Ų | 34 | 103.4 Ų | 103.4 | 16% | 0.159 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 175 | -80 | -73.8 | -1.3 | 0 | 0 | 112.5 | Y24 E25 E31 R32 | Y24-Q28 HydrophobicContact CD1-CG 4.02Å; Y24-Q28 HydrophobicContact CE1-CG 3.67Å; Y24-Q28 WeakPolarHBondContact O-CB 3.41Å; Y24-Q28 WeakPolarHBondContact O-CG 3.41Å; Y24-Q28 PolarHBondContact O-N 3.39Å; Y24-Q28 PolarHBondContact OH-NE2 3.36Å; E25-Q28 PolarHBondContact O-N 2.93Å; Q28-E31 PolarHBondContact O-N 3.43Å; Q28-R32 WeakPolarHBondContact O-CB 3.4Å; Q28-R32 VanDerWaalsContact O-CG 3.31Å; Q28-R32 WeakPolarHBondContact O-CG 3.16Å; Q28-R32 PolarHBondContact O-N 3.37Å |
| 29 | A | 82.1 | Confident | 72 | Confident | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E25 E26 V27 K33 | E25-A29 VanDerWaalsContact O-CB 3.27Å; E25-A29 WeakPolarHBondContact O-CB 3.32Å; E25-A29 PolarHBondContact O-N 2.89Å; E26-A29 PolarHBondContact O-N 3.44Å; V27-A29 VanDerWaalsContact C-N 3.34Å; V27-A29 PolarHBondContact O-N 2.86Å; A29-K33 VanDerWaalsContact O-CB 3.27Å; A29-K33 WeakPolarHBondContact O-CB 3.28Å; A29-K33 PolarHBondContact O-N 3.45Å |
| 30 | V | 80.1 | Confident | 71.9 | Confident | 77 Ų | 77 | 97.9 Ų | 97.9 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.5 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | E26 V27 K33 W34 | E26-V30 VanDerWaalsContact O-CG2 3.31Å; E26-V30 WeakPolarHBondContact O-CG2 3.29Å; E26-V30 PolarHBondContact O-N 3.3Å; V27-V30 PolarHBondContact O-N 3.39Å; V30-K33 PolarHBondContact O-N 2.84Å; V30-W34 VanDerWaalsContact O-CB 3.31Å; V30-W34 WeakPolarHBondContact O-CB 3Å; V30-W34 PolarHBondContact O-N 2.76Å |
| 31 | E | 76.4 | Confident | 71.9 | Confident | 75 Ų | 75 | 95.2 Ų | 95.2 | 35% | 0.35 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 176.7 | -177.1 | 169.1 | -165 | 0 | 0 | 111.5 | V27 Q28 K33 W34 H35 | V27-E31 WeakPolarHBondContact O-CB 3.49Å; V27-E31 PolarHBondContact O-N 2.87Å; Q28-E31 PolarHBondContact O-N 3.43Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 PolarHBondContact O-N 3.49Å; E31-W34 WeakPolarHBondContact O-CB 3.46Å; E31-W34 PolarHBondContact O-N 3.38Å; E31-H35 WeakPolarHBondContact CG-CE1 3.21Å; E31-H35 WeakPolarHBondContact CG-ND1 2.96Å; E31-H35 PolarHBondContact O-N 3.19Å; E31-H35 PolarHBondContact O-ND1 2.88Å; E31-H35 IonicContact OE1-CE1 3.49Å; E31-H35 PolarHBondContact OE1-CE1 3.46Å |
| 32 | R | 79.8 | Confident | 71.6 | Confident | 151 Ų | 151 | 101.1 Ų | 101.1 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60 | -43 | 175.4 | -72.6 | -177.2 | -173.1 | 107.4 | 3.3 | 111.8 | Q28 W34 H35 L36 | Q28-R32 WeakPolarHBondContact O-CB 3.4Å; Q28-R32 VanDerWaalsContact O-CG 3.31Å; Q28-R32 WeakPolarHBondContact O-CG 3.16Å; Q28-R32 PolarHBondContact O-N 3.37Å; R32-W34 VanDerWaalsContact C-N 3.32Å; R32-W34 PolarHBondContact O-N 2.87Å; R32-H35 PolarHBondContact O-N 2.85Å; R32-L36 WeakPolarHBondContact O-CB 3.27Å; R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.46Å; R32-L36 PolarHBondContact O-N 3.3Å |
| 33 | K | 78.7 | Confident | 71.3 | Confident | 153 Ų | 153 | 100.4 Ų | 100.4 | 67% | 0.665 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 176.4 | -171 | 165.4 | 80.3 | 179.8 | 0 | 111.7 | A29 V30 E31 L36 H37 | A29-K33 VanDerWaalsContact O-CB 3.27Å; A29-K33 WeakPolarHBondContact O-CB 3.28Å; A29-K33 PolarHBondContact O-N 3.45Å; V30-K33 PolarHBondContact O-N 2.84Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 PolarHBondContact O-N 3.49Å; K33-L36 PolarHBondContact O-N 2.83Å; K33-H37 VanDerWaalsContact O-CB 3.27Å; K33-H37 WeakPolarHBondContact O-CB 3.31Å; K33-H37 PolarHBondContact O-N 3.28Å |
| 34 | W | 74.3 | Confident | 71 | Confident | 142 Ų | 142 | 100.2 Ų | 100.2 | 54% | 0.538 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.6 | -165.3 | 74.6 | 0 | 0 | 0 | 111.7 | V30 E31 R32 H37 L38 | V30-W34 VanDerWaalsContact O-CB 3.31Å; V30-W34 WeakPolarHBondContact O-CB 3Å; V30-W34 PolarHBondContact O-N 2.76Å; E31-W34 WeakPolarHBondContact O-CB 3.46Å; E31-W34 PolarHBondContact O-N 3.38Å; R32-W34 VanDerWaalsContact C-N 3.32Å; R32-W34 PolarHBondContact O-N 2.87Å; W34-H37 PolarHBondContact O-N 2.94Å; W34-L38 HydrophobicContact CD2-CD1 3.51Å; W34-L38 HydrophobicContact CD2-CG 4.45Å; W34-L38 HydrophobicContact CE3-CD1 3.63Å; W34-L38 HydrophobicContact CG-CD1 4.3Å; W34-L38 HydrophobicContact CH2-CD1 3.45Å; W34-L38 VanDerWaalsContact CH2-CD1 3.45Å; W34-L38 HydrophobicContact CZ2-CD1 3.32Å; W34-L38 HydrophobicContact CZ3-CD1 3.59Å; W34-L38 WeakPolarHBondContact O-CB 3.42Å; W34-L38 WeakPolarHBondContact O-CG 3.41Å; W34-L38 PolarHBondContact O-N 3.45Å |
| 35 | H | 72.1 | Confident | 70.3 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 174.3 | -76.3 | 90.9 | 0 | 0 | 0 | 112 | E31 R32 L38 A39 | E31-H35 WeakPolarHBondContact CG-CE1 3.21Å; E31-H35 WeakPolarHBondContact CG-ND1 2.96Å; E31-H35 PolarHBondContact O-N 3.19Å; E31-H35 PolarHBondContact O-ND1 2.88Å; E31-H35 IonicContact OE1-CE1 3.49Å; E31-H35 PolarHBondContact OE1-CE1 3.46Å; R32-H35 PolarHBondContact O-N 2.85Å; H35-L38 PolarHBondContact O-N 3.38Å; H35-A39 WeakPolarHBondContact O-CA 3.27Å; H35-A39 WeakPolarHBondContact O-CB 3.27Å; H35-A39 PolarHBondContact O-N 3.47Å |
| 36 | L | 71 | Confident | 69.2 | Low | 119 Ų | 119 | 101.8 Ų | 101.8 | 62% | 0.623 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 175.1 | -70.3 | 169.4 | 0 | 0 | 0 | 111.4 | R32 K33 L38 T40 | R32-L36 WeakPolarHBondContact O-CB 3.27Å; R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.46Å; R32-L36 PolarHBondContact O-N 3.3Å; K33-L36 PolarHBondContact O-N 2.83Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 3.46Å; L36-T40 WeakPolarHBondContact O-CB 3.39Å; L36-T40 PolarHBondContact O-N 3.06Å; L36-T40 VanDerWaalsContact O-N 3.11Å; L36-T40 PolarHBondContact O-OG1 2.78Å |
| 37 | H | 70 | Confident | 68.2 | Low | 143 Ų | 143 | 101.1 Ų | 101.1 | 66% | 0.662 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.9 | -30 | 179.9 | -169.5 | -81 | 0 | 0 | 0 | 113.1 | K33 W34 P41 | K33-H37 VanDerWaalsContact O-CB 3.27Å; K33-H37 WeakPolarHBondContact O-CB 3.31Å; K33-H37 PolarHBondContact O-N 3.28Å; W34-H37 PolarHBondContact O-N 2.94Å; H37-P41 WeakPolarHBondContact O-CD 3.31Å; H37-P41 WeakPolarHBondContact O-CG 3.49Å |
| 38 | L | 62.3 | Low | 67.2 | Low | 43 Ų | 43 | 109.1 Ų | 109.1 | 23% | 0.225 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -91.5 | -33.5 | 177.1 | -73.6 | 175.6 | 0 | 0 | 0 | 113.9 | W34 H35 L36 R42 | W34-L38 HydrophobicContact CD2-CD1 3.51Å; W34-L38 HydrophobicContact CD2-CG 4.45Å; W34-L38 HydrophobicContact CE3-CD1 3.63Å; W34-L38 HydrophobicContact CG-CD1 4.3Å; W34-L38 HydrophobicContact CH2-CD1 3.45Å; W34-L38 VanDerWaalsContact CH2-CD1 3.45Å; W34-L38 HydrophobicContact CZ2-CD1 3.32Å; W34-L38 HydrophobicContact CZ3-CD1 3.59Å; W34-L38 WeakPolarHBondContact O-CB 3.42Å; W34-L38 WeakPolarHBondContact O-CG 3.41Å; W34-L38 PolarHBondContact O-N 3.45Å; H35-L38 PolarHBondContact O-N 3.38Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 3.46Å; L38-R42 VanDerWaalsContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CB 3.45Å; L38-R42 WeakPolarHBondContact O-CD 3.33Å; L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.01Å |
| 39 | A | 61.1 | Low | 66.2 | Low | 42 Ų | 42 | 116.5 Ų | 116.5 | 35% | 0.347 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73 | -36.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H35 R42 R43 | H35-A39 WeakPolarHBondContact O-CA 3.27Å; H35-A39 WeakPolarHBondContact O-CB 3.27Å; H35-A39 PolarHBondContact O-N 3.47Å; A39-R42 PolarHBondContact O-N 2.9Å; A39-R43 WeakPolarHBondContact O-CB 3.26Å; A39-R43 WeakPolarHBondContact O-CG 3.31Å; A39-R43 PolarHBondContact O-N 3.15Å |
| 40 | T | 60 | Low | 65 | Low | 79 Ų | 79 | 116.9 Ų | 116.9 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -53.6 | -179.5 | -52.1 | 0 | 0 | 0 | 0 | 112.7 | L36 R42 R43 L44 | L36-T40 WeakPolarHBondContact O-CB 3.39Å; L36-T40 PolarHBondContact O-N 3.06Å; L36-T40 VanDerWaalsContact O-N 3.11Å; L36-T40 PolarHBondContact O-OG1 2.78Å; T40-R42 PolarHBondContact O-N 3.49Å; T40-R43 PolarHBondContact O-N 2.87Å; T40-L44 HydrophobicContact CG2-CD1 4.43Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.88Å |
| 41 | P | 60 | Low | 63.9 | Low | 59 Ų | 59 | 122.4 Ų | 122.4 | 38% | 0.383 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.8 | -33.1 | 175.7 | 26.9 | -34.1 | 0 | 0 | 0 | 112.3 | H37 L44 L45 | H37-P41 WeakPolarHBondContact O-CD 3.31Å; H37-P41 WeakPolarHBondContact O-CG 3.49Å; P41-L44 PolarHBondContact O-N 2.93Å; P41-L45 WeakPolarHBondContact O-CB 3.21Å; P41-L45 WeakPolarHBondContact O-CG 3.4Å; P41-L45 PolarHBondContact O-N 3.11Å |
| 42 | R | 58.7 | Low | 62.8 | Low | 161 Ų | 161 | 121.9 Ų | 121.9 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.9 | -39.1 | 177.7 | -78.3 | 178.1 | 171 | 144.5 | -0.6 | 112.7 | L38 A39 T40 L46 | L38-R42 VanDerWaalsContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CB 3.45Å; L38-R42 WeakPolarHBondContact O-CD 3.33Å; L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.01Å; A39-R42 PolarHBondContact O-N 2.9Å; T40-R42 PolarHBondContact O-N 3.49Å; R42-L46 WeakPolarHBondContact O-CB 3.47Å; R42-L46 PolarHBondContact O-N 3.42Å |
| 43 | R | 59.8 | Low | 61.6 | Low | 195 Ų | 195 | 118.8 Ų | 118.8 | 74% | 0.736 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.1 | -44.9 | 175.3 | -77.6 | -173.8 | 173.1 | -162.8 | -1.5 | 111.6 | A39 T40 L45 L46 D47 | A39-R43 WeakPolarHBondContact O-CB 3.26Å; A39-R43 WeakPolarHBondContact O-CG 3.31Å; A39-R43 PolarHBondContact O-N 3.15Å; T40-R43 PolarHBondContact O-N 2.87Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.06Å; R43-L46 PolarHBondContact O-N 2.95Å; R43-D47 PolarHBondContact O-N 2.67Å |
| 44 | L | 59.2 | Low | 60.7 | Low | 116 Ų | 116 | 118.7 Ų | 118.7 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.3 | -36.5 | 176.3 | -66.4 | 172.5 | 0 | 0 | 0 | 112.6 | T40 P41 R48 | T40-L44 HydrophobicContact CG2-CD1 4.43Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.88Å; P41-L44 PolarHBondContact O-N 2.93Å; L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 PolarHBondContact O-N 2.74Å; L44-R48 VanDerWaalsContact O-N 3.09Å |
| 45 | L | 57.5 | Low | 59.9 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 60% | 0.597 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.2 | -36 | 174.2 | -73.4 | 171.7 | 0 | 0 | 0 | 112.5 | P41 R43 R49 | P41-L45 WeakPolarHBondContact O-CB 3.21Å; P41-L45 WeakPolarHBondContact O-CG 3.4Å; P41-L45 PolarHBondContact O-N 3.11Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.06Å; L45-R49 VanDerWaalsContact O-CB 3.29Å; L45-R49 WeakPolarHBondContact O-CB 3.43Å; L45-R49 PolarHBondContact O-N 3.41Å |
| 46 | L | 57.5 | Low | 59.1 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 67% | 0.665 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.6 | -40 | 176.4 | -133 | 70.7 | 0 | 0 | 0 | 111.6 | R42 R43 R49 A50 | R42-L46 WeakPolarHBondContact O-CB 3.47Å; R42-L46 PolarHBondContact O-N 3.42Å; R43-L46 PolarHBondContact O-N 2.95Å; L46-R49 CarbonylContact O-C 3.59Å; L46-R49 PolarHBondContact O-N 3.02Å; L46-A50 PolarHBondContact O-N 3.35Å |
| 47 | D | 57.8 | Low | 59.1 | Low | 116 Ų | 116 | 123.5 Ų | 123.5 | 62% | 0.62 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.5 | -41.3 | 175.6 | -116.6 | -22.6 | 0 | 0 | 0 | 111.9 | R43 R49 A50 K51 | R43-D47 PolarHBondContact O-N 2.67Å; D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 3.28Å; D47-A50 PolarHBondContact O-N 3.47Å; D47-K51 PolarHBondContact O-N 3.34Å |
| 48 | R | 57 | Low | 59.2 | Low | 199 Ų | 199 | 120.3 Ų | 120.3 | 75% | 0.751 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.9 | -33.7 | 173.6 | -165.2 | 177 | -175.2 | -158.7 | 1.3 | 112 | L44 A52 | L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 PolarHBondContact O-N 2.74Å; L44-R48 VanDerWaalsContact O-N 3.09Å; R48-A52 WeakPolarHBondContact O-CB 3.31Å; R48-A52 PolarHBondContact O-N 3.28Å; R48-A52 VanDerWaalsContact O-N 3.13Å |
| 49 | R | 55.1 | Low | 59.8 | Low | 190 Ų | 190 | 123.4 Ų | 123.4 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.1 | -28.7 | 176.7 | -161.7 | 171.3 | -168.7 | -109.1 | 0.8 | 112.7 | L45 L46 D47 A52 S53 | L45-R49 VanDerWaalsContact O-CB 3.29Å; L45-R49 WeakPolarHBondContact O-CB 3.43Å; L45-R49 PolarHBondContact O-N 3.41Å; L46-R49 CarbonylContact O-C 3.59Å; L46-R49 PolarHBondContact O-N 3.02Å; D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 3.28Å; R49-A52 PolarHBondContact O-N 2.89Å; R49-S53 PolarHBondContact O-N 3.19Å |
| 50 | A | 57.7 | Low | 60.5 | Low | 59 Ų | 59 | 126.7 Ų | 126.7 | 49% | 0.488 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -68.6 | -39.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L46 D47 A52 S53 | L46-A50 PolarHBondContact O-N 3.35Å; D47-A50 PolarHBondContact O-N 3.47Å; A50-A52 VanDerWaalsContact C-N 3.35Å; A50-S53 WeakPolarHBondContact O-CB 3.41Å; A50-S53 PolarHBondContact O-N 3.05Å; A50-S53 PolarHBondContact O-OG 3.09Å |
| 51 | K | 55.7 | Low | 61.1 | Low | 194 Ų | 194 | 128.3 Ų | 128.3 | 84% | 0.843 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.4 | -22.4 | 172.9 | -91.6 | 172.7 | 173.5 | 166.9 | 0 | 114.5 | D47 | D47-K51 PolarHBondContact O-N 3.34Å |
| 52 | A | 54.5 | Low | 62 | Low | 64 Ų | 64 | 131.1 Ų | 131.1 | 53% | 0.529 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | -3.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R48 R49 A50 L54 F55 | R48-A52 WeakPolarHBondContact O-CB 3.31Å; R48-A52 PolarHBondContact O-N 3.28Å; R48-A52 VanDerWaalsContact O-N 3.13Å; R49-A52 PolarHBondContact O-N 2.89Å; A50-A52 VanDerWaalsContact C-N 3.35Å; A52-L54 PolarHBondContact O-N 2.81Å; A52-F55 PolarHBondContact O-N 3.26Å |
| 53 | S | 54.4 | Low | 62.5 | Low | 86 Ų | 86 | 133.3 Ų | 133.3 | 60% | 0.601 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -2.8 | -173.4 | 69.6 | 0 | 0 | 0 | 0 | 115.1 | R49 A50 F55 | R49-S53 PolarHBondContact O-N 3.19Å; A50-S53 WeakPolarHBondContact O-CB 3.41Å; A50-S53 PolarHBondContact O-N 3.05Å; A50-S53 PolarHBondContact O-OG 3.09Å; S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 3.49Å |
| 54 | L | 58.4 | Low | 62.7 | Low | 150 Ų | 150 | 135.6 Ų | 135.6 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -14.3 | 172.6 | -73.5 | 178.6 | 0 | 0 | 0 | 113.9 | A52 | A52-L54 PolarHBondContact O-N 2.81Š|
| 55 | F | 58.9 | Low | 63.2 | Low | 174 Ų | 174 | 133.6 Ų | 133.6 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -144.2 | 124 | 173 | -75.7 | -81.9 | 0 | 0 | 0 | 112 | A52 S53 | A52-F55 PolarHBondContact O-N 3.26Å; S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 3.49Å |
| 56 | F | 55.5 | Low | 63.5 | Low | 192 Ų | 192 | 134 Ų | 134 | 84% | 0.842 | 72% | 0.72 | S | S | * | * | trans | 80.5 | 75.5 | -177.8 | -60.9 | -79.7 | 0 | 0 | 0 | 116.1 | A58 | F56-A58 PolarHBondContact O-N 3.14Š| ||
| 57 | A | 70.4 | Confident | 63.7 | Low | 90 Ų | 90 | 132.5 Ų | 132.5 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 130.8 | 133.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 58 | A | 72.8 | Confident | 63.8 | Low | 77 Ų | 77 | 133.5 Ų | 133.5 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 137.9 | 173 | 0 | 0 | 0 | 0 | 0 | 108.4 | F56 | F56-A58 PolarHBondContact O-N 3.14Š|
| 59 | P | 73.4 | Confident | 63.8 | Low | 108 Ų | 108 | 128.5 Ų | 128.5 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 131.9 | 177.5 | 21.3 | -31.4 | 0 | 0 | 0 | 107.9 | ||
| 60 | P | 76.8 | Confident | 63.9 | Low | 111 Ų | 111 | 125.6 Ų | 125.6 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 137.6 | -178.8 | 22.1 | -32.3 | 0 | 0 | 0 | 108.2 | ||
| 61 | P | 72.6 | Confident | 64 | Low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 133.6 | 178.3 | 22.3 | -32.3 | 0 | 0 | 0 | 108 | K63 | P61-K63 PolarHBondContact O-N 3.26Å; P61-K63 VanDerWaalsContact O-N 3.11Å |
| 62 | P | 77.6 | Confident | 64 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 126.9 | -175.3 | 20.8 | -31.9 | 0 | 0 | 0 | 108.4 | R64 | P62-R64 PolarHBondContact O-N 2.96Š|
| 63 | K | 69.6 | Low | 64.1 | Low | 208 Ų | 208 | 132.6 Ų | 132.6 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | trans | -54.2 | 109.5 | 175 | -69 | -178.8 | 178.9 | 178.4 | 0 | 106 | P61 A65 | P61-K63 PolarHBondContact O-N 3.26Å; P61-K63 VanDerWaalsContact O-N 3.11Å; K63-A65 PolarHBondContact O-N 3.04Å | ||
| 64 | R | 64.3 | Low | 64.2 | Low | 243 Ų | 243 | 133.1 Ų | 133.1 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | trans | -56.4 | 106.8 | 172.5 | -72.6 | -179.9 | 178.7 | 165.3 | -1.2 | 105.5 | P62 | P62-R64 PolarHBondContact O-N 2.96Š| ||
| 65 | A | 68.9 | Low | 64.4 | Low | 73 Ų | 73 | 135.7 Ų | 135.7 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | trans | -55.6 | 138.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | K63 S67 | K63-A65 PolarHBondContact O-N 3.04Å; A65-S67 PolarHBondContact O-N 3.4Å | ||
| 66 | P | 64.2 | Low | 64.5 | Low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -68.5 | 77.3 | 166.2 | 30 | -32.4 | 0 | 0 | 0 | 107.8 | ||
| 67 | S | 63 | Low | 64.6 | Low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | trans | -145.6 | 48 | 175.6 | -173 | 0 | 0 | 0 | 0 | 110.4 | A65 | A65-S67 PolarHBondContact O-N 3.4Š| ||
| 68 | T | 59.2 | Low | 63.9 | Low | 136 Ų | 136 | 131.8 Ų | 131.8 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | -146.3 | 53.2 | 139.1 | 59.7 | 0 | 0 | 0 | 0 | 107.4 | L70 | T68-L70 PolarHBondContact O-N 2.65Š| ||
| 69 | T | 57.5 | Low | 63.1 | Low | 94 Ų | 94 | 132.3 Ų | 132.3 | 58% | 0.577 | 74% | 0.741 | S | S | * | * | trans | -68.2 | 93.4 | 160 | -48.6 | 0 | 0 | 0 | 0 | 105.6 | T71 | T69-T71 HydrophobicContact CG2-CG2 3.55Å; T69-T71 WeakPolarHBondContact CG2-OG1 3.4Å; T69-T71 PolarHBondContact O-N 2.93Å; T69-T71 PolarHBondContact O-OG1 3.4Å | ||
| 70 | L | 55.8 | Low | 62.2 | Low | 130 Ų | 130 | 133.7 Ų | 133.7 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | trans | -67.9 | 68.9 | 168.2 | -165.1 | 168.3 | 0 | 0 | 0 | 107.5 | T68 R73 | T68-L70 PolarHBondContact O-N 2.65Å; L70-R73 HydrophobicContact CD2-CB 3.84Å | ||
| 71 | T | 60 | Low | 61.2 | Low | 95 Ų | 95 | 134.2 Ų | 134.2 | 58% | 0.583 | 73% | 0.734 | S | S | * | * | trans | -110.2 | 2.7 | 177.7 | 30.6 | 0 | 0 | 0 | 0 | 113.3 | T69 | T69-T71 HydrophobicContact CG2-CG2 3.55Å; T69-T71 WeakPolarHBondContact CG2-OG1 3.4Å; T69-T71 PolarHBondContact O-N 2.93Å; T69-T71 PolarHBondContact O-OG1 3.4Å | ||
| 72 | L | 56.6 | Low | 60.6 | Low | 176 Ų | 176 | 137.1 Ų | 137.1 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -120.2 | 28.3 | 174.9 | -61.1 | -179.3 | 0 | 0 | 0 | 113.1 | ||
| 73 | R | 55.5 | Low | 59.7 | Low | 193 Ų | 193 | 138.4 Ų | 138.4 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -125.6 | 13.7 | 166.3 | -153.9 | -168 | 165.8 | 91.1 | 1.8 | 112.9 | L70 K75 | L70-R73 HydrophobicContact CD2-CB 3.84Å; R73-K75 VanDerWaalsContact C-N 3.31Å; R73-K75 PolarHBondContact O-N 3.2Å |
| 74 | S | 57.7 | Low | 59 | Low | 96 Ų | 96 | 133.3 Ų | 133.3 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -90.6 | 12.3 | -178.9 | -42.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 75 | K | 63.1 | Low | 58.8 | Low | 205 Ų | 205 | 129 Ų | 129 | 89% | 0.891 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -144.1 | 81 | 175.3 | -75.8 | -174.5 | 173.9 | -177.7 | 0 | 110.5 | R73 | R73-K75 VanDerWaalsContact C-N 3.31Å; R73-K75 PolarHBondContact O-N 3.2Å |
| 76 | S | 60.6 | Low | 58.4 | Low | 69 Ų | 69 | 132.9 Ų | 132.9 | 48% | 0.483 | 71% | 0.71 | S | S | . | * | trans | -167.3 | 41.7 | 165.3 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 77 | M | 56.6 | Low | 58 | Low | 176 Ų | 176 | 131.5 Ų | 131.5 | 87% | 0.867 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -110.8 | -9.2 | 176.9 | -157.1 | 175.9 | 71 | 0 | 0 | 113.7 | ||
| 78 | T | 57 | Low | 58 | Low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -130.7 | 5.5 | -175 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 79 | A | 55.1 | Low | 58 | Low | 88 Ų | 88 | 133.1 Ų | 133.1 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -109.7 | 3.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 80 | E | 53.7 | Low | 58.1 | Low | 136 Ų | 136 | 134.3 Ų | 134.3 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -117.3 | 7.2 | -179.4 | -66.5 | -164.8 | -176.3 | 0 | 0 | 114 | ||
| 81 | L | 56.7 | Low | 58.2 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -82.4 | -17.8 | 179.5 | -66.9 | -174.6 | 0 | 0 | 0 | 114.1 | L84 | L81-L84 HydrophobicContact CD2-CD1 4.18Å |
| 82 | E | 60 | Low | 58.1 | Low | 173 Ų | 173 | 132.6 Ų | 132.6 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -83.1 | -13.4 | 178 | -69.3 | 176.1 | 173.7 | 0 | 0 | 113.4 | ||
| 83 | E | 58.9 | Low | 58 | Low | 146 Ų | 146 | 130.4 Ų | 130.4 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -91.3 | -19 | 175.9 | -80.3 | -175.8 | 156.9 | 0 | 0 | 113.6 | ||
| 84 | L | 55.6 | Low | 57.7 | Low | 100 Ų | 100 | 124.5 Ų | 124.5 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -75.3 | -30.5 | 179.9 | -72.2 | 175.4 | 0 | 0 | 0 | 113.4 | L81 K86 L87 | L81-L84 HydrophobicContact CD2-CD1 4.18Å; L84-K86 PolarHBondContact O-N 3.44Å; L84-L87 HydrophobicContact CD2-CD1 4.46Å; L84-L87 PolarHBondContact O-N 3.15Å; L84-L87 VanDerWaalsContact O-N 3.16Å |
| 85 | E | 59.2 | Low | 57.5 | Low | 153 Ų | 153 | 123.4 Ų | 123.4 | 72% | 0.715 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65.2 | -23.2 | 179.6 | -68.8 | -176.6 | 166.7 | 0 | 0 | 113.1 | ||
| 86 | K | 59.7 | Low | 56.7 | Low | 155 Ų | 155 | 121.2 Ų | 121.2 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.8 | -19.3 | 176.8 | -71.2 | 176.4 | -179.5 | 171.4 | 0 | 113.8 | L84 | L84-K86 PolarHBondContact O-N 3.44Å |
| 87 | L | 57 | Low | 55.9 | Low | 94 Ų | 94 | 123.2 Ų | 123.2 | 49% | 0.492 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -82.6 | -26.8 | 178.9 | -66 | -176 | 0 | 0 | 0 | 112.5 | L84 E89 I90 L91 | L84-L87 HydrophobicContact CD2-CD1 4.46Å; L84-L87 PolarHBondContact O-N 3.15Å; L84-L87 VanDerWaalsContact O-N 3.16Å; L87-E89 VanDerWaalsContact C-N 3.35Å; L87-E89 PolarHBondContact O-N 3.44Å; L87-I90 PolarHBondContact O-N 3.14Å; L87-L91 PolarHBondContact O-N 3.25Å |
| 88 | D | 62 | Low | 55.6 | Low | 113 Ų | 113 | 120.1 Ų | 120.1 | 60% | 0.604 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.2 | -31.6 | 179.6 | -83.1 | -15 | 0 | 0 | 0 | 112.7 | L91 A92 | D88-L91 PolarHBondContact O-N 3.46Å; D88-A92 WeakPolarHBondContact O-CB 3.35Å; D88-A92 PolarHBondContact O-N 3.38Å |
| 89 | E | 59.1 | Low | 55.4 | Low | 152 Ų | 152 | 121.7 Ų | 121.7 | 71% | 0.71 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.7 | -35.1 | 172 | -83.5 | -174.7 | 160.7 | 0 | 0 | 112.7 | L87 V93 | L87-E89 VanDerWaalsContact C-N 3.35Å; L87-E89 PolarHBondContact O-N 3.44Å; E89-V93 WeakPolarHBondContact O-CG2 3.09Å; E89-V93 PolarHBondContact O-N 2.94Å |
| 90 | I | 59.9 | Low | 55.1 | Low | 119 Ų | 119 | 128.4 Ų | 128.4 | 61% | 0.61 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.2 | -35.6 | 179.1 | -58.7 | 174.4 | 0 | 0 | 0 | 110.5 | L87 V93 A94 | L87-I90 PolarHBondContact O-N 3.14Å; I90-V93 PolarHBondContact O-N 3.13Å; I90-A94 PolarHBondContact O-N 2.87Å |
| 91 | L | 58.9 | Low | 55 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 60% | 0.597 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72 | -33.4 | 176.4 | -79.6 | 166.3 | 0 | 0 | 0 | 112.7 | L87 D88 V93 A94 A95 | L87-L91 PolarHBondContact O-N 3.25Å; D88-L91 PolarHBondContact O-N 3.46Å; L91-V93 PolarHBondContact O-N 3.23Å; L91-A94 PolarHBondContact O-N 3.26Å; L91-A95 PolarHBondContact O-N 3.04Å |
| 92 | A | 56.4 | Low | 54.9 | Low | 75 Ų | 75 | 126.9 Ų | 126.9 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65 | -28.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D88 | D88-A92 WeakPolarHBondContact O-CB 3.35Å; D88-A92 PolarHBondContact O-N 3.38Å |
| 93 | V | 54.5 | Low | 54.6 | Low | 131 Ų | 131 | 125.8 Ų | 125.8 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.3 | -23.3 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | E89 I90 L91 | E89-V93 WeakPolarHBondContact O-CG2 3.09Å; E89-V93 PolarHBondContact O-N 2.94Å; I90-V93 PolarHBondContact O-N 3.13Å; L91-V93 PolarHBondContact O-N 3.23Å |
| 94 | A | 50.2 | Low | 54.4 | Low | 68 Ų | 68 | 122.9 Ų | 122.9 | 56% | 0.562 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -89.5 | -1.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I90 L91 E96 | I90-A94 PolarHBondContact O-N 2.87Å; L91-A94 PolarHBondContact O-N 3.26Å; A94-E96 VanDerWaalsContact C-N 3.28Å; A94-E96 PolarHBondContact O-N 2.87Å |
| 95 | A | 54.2 | Low | 54.2 | Low | 74 Ų | 74 | 123.5 Ų | 123.5 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | trans | -81.3 | 61.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L91 | L91-A95 PolarHBondContact O-N 3.04Š| ||
| 96 | E | 45.5 | Very low | 53.9 | Low | 159 Ų | 159 | 119.8 Ų | 119.8 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | trans | -166.3 | 99.7 | 153.1 | -91.2 | -50.6 | 148.9 | 0 | 0 | 106 | A94 | A94-E96 VanDerWaalsContact C-N 3.28Å; A94-E96 PolarHBondContact O-N 2.87Å | ||
| 97 | P | 43.4 | Very low | 53.7 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | -150 | 129.5 | 96.4 | 32.3 | -12.1 | 0 | 0 | 0 | 114.2 | |||||
| 98 | T | 51.2 | Low | 53.5 | Low | 111 Ų | 111 | 119.4 Ų | 119.4 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | 9.2 | 116.7 | 126 | -57 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 99 | L | 52.3 | Low | 53.1 | Low | 162 Ų | 162 | 124.8 Ų | 124.8 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | 169.4 | 126.4 | 124.8 | -83.8 | 177.7 | 0 | 0 | 0 | 110.9 | |||||
| 100 | R | 48.4 | Very low | 53.3 | Low | 230 Ų | 230 | 121.1 Ų | 121.1 | 87% | 0.868 | 70% | 0.695 | S | S | * | * | trans | -40 | 132.3 | 170.3 | -93.7 | -91.1 | 161.5 | 155.2 | -8.2 | 114.4 | D102 | R100-D102 PolarHBondContact O-N 3.43Š| ||
| 101 | P | 52.7 | Low | 53.5 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | trans | -81.9 | 112.9 | 153.8 | 29.3 | -26.8 | 0 | 0 | 0 | 109.8 | ||||
| 102 | D | 53.3 | Low | 53.9 | Low | 123 Ų | 123 | 120.7 Ų | 120.7 | 66% | 0.658 | 71% | 0.711 | S | S | * | * | trans | -66.5 | 128.7 | 169.4 | -179.9 | 22.8 | 0 | 0 | 0 | 110.6 | R100 A104 | R100-D102 PolarHBondContact O-N 3.43Å; D102-A104 PolarHBondContact O-N 2.92Å | ||
| 103 | I | 54.4 | Low | 54.4 | Low | 150 Ų | 150 | 123.1 Ų | 123.1 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 14.5 | -15 | 159.1 | -50.7 | 173 | 0 | 0 | 0 | 121.2 | D105 | I103-D105 VanDerWaalsContact C-N 3.25Å; I103-D105 PolarHBondContact O-N 3.43Å |
| 104 | A | 54.6 | Low | 55.3 | Low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -66.3 | -15 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | D102 A106 | D102-A104 PolarHBondContact O-N 2.92Å; A104-A106 PolarHBondContact O-N 3.07Å |
| 105 | D | 51.7 | Low | 55.8 | Low | 114 Ų | 114 | 130 Ų | 130 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -71.6 | -13.1 | 178.7 | -103.3 | -48.5 | 0 | 0 | 0 | 114.2 | I103 | I103-D105 VanDerWaalsContact C-N 3.25Å; I103-D105 PolarHBondContact O-N 3.43Å |
| 106 | A | 51.8 | Low | 56.5 | Low | 75 Ų | 75 | 133 Ų | 133 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -71.3 | -34 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A104 | A104-A106 PolarHBondContact O-N 3.07Š|
| 107 | D | 55.8 | Low | 57.5 | Low | 143 Ų | 143 | 129.5 Ų | 129.5 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -12.9 | -177.3 | -71.8 | -33.4 | 0 | 0 | 0 | 113.4 | R109 A110 | D107-R109 VanDerWaalsContact C-N 3.26Å; D107-R109 PolarHBondContact O-N 3.45Å; D107-A110 WeakPolarHBondContact O-CB 3.24Å; D107-A110 PolarHBondContact O-N 3.11Å |
| 108 | S | 53.1 | Low | 58.5 | Low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -18.3 | 175.2 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | A110 | S108-A110 VanDerWaalsContact C-N 3.26Å; S108-A110 PolarHBondContact O-N 3.3Å |
| 109 | R | 54.3 | Low | 59.1 | Low | 227 Ų | 227 | 128.6 Ų | 128.6 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 3.7 | 172.7 | -85.8 | -175.9 | 76.5 | -153 | 6.5 | 114.4 | D107 A111 | D107-R109 VanDerWaalsContact C-N 3.26Å; D107-R109 PolarHBondContact O-N 3.45Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 3.3Å |
| 110 | A | 61.8 | Low | 59.7 | Low | 75 Ų | 75 | 129 Ų | 129 | 62% | 0.62 | 70% | 0.701 | S | S | * | * | trans | -65.7 | 94.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D107 S108 T112 | D107-A110 WeakPolarHBondContact O-CB 3.24Å; D107-A110 PolarHBondContact O-N 3.11Å; S108-A110 VanDerWaalsContact C-N 3.26Å; S108-A110 PolarHBondContact O-N 3.3Å; A110-T112 PolarHBondContact O-N 3.35Å | ||
| 111 | A | 64.9 | Low | 61 | Low | 85 Ų | 85 | 125.7 Ų | 125.7 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | trans | -55.7 | 114.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | R109 V113 | R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 3.3Å; A111-V113 PolarHBondContact O-N 3.24Å | ||
| 112 | T | 68.2 | Low | 62.1 | Low | 139 Ų | 139 | 126 Ų | 126 | 85% | 0.853 | 68% | 0.683 | S | S | * | * | trans | -69.2 | 87.3 | 171.7 | 48.9 | 0 | 0 | 0 | 0 | 108.4 | A110 K114 | A110-T112 PolarHBondContact O-N 3.35Å; T112-K114 PolarHBondContact O-N 3.11Å | ||
| 113 | V | 67.1 | Low | 63.5 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 76% | 0.758 | 67% | 0.672 | S | S | * | * | trans | -65.3 | 106.8 | 171.5 | 176.3 | 0 | 0 | 0 | 0 | 106.4 | A111 Q115 | A111-V113 PolarHBondContact O-N 3.24Å; V113-Q115 PolarHBondContact O-N 3.07Å | ||
| 114 | K | 71.4 | Confident | 64.8 | Low | 193 Ų | 193 | 121 Ų | 121 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | trans | -44.4 | 130.8 | 170.7 | -71.2 | -161.4 | 177 | -173.2 | 0 | 108.4 | T112 R116 | T112-K114 PolarHBondContact O-N 3.11Å; K114-R116 PolarHBondContact O-N 3.25Å | ||
| 115 | Q | 62.5 | Low | 66.2 | Low | 152 Ų | 152 | 120.3 Ų | 120.3 | 71% | 0.71 | 66% | 0.66 | S | S | * | * | trans | -48.3 | 107.4 | 179.8 | -177.3 | -179 | -5.7 | 0 | 0 | 108.8 | V113 | V113-Q115 PolarHBondContact O-N 3.07Š| ||
| 116 | R | 68.1 | Low | 67.9 | Low | 136 Ų | 136 | 119.7 Ų | 119.7 | 51% | 0.513 | 65% | 0.654 | S | S | . | * | trans | -59.4 | 131.1 | 173.8 | -166.9 | 178 | -175.7 | 103.9 | -6.8 | 105.8 | K114 T118 R120 | K114-R116 PolarHBondContact O-N 3.25Å; R116-T118 PolarHBondContact O-N 2.86Å; R116-T118 VanDerWaalsContact O-N 3.17Å; R116-R120 HydrophobicContact CG-CB 4.2Å | ||
| 117 | P | 66.6 | Low | 69.6 | Low | 85 Ų | 85 | 119.5 Ų | 119.5 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | trans | -44.7 | 128.1 | 177.9 | -29.8 | 34.7 | 0 | 0 | 0 | 109.6 | S119 R120 | P117-S119 PolarHBondContact O-N 3.24Å; P117-R120 PolarHBondContact O-N 3.34Å | ||
| 118 | T | 64.6 | Low | 71 | Confident | 96 Ų | 96 | 115.7 Ų | 115.7 | 59% | 0.589 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -57.7 | -17.4 | -175.5 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | R116 R120 R121 | R116-T118 PolarHBondContact O-N 2.86Å; R116-T118 VanDerWaalsContact O-N 3.17Å; T118-R120 PolarHBondContact O-N 2.87Å; T118-R120 VanDerWaalsContact O-N 3.13Å; T118-R121 PolarHBondContact O-N 3.17Å |
| 119 | S | 63.6 | Low | 72.6 | Confident | 107 Ų | 107 | 112.8 Ų | 112.8 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -60.5 | -14.5 | 168.7 | 65.4 | 0 | 0 | 0 | 0 | 114.9 | P117 | P117-S119 PolarHBondContact O-N 3.24Š|
| 120 | R | 65.3 | Low | 74.2 | Confident | 170 Ų | 170 | 106.1 Ų | 106.1 | 64% | 0.642 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -106.9 | 2.9 | 172.4 | -69.3 | -172.6 | 177.8 | -177.1 | 0.5 | 113.6 | R116 P117 T118 | R116-R120 HydrophobicContact CG-CB 4.2Å; P117-R120 PolarHBondContact O-N 3.34Å; T118-R120 PolarHBondContact O-N 2.87Å; T118-R120 VanDerWaalsContact O-N 3.13Å |
| 121 | R | 74.4 | Confident | 75.2 | Confident | 160 Ų | 160 | 105.6 Ų | 105.6 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -95.2 | 113.4 | 171.9 | -68.5 | -170.1 | 177.6 | -154.8 | -1.8 | 107 | T118 T123 | T118-R121 PolarHBondContact O-N 3.17Å; R121-T123 PolarHBondContact O-N 2.97Å |
| 122 | I | 76.9 | Confident | 76.2 | Confident | 109 Ų | 109 | 108.8 Ų | 108.8 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | trans | -63.4 | 124 | 177.7 | -52.7 | 175.5 | 0 | 0 | 0 | 107.5 | E126 I127 | I122-E126 VanDerWaalsContact CA-OE2 3.24Å; I122-E126 WeakPolarHBondContact CA-OE2 3.32Å; I122-E126 HydrophobicContact CG2-CB 3.74Å; I122-I127 HydrophobicContact CB-CG1 4.39Å; I122-I127 HydrophobicContact CG2-CD1 4.36Å; I122-I127 HydrophobicContact CG2-CG1 3.56Å | ||
| 123 | T | 82.7 | Confident | 76.8 | Confident | 71 Ų | 71 | 112.1 Ų | 112.1 | 44% | 0.436 | 57% | 0.568 | S | S | . | * | trans | -76.1 | 147.6 | -179.3 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | R121 A125 E126 I127 | R121-T123 PolarHBondContact O-N 2.97Å; T123-A125 HydrophobicContact CG2-CB 4.28Å; T123-A125 PolarHBondContact O-N 3.09Å; T123-A125 VanDerWaalsContact O-N 3.09Å; T123-E126 PolarHBondContact N-OE2 3.01Å; T123-E126 WeakPolarHBondContact O-CA 3.46Å; T123-E126 WeakPolarHBondContact O-CB 3.48Å; T123-E126 PolarHBondContact O-N 3.27Å; T123-I127 PolarHBondContact O-N 3.22Å | ||
| 124 | P | 81.8 | Confident | 77.5 | Confident | 99 Ų | 99 | 111.9 Ų | 111.9 | 64% | 0.643 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -50.7 | -36.6 | 175.3 | -29.8 | 36.3 | 0 | 0 | 0 | 113.8 | I127 S128 | P124-I127 WeakPolarHBondContact O-CB 3.48Å; P124-I127 PolarHBondContact O-N 2.98Å; P124-S128 PolarHBondContact O-N 2.99Å; P124-S128 PolarHBondContact O-OG 3.26Å |
| 125 | A | 84.3 | Confident | 77.4 | Confident | 68 Ų | 68 | 105.9 Ų | 105.9 | 56% | 0.562 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66 | -35.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T123 I127 S128 S129 | T123-A125 HydrophobicContact CG2-CB 4.28Å; T123-A125 PolarHBondContact O-N 3.09Å; T123-A125 VanDerWaalsContact O-N 3.09Å; A125-I127 VanDerWaalsContact C-N 3.34Å; A125-S128 PolarHBondContact O-N 3.16Å; A125-S129 WeakPolarHBondContact O-CB 3.36Å; A125-S129 PolarHBondContact O-N 2.92Å |
| 126 | E | 86.9 | Confident | 77.7 | Confident | 102 Ų | 102 | 103 Ų | 103 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.2 | -37.1 | 174.3 | -66.6 | 170.2 | 170.6 | 0 | 0 | 110.6 | I122 T123 S129 L130 | I122-E126 VanDerWaalsContact CA-OE2 3.24Å; I122-E126 WeakPolarHBondContact CA-OE2 3.32Å; I122-E126 HydrophobicContact CG2-CB 3.74Å; T123-E126 PolarHBondContact N-OE2 3.01Å; T123-E126 WeakPolarHBondContact O-CA 3.46Å; T123-E126 WeakPolarHBondContact O-CB 3.48Å; T123-E126 PolarHBondContact O-N 3.27Å; E126-S129 PolarHBondContact O-N 3.2Å; E126-L130 WeakPolarHBondContact O-CG 3.18Å; E126-L130 PolarHBondContact O-N 2.81Å |
| 127 | I | 86.6 | Confident | 77.3 | Confident | 71 Ų | 71 | 102.2 Ų | 102.2 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -49.1 | 173 | -61.2 | 174.2 | 0 | 0 | 0 | 109.7 | I122 T123 P124 A125 S129 L130 F131 | I122-I127 HydrophobicContact CB-CG1 4.39Å; I122-I127 HydrophobicContact CG2-CD1 4.36Å; I122-I127 HydrophobicContact CG2-CG1 3.56Å; T123-I127 PolarHBondContact O-N 3.22Å; P124-I127 WeakPolarHBondContact O-CB 3.48Å; P124-I127 PolarHBondContact O-N 2.98Å; A125-I127 VanDerWaalsContact C-N 3.34Å; I127-S129 PolarHBondContact O-N 2.8Å; I127-L130 WeakPolarHBondContact O-CB 3.36Å; I127-L130 PolarHBondContact O-N 3.03Å; I127-F131 HydrophobicContact CG2-CD2 3.99Å; I127-F131 HydrophobicContact CG2-CE2 3.48Å; I127-F131 VanDerWaalsContact CG2-CE2 3.48Å; I127-F131 WeakPolarHBondContact O-CD2 3.2Å; I127-F131 PolarHBondContact O-N 3.32Å |
| 128 | S | 86.2 | Confident | 77.1 | Confident | 62 Ų | 62 | 99.7 Ų | 99.7 | 43% | 0.434 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 176.6 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | P124 A125 L130 F131 E132 | P124-S128 PolarHBondContact O-N 2.99Å; P124-S128 PolarHBondContact O-OG 3.26Å; A125-S128 PolarHBondContact O-N 3.16Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 2.84Å; S128-F131 PolarHBondContact O-N 3.39Å; S128-F131 VanDerWaalsContact O-N 3.11Å; S128-E132 PolarHBondContact O-N 3.47Å; S128-E132 VanDerWaalsContact O-N 3.11Å |
| 129 | S | 86.4 | Confident | 77 | Confident | 37 Ų | 37 | 99.9 Ų | 99.9 | 26% | 0.259 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.3 | -34.3 | 178.1 | -173.1 | 0 | 0 | 0 | 0 | 113 | A125 E126 I127 F131 R133 | A125-S129 WeakPolarHBondContact O-CB 3.36Å; A125-S129 PolarHBondContact O-N 2.92Å; E126-S129 PolarHBondContact O-N 3.2Å; I127-S129 PolarHBondContact O-N 2.8Å; S129-F131 VanDerWaalsContact C-N 3.34Å; S129-R133 WeakPolarHBondContact O-CG 3.41Å; S129-R133 PolarHBondContact O-N 3.15Å; S129-R133 VanDerWaalsContact O-N 3.15Å; S129-R133 PolarHBondContact OG-NE 3.3Å |
| 130 | L | 87.6 | Confident | 76.7 | Confident | 87 Ų | 87 | 101.9 Ų | 101.9 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 173.9 | -72.8 | 171.4 | 0 | 0 | 0 | 112 | E126 I127 S128 Q134 | E126-L130 WeakPolarHBondContact O-CG 3.18Å; E126-L130 PolarHBondContact O-N 2.81Å; I127-L130 WeakPolarHBondContact O-CB 3.36Å; I127-L130 PolarHBondContact O-N 3.03Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 2.84Å; L130-Q134 WeakPolarHBondContact O-CB 3.08Å; L130-Q134 WeakPolarHBondContact O-CG 3.4Å; L130-Q134 PolarHBondContact O-N 3.23Å; L130-Q134 VanDerWaalsContact O-N 3.14Å; L130-Q134 PolarHBondContact O-NE2 2.83Å |
| 131 | F | 83.8 | Confident | 76.3 | Confident | 63 Ų | 63 | 102.8 Ų | 102.8 | 28% | 0.276 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.6 | -43.1 | 177.7 | -74.4 | -68.9 | 0 | 0 | 0 | 112.2 | I127 S128 S129 R133 Q134 G135 L136 P139 | I127-F131 HydrophobicContact CG2-CD2 3.99Å; I127-F131 HydrophobicContact CG2-CE2 3.48Å; I127-F131 VanDerWaalsContact CG2-CE2 3.48Å; I127-F131 WeakPolarHBondContact O-CD2 3.2Å; I127-F131 PolarHBondContact O-N 3.32Å; S128-F131 PolarHBondContact O-N 3.39Å; S128-F131 VanDerWaalsContact O-N 3.11Å; S129-F131 VanDerWaalsContact C-N 3.34Å; F131-R133 PolarHBondContact O-N 3.32Å; F131-Q134 PolarHBondContact O-N 3.23Å; F131-G135 PolarHBondContact O-N 3.28Å; F131-G135 VanDerWaalsContact O-N 3.07Å; F131-L136 HydrophobicContact CD1-CB 4.02Å; F131-L136 PolarHBondContact O-N 3.38Å; F131-P139 HydrophobicContact CE2-CG 4.27Å |
| 132 | E | 85.2 | Confident | 75 | Confident | 153 Ų | 153 | 103.4 Ų | 103.4 | 72% | 0.715 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.8 | -44 | 176.9 | -70.9 | 173.5 | 176.9 | 0 | 0 | 112.3 | S128 Q134 G135 | S128-E132 PolarHBondContact O-N 3.47Å; S128-E132 VanDerWaalsContact O-N 3.11Å; E132-Q134 VanDerWaalsContact C-N 3.32Å; E132-Q134 PolarHBondContact O-N 3.02Å; E132-G135 PolarHBondContact O-N 3.14Å |
| 133 | R | 80.8 | Confident | 73.7 | Confident | 208 Ų | 208 | 104 Ų | 104 | 79% | 0.785 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.3 | -25.5 | 180 | -67.3 | 174.1 | -173.5 | -87.3 | -1.5 | 113.3 | S129 F131 | S129-R133 WeakPolarHBondContact O-CG 3.41Å; S129-R133 PolarHBondContact O-N 3.15Å; S129-R133 VanDerWaalsContact O-N 3.15Å; S129-R133 PolarHBondContact OG-NE 3.3Å; F131-R133 PolarHBondContact O-N 3.32Å |
| 134 | Q | 80.8 | Confident | 72.4 | Confident | 121 Ų | 121 | 104 Ų | 104 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -90.2 | -5.7 | 178.6 | -68.9 | 173.3 | 47.6 | 0 | 0 | 112.7 | L130 F131 E132 L136 | L130-Q134 WeakPolarHBondContact O-CB 3.08Å; L130-Q134 WeakPolarHBondContact O-CG 3.4Å; L130-Q134 PolarHBondContact O-N 3.23Å; L130-Q134 VanDerWaalsContact O-N 3.14Å; L130-Q134 PolarHBondContact O-NE2 2.83Å; F131-Q134 PolarHBondContact O-N 3.23Å; E132-Q134 VanDerWaalsContact C-N 3.32Å; E132-Q134 PolarHBondContact O-N 3.02Å; Q134-L136 HydrophobicContact CB-CD1 4.21Å; Q134-L136 HydrophobicContact CB-CG 4.15Å; Q134-L136 PolarHBondContact O-N 3.48Å |
| 135 | G | 71.2 | Confident | 71 | Confident | 67 Ų | 67 | 103.6 Ų | 103.6 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.4 | 21 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F131 E132 | F131-G135 PolarHBondContact O-N 3.28Å; F131-G135 VanDerWaalsContact O-N 3.07Å; E132-G135 PolarHBondContact O-N 3.14Å |
| 136 | L | 66.9 | Low | 69.7 | Low | 91 Ų | 91 | 108.6 Ų | 108.6 | 48% | 0.476 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -91.1 | 133.1 | 179.8 | -70.9 | 176.7 | 0 | 0 | 0 | 109.2 | F131 Q134 G138 | F131-L136 HydrophobicContact CD1-CB 4.02Å; F131-L136 PolarHBondContact O-N 3.38Å; Q134-L136 HydrophobicContact CB-CD1 4.21Å; Q134-L136 HydrophobicContact CB-CG 4.15Å; Q134-L136 PolarHBondContact O-N 3.48Å; L136-G138 PolarHBondContact O-N 3.16Å |
| 137 | P | 59.7 | Low | 68.3 | Low | 119 Ų | 119 | 113.8 Ų | 113.8 | 77% | 0.773 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -60 | 129.3 | 173.1 | 25.5 | -31.3 | 0 | 0 | 0 | 108.6 | ||
| 138 | G | 62.8 | Low | 66.8 | Low | 33 Ų | 33 | 119.1 Ų | 119.1 | 34% | 0.34 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 168.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L136 E140 | L136-G138 PolarHBondContact O-N 3.16Å; G138-E140 PolarHBondContact O-N 2.63Å |
| 139 | P | 62.5 | Low | 65.1 | Low | 100 Ų | 100 | 119.7 Ų | 119.7 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -71.4 | 1.2 | -168.2 | 29.7 | -34.1 | 0 | 0 | 0 | 114.7 | F131 K141 | F131-P139 HydrophobicContact CE2-CG 4.27Å; P139-K141 PolarHBondContact O-N 3.24Å |
| 140 | E | 57.5 | Low | 63.9 | Low | 149 Ų | 149 | 125.2 Ų | 125.2 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -82.8 | 97.7 | 173.1 | 44.3 | -123 | 122.2 | 0 | 0 | 111.7 | G138 | G138-E140 PolarHBondContact O-N 2.63Š|
| 141 | K | 57.1 | Low | 62.3 | Low | 188 Ų | 188 | 126.9 Ų | 126.9 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | trans | 114.9 | 69.1 | 162.3 | -56.9 | 150.3 | -167.4 | 179.8 | 0 | 114.3 | P139 | P139-K141 PolarHBondContact O-N 3.24Š| ||
| 142 | L | 48.1 | Very low | 60.8 | Low | 173 Ų | 173 | 134.3 Ų | 134.3 | 91% | 0.906 | 73% | 0.725 | S | S | * | * | trans | -109 | 97.6 | 148.3 | -70.9 | -175.8 | 0 | 0 | 0 | 109.4 | G144 | L142-G144 PolarHBondContact O-N 3.48Š| ||
| 143 | P | 48.4 | Very low | 59 | Low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | trans | -75 | 112 | 166.4 | 30.3 | -27.1 | 0 | 0 | 0 | 107.9 | ||||
| 144 | G | 55.1 | Low | 57.5 | Low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | trans | 73.1 | 97.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L142 | L142-G144 PolarHBondContact O-N 3.48Š| ||
| 145 | S | 54 | Low | 55.9 | Low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | trans | -141.7 | 68.3 | 142.3 | -123.6 | 0 | 0 | 0 | 0 | 110.7 | R147 | S145-R147 PolarHBondContact O-N 3.5Å; S145-R147 WeakPolarHBondContact OG-CG 3.15Å; S145-R147 PolarHBondContact OG-NE 2.98Å | ||
| 146 | L | 56.4 | Low | 54.8 | Low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | -60.5 | 71.4 | 149.3 | -170.7 | 81.3 | 0 | 0 | 0 | 107.9 | K148 | L146-K148 PolarHBondContact O-N 3.21Å; L146-K148 VanDerWaalsContact O-N 3.15Å | ||
| 147 | R | 56.5 | Low | 53.4 | Low | 212 Ų | 212 | 136.1 Ų | 136.1 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -84.4 | 93.1 | 173.4 | -67.5 | -126.5 | -168.4 | -180 | 4.9 | 108 | S145 | S145-R147 PolarHBondContact O-N 3.5Å; S145-R147 WeakPolarHBondContact OG-CG 3.15Å; S145-R147 PolarHBondContact OG-NE 2.98Å | ||
| 148 | K | 55 | Low | 52.8 | Low | 183 Ų | 183 | 136.1 Ų | 136.1 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 43.4 | 110.3 | 143.5 | -88.2 | 78.1 | 177.4 | -175.8 | 0 | 115.5 | L146 | L146-K148 PolarHBondContact O-N 3.21Å; L146-K148 VanDerWaalsContact O-N 3.15Å | ||
| 149 | G | 50.8 | Low | 51.5 | Low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | -46.7 | 141.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P151 | G149-P151 WeakPolarHBondContact O-CD 3.4Š| ||
| 150 | I | 61.5 | Low | 50.9 | Low | 153 Ų | 153 | 142.8 Ų | 142.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -84 | 108.4 | 175.3 | -59 | 159.4 | 0 | 0 | 0 | 106.5 | R152 | I150-R152 PolarHBondContact O-N 3.39Å; I150-R152 VanDerWaalsContact O-N 3.14Å | ||
| 151 | P | 54.9 | Low | 50 | Low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -74.7 | 107.9 | 164.5 | 30.1 | -30.2 | 0 | 0 | 0 | 107.7 | G149 | G149-P151 WeakPolarHBondContact O-CD 3.4Š| ||
| 152 | R | 52.3 | Low | 49.2 | Very low | 219 Ų | 219 | 141 Ų | 141 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -65.7 | 142.9 | 158.5 | -65.9 | 171.4 | 82.8 | 112 | -5.2 | 107.5 | I150 | I150-R152 PolarHBondContact O-N 3.39Å; I150-R152 VanDerWaalsContact O-N 3.14Å | ||
| 153 | T | 46.4 | Very low | 49.3 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 92.2 | 114 | 161 | 72.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 154 | K | 49.8 | Very low | 48.8 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | trans | 55.7 | 115.3 | 133.7 | -54.2 | -176.1 | -175.4 | -173.5 | 0 | 118.8 | ||||
| 155 | S | 47.3 | Very low | 48 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | -172.8 | 129.8 | 116.8 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 156 | V | 47.3 | Very low | 47.1 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -70.1 | 122.2 | 156.1 | 166 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 157 | V | 39.1 | Very low | 46.1 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | trans | -146.9 | 110.4 | 157 | 172.4 | 0 | 0 | 0 | 0 | 109.1 | Q159 | V157-Q159 HydrophobicContact CG1-CG 4.03Š| ||
| 158 | V | 45.7 | Very low | 45.1 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -55.7 | 130.5 | 156.6 | 168.3 | 0 | 0 | 0 | 0 | 108.9 | P160 | V158-P160 HydrophobicContact CG1-CG 4.4Š| ||
| 159 | Q | 36.6 | Very low | 44.4 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -126 | 121.6 | 163.6 | -73.1 | -166.1 | 0.9 | 0 | 0 | 110 | V157 | V157-Q159 HydrophobicContact CG1-CG 4.03Š| ||
| 160 | P | 50.3 | Low | 43.9 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | trans | -110.1 | 174.5 | 167 | 25.8 | -6.3 | 0 | 0 | 0 | 112.5 | V158 | V158-P160 HydrophobicContact CG1-CG 4.4Š| ||
| 161 | L | 37.8 | Very low | 43.1 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 85.2 | 131.3 | 166.8 | -61.4 | 100.9 | 0 | 0 | 0 | 116.1 | ||||
| 162 | H | 40.9 | Very low | 42.2 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -158.2 | 173.9 | 47.8 | -94.3 | -71.5 | 0 | 0 | 0 | 113.7 | ||||
| 163 | P | 49.8 | Very low | 41.5 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -113.4 | 173.6 | -139.1 | 42.7 | -36.3 | 0 | 0 | 0 | 116.4 | ||||
| 164 | A | 37.7 | Very low | 41.1 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -133.1 | 114.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 165 | R | 38.1 | Very low | 40.5 | Very low | 237 Ų | 237 | 134.9 Ų | 134.9 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | 45.8 | 109 | 146.7 | -85.9 | 178 | 170.9 | 169.5 | -3.2 | 122.5 | ||||
| 166 | T | 35.8 | Very low | 39.9 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | 12.5 | 118.5 | 124.2 | 6.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 167 | Q | 35.5 | Very low | 39.3 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | 172.1 | 145.3 | 109.7 | -106.3 | -170.3 | 6.5 | 0 | 0 | 111.2 | |||||
| 168 | G | 35.2 | Very low | 39 | Very low | 65 Ų | 65 | 137.7 Ų | 137.7 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | 115.5 | 87.9 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 169 | S | 40 | Very low | 38.5 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 51 | 111.1 | 137 | 60.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 170 | A | 40.3 | Very low | 38.7 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -58 | 136.5 | 153 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 171 | L | 44.2 | Very low | 38.7 | Very low | 139 Ų | 139 | 137 Ų | 137 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | trans | -165.8 | 113.4 | 142.6 | -87.6 | -169.3 | 0 | 0 | 0 | 110.6 | ||||
| 172 | R | 36.3 | Very low | 38.9 | Very low | 225 Ų | 225 | 138 Ų | 138 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | 69.8 | 133.6 | 130 | -141.3 | -168.8 | -54.6 | -96.7 | 3.4 | 120.1 | |||||
| 173 | G | 37.2 | Very low | 39.5 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 122.3 | 89.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 174 | A | 38.3 | Very low | 39.2 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | 86.8 | 131.9 | 68.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 175 | K | 38 | Very low | 39.4 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | 92.5 | 106.4 | 157.4 | -63.4 | -179.3 | 175.6 | -177.4 | 0 | 117.2 | ||||
| 176 | C | 33.8 | Very low | 39.7 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | 71.7 | 101.4 | 73.1 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 177 | E | 34.5 | Very low | 39.9 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | 78.4 | 133.1 | 78.9 | -169.9 | 162.8 | 122.5 | 0 | 0 | 114.4 | |||||
| 178 | C | 33.5 | Very low | 40.2 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 71.2 | 113.5 | 164.7 | -88.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 179 | A | 34.2 | Very low | 40.5 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | 165.4 | 114.1 | 105.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 180 | Q | 41.9 | Very low | 40.9 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -84.5 | 161.3 | 139.9 | -72.4 | -94.5 | -30.7 | 0 | 0 | 106 | ||||
| 181 | P | 49.6 | Very low | 40.8 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | cis | -160.4 | -179.8 | 41 | 42.8 | -18.5 | 0 | 0 | 0 | 119 | ||||
| 182 | L | 42.5 | Very low | 40.6 | Very low | 154 Ų | 154 | 138 Ų | 138 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | 78.6 | 166.7 | 152.2 | -43.8 | -175.4 | 0 | 0 | 0 | 120.7 | ||||
| 183 | P | 52.5 | Low | 40.9 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | -125.7 | 162.8 | -115.4 | 19.3 | 9.3 | 0 | 0 | 0 | 111.5 | |||||
| 184 | L | 44.4 | Very low | 41.2 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -138.2 | 106.9 | 169 | -73.4 | 174.4 | 0 | 0 | 0 | 111.1 | ||||
| 185 | T | 41.6 | Very low | 40.9 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -47.9 | 137.2 | 148.7 | 32.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 186 | I | 44.5 | Very low | 41.1 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -158.9 | 132.5 | 138.2 | -88.2 | 137.8 | 0 | 0 | 0 | 108.2 | ||||
| 187 | S | 40.3 | Very low | 41.5 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -73.1 | 151.5 | 173.8 | -73.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 188 | A | 41.3 | Very low | 41.7 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -148.7 | 117.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 189 | A | 41.8 | Very low | 41.6 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -70.9 | 141.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 190 | L | 47.8 | Very low | 41.5 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -129.9 | 110.3 | 152.5 | -82 | 172.2 | 0 | 0 | 0 | 109 | ||||
| 191 | A | 39 | Very low | 41.7 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -61.4 | 127.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 192 | F | 39.9 | Very low | 40.8 | Very low | 209 Ų | 209 | 145.5 Ų | 145.5 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -117.4 | 117.4 | 156 | -132.9 | -94.2 | 0 | 0 | 0 | 108.5 | ||||
| 193 | S | 42.2 | Very low | 40.7 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -64.8 | 129.8 | -172.9 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 194 | R | 42.9 | Very low | 39.9 | Very low | 232 Ų | 232 | 143.2 Ų | 143.2 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | 15.6 | 110.7 | 131.4 | -55.8 | -179.4 | -162 | -92.1 | -0.4 | 116 | ||||
| 195 | L | 33.4 | Very low | 39.8 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -143.4 | 91.5 | 131.7 | -144.3 | 76.8 | 0 | 0 | 0 | 108.8 | ||||
| 196 | W | 40.9 | Very low | 39.4 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -93.3 | 133.1 | 173.8 | -178.4 | -94.6 | 0 | 0 | 0 | 108.3 | Q198 | W196-Q198 VanDerWaalsContact CZ2-CD 3.45Å; W196-Q198 HydrophobicContact CZ2-CG 3.56Å | ||
| 197 | P | 43.8 | Very low | 39.1 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -118.2 | 104.7 | 150.7 | 5.8 | 15.3 | 0 | 0 | 0 | 110 | ||||
| 198 | Q | 38 | Very low | 39 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | -84.8 | 124.6 | 155.1 | -105.7 | 176.2 | -6.7 | 0 | 0 | 108.8 | W196 | W196-Q198 VanDerWaalsContact CZ2-CD 3.45Å; W196-Q198 HydrophobicContact CZ2-CG 3.56Å | ||
| 199 | C | 31 | Very low | 38.9 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | 38.9 | 123 | 128.7 | -53.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 200 | R | 32.3 | Very low | 39.3 | Very low | 244 Ų | 244 | 143.4 Ų | 143.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | -149 | 134.6 | 129.2 | -132.9 | -178.1 | -164.9 | -163.1 | 4.8 | 112.4 | |||||
| 201 | P | 45.2 | Very low | 38.8 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -94.8 | 175.5 | 170.5 | 37.6 | -31.5 | 0 | 0 | 0 | 111.8 | ||||
| 202 | A | 31.1 | Very low | 38.7 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 103.2 | 110.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 203 | S | 40.8 | Very low | 39 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | -156 | 105.5 | 127.6 | 36.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 204 | A | 36.6 | Very low | 39.3 | Very low | 103 Ų | 103 | 142 Ų | 142 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -65 | 137.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 205 | I | 41.3 | Very low | 39.5 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | trans | -143.3 | 136.3 | 160.1 | 7.1 | 173.7 | 0 | 0 | 0 | 108.5 | ||||
| 206 | S | 33.2 | Very low | 39.9 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -68.4 | 155.4 | -164.5 | -63.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 207 | T | 38.8 | Very low | 40.1 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | 32.3 | 108.4 | 128.1 | -41.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 208 | E | 37.4 | Very low | 40.3 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -155.8 | 118 | 133.1 | -154.9 | 178.6 | 130.8 | 0 | 0 | 110.6 | ||||
| 209 | A | 40.4 | Very low | 40.5 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -88.7 | 144.4 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 210 | P | 49.1 | Very low | 41.1 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | -132.9 | 149.3 | 126.4 | 26.1 | -10.3 | 0 | 0 | 0 | 113.2 | |||||
| 211 | A | 37.5 | Very low | 41.7 | Very low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -69.1 | 172.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 212 | A | 38.1 | Very low | 41.5 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | 86.4 | 95.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 213 | L | 45.2 | Very low | 42.1 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | -153 | 62 | 123.7 | -141.1 | 108.2 | 0 | 0 | 0 | 111.4 | Q215 | L213-Q215 PolarHBondContact O-N 3.46Š| |||
| 214 | E | 47.6 | Very low | 42.2 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -89.7 | 79.3 | 161.4 | -120.4 | -80 | 128.4 | 0 | 0 | 106.8 | ||||
| 215 | Q | 47.2 | Very low | 42.6 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -150.5 | 71.9 | 168.5 | -71.9 | -158.7 | 10.4 | 0 | 0 | 111.4 | L213 | L213-Q215 PolarHBondContact O-N 3.46Š| ||
| 216 | V | 42.9 | Very low | 43.4 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 93% | 0.927 | 81% | 0.805 | S | S | * | * | trans | -125.3 | 64.4 | 140.2 | -175.1 | 0 | 0 | 0 | 0 | 106.5 | C218 | V216-C218 PolarHBondContact O-N 3.37Š| ||
| 217 | R | 44.2 | Very low | 44.2 | Very low | 226 Ų | 226 | 141.4 Ų | 141.4 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -68.3 | 118.7 | 172.5 | -166.4 | 179.6 | -165 | 178.6 | 4.3 | 107.8 | G219 | R217-G219 PolarHBondContact O-N 3.39Š| ||
| 218 | C | 48.9 | Very low | 44.7 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | 12.9 | 103.8 | 138.7 | -59.2 | 0 | 0 | 0 | 0 | 114.7 | V216 | V216-C218 PolarHBondContact O-N 3.37Š| ||
| 219 | G | 40.9 | Very low | 45.2 | Very low | 67 Ų | 67 | 149.5 Ų | 149.5 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -158.1 | 65.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | R217 | R217-G219 PolarHBondContact O-N 3.39Š| ||
| 220 | R | 44 | Very low | 45.9 | Very low | 242 Ų | 242 | 149.8 Ų | 149.8 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -166.9 | 99.9 | 135.8 | -143.9 | 166.5 | -72.9 | -105.8 | 0.9 | 111.1 | ||||
| 221 | L | 44.5 | Very low | 46.2 | Very low | 168 Ų | 168 | 150.3 Ų | 150.3 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | trans | -75.8 | 144.9 | 154 | -73.4 | 166.7 | 0 | 0 | 0 | 108.6 | ||||
| 222 | A | 42.5 | Very low | 47.3 | Very low | 101 Ų | 101 | 157 Ų | 157 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | 71.7 | 138.6 | 146 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 223 | G | 43.8 | Very low | 48.5 | Very low | 64 Ų | 64 | 158.8 Ų | 158.8 | 66% | 0.66 | 83% | 0.828 | S | S | * | * | trans | 85.4 | 127.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 224 | E | 43.1 | Very low | 49 | Very low | 181 Ų | 181 | 158.4 Ų | 158.4 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | cis | -165.2 | 144.3 | 23.6 | -81.6 | -73.1 | 103.5 | 0 | 0 | 107.2 | ||||
| 225 | H | 43.8 | Very low | 49.3 | Very low | 146 Ų | 146 | 161.4 Ų | 161.4 | 68% | 0.676 | 83% | 0.829 | S | S | * | * | trans | -73.6 | 146.4 | 164.2 | -154 | -58.9 | 0 | 0 | 0 | 108.4 | L227 | H225-L227 VanDerWaalsContact CE1-CG 3.5Å; H225-L227 WeakPolarHBondContact CE1-CG 3.37Å; H225-L227 PolarHBondContact ND1-N 3Å | ||
| 226 | P | 57.8 | Low | 49.5 | Very low | 116 Ų | 116 | 156.8 Ų | 156.8 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -134.9 | 122.7 | 131.2 | 24.2 | -7.3 | 0 | 0 | 0 | 113 | R228 | P226-R228 PolarHBondContact O-N 3.42Š| ||
| 227 | L | 51 | Low | 50.1 | Low | 148 Ų | 148 | 159.3 Ų | 159.3 | 78% | 0.775 | 85% | 0.846 | S | S | * | * | trans | -61.5 | 116.1 | 158.6 | -75.6 | 163.8 | 0 | 0 | 0 | 108.8 | H225 | H225-L227 VanDerWaalsContact CE1-CG 3.5Å; H225-L227 WeakPolarHBondContact CE1-CG 3.37Å; H225-L227 PolarHBondContact ND1-N 3Å | ||
| 228 | R | 48.3 | Very low | 50.4 | Low | 237 Ų | 237 | 156 Ų | 156 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | trans | -149.7 | 98.8 | 148.7 | -82.1 | -145.6 | 171.6 | -165 | 1.3 | 108.4 | P226 | P226-R228 PolarHBondContact O-N 3.42Š| ||
| 229 | R | 48.8 | Very low | 50.4 | Low | 243 Ų | 243 | 157.3 Ų | 157.3 | 92% | 0.917 | 84% | 0.844 | S | S | * | * | 58 | 99.1 | 93.9 | -82.8 | -171.7 | 177.2 | 173.8 | 0.3 | 115 | |||||
| 230 | A | 55.2 | Low | 51 | Low | 97 Ų | 97 | 162.3 Ų | 162.3 | 80% | 0.802 | 85% | 0.852 | S | S | * | * | trans | 72.1 | 165 | 132.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 231 | P | 55.1 | Low | 51.4 | Low | 122 Ų | 122 | 157.6 Ų | 157.6 | 79% | 0.792 | 85% | 0.849 | S | S | * | * | cis | -126.8 | 168.5 | -32.7 | 28.1 | -8 | 0 | 0 | 0 | 113.4 | ||||
| 232 | R | 59.7 | Low | 51.8 | Low | 239 Ų | 239 | 157 Ų | 157 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 143.9 | 167.9 | -64.9 | 176.3 | 173.6 | 169.3 | -2.9 | 111.3 | ||
| 233 | P | 64.6 | Low | 52.4 | Low | 130 Ų | 130 | 160.7 Ų | 160.7 | 84% | 0.844 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 125.4 | 155.2 | 24.5 | -14.2 | 0 | 0 | 0 | 110.7 | ||
| 234 | L | 55.8 | Low | 53 | Low | 162 Ų | 162 | 167.6 Ų | 167.6 | 85% | 0.848 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 160.5 | 160.2 | -79.8 | 163.9 | 0 | 0 | 0 | 109.7 | ||
| 235 | R | 52.4 | Low | 53.8 | Low | 250 Ų | 250 | 166.6 Ų | 166.6 | 94% | 0.943 | 86% | 0.862 | S | S | * | * | trans | 84.1 | 125.4 | 175.7 | -69.1 | -177.4 | 166 | -148.9 | -4.6 | 114.5 | ||||
| 236 | G | 51.4 | Low | 54.6 | Low | 70 Ų | 70 | 168.3 Ų | 168.3 | 72% | 0.722 | 88% | 0.878 | S | S | * | * | cis | 104.7 | 161.6 | 36.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 237 | P | 55.6 | Low | 54.3 | Low | 206 Ų | 206 | 173.1 Ų | 173.1 | 100% | 1.338 | 89% | 0.889 | S | S | * | * | cis | -97 | 0 | 0.4 | 38.9 | -32.7 | 0 | 0 | 0 | 114.8 |
Retrieved 237 of 237 residues in 180.1 ms
(Link to these results)