| 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 | 31.3 | Very low | 58.8 | Low | 232 Ų | 232 | 105.7 Ų | 105.7 | 100% | 1.143 | 64% | 0.639 | S | S | * | * | 0 | 124.9 | 0 | -64 | -58.5 | -151.4 | 0 | 0 | 108.4 | |||||
| 2 | P | 33.1 | Very low | 61.3 | Low | 121 Ų | 121 | 107.4 Ų | 107.4 | 79% | 0.786 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 153.4 | 161.5 | -16.1 | 31.5 | 0 | 0 | 0 | 110.3 | ||
| 3 | A | 36.8 | Very low | 63 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 88% | 0.876 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 127.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 4 | V | 42.3 | Very low | 64.7 | Low | 113 Ų | 113 | 97.2 Ų | 97.2 | 69% | 0.685 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 132.6 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | T6 | V4-T6 PolarHBondContact O-N 3.45Š|
| 5 | S | 43.4 | Very low | 65.9 | Low | 60 Ų | 60 | 98.9 Ų | 98.9 | 42% | 0.42 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -59 | 132.6 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | G7 | S5-G7 VanDerWaalsContact C-N 3.27Å; S5-G7 PolarHBondContact O-N 3.41Å; S5-G7 PolarHBondContact OG-N 3.22Å; S5-G7 PolarHBondContact OG-O 2.76Å |
| 6 | T | 53.1 | Low | 67.2 | Low | 158 Ų | 158 | 95.1 Ų | 95.1 | 97% | 0.969 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -83.6 | 3.1 | 178.2 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | V4 | V4-T6 PolarHBondContact O-N 3.45Š|
| 7 | G | 69.9 | Low | 68.2 | Low | 36 Ų | 36 | 91.6 Ų | 91.6 | 37% | 0.371 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -147.6 | 161.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S5 R54 | S5-G7 VanDerWaalsContact C-N 3.27Å; S5-G7 PolarHBondContact O-N 3.41Å; S5-G7 PolarHBondContact OG-N 3.22Å; S5-G7 PolarHBondContact OG-O 2.76Å; G7-R54 WeakPolarHBondContact O-CB 3.48Å |
| 8 | A | 78.4 | Confident | 69 | Low | 57 Ų | 57 | 88.6 Ų | 88.6 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 142.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 9 | K | 85.1 | Confident | 69.9 | Low | 74 Ų | 74 | 86.1 Ų | 86.1 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 152.8 | -179.4 | -61.1 | -175.5 | -164.2 | 176 | 0 | 111.3 | D53 R54 D55 R112 | K9-D53 VanDerWaalsContact CE-O 3.22Å; K9-D53 WeakPolarHBondContact CE-O 3.44Å; K9-D53 IonicContact NZ-OD2 2.61Å; K9-R54 PolarHBondContact N-O 2.67Å; K9-D55 HydrophobicContact CD-CB 3.86Å; K9-D55 IonicContact NZ-OD2 2.71Å; K9-D55 PolarHBondContact NZ-OD2 2.82Å; K9-R112 PolarHBondContact O-NH1 3.26Å; K9-R112 PolarHBondContact O-NH2 3.33Å |
| 10 | E | 85.5 | Confident | 70.7 | Confident | 162 Ų | 162 | 81.8 Ų | 81.8 | 76% | 0.757 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 156.2 | 170.5 | -64 | -176.3 | 157.9 | 0 | 0 | 111.1 | Y12 | E10-Y12 PolarHBondContact O-N 3.12Š|
| 11 | L | 88.1 | Confident | 71.3 | Confident | 44 Ų | 44 | 80.8 Ų | 80.8 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 120.4 | 176.5 | -60.5 | 175.7 | 0 | 0 | 0 | 109.3 | E57 L109 R112 Y113 V116 | L11-E57 WeakPolarHBondContact CA-OE2 3.33Å; L11-E57 HydrophobicContact CD2-CG 3.64Å; L11-L109 HydrophobicContact CD2-CD2 3.74Å; L11-R112 HydrophobicContact CD1-CB 3.9Å; L11-Y113 HydrophobicContact CB-CE1 4.41Å; L11-Y113 HydrophobicContact CD1-CD1 3.67Å; L11-Y113 HydrophobicContact CD1-CE1 3.75Å; L11-Y113 HydrophobicContact CD1-CG 4.32Å; L11-Y113 HydrophobicContact CD2-CE1 4.39Å; L11-Y113 HydrophobicContact CG-CE1 4.42Å; L11-V116 HydrophobicContact CD1-CG2 4.3Å |
| 12 | Y | 89 | Confident | 73.9 | Confident | 126 Ų | 126 | 75.7 Ų | 75.7 | 49% | 0.494 | 45% | 0.451 | S | S | . | . | trans | -138.4 | -19 | -171.5 | 80 | -80.7 | 0 | 0 | 0 | 113.8 | E10 E57 | E10-Y12 PolarHBondContact O-N 3.12Å; Y12-E57 WeakPolarHBondContact CD1-OE2 3.27Å; Y12-E57 PolarHBondContact N-OE2 3.03Å | ||
| 13 | L | 82.8 | Confident | 76.3 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 29% | 0.288 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -83.8 | -40.8 | -178.3 | -78.1 | 172.7 | 0 | 0 | 0 | 112.8 | L20 K23 E57 K58 | L13-L20 HydrophobicContact CB-CD2 4.04Å; L13-K23 PolarHBondContact O-NZ 3.39Å; L13-E57 HydrophobicContact CB-CB 4.11Å; L13-E57 HydrophobicContact CD1-CB 3.77Å; L13-E57 HydrophobicContact CG-CB 4.35Å; L13-E57 PolarHBondContact N-OE1 2.76Å; L13-E57 PolarHBondContact N-OE2 3.49Å; L13-K58 HydrophobicContact CD1-CB 3.79Å; L13-K58 HydrophobicContact CD1-CG 4.37Å |
| 14 | S | 86.6 | Confident | 78.5 | Confident | 17 Ų | 17 | 70 Ų | 70 | 12% | 0.119 | 40% | 0.395 | C | S | . | . | trans | -145.7 | 174 | -174.3 | -85.2 | 0 | 0 | 0 | 0 | 113.3 | D19 K23 E57 Y113 | S14-D19 PolarHBondContact OG-O 3.09Å; S14-K23 PolarHBondContact OG-NZ 3.27Å; S14-E57 PolarHBondContact N-OE1 3.12Å; S14-Y113 WeakPolarHBondContact CB-OH 3.18Å; S14-Y113 VanDerWaalsContact O-CE1 3.29Å; S14-Y113 WeakPolarHBondContact O-CE1 3.44Å | ||
| 15 | T | 83.8 | Confident | 80.4 | Confident | 122 Ų | 122 | 71.1 Ų | 71.1 | 75% | 0.748 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -102.4 | -10.7 | 175.4 | 41.6 | 0 | 0 | 0 | 0 | 113.8 | D19 | T15-D19 PolarHBondContact OG1-OD2 2.8Š|
| 16 | S | 86.2 | Confident | 82.2 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -155.7 | 159.7 | 177 | 78 | 0 | 0 | 0 | 0 | 111.3 | G18 D19 L20 | S16-G18 PolarHBondContact O-N 2.85Å; S16-G18 PolarHBondContact OG-N 3.4Å; S16-D19 PolarHBondContact O-N 2.8Å; S16-D19 PolarHBondContact OG-N 2.95Å; S16-D19 VanDerWaalsContact OG-N 3.08Å; S16-D19 PolarHBondContact OG-OD2 3.29Å; S16-L20 PolarHBondContact O-N 2.81Å; S16-L20 VanDerWaalsContact O-N 3.09Å |
| 17 | L | 84.1 | Confident | 83.2 | Confident | 36 Ų | 36 | 72 Ų | 72 | 19% | 0.188 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.6 | -33 | 172.1 | -173.7 | 65 | 0 | 0 | 0 | 111.6 | D19 L20 N21 Y60 L109 K110 Y113 | L17-D19 VanDerWaalsContact C-N 3.29Å; L17-D19 PolarHBondContact O-N 3.21Å; L17-L20 HydrophobicContact CD1-CD1 4.23Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-N21 PolarHBondContact O-N 3.27Å; L17-Y60 HydrophobicContact CD1-CD1 4.13Å; L17-Y60 HydrophobicContact CD1-CE1 3.5Å; L17-L109 HydrophobicContact CD1-CB 4.23Å; L17-K110 HydrophobicContact CD2-CB 4.25Å; L17-Y113 HydrophobicContact CB-CD2 4.16Å; L17-Y113 HydrophobicContact CB-CE2 4.31Å; L17-Y113 VanDerWaalsContact N-CD2 3.27Å; L17-Y113 VanDerWaalsContact N-CE2 3.29Å |
| 18 | G | 83.4 | Confident | 83.2 | Confident | 36 Ų | 36 | 75 Ų | 75 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -32.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S16 N21 K22 | S16-G18 PolarHBondContact O-N 2.85Å; S16-G18 PolarHBondContact OG-N 3.4Å; G18-N21 PolarHBondContact O-N 2.85Å; G18-K22 WeakPolarHBondContact O-CG 3.42Å; G18-K22 PolarHBondContact O-N 3.45Å; G18-K22 VanDerWaalsContact O-N 3.16Å |
| 19 | D | 84.7 | Confident | 82.8 | Confident | 42 Ų | 42 | 77.9 Ų | 77.9 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -82.9 | -25.3 | 177.1 | -59.1 | -51.1 | 0 | 0 | 0 | 112.9 | S14 T15 S16 L17 K22 K23 | S14-D19 PolarHBondContact OG-O 3.09Å; T15-D19 PolarHBondContact OG1-OD2 2.8Å; S16-D19 PolarHBondContact O-N 2.8Å; S16-D19 PolarHBondContact OG-N 2.95Å; S16-D19 VanDerWaalsContact OG-N 3.08Å; S16-D19 PolarHBondContact OG-OD2 3.29Å; L17-D19 VanDerWaalsContact C-N 3.29Å; L17-D19 PolarHBondContact O-N 3.21Å; D19-K22 IonicContact OD1-NZ 3.67Å; D19-K22 PolarHBondContact OD1-NZ 2.83Å; D19-K23 WeakPolarHBondContact O-CG 3.21Å; D19-K23 PolarHBondContact O-N 2.93Å |
| 20 | L | 85.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 163.3 | -68.5 | 179.8 | 0 | 0 | 0 | 111.2 | L13 S16 L17 K22 K23 A24 E57 Y60 V61 L109 Y113 | L13-L20 HydrophobicContact CB-CD2 4.04Å; S16-L20 PolarHBondContact O-N 2.81Å; S16-L20 VanDerWaalsContact O-N 3.09Å; L17-L20 HydrophobicContact CD1-CD1 4.23Å; L17-L20 PolarHBondContact O-N 2.86Å; L20-K22 PolarHBondContact O-N 2.85Å; L20-K23 CarbonylContact O-C 3.44Å; L20-K23 WeakPolarHBondContact O-CA 3.43Å; L20-K23 WeakPolarHBondContact O-CB 3.47Å; L20-K23 PolarHBondContact O-N 3.38Å; L20-A24 PolarHBondContact O-N 2.85Å; L20-E57 HydrophobicContact CD1-CB 4.32Å; L20-E57 HydrophobicContact CD1-CG 4.2Å; L20-E57 HydrophobicContact CD2-CB 4.05Å; L20-E57 HydrophobicContact CD2-CG 4.3Å; L20-Y60 HydrophobicContact CB-CD1 4.15Å; L20-Y60 HydrophobicContact CB-CE1 4.24Å; L20-Y60 HydrophobicContact CD1-CD1 3.93Å; L20-V61 HydrophobicContact CB-CG2 4.07Å; L20-V61 HydrophobicContact CD2-CG2 3.82Å; L20-V61 HydrophobicContact CG-CG2 4.47Å; L20-L109 HydrophobicContact CD1-CD1 3.76Å; L20-Y113 HydrophobicContact CD1-CE2 3.79Å; L20-Y113 VanDerWaalsContact CD1-OH 3.28Å; L20-Y113 WeakPolarHBondContact CD1-OH 3.35Å; L20-Y113 HydrophobicContact CG-CE2 4.27Å; L20-Y113 VanDerWaalsContact CG-OH 3.29Å; L20-Y113 WeakPolarHBondContact CG-OH 3.37Å |
| 21 | N | 84.1 | Confident | 81 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 32% | 0.321 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 178.5 | -74.5 | -18.9 | 0 | 0 | 0 | 112 | L17 G18 K23 A24 E25 Y60 | L17-N21 PolarHBondContact O-N 3.27Å; G18-N21 PolarHBondContact O-N 2.85Å; N21-K23 PolarHBondContact O-N 2.91Å; N21-A24 WeakPolarHBondContact O-CA 3.35Å; N21-A24 WeakPolarHBondContact O-CB 3.06Å; N21-A24 PolarHBondContact O-N 2.93Å; N21-E25 PolarHBondContact O-N 3.19Å; N21-Y60 WeakPolarHBondContact OD1-CE1 3.12Å; N21-Y60 PolarHBondContact OD1-OH 2.99Å |
| 22 | K | 86.3 | Confident | 80.7 | Confident | 126 Ų | 126 | 81 Ų | 81 | 55% | 0.548 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.2 | -36.9 | 171.1 | -65.8 | 166.6 | -158.8 | 164.6 | 0 | 112.6 | G18 D19 L20 A24 E25 | G18-K22 WeakPolarHBondContact O-CG 3.42Å; G18-K22 PolarHBondContact O-N 3.45Å; G18-K22 VanDerWaalsContact O-N 3.16Å; D19-K22 IonicContact OD1-NZ 3.67Å; D19-K22 PolarHBondContact OD1-NZ 2.83Å; L20-K22 PolarHBondContact O-N 2.85Å; K22-A24 VanDerWaalsContact C-N 3.3Å; K22-E25 WeakPolarHBondContact O-CB 3.43Å; K22-E25 PolarHBondContact O-N 2.64Å |
| 23 | K | 82.6 | Confident | 80.3 | Confident | 104 Ų | 104 | 75.1 Ų | 75.1 | 45% | 0.452 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -77.1 | -14.6 | 176.1 | -71.2 | 175.2 | -171.8 | 168 | 0 | 113.6 | L13 S14 D19 L20 N21 K65 | L13-K23 PolarHBondContact O-NZ 3.39Å; S14-K23 PolarHBondContact OG-NZ 3.27Å; D19-K23 WeakPolarHBondContact O-CG 3.21Å; D19-K23 PolarHBondContact O-N 2.93Å; L20-K23 CarbonylContact O-C 3.44Å; L20-K23 WeakPolarHBondContact O-CA 3.43Å; L20-K23 WeakPolarHBondContact O-CB 3.47Å; L20-K23 PolarHBondContact O-N 3.38Å; N21-K23 PolarHBondContact O-N 2.91Å; K23-K65 WeakPolarHBondContact O-CE 3.34Å; K23-K65 PolarHBondContact O-NZ 3.21Å |
| 24 | A | 83.6 | Confident | 80.3 | Confident | 4 Ų | 4 | 79.6 Ų | 79.6 | 3% | 0.033 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -84.1 | -16.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L20 N21 K22 I26 V61 M64 K65 | L20-A24 PolarHBondContact O-N 2.85Å; N21-A24 WeakPolarHBondContact O-CA 3.35Å; N21-A24 WeakPolarHBondContact O-CB 3.06Å; N21-A24 PolarHBondContact O-N 2.93Å; K22-A24 VanDerWaalsContact C-N 3.3Å; A24-I26 PolarHBondContact O-N 3.23Å; A24-V61 HydrophobicContact CB-CG1 4.47Å; A24-M64 HydrophobicContact CB-CB 3.54Å; A24-K65 HydrophobicContact CB-CG 4.47Å; A24-K65 VanDerWaalsContact O-CG 3.22Å; A24-K65 WeakPolarHBondContact O-CG 3.43Å |
| 25 | E | 81.8 | Confident | 80 | Confident | 136 Ų | 136 | 80.8 Ų | 80.8 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | trans | -56.5 | 136.6 | 177 | -67.1 | 177.1 | -150.7 | 0 | 0 | 112.4 | N21 K22 | N21-E25 PolarHBondContact O-N 3.19Å; K22-E25 WeakPolarHBondContact O-CB 3.43Å; K22-E25 PolarHBondContact O-N 2.64Å | ||
| 26 | I | 81 | Confident | 80.2 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 28% | 0.277 | 39% | 0.385 | S | S | . | . | trans | -128.2 | 125.7 | 173.2 | -71.9 | 173.3 | 0 | 0 | 0 | 107.9 | A24 L43 K65 T68 V69 I72 | A24-I26 PolarHBondContact O-N 3.23Å; I26-L43 HydrophobicContact CD1-CD1 4.49Å; I26-K65 HydrophobicContact CD1-CB 3.7Å; I26-K65 HydrophobicContact CD1-CD 4.1Å; I26-K65 HydrophobicContact CD1-CG 3.64Å; I26-K65 HydrophobicContact CG1-CD 4.39Å; I26-K65 HydrophobicContact CG1-CG 4.05Å; I26-T68 HydrophobicContact CB-CG2 4.19Å; I26-V69 HydrophobicContact CD1-CG2 3.7Å; I26-I72 HydrophobicContact CG2-CD1 4.5Å | ||
| 27 | K | 74.8 | Confident | 80.1 | Confident | 183 Ų | 183 | 73.8 Ų | 73.8 | 80% | 0.796 | 37% | 0.373 | S | S | * | . | trans | -78.1 | 134.7 | 172 | -65.5 | -176.6 | 179.5 | -179.4 | 0 | 109.4 | D29 | K27-D29 PolarHBondContact O-N 3.35Š| ||
| 28 | P | 70 | Confident | 80.2 | Confident | 97 Ų | 97 | 77.3 Ų | 77.3 | 63% | 0.63 | 39% | 0.388 | S | S | * | . | trans | -77.1 | 102.4 | -179.2 | 29.8 | -33.9 | 0 | 0 | 0 | 111.4 | I72 | P28-I72 HydrophobicContact CB-CD1 4.15Š| ||
| 29 | D | 69.1 | Low | 80.4 | Confident | 119 Ų | 119 | 77.9 Ų | 77.9 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | trans | -72.9 | 158.4 | 169.8 | -89.3 | -41.7 | 0 | 0 | 0 | 113.1 | K27 T31 Y36 | K27-D29 PolarHBondContact O-N 3.35Å; D29-T31 HydrophobicContact CB-CG2 4.38Å; D29-T31 PolarHBondContact O-N 2.86Å; D29-Y36 PolarHBondContact N-OH 2.74Å; D29-Y36 PolarHBondContact O-OH 3.33Å | ||
| 30 | K | 60.7 | Low | 80.6 | Confident | 216 Ų | 216 | 75.9 Ų | 75.9 | 94% | 0.939 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -76.3 | 30 | -179.8 | -61.8 | -175 | -179.5 | 179.3 | 0 | 114.1 | ||
| 31 | T | 73.1 | Confident | 80.8 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | trans | -76.5 | 168.1 | 176 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | D29 Y36 R76 | D29-T31 HydrophobicContact CB-CG2 4.38Å; D29-T31 PolarHBondContact O-N 2.86Å; T31-Y36 WeakPolarHBondContact OG1-CE2 3.34Å; T31-R76 PolarHBondContact O-NH1 2.97Å; T31-R76 PolarHBondContact O-NH2 3.14Å | ||
| 32 | S | 81.7 | Confident | 81.1 | Confident | 69 Ų | 69 | 82.3 Ų | 82.3 | 48% | 0.483 | 41% | 0.405 | S | S | . | . | trans | -81.2 | 154.8 | -177.3 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | R34 S35 Y36 | S32-R34 PolarHBondContact O-N 2.96Å; S32-S35 WeakPolarHBondContact O-CA 3.45Å; S32-S35 WeakPolarHBondContact O-CB 3.47Å; S32-S35 PolarHBondContact O-N 3.11Å; S32-Y36 PolarHBondContact O-N 2.77Å | ||
| 33 | T | 81 | Confident | 81.3 | Confident | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.012 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.6 | -37.9 | 179.8 | -53.3 | 0 | 0 | 0 | 0 | 112.5 | S35 Y36 V37 I73 R76 D78 Y86 | T33-S35 VanDerWaalsContact C-N 3.35Å; T33-S35 PolarHBondContact O-N 3.45Å; T33-Y36 PolarHBondContact O-N 2.97Å; T33-V37 WeakPolarHBondContact O-CG2 3.42Å; T33-V37 PolarHBondContact O-N 2.62Å; T33-I73 HydrophobicContact CG2-CG2 4.26Å; T33-R76 WeakPolarHBondContact OG1-CD 3.22Å; T33-R76 PolarHBondContact OG1-NE 3.13Å; T33-D78 WeakPolarHBondContact CB-OD2 3.26Å; T33-D78 HydrophobicContact CG2-CB 4.45Å; T33-D78 PolarHBondContact OG1-OD2 3.05Å; T33-Y86 HydrophobicContact CG2-CE1 4.21Å; T33-Y86 HydrophobicContact CG2-CE2 4.48Å |
| 34 | R | 81.3 | Confident | 81.8 | Confident | 149 Ų | 149 | 74.3 Ų | 74.3 | 56% | 0.562 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.7 | -34.6 | 175.3 | -163.1 | 176.6 | -170.2 | 177.9 | 2.9 | 113.1 | S32 V37 Q38 | S32-R34 PolarHBondContact O-N 2.96Å; R34-V37 PolarHBondContact O-N 3.09Å; R34-Q38 WeakPolarHBondContact O-CG 3.49Å; R34-Q38 PolarHBondContact O-N 3.43Å; R34-Q38 VanDerWaalsContact O-N 3.1Å |
| 35 | S | 82.1 | Confident | 82.1 | Confident | 41 Ų | 41 | 80.8 Ų | 80.8 | 29% | 0.287 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 175.5 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | S32 T33 Q38 S39 | S32-S35 WeakPolarHBondContact O-CA 3.45Å; S32-S35 WeakPolarHBondContact O-CB 3.47Å; S32-S35 PolarHBondContact O-N 3.11Å; T33-S35 VanDerWaalsContact C-N 3.35Å; T33-S35 PolarHBondContact O-N 3.45Å; S35-Q38 PolarHBondContact O-N 3.46Å; S35-S39 WeakPolarHBondContact O-CB 3.43Å; S35-S39 PolarHBondContact O-N 3.22Å; S35-S39 PolarHBondContact O-OG 2.87Å |
| 36 | Y | 86.3 | Confident | 82.6 | Confident | 13 Ų | 13 | 75.7 Ų | 75.7 | 5% | 0.051 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 173.3 | -80.6 | -71.1 | 0 | 0 | 0 | 112.4 | D29 T31 S32 T33 S39 A40 V69 I72 | D29-Y36 PolarHBondContact N-OH 2.74Å; D29-Y36 PolarHBondContact O-OH 3.33Å; T31-Y36 WeakPolarHBondContact OG1-CE2 3.34Å; S32-Y36 PolarHBondContact O-N 2.77Å; T33-Y36 PolarHBondContact O-N 2.97Å; Y36-S39 WeakPolarHBondContact O-CB 3.44Å; Y36-S39 PolarHBondContact O-N 2.85Å; Y36-S39 VanDerWaalsContact O-N 3.15Å; Y36-A40 PolarHBondContact O-N 3.19Å; Y36-V69 HydrophobicContact CD1-CG1 3.96Å; Y36-V69 WeakPolarHBondContact O-CG1 3.16Å; Y36-I72 HydrophobicContact CD1-CG2 4.26Å; Y36-I72 HydrophobicContact CD2-CG2 4.49Å; Y36-I72 HydrophobicContact CE1-CG2 3.96Å; Y36-I72 HydrophobicContact CE2-CG2 4.22Å; Y36-I72 HydrophobicContact CG-CG2 4.5Å |
| 37 | V | 85.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | T33 R34 S39 A40 C41 I73 Y86 M89 L90 | T33-V37 WeakPolarHBondContact O-CG2 3.42Å; T33-V37 PolarHBondContact O-N 2.62Å; R34-V37 PolarHBondContact O-N 3.09Å; V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 3.38Å; V37-A40 PolarHBondContact O-N 2.82Å; V37-C41 PolarHBondContact O-N 2.77Å; V37-C41 PolarHBondContact O-SG 2.68Å; V37-I73 HydrophobicContact CG2-CD1 3.79Å; V37-I73 HydrophobicContact CG2-CG1 4.29Å; V37-I73 HydrophobicContact CG2-CG2 4.21Å; V37-Y86 HydrophobicContact CG2-CD1 3.97Å; V37-M89 HydrophobicContact CB-SD 4.46Å; V37-M89 HydrophobicContact CG1-CB 4.04Å; V37-M89 HydrophobicContact CG1-CG 3.73Å; V37-M89 HydrophobicContact CG1-SD 3.59Å; V37-M89 VanDerWaalsContact CG1-SD 3.59Å; V37-L90 HydrophobicContact CB-CD2 4.36Å; V37-L90 HydrophobicContact CG1-CD2 3.91Å; V37-L90 HydrophobicContact CG1-CG 4.01Å; V37-L90 HydrophobicContact CG2-CD1 4.42Å; V37-L90 HydrophobicContact CG2-CD2 4.35Å; V37-L90 HydrophobicContact CG2-CG 4.35Å |
| 38 | Q | 85.7 | Confident | 83.9 | Confident | 111 Ų | 111 | 65.8 Ų | 65.8 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -36.3 | 174 | -72.8 | 179.7 | -7.9 | 0 | 0 | 112.8 | R34 S35 K42 | R34-Q38 WeakPolarHBondContact O-CG 3.49Å; R34-Q38 PolarHBondContact O-N 3.43Å; R34-Q38 VanDerWaalsContact O-N 3.1Å; S35-Q38 PolarHBondContact O-N 3.46Å; Q38-K42 WeakPolarHBondContact O-CG 3.27Å; Q38-K42 PolarHBondContact O-N 2.82Å |
| 39 | S | 88.5 | Confident | 84.9 | Confident | 47 Ų | 47 | 67 Ų | 67 | 33% | 0.329 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69 | -42.5 | 177 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | S35 Y36 V37 K42 L43 | S35-S39 WeakPolarHBondContact O-CB 3.43Å; S35-S39 PolarHBondContact O-N 3.22Å; S35-S39 PolarHBondContact O-OG 2.87Å; Y36-S39 WeakPolarHBondContact O-CB 3.44Å; Y36-S39 PolarHBondContact O-N 2.85Å; Y36-S39 VanDerWaalsContact O-N 3.15Å; V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 3.38Å; S39-K42 PolarHBondContact O-N 2.94Å; S39-L43 WeakPolarHBondContact O-CG 3.35Å; S39-L43 PolarHBondContact O-N 3.18Å |
| 40 | A | 88.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y36 V37 K42 L43 F44 Y66 V69 I73 L90 | Y36-A40 PolarHBondContact O-N 3.19Å; V37-A40 PolarHBondContact O-N 2.82Å; A40-K42 PolarHBondContact O-N 2.7Å; A40-L43 PolarHBondContact O-N 3.04Å; A40-L43 VanDerWaalsContact O-N 3.16Å; A40-F44 PolarHBondContact O-N 2.95Å; A40-Y66 HydrophobicContact CB-CD2 3.81Å; A40-Y66 HydrophobicContact CB-CE2 3.83Å; A40-Y66 VanDerWaalsContact O-CD2 3.3Å; A40-Y66 WeakPolarHBondContact O-CD2 3.09Å; A40-V69 HydrophobicContact CB-CG1 3.9Å; A40-I73 HydrophobicContact CB-CD1 4.32Å; A40-L90 HydrophobicContact CB-CD2 3.58Å |
| 41 | C | 87.9 | Confident | 87.3 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 27% | 0.27 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -29.6 | 178.4 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | V37 K45 M89 | V37-C41 PolarHBondContact O-N 2.77Å; V37-C41 PolarHBondContact O-SG 2.68Å; C41-K45 WeakPolarHBondContact O-CG 3.36Å; C41-K45 PolarHBondContact O-N 3.5Å; C41-M89 PolarHBondContact SG-O 2.88Å; C41-M89 VanDerWaalsContact SG-O 3.42Å |
| 42 | K | 90.4 | Very high | 88 | Confident | 155 Ų | 155 | 56.8 Ų | 56.8 | 67% | 0.674 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -74.1 | -46.5 | 172.1 | -72.5 | 174.6 | 179.4 | -179.8 | 0 | 112 | Q38 S39 A40 F44 K45 A46 | Q38-K42 WeakPolarHBondContact O-CG 3.27Å; Q38-K42 PolarHBondContact O-N 2.82Å; S39-K42 PolarHBondContact O-N 2.94Å; A40-K42 PolarHBondContact O-N 2.7Å; K42-F44 PolarHBondContact O-N 2.96Å; K42-K45 PolarHBondContact O-N 2.81Å; K42-A46 WeakPolarHBondContact O-CB 3.21Å; K42-A46 PolarHBondContact O-N 2.82Å |
| 43 | L | 91.8 | Very high | 88.1 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 178.6 | -73.3 | 166.2 | 0 | 0 | 0 | 111.9 | I26 S39 A40 A46 A47 L62 K65 V69 | I26-L43 HydrophobicContact CD1-CD1 4.49Å; S39-L43 WeakPolarHBondContact O-CG 3.35Å; S39-L43 PolarHBondContact O-N 3.18Å; A40-L43 PolarHBondContact O-N 3.04Å; A40-L43 VanDerWaalsContact O-N 3.16Å; L43-A46 PolarHBondContact O-N 2.85Å; L43-A47 WeakPolarHBondContact O-CB 3.43Å; L43-A47 PolarHBondContact O-N 3.37Å; L43-L62 HydrophobicContact CD2-CD2 3.78Å; L43-K65 HydrophobicContact CD1-CB 4.1Å; L43-K65 HydrophobicContact CD2-CB 4.06Å; L43-V69 HydrophobicContact CD1-CG2 4.02Å |
| 44 | F | 91.9 | Very high | 88.4 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 179.1 | -173.2 | -98.2 | 0 | 0 | 0 | 112.5 | A40 K42 A47 E48 Y63 Y66 S94 K97 A98 | A40-F44 PolarHBondContact O-N 2.95Å; K42-F44 PolarHBondContact O-N 2.96Å; F44-A47 WeakPolarHBondContact O-CB 3.37Å; F44-A47 PolarHBondContact O-N 3.02Å; F44-E48 HydrophobicContact CD1-CG 4.42Å; F44-E48 HydrophobicContact CE1-CG 4.11Å; F44-E48 HydrophobicContact CZ-CG 4.44Å; F44-E48 WeakPolarHBondContact O-CG 3.49Å; F44-E48 PolarHBondContact O-N 2.84Å; F44-Y63 HydrophobicContact CD2-CD1 4.42Å; F44-Y63 HydrophobicContact CD2-CE1 4.17Å; F44-Y63 HydrophobicContact CE2-CE1 4.02Å; F44-Y66 HydrophobicContact CB-CD2 3.77Å; F44-Y66 HydrophobicContact CB-CE2 3.92Å; F44-Y66 HydrophobicContact CB-CG 4.3Å; F44-Y66 HydrophobicContact CD2-CD1 4.24Å; F44-Y66 HydrophobicContact CD2-CD2 4.41Å; F44-Y66 HydrophobicContact CD2-CE1 4.14Å; F44-Y66 HydrophobicContact CD2-CE2 4.31Å; F44-Y66 HydrophobicContact CD2-CG 4.37Å; F44-Y66 HydrophobicContact CG-CE2 4.4Å; F44-S94 VanDerWaalsContact CE2-O 3.23Å; F44-S94 WeakPolarHBondContact CE2-O 3.06Å; F44-K97 HydrophobicContact CZ-CD 4.34Å; F44-A98 HydrophobicContact CD2-CB 4.21Å; F44-A98 HydrophobicContact CE2-CB 4.02Å |
| 45 | K | 91.6 | Very high | 88.9 | Confident | 140 Ų | 140 | 57.5 Ų | 57.5 | 61% | 0.609 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 175.9 | -73.2 | -178.1 | 177.7 | -169.9 | 0 | 112.1 | C41 K42 A47 E48 E49 | C41-K45 WeakPolarHBondContact O-CG 3.36Å; C41-K45 PolarHBondContact O-N 3.5Å; K42-K45 PolarHBondContact O-N 2.81Å; K45-A47 VanDerWaalsContact C-N 3.27Å; K45-A47 PolarHBondContact O-N 2.81Å; K45-E48 PolarHBondContact O-N 2.91Å; K45-E49 WeakPolarHBondContact O-CG 3.41Å; K45-E49 PolarHBondContact O-N 3.37Å |
| 46 | A | 90.9 | Very high | 89.4 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -32.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K42 L43 C50 L62 | K42-A46 WeakPolarHBondContact O-CB 3.21Å; K42-A46 PolarHBondContact O-N 2.82Å; L43-A46 PolarHBondContact O-N 2.85Å; A46-C50 WeakPolarHBondContact O-CB 3.33Å; A46-C50 PolarHBondContact O-N 2.8Å; A46-C50 PolarHBondContact O-SG 2.83Å; A46-L62 HydrophobicContact CB-CD1 3.94Å |
| 47 | A | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L43 F44 K45 C50 R51 L62 Y63 | L43-A47 WeakPolarHBondContact O-CB 3.43Å; L43-A47 PolarHBondContact O-N 3.37Å; F44-A47 WeakPolarHBondContact O-CB 3.37Å; F44-A47 PolarHBondContact O-N 3.02Å; K45-A47 VanDerWaalsContact C-N 3.27Å; K45-A47 PolarHBondContact O-N 2.81Å; A47-C50 PolarHBondContact O-N 2.84Å; A47-R51 VanDerWaalsContact O-CB 3.32Å; A47-R51 WeakPolarHBondContact O-CB 3.31Å; A47-R51 PolarHBondContact O-N 2.84Å; A47-L62 HydrophobicContact CB-CB 3.67Å; A47-Y63 HydrophobicContact CB-CD1 3.66Å; A47-Y63 HydrophobicContact CB-CD2 3.89Å; A47-Y63 HydrophobicContact CB-CE1 3.62Å; A47-Y63 HydrophobicContact CB-CE2 3.83Å; A47-Y63 HydrophobicContact CB-CG 3.8Å |
| 48 | E | 92.3 | Very high | 90 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 174.4 | -70 | -67.1 | 146.8 | 0 | 0 | 112.5 | F44 K45 R51 L52 Y63 K97 | F44-E48 HydrophobicContact CD1-CG 4.42Å; F44-E48 HydrophobicContact CE1-CG 4.11Å; F44-E48 HydrophobicContact CZ-CG 4.44Å; F44-E48 WeakPolarHBondContact O-CG 3.49Å; F44-E48 PolarHBondContact O-N 2.84Å; K45-E48 PolarHBondContact O-N 2.91Å; E48-R51 PolarHBondContact O-N 3.44Å; E48-R51 IonicContact OE1-NE 3.92Å; E48-R51 IonicContact OE2-CZ 3.35Å; E48-R51 IonicContact OE2-NE 2.64Å; E48-R51 PolarHBondContact OE2-NE 3.18Å; E48-R51 IonicContact OE2-NH2 2.67Å; E48-R51 PolarHBondContact OE2-NH2 2.9Å; E48-L52 WeakPolarHBondContact O-CG 3.35Å; E48-L52 PolarHBondContact O-N 2.96Å; E48-Y63 PolarHBondContact OE1-OH 3.49Å; E48-K97 WeakPolarHBondContact OE1-CE 3.38Å; E48-K97 IonicContact OE1-NZ 3.59Å; E48-K97 PolarHBondContact OE1-NZ 2.96Å; E48-K97 IonicContact OE2-NZ 3.88Å; E48-K97 PolarHBondContact OE2-NZ 3.21Å |
| 49 | E | 90.8 | Very high | 90.4 | Very high | 124 Ų | 124 | 55.4 Ų | 55.4 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.5 | -48.8 | 174.8 | -72.2 | 163.3 | -171.3 | 0 | 0 | 111 | K45 R51 L52 D53 | K45-E49 WeakPolarHBondContact O-CG 3.41Å; K45-E49 PolarHBondContact O-N 3.37Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 2.87Å; E49-L52 PolarHBondContact O-N 2.88Å; E49-D53 WeakPolarHBondContact O-CB 3.21Å; E49-D53 PolarHBondContact O-N 2.75Å |
| 50 | C | 89.9 | Confident | 90.6 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -35.3 | 176.4 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | A46 A47 D53 R54 D55 K58 A59 L62 | A46-C50 WeakPolarHBondContact O-CB 3.33Å; A46-C50 PolarHBondContact O-N 2.8Å; A46-C50 PolarHBondContact O-SG 2.83Å; A47-C50 PolarHBondContact O-N 2.84Å; C50-D53 CarbonylContact O-C 3.53Å; C50-D53 PolarHBondContact O-N 3.39Å; C50-R54 PolarHBondContact O-N 2.94Å; C50-D55 HydrophobicContact CB-CB 4.13Å; C50-D55 WeakPolarHBondContact O-CB 3.28Å; C50-D55 PolarHBondContact O-N 3.04Å; C50-K58 HydrophobicContact CB-CB 4.46Å; C50-K58 HydrophobicContact CB-CG 4.48Å; C50-K58 VanDerWaalsContact SG-CD 3.52Å; C50-K58 WeakPolarHBondContact SG-CE 3.16Å; C50-A59 HydrophobicContact CB-CB 3.88Å; C50-L62 HydrophobicContact CB-CD1 4.5Å |
| 51 | R | 89.8 | Confident | 90.9 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 176.3 | -170.8 | -176.7 | 63.4 | 79 | 21.5 | 112.1 | A47 E48 E49 R54 A59 Y63 E101 | A47-R51 VanDerWaalsContact O-CB 3.32Å; A47-R51 WeakPolarHBondContact O-CB 3.31Å; A47-R51 PolarHBondContact O-N 2.84Å; E48-R51 PolarHBondContact O-N 3.44Å; E48-R51 IonicContact OE1-NE 3.92Å; E48-R51 IonicContact OE2-CZ 3.35Å; E48-R51 IonicContact OE2-NE 2.64Å; E48-R51 PolarHBondContact OE2-NE 3.18Å; E48-R51 IonicContact OE2-NH2 2.67Å; E48-R51 PolarHBondContact OE2-NH2 2.9Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 2.87Å; R51-R54 PolarHBondContact O-N 2.82Å; R51-A59 HydrophobicContact CB-CB 4.22Å; R51-Y63 WeakPolarHBondContact CD-OH 3.37Å; R51-Y63 PolarHBondContact NE-OH 3.39Å; R51-E101 VanDerWaalsContact CD-CD 3.48Å; R51-E101 WeakPolarHBondContact CD-OE1 3.49Å; R51-E101 IonicContact CZ-OE1 2.84Å; R51-E101 IonicContact NE-OE1 3.52Å; R51-E101 PolarHBondContact NE-OE1 3.44Å; R51-E101 IonicContact NH1-OE1 2.69Å; R51-E101 PolarHBondContact NH1-OE1 3.09Å |
| 52 | L | 87.8 | Confident | 91.2 | Very high | 109 Ų | 109 | 53.9 Ų | 53.9 | 57% | 0.571 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -68.7 | -39.7 | 173.2 | -70.5 | 169.5 | 0 | 0 | 0 | 111.9 | E48 E49 R54 | E48-L52 WeakPolarHBondContact O-CG 3.35Å; E48-L52 PolarHBondContact O-N 2.96Å; E49-L52 PolarHBondContact O-N 2.88Å; L52-R54 PolarHBondContact O-N 3.19Å; L52-R54 VanDerWaalsContact O-N 3.16Å |
| 53 | D | 84.3 | Confident | 91.3 | Very high | 87 Ų | 87 | 46.5 Ų | 46.5 | 47% | 0.465 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -4.3 | 172.7 | -92.4 | 16.4 | 0 | 0 | 0 | 114.4 | K9 E49 C50 D55 | K9-D53 VanDerWaalsContact CE-O 3.22Å; K9-D53 WeakPolarHBondContact CE-O 3.44Å; K9-D53 IonicContact NZ-OD2 2.61Å; E49-D53 WeakPolarHBondContact O-CB 3.21Å; E49-D53 PolarHBondContact O-N 2.75Å; C50-D53 CarbonylContact O-C 3.53Å; C50-D53 PolarHBondContact O-N 3.39Å; D53-D55 VanDerWaalsContact C-N 3.26Å; D53-D55 HydrophobicContact CB-CB 4.34Å; D53-D55 PolarHBondContact O-N 3.06Å |
| 54 | R | 85.8 | Confident | 91.4 | Very high | 144 Ų | 144 | 47.3 Ų | 47.3 | 54% | 0.543 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 36.1 | -173.5 | -52.6 | -60 | -164.3 | 142 | 3.2 | 113.8 | G7 K9 C50 R51 L52 E56 | G7-R54 WeakPolarHBondContact O-CB 3.48Å; K9-R54 PolarHBondContact N-O 2.67Å; C50-R54 PolarHBondContact O-N 2.94Å; R51-R54 PolarHBondContact O-N 2.82Å; L52-R54 PolarHBondContact O-N 3.19Å; L52-R54 VanDerWaalsContact O-N 3.16Å; R54-E56 PolarHBondContact O-N 2.87Å |
| 55 | D | 92.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | trans | -96.7 | 75.6 | 178.6 | -159.6 | -31.6 | 0 | 0 | 0 | 110.2 | K9 C50 D53 K58 A59 | K9-D55 HydrophobicContact CD-CB 3.86Å; K9-D55 IonicContact NZ-OD2 2.71Å; K9-D55 PolarHBondContact NZ-OD2 2.82Å; C50-D55 HydrophobicContact CB-CB 4.13Å; C50-D55 WeakPolarHBondContact O-CB 3.28Å; C50-D55 PolarHBondContact O-N 3.04Å; D53-D55 VanDerWaalsContact C-N 3.26Å; D53-D55 HydrophobicContact CB-CB 4.34Å; D53-D55 PolarHBondContact O-N 3.06Å; D55-K58 HydrophobicContact CB-CB 4.35Å; D55-K58 PolarHBondContact O-N 2.96Å; D55-K58 WeakPolarHBondContact OD1-CB 3.42Å; D55-A59 VanDerWaalsContact O-CB 3.26Å; D55-A59 WeakPolarHBondContact O-CB 3.41Å; D55-A59 PolarHBondContact O-N 3.26Å | ||
| 56 | E | 91.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 42 Ų | 42 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -47 | -165.7 | -64.5 | -177.5 | 126.1 | 0 | 0 | 113.2 | R54 K58 Y60 L105 S108 L109 R112 | R54-E56 PolarHBondContact O-N 2.87Å; E56-K58 VanDerWaalsContact C-N 3.35Å; E56-K58 PolarHBondContact O-N 3.4Å; E56-Y60 VanDerWaalsContact O-CB 3.31Å; E56-Y60 WeakPolarHBondContact O-CB 3.35Å; E56-Y60 PolarHBondContact O-N 2.86Å; E56-L105 HydrophobicContact CB-CD2 3.82Å; E56-L105 HydrophobicContact CG-CD2 3.87Å; E56-S108 PolarHBondContact OE1-OG 2.99Å; E56-L109 HydrophobicContact CB-CD2 3.91Å; E56-L109 HydrophobicContact CB-CG 4.31Å; E56-R112 IonicContact OE2-CZ 3.11Å; E56-R112 IonicContact OE2-NH1 3.85Å; E56-R112 PolarHBondContact OE2-NH1 2.7Å |
| 57 | E | 92.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 178.5 | -69.1 | -177.7 | 113.8 | 0 | 0 | 111.7 | L11 Y12 L13 S14 L20 Y60 V61 L109 Y113 | L11-E57 WeakPolarHBondContact CA-OE2 3.33Å; L11-E57 HydrophobicContact CD2-CG 3.64Å; Y12-E57 WeakPolarHBondContact CD1-OE2 3.27Å; Y12-E57 PolarHBondContact N-OE2 3.03Å; L13-E57 HydrophobicContact CB-CB 4.11Å; L13-E57 HydrophobicContact CD1-CB 3.77Å; L13-E57 HydrophobicContact CG-CB 4.35Å; L13-E57 PolarHBondContact N-OE1 2.76Å; L13-E57 PolarHBondContact N-OE2 3.49Å; S14-E57 PolarHBondContact N-OE1 3.12Å; L20-E57 HydrophobicContact CD1-CB 4.32Å; L20-E57 HydrophobicContact CD1-CG 4.2Å; L20-E57 HydrophobicContact CD2-CB 4.05Å; L20-E57 HydrophobicContact CD2-CG 4.3Å; E57-Y60 PolarHBondContact O-N 2.82Å; E57-V61 WeakPolarHBondContact O-CG2 3.28Å; E57-V61 PolarHBondContact O-N 2.83Å; E57-L109 HydrophobicContact CB-CD2 4.43Å; E57-L109 HydrophobicContact CG-CD2 3.65Å; E57-Y113 PolarHBondContact OE1-OH 3.46Å |
| 58 | K | 92.7 | Very high | 91.3 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 35% | 0.352 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -73.8 | -40.2 | -176.3 | -168.7 | -178.2 | 169.5 | -158.9 | 0 | 111.5 | L13 C50 D55 E56 L62 | L13-K58 HydrophobicContact CD1-CB 3.79Å; L13-K58 HydrophobicContact CD1-CG 4.37Å; C50-K58 HydrophobicContact CB-CB 4.46Å; C50-K58 HydrophobicContact CB-CG 4.48Å; C50-K58 VanDerWaalsContact SG-CD 3.52Å; C50-K58 WeakPolarHBondContact SG-CE 3.16Å; D55-K58 HydrophobicContact CB-CB 4.35Å; D55-K58 PolarHBondContact O-N 2.96Å; D55-K58 WeakPolarHBondContact OD1-CB 3.42Å; E56-K58 VanDerWaalsContact C-N 3.35Å; E56-K58 PolarHBondContact O-N 3.4Å; K58-L62 HydrophobicContact CG-CD1 4.17Å; K58-L62 WeakPolarHBondContact O-CB 3.29Å; K58-L62 WeakPolarHBondContact O-CD1 3.45Å; K58-L62 VanDerWaalsContact O-CG 3.24Å; K58-L62 WeakPolarHBondContact O-CG 3.35Å; K58-L62 PolarHBondContact O-N 3.48Å |
| 59 | A | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | C50 R51 D55 V61 L62 Y63 L105 | C50-A59 HydrophobicContact CB-CB 3.88Å; R51-A59 HydrophobicContact CB-CB 4.22Å; D55-A59 VanDerWaalsContact O-CB 3.26Å; D55-A59 WeakPolarHBondContact O-CB 3.41Å; D55-A59 PolarHBondContact O-N 3.26Å; A59-V61 PolarHBondContact O-N 3.44Å; A59-L62 PolarHBondContact O-N 2.94Å; A59-Y63 HydrophobicContact CB-CE2 4.32Å; A59-Y63 WeakPolarHBondContact O-CD2 3.34Å; A59-Y63 PolarHBondContact O-N 3.36Å; A59-L105 HydrophobicContact CB-CD1 3.78Å |
| 60 | Y | 94.4 | Very high | 91 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 178.3 | -179.9 | -109.3 | 0 | 0 | 0 | 112.3 | L17 L20 N21 E56 E57 L62 Y63 M64 A102 L105 L109 | L17-Y60 HydrophobicContact CD1-CD1 4.13Å; L17-Y60 HydrophobicContact CD1-CE1 3.5Å; L20-Y60 HydrophobicContact CB-CD1 4.15Å; L20-Y60 HydrophobicContact CB-CE1 4.24Å; L20-Y60 HydrophobicContact CD1-CD1 3.93Å; N21-Y60 WeakPolarHBondContact OD1-CE1 3.12Å; N21-Y60 PolarHBondContact OD1-OH 2.99Å; E56-Y60 VanDerWaalsContact O-CB 3.31Å; E56-Y60 WeakPolarHBondContact O-CB 3.35Å; E56-Y60 PolarHBondContact O-N 2.86Å; E57-Y60 PolarHBondContact O-N 2.82Å; Y60-L62 VanDerWaalsContact C-N 3.26Å; Y60-L62 PolarHBondContact O-N 3.4Å; Y60-Y63 PolarHBondContact O-N 3.23Å; Y60-M64 HydrophobicContact CD1-CG 4.34Å; Y60-M64 HydrophobicContact CD2-CG 4.13Å; Y60-M64 HydrophobicContact CE1-CG 3.97Å; Y60-M64 HydrophobicContact CE2-CG 3.71Å; Y60-M64 HydrophobicContact CE2-SD 4.08Å; Y60-M64 HydrophobicContact CG-CG 4.43Å; Y60-M64 WeakPolarHBondContact O-CB 3.45Å; Y60-M64 WeakPolarHBondContact O-CG 3.38Å; Y60-M64 PolarHBondContact O-N 3.31Å; Y60-A102 HydrophobicContact CD2-CB 4.39Å; Y60-A102 WeakPolarHBondContact CD2-O 3.23Å; Y60-A102 HydrophobicContact CE2-CB 4.35Å; Y60-A102 VanDerWaalsContact CE2-O 3.3Å; Y60-A102 WeakPolarHBondContact CE2-O 3.39Å; Y60-L105 HydrophobicContact CD2-CB 4.03Å; Y60-L109 HydrophobicContact CD1-CD1 4.1Å; Y60-L109 HydrophobicContact CG-CD1 3.84Å |
| 61 | V | 94.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 10% | 0.097 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -35.4 | 177.5 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | L20 A24 E57 A59 K65 | L20-V61 HydrophobicContact CB-CG2 4.07Å; L20-V61 HydrophobicContact CD2-CG2 3.82Å; L20-V61 HydrophobicContact CG-CG2 4.47Å; A24-V61 HydrophobicContact CB-CG1 4.47Å; E57-V61 WeakPolarHBondContact O-CG2 3.28Å; E57-V61 PolarHBondContact O-N 2.83Å; A59-V61 PolarHBondContact O-N 3.44Å; V61-K65 HydrophobicContact CG1-CD 4.19Å; V61-K65 WeakPolarHBondContact O-CB 3.47Å; V61-K65 WeakPolarHBondContact O-CG 3.4Å; V61-K65 PolarHBondContact O-N 3.27Å |
| 62 | L | 93.3 | Very high | 90.8 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.1 | -38.4 | 178 | -70.1 | 168.1 | 0 | 0 | 0 | 112.9 | L43 A46 A47 C50 K58 A59 Y60 K65 Y66 | L43-L62 HydrophobicContact CD2-CD2 3.78Å; A46-L62 HydrophobicContact CB-CD1 3.94Å; A47-L62 HydrophobicContact CB-CB 3.67Å; C50-L62 HydrophobicContact CB-CD1 4.5Å; K58-L62 HydrophobicContact CG-CD1 4.17Å; K58-L62 WeakPolarHBondContact O-CB 3.29Å; K58-L62 WeakPolarHBondContact O-CD1 3.45Å; K58-L62 VanDerWaalsContact O-CG 3.24Å; K58-L62 WeakPolarHBondContact O-CG 3.35Å; K58-L62 PolarHBondContact O-N 3.48Å; A59-L62 PolarHBondContact O-N 2.94Å; Y60-L62 VanDerWaalsContact C-N 3.26Å; Y60-L62 PolarHBondContact O-N 3.4Å; L62-K65 PolarHBondContact O-N 3.39Å; L62-Y66 WeakPolarHBondContact O-CB 3.46Å; L62-Y66 PolarHBondContact O-N 3.31Å |
| 63 | Y | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 171.4 | -72.5 | -63.3 | 0 | 0 | 0 | 111.6 | F44 A47 E48 R51 A59 Y60 K65 Y66 L67 A98 E101 L105 | F44-Y63 HydrophobicContact CD2-CD1 4.42Å; F44-Y63 HydrophobicContact CD2-CE1 4.17Å; F44-Y63 HydrophobicContact CE2-CE1 4.02Å; A47-Y63 HydrophobicContact CB-CD1 3.66Å; A47-Y63 HydrophobicContact CB-CD2 3.89Å; A47-Y63 HydrophobicContact CB-CE1 3.62Å; A47-Y63 HydrophobicContact CB-CE2 3.83Å; A47-Y63 HydrophobicContact CB-CG 3.8Å; E48-Y63 PolarHBondContact OE1-OH 3.49Å; R51-Y63 WeakPolarHBondContact CD-OH 3.37Å; R51-Y63 PolarHBondContact NE-OH 3.39Å; A59-Y63 HydrophobicContact CB-CE2 4.32Å; A59-Y63 WeakPolarHBondContact O-CD2 3.34Å; A59-Y63 PolarHBondContact O-N 3.36Å; Y60-Y63 PolarHBondContact O-N 3.23Å; Y63-K65 VanDerWaalsContact C-N 3.3Å; Y63-K65 PolarHBondContact O-N 2.75Å; Y63-Y66 WeakPolarHBondContact O-CB 3.44Å; Y63-Y66 PolarHBondContact O-N 2.77Å; Y63-Y66 VanDerWaalsContact O-N 3.09Å; Y63-L67 WeakPolarHBondContact O-CG 3.17Å; Y63-L67 PolarHBondContact O-N 3.11Å; Y63-A98 HydrophobicContact CD1-CB 3.88Å; Y63-A98 HydrophobicContact CE1-CB 4.49Å; Y63-E101 HydrophobicContact CE2-CB 3.99Å; Y63-L105 HydrophobicContact CD2-CD1 3.91Å; Y63-L105 HydrophobicContact CE2-CD1 3.99Å |
| 64 | M | 92.7 | Very high | 90.7 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 25% | 0.251 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63 | -35.3 | 176.7 | -69.4 | -64.1 | -76.2 | 0 | 0 | 112.2 | A24 Y60 L67 T68 A102 | A24-M64 HydrophobicContact CB-CB 3.54Å; Y60-M64 HydrophobicContact CD1-CG 4.34Å; Y60-M64 HydrophobicContact CD2-CG 4.13Å; Y60-M64 HydrophobicContact CE1-CG 3.97Å; Y60-M64 HydrophobicContact CE2-CG 3.71Å; Y60-M64 HydrophobicContact CE2-SD 4.08Å; Y60-M64 HydrophobicContact CG-CG 4.43Å; Y60-M64 WeakPolarHBondContact O-CB 3.45Å; Y60-M64 WeakPolarHBondContact O-CG 3.38Å; Y60-M64 PolarHBondContact O-N 3.31Å; M64-L67 HydrophobicContact SD-CD1 4.28Å; M64-T68 WeakPolarHBondContact O-CB 3.5Å; M64-T68 PolarHBondContact O-N 2.85Å; M64-T68 PolarHBondContact O-OG1 2.91Å; M64-A102 HydrophobicContact SD-CB 4.43Å |
| 65 | K | 92.3 | Very high | 90.7 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 24% | 0.243 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 170.3 | -80.3 | -178.8 | -178.4 | -175.3 | 0 | 112.8 | K23 A24 I26 L43 V61 L62 Y63 T68 V69 | K23-K65 WeakPolarHBondContact O-CE 3.34Å; K23-K65 PolarHBondContact O-NZ 3.21Å; A24-K65 HydrophobicContact CB-CG 4.47Å; A24-K65 VanDerWaalsContact O-CG 3.22Å; A24-K65 WeakPolarHBondContact O-CG 3.43Å; I26-K65 HydrophobicContact CD1-CB 3.7Å; I26-K65 HydrophobicContact CD1-CD 4.1Å; I26-K65 HydrophobicContact CD1-CG 3.64Å; I26-K65 HydrophobicContact CG1-CD 4.39Å; I26-K65 HydrophobicContact CG1-CG 4.05Å; L43-K65 HydrophobicContact CD1-CB 4.1Å; L43-K65 HydrophobicContact CD2-CB 4.06Å; V61-K65 HydrophobicContact CG1-CD 4.19Å; V61-K65 WeakPolarHBondContact O-CB 3.47Å; V61-K65 WeakPolarHBondContact O-CG 3.4Å; V61-K65 PolarHBondContact O-N 3.27Å; L62-K65 PolarHBondContact O-N 3.39Å; Y63-K65 VanDerWaalsContact C-N 3.3Å; Y63-K65 PolarHBondContact O-N 2.75Å; K65-T68 PolarHBondContact O-N 2.96Å; K65-V69 WeakPolarHBondContact O-CG2 3.42Å; K65-V69 PolarHBondContact O-N 3.26Å |
| 66 | Y | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 175.4 | 167.7 | -94.6 | 0 | 0 | 0 | 111.7 | A40 F44 L62 Y63 T68 V69 Y70 S94 F95 A98 | A40-Y66 HydrophobicContact CB-CD2 3.81Å; A40-Y66 HydrophobicContact CB-CE2 3.83Å; A40-Y66 VanDerWaalsContact O-CD2 3.3Å; A40-Y66 WeakPolarHBondContact O-CD2 3.09Å; F44-Y66 HydrophobicContact CB-CD2 3.77Å; F44-Y66 HydrophobicContact CB-CE2 3.92Å; F44-Y66 HydrophobicContact CB-CG 4.3Å; F44-Y66 HydrophobicContact CD2-CD1 4.24Å; F44-Y66 HydrophobicContact CD2-CD2 4.41Å; F44-Y66 HydrophobicContact CD2-CE1 4.14Å; F44-Y66 HydrophobicContact CD2-CE2 4.31Å; F44-Y66 HydrophobicContact CD2-CG 4.37Å; F44-Y66 HydrophobicContact CG-CE2 4.4Å; L62-Y66 WeakPolarHBondContact O-CB 3.46Å; L62-Y66 PolarHBondContact O-N 3.31Å; Y63-Y66 WeakPolarHBondContact O-CB 3.44Å; Y63-Y66 PolarHBondContact O-N 2.77Å; Y63-Y66 VanDerWaalsContact O-N 3.09Å; Y66-T68 PolarHBondContact O-N 3.45Å; Y66-V69 PolarHBondContact O-N 3.23Å; Y66-Y70 WeakPolarHBondContact O-CB 3.3Å; Y66-Y70 PolarHBondContact O-N 2.69Å; Y66-S94 VanDerWaalsContact OH-CB 3.32Å; Y66-S94 WeakPolarHBondContact OH-CB 3.41Å; Y66-F95 PolarHBondContact OH-N 3.32Å; Y66-A98 HydrophobicContact CD1-CB 3.45Å; Y66-A98 VanDerWaalsContact CD1-CB 3.45Å; Y66-A98 HydrophobicContact CE1-CB 3.52Å |
| 67 | L | 90.6 | Very high | 89.7 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 17% | 0.168 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.5 | -65.4 | 173.6 | 0 | 0 | 0 | 111.4 | Y63 M64 V69 Y70 D71 F95 A98 I99 A102 | Y63-L67 WeakPolarHBondContact O-CG 3.17Å; Y63-L67 PolarHBondContact O-N 3.11Å; M64-L67 HydrophobicContact SD-CD1 4.28Å; L67-V69 PolarHBondContact O-N 3.28Å; L67-Y70 WeakPolarHBondContact O-CB 3.4Å; L67-Y70 PolarHBondContact O-N 2.88Å; L67-D71 PolarHBondContact O-N 2.93Å; L67-F95 HydrophobicContact CD2-CD2 3.8Å; L67-F95 HydrophobicContact CD2-CE2 3.6Å; L67-F95 HydrophobicContact CD2-CZ 4.48Å; L67-A98 HydrophobicContact CD2-CB 3.96Å; L67-A98 HydrophobicContact CG-CB 4.38Å; L67-I99 HydrophobicContact CD1-CG1 4.25Å; L67-I99 HydrophobicContact CD2-CG1 3.76Å; L67-A102 HydrophobicContact CD1-CB 4.4Å |
| 68 | T | 89.4 | Confident | 89.1 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.7 | -45.2 | 174.9 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | I26 M64 K65 Y66 D71 I72 | I26-T68 HydrophobicContact CB-CG2 4.19Å; M64-T68 WeakPolarHBondContact O-CB 3.5Å; M64-T68 PolarHBondContact O-N 2.85Å; M64-T68 PolarHBondContact O-OG1 2.91Å; K65-T68 PolarHBondContact O-N 2.96Å; Y66-T68 PolarHBondContact O-N 3.45Å; T68-D71 PolarHBondContact O-N 3.09Å; T68-I72 HydrophobicContact CG2-CD1 4.4Å; T68-I72 WeakPolarHBondContact O-CG1 3.36Å; T68-I72 PolarHBondContact O-N 3.41Å; T68-I72 VanDerWaalsContact O-N 3.11Å |
| 69 | V | 88.8 | Confident | 88.6 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 177 | 168.9 | 0 | 0 | 0 | 0 | 112 | I26 Y36 A40 L43 K65 Y66 L67 D71 I72 I73 | I26-V69 HydrophobicContact CD1-CG2 3.7Å; Y36-V69 HydrophobicContact CD1-CG1 3.96Å; Y36-V69 WeakPolarHBondContact O-CG1 3.16Å; A40-V69 HydrophobicContact CB-CG1 3.9Å; L43-V69 HydrophobicContact CD1-CG2 4.02Å; K65-V69 WeakPolarHBondContact O-CG2 3.42Å; K65-V69 PolarHBondContact O-N 3.26Å; Y66-V69 PolarHBondContact O-N 3.23Å; L67-V69 PolarHBondContact O-N 3.28Å; V69-D71 VanDerWaalsContact C-N 3.28Å; V69-D71 PolarHBondContact O-N 3.45Å; V69-I72 WeakPolarHBondContact O-CB 3.43Å; V69-I72 PolarHBondContact O-N 3.41Å; V69-I73 HydrophobicContact CG1-CD1 3.88Å; V69-I73 HydrophobicContact CG1-CG1 4.45Å; V69-I73 WeakPolarHBondContact O-CG1 3.44Å; V69-I73 PolarHBondContact O-N 3.24Å |
| 70 | Y | 87.9 | Confident | 87.9 | Confident | 29 Ų | 29 | 47.6 Ų | 47.6 | 11% | 0.114 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 175.4 | -171.3 | -84.6 | 0 | 0 | 0 | 111.3 | Y66 L67 I73 K74 L90 F95 | Y66-Y70 WeakPolarHBondContact O-CB 3.3Å; Y66-Y70 PolarHBondContact O-N 2.69Å; L67-Y70 WeakPolarHBondContact O-CB 3.4Å; L67-Y70 PolarHBondContact O-N 2.88Å; Y70-I73 WeakPolarHBondContact O-CB 3.5Å; Y70-I73 PolarHBondContact O-N 2.86Å; Y70-K74 HydrophobicContact CE1-CD 4.45Å; Y70-K74 WeakPolarHBondContact O-CB 3.43Å; Y70-K74 PolarHBondContact O-N 2.59Å; Y70-L90 HydrophobicContact CD2-CD1 3.87Å; Y70-L90 HydrophobicContact CE2-CD1 3.76Å; Y70-F95 AromaticContact CD1-CD2 3.34Å; Y70-F95 HydrophobicContact CD1-CD2 3.34Å; Y70-F95 AromaticContact CD1-CE2 3.27Å; Y70-F95 HydrophobicContact CD1-CE2 3.27Å; Y70-F95 HydrophobicContact CD1-CG 4.18Å; Y70-F95 HydrophobicContact CD1-CZ 4.06Å; Y70-F95 HydrophobicContact CD2-CB 4.35Å; Y70-F95 AromaticContact CD2-CD2 3.74Å; Y70-F95 HydrophobicContact CD2-CD2 3.74Å; Y70-F95 HydrophobicContact CD2-CE2 4.48Å; Y70-F95 HydrophobicContact CD2-CG 4.33Å; Y70-F95 HydrophobicContact CE1-CD1 4.22Å; Y70-F95 AromaticContact CE1-CD2 3.43Å; Y70-F95 HydrophobicContact CE1-CD2 3.43Å; Y70-F95 VanDerWaalsContact CE1-CD2 3.43Å; Y70-F95 HydrophobicContact CE1-CE1 4.3Å; Y70-F95 AromaticContact CE1-CE2 3.54Å; Y70-F95 HydrophobicContact CE1-CE2 3.54Å; Y70-F95 AromaticContact CE1-CG 3.79Å; Y70-F95 HydrophobicContact CE1-CG 3.79Å; Y70-F95 AromaticContact CE1-CZ 3.98Å; Y70-F95 HydrophobicContact CE1-CZ 3.98Å; Y70-F95 HydrophobicContact CE2-CB 3.83Å; Y70-F95 AromaticContact CE2-CD2 3.83Å; Y70-F95 HydrophobicContact CE2-CD2 3.83Å; Y70-F95 AromaticContact CE2-CG 3.98Å; Y70-F95 HydrophobicContact CE2-CG 3.98Å; Y70-F95 AromaticContact CG-CD2 3.5Å; Y70-F95 HydrophobicContact CG-CD2 3.5Å; Y70-F95 VanDerWaalsContact CG-CD2 3.5Å; Y70-F95 AromaticContact CG-CE2 3.8Å; Y70-F95 HydrophobicContact CG-CE2 3.8Å; Y70-F95 HydrophobicContact CG-CG 4.43Å; Y70-F95 AromaticContact CZ-CD2 3.68Å; Y70-F95 AromaticContact CZ-CG 3.68Å |
| 71 | D | 87.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 33% | 0.326 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.1 | -32.2 | 178.4 | -128.7 | 38.5 | 0 | 0 | 0 | 112.8 | L67 T68 V69 K75 | L67-D71 PolarHBondContact O-N 2.93Å; T68-D71 PolarHBondContact O-N 3.09Å; V69-D71 VanDerWaalsContact C-N 3.28Å; V69-D71 PolarHBondContact O-N 3.45Å; D71-K75 VanDerWaalsContact O-CD 3.22Å; D71-K75 WeakPolarHBondContact O-CD 3.23Å; D71-K75 WeakPolarHBondContact O-CG 3.38Å; D71-K75 PolarHBondContact O-N 3.14Å; D71-K75 WeakPolarHBondContact OD2-CE 3.36Å; D71-K75 IonicContact OD2-NZ 2.68Å; D71-K75 PolarHBondContact OD2-NZ 2.97Å |
| 72 | I | 87.3 | Confident | 86.8 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 169.2 | -69.5 | 164.6 | 0 | 0 | 0 | 110.6 | I26 P28 Y36 T68 V69 K75 R76 | I26-I72 HydrophobicContact CG2-CD1 4.5Å; P28-I72 HydrophobicContact CB-CD1 4.15Å; Y36-I72 HydrophobicContact CD1-CG2 4.26Å; Y36-I72 HydrophobicContact CD2-CG2 4.49Å; Y36-I72 HydrophobicContact CE1-CG2 3.96Å; Y36-I72 HydrophobicContact CE2-CG2 4.22Å; Y36-I72 HydrophobicContact CG-CG2 4.5Å; T68-I72 HydrophobicContact CG2-CD1 4.4Å; T68-I72 WeakPolarHBondContact O-CG1 3.36Å; T68-I72 PolarHBondContact O-N 3.41Å; T68-I72 VanDerWaalsContact O-N 3.11Å; V69-I72 WeakPolarHBondContact O-CB 3.43Å; V69-I72 PolarHBondContact O-N 3.41Å; I72-K75 PolarHBondContact O-N 3.24Å; I72-R76 WeakPolarHBondContact O-CG 3.12Å |
| 73 | I | 86.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -51 | 176.6 | -67.6 | 158.8 | 0 | 0 | 0 | 110.3 | T33 V37 A40 V69 Y70 K75 R76 F79 L90 | T33-I73 HydrophobicContact CG2-CG2 4.26Å; V37-I73 HydrophobicContact CG2-CD1 3.79Å; V37-I73 HydrophobicContact CG2-CG1 4.29Å; V37-I73 HydrophobicContact CG2-CG2 4.21Å; A40-I73 HydrophobicContact CB-CD1 4.32Å; V69-I73 HydrophobicContact CG1-CD1 3.88Å; V69-I73 HydrophobicContact CG1-CG1 4.45Å; V69-I73 WeakPolarHBondContact O-CG1 3.44Å; V69-I73 PolarHBondContact O-N 3.24Å; Y70-I73 WeakPolarHBondContact O-CB 3.5Å; Y70-I73 PolarHBondContact O-N 2.86Å; I73-K75 PolarHBondContact O-N 2.86Å; I73-K75 VanDerWaalsContact O-N 3.14Å; I73-R76 PolarHBondContact O-N 3.26Å; I73-R76 VanDerWaalsContact O-N 3.08Å; I73-F79 HydrophobicContact CG2-CB 4.42Å; I73-F79 HydrophobicContact CG2-CD2 3.54Å; I73-F79 HydrophobicContact CG2-CE2 4.1Å; I73-F79 HydrophobicContact CG2-CG 4.16Å; I73-F79 VanDerWaalsContact O-CB 3.3Å; I73-F79 WeakPolarHBondContact O-CB 3.31Å; I73-L90 HydrophobicContact CD1-CD1 4.4Å; I73-L90 HydrophobicContact CD1-CD2 4.34Å |
| 74 | K | 85.1 | Confident | 85.4 | Confident | 108 Ų | 108 | 66 Ų | 66 | 47% | 0.47 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.8 | -26 | -178.1 | -171 | 178.2 | 179.2 | -175.6 | 0 | 113.8 | Y70 F79 | Y70-K74 HydrophobicContact CE1-CD 4.45Å; Y70-K74 WeakPolarHBondContact O-CB 3.43Å; Y70-K74 PolarHBondContact O-N 2.59Å; K74-F79 HydrophobicContact CB-CE1 4.41Å; K74-F79 HydrophobicContact CG-CE1 4.14Å |
| 75 | K | 84.7 | Confident | 84.9 | Confident | 139 Ų | 139 | 69 Ų | 69 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -84.4 | -14.8 | -180 | -72.2 | 164 | -165.1 | 163.5 | 0 | 113.7 | D71 I72 I73 | D71-K75 VanDerWaalsContact O-CD 3.22Å; D71-K75 WeakPolarHBondContact O-CD 3.23Å; D71-K75 WeakPolarHBondContact O-CG 3.38Å; D71-K75 PolarHBondContact O-N 3.14Å; D71-K75 WeakPolarHBondContact OD2-CE 3.36Å; D71-K75 IonicContact OD2-NZ 2.68Å; D71-K75 PolarHBondContact OD2-NZ 2.97Å; I72-K75 PolarHBondContact O-N 3.24Å; I73-K75 PolarHBondContact O-N 2.86Å; I73-K75 VanDerWaalsContact O-N 3.14Å |
| 76 | R | 84.3 | Confident | 84.3 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 25% | 0.249 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -80.7 | 148.1 | -176.8 | -69.4 | 178.4 | 69.3 | 119.2 | -1 | 113 | T31 T33 I72 I73 D78 F79 | T31-R76 PolarHBondContact O-NH1 2.97Å; T31-R76 PolarHBondContact O-NH2 3.14Å; T33-R76 WeakPolarHBondContact OG1-CD 3.22Å; T33-R76 PolarHBondContact OG1-NE 3.13Å; I72-R76 WeakPolarHBondContact O-CG 3.12Å; I73-R76 PolarHBondContact O-N 3.26Å; I73-R76 VanDerWaalsContact O-N 3.08Å; R76-D78 PolarHBondContact O-N 2.93Å; R76-F79 PolarHBondContact O-N 3.24Å |
| 77 | P | 79.3 | Confident | 83.7 | Confident | 83 Ų | 83 | 69.9 Ų | 69.9 | 54% | 0.539 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | -178.2 | 24 | -31.8 | 0 | 0 | 0 | 112.5 | F79 K80 Q81 | P77-F79 PolarHBondContact O-N 3.15Å; P77-K80 WeakPolarHBondContact O-CB 3.46Å; P77-K80 PolarHBondContact O-N 3.28Å; P77-Q81 PolarHBondContact O-N 2.85Å |
| 78 | D | 80.9 | Confident | 83.3 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56 | -37.5 | 179.6 | -29.1 | -8.4 | 0 | 0 | 0 | 111.8 | T33 R76 Q81 Q82 | T33-D78 WeakPolarHBondContact CB-OD2 3.26Å; T33-D78 HydrophobicContact CG2-CB 4.45Å; T33-D78 PolarHBondContact OG1-OD2 3.05Å; R76-D78 PolarHBondContact O-N 2.93Å; D78-Q81 PolarHBondContact O-N 3.16Å; D78-Q82 PolarHBondContact O-N 3.12Å |
| 79 | F | 82.1 | Confident | 82.9 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 10% | 0.096 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.3 | -36.6 | 177.6 | -178.3 | -90.7 | 0 | 0 | 0 | 112.1 | I73 K74 R76 P77 Q81 Q82 P83 Y86 V87 | I73-F79 HydrophobicContact CG2-CB 4.42Å; I73-F79 HydrophobicContact CG2-CD2 3.54Å; I73-F79 HydrophobicContact CG2-CE2 4.1Å; I73-F79 HydrophobicContact CG2-CG 4.16Å; I73-F79 VanDerWaalsContact O-CB 3.3Å; I73-F79 WeakPolarHBondContact O-CB 3.31Å; K74-F79 HydrophobicContact CB-CE1 4.41Å; K74-F79 HydrophobicContact CG-CE1 4.14Å; R76-F79 PolarHBondContact O-N 3.24Å; P77-F79 PolarHBondContact O-N 3.15Å; F79-Q81 PolarHBondContact O-N 2.88Å; F79-Q82 CarbonylContact O-C 3.56Å; F79-Q82 PolarHBondContact O-N 3.06Å; F79-P83 HydrophobicContact CE1-CB 4.36Å; F79-P83 HydrophobicContact CZ-CB 4.45Å; F79-P83 WeakPolarHBondContact O-CA 3.44Å; F79-P83 VanDerWaalsContact O-N 3.13Å; F79-Y86 HydrophobicContact CB-CD2 4.5Å; F79-Y86 HydrophobicContact CD2-CD2 4.02Å; F79-Y86 HydrophobicContact CD2-CG 4.11Å; F79-V87 HydrophobicContact CE2-CG2 4.17Å; F79-V87 HydrophobicContact CZ-CG2 3.96Å |
| 80 | K | 78.4 | Confident | 82.5 | Confident | 158 Ų | 158 | 74.5 Ų | 74.5 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -69.2 | -21.8 | 177 | -63.4 | -177.8 | 179 | -177.8 | 0 | 113 | P77 | P77-K80 WeakPolarHBondContact O-CB 3.46Å; P77-K80 PolarHBondContact O-N 3.28Å |
| 81 | Q | 81.8 | Confident | 82 | Confident | 158 Ų | 158 | 74.4 Ų | 74.4 | 74% | 0.738 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -82.9 | -30.8 | 176.5 | -68.3 | 177 | -4.4 | 0 | 0 | 113.1 | P77 D78 F79 | P77-Q81 PolarHBondContact O-N 2.85Å; D78-Q81 PolarHBondContact O-N 3.16Å; F79-Q81 PolarHBondContact O-N 2.88Å |
| 82 | Q | 82.4 | Confident | 81.3 | Confident | 110 Ų | 110 | 75.3 Ų | 75.3 | 51% | 0.514 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -142.4 | 65 | -177.7 | -66.3 | -172.1 | -21.6 | 0 | 0 | 111.9 | D78 F79 D84 Y86 | D78-Q82 PolarHBondContact O-N 3.12Å; F79-Q82 CarbonylContact O-C 3.56Å; F79-Q82 PolarHBondContact O-N 3.06Å; Q82-D84 PolarHBondContact O-N 3.14Å; Q82-Y86 HydrophobicContact CB-CE2 4.48Å; Q82-Y86 VanDerWaalsContact O-CD2 3.25Å; Q82-Y86 WeakPolarHBondContact O-CD2 3.27Å |
| 83 | P | 80.1 | Confident | 80.9 | Confident | 50 Ų | 50 | 80.1 Ų | 80.1 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | -173.3 | 24 | -33.5 | 0 | 0 | 0 | 112.4 | F79 Y85 Y86 V87 | F79-P83 HydrophobicContact CE1-CB 4.36Å; F79-P83 HydrophobicContact CZ-CB 4.45Å; F79-P83 WeakPolarHBondContact O-CA 3.44Å; F79-P83 VanDerWaalsContact O-N 3.13Å; P83-Y85 VanDerWaalsContact C-N 3.35Å; P83-Y85 PolarHBondContact O-N 2.79Å; P83-Y86 PolarHBondContact O-N 2.77Å; P83-V87 WeakPolarHBondContact O-CG2 3.47Å; P83-V87 PolarHBondContact O-N 2.88Å |
| 84 | D | 79.5 | Confident | 80.7 | Confident | 123 Ų | 123 | 81.1 Ų | 81.1 | 66% | 0.658 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.6 | -40.8 | -173.6 | -52.6 | -58.5 | 0 | 0 | 0 | 112.1 | Q82 Y86 V87 T88 | Q82-D84 PolarHBondContact O-N 3.14Å; D84-Y86 VanDerWaalsContact C-N 3.35Å; D84-Y86 PolarHBondContact O-N 3.04Å; D84-V87 PolarHBondContact O-N 3.48Å; D84-T88 WeakPolarHBondContact O-CB 3.43Å; D84-T88 PolarHBondContact O-N 3.27Å; D84-T88 PolarHBondContact O-OG1 3.33Å |
| 85 | Y | 82.2 | Confident | 80.7 | Confident | 115 Ų | 115 | 78.7 Ų | 78.7 | 45% | 0.451 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 176.8 | 173.6 | -113.9 | 0 | 0 | 0 | 112.5 | P83 M89 | P83-Y85 VanDerWaalsContact C-N 3.35Å; P83-Y85 PolarHBondContact O-N 2.79Å; Y85-M89 HydrophobicContact CD1-CE 4.19Å; Y85-M89 HydrophobicContact CD2-CE 4.5Å; Y85-M89 HydrophobicContact CE1-CE 3.56Å; Y85-M89 HydrophobicContact CE2-CE 3.9Å; Y85-M89 WeakPolarHBondContact O-CB 3.44Å; Y85-M89 PolarHBondContact O-N 2.92Å |
| 86 | Y | 79.9 | Confident | 80.8 | Confident | 29 Ų | 29 | 78.3 Ų | 78.3 | 11% | 0.114 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -77.6 | -34.4 | 178.6 | -68.6 | -63.6 | 0 | 0 | 0 | 112.8 | T33 V37 F79 Q82 P83 D84 M89 L90 | T33-Y86 HydrophobicContact CG2-CE1 4.21Å; T33-Y86 HydrophobicContact CG2-CE2 4.48Å; V37-Y86 HydrophobicContact CG2-CD1 3.97Å; F79-Y86 HydrophobicContact CB-CD2 4.5Å; F79-Y86 HydrophobicContact CD2-CD2 4.02Å; F79-Y86 HydrophobicContact CD2-CG 4.11Å; Q82-Y86 HydrophobicContact CB-CE2 4.48Å; Q82-Y86 VanDerWaalsContact O-CD2 3.25Å; Q82-Y86 WeakPolarHBondContact O-CD2 3.27Å; P83-Y86 PolarHBondContact O-N 2.77Å; D84-Y86 VanDerWaalsContact C-N 3.35Å; D84-Y86 PolarHBondContact O-N 3.04Å; Y86-M89 HydrophobicContact CD1-CE 4.3Å; Y86-M89 PolarHBondContact O-N 3.13Å; Y86-L90 WeakPolarHBondContact O-CD1 3.36Å; Y86-L90 WeakPolarHBondContact O-CG 3.4Å; Y86-L90 PolarHBondContact O-N 3.06Å |
| 87 | V | 80.4 | Confident | 81.1 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 173.8 | 171 | 0 | 0 | 0 | 0 | 111.1 | F79 P83 D84 M89 L90 G91 | F79-V87 HydrophobicContact CE2-CG2 4.17Å; F79-V87 HydrophobicContact CZ-CG2 3.96Å; P83-V87 WeakPolarHBondContact O-CG2 3.47Å; P83-V87 PolarHBondContact O-N 2.88Å; D84-V87 PolarHBondContact O-N 3.48Å; V87-M89 VanDerWaalsContact C-N 3.29Å; V87-M89 PolarHBondContact O-N 2.8Å; V87-L90 PolarHBondContact O-N 2.85Å; V87-G91 PolarHBondContact O-N 2.84Å |
| 88 | T | 82 | Confident | 81.6 | Confident | 111 Ų | 111 | 74.5 Ų | 74.5 | 68% | 0.681 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.7 | -41 | 172.4 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | D84 L90 G91 | D84-T88 WeakPolarHBondContact O-CB 3.43Å; D84-T88 PolarHBondContact O-N 3.27Å; D84-T88 PolarHBondContact O-OG1 3.33Å; T88-L90 PolarHBondContact O-N 3.37Å; T88-G91 PolarHBondContact O-N 2.93Å |
| 89 | M | 80.7 | Confident | 82 | Confident | 62 Ų | 62 | 74.3 Ų | 74.3 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.6 | -27.1 | 180 | -160.4 | -177 | -47.4 | 0 | 0 | 113.9 | V37 C41 Y85 Y86 V87 | V37-M89 HydrophobicContact CB-SD 4.46Å; V37-M89 HydrophobicContact CG1-CB 4.04Å; V37-M89 HydrophobicContact CG1-CG 3.73Å; V37-M89 HydrophobicContact CG1-SD 3.59Å; V37-M89 VanDerWaalsContact CG1-SD 3.59Å; C41-M89 PolarHBondContact SG-O 2.88Å; C41-M89 VanDerWaalsContact SG-O 3.42Å; Y85-M89 HydrophobicContact CD1-CE 4.19Å; Y85-M89 HydrophobicContact CD2-CE 4.5Å; Y85-M89 HydrophobicContact CE1-CE 3.56Å; Y85-M89 HydrophobicContact CE2-CE 3.9Å; Y85-M89 WeakPolarHBondContact O-CB 3.44Å; Y85-M89 PolarHBondContact O-N 2.92Å; Y86-M89 HydrophobicContact CD1-CE 4.3Å; Y86-M89 PolarHBondContact O-N 3.13Å; V87-M89 VanDerWaalsContact C-N 3.29Å; V87-M89 PolarHBondContact O-N 2.8Å |
| 90 | L | 79.3 | Confident | 82.4 | Confident | 9 Ų | 9 | 77.8 Ų | 77.8 | 5% | 0.047 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -85 | -19.3 | 173.8 | -70.6 | 163.5 | 0 | 0 | 0 | 113 | V37 A40 Y70 I73 Y86 V87 T88 S94 | V37-L90 HydrophobicContact CB-CD2 4.36Å; V37-L90 HydrophobicContact CG1-CD2 3.91Å; V37-L90 HydrophobicContact CG1-CG 4.01Å; V37-L90 HydrophobicContact CG2-CD1 4.42Å; V37-L90 HydrophobicContact CG2-CD2 4.35Å; V37-L90 HydrophobicContact CG2-CG 4.35Å; A40-L90 HydrophobicContact CB-CD2 3.58Å; Y70-L90 HydrophobicContact CD2-CD1 3.87Å; Y70-L90 HydrophobicContact CE2-CD1 3.76Å; I73-L90 HydrophobicContact CD1-CD1 4.4Å; I73-L90 HydrophobicContact CD1-CD2 4.34Å; Y86-L90 WeakPolarHBondContact O-CD1 3.36Å; Y86-L90 WeakPolarHBondContact O-CG 3.4Å; Y86-L90 PolarHBondContact O-N 3.06Å; V87-L90 PolarHBondContact O-N 2.85Å; T88-L90 PolarHBondContact O-N 3.37Å; L90-S94 VanDerWaalsContact O-CB 3.25Å; L90-S94 WeakPolarHBondContact O-CB 3.41Å; L90-S94 PolarHBondContact O-OG 3.46Å |
| 91 | G | 78.4 | Confident | 83 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | trans | 85.5 | 121.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V87 T88 N93 S94 | V87-G91 PolarHBondContact O-N 2.84Å; T88-G91 PolarHBondContact O-N 2.93Å; G91-N93 VanDerWaalsContact C-N 3.26Å; G91-N93 PolarHBondContact O-N 2.83Å; G91-N93 VanDerWaalsContact O-N 3.1Å; G91-S94 WeakPolarHBondContact O-CB 3.15Å; G91-S94 PolarHBondContact O-N 2.81Å; G91-S94 PolarHBondContact O-OG 2.74Å | ||
| 92 | A | 71.6 | Confident | 83.4 | Confident | 79 Ų | 79 | 64 Ų | 64 | 65% | 0.653 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -35.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 93 | N | 79.2 | Confident | 83.9 | Confident | 131 Ų | 131 | 64.2 Ų | 64.2 | 70% | 0.701 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -8.9 | -178.3 | -65.1 | -13.3 | 0 | 0 | 0 | 113.7 | G91 F95 K96 K97 | G91-N93 VanDerWaalsContact C-N 3.26Å; G91-N93 PolarHBondContact O-N 2.83Å; G91-N93 VanDerWaalsContact O-N 3.1Å; N93-F95 VanDerWaalsContact C-N 3.33Å; N93-F95 PolarHBondContact O-N 3.48Å; N93-K96 PolarHBondContact O-N 3.01Å; N93-K97 WeakPolarHBondContact O-CB 3.34Å; N93-K97 PolarHBondContact O-N 3.18Å |
| 94 | S | 82.8 | Confident | 84.4 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | -174.7 | -51.5 | 0 | 0 | 0 | 0 | 112.1 | F44 Y66 L90 G91 A98 | F44-S94 VanDerWaalsContact CE2-O 3.23Å; F44-S94 WeakPolarHBondContact CE2-O 3.06Å; Y66-S94 VanDerWaalsContact OH-CB 3.32Å; Y66-S94 WeakPolarHBondContact OH-CB 3.41Å; L90-S94 VanDerWaalsContact O-CB 3.25Å; L90-S94 WeakPolarHBondContact O-CB 3.41Å; L90-S94 PolarHBondContact O-OG 3.46Å; G91-S94 WeakPolarHBondContact O-CB 3.15Å; G91-S94 PolarHBondContact O-N 2.81Å; G91-S94 PolarHBondContact O-OG 2.74Å; S94-A98 VanDerWaalsContact O-CB 3.26Å; S94-A98 WeakPolarHBondContact O-CB 3.43Å; S94-A98 PolarHBondContact O-N 3.25Å |
| 95 | F | 85.3 | Confident | 84.9 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 25% | 0.25 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -49.8 | 178.6 | -178.1 | -107.7 | 0 | 0 | 0 | 112.3 | Y66 L67 Y70 N93 K97 A98 I99 | Y66-F95 PolarHBondContact OH-N 3.32Å; L67-F95 HydrophobicContact CD2-CD2 3.8Å; L67-F95 HydrophobicContact CD2-CE2 3.6Å; L67-F95 HydrophobicContact CD2-CZ 4.48Å; Y70-F95 AromaticContact CD1-CD2 3.34Å; Y70-F95 HydrophobicContact CD1-CD2 3.34Å; Y70-F95 AromaticContact CD1-CE2 3.27Å; Y70-F95 HydrophobicContact CD1-CE2 3.27Å; Y70-F95 HydrophobicContact CD1-CG 4.18Å; Y70-F95 HydrophobicContact CD1-CZ 4.06Å; Y70-F95 HydrophobicContact CD2-CB 4.35Å; Y70-F95 AromaticContact CD2-CD2 3.74Å; Y70-F95 HydrophobicContact CD2-CD2 3.74Å; Y70-F95 HydrophobicContact CD2-CE2 4.48Å; Y70-F95 HydrophobicContact CD2-CG 4.33Å; Y70-F95 HydrophobicContact CE1-CD1 4.22Å; Y70-F95 AromaticContact CE1-CD2 3.43Å; Y70-F95 HydrophobicContact CE1-CD2 3.43Å; Y70-F95 VanDerWaalsContact CE1-CD2 3.43Å; Y70-F95 HydrophobicContact CE1-CE1 4.3Å; Y70-F95 AromaticContact CE1-CE2 3.54Å; Y70-F95 HydrophobicContact CE1-CE2 3.54Å; Y70-F95 AromaticContact CE1-CG 3.79Å; Y70-F95 HydrophobicContact CE1-CG 3.79Å; Y70-F95 AromaticContact CE1-CZ 3.98Å; Y70-F95 HydrophobicContact CE1-CZ 3.98Å; Y70-F95 HydrophobicContact CE2-CB 3.83Å; Y70-F95 AromaticContact CE2-CD2 3.83Å; Y70-F95 HydrophobicContact CE2-CD2 3.83Å; Y70-F95 AromaticContact CE2-CG 3.98Å; Y70-F95 HydrophobicContact CE2-CG 3.98Å; Y70-F95 AromaticContact CG-CD2 3.5Å; Y70-F95 HydrophobicContact CG-CD2 3.5Å; Y70-F95 VanDerWaalsContact CG-CD2 3.5Å; Y70-F95 AromaticContact CG-CE2 3.8Å; Y70-F95 HydrophobicContact CG-CE2 3.8Å; Y70-F95 HydrophobicContact CG-CG 4.43Å; Y70-F95 AromaticContact CZ-CD2 3.68Å; Y70-F95 AromaticContact CZ-CG 3.68Å; N93-F95 VanDerWaalsContact C-N 3.33Å; N93-F95 PolarHBondContact O-N 3.48Å; F95-K97 PolarHBondContact O-N 3.49Å; F95-A98 PolarHBondContact O-N 3Å; F95-I99 HydrophobicContact CD1-CD1 4.19Å; F95-I99 HydrophobicContact CE1-CD1 3.63Å; F95-I99 HydrophobicContact CE2-CD1 4.37Å; F95-I99 HydrophobicContact CZ-CD1 3.74Å; F95-I99 PolarHBondContact O-N 2.75Å |
| 96 | K | 86.1 | Confident | 85.3 | Confident | 131 Ų | 131 | 58.4 Ų | 58.4 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.9 | -48.1 | 178.1 | 177.5 | 170.2 | 170.9 | 173 | 0 | 111.4 | N93 A98 I99 E100 | N93-K96 PolarHBondContact O-N 3.01Å; K96-A98 VanDerWaalsContact C-N 3.31Å; K96-A98 PolarHBondContact O-N 2.8Å; K96-I99 PolarHBondContact O-N 2.95Å; K96-I99 VanDerWaalsContact O-N 3.14Å; K96-E100 WeakPolarHBondContact CE-OE1 3.31Å; K96-E100 HydrophobicContact CG-CG 4.45Å; K96-E100 IonicContact NZ-OE1 2.59Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 2.84Å |
| 97 | K | 90.4 | Very high | 85.8 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 30% | 0.3 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 178.9 | -167.2 | -173.8 | 178.6 | -151 | 0 | 112.8 | F44 E48 N93 F95 I99 E100 E101 | F44-K97 HydrophobicContact CZ-CD 4.34Å; E48-K97 WeakPolarHBondContact OE1-CE 3.38Å; E48-K97 IonicContact OE1-NZ 3.59Å; E48-K97 PolarHBondContact OE1-NZ 2.96Å; E48-K97 IonicContact OE2-NZ 3.88Å; E48-K97 PolarHBondContact OE2-NZ 3.21Å; N93-K97 WeakPolarHBondContact O-CB 3.34Å; N93-K97 PolarHBondContact O-N 3.18Å; F95-K97 PolarHBondContact O-N 3.49Å; K97-I99 VanDerWaalsContact C-N 3.3Å; K97-I99 PolarHBondContact O-N 2.81Å; K97-E100 PolarHBondContact O-N 3.43Å; K97-E101 HydrophobicContact CG-CG 4.29Å; K97-E101 PolarHBondContact O-N 3.19Å |
| 98 | A | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66 | -31 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | F44 Y63 Y66 L67 S94 F95 K96 A102 | F44-A98 HydrophobicContact CD2-CB 4.21Å; F44-A98 HydrophobicContact CE2-CB 4.02Å; Y63-A98 HydrophobicContact CD1-CB 3.88Å; Y63-A98 HydrophobicContact CE1-CB 4.49Å; Y66-A98 HydrophobicContact CD1-CB 3.45Å; Y66-A98 VanDerWaalsContact CD1-CB 3.45Å; Y66-A98 HydrophobicContact CE1-CB 3.52Å; L67-A98 HydrophobicContact CD2-CB 3.96Å; L67-A98 HydrophobicContact CG-CB 4.38Å; S94-A98 VanDerWaalsContact O-CB 3.26Å; S94-A98 WeakPolarHBondContact O-CB 3.43Å; S94-A98 PolarHBondContact O-N 3.25Å; F95-A98 PolarHBondContact O-N 3Å; K96-A98 VanDerWaalsContact C-N 3.31Å; K96-A98 PolarHBondContact O-N 2.8Å; A98-A102 WeakPolarHBondContact O-CB 3.35Å; A98-A102 PolarHBondContact O-N 3.46Å |
| 99 | I | 89 | Confident | 86.7 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70 | -55.3 | 171 | -65 | 172.5 | 0 | 0 | 0 | 109.4 | L67 F95 K96 K97 E101 A102 E103 | L67-I99 HydrophobicContact CD1-CG1 4.25Å; L67-I99 HydrophobicContact CD2-CG1 3.76Å; F95-I99 HydrophobicContact CD1-CD1 4.19Å; F95-I99 HydrophobicContact CE1-CD1 3.63Å; F95-I99 HydrophobicContact CE2-CD1 4.37Å; F95-I99 HydrophobicContact CZ-CD1 3.74Å; F95-I99 PolarHBondContact O-N 2.75Å; K96-I99 PolarHBondContact O-N 2.95Å; K96-I99 VanDerWaalsContact O-N 3.14Å; K97-I99 VanDerWaalsContact C-N 3.3Å; K97-I99 PolarHBondContact O-N 2.81Å; I99-E101 PolarHBondContact O-N 3.41Å; I99-A102 PolarHBondContact O-N 3.31Å; I99-E103 VanDerWaalsContact CG2-CD 3.5Å; I99-E103 HydrophobicContact CG2-CG 4.12Å; I99-E103 WeakPolarHBondContact CG2-OE1 3.36Å; I99-E103 WeakPolarHBondContact O-CG 3.48Å; I99-E103 PolarHBondContact O-N 2.77Å |
| 100 | E | 91.1 | Very high | 87.1 | Confident | 94 Ų | 94 | 61 Ų | 61 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | -174.7 | -67.8 | 169.9 | 154.4 | 0 | 0 | 113.3 | K96 K97 K104 | K96-E100 WeakPolarHBondContact CE-OE1 3.31Å; K96-E100 HydrophobicContact CG-CG 4.45Å; K96-E100 IonicContact NZ-OE1 2.59Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 2.84Å; K97-E100 PolarHBondContact O-N 3.43Å; E100-K104 VanDerWaalsContact O-CB 3.28Å; E100-K104 WeakPolarHBondContact O-CB 3.36Å; E100-K104 PolarHBondContact O-N 3.49Å |
| 101 | E | 91.8 | Very high | 87.4 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -79.2 | -27.4 | 175.9 | -63.9 | -84 | -147.3 | 0 | 0 | 112.1 | R51 Y63 K97 I99 K104 L105 | R51-E101 VanDerWaalsContact CD-CD 3.48Å; R51-E101 WeakPolarHBondContact CD-OE1 3.49Å; R51-E101 IonicContact CZ-OE1 2.84Å; R51-E101 IonicContact NE-OE1 3.52Å; R51-E101 PolarHBondContact NE-OE1 3.44Å; R51-E101 IonicContact NH1-OE1 2.69Å; R51-E101 PolarHBondContact NH1-OE1 3.09Å; Y63-E101 HydrophobicContact CE2-CB 3.99Å; K97-E101 HydrophobicContact CG-CG 4.29Å; K97-E101 PolarHBondContact O-N 3.19Å; I99-E101 PolarHBondContact O-N 3.41Å; E101-K104 IonicContact OE1-NZ 3.56Å; E101-K104 IonicContact OE2-NZ 2.87Å; E101-K104 PolarHBondContact OE2-NZ 2.72Å; E101-L105 VanDerWaalsContact O-CB 3.24Å; E101-L105 WeakPolarHBondContact O-CB 3.2Å; E101-L105 WeakPolarHBondContact O-CD1 3.26Å; E101-L105 WeakPolarHBondContact O-CG 3.3Å; E101-L105 PolarHBondContact O-N 2.74Å |
| 102 | A | 90.2 | Very high | 88 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 3% | 0.033 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.7 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y60 M64 L67 A98 I99 L105 S106 | Y60-A102 HydrophobicContact CD2-CB 4.39Å; Y60-A102 WeakPolarHBondContact CD2-O 3.23Å; Y60-A102 HydrophobicContact CE2-CB 4.35Å; Y60-A102 VanDerWaalsContact CE2-O 3.3Å; Y60-A102 WeakPolarHBondContact CE2-O 3.39Å; M64-A102 HydrophobicContact SD-CB 4.43Å; L67-A102 HydrophobicContact CD1-CB 4.4Å; A98-A102 WeakPolarHBondContact O-CB 3.35Å; A98-A102 PolarHBondContact O-N 3.46Å; I99-A102 PolarHBondContact O-N 3.31Å; A102-L105 PolarHBondContact O-N 3.1Å; A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 3.48Å |
| 103 | E | 90.9 | Very high | 88.8 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 54% | 0.542 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.8 | -53.5 | 175.7 | -72.2 | 173.8 | 160 | 0 | 0 | 110.2 | I99 L105 S106 E107 | I99-E103 VanDerWaalsContact CG2-CD 3.5Å; I99-E103 HydrophobicContact CG2-CG 4.12Å; I99-E103 WeakPolarHBondContact CG2-OE1 3.36Å; I99-E103 WeakPolarHBondContact O-CG 3.48Å; I99-E103 PolarHBondContact O-N 2.77Å; E103-L105 PolarHBondContact O-N 3.13Å; E103-S106 WeakPolarHBondContact O-CA 3.23Å; E103-S106 WeakPolarHBondContact O-CB 3.04Å; E103-S106 PolarHBondContact O-N 2.75Å; E103-S106 PolarHBondContact O-OG 3.2Å; E103-E107 PolarHBondContact O-N 2.83Å |
| 104 | K | 91.3 | Very high | 89.1 | Confident | 122 Ų | 122 | 63.6 Ų | 63.6 | 53% | 0.53 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 176.9 | 177.7 | -179.9 | 164.9 | -156.2 | 0 | 114 | E100 E101 S108 | E100-K104 VanDerWaalsContact O-CB 3.28Å; E100-K104 WeakPolarHBondContact O-CB 3.36Å; E100-K104 PolarHBondContact O-N 3.49Å; E101-K104 IonicContact OE1-NZ 3.56Å; E101-K104 IonicContact OE2-NZ 2.87Å; E101-K104 PolarHBondContact OE2-NZ 2.72Å; K104-S108 PolarHBondContact O-N 3.09Å |
| 105 | L | 90.8 | Very high | 89.2 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 172.2 | -75.5 | 169.1 | 0 | 0 | 0 | 111.6 | E56 A59 Y60 Y63 E101 A102 E103 S108 L109 | E56-L105 HydrophobicContact CB-CD2 3.82Å; E56-L105 HydrophobicContact CG-CD2 3.87Å; A59-L105 HydrophobicContact CB-CD1 3.78Å; Y60-L105 HydrophobicContact CD2-CB 4.03Å; Y63-L105 HydrophobicContact CD2-CD1 3.91Å; Y63-L105 HydrophobicContact CE2-CD1 3.99Å; E101-L105 VanDerWaalsContact O-CB 3.24Å; E101-L105 WeakPolarHBondContact O-CB 3.2Å; E101-L105 WeakPolarHBondContact O-CD1 3.26Å; E101-L105 WeakPolarHBondContact O-CG 3.3Å; E101-L105 PolarHBondContact O-N 2.74Å; A102-L105 PolarHBondContact O-N 3.1Å; E103-L105 PolarHBondContact O-N 3.13Å; L105-S108 PolarHBondContact O-N 2.9Å; L105-L109 VanDerWaalsContact O-CB 3.28Å; L105-L109 WeakPolarHBondContact O-CB 3.45Å; L105-L109 WeakPolarHBondContact O-CD1 3.42Å; L105-L109 WeakPolarHBondContact O-CG 3.35Å; L105-L109 PolarHBondContact O-N 3.4Å |
| 106 | S | 90.6 | Very high | 89.1 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | 177.2 | 82 | 0 | 0 | 0 | 0 | 112.6 | A102 E103 K110 | A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 3.48Å; E103-S106 WeakPolarHBondContact O-CA 3.23Å; E103-S106 WeakPolarHBondContact O-CB 3.04Å; E103-S106 PolarHBondContact O-N 2.75Å; E103-S106 PolarHBondContact O-OG 3.2Å; S106-K110 WeakPolarHBondContact O-CB 3.43Å; S106-K110 PolarHBondContact O-N 3.13Å |
| 107 | E | 89.6 | Confident | 89.1 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 64% | 0.64 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.1 | -48.3 | 174.3 | -67.2 | -175.1 | 148.9 | 0 | 0 | 111.6 | E103 K110 L111 | E103-E107 PolarHBondContact O-N 2.83Å; E107-K110 PolarHBondContact O-N 2.63Å; E107-L111 WeakPolarHBondContact O-CG 3.43Å; E107-L111 PolarHBondContact O-N 3.15Å |
| 108 | S | 91.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.7 | -52.1 | 175.6 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | E56 K104 L105 K110 L111 R112 | E56-S108 PolarHBondContact OE1-OG 2.99Å; K104-S108 PolarHBondContact O-N 3.09Å; L105-S108 PolarHBondContact O-N 2.9Å; S108-K110 PolarHBondContact O-N 3.41Å; S108-L111 PolarHBondContact O-N 3.1Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.22Å; S108-R112 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.6 | -36.5 | -177.6 | -70.6 | 168.3 | 0 | 0 | 0 | 112.6 | L11 L17 L20 E56 E57 Y60 L105 R112 Y113 | L11-L109 HydrophobicContact CD2-CD2 3.74Å; L17-L109 HydrophobicContact CD1-CB 4.23Å; L20-L109 HydrophobicContact CD1-CD1 3.76Å; E56-L109 HydrophobicContact CB-CD2 3.91Å; E56-L109 HydrophobicContact CB-CG 4.31Å; E57-L109 HydrophobicContact CB-CD2 4.43Å; E57-L109 HydrophobicContact CG-CD2 3.65Å; Y60-L109 HydrophobicContact CD1-CD1 4.1Å; Y60-L109 HydrophobicContact CG-CD1 3.84Å; L105-L109 VanDerWaalsContact O-CB 3.28Å; L105-L109 WeakPolarHBondContact O-CB 3.45Å; L105-L109 WeakPolarHBondContact O-CD1 3.42Å; L105-L109 WeakPolarHBondContact O-CG 3.35Å; L105-L109 PolarHBondContact O-N 3.4Å; L109-R112 PolarHBondContact O-N 3.44Å; L109-Y113 HydrophobicContact CB-CD2 4.5Å; L109-Y113 HydrophobicContact CB-CE2 4.31Å; L109-Y113 WeakPolarHBondContact O-CD2 3.17Å; L109-Y113 PolarHBondContact O-N 2.69Å |
| 110 | K | 88.8 | Confident | 87.7 | Confident | 127 Ų | 127 | 77.1 Ų | 77.1 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.2 | -52.1 | 175 | -176.5 | -173.7 | 174.2 | -168.3 | 0 | 110.8 | L17 S106 E107 S108 R112 Y113 E114 | L17-K110 HydrophobicContact CD2-CB 4.25Å; S106-K110 WeakPolarHBondContact O-CB 3.43Å; S106-K110 PolarHBondContact O-N 3.13Å; E107-K110 PolarHBondContact O-N 2.63Å; S108-K110 PolarHBondContact O-N 3.41Å; K110-R112 VanDerWaalsContact C-N 3.34Å; K110-R112 PolarHBondContact O-N 2.89Å; K110-Y113 PolarHBondContact O-N 2.91Å; K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 PolarHBondContact O-N 3.34Å |
| 111 | L | 86.5 | Confident | 87.2 | Confident | 117 Ų | 117 | 78 Ų | 78 | 61% | 0.613 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.3 | -43.2 | 179.1 | -68.5 | 169.8 | 0 | 0 | 0 | 111.7 | E107 S108 E114 E115 | E107-L111 WeakPolarHBondContact O-CG 3.43Å; E107-L111 PolarHBondContact O-N 3.15Å; S108-L111 PolarHBondContact O-N 3.1Å; L111-E114 PolarHBondContact O-N 2.87Å; L111-E115 WeakPolarHBondContact O-CB 3.37Å; L111-E115 PolarHBondContact O-N 2.94Å |
| 112 | R | 89.3 | Confident | 86.3 | Confident | 58 Ų | 58 | 82.2 Ų | 82.2 | 22% | 0.219 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.3 | -33.7 | -180 | -65.6 | -177.2 | 68.8 | -163.8 | -4.2 | 113.3 | K9 L11 E56 S108 L109 K110 V116 | K9-R112 PolarHBondContact O-NH1 3.26Å; K9-R112 PolarHBondContact O-NH2 3.33Å; L11-R112 HydrophobicContact CD1-CB 3.9Å; E56-R112 IonicContact OE2-CZ 3.11Å; E56-R112 IonicContact OE2-NH1 3.85Å; E56-R112 PolarHBondContact OE2-NH1 2.7Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.22Å; S108-R112 VanDerWaalsContact O-N 3.08Å; L109-R112 PolarHBondContact O-N 3.44Å; K110-R112 VanDerWaalsContact C-N 3.34Å; K110-R112 PolarHBondContact O-N 2.89Å; R112-V116 WeakPolarHBondContact O-CG2 3.18Å; R112-V116 PolarHBondContact O-N 3.48Å |
| 113 | Y | 88.6 | Confident | 85.8 | Confident | 19 Ų | 19 | 85.7 Ų | 85.7 | 8% | 0.075 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71 | -40.5 | 171.6 | -74.3 | -54.9 | 0 | 0 | 0 | 112.2 | L11 S14 L17 L20 E57 L109 K110 E115 V116 E117 | L11-Y113 HydrophobicContact CB-CE1 4.41Å; L11-Y113 HydrophobicContact CD1-CD1 3.67Å; L11-Y113 HydrophobicContact CD1-CE1 3.75Å; L11-Y113 HydrophobicContact CD1-CG 4.32Å; L11-Y113 HydrophobicContact CD2-CE1 4.39Å; L11-Y113 HydrophobicContact CG-CE1 4.42Å; S14-Y113 WeakPolarHBondContact CB-OH 3.18Å; S14-Y113 VanDerWaalsContact O-CE1 3.29Å; S14-Y113 WeakPolarHBondContact O-CE1 3.44Å; L17-Y113 HydrophobicContact CB-CD2 4.16Å; L17-Y113 HydrophobicContact CB-CE2 4.31Å; L17-Y113 VanDerWaalsContact N-CD2 3.27Å; L17-Y113 VanDerWaalsContact N-CE2 3.29Å; L20-Y113 HydrophobicContact CD1-CE2 3.79Å; L20-Y113 VanDerWaalsContact CD1-OH 3.28Å; L20-Y113 WeakPolarHBondContact CD1-OH 3.35Å; L20-Y113 HydrophobicContact CG-CE2 4.27Å; L20-Y113 VanDerWaalsContact CG-OH 3.29Å; L20-Y113 WeakPolarHBondContact CG-OH 3.37Å; E57-Y113 PolarHBondContact OE1-OH 3.46Å; L109-Y113 HydrophobicContact CB-CD2 4.5Å; L109-Y113 HydrophobicContact CB-CE2 4.31Å; L109-Y113 WeakPolarHBondContact O-CD2 3.17Å; L109-Y113 PolarHBondContact O-N 2.69Å; K110-Y113 PolarHBondContact O-N 2.91Å; Y113-E115 VanDerWaalsContact C-N 3.35Å; Y113-E115 PolarHBondContact O-N 3.27Å; Y113-V116 PolarHBondContact O-N 2.64Å; Y113-E117 PolarHBondContact O-N 3.12Å |
| 114 | E | 85.9 | Confident | 85.2 | Confident | 106 Ų | 106 | 85.1 Ų | 85.1 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 178.3 | -170.6 | 166.4 | -177.8 | 0 | 0 | 111.3 | K110 L111 V116 E117 V118 | K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 PolarHBondContact O-N 3.34Å; L111-E114 PolarHBondContact O-N 2.87Å; E114-V116 PolarHBondContact O-N 2.94Å; E114-E117 PolarHBondContact O-N 2.98Å; E114-V118 WeakPolarHBondContact O-CB 3.05Å; E114-V118 VanDerWaalsContact O-CG2 3.3Å; E114-V118 WeakPolarHBondContact O-CG2 3.22Å; E114-V118 PolarHBondContact O-N 3.09Å |
| 115 | E | 84.9 | Confident | 84.7 | Confident | 138 Ų | 138 | 85.3 Ų | 85.3 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.3 | -45 | 171.8 | -175.7 | 178.4 | -164.1 | 0 | 0 | 112.5 | L111 Y113 V118 R119 | L111-E115 WeakPolarHBondContact O-CB 3.37Å; L111-E115 PolarHBondContact O-N 2.94Å; Y113-E115 VanDerWaalsContact C-N 3.35Å; Y113-E115 PolarHBondContact O-N 3.27Å; E115-V118 PolarHBondContact O-N 3.35Å; E115-R119 WeakPolarHBondContact O-CB 3.38Å; E115-R119 PolarHBondContact O-N 3.3Å |
| 116 | V | 84.4 | Confident | 84.3 | Confident | 85 Ų | 85 | 91 Ų | 91 | 52% | 0.515 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | L11 R112 Y113 E114 R119 K120 | L11-V116 HydrophobicContact CD1-CG2 4.3Å; R112-V116 WeakPolarHBondContact O-CG2 3.18Å; R112-V116 PolarHBondContact O-N 3.48Å; Y113-V116 PolarHBondContact O-N 2.64Å; E114-V116 PolarHBondContact O-N 2.94Å; V116-R119 PolarHBondContact O-N 3.43Å; V116-K120 WeakPolarHBondContact O-CB 3.5Å; V116-K120 PolarHBondContact O-N 3.25Å |
| 117 | E | 84.1 | Confident | 83.8 | Confident | 109 Ų | 109 | 98.9 Ų | 98.9 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 177.3 | -164 | -174.5 | 148.9 | 0 | 0 | 111.8 | Y113 E114 K120 K121 | Y113-E117 PolarHBondContact O-N 3.12Å; E114-E117 PolarHBondContact O-N 2.98Å; E117-K120 PolarHBondContact O-N 2.84Å; E117-K121 WeakPolarHBondContact O-CG 3.14Å; E117-K121 PolarHBondContact O-N 2.88Å; E117-K121 WeakPolarHBondContact OE1-CE 3.28Å; E117-K121 IonicContact OE1-NZ 3.77Å; E117-K121 PolarHBondContact OE1-NZ 3.06Å |
| 118 | V | 82.7 | Confident | 83.1 | Confident | 77 Ų | 77 | 97.9 Ų | 97.9 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 173.9 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | E114 E115 K120 K121 L122 | E114-V118 WeakPolarHBondContact O-CB 3.05Å; E114-V118 VanDerWaalsContact O-CG2 3.3Å; E114-V118 WeakPolarHBondContact O-CG2 3.22Å; E114-V118 PolarHBondContact O-N 3.09Å; E115-V118 PolarHBondContact O-N 3.35Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 2.81Å; V118-K121 PolarHBondContact O-N 2.89Å; V118-L122 HydrophobicContact CG1-CD1 4.13Å; V118-L122 WeakPolarHBondContact O-CG 3.5Å; V118-L122 PolarHBondContact O-N 3.13Å |
| 119 | R | 77.1 | Confident | 82.4 | Confident | 91 Ų | 91 | 100 Ų | 100 | 34% | 0.343 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 175.5 | -179.7 | 173.8 | 178.3 | 151.5 | 3.4 | 111.3 | E115 V116 K121 L122 E123 N164 E165 | E115-R119 WeakPolarHBondContact O-CB 3.38Å; E115-R119 PolarHBondContact O-N 3.3Å; V116-R119 PolarHBondContact O-N 3.43Å; R119-K121 PolarHBondContact O-N 3.19Å; R119-L122 WeakPolarHBondContact O-CB 3.38Å; R119-L122 PolarHBondContact O-N 3.1Å; R119-E123 HydrophobicContact CG-CG 4.43Å; R119-E123 IonicContact CZ-OE1 3.78Å; R119-E123 IonicContact NE-OE1 2.76Å; R119-E123 PolarHBondContact NE-OE1 3.43Å; R119-E123 IonicContact NH2-OE1 3.59Å; R119-E123 PolarHBondContact NH2-OE1 2.93Å; R119-E123 WeakPolarHBondContact O-CG 3.36Å; R119-E123 PolarHBondContact O-N 3.08Å; R119-N164 PolarHBondContact NH2-OD1 3.47Å; R119-E165 PolarHBondContact NH2-O 2.95Å |
| 120 | K | 81.5 | Confident | 81.5 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 178.2 | -171.5 | -173.6 | 175.1 | -144.8 | 0 | 112.2 | V116 E117 V118 L122 E123 E124 | V116-K120 WeakPolarHBondContact O-CB 3.5Å; V116-K120 PolarHBondContact O-N 3.25Å; E117-K120 PolarHBondContact O-N 2.84Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 2.81Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 3.43Å; K120-E123 PolarHBondContact O-N 2.89Å; K120-E124 WeakPolarHBondContact CE-OE1 3.23Å; K120-E124 IonicContact NZ-OE1 3.81Å; K120-E124 PolarHBondContact NZ-OE1 3.25Å; K120-E124 VanDerWaalsContact NZ-OE1 3.16Å; K120-E124 WeakPolarHBondContact O-CB 3.14Å; K120-E124 WeakPolarHBondContact O-CG 3.09Å; K120-E124 PolarHBondContact O-N 2.84Å |
| 121 | K | 79.6 | Confident | 80.7 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 50% | 0.496 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -34.4 | 176.2 | -74 | 169.3 | -176.9 | 167.1 | 0 | 112.7 | E117 V118 R119 K125 | E117-K121 WeakPolarHBondContact O-CG 3.14Å; E117-K121 PolarHBondContact O-N 2.88Å; E117-K121 WeakPolarHBondContact OE1-CE 3.28Å; E117-K121 IonicContact OE1-NZ 3.77Å; E117-K121 PolarHBondContact OE1-NZ 3.06Å; V118-K121 PolarHBondContact O-N 2.89Å; R119-K121 PolarHBondContact O-N 3.19Å; K121-K125 VanDerWaalsContact O-CB 3.29Å; K121-K125 WeakPolarHBondContact O-CB 3.39Å; K121-K125 PolarHBondContact O-N 3.43Å |
| 122 | L | 73.8 | Confident | 80 | Confident | 110 Ų | 110 | 105.5 Ų | 105.5 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.8 | -47.5 | 173.9 | -68.9 | 167.9 | 0 | 0 | 0 | 111.4 | V118 R119 K120 E124 K125 E126 | V118-L122 HydrophobicContact CG1-CD1 4.13Å; V118-L122 WeakPolarHBondContact O-CG 3.5Å; V118-L122 PolarHBondContact O-N 3.13Å; R119-L122 WeakPolarHBondContact O-CB 3.38Å; R119-L122 PolarHBondContact O-N 3.1Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 3.43Å; L122-E124 PolarHBondContact O-N 2.89Å; L122-K125 PolarHBondContact O-N 3.2Å; L122-E126 PolarHBondContact O-N 2.92Å |
| 123 | E | 78.8 | Confident | 79 | Confident | 77 Ų | 77 | 108.6 Ų | 108.6 | 36% | 0.36 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 176.5 | -69.4 | 176.8 | -176.6 | 0 | 0 | 111.6 | R119 K120 R127 N164 | R119-E123 HydrophobicContact CG-CG 4.43Å; R119-E123 IonicContact CZ-OE1 3.78Å; R119-E123 IonicContact NE-OE1 2.76Å; R119-E123 PolarHBondContact NE-OE1 3.43Å; R119-E123 IonicContact NH2-OE1 3.59Å; R119-E123 PolarHBondContact NH2-OE1 2.93Å; R119-E123 WeakPolarHBondContact O-CG 3.36Å; R119-E123 PolarHBondContact O-N 3.08Å; K120-E123 PolarHBondContact O-N 2.89Å; E123-R127 VanDerWaalsContact O-CB 3.3Å; E123-R127 WeakPolarHBondContact O-CB 3.25Å; E123-R127 PolarHBondContact O-N 3.32Å; E123-R127 VanDerWaalsContact O-N 3.16Å; E123-N164 PolarHBondContact OE1-ND2 2.93Å |
| 124 | E | 79.5 | Confident | 78 | Confident | 103 Ų | 103 | 116.7 Ų | 116.7 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 174.2 | -76.4 | -179.5 | 171.5 | 0 | 0 | 112.6 | K120 L122 R127 L128 | K120-E124 WeakPolarHBondContact CE-OE1 3.23Å; K120-E124 IonicContact NZ-OE1 3.81Å; K120-E124 PolarHBondContact NZ-OE1 3.25Å; K120-E124 VanDerWaalsContact NZ-OE1 3.16Å; K120-E124 WeakPolarHBondContact O-CB 3.14Å; K120-E124 WeakPolarHBondContact O-CG 3.09Å; K120-E124 PolarHBondContact O-N 2.84Å; L122-E124 PolarHBondContact O-N 2.89Å; E124-R127 PolarHBondContact O-N 2.94Å; E124-L128 PolarHBondContact O-N 2.87Å |
| 125 | K | 80.3 | Confident | 76.9 | Confident | 127 Ų | 127 | 116 Ų | 116 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -48.6 | 175.9 | 178.2 | -178.9 | 168.7 | -176.9 | 0 | 111.9 | K121 L122 R127 L128 E129 | K121-K125 VanDerWaalsContact O-CB 3.29Å; K121-K125 WeakPolarHBondContact O-CB 3.39Å; K121-K125 PolarHBondContact O-N 3.43Å; L122-K125 PolarHBondContact O-N 3.2Å; K125-R127 PolarHBondContact O-N 3.42Å; K125-L128 WeakPolarHBondContact O-CA 3.41Å; K125-L128 WeakPolarHBondContact O-CB 3.37Å; K125-L128 PolarHBondContact O-N 3.06Å; K125-E129 WeakPolarHBondContact CE-OE1 3.16Å; K125-E129 IonicContact NZ-OE1 2.85Å; K125-E129 PolarHBondContact O-N 3.04Å |
| 126 | E | 82 | Confident | 75.5 | Confident | 134 Ų | 134 | 115.2 Ų | 115.2 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -56.8 | -42 | 177.4 | -178.6 | 167.8 | -143.3 | 0 | 0 | 111 | L122 L128 E129 E130 | L122-E126 PolarHBondContact O-N 2.92Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-L128 PolarHBondContact O-N 2.94Å; E126-E129 PolarHBondContact O-N 3.24Å; E126-E130 PolarHBondContact O-N 3.31Å |
| 127 | R | 80.9 | Confident | 74.1 | Confident | 194 Ų | 194 | 115.3 Ų | 115.3 | 73% | 0.732 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.9 | -29.2 | 176.2 | -154 | 168.8 | -161.5 | -99.2 | -1.7 | 113.7 | E123 E124 K125 K131 | E123-R127 VanDerWaalsContact O-CB 3.3Å; E123-R127 WeakPolarHBondContact O-CB 3.25Å; E123-R127 PolarHBondContact O-N 3.32Å; E123-R127 VanDerWaalsContact O-N 3.16Å; E124-R127 PolarHBondContact O-N 2.94Å; K125-R127 PolarHBondContact O-N 3.42Å; R127-K131 WeakPolarHBondContact O-CB 3.22Å; R127-K131 PolarHBondContact O-N 3.32Å |
| 128 | L | 74.9 | Confident | 72.3 | Confident | 116 Ų | 116 | 115 Ų | 115 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -73.4 | -38.6 | 171.8 | -135.7 | 79.7 | 0 | 0 | 0 | 111.6 | E124 K125 E126 K131 K132 | E124-L128 PolarHBondContact O-N 2.87Å; K125-L128 WeakPolarHBondContact O-CA 3.41Å; K125-L128 WeakPolarHBondContact O-CB 3.37Å; K125-L128 PolarHBondContact O-N 3.06Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-L128 PolarHBondContact O-N 2.94Å; L128-K131 PolarHBondContact O-N 3.16Å; L128-K132 PolarHBondContact O-N 2.79Å |
| 129 | E | 76.1 | Confident | 70.6 | Confident | 81 Ų | 81 | 119.6 Ų | 119.6 | 38% | 0.379 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 175.1 | -70.9 | -176 | -161.3 | 0 | 0 | 112.2 | K125 E126 K131 K132 K133 | K125-E129 WeakPolarHBondContact CE-OE1 3.16Å; K125-E129 IonicContact NZ-OE1 2.85Å; K125-E129 PolarHBondContact O-N 3.04Å; E126-E129 PolarHBondContact O-N 3.24Å; E129-K131 VanDerWaalsContact C-N 3.3Å; E129-K131 PolarHBondContact O-N 2.98Å; E129-K132 PolarHBondContact O-N 3.35Å; E129-K133 WeakPolarHBondContact O-CB 3.5Å; E129-K133 WeakPolarHBondContact O-CD 3.44Å; E129-K133 VanDerWaalsContact O-CG 3.22Å; E129-K133 WeakPolarHBondContact O-CG 3.41Å; E129-K133 PolarHBondContact O-N 3.15Å; E129-K133 IonicContact OE2-NZ 2.72Å |
| 130 | E | 71.1 | Confident | 69.2 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.6 | -41.3 | 168.5 | -80.3 | -150.3 | 118.4 | 0 | 0 | 112.2 | E126 K133 R134 | E126-E130 PolarHBondContact O-N 3.31Å; E130-K133 PolarHBondContact O-N 3.34Å; E130-R134 WeakPolarHBondContact O-CG 3.38Å; E130-R134 PolarHBondContact O-N 3.42Å |
| 131 | K | 72.8 | Confident | 67.2 | Low | 113 Ų | 113 | 124.8 Ų | 124.8 | 49% | 0.491 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.9 | -45.1 | 179.9 | -169.8 | 172.1 | 178.2 | -68.1 | 0 | 111.3 | R127 L128 E129 R134 E135 | R127-K131 WeakPolarHBondContact O-CB 3.22Å; R127-K131 PolarHBondContact O-N 3.32Å; L128-K131 PolarHBondContact O-N 3.16Å; E129-K131 VanDerWaalsContact C-N 3.3Å; E129-K131 PolarHBondContact O-N 2.98Å; K131-R134 PolarHBondContact O-N 2.73Å; K131-E135 WeakPolarHBondContact CE-OE1 3.23Å; K131-E135 IonicContact NZ-OE1 3.25Å; K131-E135 PolarHBondContact NZ-OE1 2.86Å; K131-E135 IonicContact NZ-OE2 3.03Å; K131-E135 PolarHBondContact NZ-OE2 3.17Å; K131-E135 WeakPolarHBondContact O-CG 3.36Å; K131-E135 PolarHBondContact O-N 2.98Å |
| 132 | K | 71.1 | Confident | 65.1 | Low | 133 Ų | 133 | 122.5 Ų | 122.5 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57.6 | -48.8 | 171.3 | -78 | -168.2 | 172.1 | -168.2 | 0 | 112.1 | L128 E129 R134 E135 E136 | L128-K132 PolarHBondContact O-N 2.79Å; E129-K132 PolarHBondContact O-N 3.35Å; K132-R134 PolarHBondContact O-N 3.49Å; K132-E135 PolarHBondContact O-N 3.4Å; K132-E136 WeakPolarHBondContact O-CG 3.24Å; K132-E136 PolarHBondContact O-N 3.27Å |
| 133 | K | 69.5 | Low | 63.3 | Low | 123 Ų | 123 | 128.2 Ų | 128.2 | 54% | 0.535 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.8 | -28.3 | 177.5 | -73.5 | 164 | -174.1 | 159.2 | 0 | 113.2 | E129 E130 V137 | E129-K133 WeakPolarHBondContact O-CB 3.5Å; E129-K133 WeakPolarHBondContact O-CD 3.44Å; E129-K133 VanDerWaalsContact O-CG 3.22Å; E129-K133 WeakPolarHBondContact O-CG 3.41Å; E129-K133 PolarHBondContact O-N 3.15Å; E129-K133 IonicContact OE2-NZ 2.72Å; E130-K133 PolarHBondContact O-N 3.34Å; K133-V137 VanDerWaalsContact O-CG2 3.23Å; K133-V137 WeakPolarHBondContact O-CG2 3.34Å |
| 134 | R | 67 | Low | 61 | Low | 188 Ų | 188 | 132.1 Ų | 132.1 | 71% | 0.709 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.6 | -42.1 | 172 | -77.9 | 177.3 | 168.1 | -83 | -2.9 | 112.3 | E130 K131 K132 V137 T138 | E130-R134 WeakPolarHBondContact O-CG 3.38Å; E130-R134 PolarHBondContact O-N 3.42Å; K131-R134 PolarHBondContact O-N 2.73Å; K132-R134 PolarHBondContact O-N 3.49Å; R134-V137 PolarHBondContact O-N 3.24Å; R134-T138 PolarHBondContact O-N 2.78Å; R134-T138 VanDerWaalsContact O-N 3.12Å; R134-T138 PolarHBondContact O-OG1 3.28Å |
| 135 | E | 62.9 | Low | 58.7 | Low | 92 Ų | 92 | 132.6 Ų | 132.6 | 43% | 0.43 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.8 | -43.6 | -178.8 | -73.4 | 166.8 | 169 | 0 | 0 | 111.4 | K131 K132 V137 T138 E139 | K131-E135 WeakPolarHBondContact CE-OE1 3.23Å; K131-E135 IonicContact NZ-OE1 3.25Å; K131-E135 PolarHBondContact NZ-OE1 2.86Å; K131-E135 IonicContact NZ-OE2 3.03Å; K131-E135 PolarHBondContact NZ-OE2 3.17Å; K131-E135 WeakPolarHBondContact O-CG 3.36Å; K131-E135 PolarHBondContact O-N 2.98Å; K132-E135 PolarHBondContact O-N 3.4Å; E135-V137 PolarHBondContact O-N 3.13Å; E135-T138 WeakPolarHBondContact CA-OG1 3.5Å; E135-T138 PolarHBondContact O-N 3.36Å; E135-T138 VanDerWaalsContact O-N 3.16Å; E135-T138 PolarHBondContact O-OG1 2.95Å; E135-E139 PolarHBondContact O-N 2.84Å |
| 136 | E | 56.5 | Low | 57.7 | Low | 122 Ų | 122 | 131.5 Ų | 131.5 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.6 | -23.3 | 172.7 | -71.6 | 178.9 | 160.1 | 0 | 0 | 114.4 | K132 | K132-E136 WeakPolarHBondContact O-CG 3.24Å; K132-E136 PolarHBondContact O-N 3.27Å |
| 137 | V | 53.4 | Low | 55.2 | Low | 87 Ų | 87 | 135.1 Ų | 135.1 | 53% | 0.527 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -82 | -41.8 | 174.4 | 166.6 | 0 | 0 | 0 | 0 | 110.5 | K133 R134 E135 E139 K140 | K133-V137 VanDerWaalsContact O-CG2 3.23Å; K133-V137 WeakPolarHBondContact O-CG2 3.34Å; R134-V137 PolarHBondContact O-N 3.24Å; E135-V137 PolarHBondContact O-N 3.13Å; V137-E139 VanDerWaalsContact C-N 3.3Å; V137-E139 PolarHBondContact O-N 2.79Å; V137-K140 PolarHBondContact O-N 3.35Å; V137-K140 VanDerWaalsContact O-N 3.15Å |
| 138 | T | 46.5 | Very low | 52.8 | Low | 103 Ų | 103 | 130.4 Ų | 130.4 | 63% | 0.632 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66 | -24.6 | 178.9 | 35.7 | 0 | 0 | 0 | 0 | 114.9 | R134 E135 K140 | R134-T138 PolarHBondContact O-N 2.78Å; R134-T138 VanDerWaalsContact O-N 3.12Å; R134-T138 PolarHBondContact O-OG1 3.28Å; E135-T138 WeakPolarHBondContact CA-OG1 3.5Å; E135-T138 PolarHBondContact O-N 3.36Å; E135-T138 VanDerWaalsContact O-N 3.16Å; E135-T138 PolarHBondContact O-OG1 2.95Å; T138-K140 VanDerWaalsContact C-N 3.27Å; T138-K140 PolarHBondContact O-N 3.15Å |
| 139 | E | 47 | Very low | 50.5 | Low | 172 Ų | 172 | 129.9 Ų | 129.9 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -16.5 | 174 | -73 | -163.2 | 132 | 0 | 0 | 113.9 | E135 V137 | E135-E139 PolarHBondContact O-N 2.84Å; V137-E139 VanDerWaalsContact C-N 3.3Å; V137-E139 PolarHBondContact O-N 2.79Å |
| 140 | K | 47.7 | Very low | 48.3 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -27.1 | -175.2 | -74.9 | 179.1 | 178.1 | 168.3 | 0 | 115.1 | V137 T138 G142 | V137-K140 PolarHBondContact O-N 3.35Å; V137-K140 VanDerWaalsContact O-N 3.15Å; T138-K140 VanDerWaalsContact C-N 3.27Å; T138-K140 PolarHBondContact O-N 3.15Å; K140-G142 PolarHBondContact O-N 3.07Å |
| 141 | D | 41 | Very low | 46.4 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -88.1 | 21.4 | 179.9 | -68.4 | -30.1 | 0 | 0 | 0 | 113.2 | R143 | D141-R143 VanDerWaalsContact C-N 3.29Å; D141-R143 PolarHBondContact O-N 3.38Å |
| 142 | G | 34.2 | Very low | 44.2 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | trans | -76.7 | 32.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | K140 | K140-G142 PolarHBondContact O-N 3.07Š| ||
| 143 | R | 35.4 | Very low | 42.3 | Very low | 230 Ų | 230 | 136.3 Ų | 136.3 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -140.3 | 125.9 | 171.8 | -94.4 | -178.1 | -176.8 | 175.7 | 2.3 | 114.7 | D141 | D141-R143 VanDerWaalsContact C-N 3.29Å; D141-R143 PolarHBondContact O-N 3.38Å |
| 144 | N | 30.6 | Very low | 40.2 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | 69 | 89.2 | 163.2 | -60.6 | 2 | 0 | 0 | 0 | 118.4 | ||||
| 145 | S | 31.9 | Very low | 38.3 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | trans | -93 | -169.4 | 143.1 | 71.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 146 | P | 59.3 | Low | 36.5 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | cis | -133.2 | 175.4 | -15.1 | 40.3 | -25.6 | 0 | 0 | 0 | 113.8 | ||||
| 147 | K | 29.6 | Very low | 35.2 | Very low | 209 Ų | 209 | 139.3 Ų | 139.3 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | -170.2 | 159.7 | 123.9 | -102.6 | 159.1 | -173.3 | 176.6 | 0 | 111 | |||||
| 148 | A | 29.8 | Very low | 33.8 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -148.7 | 159.5 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 149 | S | 27.9 | Very low | 32.8 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -160.1 | 116.5 | 144.6 | -18.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 150 | T | 29.3 | Very low | 31.8 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | 49.9 | 131.3 | 86.4 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 151 | I | 30.5 | Very low | 30.7 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | cis | -159.2 | 166.8 | 25.1 | -142.5 | 172.4 | 0 | 0 | 0 | 109 | ||||
| 152 | N | 28.3 | Very low | 29.9 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | cis | -153.6 | -160.4 | 12.2 | -152.6 | -13.7 | 0 | 0 | 0 | 113 | ||||
| 153 | K | 29.9 | Very low | 29.4 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -78.9 | 177.6 | 178.7 | -66.7 | 159.5 | -176.7 | 166.9 | 0 | 114.4 | ||||
| 154 | K | 26.7 | Very low | 28.9 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | cis | -161.6 | 166 | 14.7 | -142.3 | 166.1 | 168.1 | -89.4 | 0 | 114.9 | ||||
| 155 | D | 25.7 | Very low | 28.7 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 57% | 0.572 | 76% | 0.756 | S | S | * | * | trans | 76.2 | 96.2 | 148.3 | -75.9 | -42.3 | 0 | 0 | 0 | 125.3 | ||||
| 156 | S | 25.9 | Very low | 28.4 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | 63.1 | 91.8 | 103.3 | -53.2 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 157 | K | 28.2 | Very low | 27 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 95% | 0.948 | 76% | 0.758 | S | S | * | * | -170.1 | 137.6 | 111.7 | -105.3 | 167.4 | -176.4 | 175.2 | 0 | 112.4 | |||||
| 158 | K | 25.2 | Very low | 26.7 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | -136.4 | 105.9 | 178.1 | -175 | 177.4 | -176.5 | 177.3 | 0 | 109.5 | ||||
| 159 | V | 25.7 | Very low | 26.7 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 137.5 | 167.6 | 179 | 0 | 0 | 0 | 0 | 107.8 | ||
| 160 | K | 24.3 | Very low | 26.7 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 137.1 | 176.6 | -66.4 | 176.8 | 177.3 | 178.5 | 0 | 109.9 | ||
| 161 | G | 25.4 | Very low | 26.6 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 133.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 162 | E | 23.4 | Very low | 26.6 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | trans | -106.8 | 90.8 | 168.4 | -75 | 175.9 | 167.7 | 0 | 0 | 107.7 | ||||
| 163 | Q | 23.5 | Very low | 26.6 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 94% | 0.935 | 76% | 0.76 | S | S | * | * | trans | -92.2 | 101.8 | 160.5 | -69.3 | -179.1 | -53.4 | 0 | 0 | 106.3 | ||||
| 164 | N | 25.5 | Very low | 27 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 60% | 0.599 | 76% | 0.759 | S | S | * | * | trans | -101.3 | 140.3 | 161.8 | -159.7 | -10.5 | 0 | 0 | 0 | 108 | R119 E123 | R119-N164 PolarHBondContact NH2-OD1 3.47Å; E123-N164 PolarHBondContact OE1-ND2 2.93Å | ||
| 165 | E | 26.1 | Very low | 27.9 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 56% | 0.561 | 75% | 0.747 | S | S | * | * | trans | -82.6 | 139.4 | -176 | -60.1 | -175.6 | 138.9 | 0 | 0 | 110.8 | R119 K167 | R119-E165 PolarHBondContact NH2-O 2.95Å; E165-K167 WeakPolarHBondContact OE2-CE 3.47Å; E165-K167 IonicContact OE2-NZ 2.6Å; E165-K167 PolarHBondContact OE2-NZ 2.97Å | ||
| 166 | L | 25.9 | Very low | 29 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | trans | -111.9 | 100.7 | 158.9 | -129 | 78 | 0 | 0 | 0 | 108.9 | ||||
| 167 | K | 29.6 | Very low | 31.1 | Very low | 160 Ų | 160 | 136 Ų | 136 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 131.7 | 171.9 | -71.4 | 172.6 | 168.1 | 111.3 | 0 | 108.8 | E165 V169 | E165-K167 WeakPolarHBondContact OE2-CE 3.47Å; E165-K167 IonicContact OE2-NZ 2.6Å; E165-K167 PolarHBondContact OE2-NZ 2.97Å; K167-V169 PolarHBondContact O-N 3.04Å |
| 168 | S | 24.5 | Very low | 33.7 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 119.2 | 173.2 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 169 | V | 28.5 | Very low | 36.8 | Very low | 124 Ų | 124 | 116.8 Ų | 116.8 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 120.2 | 170 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | K167 T171 | K167-V169 PolarHBondContact O-N 3.04Å; V169-T171 HydrophobicContact CG1-CG2 4.46Å |
| 170 | I | 28.5 | Very low | 40 | Very low | 163 Ų | 163 | 110.2 Ų | 110.2 | 84% | 0.836 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 128.4 | 157.9 | -66.6 | 179.9 | 0 | 0 | 0 | 106.9 | ||
| 171 | T | 27.1 | Very low | 43.4 | Very low | 120 Ų | 120 | 104.5 Ų | 104.5 | 74% | 0.736 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 133.7 | -171.3 | 31.4 | 0 | 0 | 0 | 0 | 112.2 | V169 | V169-T171 HydrophobicContact CG1-CG2 4.46Š|
| 172 | K | 29.8 | Very low | 46.6 | Very low | 194 Ų | 194 | 101.1 Ų | 101.1 | 84% | 0.843 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 144.7 | 146.5 | -66.7 | -175.2 | 175.6 | -170.7 | 0 | 107.8 | A174 | K172-A174 PolarHBondContact O-N 3.04Š|
| 173 | A | 29.7 | Very low | 49.8 | Very low | 103 Ų | 103 | 98.9 Ų | 98.9 | 85% | 0.851 | 56% | 0.558 | S | S | * | * | trans | -61.4 | 108.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 174 | A | 36.9 | Very low | 53.1 | Low | 90 Ų | 90 | 93.5 Ų | 93.5 | 74% | 0.744 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 133.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | K172 | K172-A174 PolarHBondContact O-N 3.04Š|
| 175 | Q | 45.7 | Very low | 56.4 | Low | 102 Ų | 102 | 88.1 Ų | 88.1 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 136.5 | 166.5 | -70.5 | -171.6 | -37.3 | 0 | 0 | 108.1 | A177 | Q175-A177 PolarHBondContact O-N 2.95Š|
| 176 | P | 50.6 | Low | 59.6 | Low | 51 Ų | 51 | 83.3 Ų | 83.3 | 33% | 0.331 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 139.5 | 173.8 | 23.9 | -32.7 | 0 | 0 | 0 | 109.6 | G178 G179 A266 E299 | P176-G178 PolarHBondContact O-N 3.14Å; P176-G179 PolarHBondContact O-N 3.21Å; P176-A266 HydrophobicContact CB-CB 4.11Å; P176-A266 HydrophobicContact CG-CB 3.97Å; P176-E299 WeakPolarHBondContact CG-OE2 3.5Å |
| 177 | A | 68.4 | Low | 62.7 | Low | 101 Ų | 101 | 80.1 Ų | 80.1 | 84% | 0.835 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 122.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q175 | Q175-A177 PolarHBondContact O-N 2.95Š|
| 178 | G | 82.8 | Confident | 65.7 | Low | 13 Ų | 13 | 73.5 Ų | 73.5 | 13% | 0.134 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 4.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | P176 L296 V297 | P176-G178 PolarHBondContact O-N 3.14Å; G178-L296 CarbonylContact O-C 3.56Å; G178-L296 VanDerWaalsContact O-CA 3.23Å; G178-L296 WeakPolarHBondContact O-CA 3.46Å; G178-V297 PolarHBondContact O-N 2.78Å |
| 179 | G | 90.2 | Very high | 68.8 | Low | 6 Ų | 6 | 69 Ų | 69 | 6% | 0.062 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 149.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P176 E299 | P176-G179 PolarHBondContact O-N 3.21Å; G179-E299 WeakPolarHBondContact CA-OE1 3.46Å |
| 180 | I | 94.6 | Very high | 71.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 127.4 | 169.9 | -173.8 | 167.8 | 0 | 0 | 0 | 111.1 | K184 L185 M188 V258 L296 V297 L298 E299 | I180-K184 HydrophobicContact CD1-CB 4.44Å; I180-K184 HydrophobicContact CD1-CG 4.13Å; I180-K184 HydrophobicContact CG1-CB 3.97Å; I180-K184 HydrophobicContact CG1-CD 4.11Å; I180-K184 HydrophobicContact CG1-CG 4.01Å; I180-L185 HydrophobicContact CD1-CB 3.96Å; I180-L185 HydrophobicContact CD1-CD1 4.45Å; I180-L185 HydrophobicContact CG1-CB 4.17Å; I180-M188 HydrophobicContact CD1-CE 4.24Å; I180-M188 HydrophobicContact CD1-SD 3.62Å; I180-V258 HydrophobicContact CG2-CG1 3.6Å; I180-V258 HydrophobicContact CG2-CG2 4.4Å; I180-L296 HydrophobicContact CB-CB 4.13Å; I180-L296 HydrophobicContact CB-CD1 4.12Å; I180-L296 HydrophobicContact CD1-CD1 4.04Å; I180-L296 HydrophobicContact CG2-CB 3.73Å; I180-L296 HydrophobicContact CG2-CD1 4.42Å; I180-V297 WeakPolarHBondContact CG2-O 3.19Å; I180-V297 PolarHBondContact N-O 3.03Å; I180-L298 WeakPolarHBondContact O-CA 3.3Å; I180-E299 PolarHBondContact O-N 3.04Å |
| 181 | T | 94.8 | Very high | 74.4 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 28% | 0.282 | 37% | 0.366 | S | S | . | . | trans | -74.4 | 150.9 | 175.5 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | E183 K184 L185 E299 | T181-E183 PolarHBondContact O-N 3.2Å; T181-K184 PolarHBondContact O-N 3.37Å; T181-K184 WeakPolarHBondContact OG1-CB 3.42Å; T181-L185 PolarHBondContact O-N 3.05Å; T181-E299 HydrophobicContact CG2-CG 4.49Å | ||
| 182 | A | 92.3 | Very high | 77 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 2% | 0.017 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -52.7 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L185 F186 L298 W305 F308 Y309 | A182-L185 PolarHBondContact O-N 3.27Å; A182-F186 VanDerWaalsContact O-CB 3.27Å; A182-F186 WeakPolarHBondContact O-CB 3.43Å; A182-F186 PolarHBondContact O-N 2.84Å; A182-L298 HydrophobicContact CB-CD1 4.09Å; A182-W305 HydrophobicContact CB-CE3 4.05Å; A182-W305 WeakPolarHBondContact O-CZ3 3.42Å; A182-F308 HydrophobicContact CB-CD2 4.37Å; A182-Y309 HydrophobicContact CB-CD2 4.2Å; A182-Y309 HydrophobicContact CB-CE2 3.99Å |
| 183 | E | 91.9 | Very high | 79.7 | Confident | 120 Ų | 120 | 62.1 Ų | 62.1 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.7 | -47.4 | 175.3 | -178.6 | -170 | -158.2 | 0 | 0 | 112.9 | T181 L185 F186 N187 Y309 | T181-E183 PolarHBondContact O-N 3.2Å; E183-L185 VanDerWaalsContact C-N 3.33Å; E183-L185 PolarHBondContact O-N 3.18Å; E183-F186 PolarHBondContact O-N 3Å; E183-N187 WeakPolarHBondContact O-CB 3.35Å; E183-N187 PolarHBondContact O-N 2.91Å; E183-N187 PolarHBondContact O-ND2 3.1Å; E183-Y309 WeakPolarHBondContact CA-OH 3.47Å |
| 184 | K | 92.4 | Very high | 82.5 | Confident | 87 Ų | 87 | 59.2 Ų | 59.2 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 179.6 | -176.2 | 176.5 | 171.5 | -167.5 | 0 | 110.8 | I180 T181 M188 | I180-K184 HydrophobicContact CD1-CB 4.44Å; I180-K184 HydrophobicContact CD1-CG 4.13Å; I180-K184 HydrophobicContact CG1-CB 3.97Å; I180-K184 HydrophobicContact CG1-CD 4.11Å; I180-K184 HydrophobicContact CG1-CG 4.01Å; T181-K184 PolarHBondContact O-N 3.37Å; T181-K184 WeakPolarHBondContact OG1-CB 3.42Å; K184-M188 HydrophobicContact CG-SD 4.1Å; K184-M188 WeakPolarHBondContact O-CB 3.38Å; K184-M188 VanDerWaalsContact O-CG 3.26Å; K184-M188 WeakPolarHBondContact O-CG 3.24Å; K184-M188 PolarHBondContact O-N 3.13Å |
| 185 | L | 94 | Very high | 85.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 172.3 | 176 | 59.4 | 0 | 0 | 0 | 111.3 | I180 T181 A182 E183 N187 M188 M189 V196 V198 I212 V258 L298 W305 | I180-L185 HydrophobicContact CD1-CB 3.96Å; I180-L185 HydrophobicContact CD1-CD1 4.45Å; I180-L185 HydrophobicContact CG1-CB 4.17Å; T181-L185 PolarHBondContact O-N 3.05Å; A182-L185 PolarHBondContact O-N 3.27Å; E183-L185 VanDerWaalsContact C-N 3.33Å; E183-L185 PolarHBondContact O-N 3.18Å; L185-N187 PolarHBondContact O-N 2.93Å; L185-M188 PolarHBondContact O-N 3.12Å; L185-M189 HydrophobicContact CD1-CG 3.89Å; L185-M189 HydrophobicContact CD1-SD 3.7Å; L185-M189 HydrophobicContact CD2-SD 4.36Å; L185-M189 HydrophobicContact CG-CG 4.34Å; L185-M189 HydrophobicContact CG-SD 3.75Å; L185-M189 WeakPolarHBondContact O-CB 3.34Å; L185-M189 VanDerWaalsContact O-CG 3.27Å; L185-M189 WeakPolarHBondContact O-CG 3.42Å; L185-M189 PolarHBondContact O-N 2.86Å; L185-V196 HydrophobicContact CD1-CG1 4.03Å; L185-V198 HydrophobicContact CD1-CG2 4.26Å; L185-I212 HydrophobicContact CD2-CD1 4.48Å; L185-V258 HydrophobicContact CD1-CB 4.36Å; L185-V258 HydrophobicContact CD1-CG1 4.33Å; L185-V258 HydrophobicContact CD1-CG2 4.01Å; L185-V258 HydrophobicContact CD2-CG1 4.25Å; L185-L298 HydrophobicContact CD2-CD1 3.91Å; L185-L298 HydrophobicContact CD2-CD2 4.16Å; L185-W305 HydrophobicContact CB-CZ3 4.1Å; L185-W305 HydrophobicContact CD2-CE3 4.03Å; L185-W305 HydrophobicContact CD2-CZ3 3.7Å; L185-W305 HydrophobicContact CG-CH2 4.39Å; L185-W305 HydrophobicContact CG-CZ3 3.76Å |
| 186 | F | 93.1 | Very high | 87.4 | Confident | 18 Ų | 18 | 52 Ų | 52 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 179.7 | 177.8 | -110.8 | 0 | 0 | 0 | 113 | A182 E183 M189 K190 W305 Y309 Y312 | A182-F186 VanDerWaalsContact O-CB 3.27Å; A182-F186 WeakPolarHBondContact O-CB 3.43Å; A182-F186 PolarHBondContact O-N 2.84Å; E183-F186 PolarHBondContact O-N 3Å; F186-M189 PolarHBondContact O-N 3.02Å; F186-K190 HydrophobicContact CE1-CD 3.95Å; F186-K190 HydrophobicContact CE2-CD 4.23Å; F186-K190 HydrophobicContact CE2-CG 4.49Å; F186-K190 HydrophobicContact CZ-CD 3.78Å; F186-K190 PolarHBondContact O-N 2.95Å; F186-W305 HydrophobicContact CB-CH2 3.84Å; F186-W305 HydrophobicContact CB-CZ3 4.05Å; F186-W305 AromaticContact CD2-CH2 3.98Å; F186-W305 HydrophobicContact CD2-CH2 3.98Å; F186-W305 HydrophobicContact CD2-CZ2 4.33Å; F186-W305 HydrophobicContact CG-CH2 4.42Å; F186-Y309 HydrophobicContact CB-CD1 4.49Å; F186-Y309 HydrophobicContact CB-CD2 4.22Å; F186-Y309 HydrophobicContact CB-CE1 4.11Å; F186-Y309 HydrophobicContact CB-CE2 3.81Å; F186-Y309 HydrophobicContact CD1-CD1 4.08Å; F186-Y309 AromaticContact CD1-CE1 3.41Å; F186-Y309 HydrophobicContact CD1-CE1 3.41Å; F186-Y309 VanDerWaalsContact CD1-CE1 3.41Å; F186-Y309 AromaticContact CD1-CZ 3.73Å; F186-Y309 AromaticContact CD2-CD1 3.87Å; F186-Y309 HydrophobicContact CD2-CD1 3.87Å; F186-Y309 HydrophobicContact CD2-CE1 4.05Å; F186-Y309 HydrophobicContact CD2-CG 4.22Å; F186-Y309 HydrophobicContact CE1-CD1 4.14Å; F186-Y309 AromaticContact CE1-CE1 3.63Å; F186-Y309 HydrophobicContact CE1-CE1 3.63Å; F186-Y309 AromaticContact CE2-CD1 3.97Å; F186-Y309 HydrophobicContact CE2-CD1 3.97Å; F186-Y309 HydrophobicContact CE2-CE1 4.27Å; F186-Y309 AromaticContact CG-CD1 3.89Å; F186-Y309 HydrophobicContact CG-CD1 3.89Å; F186-Y309 HydrophobicContact CG-CD2 4.47Å; F186-Y309 AromaticContact CG-CE1 3.59Å; F186-Y309 HydrophobicContact CG-CE1 3.59Å; F186-Y309 HydrophobicContact CG-CE2 4.2Å; F186-Y309 HydrophobicContact CG-CG 4.34Å; F186-Y309 AromaticContact CG-CZ 3.77Å; F186-Y309 HydrophobicContact CZ-CD1 4.05Å; F186-Y309 HydrophobicContact CZ-CE1 4.03Å; F186-Y312 HydrophobicContact CD2-CD2 4.27Å; F186-Y312 HydrophobicContact CE2-CD1 4.15Å; F186-Y312 AromaticContact CE2-CD2 3.36Å; F186-Y312 HydrophobicContact CE2-CD2 3.36Å; F186-Y312 HydrophobicContact CE2-CE1 4.1Å; F186-Y312 AromaticContact CE2-CE2 3.28Å; F186-Y312 HydrophobicContact CE2-CE2 3.28Å; F186-Y312 AromaticContact CE2-CG 3.8Å; F186-Y312 HydrophobicContact CE2-CG 3.8Å; F186-Y312 AromaticContact CE2-CZ 3.67Å; F186-Y312 AromaticContact CZ-CD2 3.86Å; F186-Y312 HydrophobicContact CZ-CD2 3.86Å; F186-Y312 AromaticContact CZ-CE2 3.32Å; F186-Y312 HydrophobicContact CZ-CE2 3.32Å; F186-Y312 AromaticContact CZ-CZ 3.71Å |
| 187 | N | 92.1 | Very high | 89.6 | Confident | 88 Ų | 88 | 49.7 Ų | 49.7 | 47% | 0.471 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.9 | -70.9 | -26.7 | 0 | 0 | 0 | 111.3 | E183 L185 M189 K190 D191 | E183-N187 WeakPolarHBondContact O-CB 3.35Å; E183-N187 PolarHBondContact O-N 2.91Å; E183-N187 PolarHBondContact O-ND2 3.1Å; L185-N187 PolarHBondContact O-N 2.93Å; N187-M189 VanDerWaalsContact C-N 3.28Å; N187-M189 PolarHBondContact O-N 2.87Å; N187-K190 PolarHBondContact O-N 3.34Å; N187-D191 PolarHBondContact O-N 3.45Å |
| 188 | M | 92 | Very high | 90.9 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -33.2 | 173.5 | -73.2 | 170.2 | 57.3 | 0 | 0 | 112.8 | I180 K184 L185 I194 V196 Y256 | I180-M188 HydrophobicContact CD1-CE 4.24Å; I180-M188 HydrophobicContact CD1-SD 3.62Å; K184-M188 HydrophobicContact CG-SD 4.1Å; K184-M188 WeakPolarHBondContact O-CB 3.38Å; K184-M188 VanDerWaalsContact O-CG 3.26Å; K184-M188 WeakPolarHBondContact O-CG 3.24Å; K184-M188 PolarHBondContact O-N 3.13Å; L185-M188 PolarHBondContact O-N 3.12Å; M188-I194 HydrophobicContact CG-CD1 4.36Å; M188-V196 HydrophobicContact CB-CG2 4.26Å; M188-Y256 HydrophobicContact CE-CD1 3.82Å; M188-Y256 HydrophobicContact CE-CD2 3.36Å; M188-Y256 HydrophobicContact CE-CE1 4.15Å; M188-Y256 HydrophobicContact CE-CE2 3.74Å; M188-Y256 HydrophobicContact CE-CG 3.4Å; M188-Y256 VanDerWaalsContact CE-CG 3.4Å |
| 189 | M | 89.3 | Confident | 91.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.9 | -23.9 | 178.5 | -70.7 | 177.1 | 86 | 0 | 0 | 113.7 | L185 F186 N187 V196 V198 I212 V214 T216 Q217 W305 | L185-M189 HydrophobicContact CD1-CG 3.89Å; L185-M189 HydrophobicContact CD1-SD 3.7Å; L185-M189 HydrophobicContact CD2-SD 4.36Å; L185-M189 HydrophobicContact CG-CG 4.34Å; L185-M189 HydrophobicContact CG-SD 3.75Å; L185-M189 WeakPolarHBondContact O-CB 3.34Å; L185-M189 VanDerWaalsContact O-CG 3.27Å; L185-M189 WeakPolarHBondContact O-CG 3.42Å; L185-M189 PolarHBondContact O-N 2.86Å; F186-M189 PolarHBondContact O-N 3.02Å; N187-M189 VanDerWaalsContact C-N 3.28Å; N187-M189 PolarHBondContact O-N 2.87Å; M189-V196 HydrophobicContact CG-CB 4.24Å; M189-V196 HydrophobicContact CG-CG1 4.16Å; M189-V196 HydrophobicContact CG-CG2 4.43Å; M189-V198 HydrophobicContact CE-CG2 3.85Å; M189-V198 HydrophobicContact SD-CG2 4.02Å; M189-I212 HydrophobicContact CE-CG2 4.02Å; M189-I212 HydrophobicContact SD-CG2 4.45Å; M189-V214 HydrophobicContact CB-CG1 4.27Å; M189-V214 HydrophobicContact CB-CG2 4.42Å; M189-V214 HydrophobicContact CE-CB 4.05Å; M189-V214 HydrophobicContact CE-CG2 3.8Å; M189-V214 HydrophobicContact SD-CG2 4.22Å; M189-T216 PolarHBondContact O-OG1 3.37Å; M189-Q217 HydrophobicContact CB-CB 4.44Å; M189-Q217 HydrophobicContact CB-CG 3.83Å; M189-Q217 HydrophobicContact CE-CB 3.79Å; M189-Q217 HydrophobicContact CE-CG 4.48Å; M189-Q217 HydrophobicContact CG-CB 4.35Å; M189-Q217 HydrophobicContact CG-CG 4.07Å; M189-Q217 WeakPolarHBondContact O-CG 3.29Å; M189-W305 HydrophobicContact SD-CH2 4.06Å |
| 190 | K | 86.6 | Confident | 91.8 | Very high | 101 Ų | 101 | 44 Ų | 44 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -81.9 | -23.6 | 173.6 | -87 | -171 | 168.5 | 179.2 | 0 | 113.9 | F186 N187 Y312 | F186-K190 HydrophobicContact CE1-CD 3.95Å; F186-K190 HydrophobicContact CE2-CD 4.23Å; F186-K190 HydrophobicContact CE2-CG 4.49Å; F186-K190 HydrophobicContact CZ-CD 3.78Å; F186-K190 PolarHBondContact O-N 2.95Å; N187-K190 PolarHBondContact O-N 3.34Å; K190-Y312 WeakPolarHBondContact CE-OH 3.48Å; K190-Y312 PolarHBondContact NZ-OH 2.89Å; K190-Y312 VanDerWaalsContact NZ-OH 3.13Å |
| 191 | D | 87.6 | Confident | 91.8 | Very high | 63 Ų | 63 | 44 Ų | 44 | 34% | 0.337 | 23% | 0.225 | S | C | . | . | trans | -66.7 | 130.7 | 172.2 | -159.3 | -35.2 | 0 | 0 | 0 | 109.9 | N187 T193 I194 Q217 | N187-D191 PolarHBondContact O-N 3.45Å; D191-T193 VanDerWaalsContact C-N 3.34Å; D191-T193 VanDerWaalsContact CG-OG1 3.29Å; D191-T193 WeakPolarHBondContact OD1-CB 3.26Å; D191-T193 PolarHBondContact OD1-N 3.16Å; D191-T193 PolarHBondContact OD1-OG1 3.35Å; D191-T193 PolarHBondContact OD2-OG1 3.19Å; D191-I194 HydrophobicContact CB-CB 4.3Å; D191-I194 HydrophobicContact CB-CD1 3.96Å; D191-I194 HydrophobicContact CB-CG1 4.04Å; D191-Q217 PolarHBondContact O-NE2 3.25Å | ||
| 192 | Q | 82.2 | Confident | 91.8 | Very high | 174 Ų | 174 | 42 Ų | 42 | 81% | 0.813 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -87.5 | -8.7 | 178 | -63.6 | -178.5 | 5.6 | 0 | 0 | 112.2 | T216 | Q192-T216 HydrophobicContact CG-CG2 4.38Š|
| 193 | T | 86.3 | Confident | 91.9 | Very high | 119 Ų | 119 | 42.7 Ų | 42.7 | 73% | 0.73 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -93.3 | -10.6 | 178.1 | 70.4 | 0 | 0 | 0 | 0 | 113.4 | D191 | D191-T193 VanDerWaalsContact C-N 3.34Å; D191-T193 VanDerWaalsContact CG-OG1 3.29Å; D191-T193 WeakPolarHBondContact OD1-CB 3.26Å; D191-T193 PolarHBondContact OD1-N 3.16Å; D191-T193 PolarHBondContact OD1-OG1 3.35Å; D191-T193 PolarHBondContact OD2-OG1 3.19Å |
| 194 | I | 89.8 | Confident | 91.9 | Very high | 41 Ų | 41 | 40 Ų | 40 | 21% | 0.21 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -111.2 | 130.4 | 179.9 | -55 | 177 | 0 | 0 | 0 | 108.8 | M188 D191 V196 Q217 D255 Y256 | M188-I194 HydrophobicContact CG-CD1 4.36Å; D191-I194 HydrophobicContact CB-CB 4.3Å; D191-I194 HydrophobicContact CB-CD1 3.96Å; D191-I194 HydrophobicContact CB-CG1 4.04Å; I194-V196 HydrophobicContact CG2-CG2 3.93Å; I194-Q217 PolarHBondContact O-NE2 2.92Å; I194-D255 HydrophobicContact CG2-CB 4.46Å; I194-Y256 HydrophobicContact CG2-CD2 3.64Å; I194-Y256 HydrophobicContact CG2-CE2 3.82Å |
| 195 | S | 91.2 | Very high | 91.8 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | trans | -99.5 | 124.9 | 173.1 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | V254 D255 Y256 | S195-V254 VanDerWaalsContact OG-CA 3.29Å; S195-V254 WeakPolarHBondContact OG-CA 3.25Å; S195-D255 WeakPolarHBondContact CB-OD2 3.17Å; S195-D255 PolarHBondContact N-OD2 2.92Å; S195-D255 PolarHBondContact O-N 3.32Å; S195-D255 VanDerWaalsContact O-N 3.12Å; S195-D255 PolarHBondContact OG-N 3.16Å; S195-D255 PolarHBondContact OG-OD2 2.72Å; S195-Y256 PolarHBondContact O-N 2.97Å; S195-Y256 VanDerWaalsContact O-N 3.14Å | ||
| 196 | V | 94.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.9 | -174.7 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | L185 M188 M189 I194 V198 Q217 Y256 V258 | L185-V196 HydrophobicContact CD1-CG1 4.03Å; M188-V196 HydrophobicContact CB-CG2 4.26Å; M189-V196 HydrophobicContact CG-CB 4.24Å; M189-V196 HydrophobicContact CG-CG1 4.16Å; M189-V196 HydrophobicContact CG-CG2 4.43Å; I194-V196 HydrophobicContact CG2-CG2 3.93Å; V196-V198 HydrophobicContact CG1-CG2 4.3Å; V196-Q217 HydrophobicContact CB-CG 4.49Å; V196-Q217 PolarHBondContact O-OE1 3.41Å; V196-Y256 WeakPolarHBondContact CA-O 3.44Å; V196-V258 HydrophobicContact CG1-CG2 4.23Å |
| 197 | L | 94.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 113.9 | 169.7 | -179.9 | 60.5 | 0 | 0 | 0 | 109.9 | M199 T218 I220 H247 R251 V254 Y256 V257 V258 | L197-M199 HydrophobicContact CD2-CE 3.69Å; L197-M199 HydrophobicContact CG-CE 4.35Å; L197-M199 HydrophobicContact CG-CG 4.46Å; L197-T218 HydrophobicContact CD1-CG2 3.73Å; L197-I220 HydrophobicContact CD1-CD1 4.14Å; L197-I220 HydrophobicContact CD1-CG1 4.08Å; L197-I220 HydrophobicContact CD1-CG2 4.2Å; L197-I220 HydrophobicContact CD2-CD1 4.47Å; L197-H247 HydrophobicContact CD1-CB 4.35Å; L197-R251 HydrophobicContact CD2-CB 4.06Å; L197-V254 HydrophobicContact CB-CG1 4.3Å; L197-V254 HydrophobicContact CB-CG2 3.94Å; L197-Y256 PolarHBondContact N-O 3.08Å; L197-V257 WeakPolarHBondContact O-CA 3.23Å; L197-V258 PolarHBondContact O-N 2.84Å |
| 198 | V | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.9 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | L185 M189 V196 I212 T218 C219 I220 V258 L260 | L185-V198 HydrophobicContact CD1-CG2 4.26Å; M189-V198 HydrophobicContact CE-CG2 3.85Å; M189-V198 HydrophobicContact SD-CG2 4.02Å; V196-V198 HydrophobicContact CG1-CG2 4.3Å; V198-I212 HydrophobicContact CG1-CD1 4.35Å; V198-T218 PolarHBondContact N-O 3.41Å; V198-C219 HydrophobicContact CB-CB 4.25Å; V198-C219 CarbonylContact O-C 3.53Å; V198-C219 WeakPolarHBondContact O-CA 3.48Å; V198-I220 PolarHBondContact O-N 3.3Å; V198-V258 CarbonylContact C-O 3.58Å; V198-V258 WeakPolarHBondContact CA-O 3.24Å; V198-L260 HydrophobicContact CG1-CD2 3.58Å; V198-L260 HydrophobicContact CG1-CG 4.34Å |
| 199 | M | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 112 | 173.2 | -60.2 | -176.4 | 177.7 | 0 | 0 | 109.1 | L197 I220 V222 W248 R251 V257 V258 L259 L260 I282 | L197-M199 HydrophobicContact CD2-CE 3.69Å; L197-M199 HydrophobicContact CG-CE 4.35Å; L197-M199 HydrophobicContact CG-CG 4.46Å; M199-I220 HydrophobicContact CG-CD1 4.16Å; M199-I220 HydrophobicContact CG-CG1 4.14Å; M199-V222 HydrophobicContact CB-CG2 3.92Å; M199-V222 HydrophobicContact CG-CG2 4.15Å; M199-V222 HydrophobicContact SD-CG2 4.42Å; M199-W248 HydrophobicContact CE-CE3 3.72Å; M199-W248 HydrophobicContact CE-CZ3 3.87Å; M199-W248 HydrophobicContact SD-CE3 4.03Å; M199-W248 HydrophobicContact SD-CZ3 3.67Å; M199-R251 HydrophobicContact CE-CB 3.95Å; M199-V257 HydrophobicContact CE-CG1 3.76Å; M199-V257 HydrophobicContact CG-CG1 4.21Å; M199-V257 HydrophobicContact SD-CG1 3.84Å; M199-V258 PolarHBondContact N-O 3.35Å; M199-L259 HydrophobicContact CB-CD2 3.79Å; M199-L259 HydrophobicContact CG-CD2 4.15Å; M199-L259 WeakPolarHBondContact O-CA 3.22Å; M199-L259 HydrophobicContact SD-CD2 3.79Å; M199-L260 PolarHBondContact O-N 3.14Å; M199-L260 VanDerWaalsContact O-N 3.11Å; M199-I282 HydrophobicContact CE-CD1 4.44Å; M199-I282 HydrophobicContact SD-CD1 4.06Å |
| 200 | D | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 112.3 | 179.5 | -165.2 | -35.7 | 0 | 0 | 0 | 109.6 | R202 Y207 I220 V222 L260 | D200-R202 WeakPolarHBondContact OD1-CB 3.41Å; D200-R202 WeakPolarHBondContact OD1-CG 3.2Å; D200-R202 IonicContact OD1-CZ 3.68Å; D200-R202 PolarHBondContact OD1-N 3.49Å; D200-R202 IonicContact OD1-NE 3.49Å; D200-R202 PolarHBondContact OD1-NE 2.93Å; D200-R202 IonicContact OD1-NH2 3.48Å; D200-R202 IonicContact OD2-CZ 3.74Å; D200-R202 IonicContact OD2-NE 2.69Å; D200-R202 PolarHBondContact OD2-NE 3.49Å; D200-R202 IonicContact OD2-NH2 3.45Å; D200-R202 PolarHBondContact OD2-NH2 3.14Å; D200-Y207 HydrophobicContact CB-CD2 3.61Å; D200-Y207 HydrophobicContact CB-CE2 3.88Å; D200-I220 WeakPolarHBondContact CB-O 3.33Å; D200-I220 PolarHBondContact N-O 2.78Å; D200-V222 PolarHBondContact O-N 2.92Å; D200-L260 HydrophobicContact CB-CD1 4.09Å; D200-L260 HydrophobicContact CB-CG 4.45Å; D200-L260 VanDerWaalsContact CG-CD1 3.4Å; D200-L260 WeakPolarHBondContact OD1-CD1 3.17Å |
| 201 | A | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | trans | -102.6 | 23.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V222 L260 L275 L278 | A201-V222 WeakPolarHBondContact CA-O 3.36Å; A201-L260 WeakPolarHBondContact CB-O 3.23Å; A201-L260 PolarHBondContact N-O 3.19Å; A201-L275 HydrophobicContact CB-CD2 3.74Å; A201-L278 HydrophobicContact CB-CD2 4.09Å | ||
| 202 | R | 94.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -76.4 | 176.9 | 167.3 | -60.8 | 177.8 | -67 | 134.3 | 3.9 | 110.5 | D200 D206 S210 P223 E224 W262 Y302 | D200-R202 WeakPolarHBondContact OD1-CB 3.41Å; D200-R202 WeakPolarHBondContact OD1-CG 3.2Å; D200-R202 IonicContact OD1-CZ 3.68Å; D200-R202 PolarHBondContact OD1-N 3.49Å; D200-R202 IonicContact OD1-NE 3.49Å; D200-R202 PolarHBondContact OD1-NE 2.93Å; D200-R202 IonicContact OD1-NH2 3.48Å; D200-R202 IonicContact OD2-CZ 3.74Å; D200-R202 IonicContact OD2-NE 2.69Å; D200-R202 PolarHBondContact OD2-NE 3.49Å; D200-R202 IonicContact OD2-NH2 3.45Å; D200-R202 PolarHBondContact OD2-NH2 3.14Å; R202-D206 HydrophobicContact CB-CB 3.96Å; R202-D206 PolarHBondContact NH1-O 2.93Å; R202-S210 PolarHBondContact NH1-O 3.18Å; R202-S210 PolarHBondContact NH2-O 2.59Å; R202-P223 WeakPolarHBondContact O-CA 3.24Å; R202-E224 PolarHBondContact O-N 3.46Å; R202-W262 HydrophobicContact CG-CG 4.04Å; R202-Y302 VanDerWaalsContact NH1-CD1 3.29Å |
| 203 | S | 93.6 | Very high | 93.3 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 12% | 0.119 | 21% | 0.207 | C | C | . | . | trans | -57.3 | 150 | 171.8 | 74.7 | 0 | 0 | 0 | 0 | 111.1 | R205 D206 Y207 | S203-R205 PolarHBondContact O-N 2.7Å; S203-R205 VanDerWaalsContact O-N 3.16Å; S203-D206 PolarHBondContact O-N 3.35Å; S203-D206 WeakPolarHBondContact OG-CB 3.49Å; S203-D206 PolarHBondContact OG-N 3.42Å; S203-D206 PolarHBondContact OG-OD2 3.48Å; S203-Y207 PolarHBondContact O-N 3.45Å | ||
| 204 | H | 92 | Very high | 93.4 | Very high | 64 Ų | 64 | 37.3 Ų | 37.3 | 30% | 0.296 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.6 | -35.9 | -178.3 | -170.7 | 40.9 | 0 | 0 | 0 | 111.9 | Y207 E208 S221 P223 P241 | H204-Y207 WeakPolarHBondContact O-CB 3.12Å; H204-Y207 PolarHBondContact O-N 2.95Å; H204-E208 PolarHBondContact O-N 2.93Å; H204-E208 VanDerWaalsContact O-N 3.14Å; H204-S221 PolarHBondContact ND1-OG 3.33Å; H204-S221 VanDerWaalsContact ND1-OG 3.12Å; H204-P223 HydrophobicContact CB-CB 3.93Å; H204-P223 HydrophobicContact CB-CG 3.78Å; H204-P241 WeakPolarHBondContact CE1-CG 3.42Å |
| 205 | R | 90.9 | Very high | 92.8 | Very high | 165 Ų | 165 | 41.6 Ų | 41.6 | 62% | 0.623 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.8 | -43.5 | 176 | 178.9 | -179 | 166.5 | -170.9 | -8.6 | 112.9 | S203 Y207 E208 E209 | S203-R205 PolarHBondContact O-N 2.7Å; S203-R205 VanDerWaalsContact O-N 3.16Å; R205-Y207 PolarHBondContact O-N 3.45Å; R205-E208 PolarHBondContact O-N 3.15Å; R205-E209 HydrophobicContact CG-CG 4.44Å; R205-E209 IonicContact CZ-OE1 2.75Å; R205-E209 IonicContact NE-OE1 2.68Å; R205-E209 PolarHBondContact NE-OE1 2.84Å; R205-E209 IonicContact NH2-OE1 2.7Å; R205-E209 PolarHBondContact NH2-OE1 2.98Å; R205-E209 PolarHBondContact O-N 2.88Å |
| 206 | D | 92.6 | Very high | 91.9 | Very high | 34 Ų | 34 | 43 Ų | 43 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -30.3 | 179.7 | -69.9 | -41.2 | 0 | 0 | 0 | 112 | R202 S203 S210 W262 | R202-D206 HydrophobicContact CB-CB 3.96Å; R202-D206 PolarHBondContact NH1-O 2.93Å; S203-D206 PolarHBondContact O-N 3.35Å; S203-D206 WeakPolarHBondContact OG-CB 3.49Å; S203-D206 PolarHBondContact OG-N 3.42Å; S203-D206 PolarHBondContact OG-OD2 3.48Å; D206-S210 PolarHBondContact O-N 2.92Å; D206-S210 VanDerWaalsContact O-N 3.13Å; D206-W262 HydrophobicContact CB-CZ2 3.87Å; D206-W262 VanDerWaalsContact CG-NE1 3.25Å; D206-W262 PolarHBondContact OD2-NE1 3.32Å |
| 207 | Y | 93.9 | Very high | 91.5 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.3 | -43.4 | 173.1 | -178.2 | -85.8 | 0 | 0 | 0 | 112.2 | D200 S203 H204 R205 S210 H211 C219 | D200-Y207 HydrophobicContact CB-CD2 3.61Å; D200-Y207 HydrophobicContact CB-CE2 3.88Å; S203-Y207 PolarHBondContact O-N 3.45Å; H204-Y207 WeakPolarHBondContact O-CB 3.12Å; H204-Y207 PolarHBondContact O-N 2.95Å; R205-Y207 PolarHBondContact O-N 3.45Å; Y207-S210 CarbonylContact O-C 3.54Å; Y207-H211 HydrophobicContact CD1-CB 4.43Å; Y207-H211 AromaticContact CD1-ND1 3.77Å; Y207-H211 HydrophobicContact CD2-CB 3.52Å; Y207-H211 HydrophobicContact CE1-CB 4.35Å; Y207-H211 AromaticContact CE1-CE1 3.76Å; Y207-H211 AromaticContact CE1-CG 3.83Å; Y207-H211 AromaticContact CE1-ND1 3.52Å; Y207-H211 HydrophobicContact CE2-CB 3.45Å; Y207-H211 VanDerWaalsContact CE2-CB 3.45Å; Y207-H211 AromaticContact CE2-CG 3.7Å; Y207-H211 HydrophobicContact CG-CB 4.04Å; Y207-H211 AromaticContact CZ-CD2 3.75Å; Y207-H211 AromaticContact CZ-CG 3.55Å; Y207-H211 AromaticContact CZ-ND1 3.76Å; Y207-H211 PolarHBondContact O-ND1 3.37Å; Y207-C219 PolarHBondContact OH-O 3.38Å |
| 208 | E | 92.8 | Very high | 91.1 | Very high | 139 Ų | 139 | 46.1 Ų | 46.1 | 65% | 0.65 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -64.9 | -39.3 | 174 | -69.1 | -170.4 | 128.5 | 0 | 0 | 112 | H204 R205 | H204-E208 PolarHBondContact O-N 2.93Å; H204-E208 VanDerWaalsContact O-N 3.14Å; R205-E208 PolarHBondContact O-N 3.15Å |
| 209 | E | 92.3 | Very high | 91 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 36% | 0.36 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.5 | -35.7 | 177.7 | -75.9 | -166.6 | -154.7 | 0 | 0 | 113 | R205 N315 V318 | R205-E209 HydrophobicContact CG-CG 4.44Å; R205-E209 IonicContact CZ-OE1 2.75Å; R205-E209 IonicContact NE-OE1 2.68Å; R205-E209 PolarHBondContact NE-OE1 2.84Å; R205-E209 IonicContact NH2-OE1 2.7Å; R205-E209 PolarHBondContact NH2-OE1 2.98Å; R205-E209 PolarHBondContact O-N 2.88Å; E209-N315 VanDerWaalsContact O-CB 3.25Å; E209-N315 WeakPolarHBondContact O-CB 3.43Å; E209-N315 PolarHBondContact O-ND2 3.16Å; E209-V318 HydrophobicContact CB-CG2 4.28Å |
| 210 | S | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -169 | 140.2 | 163.4 | -167.2 | 0 | 0 | 0 | 0 | 112.3 | R202 D206 Y207 Y302 T314 N315 | R202-S210 PolarHBondContact NH1-O 3.18Å; R202-S210 PolarHBondContact NH2-O 2.59Å; D206-S210 PolarHBondContact O-N 2.92Å; D206-S210 VanDerWaalsContact O-N 3.13Å; Y207-S210 CarbonylContact O-C 3.54Å; S210-Y302 VanDerWaalsContact C-OH 3.31Å; S210-Y302 WeakPolarHBondContact CB-OH 3.42Å; S210-Y302 WeakPolarHBondContact O-CE1 3.27Å; S210-Y302 PolarHBondContact O-OH 2.77Å; S210-Y302 PolarHBondContact OG-OH 3.18Å; S210-T314 WeakPolarHBondContact CA-OG1 3.39Å; S210-N315 WeakPolarHBondContact CB-O 3.23Å; S210-N315 WeakPolarHBondContact OG-CA 3.33Å; S210-N315 PolarHBondContact OG-N 3.34Å; S210-N315 PolarHBondContact OG-O 2.85Å; S210-N315 VanDerWaalsContact OG-O 3.12Å | ||
| 211 | H | 94.3 | Very high | 90.8 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 19% | 0.185 | 24% | 0.238 | C | C | . | . | trans | -137.9 | -180 | 172.6 | 55.3 | -92.5 | 0 | 0 | 0 | 112.2 | Y207 Y302 T313 T314 | Y207-H211 HydrophobicContact CD1-CB 4.43Å; Y207-H211 AromaticContact CD1-ND1 3.77Å; Y207-H211 HydrophobicContact CD2-CB 3.52Å; Y207-H211 HydrophobicContact CE1-CB 4.35Å; Y207-H211 AromaticContact CE1-CE1 3.76Å; Y207-H211 AromaticContact CE1-CG 3.83Å; Y207-H211 AromaticContact CE1-ND1 3.52Å; Y207-H211 HydrophobicContact CE2-CB 3.45Å; Y207-H211 VanDerWaalsContact CE2-CB 3.45Å; Y207-H211 AromaticContact CE2-CG 3.7Å; Y207-H211 HydrophobicContact CG-CB 4.04Å; Y207-H211 AromaticContact CZ-CD2 3.75Å; Y207-H211 AromaticContact CZ-CG 3.55Å; Y207-H211 AromaticContact CZ-ND1 3.76Å; Y207-H211 PolarHBondContact O-ND1 3.37Å; H211-Y302 VanDerWaalsContact CA-OH 3.3Å; H211-Y302 WeakPolarHBondContact CA-OH 3.36Å; H211-Y302 PolarHBondContact N-OH 3.02Å; H211-Y302 PolarHBondContact O-OH 2.73Å; H211-T313 WeakPolarHBondContact O-CA 3.35Å; H211-T313 WeakPolarHBondContact O-CB 3.34Å; H211-T314 PolarHBondContact N-OG1 2.93Å; H211-T314 PolarHBondContact O-N 2.82Å; H211-T314 VanDerWaalsContact O-N 3.16Å | ||
| 212 | I | 95.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -75.2 | 130.4 | 178 | -61.4 | -172.7 | 0 | 0 | 0 | 110.1 | L185 M189 V198 V214 C219 L260 L298 Y302 W305 | L185-I212 HydrophobicContact CD2-CD1 4.48Å; M189-I212 HydrophobicContact CE-CG2 4.02Å; M189-I212 HydrophobicContact SD-CG2 4.45Å; V198-I212 HydrophobicContact CG1-CD1 4.35Å; I212-V214 HydrophobicContact CG2-CG2 4.24Å; I212-C219 HydrophobicContact CB-CB 4.36Å; I212-C219 WeakPolarHBondContact O-CB 3.26Å; I212-L260 HydrophobicContact CD1-CD2 3.53Å; I212-L260 HydrophobicContact CG1-CD2 4.32Å; I212-L298 HydrophobicContact CD1-CD2 4.35Å; I212-Y302 HydrophobicContact CG1-CD2 3.96Å; I212-Y302 HydrophobicContact CG1-CE2 3.66Å; I212-W305 HydrophobicContact CD1-CB 4.31Å; I212-W305 HydrophobicContact CD1-CD2 3.54Å; I212-W305 HydrophobicContact CD1-CE3 3.93Å; I212-W305 HydrophobicContact CD1-CG 3.7Å; I212-W305 HydrophobicContact CD1-CZ2 4.39Å; I212-W305 HydrophobicContact CD1-CZ3 4.49Å; I212-W305 HydrophobicContact CG1-CD2 4.04Å; I212-W305 HydrophobicContact CG1-CG 3.9Å; I212-W305 HydrophobicContact CG2-CD2 4.48Å; I212-W305 HydrophobicContact CG2-CH2 4.28Å; I212-W305 HydrophobicContact CG2-CZ2 3.56Å |
| 213 | Q | 91.9 | Very high | 90.7 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 54% | 0.537 | 24% | 0.239 | S | C | . | . | trans | -130 | 111.8 | 177.2 | -164.3 | 176.9 | 33 | 0 | 0 | 111.7 | Y312 T314 | Q213-Y312 PolarHBondContact N-O 2.62Å; Q213-Y312 CarbonylContact O-C 3.52Å; Q213-Y312 WeakPolarHBondContact O-CA 3.43Å; Q213-T314 HydrophobicContact CB-CG2 4.18Å | ||
| 214 | V | 88.5 | Confident | 90.5 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | -130.5 | 127.1 | 173.7 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | M189 I212 T216 Q217 W305 Y312 | M189-V214 HydrophobicContact CB-CG1 4.27Å; M189-V214 HydrophobicContact CB-CG2 4.42Å; M189-V214 HydrophobicContact CE-CB 4.05Å; M189-V214 HydrophobicContact CE-CG2 3.8Å; M189-V214 HydrophobicContact SD-CG2 4.22Å; I212-V214 HydrophobicContact CG2-CG2 4.24Å; V214-T216 PolarHBondContact O-N 3.17Å; V214-Q217 PolarHBondContact O-N 2.87Å; V214-W305 HydrophobicContact CG2-CZ2 4.27Å; V214-Y312 HydrophobicContact CG2-CD1 4.43Å | ||
| 215 | P | 76.9 | Confident | 90.5 | Very high | 132 Ų | 132 | 53.4 Ų | 53.4 | 86% | 0.857 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.1 | -168.9 | -28 | 35.8 | 0 | 0 | 0 | 117.3 | ||
| 216 | T | 73.3 | Confident | 90.3 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -8.8 | -172.9 | 38.2 | 0 | 0 | 0 | 0 | 114.6 | M189 Q192 V214 | M189-T216 PolarHBondContact O-OG1 3.37Å; Q192-T216 HydrophobicContact CG-CG2 4.38Å; V214-T216 PolarHBondContact O-N 3.17Å |
| 217 | Q | 84.6 | Confident | 90.2 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 16% | 0.159 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -140.3 | 164.3 | -168.3 | -57.3 | -68.2 | -10.6 | 0 | 0 | 112.2 | M189 D191 I194 V196 V214 | M189-Q217 HydrophobicContact CB-CB 4.44Å; M189-Q217 HydrophobicContact CB-CG 3.83Å; M189-Q217 HydrophobicContact CE-CB 3.79Å; M189-Q217 HydrophobicContact CE-CG 4.48Å; M189-Q217 HydrophobicContact CG-CB 4.35Å; M189-Q217 HydrophobicContact CG-CG 4.07Å; M189-Q217 WeakPolarHBondContact O-CG 3.29Å; D191-Q217 PolarHBondContact O-NE2 3.25Å; I194-Q217 PolarHBondContact O-NE2 2.92Å; V196-Q217 HydrophobicContact CB-CG 4.49Å; V196-Q217 PolarHBondContact O-OE1 3.41Å; V214-Q217 PolarHBondContact O-N 2.87Å |
| 218 | T | 86.4 | Confident | 89.9 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.7 | -177.8 | -51.2 | 0 | 0 | 0 | 0 | 112 | L197 V198 I220 H247 | L197-T218 HydrophobicContact CD1-CG2 3.73Å; V198-T218 PolarHBondContact N-O 3.41Å; T218-I220 HydrophobicContact CG2-CG2 3.62Å; T218-H247 HydrophobicContact CG2-CB 3.92Å; T218-H247 WeakPolarHBondContact CG2-ND1 3.4Å; T218-H247 PolarHBondContact OG1-CE1 3.01Å; T218-H247 PolarHBondContact OG1-ND1 3.12Å; T218-H247 VanDerWaalsContact OG1-ND1 3.08Å |
| 219 | C | 93.4 | Very high | 89.6 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 14% | 0.142 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.8 | 154.5 | -168.1 | 0 | 0 | 0 | 0 | 109 | V198 Y207 I212 | V198-C219 HydrophobicContact CB-CB 4.25Å; V198-C219 CarbonylContact O-C 3.53Å; V198-C219 WeakPolarHBondContact O-CA 3.48Å; Y207-C219 PolarHBondContact OH-O 3.38Å; I212-C219 HydrophobicContact CB-CB 4.36Å; I212-C219 WeakPolarHBondContact O-CB 3.26Å |
| 220 | I | 95.1 | Very high | 89 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 153.7 | 175.7 | 60.3 | 170.6 | 0 | 0 | 0 | 111.9 | L197 V198 M199 D200 T218 V222 H247 W248 | L197-I220 HydrophobicContact CD1-CD1 4.14Å; L197-I220 HydrophobicContact CD1-CG1 4.08Å; L197-I220 HydrophobicContact CD1-CG2 4.2Å; L197-I220 HydrophobicContact CD2-CD1 4.47Å; V198-I220 PolarHBondContact O-N 3.3Å; M199-I220 HydrophobicContact CG-CD1 4.16Å; M199-I220 HydrophobicContact CG-CG1 4.14Å; D200-I220 WeakPolarHBondContact CB-O 3.33Å; D200-I220 PolarHBondContact N-O 2.78Å; T218-I220 HydrophobicContact CG2-CG2 3.62Å; I220-V222 HydrophobicContact CD1-CG2 4.03Å; I220-V222 HydrophobicContact CG1-CG2 4.16Å; I220-H247 HydrophobicContact CG2-CB 3.64Å; I220-W248 HydrophobicContact CD1-CB 4.2Å; I220-W248 HydrophobicContact CD1-CE3 4.33Å |
| 221 | S | 95.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 124.8 | 172.3 | -169 | 0 | 0 | 0 | 0 | 109.7 | H204 S244 | H204-S221 PolarHBondContact ND1-OG 3.33Å; H204-S221 VanDerWaalsContact ND1-OG 3.12Å; S221-S244 PolarHBondContact N-OG 3.23Å; S221-S244 PolarHBondContact O-OG 2.98Å |
| 222 | V | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -123.1 | 74.4 | 171 | -179.3 | 0 | 0 | 0 | 0 | 106.8 | M199 D200 A201 I220 V227 I236 L240 W248 L278 | M199-V222 HydrophobicContact CB-CG2 3.92Å; M199-V222 HydrophobicContact CG-CG2 4.15Å; M199-V222 HydrophobicContact SD-CG2 4.42Å; D200-V222 PolarHBondContact O-N 2.92Å; A201-V222 WeakPolarHBondContact CA-O 3.36Å; I220-V222 HydrophobicContact CD1-CG2 4.03Å; I220-V222 HydrophobicContact CG1-CG2 4.16Å; V222-V227 HydrophobicContact CG1-CG2 4.1Å; V222-I236 HydrophobicContact CG1-CG2 4.07Å; V222-L240 HydrophobicContact CB-CD2 4.22Å; V222-L240 HydrophobicContact CG1-CD2 4.08Å; V222-L240 HydrophobicContact CG2-CD2 4.15Å; V222-W248 HydrophobicContact CG1-CZ3 4.07Å; V222-W248 HydrophobicContact CG2-CE3 4.06Å; V222-W248 HydrophobicContact CG2-CZ3 3.93Å; V222-L278 HydrophobicContact CB-CD2 4.37Å; V222-L278 HydrophobicContact CG1-CD1 3.76Å; V222-L278 HydrophobicContact CG1-CD2 3.84Å; V222-L278 HydrophobicContact CG1-CG 4.47Å | ||
| 223 | P | 90.8 | Very high | 88 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | trans | -57 | 144.3 | -160.8 | -23.9 | 32.8 | 0 | 0 | 0 | 113.1 | R202 H204 E225 A226 P241 | R202-P223 WeakPolarHBondContact O-CA 3.24Å; H204-P223 HydrophobicContact CB-CB 3.93Å; H204-P223 HydrophobicContact CB-CG 3.78Å; P223-E225 WeakPolarHBondContact CB-OE2 3.35Å; P223-E225 PolarHBondContact O-N 3.34Å; P223-E225 VanDerWaalsContact O-N 3.14Å; P223-A226 WeakPolarHBondContact O-CA 3.32Å; P223-A226 VanDerWaalsContact O-CB 3.24Å; P223-A226 WeakPolarHBondContact O-CB 3.37Å; P223-A226 PolarHBondContact O-N 3.24Å; P223-P241 HydrophobicContact CG-CG 4.32Å | ||
| 224 | E | 90.9 | Very high | 87.8 | Confident | 91 Ų | 91 | 44.1 Ų | 44.1 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -58.2 | -30.4 | 178.9 | 67.4 | -179 | 162.5 | 0 | 0 | 112.5 | R202 A226 V227 T274 | R202-E224 PolarHBondContact O-N 3.46Å; E224-A226 PolarHBondContact O-N 2.97Å; E224-V227 PolarHBondContact O-N 3.19Å; E224-T274 HydrophobicContact CB-CG2 3.79Å |
| 225 | E | 90.7 | Very high | 87.7 | Confident | 113 Ų | 113 | 48.4 Ų | 48.4 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -66.4 | -20.2 | 174.9 | -47.9 | 94 | 140.2 | 0 | 0 | 113 | P223 | P223-E225 WeakPolarHBondContact CB-OE2 3.35Å; P223-E225 PolarHBondContact O-N 3.34Å; P223-E225 VanDerWaalsContact O-N 3.14Å |
| 226 | A | 88.1 | Confident | 88.4 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -83.8 | -20.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P223 E224 I231 K239 | P223-A226 WeakPolarHBondContact O-CA 3.32Å; P223-A226 VanDerWaalsContact O-CB 3.24Å; P223-A226 WeakPolarHBondContact O-CB 3.37Å; P223-A226 PolarHBondContact O-N 3.24Å; E224-A226 PolarHBondContact O-N 2.97Å; A226-I231 WeakPolarHBondContact O-CD1 3.1Å; A226-K239 HydrophobicContact CB-CB 3.76Å; A226-K239 HydrophobicContact CB-CD 4.14Å |
| 227 | V | 90.6 | Very high | 89.3 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | trans | -106.2 | 136.7 | -172.2 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | V222 E224 T274 L278 | V222-V227 HydrophobicContact CG1-CG2 4.1Å; E224-V227 PolarHBondContact O-N 3.19Å; V227-T274 HydrophobicContact CB-CG2 3.97Å; V227-T274 HydrophobicContact CG1-CG2 4.03Å; V227-L278 HydrophobicContact CG1-CB 4.19Å; V227-L278 HydrophobicContact CG2-CB 4.46Å; V227-L278 HydrophobicContact CG2-CD1 4.41Å | ||
| 228 | S | 87.2 | Confident | 89.5 | Confident | 53 Ų | 53 | 42.2 Ų | 42.2 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | trans | -149.4 | 154.2 | 172.4 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | G230 I231 | S228-G230 PolarHBondContact O-N 2.96Å; S228-I231 VanDerWaalsContact O-CB 3.28Å; S228-I231 WeakPolarHBondContact O-CB 3.31Å; S228-I231 WeakPolarHBondContact O-CG2 3.39Å; S228-I231 PolarHBondContact O-N 3.47Å | ||
| 229 | P | 86.1 | Confident | 89.6 | Confident | 93 Ų | 93 | 45.9 Ų | 45.9 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 127 | 178.7 | -26.5 | 35.7 | 0 | 0 | 0 | 111.9 | ||
| 230 | G | 79.4 | Confident | 89.6 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 56% | 0.557 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 7.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | S228 | S228-G230 PolarHBondContact O-N 2.96Š|
| 231 | I | 86.1 | Confident | 89.4 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | trans | -69.8 | 147.8 | 175.6 | -159.2 | 171.1 | 0 | 0 | 0 | 111.9 | A226 S228 L235 I236 | A226-I231 WeakPolarHBondContact O-CD1 3.1Å; S228-I231 VanDerWaalsContact O-CB 3.28Å; S228-I231 WeakPolarHBondContact O-CB 3.31Å; S228-I231 WeakPolarHBondContact O-CG2 3.39Å; S228-I231 PolarHBondContact O-N 3.47Å; I231-L235 HydrophobicContact CD1-CB 3.97Å; I231-L235 HydrophobicContact CG1-CB 3.67Å; I231-L235 HydrophobicContact CG1-CD1 4.34Å; I231-I236 HydrophobicContact CD1-CG1 4.05Å; I231-I236 HydrophobicContact CG1-CG1 4.27Å; I231-I236 HydrophobicContact CG2-CD1 3.8Å; I231-I236 HydrophobicContact CG2-CG1 3.66Å | ||
| 232 | T | 88 | Confident | 89.1 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | trans | -94.1 | 153.6 | 174.1 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | N234 L235 I236 | T232-N234 VanDerWaalsContact C-N 3.26Å; T232-N234 PolarHBondContact O-N 3.2Å; T232-L235 WeakPolarHBondContact O-CA 3.35Å; T232-L235 WeakPolarHBondContact O-CB 3.5Å; T232-L235 PolarHBondContact O-N 2.84Å; T232-L235 WeakPolarHBondContact OG1-CG 3.46Å; T232-I236 PolarHBondContact O-N 3.01Å | ||
| 233 | V | 89.8 | Confident | 88.7 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -52.5 | -40.2 | 179.2 | 169.2 | 0 | 0 | 0 | 0 | 113.4 | L235 I236 E237 W248 A281 I282 D286 | V233-L235 VanDerWaalsContact C-N 3.29Å; V233-L235 PolarHBondContact O-N 3.19Å; V233-I236 PolarHBondContact O-N 2.98Å; V233-E237 WeakPolarHBondContact O-CB 3.37Å; V233-E237 PolarHBondContact O-N 2.74Å; V233-W248 HydrophobicContact CG1-CZ2 3.87Å; V233-A281 HydrophobicContact CG2-CB 4.34Å; V233-A281 WeakPolarHBondContact CG2-O 3.34Å; V233-I282 HydrophobicContact CG2-CG2 4.18Å; V233-D286 HydrophobicContact CG2-CB 3.94Å |
| 234 | N | 86.8 | Confident | 88.8 | Confident | 103 Ų | 103 | 56.3 Ų | 56.3 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.1 | -31.4 | 178.6 | -64.3 | -9.4 | 0 | 0 | 0 | 112.4 | T232 A238 | T232-N234 VanDerWaalsContact C-N 3.26Å; T232-N234 PolarHBondContact O-N 3.2Å; N234-A238 WeakPolarHBondContact O-CB 3.5Å; N234-A238 PolarHBondContact O-N 2.86Å; N234-A238 VanDerWaalsContact O-N 3.1Å |
| 235 | L | 87.8 | Confident | 88.7 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -79.7 | -29.1 | 176.2 | -69.4 | 172.7 | 0 | 0 | 0 | 112.5 | I231 T232 V233 K239 | I231-L235 HydrophobicContact CD1-CB 3.97Å; I231-L235 HydrophobicContact CG1-CB 3.67Å; I231-L235 HydrophobicContact CG1-CD1 4.34Å; T232-L235 WeakPolarHBondContact O-CA 3.35Å; T232-L235 WeakPolarHBondContact O-CB 3.5Å; T232-L235 PolarHBondContact O-N 2.84Å; T232-L235 WeakPolarHBondContact OG1-CG 3.46Å; V233-L235 VanDerWaalsContact C-N 3.29Å; V233-L235 PolarHBondContact O-N 3.19Å; L235-K239 WeakPolarHBondContact O-CG 3.32Å |
| 236 | I | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.5 | -53.2 | 166.4 | -59.6 | 170.9 | 0 | 0 | 0 | 108.9 | V222 I231 T232 V233 A238 K239 L240 W248 L278 A281 | V222-I236 HydrophobicContact CG1-CG2 4.07Å; I231-I236 HydrophobicContact CD1-CG1 4.05Å; I231-I236 HydrophobicContact CG1-CG1 4.27Å; I231-I236 HydrophobicContact CG2-CD1 3.8Å; I231-I236 HydrophobicContact CG2-CG1 3.66Å; T232-I236 PolarHBondContact O-N 3.01Å; V233-I236 PolarHBondContact O-N 2.98Å; I236-A238 VanDerWaalsContact C-N 3.3Å; I236-A238 PolarHBondContact O-N 3.43Å; I236-K239 CarbonylContact O-C 3.44Å; I236-K239 WeakPolarHBondContact O-CA 3.39Å; I236-K239 WeakPolarHBondContact O-CB 3.25Å; I236-K239 PolarHBondContact O-N 2.89Å; I236-L240 HydrophobicContact CG2-CD2 4.01Å; I236-L240 HydrophobicContact CG2-CG 4.29Å; I236-L240 PolarHBondContact O-N 2.67Å; I236-L240 VanDerWaalsContact O-N 3.11Å; I236-W248 HydrophobicContact CB-CH2 4.21Å; I236-W248 HydrophobicContact CB-CZ2 3.99Å; I236-W248 HydrophobicContact CD1-CH2 4.12Å; I236-W248 HydrophobicContact CD1-CZ2 4.42Å; I236-W248 HydrophobicContact CG2-CH2 3.66Å; I236-W248 HydrophobicContact CG2-CZ2 3.79Å; I236-W248 HydrophobicContact CG2-CZ3 4.35Å; I236-L278 HydrophobicContact CD1-CD1 4Å; I236-A281 HydrophobicContact CD1-CB 3.81Å |
| 237 | E | 91.3 | Very high | 88.7 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.6 | -39.2 | -175.2 | -166.5 | 176.5 | 134 | 0 | 0 | 113 | V233 K239 L240 K245 W248 R249 R251 | V233-E237 WeakPolarHBondContact O-CB 3.37Å; V233-E237 PolarHBondContact O-N 2.74Å; E237-K239 PolarHBondContact O-N 2.93Å; E237-L240 PolarHBondContact O-N 3.17Å; E237-K245 WeakPolarHBondContact O-CE 3.43Å; E237-W248 PolarHBondContact OE2-NE1 3.02Å; E237-W248 VanDerWaalsContact OE2-NE1 3.15Å; E237-R249 IonicContact OE1-CZ 3.47Å; E237-R249 IonicContact OE1-NE 2.79Å; E237-R249 PolarHBondContact OE1-NE 2.89Å; E237-R249 IonicContact OE1-NH2 3.23Å; E237-R249 PolarHBondContact OE1-NH2 2.79Å; E237-R251 IonicContact OE2-NH1 3.88Å |
| 238 | A | 89.3 | Confident | 88.8 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 65% | 0.653 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | N234 I236 | N234-A238 WeakPolarHBondContact O-CB 3.5Å; N234-A238 PolarHBondContact O-N 2.86Å; N234-A238 VanDerWaalsContact O-N 3.1Å; I236-A238 VanDerWaalsContact C-N 3.3Å; I236-A238 PolarHBondContact O-N 3.43Å |
| 239 | K | 89.6 | Confident | 88.9 | Confident | 113 Ų | 113 | 61.3 Ų | 61.3 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -6.8 | 178.5 | -66.6 | -177.5 | -179.1 | -178.4 | 0 | 114.3 | A226 L235 I236 E237 | A226-K239 HydrophobicContact CB-CB 3.76Å; A226-K239 HydrophobicContact CB-CD 4.14Å; L235-K239 WeakPolarHBondContact O-CG 3.32Å; I236-K239 CarbonylContact O-C 3.44Å; I236-K239 WeakPolarHBondContact O-CA 3.39Å; I236-K239 WeakPolarHBondContact O-CB 3.25Å; I236-K239 PolarHBondContact O-N 2.89Å; E237-K239 PolarHBondContact O-N 2.93Å |
| 240 | L | 91.8 | Very high | 89 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -67.7 | 151 | 178.7 | -68.5 | -177 | 0 | 0 | 0 | 111.8 | V222 I236 E237 K245 W248 | V222-L240 HydrophobicContact CB-CD2 4.22Å; V222-L240 HydrophobicContact CG1-CD2 4.08Å; V222-L240 HydrophobicContact CG2-CD2 4.15Å; I236-L240 HydrophobicContact CG2-CD2 4.01Å; I236-L240 HydrophobicContact CG2-CG 4.29Å; I236-L240 PolarHBondContact O-N 2.67Å; I236-L240 VanDerWaalsContact O-N 3.11Å; E237-L240 PolarHBondContact O-N 3.17Å; L240-K245 HydrophobicContact CB-CG 4.12Å; L240-K245 WeakPolarHBondContact O-CE 3.37Å; L240-K245 PolarHBondContact O-NZ 3.44Å; L240-W248 HydrophobicContact CD1-CB 3.72Å; L240-W248 HydrophobicContact CD1-CD2 3.55Å; L240-W248 HydrophobicContact CD1-CE3 3.9Å; L240-W248 HydrophobicContact CD1-CG 3.49Å; L240-W248 VanDerWaalsContact CD1-CG 3.49Å |
| 241 | P | 91.4 | Very high | 89.6 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 20% | 0.201 | 32% | 0.319 | C | S | . | . | trans | -59.4 | 142.5 | 163.9 | -19.8 | 32.1 | 0 | 0 | 0 | 110.7 | H204 P223 A243 S244 | H204-P241 WeakPolarHBondContact CE1-CG 3.42Å; P223-P241 HydrophobicContact CG-CG 4.32Å; P241-A243 VanDerWaalsContact C-N 3.29Å; P241-A243 PolarHBondContact O-N 3.45Å; P241-S244 WeakPolarHBondContact O-CB 3.43Å; P241-S244 PolarHBondContact O-N 3.02Å | ||
| 242 | D | 88.4 | Confident | 89.6 | Confident | 122 Ų | 122 | 61 Ų | 61 | 65% | 0.652 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.2 | -40.4 | -173.3 | -69.2 | -48.6 | 0 | 0 | 0 | 113.3 | S244 K245 | D242-S244 PolarHBondContact O-N 3.38Å; D242-S244 VanDerWaalsContact O-N 3.08Å; D242-K245 PolarHBondContact O-N 2.89Å; D242-K245 WeakPolarHBondContact OD1-CE 3.3Å; D242-K245 IonicContact OD1-NZ 3.45Å; D242-K245 PolarHBondContact OD1-NZ 2.79Å |
| 243 | A | 86.8 | Confident | 89.5 | Confident | 89 Ų | 89 | 62 Ų | 62 | 74% | 0.736 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.4 | -21.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P241 | P241-A243 VanDerWaalsContact C-N 3.29Å; P241-A243 PolarHBondContact O-N 3.45Å |
| 244 | S | 92.4 | Very high | 89.5 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -90.5 | -19.5 | 178.3 | -61.8 | 0 | 0 | 0 | 0 | 113.2 | S221 P241 D242 H247 W248 | S221-S244 PolarHBondContact N-OG 3.23Å; S221-S244 PolarHBondContact O-OG 2.98Å; P241-S244 WeakPolarHBondContact O-CB 3.43Å; P241-S244 PolarHBondContact O-N 3.02Å; D242-S244 PolarHBondContact O-N 3.38Å; D242-S244 VanDerWaalsContact O-N 3.08Å; S244-H247 PolarHBondContact O-N 3.22Å; S244-W248 VanDerWaalsContact O-CB 3.24Å; S244-W248 WeakPolarHBondContact O-CB 3.33Å; S244-W248 PolarHBondContact O-N 3.21Å |
| 245 | K | 90.8 | Very high | 89.7 | Confident | 50 Ų | 50 | 60 Ų | 60 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.4 | -44.7 | -173 | -68.4 | 176.5 | -174.1 | 161.1 | 0 | 113.1 | E237 L240 D242 H247 W248 R249 | E237-K245 WeakPolarHBondContact O-CE 3.43Å; L240-K245 HydrophobicContact CB-CG 4.12Å; L240-K245 WeakPolarHBondContact O-CE 3.37Å; L240-K245 PolarHBondContact O-NZ 3.44Å; D242-K245 PolarHBondContact O-N 2.89Å; D242-K245 WeakPolarHBondContact OD1-CE 3.3Å; D242-K245 IonicContact OD1-NZ 3.45Å; D242-K245 PolarHBondContact OD1-NZ 2.79Å; K245-H247 PolarHBondContact O-N 3.26Å; K245-W248 PolarHBondContact O-N 2.89Å; K245-R249 WeakPolarHBondContact O-CG 3.45Å; K245-R249 PolarHBondContact O-N 3.15Å |
| 246 | D | 87.4 | Confident | 90 | Very high | 110 Ų | 110 | 59.3 Ų | 59.3 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.2 | -24.1 | -179 | -72.4 | -19.7 | 0 | 0 | 0 | 113.4 | R250 | D246-R250 PolarHBondContact O-NE 2.72Å; D246-R250 PolarHBondContact O-NH2 3.48Å |
| 247 | H | 90.1 | Very high | 90.2 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 25% | 0.25 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -88.8 | -39.1 | 175 | -72.2 | -98.3 | 0 | 0 | 0 | 111.2 | L197 T218 I220 S244 K245 R249 R250 | L197-H247 HydrophobicContact CD1-CB 4.35Å; T218-H247 HydrophobicContact CG2-CB 3.92Å; T218-H247 WeakPolarHBondContact CG2-ND1 3.4Å; T218-H247 PolarHBondContact OG1-CE1 3.01Å; T218-H247 PolarHBondContact OG1-ND1 3.12Å; T218-H247 VanDerWaalsContact OG1-ND1 3.08Å; I220-H247 HydrophobicContact CG2-CB 3.64Å; S244-H247 PolarHBondContact O-N 3.22Å; K245-H247 PolarHBondContact O-N 3.26Å; H247-R249 VanDerWaalsContact C-N 3.3Å; H247-R249 PolarHBondContact O-N 3.42Å; H247-R250 PolarHBondContact CD2-NH2 3.29Å; H247-R250 VanDerWaalsContact CD2-NH2 3.31Å; H247-R250 PolarHBondContact CE1-NH2 3.31Å; H247-R250 VanDerWaalsContact CE1-NH2 3.27Å; H247-R250 PolarHBondContact ND1-NH2 2.83Å; H247-R250 PolarHBondContact NE2-NH2 3.18Å; H247-R250 VanDerWaalsContact NE2-NH2 3.18Å; H247-R250 WeakPolarHBondContact O-CA 3.36Å; H247-R250 PolarHBondContact O-N 3.45Å |
| 248 | W | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.3 | -41.9 | 170.7 | 174.4 | -96.7 | 0 | 0 | 0 | 112.5 | M199 I220 V222 V233 I236 E237 L240 S244 K245 R250 R251 L278 I282 | M199-W248 HydrophobicContact CE-CE3 3.72Å; M199-W248 HydrophobicContact CE-CZ3 3.87Å; M199-W248 HydrophobicContact SD-CE3 4.03Å; M199-W248 HydrophobicContact SD-CZ3 3.67Å; I220-W248 HydrophobicContact CD1-CB 4.2Å; I220-W248 HydrophobicContact CD1-CE3 4.33Å; V222-W248 HydrophobicContact CG1-CZ3 4.07Å; V222-W248 HydrophobicContact CG2-CE3 4.06Å; V222-W248 HydrophobicContact CG2-CZ3 3.93Å; V233-W248 HydrophobicContact CG1-CZ2 3.87Å; I236-W248 HydrophobicContact CB-CH2 4.21Å; I236-W248 HydrophobicContact CB-CZ2 3.99Å; I236-W248 HydrophobicContact CD1-CH2 4.12Å; I236-W248 HydrophobicContact CD1-CZ2 4.42Å; I236-W248 HydrophobicContact CG2-CH2 3.66Å; I236-W248 HydrophobicContact CG2-CZ2 3.79Å; I236-W248 HydrophobicContact CG2-CZ3 4.35Å; E237-W248 PolarHBondContact OE2-NE1 3.02Å; E237-W248 VanDerWaalsContact OE2-NE1 3.15Å; L240-W248 HydrophobicContact CD1-CB 3.72Å; L240-W248 HydrophobicContact CD1-CD2 3.55Å; L240-W248 HydrophobicContact CD1-CE3 3.9Å; L240-W248 HydrophobicContact CD1-CG 3.49Å; L240-W248 VanDerWaalsContact CD1-CG 3.49Å; S244-W248 VanDerWaalsContact O-CB 3.24Å; S244-W248 WeakPolarHBondContact O-CB 3.33Å; S244-W248 PolarHBondContact O-N 3.21Å; K245-W248 PolarHBondContact O-N 2.89Å; W248-R250 PolarHBondContact O-N 3.41Å; W248-R251 WeakPolarHBondContact O-CB 3.29Å; W248-R251 WeakPolarHBondContact O-CD 3.47Å; W248-R251 WeakPolarHBondContact O-CG 3.29Å; W248-R251 PolarHBondContact O-N 2.71Å; W248-R251 PolarHBondContact O-NH1 3.48Å; W248-L278 HydrophobicContact CH2-CD1 3.87Å; W248-L278 HydrophobicContact CZ3-CD1 4.07Å; W248-I282 HydrophobicContact CH2-CG2 3.48Å; W248-I282 VanDerWaalsContact CH2-CG2 3.48Å; W248-I282 HydrophobicContact CZ2-CG2 4.06Å; W248-I282 HydrophobicContact CZ3-CG2 4.1Å |
| 249 | R | 89.9 | Confident | 90.8 | Very high | 166 Ų | 166 | 54.6 Ų | 54.6 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20 | 174.6 | -74.7 | 177.6 | 176.1 | -138.5 | -9.4 | 114.2 | E237 K245 H247 | E237-R249 IonicContact OE1-CZ 3.47Å; E237-R249 IonicContact OE1-NE 2.79Å; E237-R249 PolarHBondContact OE1-NE 2.89Å; E237-R249 IonicContact OE1-NH2 3.23Å; E237-R249 PolarHBondContact OE1-NH2 2.79Å; K245-R249 WeakPolarHBondContact O-CG 3.45Å; K245-R249 PolarHBondContact O-N 3.15Å; H247-R249 VanDerWaalsContact C-N 3.3Å; H247-R249 PolarHBondContact O-N 3.42Å |
| 250 | R | 87.4 | Confident | 91.1 | Very high | 123 Ų | 123 | 49.2 Ų | 49.2 | 46% | 0.464 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3.5 | 177.9 | -73.8 | 179.1 | -80 | 167.3 | -2.4 | 113.9 | D246 H247 W248 G252 V253 V254 | D246-R250 PolarHBondContact O-NE 2.72Å; D246-R250 PolarHBondContact O-NH2 3.48Å; H247-R250 PolarHBondContact CD2-NH2 3.29Å; H247-R250 VanDerWaalsContact CD2-NH2 3.31Å; H247-R250 PolarHBondContact CE1-NH2 3.31Å; H247-R250 VanDerWaalsContact CE1-NH2 3.27Å; H247-R250 PolarHBondContact ND1-NH2 2.83Å; H247-R250 PolarHBondContact NE2-NH2 3.18Å; H247-R250 VanDerWaalsContact NE2-NH2 3.18Å; H247-R250 WeakPolarHBondContact O-CA 3.36Å; H247-R250 PolarHBondContact O-N 3.45Å; W248-R250 PolarHBondContact O-N 3.41Å; R250-G252 PolarHBondContact O-N 2.98Å; R250-G252 VanDerWaalsContact O-N 3.12Å; R250-V253 PolarHBondContact O-N 3.25Å; R250-V254 PolarHBondContact O-N 2.73Å |
| 251 | R | 91.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.9 | 180 | 70.2 | -171.6 | 172.8 | -82.8 | -2.6 | 115.3 | L197 M199 E237 W248 V254 V257 D286 T289 | L197-R251 HydrophobicContact CD2-CB 4.06Å; M199-R251 HydrophobicContact CE-CB 3.95Å; E237-R251 IonicContact OE2-NH1 3.88Å; W248-R251 WeakPolarHBondContact O-CB 3.29Å; W248-R251 WeakPolarHBondContact O-CD 3.47Å; W248-R251 WeakPolarHBondContact O-CG 3.29Å; W248-R251 PolarHBondContact O-N 2.71Å; W248-R251 PolarHBondContact O-NH1 3.48Å; R251-V254 WeakPolarHBondContact O-CG2 3.24Å; R251-V257 HydrophobicContact CB-CG2 4.41Å; R251-D286 IonicContact CZ-OD2 3.16Å; R251-D286 IonicContact NE-OD2 4Å; R251-D286 PolarHBondContact NE-OD2 3.38Å; R251-D286 VanDerWaalsContact NE-OD2 3.15Å; R251-D286 IonicContact NH2-OD2 2.7Å; R251-D286 PolarHBondContact NH2-OD2 3.07Å; R251-T289 HydrophobicContact CG-CG2 3.73Å; R251-T289 PolarHBondContact NH2-OG1 2.97Å |
| 252 | G | 86.6 | Confident | 91.2 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 19% | 0.186 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -12.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R250 I290 | R250-G252 PolarHBondContact O-N 2.98Å; R250-G252 VanDerWaalsContact O-N 3.12Å; G252-I290 WeakPolarHBondContact CA-O 3.33Å |
| 253 | V | 87.1 | Confident | 91.4 | Very high | 92 Ų | 92 | 46.8 Ų | 46.8 | 56% | 0.558 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -25.1 | -176.4 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | R250 R292 | R250-V253 PolarHBondContact O-N 3.25Å; V253-R292 PolarHBondContact O-NE 2.71Å; V253-R292 PolarHBondContact O-NH2 2.78Å; V253-R292 VanDerWaalsContact O-NH2 3.12Å |
| 254 | V | 90.1 | Very high | 91.6 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -75.7 | 155.8 | 177 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | S195 L197 R250 R251 V257 R292 | S195-V254 VanDerWaalsContact OG-CA 3.29Å; S195-V254 WeakPolarHBondContact OG-CA 3.25Å; L197-V254 HydrophobicContact CB-CG1 4.3Å; L197-V254 HydrophobicContact CB-CG2 3.94Å; R250-V254 PolarHBondContact O-N 2.73Å; R251-V254 WeakPolarHBondContact O-CG2 3.24Å; V254-V257 HydrophobicContact CG2-CG2 3.81Å; V254-R292 WeakPolarHBondContact O-CD 3.47Å; V254-R292 WeakPolarHBondContact O-CG 3.43Å |
| 255 | D | 90.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 44.6 Ų | 44.6 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -76.2 | -36.1 | -179.8 | -55.4 | -61.3 | 0 | 0 | 0 | 112.1 | I194 S195 R292 S293 | I194-D255 HydrophobicContact CG2-CB 4.46Å; S195-D255 WeakPolarHBondContact CB-OD2 3.17Å; S195-D255 PolarHBondContact N-OD2 2.92Å; S195-D255 PolarHBondContact O-N 3.32Å; S195-D255 VanDerWaalsContact O-N 3.12Å; S195-D255 PolarHBondContact OG-N 3.16Å; S195-D255 PolarHBondContact OG-OD2 2.72Å; D255-R292 IonicContact OD1-CZ 3.51Å; D255-R292 IonicContact OD1-NH1 3.48Å; D255-R292 PolarHBondContact OD1-NH1 2.88Å; D255-S293 WeakPolarHBondContact O-CB 3.3Å; D255-S293 PolarHBondContact O-OG 3.46Å |
| 256 | Y | 94.1 | Very high | 91.3 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 35% | 0.345 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.2 | 179.2 | -60.9 | -84.8 | 0 | 0 | 0 | 112.7 | M188 I194 S195 V196 L197 L296 | M188-Y256 HydrophobicContact CE-CD1 3.82Å; M188-Y256 HydrophobicContact CE-CD2 3.36Å; M188-Y256 HydrophobicContact CE-CE1 4.15Å; M188-Y256 HydrophobicContact CE-CE2 3.74Å; M188-Y256 HydrophobicContact CE-CG 3.4Å; M188-Y256 VanDerWaalsContact CE-CG 3.4Å; I194-Y256 HydrophobicContact CG2-CD2 3.64Å; I194-Y256 HydrophobicContact CG2-CE2 3.82Å; S195-Y256 PolarHBondContact O-N 2.97Å; S195-Y256 VanDerWaalsContact O-N 3.14Å; V196-Y256 WeakPolarHBondContact CA-O 3.44Å; L197-Y256 PolarHBondContact N-O 3.08Å; Y256-L296 HydrophobicContact CD1-CD1 4.21Å |
| 257 | V | 95 | Very high | 91.2 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.7 | 165.9 | 177.1 | 0 | 0 | 0 | 0 | 108.3 | L197 M199 R251 V254 L259 I282 M291 P295 L296 | L197-V257 WeakPolarHBondContact O-CA 3.23Å; M199-V257 HydrophobicContact CE-CG1 3.76Å; M199-V257 HydrophobicContact CG-CG1 4.21Å; M199-V257 HydrophobicContact SD-CG1 3.84Å; R251-V257 HydrophobicContact CB-CG2 4.41Å; V254-V257 HydrophobicContact CG2-CG2 3.81Å; V257-L259 HydrophobicContact CG1-CD2 3.95Å; V257-I282 HydrophobicContact CG1-CD1 4.06Å; V257-M291 HydrophobicContact CB-SD 4.43Å; V257-M291 HydrophobicContact CG2-SD 3.89Å; V257-P295 HydrophobicContact CG1-CB 4.44Å; V257-P295 WeakPolarHBondContact O-CA 3.39Å; V257-L296 PolarHBondContact O-N 2.87Å |
| 258 | V | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.3 | -179 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | I180 L185 V196 L197 V198 M199 L296 L298 | I180-V258 HydrophobicContact CG2-CG1 3.6Å; I180-V258 HydrophobicContact CG2-CG2 4.4Å; L185-V258 HydrophobicContact CD1-CB 4.36Å; L185-V258 HydrophobicContact CD1-CG1 4.33Å; L185-V258 HydrophobicContact CD1-CG2 4.01Å; L185-V258 HydrophobicContact CD2-CG1 4.25Å; V196-V258 HydrophobicContact CG1-CG2 4.23Å; L197-V258 PolarHBondContact O-N 2.84Å; V198-V258 CarbonylContact C-O 3.58Å; V198-V258 WeakPolarHBondContact CA-O 3.24Å; M199-V258 PolarHBondContact N-O 3.35Å; V258-L296 CarbonylContact C-O 3.55Å; V258-L296 WeakPolarHBondContact CA-O 3.37Å; V258-L296 HydrophobicContact CG2-CB 4.33Å; V258-L298 HydrophobicContact CG1-CB 4.37Å |
| 259 | L | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.9 | -178.2 | -45.5 | -177.9 | 0 | 0 | 0 | 109.7 | M199 V257 L275 L278 K279 I282 P295 L296 V297 L298 | M199-L259 HydrophobicContact CB-CD2 3.79Å; M199-L259 HydrophobicContact CG-CD2 4.15Å; M199-L259 WeakPolarHBondContact O-CA 3.22Å; M199-L259 HydrophobicContact SD-CD2 3.79Å; V257-L259 HydrophobicContact CG1-CD2 3.95Å; L259-L275 HydrophobicContact CB-CD2 4.03Å; L259-L278 HydrophobicContact CD1-CG 4.39Å; L259-L278 HydrophobicContact CD2-CD2 4.04Å; L259-L278 HydrophobicContact CD2-CG 4.39Å; L259-K279 HydrophobicContact CD1-CB 3.71Å; L259-K279 HydrophobicContact CD1-CG 4.37Å; L259-I282 HydrophobicContact CD2-CD1 4.08Å; L259-P295 HydrophobicContact CD1-CB 4.06Å; L259-P295 HydrophobicContact CG-CB 4.13Å; L259-L296 PolarHBondContact N-O 2.94Å; L259-V297 WeakPolarHBondContact O-CA 3.37Å; L259-L298 PolarHBondContact O-N 3.03Å |
| 260 | L | 95.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150.6 | 174.4 | 70.1 | 82.5 | 0 | 0 | 0 | 111.7 | V198 M199 D200 A201 I212 L298 Y302 | V198-L260 HydrophobicContact CG1-CD2 3.58Å; V198-L260 HydrophobicContact CG1-CG 4.34Å; M199-L260 PolarHBondContact O-N 3.14Å; M199-L260 VanDerWaalsContact O-N 3.11Å; D200-L260 HydrophobicContact CB-CD1 4.09Å; D200-L260 HydrophobicContact CB-CG 4.45Å; D200-L260 VanDerWaalsContact CG-CD1 3.4Å; D200-L260 WeakPolarHBondContact OD1-CD1 3.17Å; A201-L260 WeakPolarHBondContact CB-O 3.23Å; A201-L260 PolarHBondContact N-O 3.19Å; I212-L260 HydrophobicContact CD1-CD2 3.53Å; I212-L260 HydrophobicContact CG1-CD2 4.32Å; L260-L298 HydrophobicContact CB-CB 3.79Å; L260-L298 HydrophobicContact CB-CD2 3.99Å; L260-L298 HydrophobicContact CB-CG 4.47Å; L260-L298 HydrophobicContact CD2-CD2 3.68Å; L260-L298 HydrophobicContact CG-CD2 4.47Å; L260-Y302 HydrophobicContact CD1-CD2 4.46Å |
| 261 | D | 93.7 | Very high | 89.7 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 15% | 0.15 | 24% | 0.235 | C | C | . | . | trans | -121.9 | -155.3 | 162.3 | 68.3 | 30.3 | 0 | 0 | 0 | 108.9 | F263 S264 L275 G301 Y302 | D261-F263 PolarHBondContact OD1-N 3.29Å; D261-S264 VanDerWaalsContact CG-OG 3.3Å; D261-S264 WeakPolarHBondContact OD1-CB 3.31Å; D261-S264 PolarHBondContact OD1-N 2.69Å; D261-S264 PolarHBondContact OD1-OG 3.21Å; D261-S264 WeakPolarHBondContact OD2-CB 3.1Å; D261-S264 PolarHBondContact OD2-OG 3.06Å; D261-L275 HydrophobicContact CB-CD1 4.16Å; D261-L275 HydrophobicContact CB-CD2 4.27Å; D261-L275 HydrophobicContact CB-CG 4.18Å; D261-L275 VanDerWaalsContact OD2-CD1 3.3Å; D261-L275 WeakPolarHBondContact OD2-CD1 3.44Å; D261-G301 CarbonylContact O-C 3.47Å; D261-G301 WeakPolarHBondContact O-CA 3.49Å; D261-Y302 PolarHBondContact O-N 2.81Å | ||
| 262 | W | 92.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 8% | 0.076 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -66.9 | -36.8 | 176.8 | -87.3 | 111.3 | 0 | 0 | 0 | 114.9 | R202 D206 Y302 E303 L306 V318 P320 P321 | R202-W262 HydrophobicContact CG-CG 4.04Å; D206-W262 HydrophobicContact CB-CZ2 3.87Å; D206-W262 VanDerWaalsContact CG-NE1 3.25Å; D206-W262 PolarHBondContact OD2-NE1 3.32Å; W262-Y302 HydrophobicContact CE3-CD1 4.28Å; W262-Y302 HydrophobicContact CH2-CD1 4.26Å; W262-Y302 AromaticContact CZ3-CD1 3.84Å; W262-Y302 HydrophobicContact CZ3-CD1 3.84Å; W262-Y302 PolarHBondContact O-N 3.37Å; W262-E303 WeakPolarHBondContact O-CB 3.42Å; W262-E303 PolarHBondContact O-N 3.17Å; W262-L306 HydrophobicContact CZ3-CD1 4.03Å; W262-V318 HydrophobicContact CH2-CG1 4.3Å; W262-V318 HydrophobicContact CH2-CG2 4.06Å; W262-P320 HydrophobicContact CE3-CB 4.03Å; W262-P320 HydrophobicContact CE3-CG 4.38Å; W262-P320 HydrophobicContact CZ3-CB 3.95Å; W262-P320 HydrophobicContact CZ3-CG 3.95Å; W262-P321 VanDerWaalsContact CD2-CD 3.47Å; W262-P321 HydrophobicContact CD2-CG 4.09Å; W262-P321 VanDerWaalsContact CE2-CD 3.44Å; W262-P321 HydrophobicContact CG-CG 3.96Å |
| 263 | F | 92.6 | Very high | 88.9 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -146.4 | -21.4 | -162.2 | -52.3 | -65.2 | 0 | 0 | 0 | 116.4 | D261 G300 E303 P320 P321 Q323 | D261-F263 PolarHBondContact OD1-N 3.29Å; F263-G300 CarbonylContact O-C 3.55Å; F263-G300 WeakPolarHBondContact O-CA 3.37Å; F263-E303 HydrophobicContact CD1-CB 3.95Å; F263-E303 WeakPolarHBondContact CD1-OE2 3.49Å; F263-E303 HydrophobicContact CE1-CB 4.02Å; F263-E303 HydrophobicContact CE1-CG 4.41Å; F263-E303 WeakPolarHBondContact CE1-OE2 3.31Å; F263-P320 HydrophobicContact CE1-CB 3.87Å; F263-P320 HydrophobicContact CZ-CB 3.96Å; F263-P321 HydrophobicContact CE2-CG 3.99Å; F263-P321 HydrophobicContact CZ-CG 4.01Å; F263-P321 WeakPolarHBondContact CZ-O 3.35Å; F263-Q323 HydrophobicContact CE2-CG 4.45Å; F263-Q323 HydrophobicContact CZ-CG 4.45Å |
| 264 | S | 90.3 | Very high | 89.1 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 20% | 0.203 | 25% | 0.248 | C | C | . | . | trans | -68.1 | 153.1 | -168.4 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | D261 L298 G300 G301 | D261-S264 VanDerWaalsContact CG-OG 3.3Å; D261-S264 WeakPolarHBondContact OD1-CB 3.31Å; D261-S264 PolarHBondContact OD1-N 2.69Å; D261-S264 PolarHBondContact OD1-OG 3.21Å; D261-S264 WeakPolarHBondContact OD2-CB 3.1Å; D261-S264 PolarHBondContact OD2-OG 3.06Å; S264-L298 VanDerWaalsContact O-O 3.05Å; S264-G300 PolarHBondContact O-N 3.26Å; S264-G301 PolarHBondContact O-N 3.43Å | ||
| 265 | S | 90.9 | Very high | 89.2 | Confident | 21 Ų | 21 | 43 Ų | 43 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | trans | -119.7 | 173.1 | 170.9 | -54 | 0 | 0 | 0 | 0 | 111 | S267 D268 G300 | S265-S267 PolarHBondContact O-N 2.93Å; S265-S267 VanDerWaalsContact O-N 3.12Å; S265-D268 PolarHBondContact N-OD2 3.21Å; S265-D268 WeakPolarHBondContact O-CB 3.23Å; S265-D268 PolarHBondContact O-N 2.64Å; S265-G300 PolarHBondContact OG-N 3.16Å | ||
| 266 | A | 87.2 | Confident | 89.3 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -59.6 | -25.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P176 D268 V297 E299 | P176-A266 HydrophobicContact CB-CB 4.11Å; P176-A266 HydrophobicContact CG-CB 3.97Å; A266-D268 VanDerWaalsContact C-N 3.26Å; A266-D268 PolarHBondContact O-N 2.96Å; A266-V297 HydrophobicContact CB-CB 4.24Å; A266-E299 VanDerWaalsContact CB-OE1 3.29Å; A266-E299 WeakPolarHBondContact CB-OE1 3.41Å; A266-E299 PolarHBondContact N-OE1 3.23Å |
| 267 | S | 84.9 | Confident | 89.2 | Confident | 82 Ų | 82 | 38.6 Ų | 38.6 | 57% | 0.573 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -68 | -18 | 171.9 | 46.8 | 0 | 0 | 0 | 0 | 115 | S265 | S265-S267 PolarHBondContact O-N 2.93Å; S265-S267 VanDerWaalsContact O-N 3.12Å |
| 268 | D | 84.3 | Confident | 89.1 | Confident | 59 Ų | 59 | 38.5 Ų | 38.5 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -98.5 | -7.1 | -173.4 | -58.3 | -62.6 | 0 | 0 | 0 | 113.4 | S265 A266 K270 | S265-D268 PolarHBondContact N-OD2 3.21Å; S265-D268 WeakPolarHBondContact O-CB 3.23Å; S265-D268 PolarHBondContact O-N 2.64Å; A266-D268 VanDerWaalsContact C-N 3.26Å; A266-D268 PolarHBondContact O-N 2.96Å; D268-K270 PolarHBondContact O-N 3.16Å |
| 269 | L | 84.4 | Confident | 89 | Confident | 32 Ų | 32 | 39.2 Ų | 39.2 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | trans | -66.2 | 92.9 | 175.7 | -94.5 | 65.8 | 0 | 0 | 0 | 111.2 | L275 M276 K279 V297 | L269-L275 HydrophobicContact CD1-CB 3.96Å; L269-L275 HydrophobicContact CD1-CD1 4.22Å; L269-L275 HydrophobicContact CG-CB 4.33Å; L269-M276 HydrophobicContact CB-CB 4.38Å; L269-M276 HydrophobicContact CB-SD 3.92Å; L269-M276 HydrophobicContact CD2-SD 4.08Å; L269-M276 HydrophobicContact CG-CB 4.2Å; L269-M276 HydrophobicContact CG-SD 4.22Å; L269-K279 HydrophobicContact CD2-CD 3.87Å; L269-V297 HydrophobicContact CD1-CB 4.46Å; L269-V297 HydrophobicContact CD1-CG1 4.05Å; L269-V297 HydrophobicContact CD1-CG2 3.74Å; L269-V297 HydrophobicContact CD2-CG2 3.6Å; L269-V297 HydrophobicContact CG-CG2 4.33Å | ||
| 270 | K | 83.5 | Confident | 88.7 | Confident | 127 Ų | 127 | 39.7 Ų | 39.7 | 55% | 0.552 | 23% | 0.228 | S | C | * | . | trans | -111.4 | 150.9 | 176.1 | -67.2 | 154.4 | -169.1 | 152 | 0 | 109.1 | D268 G272 T273 M276 | D268-K270 PolarHBondContact O-N 3.16Å; K270-G272 PolarHBondContact O-N 2.87Å; K270-G272 VanDerWaalsContact O-N 3.16Å; K270-T273 HydrophobicContact CB-CG2 4.27Å; K270-T273 PolarHBondContact O-N 2.68Å; K270-T273 PolarHBondContact O-OG1 2.62Å; K270-M276 VanDerWaalsContact O-CB 3.29Å; K270-M276 WeakPolarHBondContact O-CB 3.42Å | ||
| 271 | L | 75.8 | Confident | 88.4 | Confident | 155 Ų | 155 | 39.7 Ų | 39.7 | 81% | 0.812 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 122.7 | 174.1 | -75.9 | 161.6 | 0 | 0 | 0 | 109.9 | ||
| 272 | G | 73.8 | Confident | 88.4 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 52% | 0.515 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | -10.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K270 | K270-G272 PolarHBondContact O-N 2.87Å; K270-G272 VanDerWaalsContact O-N 3.16Å |
| 273 | T | 87.6 | Confident | 88.3 | Confident | 46 Ų | 46 | 42.6 Ų | 42.6 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -76.9 | 156.4 | 171.9 | 70.7 | 0 | 0 | 0 | 0 | 111.8 | K270 M276 S277 | K270-T273 HydrophobicContact CB-CG2 4.27Å; K270-T273 PolarHBondContact O-N 2.68Å; K270-T273 PolarHBondContact O-OG1 2.62Å; T273-M276 PolarHBondContact O-N 2.87Å; T273-M276 VanDerWaalsContact OG1-CB 3.3Å; T273-M276 WeakPolarHBondContact OG1-CB 3.18Å; T273-M276 PolarHBondContact OG1-N 2.8Å; T273-S277 WeakPolarHBondContact O-CB 3.4Å; T273-S277 PolarHBondContact O-N 3.26Å; T273-S277 PolarHBondContact O-OG 3.28Å |
| 274 | T | 90.1 | Very high | 88 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58 | -50.9 | 179.5 | -44.4 | 0 | 0 | 0 | 0 | 111.4 | E224 V227 M276 S277 L278 | E224-T274 HydrophobicContact CB-CG2 3.79Å; V227-T274 HydrophobicContact CB-CG2 3.97Å; V227-T274 HydrophobicContact CG1-CG2 4.03Å; T274-M276 PolarHBondContact O-N 2.78Å; T274-S277 PolarHBondContact O-N 3.45Å; T274-L278 WeakPolarHBondContact O-CB 3.38Å; T274-L278 PolarHBondContact O-N 2.66Å |
| 275 | L | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 179 | -66.8 | -179.1 | 0 | 0 | 0 | 113.4 | A201 L259 D261 L269 K279 V297 | A201-L275 HydrophobicContact CB-CD2 3.74Å; L259-L275 HydrophobicContact CB-CD2 4.03Å; D261-L275 HydrophobicContact CB-CD1 4.16Å; D261-L275 HydrophobicContact CB-CD2 4.27Å; D261-L275 HydrophobicContact CB-CG 4.18Å; D261-L275 VanDerWaalsContact OD2-CD1 3.3Å; D261-L275 WeakPolarHBondContact OD2-CD1 3.44Å; L269-L275 HydrophobicContact CD1-CB 3.96Å; L269-L275 HydrophobicContact CD1-CD1 4.22Å; L269-L275 HydrophobicContact CG-CB 4.33Å; L275-K279 VanDerWaalsContact O-CB 3.28Å; L275-K279 WeakPolarHBondContact O-CB 3.4Å; L275-K279 PolarHBondContact O-N 3.19Å; L275-V297 HydrophobicContact CD1-CG1 4.06Å |
| 276 | M | 92.8 | Very high | 87.5 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.4 | -40 | 176.9 | -171.3 | 64.8 | 177.3 | 0 | 0 | 111.2 | L269 K270 T273 T274 K279 D280 | L269-M276 HydrophobicContact CB-CB 4.38Å; L269-M276 HydrophobicContact CB-SD 3.92Å; L269-M276 HydrophobicContact CD2-SD 4.08Å; L269-M276 HydrophobicContact CG-CB 4.2Å; L269-M276 HydrophobicContact CG-SD 4.22Å; K270-M276 VanDerWaalsContact O-CB 3.29Å; K270-M276 WeakPolarHBondContact O-CB 3.42Å; T273-M276 PolarHBondContact O-N 2.87Å; T273-M276 VanDerWaalsContact OG1-CB 3.3Å; T273-M276 WeakPolarHBondContact OG1-CB 3.18Å; T273-M276 PolarHBondContact OG1-N 2.8Å; T274-M276 PolarHBondContact O-N 2.78Å; M276-K279 PolarHBondContact O-N 3.04Å; M276-D280 WeakPolarHBondContact O-CB 3.31Å; M276-D280 PolarHBondContact O-N 2.93Å |
| 277 | S | 92.3 | Very high | 87 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.6 | -40 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | T273 T274 A281 | T273-S277 WeakPolarHBondContact O-CB 3.4Å; T273-S277 PolarHBondContact O-N 3.26Å; T273-S277 PolarHBondContact O-OG 3.28Å; T274-S277 PolarHBondContact O-N 3.45Å; S277-A281 WeakPolarHBondContact O-CB 3.37Å; S277-A281 PolarHBondContact O-N 2.73Å; S277-A281 VanDerWaalsContact O-N 3.11Å |
| 278 | L | 93.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.9 | -49.9 | 173.4 | 177.8 | 56.8 | 0 | 0 | 0 | 111.3 | A201 V222 V227 I236 W248 L259 T274 D280 A281 I282 | A201-L278 HydrophobicContact CB-CD2 4.09Å; V222-L278 HydrophobicContact CB-CD2 4.37Å; V222-L278 HydrophobicContact CG1-CD1 3.76Å; V222-L278 HydrophobicContact CG1-CD2 3.84Å; V222-L278 HydrophobicContact CG1-CG 4.47Å; V227-L278 HydrophobicContact CG1-CB 4.19Å; V227-L278 HydrophobicContact CG2-CB 4.46Å; V227-L278 HydrophobicContact CG2-CD1 4.41Å; I236-L278 HydrophobicContact CD1-CD1 4Å; W248-L278 HydrophobicContact CH2-CD1 3.87Å; W248-L278 HydrophobicContact CZ3-CD1 4.07Å; L259-L278 HydrophobicContact CD1-CG 4.39Å; L259-L278 HydrophobicContact CD2-CD2 4.04Å; L259-L278 HydrophobicContact CD2-CG 4.39Å; T274-L278 WeakPolarHBondContact O-CB 3.38Å; T274-L278 PolarHBondContact O-N 2.66Å; L278-D280 PolarHBondContact O-N 3.2Å; L278-A281 PolarHBondContact O-N 3.1Å; L278-I282 HydrophobicContact CD1-CG2 4.13Å; L278-I282 WeakPolarHBondContact O-CG1 3.32Å; L278-I282 PolarHBondContact O-N 3.24Å |
| 279 | K | 93.4 | Very high | 86.7 | Confident | 15 Ų | 15 | 56 Ų | 56 | 7% | 0.065 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 179.8 | -177.6 | 163.6 | 174.8 | 165.5 | 0 | 112.3 | L259 L269 L275 M276 I282 Y283 E294 P295 | L259-K279 HydrophobicContact CD1-CB 3.71Å; L259-K279 HydrophobicContact CD1-CG 4.37Å; L269-K279 HydrophobicContact CD2-CD 3.87Å; L275-K279 VanDerWaalsContact O-CB 3.28Å; L275-K279 WeakPolarHBondContact O-CB 3.4Å; L275-K279 PolarHBondContact O-N 3.19Å; M276-K279 PolarHBondContact O-N 3.04Å; K279-I282 PolarHBondContact O-N 2.94Å; K279-Y283 VanDerWaalsContact O-CB 3.28Å; K279-Y283 WeakPolarHBondContact O-CB 3.31Å; K279-Y283 PolarHBondContact O-N 2.94Å; K279-E294 WeakPolarHBondContact CE-OE1 3.29Å; K279-E294 IonicContact NZ-OE1 3.8Å; K279-E294 PolarHBondContact NZ-OE1 3.31Å; K279-P295 HydrophobicContact CD-CB 4.45Å; K279-P295 WeakPolarHBondContact CE-O 3.33Å; K279-P295 HydrophobicContact CG-CB 4.31Å; K279-P295 HydrophobicContact CG-CG 4.47Å; K279-P295 PolarHBondContact NZ-O 3.34Å |
| 280 | D | 91.2 | Very high | 86.7 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.059 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 179.2 | -79.6 | 15.4 | 0 | 0 | 0 | 111.5 | M276 L278 K284 W285 | M276-D280 WeakPolarHBondContact O-CB 3.31Å; M276-D280 PolarHBondContact O-N 2.93Å; L278-D280 PolarHBondContact O-N 3.2Å; D280-K284 HydrophobicContact CB-CD 4.21Å; D280-K284 WeakPolarHBondContact O-CA 3.36Å; D280-K284 WeakPolarHBondContact O-CB 3.37Å; D280-K284 PolarHBondContact O-N 3.34Å; D280-K284 WeakPolarHBondContact OD1-CD 3.5Å; D280-K284 WeakPolarHBondContact OD1-CE 3.39Å; D280-K284 IonicContact OD1-NZ 3.78Å; D280-K284 PolarHBondContact OD1-NZ 2.96Å; D280-K284 IonicContact OD2-NZ 2.78Å; D280-K284 PolarHBondContact OD2-NZ 2.99Å; D280-W285 HydrophobicContact CB-CD2 4.49Å; D280-W285 HydrophobicContact CB-CH2 3.94Å; D280-W285 HydrophobicContact CB-CZ2 3.91Å; D280-W285 HydrophobicContact CB-CZ3 4.26Å; D280-W285 PolarHBondContact O-N 3.1Å |
| 281 | A | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -52.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V233 I236 S277 L278 W285 D286 | V233-A281 HydrophobicContact CG2-CB 4.34Å; V233-A281 WeakPolarHBondContact CG2-O 3.34Å; I236-A281 HydrophobicContact CD1-CB 3.81Å; S277-A281 WeakPolarHBondContact O-CB 3.37Å; S277-A281 PolarHBondContact O-N 2.73Å; S277-A281 VanDerWaalsContact O-N 3.11Å; L278-A281 PolarHBondContact O-N 3.1Å; A281-W285 HydrophobicContact CB-CE3 4.16Å; A281-W285 CarbonylContact O-C 3.49Å; A281-D286 PolarHBondContact O-N 3.17Å; A281-D286 VanDerWaalsContact O-N 3.11Å |
| 282 | I | 91.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79.3 | -24.1 | -174.7 | 66.1 | 170.4 | 0 | 0 | 0 | 114.7 | M199 V233 W248 V257 L259 L278 K279 D286 M291 P295 | M199-I282 HydrophobicContact CE-CD1 4.44Å; M199-I282 HydrophobicContact SD-CD1 4.06Å; V233-I282 HydrophobicContact CG2-CG2 4.18Å; W248-I282 HydrophobicContact CH2-CG2 3.48Å; W248-I282 VanDerWaalsContact CH2-CG2 3.48Å; W248-I282 HydrophobicContact CZ2-CG2 4.06Å; W248-I282 HydrophobicContact CZ3-CG2 4.1Å; V257-I282 HydrophobicContact CG1-CD1 4.06Å; L259-I282 HydrophobicContact CD2-CD1 4.08Å; L278-I282 HydrophobicContact CD1-CG2 4.13Å; L278-I282 WeakPolarHBondContact O-CG1 3.32Å; L278-I282 PolarHBondContact O-N 3.24Å; K279-I282 PolarHBondContact O-N 2.94Å; I282-D286 WeakPolarHBondContact O-CB 3.36Å; I282-M291 HydrophobicContact CB-CE 4.24Å; I282-M291 HydrophobicContact CD1-CE 4.13Å; I282-M291 HydrophobicContact CD1-SD 4.17Å; I282-M291 HydrophobicContact CG1-CE 3.96Å; I282-M291 HydrophobicContact CG1-SD 4.48Å; I282-M291 VanDerWaalsContact O-CE 3.23Å; I282-M291 WeakPolarHBondContact O-CE 3.43Å; I282-P295 HydrophobicContact CD1-CB 4.2Å; I282-P295 HydrophobicContact CD1-CG 3.73Å; I282-P295 HydrophobicContact CG1-CG 4.05Å |
| 283 | Y | 91.3 | Very high | 88 | Confident | 108 Ų | 108 | 55.6 Ų | 55.6 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -112.3 | -28.4 | -173.9 | -170.1 | -121.2 | 0 | 0 | 0 | 114.8 | K279 M291 E294 P295 | K279-Y283 VanDerWaalsContact O-CB 3.28Å; K279-Y283 WeakPolarHBondContact O-CB 3.31Å; K279-Y283 PolarHBondContact O-N 2.94Å; Y283-M291 HydrophobicContact CD2-CE 3.66Å; Y283-M291 HydrophobicContact CG-CE 4.18Å; Y283-E294 HydrophobicContact CD1-CG 4.03Å; Y283-E294 HydrophobicContact CE1-CB 4.03Å; Y283-E294 HydrophobicContact CE1-CG 3.66Å; Y283-E294 HydrophobicContact CE2-CB 4.35Å; Y283-P295 HydrophobicContact CG-CG 4.4Å |
| 284 | K | 85.9 | Confident | 88.1 | Confident | 119 Ų | 119 | 57.4 Ų | 57.4 | 52% | 0.517 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -105.7 | -27.3 | 179.7 | -58.6 | -179.2 | -171.4 | 156.9 | 0 | 113.4 | D280 | D280-K284 HydrophobicContact CB-CD 4.21Å; D280-K284 WeakPolarHBondContact O-CA 3.36Å; D280-K284 WeakPolarHBondContact O-CB 3.37Å; D280-K284 PolarHBondContact O-N 3.34Å; D280-K284 WeakPolarHBondContact OD1-CD 3.5Å; D280-K284 WeakPolarHBondContact OD1-CE 3.39Å; D280-K284 IonicContact OD1-NZ 3.78Å; D280-K284 PolarHBondContact OD1-NZ 2.96Å; D280-K284 IonicContact OD2-NZ 2.78Å; D280-K284 PolarHBondContact OD2-NZ 2.99Å |
| 285 | W | 84.3 | Confident | 88.3 | Confident | 123 Ų | 123 | 55.4 Ų | 55.4 | 47% | 0.466 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -115.2 | -6.7 | -172.3 | -51.8 | -28.3 | 0 | 0 | 0 | 114.5 | D280 A281 S287 | D280-W285 HydrophobicContact CB-CD2 4.49Å; D280-W285 HydrophobicContact CB-CH2 3.94Å; D280-W285 HydrophobicContact CB-CZ2 3.91Å; D280-W285 HydrophobicContact CB-CZ3 4.26Å; D280-W285 PolarHBondContact O-N 3.1Å; A281-W285 HydrophobicContact CB-CE3 4.16Å; A281-W285 CarbonylContact O-C 3.49Å; W285-S287 PolarHBondContact O-N 2.91Å |
| 286 | D | 86.8 | Confident | 88.5 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | trans | -80 | 103.3 | 170.5 | -161.7 | -28.7 | 0 | 0 | 0 | 110.5 | V233 R251 A281 I282 L288 T289 | V233-D286 HydrophobicContact CG2-CB 3.94Å; R251-D286 IonicContact CZ-OD2 3.16Å; R251-D286 IonicContact NE-OD2 4Å; R251-D286 PolarHBondContact NE-OD2 3.38Å; R251-D286 VanDerWaalsContact NE-OD2 3.15Å; R251-D286 IonicContact NH2-OD2 2.7Å; R251-D286 PolarHBondContact NH2-OD2 3.07Å; A281-D286 PolarHBondContact O-N 3.17Å; A281-D286 VanDerWaalsContact O-N 3.11Å; I282-D286 WeakPolarHBondContact O-CB 3.36Å; D286-L288 VanDerWaalsContact C-N 3.34Å; D286-L288 PolarHBondContact OD1-N 2.86Å; D286-T289 PolarHBondContact OD1-N 3.33Å; D286-T289 WeakPolarHBondContact OD2-CB 3.36Å; D286-T289 PolarHBondContact OD2-OG1 3.31Å | ||
| 287 | S | 77.6 | Confident | 88.7 | Confident | 116 Ų | 116 | 55.2 Ų | 55.2 | 81% | 0.811 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -87.3 | -1.2 | 176.2 | 58.6 | 0 | 0 | 0 | 0 | 114 | W285 | W285-S287 PolarHBondContact O-N 2.91Š|
| 288 | L | 78.3 | Confident | 88.8 | Confident | 136 Ų | 136 | 54.9 Ų | 54.9 | 71% | 0.712 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -110.1 | -32.8 | -175.1 | -61.9 | 176.7 | 0 | 0 | 0 | 112.5 | D286 | D286-L288 VanDerWaalsContact C-N 3.34Å; D286-L288 PolarHBondContact OD1-N 2.86Å |
| 289 | T | 84.4 | Confident | 88.9 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | trans | -119.4 | 92.1 | -172.1 | -44.4 | 0 | 0 | 0 | 0 | 111.4 | R251 D286 M291 | R251-T289 HydrophobicContact CG-CG2 3.73Å; R251-T289 PolarHBondContact NH2-OG1 2.97Å; D286-T289 PolarHBondContact OD1-N 3.33Å; D286-T289 WeakPolarHBondContact OD2-CB 3.36Å; D286-T289 PolarHBondContact OD2-OG1 3.31Å; T289-M291 PolarHBondContact O-N 3.1Å | ||
| 290 | I | 83.3 | Confident | 88.6 | Confident | 152 Ų | 152 | 56.7 Ų | 56.7 | 78% | 0.779 | 28% | 0.279 | S | S | * | . | trans | -72.1 | 125.3 | 173.8 | -54.7 | 175.2 | 0 | 0 | 0 | 108.9 | G252 | G252-I290 WeakPolarHBondContact CA-O 3.33Š| ||
| 291 | M | 85.3 | Confident | 88.7 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | trans | -92.9 | 148.8 | 175.5 | -64.1 | -176.9 | -61.7 | 0 | 0 | 111.5 | V257 I282 Y283 T289 S293 P295 | V257-M291 HydrophobicContact CB-SD 4.43Å; V257-M291 HydrophobicContact CG2-SD 3.89Å; I282-M291 HydrophobicContact CB-CE 4.24Å; I282-M291 HydrophobicContact CD1-CE 4.13Å; I282-M291 HydrophobicContact CD1-SD 4.17Å; I282-M291 HydrophobicContact CG1-CE 3.96Å; I282-M291 HydrophobicContact CG1-SD 4.48Å; I282-M291 VanDerWaalsContact O-CE 3.23Å; I282-M291 WeakPolarHBondContact O-CE 3.43Å; Y283-M291 HydrophobicContact CD2-CE 3.66Å; Y283-M291 HydrophobicContact CG-CE 4.18Å; T289-M291 PolarHBondContact O-N 3.1Å; M291-S293 VanDerWaalsContact C-N 3.31Å; M291-S293 PolarHBondContact O-N 3.01Å; M291-P295 HydrophobicContact CE-CG 3.45Å; M291-P295 VanDerWaalsContact CE-CG 3.45Å; M291-P295 HydrophobicContact SD-CG 4.33Å | ||
| 292 | R | 86.1 | Confident | 89 | Confident | 158 Ų | 158 | 56.1 Ų | 56.1 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -69.6 | -26.1 | -177.4 | -63.1 | -174.2 | -179.8 | -177.9 | 2 | 113.8 | V253 V254 D255 | V253-R292 PolarHBondContact O-NE 2.71Å; V253-R292 PolarHBondContact O-NH2 2.78Å; V253-R292 VanDerWaalsContact O-NH2 3.12Å; V254-R292 WeakPolarHBondContact O-CD 3.47Å; V254-R292 WeakPolarHBondContact O-CG 3.43Å; D255-R292 IonicContact OD1-CZ 3.51Å; D255-R292 IonicContact OD1-NH1 3.48Å; D255-R292 PolarHBondContact OD1-NH1 2.88Å |
| 293 | S | 89.4 | Confident | 89 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -141.1 | 162.7 | -179.6 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | D255 M291 | D255-S293 WeakPolarHBondContact O-CB 3.3Å; D255-S293 PolarHBondContact O-OG 3.46Å; M291-S293 VanDerWaalsContact C-N 3.31Å; M291-S293 PolarHBondContact O-N 3.01Å |
| 294 | E | 91.1 | Very high | 89.1 | Confident | 83 Ų | 83 | 56 Ų | 56 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 135 | 170.6 | -178.2 | -177.9 | 168.8 | 0 | 0 | 110.1 | K279 Y283 L296 | K279-E294 WeakPolarHBondContact CE-OE1 3.29Å; K279-E294 IonicContact NZ-OE1 3.8Å; K279-E294 PolarHBondContact NZ-OE1 3.31Å; Y283-E294 HydrophobicContact CD1-CG 4.03Å; Y283-E294 HydrophobicContact CE1-CB 4.03Å; Y283-E294 HydrophobicContact CE1-CG 3.66Å; Y283-E294 HydrophobicContact CE2-CB 4.35Å; E294-L296 PolarHBondContact O-N 2.81Å |
| 295 | P | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 125.7 | 177.2 | -25.9 | 34.8 | 0 | 0 | 0 | 112.4 | V257 L259 K279 I282 Y283 M291 | V257-P295 HydrophobicContact CG1-CB 4.44Å; V257-P295 WeakPolarHBondContact O-CA 3.39Å; L259-P295 HydrophobicContact CD1-CB 4.06Å; L259-P295 HydrophobicContact CG-CB 4.13Å; K279-P295 HydrophobicContact CD-CB 4.45Å; K279-P295 WeakPolarHBondContact CE-O 3.33Å; K279-P295 HydrophobicContact CG-CB 4.31Å; K279-P295 HydrophobicContact CG-CG 4.47Å; K279-P295 PolarHBondContact NZ-O 3.34Å; I282-P295 HydrophobicContact CD1-CB 4.2Å; I282-P295 HydrophobicContact CD1-CG 3.73Å; I282-P295 HydrophobicContact CG1-CG 4.05Å; Y283-P295 HydrophobicContact CG-CG 4.4Å; M291-P295 HydrophobicContact CE-CG 3.45Å; M291-P295 VanDerWaalsContact CE-CG 3.45Å; M291-P295 HydrophobicContact SD-CG 4.33Å |
| 296 | L | 95.9 | Very high | 89.8 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 155.1 | 178.9 | -54.1 | 176.8 | 0 | 0 | 0 | 110.5 | G178 I180 Y256 V257 V258 L259 E294 | G178-L296 CarbonylContact O-C 3.56Å; G178-L296 VanDerWaalsContact O-CA 3.23Å; G178-L296 WeakPolarHBondContact O-CA 3.46Å; I180-L296 HydrophobicContact CB-CB 4.13Å; I180-L296 HydrophobicContact CB-CD1 4.12Å; I180-L296 HydrophobicContact CD1-CD1 4.04Å; I180-L296 HydrophobicContact CG2-CB 3.73Å; I180-L296 HydrophobicContact CG2-CD1 4.42Å; Y256-L296 HydrophobicContact CD1-CD1 4.21Å; V257-L296 PolarHBondContact O-N 2.87Å; V258-L296 CarbonylContact C-O 3.55Å; V258-L296 WeakPolarHBondContact CA-O 3.37Å; V258-L296 HydrophobicContact CG2-CB 4.33Å; L259-L296 PolarHBondContact N-O 2.94Å; E294-L296 PolarHBondContact O-N 2.81Å |
| 297 | V | 96.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.9 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | G178 I180 L259 A266 L269 L275 E299 | G178-V297 PolarHBondContact O-N 2.78Å; I180-V297 WeakPolarHBondContact CG2-O 3.19Å; I180-V297 PolarHBondContact N-O 3.03Å; L259-V297 WeakPolarHBondContact O-CA 3.37Å; A266-V297 HydrophobicContact CB-CB 4.24Å; L269-V297 HydrophobicContact CD1-CB 4.46Å; L269-V297 HydrophobicContact CD1-CG1 4.05Å; L269-V297 HydrophobicContact CD1-CG2 3.74Å; L269-V297 HydrophobicContact CD2-CG2 3.6Å; L269-V297 HydrophobicContact CG-CG2 4.33Å; L275-V297 HydrophobicContact CD1-CG1 4.06Å; V297-E299 PolarHBondContact O-N 3.44Å |
| 298 | L | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 111.5 | 175.1 | 177.7 | 57.7 | 0 | 0 | 0 | 110.2 | I180 A182 L185 I212 V258 L259 L260 S264 G300 G301 W305 | I180-L298 WeakPolarHBondContact O-CA 3.3Å; A182-L298 HydrophobicContact CB-CD1 4.09Å; L185-L298 HydrophobicContact CD2-CD1 3.91Å; L185-L298 HydrophobicContact CD2-CD2 4.16Å; I212-L298 HydrophobicContact CD1-CD2 4.35Å; V258-L298 HydrophobicContact CG1-CB 4.37Å; L259-L298 PolarHBondContact O-N 3.03Å; L260-L298 HydrophobicContact CB-CB 3.79Å; L260-L298 HydrophobicContact CB-CD2 3.99Å; L260-L298 HydrophobicContact CB-CG 4.47Å; L260-L298 HydrophobicContact CD2-CD2 3.68Å; L260-L298 HydrophobicContact CG-CD2 4.47Å; S264-L298 VanDerWaalsContact O-O 3.05Å; L298-G300 PolarHBondContact O-N 2.93Å; L298-G301 WeakPolarHBondContact CD2-O 3.43Å; L298-G301 PolarHBondContact O-N 3.27Å; L298-W305 HydrophobicContact CD2-CB 4.27Å |
| 299 | E | 94.6 | Very high | 91 | Very high | 34 Ų | 34 | 46.4 Ų | 46.4 | 16% | 0.159 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 121.5 | 180 | -60.4 | -70.6 | 101.2 | 0 | 0 | 110.4 | P176 G179 I180 T181 A266 V297 G301 N304 | P176-E299 WeakPolarHBondContact CG-OE2 3.5Å; G179-E299 WeakPolarHBondContact CA-OE1 3.46Å; I180-E299 PolarHBondContact O-N 3.04Å; T181-E299 HydrophobicContact CG2-CG 4.49Å; A266-E299 VanDerWaalsContact CB-OE1 3.29Å; A266-E299 WeakPolarHBondContact CB-OE1 3.41Å; A266-E299 PolarHBondContact N-OE1 3.23Å; V297-E299 PolarHBondContact O-N 3.44Å; E299-G301 VanDerWaalsContact C-N 3.32Å; E299-N304 PolarHBondContact O-ND2 3.2Å |
| 300 | G | 88.1 | Confident | 91.3 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 19% | 0.186 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 8.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F263 S264 S265 L298 N304 | F263-G300 CarbonylContact O-C 3.55Å; F263-G300 WeakPolarHBondContact O-CA 3.37Å; S264-G300 PolarHBondContact O-N 3.26Å; S265-G300 PolarHBondContact OG-N 3.16Å; L298-G300 PolarHBondContact O-N 2.93Å; G300-N304 VanDerWaalsContact O-CB 3.27Å; G300-N304 WeakPolarHBondContact O-CB 3.3Å; G300-N304 PolarHBondContact O-N 2.96Å |
| 301 | G | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | 57.3 | -153.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D261 S264 L298 E299 N304 W305 | D261-G301 CarbonylContact O-C 3.47Å; D261-G301 WeakPolarHBondContact O-CA 3.49Å; S264-G301 PolarHBondContact O-N 3.43Å; L298-G301 WeakPolarHBondContact CD2-O 3.43Å; L298-G301 PolarHBondContact O-N 3.27Å; E299-G301 VanDerWaalsContact C-N 3.32Å; G301-N304 PolarHBondContact O-N 3.31Å; G301-W305 PolarHBondContact O-N 3.44Å |
| 302 | Y | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.9 | -30.3 | -176.6 | -166.8 | -115.9 | 0 | 0 | 0 | 113.6 | R202 S210 H211 I212 L260 D261 W262 N304 W305 L306 T313 V318 | R202-Y302 VanDerWaalsContact NH1-CD1 3.29Å; S210-Y302 VanDerWaalsContact C-OH 3.31Å; S210-Y302 WeakPolarHBondContact CB-OH 3.42Å; S210-Y302 WeakPolarHBondContact O-CE1 3.27Å; S210-Y302 PolarHBondContact O-OH 2.77Å; S210-Y302 PolarHBondContact OG-OH 3.18Å; H211-Y302 VanDerWaalsContact CA-OH 3.3Å; H211-Y302 WeakPolarHBondContact CA-OH 3.36Å; H211-Y302 PolarHBondContact N-OH 3.02Å; H211-Y302 PolarHBondContact O-OH 2.73Å; I212-Y302 HydrophobicContact CG1-CD2 3.96Å; I212-Y302 HydrophobicContact CG1-CE2 3.66Å; L260-Y302 HydrophobicContact CD1-CD2 4.46Å; D261-Y302 PolarHBondContact O-N 2.81Å; W262-Y302 HydrophobicContact CE3-CD1 4.28Å; W262-Y302 HydrophobicContact CH2-CD1 4.26Å; W262-Y302 AromaticContact CZ3-CD1 3.84Å; W262-Y302 HydrophobicContact CZ3-CD1 3.84Å; W262-Y302 PolarHBondContact O-N 3.37Å; Y302-N304 VanDerWaalsContact C-N 3.3Å; Y302-N304 PolarHBondContact O-N 2.92Å; Y302-W305 HydrophobicContact CD2-CB 4.38Å; Y302-W305 PolarHBondContact O-N 3.35Å; Y302-L306 HydrophobicContact CD1-CD1 3.59Å; Y302-L306 HydrophobicContact CD1-CG 3.98Å; Y302-L306 HydrophobicContact CE1-CD1 3.49Å; Y302-L306 VanDerWaalsContact CE1-CD1 3.49Å; Y302-L306 HydrophobicContact CE1-CD2 3.93Å; Y302-L306 HydrophobicContact CE1-CG 3.63Å; Y302-L306 WeakPolarHBondContact O-CG 3.42Å; Y302-L306 PolarHBondContact O-N 2.9Å; Y302-T313 HydrophobicContact CE2-CG2 4.16Å; Y302-T313 WeakPolarHBondContact OH-CB 3.07Å; Y302-T313 VanDerWaalsContact OH-CG2 3.29Å; Y302-T313 WeakPolarHBondContact OH-CG2 3.29Å; Y302-V318 HydrophobicContact CE1-CG1 4.34Å |
| 303 | E | 93.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 42.4 Ų | 42.4 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.5 | -45.2 | 172.3 | 179.2 | 172.8 | -117 | 0 | 0 | 110.5 | W262 F263 W305 L306 L307 P320 | W262-E303 WeakPolarHBondContact O-CB 3.42Å; W262-E303 PolarHBondContact O-N 3.17Å; F263-E303 HydrophobicContact CD1-CB 3.95Å; F263-E303 WeakPolarHBondContact CD1-OE2 3.49Å; F263-E303 HydrophobicContact CE1-CB 4.02Å; F263-E303 HydrophobicContact CE1-CG 4.41Å; F263-E303 WeakPolarHBondContact CE1-OE2 3.31Å; E303-W305 VanDerWaalsContact C-N 3.33Å; E303-W305 PolarHBondContact O-N 3.28Å; E303-L306 WeakPolarHBondContact O-CB 3.31Å; E303-L306 PolarHBondContact O-N 2.79Å; E303-L307 HydrophobicContact CG-CD1 4.24Å; E303-L307 WeakPolarHBondContact O-CG 3.3Å; E303-L307 PolarHBondContact O-N 2.98Å; E303-P320 HydrophobicContact CB-CG 4.23Å; E303-P320 HydrophobicContact CG-CG 3.93Å; E303-P320 WeakPolarHBondContact OE1-CB 3.4Å; E303-P320 WeakPolarHBondContact OE1-CG 3.42Å |
| 304 | N | 92.7 | Very high | 92.4 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.219 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66 | -34.8 | 178.7 | -160.1 | 33.9 | 0 | 0 | 0 | 112.4 | E299 G300 G301 Y302 L307 F308 | E299-N304 PolarHBondContact O-ND2 3.2Å; G300-N304 VanDerWaalsContact O-CB 3.27Å; G300-N304 WeakPolarHBondContact O-CB 3.3Å; G300-N304 PolarHBondContact O-N 2.96Å; G301-N304 PolarHBondContact O-N 3.31Å; Y302-N304 VanDerWaalsContact C-N 3.3Å; Y302-N304 PolarHBondContact O-N 2.92Å; N304-L307 PolarHBondContact O-N 2.97Å; N304-F308 WeakPolarHBondContact O-CD2 3.19Å; N304-F308 PolarHBondContact O-N 3.25Å; N304-F308 WeakPolarHBondContact OD1-CD2 3.29Å; N304-F308 WeakPolarHBondContact OD1-CE2 3.3Å |
| 305 | W | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 171.4 | -173.2 | -85.5 | 0 | 0 | 0 | 112.9 | A182 L185 F186 M189 I212 V214 L298 G301 Y302 E303 L307 F308 Y309 Y312 T313 | A182-W305 HydrophobicContact CB-CE3 4.05Å; A182-W305 WeakPolarHBondContact O-CZ3 3.42Å; L185-W305 HydrophobicContact CB-CZ3 4.1Å; L185-W305 HydrophobicContact CD2-CE3 4.03Å; L185-W305 HydrophobicContact CD2-CZ3 3.7Å; L185-W305 HydrophobicContact CG-CH2 4.39Å; L185-W305 HydrophobicContact CG-CZ3 3.76Å; F186-W305 HydrophobicContact CB-CH2 3.84Å; F186-W305 HydrophobicContact CB-CZ3 4.05Å; F186-W305 AromaticContact CD2-CH2 3.98Å; F186-W305 HydrophobicContact CD2-CH2 3.98Å; F186-W305 HydrophobicContact CD2-CZ2 4.33Å; F186-W305 HydrophobicContact CG-CH2 4.42Å; M189-W305 HydrophobicContact SD-CH2 4.06Å; I212-W305 HydrophobicContact CD1-CB 4.31Å; I212-W305 HydrophobicContact CD1-CD2 3.54Å; I212-W305 HydrophobicContact CD1-CE3 3.93Å; I212-W305 HydrophobicContact CD1-CG 3.7Å; I212-W305 HydrophobicContact CD1-CZ2 4.39Å; I212-W305 HydrophobicContact CD1-CZ3 4.49Å; I212-W305 HydrophobicContact CG1-CD2 4.04Å; I212-W305 HydrophobicContact CG1-CG 3.9Å; I212-W305 HydrophobicContact CG2-CD2 4.48Å; I212-W305 HydrophobicContact CG2-CH2 4.28Å; I212-W305 HydrophobicContact CG2-CZ2 3.56Å; V214-W305 HydrophobicContact CG2-CZ2 4.27Å; L298-W305 HydrophobicContact CD2-CB 4.27Å; G301-W305 PolarHBondContact O-N 3.44Å; Y302-W305 HydrophobicContact CD2-CB 4.38Å; Y302-W305 PolarHBondContact O-N 3.35Å; E303-W305 VanDerWaalsContact C-N 3.33Å; E303-W305 PolarHBondContact O-N 3.28Å; W305-L307 VanDerWaalsContact C-N 3.26Å; W305-L307 PolarHBondContact O-N 3.3Å; W305-F308 PolarHBondContact O-N 3.39Å; W305-Y309 HydrophobicContact CD2-CD2 4.17Å; W305-Y309 AromaticContact CE3-CD2 3.98Å; W305-Y309 HydrophobicContact CE3-CD2 3.98Å; W305-Y309 HydrophobicContact CH2-CD2 4.31Å; W305-Y309 HydrophobicContact CZ2-CD2 4.46Å; W305-Y309 HydrophobicContact CZ2-CG 4.39Å; W305-Y309 HydrophobicContact CZ3-CD2 4.05Å; W305-Y309 CarbonylContact O-C 3.54Å; W305-Y309 WeakPolarHBondContact O-CA 3.33Å; W305-Y309 PolarHBondContact O-N 3.32Å; W305-Y312 PolarHBondContact NE1-O 3.31Å; W305-Y312 VanDerWaalsContact NE1-O 3.12Å; W305-T313 VanDerWaalsContact CD1-CG2 3.47Å |
| 306 | L | 90.3 | Very high | 92.1 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -35.3 | 175.3 | -78.1 | 163.8 | 0 | 0 | 0 | 112.3 | W262 Y302 E303 P310 T313 V318 | W262-L306 HydrophobicContact CZ3-CD1 4.03Å; Y302-L306 HydrophobicContact CD1-CD1 3.59Å; Y302-L306 HydrophobicContact CD1-CG 3.98Å; Y302-L306 HydrophobicContact CE1-CD1 3.49Å; Y302-L306 VanDerWaalsContact CE1-CD1 3.49Å; Y302-L306 HydrophobicContact CE1-CD2 3.93Å; Y302-L306 HydrophobicContact CE1-CG 3.63Å; Y302-L306 WeakPolarHBondContact O-CG 3.42Å; Y302-L306 PolarHBondContact O-N 2.9Å; E303-L306 WeakPolarHBondContact O-CB 3.31Å; E303-L306 PolarHBondContact O-N 2.79Å; L306-P310 WeakPolarHBondContact O-CB 3.48Å; L306-P310 VanDerWaalsContact O-CD 3.31Å; L306-P310 WeakPolarHBondContact O-CD 3.46Å; L306-T313 HydrophobicContact CD2-CG2 3.97Å; L306-V318 HydrophobicContact CD1-CG1 3.54Å; L306-V318 HydrophobicContact CD2-CG1 3.88Å; L306-V318 HydrophobicContact CG-CG1 4.38Å |
| 307 | L | 88.2 | Confident | 91.6 | Very high | 128 Ų | 128 | 53 Ų | 53 | 67% | 0.67 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.4 | -46.9 | 178.1 | -70.7 | 170 | 0 | 0 | 0 | 112.4 | E303 N304 W305 | E303-L307 HydrophobicContact CG-CD1 4.24Å; E303-L307 WeakPolarHBondContact O-CG 3.3Å; E303-L307 PolarHBondContact O-N 2.98Å; N304-L307 PolarHBondContact O-N 2.97Å; W305-L307 VanDerWaalsContact C-N 3.26Å; W305-L307 PolarHBondContact O-N 3.3Å |
| 308 | F | 88.4 | Confident | 91.2 | Very high | 128 Ų | 128 | 53.9 Ų | 53.9 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -85.7 | -35.2 | -176.8 | -74.5 | -65.8 | 0 | 0 | 0 | 114.4 | A182 N304 W305 P310 | A182-F308 HydrophobicContact CB-CD2 4.37Å; N304-F308 WeakPolarHBondContact O-CD2 3.19Å; N304-F308 PolarHBondContact O-N 3.25Å; N304-F308 WeakPolarHBondContact OD1-CD2 3.29Å; N304-F308 WeakPolarHBondContact OD1-CE2 3.3Å; W305-F308 PolarHBondContact O-N 3.39Å; F308-P310 VanDerWaalsContact C-CD 3.42Å |
| 309 | Y | 92.7 | Very high | 90.5 | Very high | 39 Ų | 39 | 64.5 Ų | 64.5 | 15% | 0.153 | 32% | 0.318 | C | S | . | . | trans | -130.7 | 48.4 | -171.3 | -60.1 | -67.6 | 0 | 0 | 0 | 114 | A182 E183 F186 W305 M311 Y312 | A182-Y309 HydrophobicContact CB-CD2 4.2Å; A182-Y309 HydrophobicContact CB-CE2 3.99Å; E183-Y309 WeakPolarHBondContact CA-OH 3.47Å; F186-Y309 HydrophobicContact CB-CD1 4.49Å; F186-Y309 HydrophobicContact CB-CD2 4.22Å; F186-Y309 HydrophobicContact CB-CE1 4.11Å; F186-Y309 HydrophobicContact CB-CE2 3.81Å; F186-Y309 HydrophobicContact CD1-CD1 4.08Å; F186-Y309 AromaticContact CD1-CE1 3.41Å; F186-Y309 HydrophobicContact CD1-CE1 3.41Å; F186-Y309 VanDerWaalsContact CD1-CE1 3.41Å; F186-Y309 AromaticContact CD1-CZ 3.73Å; F186-Y309 AromaticContact CD2-CD1 3.87Å; F186-Y309 HydrophobicContact CD2-CD1 3.87Å; F186-Y309 HydrophobicContact CD2-CE1 4.05Å; F186-Y309 HydrophobicContact CD2-CG 4.22Å; F186-Y309 HydrophobicContact CE1-CD1 4.14Å; F186-Y309 AromaticContact CE1-CE1 3.63Å; F186-Y309 HydrophobicContact CE1-CE1 3.63Å; F186-Y309 AromaticContact CE2-CD1 3.97Å; F186-Y309 HydrophobicContact CE2-CD1 3.97Å; F186-Y309 HydrophobicContact CE2-CE1 4.27Å; F186-Y309 AromaticContact CG-CD1 3.89Å; F186-Y309 HydrophobicContact CG-CD1 3.89Å; F186-Y309 HydrophobicContact CG-CD2 4.47Å; F186-Y309 AromaticContact CG-CE1 3.59Å; F186-Y309 HydrophobicContact CG-CE1 3.59Å; F186-Y309 HydrophobicContact CG-CE2 4.2Å; F186-Y309 HydrophobicContact CG-CG 4.34Å; F186-Y309 AromaticContact CG-CZ 3.77Å; F186-Y309 HydrophobicContact CZ-CD1 4.05Å; F186-Y309 HydrophobicContact CZ-CE1 4.03Å; W305-Y309 HydrophobicContact CD2-CD2 4.17Å; W305-Y309 AromaticContact CE3-CD2 3.98Å; W305-Y309 HydrophobicContact CE3-CD2 3.98Å; W305-Y309 HydrophobicContact CH2-CD2 4.31Å; W305-Y309 HydrophobicContact CZ2-CD2 4.46Å; W305-Y309 HydrophobicContact CZ2-CG 4.39Å; W305-Y309 HydrophobicContact CZ3-CD2 4.05Å; W305-Y309 CarbonylContact O-C 3.54Å; W305-Y309 WeakPolarHBondContact O-CA 3.33Å; W305-Y309 PolarHBondContact O-N 3.32Å; Y309-M311 PolarHBondContact O-N 3.12Å; Y309-M311 VanDerWaalsContact O-N 3.15Å; Y309-Y312 HydrophobicContact CD1-CD2 4.23Å; Y309-Y312 CarbonylContact O-C 3.52Å; Y309-Y312 WeakPolarHBondContact O-CA 3Å; Y309-Y312 PolarHBondContact O-N 2.96Å | ||
| 310 | P | 90.1 | Very high | 89.8 | Confident | 49 Ų | 49 | 65 Ų | 65 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -57.9 | -34.6 | -177.7 | 21.7 | -31.5 | 0 | 0 | 0 | 113 | L306 F308 Y312 T313 A316 | L306-P310 WeakPolarHBondContact O-CB 3.48Å; L306-P310 VanDerWaalsContact O-CD 3.31Å; L306-P310 WeakPolarHBondContact O-CD 3.46Å; F308-P310 VanDerWaalsContact C-CD 3.42Å; P310-Y312 PolarHBondContact O-N 3.06Å; P310-T313 PolarHBondContact O-N 3.22Å; P310-T313 PolarHBondContact O-OG1 2.79Å; P310-A316 HydrophobicContact CB-CB 3.73Å |
| 311 | M | 89.1 | Confident | 89.6 | Confident | 156 Ų | 156 | 67 Ų | 67 | 77% | 0.768 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -71.5 | -5.5 | 177 | 68.6 | -178.6 | 66.9 | 0 | 0 | 114.8 | Y309 | Y309-M311 PolarHBondContact O-N 3.12Å; Y309-M311 VanDerWaalsContact O-N 3.15Å |
| 312 | Y | 92.6 | Very high | 87.8 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -114.1 | 40.8 | 173.2 | -62.4 | -77.4 | 0 | 0 | 0 | 110.3 | F186 K190 Q213 V214 W305 Y309 P310 | F186-Y312 HydrophobicContact CD2-CD2 4.27Å; F186-Y312 HydrophobicContact CE2-CD1 4.15Å; F186-Y312 AromaticContact CE2-CD2 3.36Å; F186-Y312 HydrophobicContact CE2-CD2 3.36Å; F186-Y312 HydrophobicContact CE2-CE1 4.1Å; F186-Y312 AromaticContact CE2-CE2 3.28Å; F186-Y312 HydrophobicContact CE2-CE2 3.28Å; F186-Y312 AromaticContact CE2-CG 3.8Å; F186-Y312 HydrophobicContact CE2-CG 3.8Å; F186-Y312 AromaticContact CE2-CZ 3.67Å; F186-Y312 AromaticContact CZ-CD2 3.86Å; F186-Y312 HydrophobicContact CZ-CD2 3.86Å; F186-Y312 AromaticContact CZ-CE2 3.32Å; F186-Y312 HydrophobicContact CZ-CE2 3.32Å; F186-Y312 AromaticContact CZ-CZ 3.71Å; K190-Y312 WeakPolarHBondContact CE-OH 3.48Å; K190-Y312 PolarHBondContact NZ-OH 2.89Å; K190-Y312 VanDerWaalsContact NZ-OH 3.13Å; Q213-Y312 PolarHBondContact N-O 2.62Å; Q213-Y312 CarbonylContact O-C 3.52Å; Q213-Y312 WeakPolarHBondContact O-CA 3.43Å; V214-Y312 HydrophobicContact CG2-CD1 4.43Å; W305-Y312 PolarHBondContact NE1-O 3.31Å; W305-Y312 VanDerWaalsContact NE1-O 3.12Å; Y309-Y312 HydrophobicContact CD1-CD2 4.23Å; Y309-Y312 CarbonylContact O-C 3.52Å; Y309-Y312 WeakPolarHBondContact O-CA 3Å; Y309-Y312 PolarHBondContact O-N 2.96Å; P310-Y312 PolarHBondContact O-N 3.06Å |
| 313 | T | 92.8 | Very high | 85.9 | Confident | 14 Ų | 14 | 84.3 Ų | 84.3 | 9% | 0.086 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -135.4 | 154.5 | 171.7 | 66.3 | 0 | 0 | 0 | 0 | 110.4 | H211 Y302 W305 L306 P310 N315 A316 | H211-T313 WeakPolarHBondContact O-CA 3.35Å; H211-T313 WeakPolarHBondContact O-CB 3.34Å; Y302-T313 HydrophobicContact CE2-CG2 4.16Å; Y302-T313 WeakPolarHBondContact OH-CB 3.07Å; Y302-T313 VanDerWaalsContact OH-CG2 3.29Å; Y302-T313 WeakPolarHBondContact OH-CG2 3.29Å; W305-T313 VanDerWaalsContact CD1-CG2 3.47Å; L306-T313 HydrophobicContact CD2-CG2 3.97Å; P310-T313 PolarHBondContact O-N 3.22Å; P310-T313 PolarHBondContact O-OG1 2.79Å; T313-N315 VanDerWaalsContact C-N 3.31Å; T313-N315 PolarHBondContact O-N 2.79Å; T313-A316 PolarHBondContact OG1-N 3.21Å |
| 314 | T | 92 | Very high | 83.2 | Confident | 58 Ų | 58 | 86.9 Ų | 86.9 | 36% | 0.356 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -68.5 | -28.4 | 177.3 | 45.1 | 0 | 0 | 0 | 0 | 112.9 | S210 H211 Q213 | S210-T314 WeakPolarHBondContact CA-OG1 3.39Å; H211-T314 PolarHBondContact N-OG1 2.93Å; H211-T314 PolarHBondContact O-N 2.82Å; H211-T314 VanDerWaalsContact O-N 3.16Å; Q213-T314 HydrophobicContact CB-CG2 4.18Å |
| 315 | N | 90.6 | Very high | 80.5 | Confident | 64 Ų | 64 | 90.5 Ų | 90.5 | 34% | 0.342 | 44% | 0.444 | S | S | . | . | trans | -152.7 | 87.1 | 179.6 | 172 | 25.2 | 0 | 0 | 0 | 113.1 | E209 S210 T313 K317 V318 | E209-N315 VanDerWaalsContact O-CB 3.25Å; E209-N315 WeakPolarHBondContact O-CB 3.43Å; E209-N315 PolarHBondContact O-ND2 3.16Å; S210-N315 WeakPolarHBondContact CB-O 3.23Å; S210-N315 WeakPolarHBondContact OG-CA 3.33Å; S210-N315 PolarHBondContact OG-N 3.34Å; S210-N315 PolarHBondContact OG-O 2.85Å; S210-N315 VanDerWaalsContact OG-O 3.12Å; T313-N315 VanDerWaalsContact C-N 3.31Å; T313-N315 PolarHBondContact O-N 2.79Å; N315-K317 PolarHBondContact O-N 3.12Å; N315-K317 PolarHBondContact OD1-N 3.36Å; N315-V318 PolarHBondContact O-N 3.05Å | ||
| 316 | A | 87.9 | Confident | 77.5 | Confident | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 4.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | P310 T313 | P310-A316 HydrophobicContact CB-CB 3.73Å; T313-A316 PolarHBondContact OG1-N 3.21Å |
| 317 | K | 85.4 | Confident | 74.5 | Confident | 183 Ų | 183 | 101.6 Ų | 101.6 | 80% | 0.796 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -0.6 | 177.5 | -63 | -179.7 | -178.5 | 173.9 | 0 | 113.7 | N315 | N315-K317 PolarHBondContact O-N 3.12Å; N315-K317 PolarHBondContact OD1-N 3.36Å |
| 318 | V | 89.4 | Confident | 72.1 | Confident | 19 Ų | 19 | 101.3 Ų | 101.3 | 12% | 0.115 | 52% | 0.516 | C | S | . | . | trans | -57 | 149.5 | 172.2 | 74.2 | 0 | 0 | 0 | 0 | 110.4 | E209 W262 Y302 L306 N315 | E209-V318 HydrophobicContact CB-CG2 4.28Å; W262-V318 HydrophobicContact CH2-CG1 4.3Å; W262-V318 HydrophobicContact CH2-CG2 4.06Å; Y302-V318 HydrophobicContact CE1-CG1 4.34Å; L306-V318 HydrophobicContact CD1-CG1 3.54Å; L306-V318 HydrophobicContact CD2-CG1 3.88Å; L306-V318 HydrophobicContact CG-CG1 4.38Å; N315-V318 PolarHBondContact O-N 3.05Å | ||
| 319 | R | 79.4 | Confident | 69.3 | Low | 222 Ų | 222 | 102 Ų | 102 | 84% | 0.838 | 53% | 0.525 | S | S | * | . | trans | -113.4 | 122.5 | 179.4 | -69.9 | -177.4 | 174.6 | -176.9 | -2.4 | 109.6 | ||||
| 320 | P | 81.4 | Confident | 66.4 | Low | 44 Ų | 44 | 105.6 Ų | 105.6 | 29% | 0.286 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 145.2 | 174.9 | -26.2 | 35.1 | 0 | 0 | 0 | 112.3 | W262 F263 E303 | W262-P320 HydrophobicContact CE3-CB 4.03Å; W262-P320 HydrophobicContact CE3-CG 4.38Å; W262-P320 HydrophobicContact CZ3-CB 3.95Å; W262-P320 HydrophobicContact CZ3-CG 3.95Å; F263-P320 HydrophobicContact CE1-CB 3.87Å; F263-P320 HydrophobicContact CZ-CB 3.96Å; E303-P320 HydrophobicContact CB-CG 4.23Å; E303-P320 HydrophobicContact CG-CG 3.93Å; E303-P320 WeakPolarHBondContact OE1-CB 3.4Å; E303-P320 WeakPolarHBondContact OE1-CG 3.42Å |
| 321 | P | 81.9 | Confident | 63.4 | Low | 61 Ų | 61 | 111.5 Ų | 111.5 | 40% | 0.396 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 140.4 | 177.5 | 24.8 | -32.2 | 0 | 0 | 0 | 110.8 | W262 F263 Q323 | W262-P321 VanDerWaalsContact CD2-CD 3.47Å; W262-P321 HydrophobicContact CD2-CG 4.09Å; W262-P321 VanDerWaalsContact CE2-CD 3.44Å; W262-P321 HydrophobicContact CG-CG 3.96Å; F263-P321 HydrophobicContact CE2-CG 3.99Å; F263-P321 HydrophobicContact CZ-CG 4.01Å; F263-P321 WeakPolarHBondContact CZ-O 3.35Å; P321-Q323 PolarHBondContact O-N 3.26Å |
| 322 | R | 57.5 | Low | 60.6 | Low | 241 Ų | 241 | 111.5 Ų | 111.5 | 91% | 0.909 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.5 | -177.4 | -72.5 | -179.8 | 172 | 176.8 | -3.7 | 110.8 | T324 | R322-T324 PolarHBondContact O-N 3.14Å; R322-T324 VanDerWaalsContact O-N 3.1Å |
| 323 | Q | 54.3 | Low | 57.8 | Low | 122 Ų | 122 | 115.6 Ų | 115.6 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | trans | -62.4 | 110 | 174.2 | -66.5 | -177.9 | 0.7 | 0 | 0 | 111.2 | F263 P321 I325 | F263-Q323 HydrophobicContact CE2-CG 4.45Å; F263-Q323 HydrophobicContact CZ-CG 4.45Å; P321-Q323 PolarHBondContact O-N 3.26Å; Q323-I325 HydrophobicContact CB-CG1 4.37Å; Q323-I325 PolarHBondContact O-N 2.84Å | ||
| 324 | T | 36.8 | Very low | 54.6 | Low | 122 Ų | 122 | 124.2 Ų | 124.2 | 75% | 0.748 | 64% | 0.641 | S | S | * | * | trans | -79.2 | 83.6 | 172.2 | -49.8 | 0 | 0 | 0 | 0 | 109.3 | R322 T326 | R322-T324 PolarHBondContact O-N 3.14Å; R322-T324 VanDerWaalsContact O-N 3.1Å; T324-T326 PolarHBondContact O-N 2.72Å | ||
| 325 | I | 35.2 | Very low | 51.8 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 60% | 0.6 | 66% | 0.664 | S | S | * | * | trans | -67.8 | 96.6 | -179.2 | -54.9 | 176.8 | 0 | 0 | 0 | 109.9 | Q323 N327 | Q323-I325 HydrophobicContact CB-CG1 4.37Å; Q323-I325 PolarHBondContact O-N 2.84Å; I325-N327 PolarHBondContact O-N 3.34Å | ||
| 326 | T | 30.9 | Very low | 48.9 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 77% | 0.767 | 69% | 0.688 | S | S | * | * | trans | -77.5 | 64.7 | 177.1 | 40.1 | 0 | 0 | 0 | 0 | 111.8 | T324 S328 | T324-T326 PolarHBondContact O-N 2.72Å; T326-S328 PolarHBondContact O-N 2.82Å | ||
| 327 | N | 28.6 | Very low | 46.3 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | trans | -65.3 | 94.1 | 174.5 | -85.7 | -24.1 | 0 | 0 | 0 | 111.7 | I325 L329 | I325-N327 PolarHBondContact O-N 3.34Å; N327-L329 PolarHBondContact O-N 3.38Å | ||
| 328 | S | 36.2 | Very low | 43.8 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | trans | -80.3 | 63 | 172 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | T326 | T326-S328 PolarHBondContact O-N 2.82Š| ||
| 329 | L | 29.8 | Very low | 41.3 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | -96.5 | 142.7 | 164.4 | -78.9 | 168.7 | 0 | 0 | 0 | 110.4 | N327 Q331 | N327-L329 PolarHBondContact O-N 3.38Å; L329-Q331 PolarHBondContact O-N 2.97Å | ||
| 330 | P | 32.7 | Very low | 39.4 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | trans | -68.2 | 132.9 | -176.2 | 27.8 | -34.4 | 0 | 0 | 0 | 111.5 | L332 | P330-L332 PolarHBondContact O-N 3.39Š| ||
| 331 | Q | 27.8 | Very low | 37.2 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -66.7 | 113.8 | 178.1 | -73.4 | -179.4 | -45.3 | 0 | 0 | 111.5 | L329 | L329-Q331 PolarHBondContact O-N 2.97Š| ||
| 332 | L | 29.7 | Very low | 35.1 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | -94.4 | 103.6 | 158.7 | -73.1 | 172.3 | 0 | 0 | 0 | 108.2 | P330 F334 | P330-L332 PolarHBondContact O-N 3.39Å; L332-F334 PolarHBondContact O-N 3.41Å; L332-F334 VanDerWaalsContact O-N 3.09Å | ||
| 333 | N | 32.7 | Very low | 34 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -73 | 100.1 | 179.1 | -79.5 | -23.8 | 0 | 0 | 0 | 111.1 | ||||
| 334 | F | 27.3 | Very low | 33.5 | Very low | 195 Ų | 195 | 144 Ų | 144 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -116.4 | 110.4 | 157.6 | -83.7 | -83.6 | 0 | 0 | 0 | 109.1 | L332 | L332-F334 PolarHBondContact O-N 3.41Å; L332-F334 VanDerWaalsContact O-N 3.09Å | ||
| 335 | S | 32.1 | Very low | 33.7 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -84.7 | 138.3 | 165.9 | -175.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 336 | Y | 29 | Very low | 33.7 | Very low | 218 Ų | 218 | 145 Ų | 145 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -133.2 | 140.5 | 168.5 | -143.5 | -95.8 | 0 | 0 | 0 | 108.6 | ||||
| 337 | P | 33.6 | Very low | 33.9 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | trans | -70.3 | 143.5 | -166.7 | -19.9 | 33.9 | 0 | 0 | 0 | 113.5 | ||||
| 338 | S | 34.2 | Very low | 34.3 | Very low | 86 Ų | 86 | 144.8 Ų | 144.8 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | trans | -71.1 | 140.7 | 166.4 | -166.7 | 0 | 0 | 0 | 0 | 110.1 | E340 | S338-E340 PolarHBondContact OG-OE2 2.96Š| ||
| 339 | L | 35.9 | Very low | 34.4 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -106.4 | 76.5 | 170.9 | -73.4 | 176.5 | 0 | 0 | 0 | 109.4 | ||||
| 340 | E | 39.5 | Very low | 34.8 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | -120.9 | 110 | 169.4 | -72 | 167.4 | 112.8 | 0 | 0 | 107.6 | S338 | S338-E340 PolarHBondContact OG-OE2 2.96Š| ||
| 341 | E | 36.2 | Very low | 34.7 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 135.2 | -175.7 | -65.2 | -175.1 | 145.4 | 0 | 0 | 111.3 | ||
| 342 | P | 37.8 | Very low | 34.9 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 142.8 | -175.2 | 29.2 | -34.9 | 0 | 0 | 0 | 112.3 | ||
| 343 | K | 34.6 | Very low | 35 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.6 | 171.3 | -78.2 | 179.7 | 175.2 | 175.9 | 0 | 111.4 | ||
| 344 | P | 42 | Very low | 34.9 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 148.6 | 173.4 | 28.6 | -35.2 | 0 | 0 | 0 | 111.5 | ||
| 345 | P | 42.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 141.1 | -176.2 | 30.5 | -35.1 | 0 | 0 | 0 | 113.3 | ||
| 346 | T | 34.9 | Very low | 35.4 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73 | 139.2 | 167.6 | -50 | 0 | 0 | 0 | 0 | 110.1 | ||
| 347 | P | 35.9 | Very low | 35.4 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 147.1 | -179.2 | 27.6 | -36 | 0 | 0 | 0 | 113.6 | ||
| 348 | T | 35.5 | Very low | 36.1 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 155.4 | 168.1 | 23.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 349 | P | 38.8 | Very low | 35.9 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 160.4 | 180 | 32.6 | -36.1 | 0 | 0 | 0 | 112.5 | ||
| 350 | P | 39.3 | Very low | 35.7 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 132.8 | -179.4 | 34.2 | -32.6 | 0 | 0 | 0 | 112.8 | ||
| 351 | E | 30.1 | Very low | 36.2 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -129.2 | 146.1 | 154 | -85.7 | -175.9 | 147.7 | 0 | 0 | 109.7 | ||||
| 352 | R | 31.3 | Very low | 35.9 | Very low | 224 Ų | 224 | 142.8 Ų | 142.8 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -99.9 | 158.2 | 166.3 | -53.5 | 177.2 | 177.9 | 167.1 | -2.3 | 106.1 | ||||
| 353 | D | 31.2 | Very low | 35.5 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | -174.9 | 163 | 56 | -112.4 | -43.4 | 0 | 0 | 0 | 111.8 | |||||
| 354 | I | 31.1 | Very low | 36.3 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | 67 | 131.8 | 150 | -63.9 | 161.2 | 0 | 0 | 0 | 119.8 | ||||
| 355 | S | 27.2 | Very low | 35.9 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -90.2 | 167.5 | 173.6 | -43.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 356 | P | 42.7 | Very low | 35.5 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | -149.2 | 176.8 | 87 | 38.5 | -19.6 | 0 | 0 | 0 | 117.6 | |||||
| 357 | E | 29.1 | Very low | 35.4 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -64.3 | -174.2 | 170.9 | -77.5 | -177.4 | 95.2 | 0 | 0 | 116.3 | ||||
| 358 | P | 49.1 | Very low | 35.4 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | cis | -138.4 | -177.7 | -42.9 | 37.3 | -20.5 | 0 | 0 | 0 | 113.3 | ||||
| 359 | Q | 29.2 | Very low | 35.3 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | 177.7 | 154.4 | 123.5 | -97 | 173 | 9.7 | 0 | 0 | 114.7 | |||||
| 360 | E | 32.2 | Very low | 35 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -84.1 | 175.9 | 176.5 | -73.5 | -169.3 | 128.1 | 0 | 0 | 112.9 | ||||
| 361 | P | 50.5 | Low | 34.3 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | cis | -123.3 | -159.3 | 6.7 | 38.6 | -17.8 | 0 | 0 | 0 | 112.4 | ||||
| 362 | A | 28.9 | Very low | 35.4 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | cis | -156.4 | -168.2 | 13.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 363 | A | 29.1 | Very low | 35.4 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -146.2 | -173 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 364 | P | 51.8 | Low | 35.4 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | cis | -121 | -143.3 | -2 | 26.8 | -0.1 | 0 | 0 | 0 | 111.6 | ||||
| 365 | T | 33 | Very low | 37 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | cis | -164.4 | 123.8 | 17 | -24.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 366 | L | 34.9 | Very low | 38.1 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 43.4 | 161.3 | 133 | -49.6 | -178.3 | 0 | 0 | 0 | 122.2 | ||||
| 367 | V | 33.3 | Very low | 37.7 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -159.9 | 152.4 | 11.7 | 93.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 368 | N | 35.6 | Very low | 37.9 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 42 | 153.5 | 155.3 | -58 | -13.5 | 0 | 0 | 0 | 124.4 | ||||
| 369 | G | 32.4 | Very low | 37.2 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | 155.8 | 162.6 | -13.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 370 | V | 32.8 | Very low | 37.3 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | trans | 77.4 | 101.5 | 152 | -166.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 371 | S | 25.7 | Very low | 37.2 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | 38.1 | 175.6 | 109.6 | -36.5 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 372 | P | 51.8 | Low | 36.4 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | cis | -142.6 | 178.9 | 1.5 | 44.2 | -25.5 | 0 | 0 | 0 | 119.1 | ||||
| 373 | A | 32 | Very low | 36.6 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 71 | 152 | 141.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 374 | E | 31 | Very low | 36.5 | Very low | 185 Ų | 185 | 119.5 Ų | 119.5 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | cis | -169.7 | -178.2 | -30.7 | -110.6 | -129 | 126.8 | 0 | 0 | 110.9 | ||||
| 375 | P | 64.3 | Low | 35.5 | Very low | 97 Ų | 97 | 120 Ų | 120 | 63% | 0.63 | 74% | 0.744 | S | S | * | * | trans | -99 | -164.4 | -163.5 | 43.1 | -38.9 | 0 | 0 | 0 | 115.2 | ||||
| 376 | P | 51 | Low | 35.3 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | -129.4 | 160.8 | 75.9 | 9.9 | 15.2 | 0 | 0 | 0 | 113.7 | |||||
| 377 | A | 33.1 | Very low | 35 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | 69.9 | 150.4 | 55.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 378 | S | 34.2 | Very low | 36 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -166 | -179.7 | 19.2 | 75.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 379 | K | 34.2 | Very low | 35.8 | Very low | 179 Ų | 179 | 124.8 Ų | 124.8 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | cis | -173.7 | 154.5 | -4.9 | -124.4 | 172.2 | -171.8 | 177.7 | 0 | 109.9 | ||||
| 380 | T | 30.7 | Very low | 35.7 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | trans | 47.8 | 144.3 | 147.5 | 53.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 381 | S | 30.3 | Very low | 35.7 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | cis | 71.2 | 149.7 | 41.7 | 73 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 382 | L | 35.1 | Very low | 35.8 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | cis | -162.8 | 163.8 | 44.8 | -84.4 | 166.1 | 0 | 0 | 0 | 115.4 | ||||
| 383 | V | 31.5 | Very low | 34.8 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | trans | 61.3 | 126.5 | 139.1 | 170.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 384 | A | 28.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 74% | 0.74 | S | S | * | * | 159 | 161.7 | 129.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 385 | D | 30.1 | Very low | 35.1 | Very low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | cis | -161.4 | 155.7 | -43.4 | -176.8 | 27.1 | 0 | 0 | 0 | 108.1 | ||||
| 386 | R | 29.7 | Very low | 33.2 | Very low | 222 Ų | 222 | 129.7 Ų | 129.7 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | 79.7 | 155.4 | 164 | -46.2 | -159.3 | 172.3 | -159 | -7.6 | 124.2 | ||||
| 387 | L | 27.1 | Very low | 31.9 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -68.4 | -179 | 173.2 | -71.9 | 159.6 | 0 | 0 | 0 | 114.3 | ||||
| 388 | P | 54.9 | Low | 32.2 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | cis | -135.4 | -164.8 | 7 | 37.2 | -15.2 | 0 | 0 | 0 | 116 | ||||
| 389 | D | 30.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | 71.2 | 165.3 | 154.7 | -64.6 | -26.7 | 0 | 0 | 0 | 121 | ||||
| 390 | T | 31.6 | Very low | 31.7 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | -175.3 | 153.1 | -68.9 | 31.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 391 | I | 33 | Very low | 31.5 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | 86.9 | 146.6 | 155 | -72.3 | 157.9 | 0 | 0 | 0 | 121 | ||||
| 392 | D | 28.4 | Very low | 31.2 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | 63.5 | 118.3 | 177.2 | -64 | -28 | 0 | 0 | 0 | 120.7 | ||||
| 393 | L | 28.8 | Very low | 30.7 | Very low | 129 Ų | 129 | 127 Ų | 127 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | cis | 80.7 | 159.4 | 24.3 | -51.5 | 171.6 | 0 | 0 | 0 | 115.1 | I395 | L393-I395 HydrophobicContact CD2-CD1 3.67Å; L393-I395 HydrophobicContact CD2-CG1 4.22Å | ||
| 394 | P | 44.2 | Very low | 30.4 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | cis | -116.6 | 177.4 | -3.7 | 39.5 | -23.1 | 0 | 0 | 0 | 112.4 | ||||
| 395 | I | 26.1 | Very low | 30.4 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | cis | 67.7 | 141.8 | 35.3 | -45.7 | -174.7 | 0 | 0 | 0 | 110.2 | L393 | L393-I395 HydrophobicContact CD2-CD1 3.67Å; L393-I395 HydrophobicContact CD2-CG1 4.22Å | ||
| 396 | T | 24.1 | Very low | 30.1 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -124.8 | 175.3 | 21 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 397 | G | 24 | Very low | 29.9 | Very low | 63 Ų | 63 | 127.3 Ų | 127.3 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -73 | -157.6 | 164 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 398 | P | 38.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | cis | -129.7 | -163.9 | 39.7 | 37.6 | -16.9 | 0 | 0 | 0 | 112.2 | ||||
| 399 | T | 25.2 | Very low | 28.6 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -152.6 | 157.1 | 8.5 | -30.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 400 | N | 34.1 | Very low | 29.1 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | -144.6 | 93.7 | 153.3 | -151.8 | 10.1 | 0 | 0 | 0 | 110.7 | ||||
| 401 | A | 27 | Very low | 28.8 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | -167.7 | 152.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 402 | G | 23.1 | Very low | 28.6 | Very low | 63 Ų | 63 | 130.2 Ų | 130.2 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | cis | -172.9 | -153 | 1.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 403 | L | 25.3 | Very low | 28.5 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | 74.3 | 99.1 | -168.5 | -50.4 | 173.4 | 0 | 0 | 0 | 111.6 | ||||
| 404 | D | 24.5 | Very low | 28.5 | Very low | 139 Ų | 139 | 131 Ų | 131 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | cis | 72.1 | 144.9 | 28.1 | -160.6 | 23.4 | 0 | 0 | 0 | 115.1 | ||||
| 405 | L | 27.8 | Very low | 27.7 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | 69.7 | 140.4 | 178.4 | -48.9 | 178.4 | 0 | 0 | 0 | 116.5 | ||||
| 406 | S | 25.6 | Very low | 28.3 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -167.3 | 144.5 | -17.1 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 407 | K | 24.8 | Very low | 28.6 | Very low | 200 Ų | 200 | 130.3 Ų | 130.3 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | 22.7 | 120 | 152.4 | -63.8 | 179 | 177.7 | 177.7 | 0 | 119.9 | ||||
| 408 | K | 26.4 | Very low | 28.8 | Very low | 212 Ų | 212 | 134.5 Ų | 134.5 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | trans | -167.8 | 111.2 | 132.2 | -111.8 | 171.5 | -176.3 | 179.1 | 0 | 113.6 | ||||
| 409 | D | 27.1 | Very low | 28.4 | Very low | 159 Ų | 159 | 133 Ų | 133 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -83.6 | 173.8 | 156.1 | -74.2 | -66.1 | 0 | 0 | 0 | 109.8 | ||||
| 410 | P | 42.2 | Very low | 28.6 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | cis | -139.4 | 177.2 | 12.4 | 43.2 | -26.1 | 0 | 0 | 0 | 117.9 | ||||
| 411 | A | 24.6 | Very low | 28.3 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | 71.9 | 151.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 412 | V | 28.3 | Very low | 28.2 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | cis | -128.5 | 152.7 | 14.3 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 413 | S | 27.8 | Very low | 29.4 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -56.8 | 173.4 | 177.6 | 57.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 414 | Q | 28 | Very low | 29.4 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | cis | -149 | 164.9 | 32.9 | -62.2 | 177.5 | -2.8 | 0 | 0 | 115.1 | ||||
| 415 | S | 27.5 | Very low | 29.5 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -144 | 164.2 | 159.5 | 65.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 416 | P | 39.3 | Very low | 29.5 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -149.3 | 174.7 | 106.4 | 39 | -22.7 | 0 | 0 | 0 | 115.7 | |||||
| 417 | T | 29.5 | Very low | 29.6 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -103.1 | 160.3 | 178.2 | 43.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 418 | T | 28.9 | Very low | 29.8 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | trans | -165 | 173.2 | 150 | 4.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 419 | A | 29.7 | Very low | 30 | Very low | 92 Ų | 92 | 145.3 Ų | 145.3 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -139.9 | 169.2 | -156.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 420 | R | 29.5 | Very low | 30.2 | Very low | 242 Ų | 242 | 147 Ų | 147 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | 69.7 | 154.5 | 174.1 | -72.3 | -177.3 | 177.6 | -173.9 | -0.3 | 116 | ||||
| 421 | V | 27.5 | Very low | 29.7 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | cis | -166.1 | 154.3 | -31 | 119.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 422 | F | 25.5 | Very low | 30 | Very low | 199 Ų | 199 | 147.4 Ų | 147.4 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | 69.8 | 167.4 | 172.8 | -82.1 | -47.4 | 0 | 0 | 0 | 117.3 | ||||
| 423 | P | 48.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -116.4 | 176.3 | -138.1 | 44 | -36.7 | 0 | 0 | 0 | 116.6 | ||||
| 424 | Q | 24.8 | Very low | 29.9 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | 148.2 | 158.6 | 138.4 | -157.9 | 177.3 | 15.8 | 0 | 0 | 112.5 | ||||
| 425 | F | 25.5 | Very low | 29.8 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 78.6 | 112.1 | 165 | -78.7 | -74.4 | 0 | 0 | 0 | 123.7 | ||||
| 426 | D | 27.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | 35.1 | 149.1 | 126.8 | -152.4 | 27 | 0 | 0 | 0 | 126 | |||||
| 427 | R | 28.1 | Very low | 29.1 | Very low | 199 Ų | 199 | 149.3 Ų | 149.3 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | trans | 65.2 | 98.1 | 150.9 | -95.1 | 173.1 | -175.8 | 145 | -5.6 | 124.2 | ||||
| 428 | T | 30.1 | Very low | 29 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | 43.4 | 124 | 121.4 | 64.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 429 | K | 29.5 | Very low | 29 | Very low | 211 Ų | 211 | 148.8 Ų | 148.8 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | -170.5 | 159.6 | 95.1 | -101.6 | 176.8 | -178 | -179.9 | 0 | 111.9 | |||||
| 430 | K | 31.8 | Very low | 28.7 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -130.6 | 134.4 | 174.8 | -170.1 | 179.9 | -177.5 | -177.8 | 0 | 108.2 | ||||
| 431 | P | 32.2 | Very low | 28.6 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -75.7 | 168 | 177 | 32.1 | -35 | 0 | 0 | 0 | 111.6 | ||||
| 432 | A | 29.6 | Very low | 28.6 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -131.4 | 147.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 433 | D | 26.4 | Very low | 28.8 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -178.6 | 152.8 | 163.2 | -107.1 | -14.2 | 0 | 0 | 0 | 108.6 | ||||
| 434 | Q | 27.4 | Very low | 28 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | cis | -153.9 | 164.1 | -12 | -150.4 | 168.2 | 83.9 | 0 | 0 | 110.2 | ||||
| 435 | T | 26.1 | Very low | 28.3 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 60% | 0.595 | 78% | 0.781 | S | S | * | * | trans | -13.1 | 158.9 | 165.1 | 61.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 436 | K | 26.2 | Very low | 28.4 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | cis | -170.8 | 174.1 | 44.9 | -137.2 | 143.1 | -162.5 | 167.6 | 0 | 114 | ||||
| 437 | S | 26.4 | Very low | 28.4 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | 68.3 | 147.6 | -178.2 | 75.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 438 | G | 27.1 | Very low | 28.5 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | 128 | 142.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 439 | Q | 28.9 | Very low | 28.3 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | cis | -166.4 | 128.1 | -6 | -173.6 | -177.2 | 30.1 | 0 | 0 | 110 | ||||
| 440 | S | 24 | Very low | 28.3 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -159.4 | 115 | 158.1 | -161.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 441 | R | 27.1 | Very low | 28.4 | Very low | 232 Ų | 232 | 133.8 Ų | 133.8 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | 25.8 | 143 | 135.6 | -62.5 | 177.6 | 178.2 | -174.5 | -2 | 120.2 | ||||
| 442 | S | 27.3 | Very low | 28.3 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | cis | -170.3 | 164.4 | -3.9 | 41.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 443 | A | 30.9 | Very low | 28.8 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -121.1 | 166.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 444 | I | 31.5 | Very low | 29.2 | Very low | 161 Ų | 161 | 137 Ų | 137 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -163 | 133.1 | 150.5 | -102.1 | 153.7 | 0 | 0 | 0 | 110.6 | ||||
| 445 | D | 29.4 | Very low | 29.3 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 35.9 | 137.1 | 158.4 | -61.6 | -36.8 | 0 | 0 | 0 | 127.3 | ||||
| 446 | S | 28.7 | Very low | 29.6 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 112.6 | 115 | 130.5 | 71.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 447 | A | 27.9 | Very low | 29.9 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | 56.4 | 95.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 448 | Q | 29.1 | Very low | 30.2 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | -172.1 | 154.2 | 88.6 | -95.6 | -174.6 | -7 | 0 | 0 | 112 | |||||
| 449 | N | 27.7 | Very low | 30.7 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -81.5 | 139.1 | 177.1 | -60.6 | -46.9 | 0 | 0 | 0 | 110 | ||||
| 450 | G | 29.4 | Very low | 30.9 | Very low | 70 Ų | 70 | 141.1 Ų | 141.1 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | 109.5 | 161.1 | 78.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 451 | P | 32.7 | Very low | 31.9 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | cis | -127.5 | -162.3 | 24 | 42.4 | -26.3 | 0 | 0 | 0 | 114.3 | ||||
| 452 | I | 31.5 | Very low | 32.5 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -118.9 | 145.5 | -170.7 | -70.7 | 173.1 | 0 | 0 | 0 | 112.7 | ||||
| 453 | I | 40.2 | Very low | 32.8 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -18.9 | 144.8 | 158.9 | -30.1 | 171.6 | 0 | 0 | 0 | 115.9 | ||||
| 454 | P | 33.6 | Very low | 33.3 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | -135 | 144.1 | 119.9 | 37.2 | -28.6 | 0 | 0 | 0 | 115 | |||||
| 455 | D | 29.5 | Very low | 33.8 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -88.7 | 136.2 | 161.5 | 161.8 | 48.2 | 0 | 0 | 0 | 109.5 | ||||
| 456 | R | 33.2 | Very low | 34 | Very low | 232 Ų | 232 | 132.7 Ų | 132.7 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -176.3 | 152.6 | 132.7 | -104 | 165.3 | -176.8 | -161.7 | -0.9 | 115.2 | ||||
| 457 | S | 32.9 | Very low | 35 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -78.7 | 130.6 | 171.3 | 178 | 0 | 0 | 0 | 0 | 113 | ||||
| 458 | A | 31.4 | Very low | 36.2 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -160.8 | 135.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 459 | K | 37.8 | Very low | 37.7 | Very low | 207 Ų | 207 | 128.8 Ų | 128.8 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | trans | -88.6 | 140.7 | 169.2 | -94.5 | -175.7 | 174.1 | 179.4 | 0 | 110.5 | ||||
| 460 | P | 32.3 | Very low | 39.2 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | -122 | 168.9 | 122.3 | -1.2 | 22.3 | 0 | 0 | 0 | 112.6 | |||||
| 461 | P | 45.2 | Very low | 40.5 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -105.2 | 156.4 | -173.9 | 38.6 | -33.2 | 0 | 0 | 0 | 115.7 | ||||
| 462 | L | 41.3 | Very low | 41.7 | Very low | 171 Ų | 171 | 129 Ų | 129 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | 49.9 | 116.6 | 150.5 | -63.8 | 162.1 | 0 | 0 | 0 | 118.1 | ||||
| 463 | S | 31.7 | Very low | 43 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | -171.6 | 149.6 | 77.4 | 55.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 464 | S | 42.2 | Very low | 44.1 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | 18.6 | 128.9 | 152.5 | 58.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 465 | G | 41.9 | Very low | 45.4 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 92% | 0.918 | 74% | 0.742 | S | S | * | * | 118.5 | 114.9 | 121.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 466 | G | 34.7 | Very low | 46.9 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | trans | 167.7 | 141.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 467 | S | 49.1 | Very low | 48.3 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | -124.7 | 139.9 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 468 | L | 53.8 | Low | 50 | Low | 144 Ų | 144 | 120.7 Ų | 120.7 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | trans | -80 | 169.3 | 171.8 | -67.9 | 172.3 | 0 | 0 | 0 | 111.8 | ||||
| 469 | S | 60 | Low | 51.7 | Low | 56 Ų | 56 | 122.2 Ų | 122.2 | 39% | 0.392 | 70% | 0.698 | S | S | . | * | trans | -96 | 170 | -166.4 | 77.2 | 0 | 0 | 0 | 0 | 113.9 | E472 | S469-E472 PolarHBondContact N-OE2 3.33Å; S469-E472 VanDerWaalsContact N-OE2 3.08Å; S469-E472 PolarHBondContact OG-OE2 3.48Å | ||
| 470 | K | 58.6 | Low | 53.1 | Low | 165 Ų | 165 | 114.7 Ų | 114.7 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.6 | -28.6 | -177.8 | -76.8 | -175.6 | 175 | 178.8 | 0 | 114 | Q473 Q474 | K470-Q473 WeakPolarHBondContact O-CB 3.42Å; K470-Q473 PolarHBondContact O-N 2.89Å; K470-Q474 PolarHBondContact O-N 3.42Å |
| 471 | D | 57.5 | Low | 55.1 | Low | 118 Ų | 118 | 112.1 Ų | 112.1 | 63% | 0.631 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.3 | -35.8 | -169.2 | -55.6 | -26.4 | 0 | 0 | 0 | 110.7 | Q473 Q474 Q475 | D471-Q473 PolarHBondContact O-N 3.36Å; D471-Q474 PolarHBondContact O-N 2.66Å; D471-Q474 VanDerWaalsContact O-N 3.14Å; D471-Q475 PolarHBondContact O-N 3.44Å |
| 472 | E | 58.2 | Low | 56.6 | Low | 95 Ų | 95 | 109.9 Ų | 109.9 | 44% | 0.444 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -55.6 | -36.5 | 169.9 | -64 | 167.9 | 103.7 | 0 | 0 | 112.1 | S469 I476 | S469-E472 PolarHBondContact N-OE2 3.33Å; S469-E472 VanDerWaalsContact N-OE2 3.08Å; S469-E472 PolarHBondContact OG-OE2 3.48Å; E472-I476 WeakPolarHBondContact O-CD1 3.3Å; E472-I476 WeakPolarHBondContact O-CG1 3.31Å |
| 473 | Q | 57.8 | Low | 58.1 | Low | 139 Ų | 139 | 106.7 Ų | 106.7 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.2 | -31.4 | 179.2 | -63.9 | -173.9 | -21.3 | 0 | 0 | 113.1 | K470 D471 H477 | K470-Q473 WeakPolarHBondContact O-CB 3.42Å; K470-Q473 PolarHBondContact O-N 2.89Å; D471-Q473 PolarHBondContact O-N 3.36Å; Q473-H477 PolarHBondContact O-N 2.88Å |
| 474 | Q | 62.5 | Low | 60 | Low | 143 Ų | 143 | 107.7 Ų | 107.7 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.3 | -40.1 | 179.1 | -67.5 | -166.9 | -1.3 | 0 | 0 | 112 | K470 D471 H477 S478 | K470-Q474 PolarHBondContact O-N 3.42Å; D471-Q474 PolarHBondContact O-N 2.66Å; D471-Q474 VanDerWaalsContact O-N 3.14Å; Q474-H477 PolarHBondContact O-N 2.92Å; Q474-S478 PolarHBondContact O-N 2.92Å; Q474-S478 VanDerWaalsContact O-N 3.14Å |
| 475 | Q | 61.3 | Low | 61.7 | Low | 135 Ų | 135 | 107.4 Ų | 107.4 | 63% | 0.631 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66 | -45.1 | -178.1 | -167.2 | 157 | -11.8 | 0 | 0 | 111.7 | D471 H477 S478 E479 | D471-Q475 PolarHBondContact O-N 3.44Å; Q475-H477 VanDerWaalsContact C-N 3.29Å; Q475-H477 PolarHBondContact O-N 3.4Å; Q475-S478 PolarHBondContact O-N 2.76Å; Q475-S478 PolarHBondContact O-OG 3.01Å; Q475-E479 PolarHBondContact O-N 2.87Å |
| 476 | I | 61.9 | Low | 63.4 | Low | 120 Ų | 120 | 110.7 Ų | 110.7 | 62% | 0.615 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -57.3 | -40.2 | 175.3 | -65.1 | 168.2 | 0 | 0 | 0 | 111.8 | E472 S478 A480 | E472-I476 WeakPolarHBondContact O-CD1 3.3Å; E472-I476 WeakPolarHBondContact O-CG1 3.31Å; I476-S478 VanDerWaalsContact C-N 3.33Å; I476-S478 PolarHBondContact O-N 3.4Å; I476-A480 WeakPolarHBondContact O-CB 3.33Å; I476-A480 PolarHBondContact O-N 2.85Å |
| 477 | H | 63.2 | Low | 65.4 | Low | 133 Ų | 133 | 109.3 Ų | 109.3 | 62% | 0.616 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.1 | -33.8 | 177.8 | -168.9 | -74.9 | 0 | 0 | 0 | 112.4 | Q473 Q474 Q475 V481 | Q473-H477 PolarHBondContact O-N 2.88Å; Q474-H477 PolarHBondContact O-N 2.92Å; Q475-H477 VanDerWaalsContact C-N 3.29Å; Q475-H477 PolarHBondContact O-N 3.4Å; H477-V481 WeakPolarHBondContact O-CG2 3.39Å; H477-V481 PolarHBondContact O-N 3.47Å |
| 478 | S | 66.9 | Low | 66.8 | Low | 69 Ų | 69 | 109.9 Ų | 109.9 | 48% | 0.483 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.8 | -42.8 | 179.4 | 74.8 | 0 | 0 | 0 | 0 | 112.7 | Q474 Q475 I476 V481 A482 | Q474-S478 PolarHBondContact O-N 2.92Å; Q474-S478 VanDerWaalsContact O-N 3.14Å; Q475-S478 PolarHBondContact O-N 2.76Å; Q475-S478 PolarHBondContact O-OG 3.01Å; I476-S478 VanDerWaalsContact C-N 3.33Å; I476-S478 PolarHBondContact O-N 3.4Å; S478-V481 PolarHBondContact O-N 2.97Å; S478-A482 PolarHBondContact O-N 3.21Å |
| 479 | E | 68.6 | Low | 67.8 | Low | 124 Ų | 124 | 109.1 Ų | 109.1 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.1 | -39.7 | 178.3 | -65 | -172.7 | 132.2 | 0 | 0 | 111.8 | Q475 V481 A482 V483 | Q475-E479 PolarHBondContact O-N 2.87Å; E479-V481 VanDerWaalsContact C-N 3.31Å; E479-V481 PolarHBondContact O-N 3.17Å; E479-A482 PolarHBondContact O-N 3.49Å; E479-V483 WeakPolarHBondContact O-CG2 3.4Å; E479-V483 PolarHBondContact O-N 3.35Å |
| 480 | A | 66.1 | Low | 68.7 | Low | 49 Ų | 49 | 111.1 Ų | 111.1 | 41% | 0.405 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.6 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | I476 M484 | I476-A480 WeakPolarHBondContact O-CB 3.33Å; I476-A480 PolarHBondContact O-N 2.85Å; A480-M484 WeakPolarHBondContact O-CG 3.39Å; A480-M484 PolarHBondContact O-N 2.94Å; A480-M484 VanDerWaalsContact O-N 3.13Å |
| 481 | V | 74.8 | Confident | 69.6 | Low | 65 Ų | 65 | 108.8 Ų | 108.8 | 39% | 0.394 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.9 | -45.9 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | H477 S478 E479 V483 M484 E485 | H477-V481 WeakPolarHBondContact O-CG2 3.39Å; H477-V481 PolarHBondContact O-N 3.47Å; S478-V481 PolarHBondContact O-N 2.97Å; E479-V481 VanDerWaalsContact C-N 3.31Å; E479-V481 PolarHBondContact O-N 3.17Å; V481-V483 VanDerWaalsContact C-N 3.31Å; V481-V483 PolarHBondContact O-N 2.84Å; V481-M484 PolarHBondContact O-N 3.17Å; V481-E485 PolarHBondContact O-N 3.04Å |
| 482 | A | 76 | Confident | 70.6 | Confident | 62 Ų | 62 | 109 Ų | 109 | 51% | 0.512 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.4 | -38.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S478 E479 K486 | S478-A482 PolarHBondContact O-N 3.21Å; E479-A482 PolarHBondContact O-N 3.49Å; A482-K486 WeakPolarHBondContact O-CB 3.34Å; A482-K486 PolarHBondContact O-N 3.07Å; A482-K486 VanDerWaalsContact O-N 3.13Å |
| 483 | V | 73.7 | Confident | 71.6 | Confident | 103 Ų | 103 | 110.4 Ų | 110.4 | 62% | 0.624 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.3 | -43.2 | 175 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | E479 V481 A487 | E479-V483 WeakPolarHBondContact O-CG2 3.4Å; E479-V483 PolarHBondContact O-N 3.35Å; V481-V483 VanDerWaalsContact C-N 3.31Å; V481-V483 PolarHBondContact O-N 2.84Å; V483-A487 WeakPolarHBondContact O-CB 3.5Å; V483-A487 PolarHBondContact O-N 2.84Å |
| 484 | M | 71.2 | Confident | 72.5 | Confident | 129 Ų | 129 | 110.2 Ų | 110.2 | 64% | 0.635 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.6 | -40.5 | 177.3 | -77.4 | -166.2 | -68.4 | 0 | 0 | 113 | A480 V481 A487 K488 | A480-M484 WeakPolarHBondContact O-CG 3.39Å; A480-M484 PolarHBondContact O-N 2.94Å; A480-M484 VanDerWaalsContact O-N 3.13Å; V481-M484 PolarHBondContact O-N 3.17Å; M484-A487 PolarHBondContact O-N 3.27Å; M484-K488 WeakPolarHBondContact O-CB 3.44Å; M484-K488 PolarHBondContact O-N 3.07Å |
| 485 | E | 78.4 | Confident | 73.1 | Confident | 111 Ų | 111 | 106.6 Ų | 106.6 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.8 | -39.7 | 179.5 | -173.3 | 142.6 | -134.6 | 0 | 0 | 112 | V481 K488 Q489 | V481-E485 PolarHBondContact O-N 3.04Å; E485-K488 WeakPolarHBondContact O-CB 3.38Å; E485-K488 PolarHBondContact O-N 3.02Å; E485-Q489 PolarHBondContact O-N 2.81Å; E485-Q489 VanDerWaalsContact O-N 3.09Å |
| 486 | K | 77.8 | Confident | 73.9 | Confident | 158 Ų | 158 | 106.6 Ų | 106.6 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 172.3 | -170.6 | 176.4 | -178 | -179.9 | 0 | 112.1 | A482 K488 Q489 E490 | A482-K486 WeakPolarHBondContact O-CB 3.34Å; A482-K486 PolarHBondContact O-N 3.07Å; A482-K486 VanDerWaalsContact O-N 3.13Å; K486-K488 VanDerWaalsContact C-N 3.32Å; K486-K488 PolarHBondContact O-N 2.99Å; K486-Q489 PolarHBondContact O-N 3.42Å; K486-E490 PolarHBondContact O-N 2.84Å; K486-E490 VanDerWaalsContact O-N 3.12Å |
| 487 | A | 76.2 | Confident | 74.7 | Confident | 56 Ų | 56 | 105.5 Ų | 105.5 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -37 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V483 M484 E490 Q491 | V483-A487 WeakPolarHBondContact O-CB 3.5Å; V483-A487 PolarHBondContact O-N 2.84Å; M484-A487 PolarHBondContact O-N 3.27Å; A487-E490 PolarHBondContact O-N 3.1Å; A487-Q491 WeakPolarHBondContact O-CB 3.36Å; A487-Q491 PolarHBondContact O-N 3.3Å |
| 488 | K | 78.1 | Confident | 75.4 | Confident | 133 Ų | 133 | 105.5 Ų | 105.5 | 58% | 0.578 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -44.9 | 175.6 | -175 | -173.8 | 171.9 | -164.8 | 0 | 112 | M484 E485 K486 E490 Q491 E492 | M484-K488 WeakPolarHBondContact O-CB 3.44Å; M484-K488 PolarHBondContact O-N 3.07Å; E485-K488 WeakPolarHBondContact O-CB 3.38Å; E485-K488 PolarHBondContact O-N 3.02Å; K486-K488 VanDerWaalsContact C-N 3.32Å; K486-K488 PolarHBondContact O-N 2.99Å; K488-E490 PolarHBondContact O-N 3.03Å; K488-Q491 PolarHBondContact O-N 2.63Å; K488-E492 WeakPolarHBondContact O-CB 3.34Å; K488-E492 PolarHBondContact O-N 2.89Å |
| 489 | Q | 75.6 | Confident | 76 | Confident | 129 Ų | 129 | 111 Ų | 111 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -39.4 | 177.3 | -69.1 | 179.2 | 4.8 | 0 | 0 | 112.1 | E485 K486 E492 K493 | E485-Q489 PolarHBondContact O-N 2.81Å; E485-Q489 VanDerWaalsContact O-N 3.09Å; K486-Q489 PolarHBondContact O-N 3.42Å; Q489-E492 PolarHBondContact O-N 2.6Å; Q489-K493 PolarHBondContact O-N 2.74Å |
| 490 | E | 79.3 | Confident | 76.5 | Confident | 97 Ų | 97 | 110.4 Ų | 110.4 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 175.6 | -165.8 | -178.8 | 157.5 | 0 | 0 | 112.3 | K486 A487 K488 E492 K493 R494 | K486-E490 PolarHBondContact O-N 2.84Å; K486-E490 VanDerWaalsContact O-N 3.12Å; A487-E490 PolarHBondContact O-N 3.1Å; K488-E490 PolarHBondContact O-N 3.03Å; E490-E492 VanDerWaalsContact C-N 3.31Å; E490-E492 PolarHBondContact O-N 2.94Å; E490-K493 PolarHBondContact O-N 2.88Å; E490-R494 WeakPolarHBondContact O-CB 3.32Å; E490-R494 WeakPolarHBondContact O-CG 3.31Å; E490-R494 PolarHBondContact O-N 3.49Å; E490-R494 IonicContact OE1-CZ 3.71Å; E490-R494 VanDerWaalsContact OE1-CZ 3.23Å; E490-R494 IonicContact OE1-NE 2.79Å; E490-R494 PolarHBondContact OE1-NE 2.81Å; E490-R494 VanDerWaalsContact OE1-NE 3.11Å; E490-R494 IonicContact OE1-NH2 2.69Å; E490-R494 PolarHBondContact OE1-NH2 2.87Å |
| 491 | Q | 76.6 | Confident | 77.1 | Confident | 117 Ų | 117 | 111.9 Ų | 111.9 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 175 | -173.1 | 77.6 | -21 | 0 | 0 | 112 | A487 K488 N495 | A487-Q491 WeakPolarHBondContact O-CB 3.36Å; A487-Q491 PolarHBondContact O-N 3.3Å; K488-Q491 PolarHBondContact O-N 2.63Å; Q491-N495 VanDerWaalsContact O-CG 3.31Å; Q491-N495 PolarHBondContact O-N 2.86Å; Q491-N495 PolarHBondContact O-ND2 3.3Å |
| 492 | E | 77.7 | Confident | 77.3 | Confident | 122 Ų | 122 | 114.1 Ų | 114.1 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.6 | -43.6 | 179.4 | -166.5 | 150.8 | -136.7 | 0 | 0 | 111.7 | K488 Q489 E490 N495 Q496 | K488-E492 WeakPolarHBondContact O-CB 3.34Å; K488-E492 PolarHBondContact O-N 2.89Å; Q489-E492 PolarHBondContact O-N 2.6Å; E490-E492 VanDerWaalsContact C-N 3.31Å; E490-E492 PolarHBondContact O-N 2.94Å; E492-N495 PolarHBondContact O-N 2.9Å; E492-N495 VanDerWaalsContact O-N 3.15Å; E492-Q496 PolarHBondContact O-N 3.45Å; E492-Q496 VanDerWaalsContact O-N 3.07Å |
| 493 | K | 79.5 | Confident | 77.4 | Confident | 124 Ų | 124 | 117.6 Ų | 117.6 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 173.5 | -168.6 | -177.3 | -173.5 | -103.1 | 0 | 112.3 | Q489 E490 N495 Q496 E497 | Q489-K493 PolarHBondContact O-N 2.74Å; E490-K493 PolarHBondContact O-N 2.88Å; K493-N495 PolarHBondContact O-N 3.13Å; K493-Q496 PolarHBondContact O-N 2.94Å; K493-Q496 VanDerWaalsContact O-N 3.09Å; K493-E497 WeakPolarHBondContact CE-OE1 3.26Å; K493-E497 IonicContact NZ-OE1 2.65Å; K493-E497 PolarHBondContact NZ-OE1 3.04Å; K493-E497 PolarHBondContact O-N 3.49Å |
| 494 | R | 77.6 | Confident | 77.6 | Confident | 135 Ų | 135 | 118 Ų | 118 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.7 | -28.3 | 176.5 | -74.2 | 177.8 | -177.8 | -152.8 | 2.6 | 112.5 | E490 R498 | E490-R494 WeakPolarHBondContact O-CB 3.32Å; E490-R494 WeakPolarHBondContact O-CG 3.31Å; E490-R494 PolarHBondContact O-N 3.49Å; E490-R494 IonicContact OE1-CZ 3.71Å; E490-R494 VanDerWaalsContact OE1-CZ 3.23Å; E490-R494 IonicContact OE1-NE 2.79Å; E490-R494 PolarHBondContact OE1-NE 2.81Å; E490-R494 VanDerWaalsContact OE1-NE 3.11Å; E490-R494 IonicContact OE1-NH2 2.69Å; E490-R494 PolarHBondContact OE1-NH2 2.87Å; R494-R498 WeakPolarHBondContact O-CB 3.33Å; R494-R498 PolarHBondContact O-N 3.09Å |
| 495 | N | 75.2 | Confident | 77.9 | Confident | 67 Ų | 67 | 119.5 Ų | 119.5 | 36% | 0.358 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -83 | -28.1 | 177 | -74.8 | -21.7 | 0 | 0 | 0 | 113.6 | Q491 E492 K493 R498 R499 | Q491-N495 VanDerWaalsContact O-CG 3.31Å; Q491-N495 PolarHBondContact O-N 2.86Å; Q491-N495 PolarHBondContact O-ND2 3.3Å; E492-N495 PolarHBondContact O-N 2.9Å; E492-N495 VanDerWaalsContact O-N 3.15Å; K493-N495 PolarHBondContact O-N 3.13Å; N495-R498 PolarHBondContact OD1-NE 3.32Å; N495-R498 PolarHBondContact OD1-NH2 3.13Å; N495-R499 WeakPolarHBondContact O-CG 3.17Å; N495-R499 PolarHBondContact O-N 2.92Å |
| 496 | Q | 77.4 | Confident | 77.9 | Confident | 136 Ų | 136 | 119.9 Ų | 119.9 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68 | -46.4 | 167 | -80.7 | -174.5 | -34.2 | 0 | 0 | 111.5 | E492 K493 R498 R499 L500 | E492-Q496 PolarHBondContact O-N 3.45Å; E492-Q496 VanDerWaalsContact O-N 3.07Å; K493-Q496 PolarHBondContact O-N 2.94Å; K493-Q496 VanDerWaalsContact O-N 3.09Å; Q496-R498 VanDerWaalsContact C-N 3.3Å; Q496-R498 PolarHBondContact O-N 3.2Å; Q496-R499 PolarHBondContact O-N 3.03Å; Q496-L500 PolarHBondContact O-N 3.25Å |
| 497 | E | 79.8 | Confident | 78 | Confident | 97 Ų | 97 | 119.2 Ų | 119.2 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 177.5 | -70.5 | 168.2 | 173.9 | 0 | 0 | 111.4 | K493 R499 L500 E501 | K493-E497 WeakPolarHBondContact CE-OE1 3.26Å; K493-E497 IonicContact NZ-OE1 2.65Å; K493-E497 PolarHBondContact NZ-OE1 3.04Å; K493-E497 PolarHBondContact O-N 3.49Å; E497-R499 PolarHBondContact O-N 3.28Å; E497-L500 PolarHBondContact O-N 2.83Å; E497-E501 PolarHBondContact O-N 2.69Å; E497-E501 VanDerWaalsContact O-N 3.14Å |
| 498 | R | 78.1 | Confident | 78 | Confident | 133 Ų | 133 | 121.3 Ų | 121.3 | 50% | 0.502 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.4 | -146.2 | -170.1 | -45.3 | -89.1 | -0.5 | 113.3 | R494 N495 Q496 E501 E502 | R494-R498 WeakPolarHBondContact O-CB 3.33Å; R494-R498 PolarHBondContact O-N 3.09Å; N495-R498 PolarHBondContact OD1-NE 3.32Å; N495-R498 PolarHBondContact OD1-NH2 3.13Å; Q496-R498 VanDerWaalsContact C-N 3.3Å; Q496-R498 PolarHBondContact O-N 3.2Å; R498-E501 PolarHBondContact O-N 2.84Å; R498-E502 WeakPolarHBondContact O-CG 3.43Å; R498-E502 PolarHBondContact O-N 3.42Å |
| 499 | R | 78.1 | Confident | 77.9 | Confident | 183 Ų | 183 | 120.5 Ų | 120.5 | 69% | 0.691 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.2 | -38.1 | 179.9 | -76.3 | -179.5 | 174 | -168.3 | -1.3 | 112.7 | N495 Q496 E497 E501 E502 E503 | N495-R499 WeakPolarHBondContact O-CG 3.17Å; N495-R499 PolarHBondContact O-N 2.92Å; Q496-R499 PolarHBondContact O-N 3.03Å; E497-R499 PolarHBondContact O-N 3.28Å; R499-E501 VanDerWaalsContact C-N 3.32Å; R499-E502 PolarHBondContact O-N 3.28Å; R499-E503 PolarHBondContact O-N 2.9Å |
| 500 | L | 79.5 | Confident | 78 | Confident | 113 Ų | 113 | 120.1 Ų | 120.1 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -34.4 | 175.9 | -67.8 | 168.9 | 0 | 0 | 0 | 111.8 | Q496 E497 R504 | Q496-L500 PolarHBondContact O-N 3.25Å; E497-L500 PolarHBondContact O-N 2.83Å; L500-R504 WeakPolarHBondContact O-CB 3.27Å; L500-R504 PolarHBondContact O-N 2.83Å; L500-R504 VanDerWaalsContact O-N 3.1Å |
| 501 | E | 79.6 | Confident | 78 | Confident | 79 Ų | 79 | 121.6 Ų | 121.6 | 37% | 0.369 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 172.7 | -167.2 | 67 | -156.9 | 0 | 0 | 111.9 | E497 R498 R499 R504 R505 | E497-E501 PolarHBondContact O-N 2.69Å; E497-E501 VanDerWaalsContact O-N 3.14Å; R498-E501 PolarHBondContact O-N 2.84Å; R499-E501 VanDerWaalsContact C-N 3.32Å; E501-R504 IonicContact OE1-CZ 3.86Å; E501-R504 IonicContact OE1-NH1 3.21Å; E501-R504 PolarHBondContact OE1-NH1 2.8Å; E501-R504 IonicContact OE1-NH2 3.33Å; E501-R504 PolarHBondContact OE1-NH2 3.31Å; E501-R504 IonicContact OE2-CZ 3.32Å; E501-R504 IonicContact OE2-NH1 2.78Å; E501-R504 PolarHBondContact OE2-NH1 3.12Å; E501-R504 IonicContact OE2-NH2 2.68Å; E501-R505 WeakPolarHBondContact O-CG 3.44Å; E501-R505 PolarHBondContact O-N 2.96Å; E501-R505 VanDerWaalsContact O-N 3.08Å |
| 502 | E | 77.8 | Confident | 78.2 | Confident | 112 Ų | 112 | 124.1 Ų | 124.1 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 174.2 | -73.8 | 172.4 | 151.3 | 0 | 0 | 112.3 | R498 R499 R504 R505 E506 | R498-E502 WeakPolarHBondContact O-CG 3.43Å; R498-E502 PolarHBondContact O-N 3.42Å; R499-E502 PolarHBondContact O-N 3.28Å; E502-R504 VanDerWaalsContact C-N 3.31Å; E502-R504 PolarHBondContact O-N 3.21Å; E502-R505 PolarHBondContact O-N 2.79Å; E502-E506 PolarHBondContact O-N 2.93Å |
| 503 | E | 78.2 | Confident | 78.1 | Confident | 135 Ų | 135 | 123.5 Ų | 123.5 | 63% | 0.631 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61 | -37.6 | 175.4 | -76.9 | -169.5 | 139.8 | 0 | 0 | 112.4 | R499 K507 | R499-E503 PolarHBondContact O-N 2.9Å; E503-K507 PolarHBondContact O-N 3.11Å |
| 504 | R | 78.9 | Confident | 78.1 | Confident | 112 Ų | 112 | 122.4 Ų | 122.4 | 42% | 0.423 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 176.3 | -155.5 | -175.7 | 72.1 | -110.2 | -8.7 | 111.4 | L500 E501 E502 K507 E508 | L500-R504 WeakPolarHBondContact O-CB 3.27Å; L500-R504 PolarHBondContact O-N 2.83Å; L500-R504 VanDerWaalsContact O-N 3.1Å; E501-R504 IonicContact OE1-CZ 3.86Å; E501-R504 IonicContact OE1-NH1 3.21Å; E501-R504 PolarHBondContact OE1-NH1 2.8Å; E501-R504 IonicContact OE1-NH2 3.33Å; E501-R504 PolarHBondContact OE1-NH2 3.31Å; E501-R504 IonicContact OE2-CZ 3.32Å; E501-R504 IonicContact OE2-NH1 2.78Å; E501-R504 PolarHBondContact OE2-NH1 3.12Å; E501-R504 IonicContact OE2-NH2 2.68Å; E502-R504 VanDerWaalsContact C-N 3.31Å; E502-R504 PolarHBondContact O-N 3.21Å; R504-K507 WeakPolarHBondContact O-CB 3.43Å; R504-K507 PolarHBondContact O-N 2.79Å; R504-K507 VanDerWaalsContact O-N 3.16Å; R504-E508 WeakPolarHBondContact CG-OE1 3.2Å; R504-E508 IonicContact CZ-OE1 2.77Å; R504-E508 IonicContact NE-OE1 3.98Å; R504-E508 PolarHBondContact NE-OE1 3.06Å; R504-E508 IonicContact NH2-OE1 3.05Å; R504-E508 WeakPolarHBondContact O-CG 3.42Å; R504-E508 PolarHBondContact O-N 3.16Å |
| 505 | R | 77.3 | Confident | 78.1 | Confident | 161 Ų | 161 | 118.3 Ų | 118.3 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 176.4 | -77 | 174.1 | 169.9 | -142.4 | -5.9 | 113.2 | E501 E502 K507 E508 Q509 | E501-R505 WeakPolarHBondContact O-CG 3.44Å; E501-R505 PolarHBondContact O-N 2.96Å; E501-R505 VanDerWaalsContact O-N 3.08Å; E502-R505 PolarHBondContact O-N 2.79Å; R505-K507 PolarHBondContact O-N 2.72Å; R505-E508 PolarHBondContact O-N 3.41Å; R505-Q509 WeakPolarHBondContact O-CB 3.36Å; R505-Q509 PolarHBondContact O-N 2.9Å |
| 506 | E | 78.9 | Confident | 78.2 | Confident | 118 Ų | 118 | 119.1 Ų | 119.1 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.8 | -34.5 | 174.1 | -87.3 | -153.8 | -160.6 | 0 | 0 | 112.5 | E502 K510 | E502-E506 PolarHBondContact O-N 2.93Å; E506-K510 WeakPolarHBondContact O-CD 3.38Å; E506-K510 WeakPolarHBondContact O-CG 3.36Å; E506-K510 PolarHBondContact O-N 3.26Å; E506-K510 VanDerWaalsContact O-N 3.1Å; E506-K510 IonicContact OE2-NZ 3.33Å; E506-K510 PolarHBondContact OE2-NZ 2.88Å |
| 507 | K | 78.8 | Confident | 78.3 | Confident | 144 Ų | 144 | 118.7 Ų | 118.7 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73.7 | -48.2 | -179.8 | -147.1 | 174.2 | -174.2 | -179 | 0 | 111.5 | E503 R504 R505 Q509 K510 E511 | E503-K507 PolarHBondContact O-N 3.11Å; R504-K507 WeakPolarHBondContact O-CB 3.43Å; R504-K507 PolarHBondContact O-N 2.79Å; R504-K507 VanDerWaalsContact O-N 3.16Å; R505-K507 PolarHBondContact O-N 2.72Å; K507-Q509 VanDerWaalsContact C-N 3.27Å; K507-Q509 PolarHBondContact O-N 2.9Å; K507-K510 PolarHBondContact O-N 2.88Å; K507-E511 PolarHBondContact O-N 2.87Å |
| 508 | E | 76.9 | Confident | 78.3 | Confident | 100 Ų | 100 | 121.7 Ų | 121.7 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.6 | -39.6 | 173.1 | -70.5 | 168.4 | -161.7 | 0 | 0 | 111.5 | R504 R505 R512 | R504-E508 WeakPolarHBondContact CG-OE1 3.2Å; R504-E508 IonicContact CZ-OE1 2.77Å; R504-E508 IonicContact NE-OE1 3.98Å; R504-E508 PolarHBondContact NE-OE1 3.06Å; R504-E508 IonicContact NH2-OE1 3.05Å; R504-E508 WeakPolarHBondContact O-CG 3.42Å; R504-E508 PolarHBondContact O-N 3.16Å; R505-E508 PolarHBondContact O-N 3.41Å; E508-R512 WeakPolarHBondContact O-CB 3.3Å; E508-R512 PolarHBondContact O-N 3.48Å; E508-R512 VanDerWaalsContact O-N 3.13Å |
| 509 | Q | 75.8 | Confident | 78.4 | Confident | 116 Ų | 116 | 122 Ų | 122 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 176.2 | -177.6 | 172.9 | -22.7 | 0 | 0 | 112.7 | R505 K507 E511 R512 E513 | R505-Q509 WeakPolarHBondContact O-CB 3.36Å; R505-Q509 PolarHBondContact O-N 2.9Å; K507-Q509 VanDerWaalsContact C-N 3.27Å; K507-Q509 PolarHBondContact O-N 2.9Å; Q509-E511 PolarHBondContact O-N 3.28Å; Q509-R512 WeakPolarHBondContact O-CB 3.42Å; Q509-R512 PolarHBondContact O-N 3.02Å; Q509-E513 HydrophobicContact CG-CG 4.44Å; Q509-E513 WeakPolarHBondContact CG-OE1 3.42Å; Q509-E513 PolarHBondContact NE2-OE1 2.75Å; Q509-E513 WeakPolarHBondContact O-CG 3.43Å; Q509-E513 PolarHBondContact O-N 3.41Å |
| 510 | K | 77.4 | Confident | 78.2 | Confident | 121 Ų | 121 | 119.7 Ų | 119.7 | 53% | 0.526 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 179.2 | -75.8 | 164 | -171.3 | 153.4 | 0 | 112.3 | E506 K507 R512 E513 E514 | E506-K510 WeakPolarHBondContact O-CD 3.38Å; E506-K510 WeakPolarHBondContact O-CG 3.36Å; E506-K510 PolarHBondContact O-N 3.26Å; E506-K510 VanDerWaalsContact O-N 3.1Å; E506-K510 IonicContact OE2-NZ 3.33Å; E506-K510 PolarHBondContact OE2-NZ 2.88Å; K507-K510 PolarHBondContact O-N 2.88Å; K510-R512 VanDerWaalsContact C-N 3.32Å; K510-R512 PolarHBondContact O-N 3.35Å; K510-E513 PolarHBondContact O-N 3.38Å; K510-E514 PolarHBondContact O-N 3.44Å |
| 511 | E | 79.3 | Confident | 78.2 | Confident | 129 Ų | 129 | 118.7 Ų | 118.7 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -38.4 | 174.6 | -71.9 | -179 | -178.1 | 0 | 0 | 111.8 | K507 Q509 S515 | K507-E511 PolarHBondContact O-N 2.87Å; Q509-E511 PolarHBondContact O-N 3.28Å; E511-S515 WeakPolarHBondContact O-CB 3.33Å; E511-S515 PolarHBondContact O-N 3.3Å |
| 512 | R | 79.6 | Confident | 78.2 | Confident | 169 Ų | 169 | 121.2 Ų | 121.2 | 64% | 0.638 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.9 | -48.6 | 175.3 | -173.9 | 176.7 | 176.9 | 167.1 | 2.4 | 112.2 | E508 Q509 K510 E514 S515 E516 | E508-R512 WeakPolarHBondContact O-CB 3.3Å; E508-R512 PolarHBondContact O-N 3.48Å; E508-R512 VanDerWaalsContact O-N 3.13Å; Q509-R512 WeakPolarHBondContact O-CB 3.42Å; Q509-R512 PolarHBondContact O-N 3.02Å; K510-R512 VanDerWaalsContact C-N 3.32Å; K510-R512 PolarHBondContact O-N 3.35Å; R512-E514 VanDerWaalsContact C-N 3.31Å; R512-E514 PolarHBondContact O-N 2.91Å; R512-S515 WeakPolarHBondContact O-CB 3.38Å; R512-S515 PolarHBondContact O-N 3.05Å; R512-S515 VanDerWaalsContact O-N 3.13Å; R512-S515 PolarHBondContact O-OG 3.1Å; R512-E516 IonicContact NE-OE1 3.51Å; R512-E516 PolarHBondContact NE-OE1 2.95Å; R512-E516 IonicContact NH2-OE1 2.72Å; R512-E516 PolarHBondContact O-N 2.9Å |
| 513 | E | 76.1 | Confident | 78.1 | Confident | 110 Ų | 110 | 122.5 Ų | 122.5 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 177.4 | -74.2 | 175.5 | -164.1 | 0 | 0 | 111.8 | Q509 K510 E516 K517 | Q509-E513 HydrophobicContact CG-CG 4.44Å; Q509-E513 WeakPolarHBondContact CG-OE1 3.42Å; Q509-E513 PolarHBondContact NE2-OE1 2.75Å; Q509-E513 WeakPolarHBondContact O-CG 3.43Å; Q509-E513 PolarHBondContact O-N 3.41Å; K510-E513 PolarHBondContact O-N 3.38Å; E513-E516 PolarHBondContact O-N 3.38Å; E513-K517 PolarHBondContact O-N 2.83Å |
| 514 | E | 79.5 | Confident | 78.1 | Confident | 100 Ų | 100 | 121.7 Ų | 121.7 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 175.5 | -151.7 | -166.3 | 139.9 | 0 | 0 | 112.1 | K510 R512 E516 K517 R518 | K510-E514 PolarHBondContact O-N 3.44Å; R512-E514 VanDerWaalsContact C-N 3.31Å; R512-E514 PolarHBondContact O-N 2.91Å; E514-E516 PolarHBondContact O-N 3.08Å; E514-K517 PolarHBondContact O-N 3.24Å; E514-R518 WeakPolarHBondContact O-CG 3.06Å; E514-R518 PolarHBondContact O-N 3.26Å; E514-R518 IonicContact OE1-CZ 2.61Å; E514-R518 IonicContact OE1-NE 2.58Å; E514-R518 PolarHBondContact OE1-NE 2.89Å; E514-R518 IonicContact OE1-NH2 3.4Å; E514-R518 PolarHBondContact OE1-NH2 3.25Å |
| 515 | S | 78.5 | Confident | 78.2 | Confident | 50 Ų | 50 | 123 Ų | 123 | 35% | 0.35 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 176.4 | 83.8 | 0 | 0 | 0 | 0 | 112.9 | E511 R512 K519 | E511-S515 WeakPolarHBondContact O-CB 3.33Å; E511-S515 PolarHBondContact O-N 3.3Å; R512-S515 WeakPolarHBondContact O-CB 3.38Å; R512-S515 PolarHBondContact O-N 3.05Å; R512-S515 VanDerWaalsContact O-N 3.13Å; R512-S515 PolarHBondContact O-OG 3.1Å; S515-K519 WeakPolarHBondContact O-CG 3.24Å; S515-K519 PolarHBondContact O-N 2.89Å |
| 516 | E | 76.4 | Confident | 78.1 | Confident | 83 Ų | 83 | 124.1 Ų | 124.1 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.3 | -34.1 | 177.3 | -71.5 | -173.8 | -162.6 | 0 | 0 | 111.7 | R512 E513 E514 K520 | R512-E516 IonicContact NE-OE1 3.51Å; R512-E516 PolarHBondContact NE-OE1 2.95Å; R512-E516 IonicContact NH2-OE1 2.72Å; R512-E516 PolarHBondContact O-N 2.9Å; E513-E516 PolarHBondContact O-N 3.38Å; E514-E516 PolarHBondContact O-N 3.08Å; E516-K520 WeakPolarHBondContact O-CG 3.4Å; E516-K520 PolarHBondContact O-N 3.39Å |
| 517 | K | 79.4 | Confident | 77.9 | Confident | 128 Ų | 128 | 123.5 Ų | 123.5 | 56% | 0.557 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -47.3 | 173.2 | -170.8 | -177.8 | 176.6 | -162.6 | 0 | 111.8 | E513 E514 K519 K520 E521 | E513-K517 PolarHBondContact O-N 2.83Å; E514-K517 PolarHBondContact O-N 3.24Å; K517-K519 VanDerWaalsContact C-N 3.32Å; K517-K519 PolarHBondContact O-N 3.02Å; K517-K520 PolarHBondContact O-N 3.11Å; K517-E521 WeakPolarHBondContact CE-OE1 3.33Å; K517-E521 IonicContact NZ-OE1 3.84Å; K517-E521 PolarHBondContact O-N 3.25Å; K517-E521 VanDerWaalsContact O-N 3.08Å |
| 518 | R | 81.4 | Confident | 77.7 | Confident | 160 Ų | 160 | 122.2 Ų | 122.2 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.4 | -41.4 | 177.2 | -70.9 | 173.7 | -177.4 | -150.5 | 7.2 | 112 | E514 E521 E522 | E514-R518 WeakPolarHBondContact O-CG 3.06Å; E514-R518 PolarHBondContact O-N 3.26Å; E514-R518 IonicContact OE1-CZ 2.61Å; E514-R518 IonicContact OE1-NE 2.58Å; E514-R518 PolarHBondContact OE1-NE 2.89Å; E514-R518 IonicContact OE1-NH2 3.4Å; E514-R518 PolarHBondContact OE1-NH2 3.25Å; R518-E521 PolarHBondContact O-N 2.68Å; R518-E522 PolarHBondContact O-N 3.44Å; R518-E522 VanDerWaalsContact O-N 3.09Å |
| 519 | K | 78.4 | Confident | 77.9 | Confident | 140 Ų | 140 | 124.1 Ų | 124.1 | 61% | 0.609 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.6 | -44.4 | 174.7 | -75 | 175.5 | 179.6 | 176.7 | 0 | 112.9 | S515 K517 E521 E522 E523 | S515-K519 WeakPolarHBondContact O-CG 3.24Å; S515-K519 PolarHBondContact O-N 2.89Å; K517-K519 VanDerWaalsContact C-N 3.32Å; K517-K519 PolarHBondContact O-N 3.02Å; K519-E521 PolarHBondContact O-N 3.22Å; K519-E522 PolarHBondContact O-N 3.3Å; K519-E523 WeakPolarHBondContact O-CB 3.39Å; K519-E523 PolarHBondContact O-N 3.39Å |
| 520 | K | 73.9 | Confident | 78 | Confident | 134 Ų | 134 | 124.7 Ų | 124.7 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -40 | 178 | -73.6 | 168.2 | 180 | 163.5 | 0 | 112.3 | E516 K517 E522 E523 E524 | E516-K520 WeakPolarHBondContact O-CG 3.4Å; E516-K520 PolarHBondContact O-N 3.39Å; K517-K520 PolarHBondContact O-N 3.11Å; K520-E522 VanDerWaalsContact C-N 3.32Å; K520-E522 PolarHBondContact O-N 2.68Å; K520-E523 PolarHBondContact O-N 3Å; K520-E524 WeakPolarHBondContact O-CB 3.44Å; K520-E524 PolarHBondContact O-N 3.48Å |
| 521 | E | 79.4 | Confident | 78 | Confident | 92 Ų | 92 | 124.8 Ų | 124.8 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.3 | -29.7 | 175.6 | -69.4 | 178.2 | -166.6 | 0 | 0 | 113.1 | K517 R518 K519 K525 | K517-E521 WeakPolarHBondContact CE-OE1 3.33Å; K517-E521 IonicContact NZ-OE1 3.84Å; K517-E521 PolarHBondContact O-N 3.25Å; K517-E521 VanDerWaalsContact O-N 3.08Å; R518-E521 PolarHBondContact O-N 2.68Å; K519-E521 PolarHBondContact O-N 3.22Å; E521-K525 WeakPolarHBondContact O-CD 3.14Å; E521-K525 VanDerWaalsContact O-CG 3.3Å; E521-K525 WeakPolarHBondContact O-CG 3.34Å; E521-K525 PolarHBondContact O-N 2.76Å |
| 522 | E | 79.8 | Confident | 78.1 | Confident | 131 Ų | 131 | 127.1 Ų | 127.1 | 61% | 0.612 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.6 | -38.7 | 175.3 | -171.8 | 168.7 | -139.7 | 0 | 0 | 112.4 | R518 K519 K520 K525 R526 | R518-E522 PolarHBondContact O-N 3.44Å; R518-E522 VanDerWaalsContact O-N 3.09Å; K519-E522 PolarHBondContact O-N 3.3Å; K520-E522 VanDerWaalsContact C-N 3.32Å; K520-E522 PolarHBondContact O-N 2.68Å; E522-K525 PolarHBondContact O-N 3.29Å; E522-R526 PolarHBondContact O-N 3.1Å; E522-R526 VanDerWaalsContact O-N 3.13Å |
| 523 | E | 76.1 | Confident | 77.9 | Confident | 139 Ų | 139 | 124.7 Ų | 124.7 | 65% | 0.65 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.7 | -40.3 | 175.3 | -169.6 | 165.5 | -132.8 | 0 | 0 | 112.1 | K519 K520 K525 R526 H527 | K519-E523 WeakPolarHBondContact O-CB 3.39Å; K519-E523 PolarHBondContact O-N 3.39Å; K520-E523 PolarHBondContact O-N 3Å; E523-K525 PolarHBondContact O-N 3.44Å; E523-R526 PolarHBondContact O-N 2.89Å; E523-H527 PolarHBondContact O-N 2.93Å |
| 524 | E | 77.9 | Confident | 77.9 | Confident | 118 Ų | 118 | 123.8 Ų | 123.8 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.2 | -41.2 | 174.1 | -170.5 | 178.5 | 174.2 | 0 | 0 | 111.8 | K520 H527 Q528 | K520-E524 WeakPolarHBondContact O-CB 3.44Å; K520-E524 PolarHBondContact O-N 3.48Å; E524-H527 PolarHBondContact O-N 3.43Å; E524-Q528 WeakPolarHBondContact O-CG 3.34Å; E524-Q528 PolarHBondContact O-N 3.29Å; E524-Q528 PolarHBondContact OE1-NE2 3.08Å |
| 525 | K | 80.6 | Confident | 77.8 | Confident | 139 Ų | 139 | 126.9 Ų | 126.9 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.9 | -47.2 | 174.8 | -77.8 | 170.6 | -175.3 | 170.1 | 0 | 112 | E521 E522 E523 H527 Q528 E529 | E521-K525 WeakPolarHBondContact O-CD 3.14Å; E521-K525 VanDerWaalsContact O-CG 3.3Å; E521-K525 WeakPolarHBondContact O-CG 3.34Å; E521-K525 PolarHBondContact O-N 2.76Å; E522-K525 PolarHBondContact O-N 3.29Å; E523-K525 PolarHBondContact O-N 3.44Å; K525-H527 VanDerWaalsContact C-N 3.28Å; K525-H527 PolarHBondContact O-N 3.37Å; K525-Q528 PolarHBondContact O-N 3.29Å; K525-E529 WeakPolarHBondContact O-CB 3.23Å; K525-E529 PolarHBondContact O-N 2.88Å |
| 526 | R | 76.4 | Confident | 77.6 | Confident | 185 Ų | 185 | 129.1 Ų | 129.1 | 70% | 0.698 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -57.4 | -40.4 | 175.3 | -79.2 | 176.2 | 153.9 | -118.6 | -6.5 | 112.3 | E522 E523 K530 | E522-R526 PolarHBondContact O-N 3.1Å; E522-R526 VanDerWaalsContact O-N 3.13Å; E523-R526 PolarHBondContact O-N 2.89Å; R526-K530 WeakPolarHBondContact O-CB 3.36Å; R526-K530 PolarHBondContact O-N 2.71Å |
| 527 | H | 75 | Confident | 77.5 | Confident | 105 Ų | 105 | 128.8 Ų | 128.8 | 49% | 0.486 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.1 | -38.5 | 177.4 | 176.5 | -98.7 | 0 | 0 | 0 | 112.8 | E523 E524 K525 K531 | E523-H527 PolarHBondContact O-N 2.93Å; E524-H527 PolarHBondContact O-N 3.43Å; K525-H527 VanDerWaalsContact C-N 3.28Å; K525-H527 PolarHBondContact O-N 3.37Å; H527-K531 PolarHBondContact O-N 3.27Å |
| 528 | Q | 73.8 | Confident | 77.3 | Confident | 117 Ų | 117 | 125.5 Ų | 125.5 | 55% | 0.547 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.5 | -41.5 | 173.5 | -69.2 | -178.2 | 16.4 | 0 | 0 | 112.1 | E524 K525 K531 R532 | E524-Q528 WeakPolarHBondContact O-CG 3.34Å; E524-Q528 PolarHBondContact O-N 3.29Å; E524-Q528 PolarHBondContact OE1-NE2 3.08Å; K525-Q528 PolarHBondContact O-N 3.29Å; Q528-K531 PolarHBondContact O-N 3.21Å; Q528-R532 PolarHBondContact O-N 3.16Å; Q528-R532 VanDerWaalsContact O-N 3.07Å |
| 529 | E | 81.2 | Confident | 77.1 | Confident | 141 Ų | 141 | 122.4 Ų | 122.4 | 66% | 0.659 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64 | -43.4 | 177.5 | -173.2 | 167.2 | -137.3 | 0 | 0 | 112 | K525 K531 R532 L533 | K525-E529 WeakPolarHBondContact O-CB 3.23Å; K525-E529 PolarHBondContact O-N 2.88Å; E529-K531 PolarHBondContact O-N 3.41Å; E529-R532 WeakPolarHBondContact O-CB 3.34Å; E529-R532 PolarHBondContact O-N 2.85Å; E529-R532 VanDerWaalsContact O-N 3.14Å; E529-L533 PolarHBondContact O-N 2.94Å |
| 530 | K | 78.1 | Confident | 76.9 | Confident | 128 Ų | 128 | 121.4 Ų | 121.4 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.6 | -48.2 | 173.3 | -174.6 | 174.6 | -174.5 | -86.7 | 0 | 111.9 | R526 R532 L533 E534 | R526-K530 WeakPolarHBondContact O-CB 3.36Å; R526-K530 PolarHBondContact O-N 2.71Å; K530-R532 VanDerWaalsContact C-N 3.26Å; K530-R532 PolarHBondContact O-N 2.89Å; K530-L533 PolarHBondContact O-N 2.84Å; K530-L533 VanDerWaalsContact O-N 3.15Å; K530-E534 WeakPolarHBondContact CE-OE1 3.49Å; K530-E534 HydrophobicContact CG-CG 4.44Å; K530-E534 IonicContact NZ-OE1 2.97Å; K530-E534 PolarHBondContact NZ-OE1 3.47Å; K530-E534 WeakPolarHBondContact O-CG 3.39Å; K530-E534 PolarHBondContact O-N 2.97Å |
| 531 | K | 76.9 | Confident | 76.8 | Confident | 122 Ų | 122 | 120.3 Ų | 120.3 | 53% | 0.53 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.7 | -29.1 | 178 | -77.1 | -169 | 172.4 | -170.3 | 0 | 113.6 | H527 Q528 E529 R535 | H527-K531 PolarHBondContact O-N 3.27Å; Q528-K531 PolarHBondContact O-N 3.21Å; E529-K531 PolarHBondContact O-N 3.41Å; K531-R535 WeakPolarHBondContact O-CB 3.38Å; K531-R535 PolarHBondContact O-N 2.68Å |
| 532 | R | 81.5 | Confident | 76.4 | Confident | 179 Ų | 179 | 121 Ų | 121 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70 | -43.3 | 173.2 | -174.6 | 178.4 | 178 | 176.3 | 0.3 | 111.2 | Q528 E529 K530 R535 Q536 | Q528-R532 PolarHBondContact O-N 3.16Å; Q528-R532 VanDerWaalsContact O-N 3.07Å; E529-R532 WeakPolarHBondContact O-CB 3.34Å; E529-R532 PolarHBondContact O-N 2.85Å; E529-R532 VanDerWaalsContact O-N 3.14Å; K530-R532 VanDerWaalsContact C-N 3.26Å; K530-R532 PolarHBondContact O-N 2.89Å; R532-R535 PolarHBondContact O-N 2.9Å; R532-Q536 WeakPolarHBondContact O-CG 3.27Å; R532-Q536 PolarHBondContact O-N 3.23Å; R532-Q536 VanDerWaalsContact O-N 3.11Å |
| 533 | L | 76.6 | Confident | 76.1 | Confident | 117 Ų | 117 | 119.4 Ų | 119.4 | 61% | 0.613 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.3 | -44.9 | 179 | -162.4 | 73.7 | 0 | 0 | 0 | 112 | E529 K530 R535 Q536 T537 | E529-L533 PolarHBondContact O-N 2.94Å; K530-L533 PolarHBondContact O-N 2.84Å; K530-L533 VanDerWaalsContact O-N 3.15Å; L533-R535 PolarHBondContact O-N 2.78Å; L533-Q536 PolarHBondContact O-N 3.41Å; L533-T537 PolarHBondContact O-N 3.33Å; L533-T537 VanDerWaalsContact O-N 3.07Å; L533-T537 PolarHBondContact O-OG1 3.46Å; L533-T537 VanDerWaalsContact O-OG1 3.12Å |
| 534 | E | 75.4 | Confident | 75.9 | Confident | 91 Ų | 91 | 117.3 Ų | 117.3 | 43% | 0.425 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.2 | -34.8 | 174.5 | -72.3 | 170.3 | 160.1 | 0 | 0 | 112.7 | K530 T537 A538 | K530-E534 WeakPolarHBondContact CE-OE1 3.49Å; K530-E534 HydrophobicContact CG-CG 4.44Å; K530-E534 IonicContact NZ-OE1 2.97Å; K530-E534 PolarHBondContact NZ-OE1 3.47Å; K530-E534 WeakPolarHBondContact O-CG 3.39Å; K530-E534 PolarHBondContact O-N 2.97Å; E534-T537 PolarHBondContact O-OG1 3.44Å; E534-A538 PolarHBondContact O-N 3.38Å |
| 535 | R | 76.4 | Confident | 75.3 | Confident | 165 Ų | 165 | 118.5 Ų | 118.5 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.5 | -40.7 | 177.1 | -176.5 | 177.1 | 179.1 | 138.6 | 13.7 | 112.5 | K531 R532 L533 A538 E539 | K531-R535 WeakPolarHBondContact O-CB 3.38Å; K531-R535 PolarHBondContact O-N 2.68Å; R532-R535 PolarHBondContact O-N 2.9Å; L533-R535 PolarHBondContact O-N 2.78Å; R535-A538 PolarHBondContact O-N 3Å; R535-E539 WeakPolarHBondContact CG-OE1 3.37Å; R535-E539 IonicContact CZ-OE1 2.81Å; R535-E539 IonicContact NE-OE1 3.24Å; R535-E539 PolarHBondContact NE-OE1 3.29Å; R535-E539 IonicContact NH2-OE1 3.39Å; R535-E539 PolarHBondContact NH2-OE1 3.1Å; R535-E539 WeakPolarHBondContact O-CG 3.32Å; R535-E539 PolarHBondContact O-N 3.16Å |
| 536 | Q | 75.1 | Confident | 74.9 | Confident | 97 Ų | 97 | 116.2 Ų | 116.2 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 178 | -70.2 | -178.1 | -82 | 0 | 0 | 111.7 | R532 L533 E539 E540 | R532-Q536 WeakPolarHBondContact O-CG 3.27Å; R532-Q536 PolarHBondContact O-N 3.23Å; R532-Q536 VanDerWaalsContact O-N 3.11Å; L533-Q536 PolarHBondContact O-N 3.41Å; Q536-E539 PolarHBondContact O-N 3.46Å; Q536-E540 WeakPolarHBondContact O-CG 3.48Å; Q536-E540 PolarHBondContact O-N 3Å |
| 537 | T | 75.1 | Confident | 74.5 | Confident | 77 Ų | 77 | 115 Ų | 115 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 173.2 | 39 | 0 | 0 | 0 | 0 | 112.9 | L533 E534 E540 E541 | L533-T537 PolarHBondContact O-N 3.33Å; L533-T537 VanDerWaalsContact O-N 3.07Å; L533-T537 PolarHBondContact O-OG1 3.46Å; L533-T537 VanDerWaalsContact O-OG1 3.12Å; E534-T537 PolarHBondContact O-OG1 3.44Å; T537-E540 PolarHBondContact O-N 2.87Å; T537-E541 WeakPolarHBondContact O-CG 3.37Å; T537-E541 PolarHBondContact O-N 3.16Å |
| 538 | A | 73.4 | Confident | 74.1 | Confident | 58 Ų | 58 | 115.1 Ų | 115.1 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E534 R535 E540 E541 E542 | E534-A538 PolarHBondContact O-N 3.38Å; R535-A538 PolarHBondContact O-N 3Å; A538-E540 VanDerWaalsContact C-N 3.33Å; A538-E540 PolarHBondContact O-N 2.96Å; A538-E541 PolarHBondContact O-N 3.39Å; A538-E542 PolarHBondContact O-N 3.18Å |
| 539 | E | 77.4 | Confident | 73.3 | Confident | 95 Ų | 95 | 117 Ų | 117 | 44% | 0.444 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -34.3 | 177.5 | -70.9 | 168.8 | -175.8 | 0 | 0 | 111.5 | R535 Q536 D543 | R535-E539 WeakPolarHBondContact CG-OE1 3.37Å; R535-E539 IonicContact CZ-OE1 2.81Å; R535-E539 IonicContact NE-OE1 3.24Å; R535-E539 PolarHBondContact NE-OE1 3.29Å; R535-E539 IonicContact NH2-OE1 3.39Å; R535-E539 PolarHBondContact NH2-OE1 3.1Å; R535-E539 WeakPolarHBondContact O-CG 3.32Å; R535-E539 PolarHBondContact O-N 3.16Å; Q536-E539 PolarHBondContact O-N 3.46Å; E539-D543 PolarHBondContact O-N 2.85Å |
| 540 | E | 73.9 | Confident | 72.4 | Confident | 119 Ų | 119 | 114.8 Ų | 114.8 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.8 | -31.3 | 173 | -79.2 | -171.9 | -171.2 | 0 | 0 | 115 | Q536 T537 A538 K544 | Q536-E540 WeakPolarHBondContact O-CG 3.48Å; Q536-E540 PolarHBondContact O-N 3Å; T537-E540 PolarHBondContact O-N 2.87Å; A538-E540 VanDerWaalsContact C-N 3.33Å; A538-E540 PolarHBondContact O-N 2.96Å; E540-K544 WeakPolarHBondContact O-CD 3.44Å; E540-K544 WeakPolarHBondContact O-CE 3.44Å; E540-K544 VanDerWaalsContact O-CG 3.31Å; E540-K544 WeakPolarHBondContact O-CG 3.02Å; E540-K544 PolarHBondContact O-N 3.22Å; E540-K544 PolarHBondContact O-NZ 3.31Å; E540-K544 IonicContact OE2-NZ 2.73Å |
| 541 | E | 72.3 | Confident | 71.5 | Confident | 111 Ų | 111 | 113.5 Ų | 113.5 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74.9 | -40.3 | 174.6 | -69.9 | -61.1 | 121.9 | 0 | 0 | 111.4 | T537 A538 D543 K544 E545 | T537-E541 WeakPolarHBondContact O-CG 3.37Å; T537-E541 PolarHBondContact O-N 3.16Å; A538-E541 PolarHBondContact O-N 3.39Å; E541-D543 VanDerWaalsContact C-N 3.27Å; E541-D543 PolarHBondContact O-N 3.38Å; E541-K544 WeakPolarHBondContact O-CB 3.26Å; E541-K544 PolarHBondContact O-N 2.97Å; E541-K544 WeakPolarHBondContact OE1-CD 3.38Å; E541-K544 IonicContact OE1-NZ 2.7Å; E541-K544 PolarHBondContact OE1-NZ 2.97Å; E541-E545 PolarHBondContact O-N 3.3Å |
| 542 | E | 71.8 | Confident | 70.5 | Confident | 108 Ų | 108 | 117.5 Ų | 117.5 | 51% | 0.505 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -34.5 | 179.4 | -149.1 | -161.7 | 125 | 0 | 0 | 112.2 | A538 K546 | A538-E542 PolarHBondContact O-N 3.18Å; E542-K546 VanDerWaalsContact CD-NZ 3.29Å; E542-K546 WeakPolarHBondContact O-CD 3.35Å; E542-K546 WeakPolarHBondContact O-CE 3.14Å; E542-K546 VanDerWaalsContact O-CG 3.27Å; E542-K546 WeakPolarHBondContact O-CG 3.3Å; E542-K546 PolarHBondContact O-N 3.39Å; E542-K546 VanDerWaalsContact O-N 3.16Å; E542-K546 WeakPolarHBondContact OE1-CE 3.46Å; E542-K546 IonicContact OE1-NZ 4Å; E542-K546 PolarHBondContact OE1-NZ 3.27Å |
| 543 | D | 73.3 | Confident | 69 | Low | 96 Ų | 96 | 113.3 Ų | 113.3 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -78.3 | -19.7 | 175 | -90.2 | 16.5 | 0 | 0 | 0 | 114 | E539 E541 K546 | E539-D543 PolarHBondContact O-N 2.85Å; E541-D543 VanDerWaalsContact C-N 3.27Å; E541-D543 PolarHBondContact O-N 3.38Å; D543-K546 IonicContact OD1-NZ 3.14Å; D543-K546 PolarHBondContact OD1-NZ 2.97Å |
| 544 | K | 70.9 | Confident | 68 | Low | 95 Ų | 95 | 117.7 Ų | 117.7 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.1 | -45.9 | 167.6 | -69.5 | 162.2 | -166.6 | 140.2 | 0 | 110.3 | E540 E541 K546 K547 V548 | E540-K544 WeakPolarHBondContact O-CD 3.44Å; E540-K544 WeakPolarHBondContact O-CE 3.44Å; E540-K544 VanDerWaalsContact O-CG 3.31Å; E540-K544 WeakPolarHBondContact O-CG 3.02Å; E540-K544 PolarHBondContact O-N 3.22Å; E540-K544 PolarHBondContact O-NZ 3.31Å; E540-K544 IonicContact OE2-NZ 2.73Å; E541-K544 WeakPolarHBondContact O-CB 3.26Å; E541-K544 PolarHBondContact O-N 2.97Å; E541-K544 WeakPolarHBondContact OE1-CD 3.38Å; E541-K544 IonicContact OE1-NZ 2.7Å; E541-K544 PolarHBondContact OE1-NZ 2.97Å; K544-K546 PolarHBondContact O-N 3.26Å; K544-K547 PolarHBondContact O-N 2.81Å; K544-V548 WeakPolarHBondContact O-CG2 3.41Å; K544-V548 PolarHBondContact O-N 3.36Å |
| 545 | E | 67.1 | Low | 66.9 | Low | 144 Ų | 144 | 123.6 Ų | 123.6 | 67% | 0.673 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61 | -42.6 | 178.4 | -68.7 | -160.3 | 140.6 | 0 | 0 | 112.3 | E541 K547 V548 W549 | E541-E545 PolarHBondContact O-N 3.3Å; E545-K547 PolarHBondContact O-N 3.37Å; E545-V548 PolarHBondContact O-N 2.81Å; E545-W549 PolarHBondContact O-N 2.79Å |
| 546 | K | 70.6 | Confident | 65.5 | Low | 91 Ų | 91 | 118.8 Ų | 118.8 | 40% | 0.396 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.7 | -43.1 | 176.3 | -71.3 | 162.3 | -161 | 154 | 0 | 112.8 | E542 D543 K544 V548 W549 D550 | E542-K546 VanDerWaalsContact CD-NZ 3.29Å; E542-K546 WeakPolarHBondContact O-CD 3.35Å; E542-K546 WeakPolarHBondContact O-CE 3.14Å; E542-K546 VanDerWaalsContact O-CG 3.27Å; E542-K546 WeakPolarHBondContact O-CG 3.3Å; E542-K546 PolarHBondContact O-N 3.39Å; E542-K546 VanDerWaalsContact O-N 3.16Å; E542-K546 WeakPolarHBondContact OE1-CE 3.46Å; E542-K546 IonicContact OE1-NZ 4Å; E542-K546 PolarHBondContact OE1-NZ 3.27Å; D543-K546 IonicContact OD1-NZ 3.14Å; D543-K546 PolarHBondContact OD1-NZ 2.97Å; K544-K546 PolarHBondContact O-N 3.26Å; K546-V548 PolarHBondContact O-N 3.24Å; K546-W549 WeakPolarHBondContact O-CB 3.27Å; K546-W549 PolarHBondContact O-N 3.19Å; K546-D550 PolarHBondContact O-N 2.69Å |
| 547 | K | 68.1 | Low | 64 | Low | 159 Ų | 159 | 121.6 Ų | 121.6 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.2 | -41.5 | 175.9 | -80.7 | 176.9 | 176.2 | 169.4 | 0 | 112.5 | K544 E545 W549 D551 | K544-K547 PolarHBondContact O-N 2.81Å; E545-K547 PolarHBondContact O-N 3.37Å; K547-W549 VanDerWaalsContact C-N 3.25Å; K547-W549 PolarHBondContact O-N 3.36Å; K547-D551 PolarHBondContact O-N 3.05Å |
| 548 | V | 66.7 | Low | 62.4 | Low | 107 Ų | 107 | 126.4 Ų | 126.4 | 65% | 0.648 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.9 | -28.8 | 177.1 | 175 | 0 | 0 | 0 | 0 | 111.7 | K544 E545 K546 | K544-V548 WeakPolarHBondContact O-CG2 3.41Å; K544-V548 PolarHBondContact O-N 3.36Å; E545-V548 PolarHBondContact O-N 2.81Å; K546-V548 PolarHBondContact O-N 3.24Å |
| 549 | W | 57.3 | Low | 60.7 | Low | 157 Ų | 157 | 132.8 Ų | 132.8 | 60% | 0.595 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.6 | -48.4 | 176.2 | -166.2 | 87 | 0 | 0 | 0 | 112.6 | E545 K546 K547 D551 R552 E553 | E545-W549 PolarHBondContact O-N 2.79Å; K546-W549 WeakPolarHBondContact O-CB 3.27Å; K546-W549 PolarHBondContact O-N 3.19Å; K547-W549 VanDerWaalsContact C-N 3.25Å; K547-W549 PolarHBondContact O-N 3.36Å; W549-D551 PolarHBondContact O-N 3.22Å; W549-R552 WeakPolarHBondContact O-CB 3.49Å; W549-R552 PolarHBondContact O-N 2.81Å; W549-E553 PolarHBondContact O-N 3.25Å |
| 550 | D | 62.3 | Low | 58.7 | Low | 95 Ų | 95 | 136 Ų | 136 | 51% | 0.508 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59.3 | -43.1 | 178.6 | -87.4 | 5.2 | 0 | 0 | 0 | 112.8 | K546 R552 E553 R554 | K546-D550 PolarHBondContact O-N 2.69Å; D550-R552 PolarHBondContact O-N 2.78Å; D550-E553 PolarHBondContact O-N 2.99Å; D550-R554 PolarHBondContact O-N 2.93Å |
| 551 | D | 59 | Low | 57.4 | Low | 101 Ų | 101 | 135.3 Ų | 135.3 | 54% | 0.54 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.9 | -17.4 | 177.4 | -97.8 | -10 | 0 | 0 | 0 | 113.5 | K547 W549 | K547-D551 PolarHBondContact O-N 3.05Å; W549-D551 PolarHBondContact O-N 3.22Å |
| 552 | R | 56.3 | Low | 55.6 | Low | 205 Ų | 205 | 137 Ų | 137 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -89.1 | -40.9 | 176.2 | -163.4 | 175.3 | -173.8 | 175 | 1.9 | 111.7 | W549 D550 R554 R555 | W549-R552 WeakPolarHBondContact O-CB 3.49Å; W549-R552 PolarHBondContact O-N 2.81Å; D550-R552 PolarHBondContact O-N 2.78Å; R552-R554 VanDerWaalsContact C-N 3.3Å; R552-R554 PolarHBondContact O-N 2.97Å; R552-R555 PolarHBondContact O-N 3.45Å |
| 553 | E | 51 | Low | 53.8 | Low | 91 Ų | 91 | 137.7 Ų | 137.7 | 43% | 0.425 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -65.9 | -33.8 | 179.5 | -147 | -156.8 | -130.7 | 0 | 0 | 112.1 | W549 D550 R555 G556 K557 | W549-E553 PolarHBondContact O-N 3.25Å; D550-E553 PolarHBondContact O-N 2.99Å; E553-R555 PolarHBondContact O-N 3.08Å; E553-R555 VanDerWaalsContact O-N 3.11Å; E553-G556 PolarHBondContact O-N 2.98Å; E553-G556 VanDerWaalsContact O-N 3.11Å; E553-K557 IonicContact OE1-NZ 2.81Å; E553-K557 IonicContact OE2-NZ 3.98Å; E553-K557 PolarHBondContact OE2-NZ 3.28Å |
| 554 | R | 55 | Low | 51.7 | Low | 209 Ų | 209 | 137.9 Ų | 137.9 | 79% | 0.789 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -17.9 | 176.9 | -75.7 | -178.7 | 175 | -162.2 | -1.4 | 115.3 | D550 R552 | D550-R554 PolarHBondContact O-N 2.93Å; R552-R554 VanDerWaalsContact C-N 3.3Å; R552-R554 PolarHBondContact O-N 2.97Å |
| 555 | R | 51.1 | Low | 49.8 | Very low | 215 Ų | 215 | 138.3 Ų | 138.3 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -2.4 | 178.4 | -58.5 | -176.6 | -160 | -127.3 | -0.1 | 113.9 | R552 E553 | R552-R555 PolarHBondContact O-N 3.45Å; E553-R555 PolarHBondContact O-N 3.08Å; E553-R555 VanDerWaalsContact O-N 3.11Å |
| 556 | G | 46.8 | Very low | 48.1 | Very low | 65 Ų | 65 | 140.9 Ų | 140.9 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -100.6 | 6.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | E553 | E553-G556 PolarHBondContact O-N 2.98Å; E553-G556 VanDerWaalsContact O-N 3.11Å |
| 557 | K | 45.2 | Very low | 46 | Very low | 156 Ų | 156 | 142 Ų | 142 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | trans | -120.8 | 58.8 | -168.8 | -73 | 174.8 | 177.4 | 154.9 | 0 | 113.7 | E553 | E553-K557 IonicContact OE1-NZ 2.81Å; E553-K557 IonicContact OE2-NZ 3.98Å; E553-K557 PolarHBondContact OE2-NZ 3.28Å | ||
| 558 | E | 41.1 | Very low | 44 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | -135.3 | 149.7 | 160.9 | -70.3 | -164.1 | 148.9 | 0 | 0 | 111.7 | ||||
| 559 | Q | 37.2 | Very low | 42.1 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | 79.1 | 157.3 | 176.7 | -49.3 | -168.1 | 10 | 0 | 0 | 117.3 | ||||
| 560 | N | 36.6 | Very low | 40.8 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -138.7 | 160.1 | -143.2 | -143.6 | 28.9 | 0 | 0 | 0 | 112.5 | ||||
| 561 | P | 45.4 | Very low | 39.1 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | trans | -109 | 169.3 | -171.1 | 40.7 | -34 | 0 | 0 | 0 | 115.3 | ||||
| 562 | D | 35.8 | Very low | 37.6 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | -156.5 | 150.1 | 160 | -137.2 | -36.3 | 0 | 0 | 0 | 117.2 | ||||
| 563 | T | 32.4 | Very low | 36.9 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 37.1 | 111.9 | 156.3 | 28.5 | 0 | 0 | 0 | 0 | 127.6 | ||||
| 564 | S | 30.9 | Very low | 35.7 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | 75.3 | 110.6 | 110.9 | -158.8 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 565 | S | 30.8 | Very low | 34.7 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 89.5 | 130.4 | 125 | 70.1 | 0 | 0 | 0 | 0 | 127 | |||||
| 566 | K | 30.6 | Very low | 33.6 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | 73.2 | 113.5 | 144.1 | -80.8 | -176 | 176.3 | 178.3 | 0 | 124.5 | ||||
| 567 | S | 26.8 | Very low | 32.7 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | 108.2 | 138 | 120.6 | 77.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 568 | M | 26.5 | Very low | 31.9 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | 59.7 | 117.4 | 156.1 | -61.8 | -164.5 | 74.8 | 0 | 0 | 125.3 | ||||
| 569 | S | 25.8 | Very low | 31.2 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | 69.6 | 125.1 | 130.4 | -159.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 570 | L | 30.3 | Very low | 30.7 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 37 | 117.3 | 149.9 | -60.8 | 169.5 | 0 | 0 | 0 | 118.2 | ||||
| 571 | D | 25.8 | Very low | 30.4 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | -159.7 | -171.5 | 70.9 | -139.3 | -35.7 | 0 | 0 | 0 | 114 | |||||
| 572 | S | 29.1 | Very low | 29.6 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -103.2 | 175.2 | -179.5 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 573 | P | 40.9 | Very low | 29.4 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | cis | -140.8 | 162.3 | 8.6 | 41.5 | -22.5 | 0 | 0 | 0 | 119.5 | ||||
| 574 | A | 25.4 | Very low | 28.9 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 64.9 | 166 | 155.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 575 | P | 33.8 | Very low | 28.7 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -125.2 | 176.8 | -16.6 | 39 | -22.8 | 0 | 0 | 0 | 115.3 | ||||
| 576 | N | 28 | Very low | 29 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 12.9 | 148.2 | 160.1 | -69.7 | -8 | 0 | 0 | 0 | 125.2 | ||||
| 577 | H | 28.1 | Very low | 28.6 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 111.4 | 114.1 | 139.7 | -94.3 | -39 | 0 | 0 | 0 | 122.2 | ||||
| 578 | I | 27.6 | Very low | 28.6 | Very low | 141 Ų | 141 | 143 Ų | 143 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | 50.6 | 130.8 | 145.9 | -20 | 177.1 | 0 | 0 | 0 | 122 | ||||
| 579 | V | 26.9 | Very low | 28.9 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | 157.9 | 149.8 | 118.3 | 164.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 580 | S | 26.2 | Very low | 28.8 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 70.2 | 106.7 | 162.4 | 58.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 581 | E | 32 | Very low | 28.7 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -61.5 | 149.7 | 146.5 | -56.6 | 173.9 | 144.5 | 0 | 0 | 111.1 | R626 | E581-R626 IonicContact OE1-NH2 2.64Å; E581-R626 PolarHBondContact OE1-NH2 3.37Å | ||
| 582 | I | 27.2 | Very low | 29.3 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -116.5 | 126.4 | 160.3 | -67.7 | -179.7 | 0 | 0 | 0 | 108.8 | ||||
| 583 | K | 31.8 | Very low | 29.5 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -86.4 | 134.9 | -171.5 | -62.2 | 173.9 | -179.9 | 174.3 | 0 | 112.8 | ||||
| 584 | R | 23.1 | Very low | 29.2 | Very low | 231 Ų | 231 | 150.4 Ų | 150.4 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -161.9 | 147.6 | 149.6 | -83.1 | -159 | 179.5 | 102.8 | -0.2 | 108.4 | ||||
| 585 | E | 25.5 | Very low | 29.7 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | -161.6 | 136.7 | -25 | -163 | 157.1 | -142.4 | 0 | 0 | 106.5 | ||||
| 586 | P | 36.8 | Very low | 29.7 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -97.7 | 106.4 | -157.3 | 34.7 | -34.1 | 0 | 0 | 0 | 115.8 | ||||
| 587 | L | 23.3 | Very low | 30.2 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -135.5 | 86.1 | 169.5 | -79 | 177.9 | 0 | 0 | 0 | 115.3 | ||||
| 588 | T | 27.4 | Very low | 30.6 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 40.8 | 117.6 | 130.1 | 57.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 589 | R | 31.7 | Very low | 31.1 | Very low | 228 Ų | 228 | 145.2 Ų | 145.2 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | 78.8 | 90 | 119.2 | -163.5 | -177.5 | -168.8 | 155.3 | 6 | 121.2 | |||||
| 590 | A | 23.6 | Very low | 31.7 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -167.3 | 140.6 | 132.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 591 | R | 29.2 | Very low | 32.8 | Very low | 234 Ų | 234 | 144.5 Ų | 144.5 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | cis | -118.2 | 163.1 | -8 | -81.1 | -174.5 | 166.4 | 122.2 | -4.1 | 110.1 | ||||
| 592 | S | 37.6 | Very low | 33.7 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | -130.4 | 96.6 | -176.3 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 593 | E | 33 | Very low | 35.6 | Very low | 188 Ų | 188 | 134 Ų | 134 | 88% | 0.879 | 71% | 0.711 | S | S | * | * | trans | -145.2 | -12.2 | 177 | -106.1 | 147.7 | -137.9 | 0 | 0 | 113.7 | ||||
| 594 | E | 34.8 | Very low | 36.9 | Very low | 121 Ų | 121 | 133 Ų | 133 | 57% | 0.565 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -121.3 | 56.1 | -179.1 | -159.2 | -177.7 | 171.7 | 0 | 0 | 112.9 | ||
| 595 | M | 36.1 | Very low | 38.6 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 50% | 0.502 | 68% | 0.684 | S | S | . | * | trans | -142.9 | 104.4 | 165.9 | -80.8 | -162.7 | 176.7 | 0 | 0 | 109.4 | M607 F609 Y620 | M595-M607 HydrophobicContact CB-CE 3.97Å; M595-M607 HydrophobicContact CG-CE 4.42Å; M595-M607 HydrophobicContact SD-CE 4.42Å; M595-F609 HydrophobicContact CE-CD1 3.83Å; M595-F609 HydrophobicContact CE-CD2 4.28Å; M595-F609 HydrophobicContact CE-CE1 3.95Å; M595-F609 HydrophobicContact CE-CE2 4.38Å; M595-F609 HydrophobicContact CE-CG 3.99Å; M595-F609 HydrophobicContact CE-CZ 4.21Å; M595-Y620 HydrophobicContact CE-CG 4.37Å; M595-Y620 HydrophobicContact SD-CD1 4.49Å | ||
| 596 | G | 34.6 | Very low | 40.5 | Very low | 71 Ų | 71 | 117.3 Ų | 117.3 | 73% | 0.732 | 66% | 0.655 | S | S | * | * | trans | 179.1 | 30 | -171.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 597 | R | 37.5 | Very low | 42.1 | Very low | 215 Ų | 215 | 114.3 Ų | 114.3 | 81% | 0.811 | 63% | 0.632 | S | S | * | * | trans | -140.3 | 124.5 | 164.7 | -69.2 | -171.2 | -175.3 | -99.6 | -1.8 | 111.1 | V599 | R597-V599 PolarHBondContact O-N 3.47Š| ||
| 598 | S | 36 | Very low | 44.5 | Very low | 116 Ų | 116 | 109.9 Ų | 109.9 | 81% | 0.811 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 127 | 163.9 | -40.2 | 0 | 0 | 0 | 0 | 108.5 | ||
| 599 | V | 38.6 | Very low | 46 | Very low | 60 Ų | 60 | 106.2 Ų | 106.2 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -96 | 122.6 | 174.6 | 176.7 | 0 | 0 | 0 | 0 | 108 | R597 G601 L602 K608 | R597-V599 PolarHBondContact O-N 3.47Å; V599-G601 PolarHBondContact O-N 3.42Å; V599-L602 HydrophobicContact CB-CD1 4.28Å; V599-L602 PolarHBondContact O-N 2.99Å; V599-K608 HydrophobicContact CG2-CB 3.97Å |
| 600 | P | 39.8 | Very low | 46.9 | Very low | 128 Ų | 128 | 97.9 Ų | 97.9 | 83% | 0.831 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 137.6 | 177.7 | -25.8 | 34.9 | 0 | 0 | 0 | 111.9 | ||
| 601 | G | 49 | Very low | 48.2 | Very low | 82 Ų | 82 | 94.1 Ų | 94.1 | 85% | 0.845 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | 2.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V599 | V599-G601 PolarHBondContact O-N 3.42Š|
| 602 | L | 52.1 | Low | 48.8 | Very low | 36 Ų | 36 | 88 Ų | 88 | 19% | 0.188 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -95.5 | 142.5 | 167 | -78.1 | 172 | 0 | 0 | 0 | 111.4 | V599 W606 K608 Y619 P631 P632 | V599-L602 HydrophobicContact CB-CD1 4.28Å; V599-L602 PolarHBondContact O-N 2.99Å; L602-W606 HydrophobicContact CB-CB 4.14Å; L602-W606 HydrophobicContact CD1-CB 4.41Å; L602-W606 HydrophobicContact CD2-CB 4.18Å; L602-W606 HydrophobicContact CG-CB 4.49Å; L602-K608 HydrophobicContact CD1-CB 4.13Å; L602-Y619 HydrophobicContact CD1-CD1 3.99Å; L602-Y619 HydrophobicContact CD1-CE1 4.09Å; L602-Y619 HydrophobicContact CD2-CD1 3.88Å; L602-Y619 HydrophobicContact CD2-CE1 3.99Å; L602-P631 HydrophobicContact CD2-CB 3.87Å; L602-P632 HydrophobicContact CD2-CG 4.42Å |
| 603 | P | 65.8 | Low | 49 | Very low | 54 Ų | 54 | 88.4 Ų | 88.4 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 156.5 | 170.8 | -20.5 | 32.9 | 0 | 0 | 0 | 112.6 | G605 W606 P632 V634 | P603-G605 PolarHBondContact O-N 3.49Å; P603-W606 WeakPolarHBondContact O-CB 3.28Å; P603-W606 PolarHBondContact O-N 3.02Å; P603-W606 VanDerWaalsContact O-N 3.11Å; P603-P632 HydrophobicContact CG-CG 3.91Å; P603-V634 HydrophobicContact CG-CG2 4.32Å |
| 604 | D | 59.6 | Low | 49.7 | Very low | 165 Ų | 165 | 81.1 Ų | 81.1 | 88% | 0.882 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 139.2 | 177.5 | -89.7 | -36.2 | 0 | 0 | 0 | 112.2 | ||
| 605 | G | 57.9 | Low | 50 | Low | 23 Ų | 23 | 78.3 Ų | 78.3 | 24% | 0.237 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -9.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | P603 H621 S622 | P603-G605 PolarHBondContact O-N 3.49Å; G605-H621 WeakPolarHBondContact O-CA 3.49Å; G605-S622 PolarHBondContact O-N 3.01Å; G605-S622 PolarHBondContact O-OG 3.26Å |
| 606 | W | 66.6 | Low | 50.4 | Low | 42 Ų | 42 | 75.1 Ų | 75.1 | 16% | 0.159 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.1 | 177.5 | -68.1 | 83.6 | 0 | 0 | 0 | 113.3 | L602 P603 Y620 H621 H628 P632 | L602-W606 HydrophobicContact CB-CB 4.14Å; L602-W606 HydrophobicContact CD1-CB 4.41Å; L602-W606 HydrophobicContact CD2-CB 4.18Å; L602-W606 HydrophobicContact CG-CB 4.49Å; P603-W606 WeakPolarHBondContact O-CB 3.28Å; P603-W606 PolarHBondContact O-N 3.02Å; P603-W606 VanDerWaalsContact O-N 3.11Å; W606-Y620 CarbonylContact C-O 3.57Å; W606-Y620 WeakPolarHBondContact CA-O 3.49Å; W606-H621 AromaticContact CD1-CD2 3.41Å; W606-H621 VanDerWaalsContact CD1-CD2 3.41Å; W606-H621 AromaticContact CD1-NE2 3.92Å; W606-H621 HydrophobicContact CD2-CB 3.95Å; W606-H621 AromaticContact CD2-CD2 3.63Å; W606-H621 AromaticContact CE2-CD2 3.22Å; W606-H621 AromaticContact CE2-CG 3.61Å; W606-H621 AromaticContact CE2-NE2 3.86Å; W606-H621 HydrophobicContact CE3-CB 3.88Å; W606-H621 AromaticContact CG-CD2 3.76Å; W606-H621 HydrophobicContact CH2-CB 3.85Å; W606-H621 HydrophobicContact CZ2-CB 3.88Å; W606-H621 AromaticContact CZ2-CD2 3.76Å; W606-H621 AromaticContact CZ2-CG 3.7Å; W606-H621 HydrophobicContact CZ3-CB 3.85Å; W606-H621 AromaticContact NE1-CD2 3.06Å; W606-H621 PolarHBondContact NE1-CD2 3.29Å; W606-H621 AromaticContact NE1-CG 3.92Å; W606-H621 AromaticContact NE1-NE2 3.37Å; W606-H621 PolarHBondContact NE1-NE2 3.06Å; W606-H628 AromaticContact CH2-CD2 3.68Å; W606-H628 AromaticContact CH2-CG 3.93Å; W606-H628 AromaticContact CH2-NE2 3.84Å; W606-H628 HydrophobicContact CZ3-CB 4.1Å; W606-H628 AromaticContact CZ3-CD2 3.62Å; W606-H628 AromaticContact CZ3-CG 3.81Å; W606-P632 HydrophobicContact CD2-CB 4.26Å; W606-P632 HydrophobicContact CD2-CG 3.68Å; W606-P632 HydrophobicContact CE3-CG 4.19Å; W606-P632 HydrophobicContact CG-CG 3.92Å; W606-P632 HydrophobicContact CH2-CB 4.23Å; W606-P632 HydrophobicContact CZ2-CB 3.8Å; W606-P632 HydrophobicContact CZ2-CG 4.17Å |
| 607 | M | 69.8 | Low | 51.7 | Low | 56 Ų | 56 | 77.7 Ų | 77.7 | 28% | 0.276 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.4 | -178.6 | -68.2 | 173 | 59.2 | 0 | 0 | 111.3 | M595 Y619 Y620 | M595-M607 HydrophobicContact CB-CE 3.97Å; M595-M607 HydrophobicContact CG-CE 4.42Å; M595-M607 HydrophobicContact SD-CE 4.42Å; M607-Y619 CarbonylContact O-C 3.53Å; M607-Y619 WeakPolarHBondContact O-CA 3.25Å; M607-Y620 PolarHBondContact N-O 3.42Å; M607-Y620 PolarHBondContact O-N 2.92Å; M607-Y620 HydrophobicContact SD-CD1 4.28Å |
| 608 | K | 73.4 | Confident | 53.4 | Low | 70 Ų | 70 | 69.5 Ų | 69.5 | 30% | 0.304 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 133.2 | 173.5 | -171.4 | 178.9 | -179.3 | 175.7 | 0 | 110.3 | V599 L602 Y617 R618 Y619 | V599-K608 HydrophobicContact CG2-CB 3.97Å; L602-K608 HydrophobicContact CD1-CB 4.13Å; K608-Y617 HydrophobicContact CD-CD1 4.29Å; K608-Y617 HydrophobicContact CD-CG 4.41Å; K608-Y617 VanDerWaalsContact CE-CD1 3.49Å; K608-Y617 HydrophobicContact CG-CD1 4.12Å; K608-Y617 HydrophobicContact CG-CG 4.44Å; K608-R618 WeakPolarHBondContact CA-O 3.35Å; K608-Y619 HydrophobicContact CB-CD1 4.11Å; K608-Y619 HydrophobicContact CB-CE1 3.94Å; K608-Y619 HydrophobicContact CD-CE1 3.81Å; K608-Y619 WeakPolarHBondContact CE-OH 3.44Å; K608-Y619 HydrophobicContact CG-CD1 4.26Å; K608-Y619 HydrophobicContact CG-CE1 3.81Å; K608-Y619 HydrophobicContact CG-CE2 4.43Å; K608-Y619 PolarHBondContact NZ-OH 3.15Å |
| 609 | F | 60.3 | Low | 55.3 | Low | 44 Ų | 44 | 65.4 Ų | 65.4 | 19% | 0.193 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 163.6 | 175 | 70.8 | -80.5 | 0 | 0 | 0 | 110.8 | M595 Y617 R618 V627 | M595-F609 HydrophobicContact CE-CD1 3.83Å; M595-F609 HydrophobicContact CE-CD2 4.28Å; M595-F609 HydrophobicContact CE-CE1 3.95Å; M595-F609 HydrophobicContact CE-CE2 4.38Å; M595-F609 HydrophobicContact CE-CG 3.99Å; M595-F609 HydrophobicContact CE-CZ 4.21Å; F609-Y617 CarbonylContact O-C 3.6Å; F609-Y617 VanDerWaalsContact O-CA 3.3Å; F609-Y617 WeakPolarHBondContact O-CA 3.33Å; F609-R618 HydrophobicContact CD1-CB 4.18Å; F609-R618 WeakPolarHBondContact CD1-O 3.43Å; F609-R618 HydrophobicContact CE1-CB 3.61Å; F609-R618 HydrophobicContact CE2-CB 4.14Å; F609-R618 HydrophobicContact CZ-CB 3.61Å; F609-R618 HydrophobicContact CZ-CG 4.36Å; F609-R618 PolarHBondContact N-O 3.47Å; F609-R618 PolarHBondContact O-N 3.27Å; F609-V627 HydrophobicContact CE1-CG1 4Å; F609-V627 HydrophobicContact CE1-CG2 4.38Å; F609-V627 HydrophobicContact CZ-CG1 3.81Å; F609-V627 HydrophobicContact CZ-CG2 4.27Å |
| 610 | L | 48.8 | Very low | 56.9 | Low | 53 Ų | 53 | 64.6 Ų | 64.6 | 28% | 0.277 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.6 | -179.8 | -173.7 | 60.3 | 0 | 0 | 0 | 110.2 | T612 G615 Y617 | L610-T612 PolarHBondContact O-N 3.36Å; L610-G615 WeakPolarHBondContact CD1-O 3.18Å; L610-Y617 HydrophobicContact CB-CD1 4.05Å; L610-Y617 HydrophobicContact CB-CE1 3.99Å; L610-Y617 HydrophobicContact CD1-CD1 3.89Å; L610-Y617 HydrophobicContact CD1-CD2 4.31Å; L610-Y617 HydrophobicContact CD1-CE1 3.92Å; L610-Y617 HydrophobicContact CD1-CE2 4.33Å; L610-Y617 HydrophobicContact CD1-CG 4.1Å; L610-Y617 HydrophobicContact CG-CE1 4.39Å |
| 611 | D | 52.2 | Low | 58.7 | Low | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 99.1 | 170.8 | -175.3 | -12.8 | 0 | 0 | 0 | 109 | V613 T614 G615 T616 R618 R858 | D611-V613 PolarHBondContact O-N 3.18Å; D611-V613 WeakPolarHBondContact OD1-CB 3.38Å; D611-V613 PolarHBondContact OD1-N 3.27Å; D611-T614 WeakPolarHBondContact CB-OG1 3.46Å; D611-T614 VanDerWaalsContact CG-OG1 3.3Å; D611-T614 CarbonylContact O-C 3.54Å; D611-T614 PolarHBondContact O-N 3.35Å; D611-T614 PolarHBondContact OD2-OG1 3.27Å; D611-G615 PolarHBondContact O-N 3.26Å; D611-T616 PolarHBondContact N-O 3.42Å; D611-R618 HydrophobicContact CB-CG 4.37Å; D611-R618 IonicContact OD2-CZ 3.52Å; D611-R618 VanDerWaalsContact OD2-CZ 3.22Å; D611-R618 IonicContact OD2-NE 2.75Å; D611-R618 PolarHBondContact OD2-NE 2.9Å; D611-R618 IonicContact OD2-NH2 2.7Å; D611-R618 PolarHBondContact OD2-NH2 2.96Å; D611-R858 IonicContact OD2-NH2 2.66Å; D611-R858 PolarHBondContact OD2-NH2 3.25Å |
| 612 | T | 41.3 | Very low | 59.5 | Low | 107 Ų | 107 | 58.8 Ų | 58.8 | 66% | 0.656 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -8.4 | -179.5 | 49.7 | 0 | 0 | 0 | 0 | 114.4 | L610 | L610-T612 PolarHBondContact O-N 3.36Š|
| 613 | V | 41.6 | Very low | 60.2 | Low | 103 Ų | 103 | 61.5 Ų | 61.5 | 62% | 0.624 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -19.6 | 172.7 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | D611 | D611-V613 PolarHBondContact O-N 3.18Å; D611-V613 WeakPolarHBondContact OD1-CB 3.38Å; D611-V613 PolarHBondContact OD1-N 3.27Å |
| 614 | T | 47.7 | Very low | 60.2 | Low | 36 Ų | 36 | 62.6 Ų | 62.6 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | 4.5 | -175.6 | 65.9 | 0 | 0 | 0 | 0 | 114.9 | D611 T616 R618 | D611-T614 WeakPolarHBondContact CB-OG1 3.46Å; D611-T614 VanDerWaalsContact CG-OG1 3.3Å; D611-T614 CarbonylContact O-C 3.54Å; D611-T614 PolarHBondContact O-N 3.35Å; D611-T614 PolarHBondContact OD2-OG1 3.27Å; T614-T616 WeakPolarHBondContact CB-OG1 3.41Å; T614-T616 PolarHBondContact O-N 3.02Å; T614-T616 PolarHBondContact O-OG1 3.31Å; T614-T616 PolarHBondContact OG1-OG1 2.97Å; T614-R618 PolarHBondContact OG1-NH2 2.74Å |
| 615 | G | 41.1 | Very low | 60.7 | Low | 62 Ų | 62 | 60.6 Ų | 60.6 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 2.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L610 D611 | L610-G615 WeakPolarHBondContact CD1-O 3.18Å; D611-G615 PolarHBondContact O-N 3.26Å |
| 616 | T | 44.8 | Very low | 60.8 | Low | 34 Ų | 34 | 66.3 Ų | 66.3 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.4 | -166.7 | 12.7 | 0 | 0 | 0 | 0 | 111.1 | D611 T614 L786 | D611-T616 PolarHBondContact N-O 3.42Å; T614-T616 WeakPolarHBondContact CB-OG1 3.41Å; T614-T616 PolarHBondContact O-N 3.02Å; T614-T616 PolarHBondContact O-OG1 3.31Å; T614-T616 PolarHBondContact OG1-OG1 2.97Å; T616-L786 HydrophobicContact CG2-CD2 3.94Å; T616-L786 WeakPolarHBondContact OG1-CD2 3.41Å |
| 617 | Y | 62.1 | Low | 61 | Low | 126 Ų | 126 | 68.1 Ų | 68.1 | 49% | 0.494 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 140.5 | 174 | -68.6 | -76.9 | 0 | 0 | 0 | 111.4 | K608 F609 L610 | K608-Y617 HydrophobicContact CD-CD1 4.29Å; K608-Y617 HydrophobicContact CD-CG 4.41Å; K608-Y617 VanDerWaalsContact CE-CD1 3.49Å; K608-Y617 HydrophobicContact CG-CD1 4.12Å; K608-Y617 HydrophobicContact CG-CG 4.44Å; F609-Y617 CarbonylContact O-C 3.6Å; F609-Y617 VanDerWaalsContact O-CA 3.3Å; F609-Y617 WeakPolarHBondContact O-CA 3.33Å; L610-Y617 HydrophobicContact CB-CD1 4.05Å; L610-Y617 HydrophobicContact CB-CE1 3.99Å; L610-Y617 HydrophobicContact CD1-CD1 3.89Å; L610-Y617 HydrophobicContact CD1-CD2 4.31Å; L610-Y617 HydrophobicContact CD1-CE1 3.92Å; L610-Y617 HydrophobicContact CD1-CE2 4.33Å; L610-Y617 HydrophobicContact CD1-CG 4.1Å; L610-Y617 HydrophobicContact CG-CE1 4.39Å |
| 618 | R | 72 | Confident | 60.8 | Low | 42 Ų | 42 | 69.1 Ų | 69.1 | 16% | 0.158 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 158.9 | 175.6 | -60.9 | -175.2 | -172.1 | -82.2 | -7 | 110.3 | K608 F609 D611 T614 V627 | K608-R618 WeakPolarHBondContact CA-O 3.35Å; F609-R618 HydrophobicContact CD1-CB 4.18Å; F609-R618 WeakPolarHBondContact CD1-O 3.43Å; F609-R618 HydrophobicContact CE1-CB 3.61Å; F609-R618 HydrophobicContact CE2-CB 4.14Å; F609-R618 HydrophobicContact CZ-CB 3.61Å; F609-R618 HydrophobicContact CZ-CG 4.36Å; F609-R618 PolarHBondContact N-O 3.47Å; F609-R618 PolarHBondContact O-N 3.27Å; D611-R618 HydrophobicContact CB-CG 4.37Å; D611-R618 IonicContact OD2-CZ 3.52Å; D611-R618 VanDerWaalsContact OD2-CZ 3.22Å; D611-R618 IonicContact OD2-NE 2.75Å; D611-R618 PolarHBondContact OD2-NE 2.9Å; D611-R618 IonicContact OD2-NH2 2.7Å; D611-R618 PolarHBondContact OD2-NH2 2.96Å; T614-R618 PolarHBondContact OG1-NH2 2.74Å; R618-V627 HydrophobicContact CB-CG1 3.88Å; R618-V627 HydrophobicContact CG-CG1 4.38Å |
| 619 | Y | 77.8 | Confident | 59.8 | Low | 30 Ų | 30 | 67.6 Ų | 67.6 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 106.5 | -173.7 | -65.4 | -97.3 | 0 | 0 | 0 | 109.7 | L602 M607 K608 H628 Y630 P631 | L602-Y619 HydrophobicContact CD1-CD1 3.99Å; L602-Y619 HydrophobicContact CD1-CE1 4.09Å; L602-Y619 HydrophobicContact CD2-CD1 3.88Å; L602-Y619 HydrophobicContact CD2-CE1 3.99Å; M607-Y619 CarbonylContact O-C 3.53Å; M607-Y619 WeakPolarHBondContact O-CA 3.25Å; K608-Y619 HydrophobicContact CB-CD1 4.11Å; K608-Y619 HydrophobicContact CB-CE1 3.94Å; K608-Y619 HydrophobicContact CD-CE1 3.81Å; K608-Y619 WeakPolarHBondContact CE-OH 3.44Å; K608-Y619 HydrophobicContact CG-CD1 4.26Å; K608-Y619 HydrophobicContact CG-CE1 3.81Å; K608-Y619 HydrophobicContact CG-CE2 4.43Å; K608-Y619 PolarHBondContact NZ-OH 3.15Å; Y619-H628 PolarHBondContact N-O 3.21Å; Y619-H628 PolarHBondContact O-N 2.95Å; Y619-Y630 VanDerWaalsContact CD2-C 3.42Å; Y619-P631 HydrophobicContact CD1-CB 3.97Å; Y619-P631 HydrophobicContact CE1-CB 3.7Å; Y619-P631 HydrophobicContact CE1-CG 4.33Å |
| 620 | Y | 71 | Confident | 59.7 | Low | 43 Ų | 43 | 71.7 Ų | 71.7 | 17% | 0.169 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 130.2 | 177.5 | 173.4 | -112.1 | 0 | 0 | 0 | 110.3 | M595 W606 M607 N625 V627 | M595-Y620 HydrophobicContact CE-CG 4.37Å; M595-Y620 HydrophobicContact SD-CD1 4.49Å; W606-Y620 CarbonylContact C-O 3.57Å; W606-Y620 WeakPolarHBondContact CA-O 3.49Å; M607-Y620 PolarHBondContact N-O 3.42Å; M607-Y620 PolarHBondContact O-N 2.92Å; M607-Y620 HydrophobicContact SD-CD1 4.28Å; Y620-N625 WeakPolarHBondContact CE2-OD1 3.41Å; Y620-N625 PolarHBondContact OH-OD1 2.86Å; Y620-V627 HydrophobicContact CD2-CG2 3.95Å |
| 621 | H | 77.1 | Confident | 60.2 | Low | 31 Ų | 31 | 72.2 Ų | 72.2 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108 | 172.3 | -172.8 | -129 | 0 | 0 | 0 | 109.5 | G605 W606 P623 T624 N625 R626 | G605-H621 WeakPolarHBondContact O-CA 3.49Å; W606-H621 AromaticContact CD1-CD2 3.41Å; W606-H621 VanDerWaalsContact CD1-CD2 3.41Å; W606-H621 AromaticContact CD1-NE2 3.92Å; W606-H621 HydrophobicContact CD2-CB 3.95Å; W606-H621 AromaticContact CD2-CD2 3.63Å; W606-H621 AromaticContact CE2-CD2 3.22Å; W606-H621 AromaticContact CE2-CG 3.61Å; W606-H621 AromaticContact CE2-NE2 3.86Å; W606-H621 HydrophobicContact CE3-CB 3.88Å; W606-H621 AromaticContact CG-CD2 3.76Å; W606-H621 HydrophobicContact CH2-CB 3.85Å; W606-H621 HydrophobicContact CZ2-CB 3.88Å; W606-H621 AromaticContact CZ2-CD2 3.76Å; W606-H621 AromaticContact CZ2-CG 3.7Å; W606-H621 HydrophobicContact CZ3-CB 3.85Å; W606-H621 AromaticContact NE1-CD2 3.06Å; W606-H621 PolarHBondContact NE1-CD2 3.29Å; W606-H621 AromaticContact NE1-CG 3.92Å; W606-H621 AromaticContact NE1-NE2 3.37Å; W606-H621 PolarHBondContact NE1-NE2 3.06Å; H621-P623 WeakPolarHBondContact NE2-CD 3.27Å; H621-T624 PolarHBondContact ND1-OG1 3.11Å; H621-T624 PolarHBondContact O-N 3.46Å; H621-N625 WeakPolarHBondContact O-CA 3.27Å; H621-N625 PolarHBondContact O-N 3.34Å; H621-R626 PolarHBondContact N-O 3.36Å |
| 622 | S | 65.6 | Low | 60.3 | Low | 58 Ų | 58 | 72.8 Ų | 72.8 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -32.3 | -172.4 | 69.1 | 0 | 0 | 0 | 0 | 115.5 | G605 | G605-S622 PolarHBondContact O-N 3.01Å; G605-S622 PolarHBondContact O-OG 3.26Å |
| 623 | P | 67.3 | Low | 60.8 | Low | 93 Ų | 93 | 76.4 Ų | 76.4 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -32.8 | 175.6 | -21 | 34.5 | 0 | 0 | 0 | 114.1 | H621 | H621-P623 WeakPolarHBondContact NE2-CD 3.27Š|
| 624 | T | 67.1 | Low | 60.9 | Low | 77 Ų | 77 | 76.8 Ų | 76.8 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -3.2 | -179.4 | 62.8 | 0 | 0 | 0 | 0 | 114 | H621 R626 | H621-T624 PolarHBondContact ND1-OG1 3.11Å; H621-T624 PolarHBondContact O-N 3.46Å; T624-R626 PolarHBondContact O-N 3.3Å |
| 625 | N | 68.6 | Low | 60.3 | Low | 122 Ų | 122 | 80.9 Ų | 80.9 | 65% | 0.652 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 34.4 | 179.2 | -155.3 | -9.3 | 0 | 0 | 0 | 113.1 | Y620 H621 | Y620-N625 WeakPolarHBondContact CE2-OD1 3.41Å; Y620-N625 PolarHBondContact OH-OD1 2.86Å; H621-N625 WeakPolarHBondContact O-CA 3.27Å; H621-N625 PolarHBondContact O-N 3.34Å |
| 626 | R | 59.7 | Low | 59.8 | Low | 144 Ų | 144 | 84 Ų | 84 | 54% | 0.543 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 149.1 | 179.6 | -73.3 | -174.7 | 177.7 | -165.3 | -3.5 | 111.2 | E581 H621 T624 | E581-R626 IonicContact OE1-NH2 2.64Å; E581-R626 PolarHBondContact OE1-NH2 3.37Å; H621-R626 PolarHBondContact N-O 3.36Å; T624-R626 PolarHBondContact O-N 3.3Å |
| 627 | V | 71.5 | Confident | 59.2 | Low | 79 Ų | 79 | 88 Ų | 88 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.1 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | F609 R618 Y620 | F609-V627 HydrophobicContact CE1-CG1 4Å; F609-V627 HydrophobicContact CE1-CG2 4.38Å; F609-V627 HydrophobicContact CZ-CG1 3.81Å; F609-V627 HydrophobicContact CZ-CG2 4.27Å; R618-V627 HydrophobicContact CB-CG1 3.88Å; R618-V627 HydrophobicContact CG-CG1 4.38Å; Y620-V627 HydrophobicContact CD2-CG2 3.95Å |
| 628 | H | 65.5 | Low | 57.8 | Low | 77 Ų | 77 | 91 Ų | 91 | 36% | 0.356 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 155 | -178.6 | -62.2 | -108.5 | 0 | 0 | 0 | 110 | W606 Y619 | W606-H628 AromaticContact CH2-CD2 3.68Å; W606-H628 AromaticContact CH2-CG 3.93Å; W606-H628 AromaticContact CH2-NE2 3.84Å; W606-H628 HydrophobicContact CZ3-CB 4.1Å; W606-H628 AromaticContact CZ3-CD2 3.62Å; W606-H628 AromaticContact CZ3-CG 3.81Å; Y619-H628 PolarHBondContact N-O 3.21Å; Y619-H628 PolarHBondContact O-N 2.95Å |
| 629 | L | 52.9 | Low | 56 | Low | 39 Ų | 39 | 95.2 Ų | 95.2 | 20% | 0.204 | 51% | 0.513 | C | S | . | . | S | Bend | trans | -84.8 | -25.9 | 178.3 | -171.2 | 64.4 | 0 | 0 | 0 | 112.7 | I785 | L629-I785 HydrophobicContact CD2-CB 3.67Å; L629-I785 HydrophobicContact CD2-CG2 3.72Å |
| 630 | Y | 57.6 | Low | 54 | Low | 130 Ų | 130 | 99.2 Ų | 99.2 | 51% | 0.51 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -121.4 | 157.1 | -177 | -57.9 | -64.1 | 0 | 0 | 0 | 110.2 | Y619 | Y619-Y630 VanDerWaalsContact CD2-C 3.42Š|
| 631 | P | 59.1 | Low | 52.3 | Low | 64 Ų | 64 | 103.3 Ų | 103.3 | 42% | 0.416 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 157.9 | 170.7 | 28.9 | -35 | 0 | 0 | 0 | 111.1 | L602 Y619 | L602-P631 HydrophobicContact CD2-CB 3.87Å; Y619-P631 HydrophobicContact CD1-CB 3.97Å; Y619-P631 HydrophobicContact CE1-CB 3.7Å; Y619-P631 HydrophobicContact CE1-CG 4.33Å |
| 632 | P | 55.4 | Low | 50.1 | Low | 32 Ų | 32 | 106.7 Ų | 106.7 | 21% | 0.208 | 60% | 0.602 | C | S | . | * | P | Polyproline II helix | trans | -64.7 | 142.6 | 173.7 | 29.9 | -36.9 | 0 | 0 | 0 | 111.4 | L602 P603 W606 | L602-P632 HydrophobicContact CD2-CG 4.42Å; P603-P632 HydrophobicContact CG-CG 3.91Å; W606-P632 HydrophobicContact CD2-CB 4.26Å; W606-P632 HydrophobicContact CD2-CG 3.68Å; W606-P632 HydrophobicContact CE3-CG 4.19Å; W606-P632 HydrophobicContact CG-CG 3.92Å; W606-P632 HydrophobicContact CH2-CB 4.23Å; W606-P632 HydrophobicContact CZ2-CB 3.8Å; W606-P632 HydrophobicContact CZ2-CG 4.17Å |
| 633 | E | 51.6 | Low | 48.5 | Very low | 183 Ų | 183 | 110.4 Ų | 110.4 | 86% | 0.855 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.6 | 174 | -64.5 | -177 | 164.3 | 0 | 0 | 110.4 | T635 | E633-T635 PolarHBondContact O-N 3.39Š|
| 634 | V | 42.9 | Very low | 46.9 | Very low | 110 Ų | 110 | 111.2 Ų | 111.2 | 67% | 0.667 | 63% | 0.628 | S | S | * | * | trans | -95.4 | 86.7 | -177.1 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | P603 V636 | P603-V634 HydrophobicContact CG-CG2 4.32Å; V634-V636 PolarHBondContact O-N 3.28Å | ||
| 635 | T | 35.5 | Very low | 45.3 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 119.4 | 175.7 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | E633 P637 | E633-T635 PolarHBondContact O-N 3.39Å; T635-P637 WeakPolarHBondContact O-CD 3.45Å |
| 636 | V | 31 | Very low | 43.6 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 78% | 0.776 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.5 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | V634 Q638 | V634-V636 PolarHBondContact O-N 3.28Å; V636-Q638 PolarHBondContact O-N 2.91Å |
| 637 | P | 32.1 | Very low | 42.1 | Very low | 116 Ų | 116 | 112.5 Ų | 112.5 | 75% | 0.753 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126.2 | 175.8 | -19.1 | 32.5 | 0 | 0 | 0 | 111.5 | T635 | T635-P637 WeakPolarHBondContact O-CD 3.45Š|
| 638 | Q | 33.3 | Very low | 40.1 | Very low | 189 Ų | 189 | 118.2 Ų | 118.2 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -79 | 136.8 | 166.6 | -70.8 | -172 | -10.7 | 0 | 0 | 110.3 | V636 | V636-Q638 PolarHBondContact O-N 2.91Š|
| 639 | T | 34 | Very low | 38.5 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 130.9 | 179.8 | 47 | 0 | 0 | 0 | 0 | 112 | ||
| 640 | P | 34.7 | Very low | 37.2 | Very low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 145.3 | 174 | 31.2 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 641 | P | 36.1 | Very low | 35.8 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 143.9 | 176.2 | 33.5 | -34 | 0 | 0 | 0 | 112.4 | ||
| 642 | S | 31.4 | Very low | 34.3 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -115.3 | 109 | -179.4 | -69.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 643 | T | 31.9 | Very low | 33 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | 65.8 | 163.1 | 153.7 | 70 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 644 | P | 33.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | cis | -130.1 | 163.8 | -49.8 | 36.8 | -23.2 | 0 | 0 | 0 | 112.9 | ||||
| 645 | P | 32.8 | Very low | 32 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 154.5 | 179.1 | 33.2 | -35.7 | 0 | 0 | 0 | 114.3 | ||
| 646 | T | 33.6 | Very low | 31.6 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 152.2 | -176.9 | -27.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 647 | A | 27 | Very low | 32.8 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 146.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 648 | K | 28.8 | Very low | 32.5 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -123.1 | 147.2 | 154.1 | -80.2 | -171.8 | 175.4 | -176.5 | 0 | 109.5 | ||||
| 649 | P | 33.3 | Very low | 32.2 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -76.8 | 174.5 | 169.7 | 33.2 | -35 | 0 | 0 | 0 | 112.8 | ||||
| 650 | R | 25.8 | Very low | 31.9 | Very low | 236 Ų | 236 | 135.8 Ų | 135.8 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -48.9 | 161.1 | 168.6 | -68.6 | 173.8 | 173.6 | 170.7 | -3.9 | 112.9 | ||||
| 651 | S | 26.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | cis | -166.8 | 163.9 | 11.6 | 15.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 652 | Q | 29.1 | Very low | 31.2 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | 78.2 | 154.2 | 144.3 | -80.5 | 166.6 | -22 | 0 | 0 | 122.4 | ||||
| 653 | K | 28.1 | Very low | 31 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -86.3 | 177.4 | 177.7 | -86.7 | -176.6 | 176.4 | -175.3 | 0 | 111.2 | ||||
| 654 | P | 44.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | cis | -139.9 | -169.9 | -32.9 | 38.4 | -20.3 | 0 | 0 | 0 | 113.6 | ||||
| 655 | A | 27.5 | Very low | 30.7 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 84.5 | 158 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 656 | E | 27.1 | Very low | 30.6 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -102.1 | -175.6 | -176.1 | -52.2 | -178.1 | 149.8 | 0 | 0 | 110.9 | ||||
| 657 | P | 56.6 | Low | 30.4 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | cis | -128.9 | -165.5 | -28.9 | 20.7 | 3.7 | 0 | 0 | 0 | 112.1 | ||||
| 658 | D | 27 | Very low | 30.5 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | 103.9 | 132.2 | 126.7 | -139.1 | 4.8 | 0 | 0 | 0 | 121.1 | |||||
| 659 | T | 26.8 | Very low | 30.6 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | 55.9 | 160.4 | 167.1 | 64.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 660 | S | 26.5 | Very low | 30.5 | Very low | 87 Ų | 87 | 147.3 Ų | 147.3 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | cis | -171 | 162.8 | -34.7 | 62 | 0 | 0 | 0 | 0 | 109 | ||||
| 661 | H | 29 | Very low | 30.9 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | 62.3 | 157.4 | 170.3 | -74.2 | -94.6 | 0 | 0 | 0 | 116.9 | ||||
| 662 | E | 27 | Very low | 31.1 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 54% | 0.542 | 75% | 0.746 | S | S | . | * | cis | -163.7 | 148.4 | -34.2 | -126.6 | -169.4 | 131.8 | 0 | 0 | 109.5 | ||||
| 663 | R | 28.4 | Very low | 31.4 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | trans | 64.5 | 161.8 | 157.6 | -61.1 | 178.9 | -158.4 | -168.6 | 12.1 | 117.1 | ||||
| 664 | E | 29.4 | Very low | 31.5 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 58% | 0.579 | 73% | 0.732 | S | S | * | * | cis | -151.7 | 157.6 | -10.1 | -129.9 | 177.2 | -108.4 | 0 | 0 | 110.6 | ||||
| 665 | R | 29.6 | Very low | 31 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | trans | 66.1 | 158.4 | 157.8 | -67.8 | 166 | -176.6 | -107.1 | 4.9 | 118.1 | ||||
| 666 | E | 29.8 | Very low | 31.2 | Very low | 151 Ų | 151 | 149 Ų | 149 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | cis | -138.9 | -175 | -1.7 | -139.5 | 150.2 | -125.3 | 0 | 0 | 113.5 | ||||
| 667 | Q | 29.6 | Very low | 31.9 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -106.6 | 147.5 | -156.8 | -54.3 | 173.4 | -2.4 | 0 | 0 | 115.7 | ||||
| 668 | S | 30.3 | Very low | 31.2 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | 167.2 | 155.3 | 129.5 | 46.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 669 | K | 30.8 | Very low | 32.2 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | cis | -165.1 | 149.7 | -26.9 | -111.8 | 165.1 | -174 | 170 | 0 | 109.5 | ||||
| 670 | L | 30.5 | Very low | 32.9 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | trans | 70.1 | 123.2 | 167.6 | -83.6 | 75.5 | 0 | 0 | 0 | 117.5 | ||||
| 671 | K | 34.1 | Very low | 33.7 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 81% | 0.809 | 73% | 0.731 | S | S | * | * | 66.4 | 138.1 | 87.9 | -66.2 | -177.4 | -173.2 | 176.4 | 0 | 113.2 | |||||
| 672 | R | 32.7 | Very low | 34.5 | Very low | 232 Ų | 232 | 148.1 Ų | 148.1 | 88% | 0.875 | 73% | 0.729 | S | S | * | * | cis | -160.8 | 165.4 | 9.4 | -136.8 | -164.4 | 164.2 | -171.2 | -3.9 | 106.9 | ||||
| 673 | S | 33.9 | Very low | 35.4 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | cis | -160.4 | 167.8 | -0.6 | -5.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 674 | Y | 31 | Very low | 36.2 | Very low | 239 Ų | 239 | 142.9 Ų | 142.9 | 94% | 0.937 | 73% | 0.729 | S | S | * | * | trans | -134.4 | 154.5 | 159.7 | -92 | -90.8 | 0 | 0 | 0 | 110.1 | ||||
| 675 | S | 33.8 | Very low | 36.8 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -154 | 103.5 | 178.8 | -63.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 676 | S | 31.8 | Very low | 37.6 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | -178.9 | 134.7 | 138.7 | -77.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 677 | P | 42.5 | Very low | 38.2 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | trans | -91.9 | 162.2 | -176.7 | 36.1 | -34.8 | 0 | 0 | 0 | 113.7 | ||||
| 678 | D | 40.8 | Very low | 38.7 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | trans | -94.5 | 133.6 | 171.7 | -172.3 | -15.3 | 0 | 0 | 0 | 110.2 | S680 | D678-S680 VanDerWaalsContact C-N 3.35Å; D678-S680 VanDerWaalsContact OD1-CB 3.24Å; D678-S680 WeakPolarHBondContact OD1-CB 3.42Å; D678-S680 PolarHBondContact OD1-N 3.27Å; D678-S680 PolarHBondContact OD1-OG 3.04Å | ||
| 679 | I | 47.6 | Very low | 39.3 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -86.8 | -7.9 | -174.9 | -65.6 | 171 | 0 | 0 | 0 | 111.7 | Q681 | I679-Q681 PolarHBondContact O-N 3.31Š| ||
| 680 | S | 42.3 | Very low | 39.4 | Very low | 82 Ų | 82 | 146 Ų | 146 | 57% | 0.573 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -13.3 | -169.7 | -56 | 0 | 0 | 0 | 0 | 116 | D678 | D678-S680 VanDerWaalsContact C-N 3.35Å; D678-S680 VanDerWaalsContact OD1-CB 3.24Å; D678-S680 WeakPolarHBondContact OD1-CB 3.42Å; D678-S680 PolarHBondContact OD1-N 3.27Å; D678-S680 PolarHBondContact OD1-OG 3.04Å |
| 681 | Q | 43.2 | Very low | 39.6 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -37 | -175.7 | -69.9 | -172.1 | -36.3 | 0 | 0 | 114.8 | I679 V683 S684 | I679-Q681 PolarHBondContact O-N 3.31Å; Q681-V683 VanDerWaalsContact C-N 3.29Å; Q681-V683 PolarHBondContact O-N 3.39Å; Q681-S684 PolarHBondContact O-N 2.86Å; Q681-S684 VanDerWaalsContact O-N 3.11Å |
| 682 | E | 45.3 | Very low | 39.5 | Very low | 154 Ų | 154 | 144 Ų | 144 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -63.5 | -33.5 | -175.9 | -65.8 | -174.6 | 141.6 | 0 | 0 | 112.8 | S684 E685 | E682-S684 PolarHBondContact O-N 3.21Å; E682-E685 PolarHBondContact O-N 2.95Å |
| 683 | V | 45.8 | Very low | 39.5 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -65.7 | -21.8 | 179 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | Q681 | Q681-V683 VanDerWaalsContact C-N 3.29Å; Q681-V683 PolarHBondContact O-N 3.39Å |
| 684 | S | 44.6 | Very low | 40.2 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -85.9 | -27.9 | -178.1 | -63.2 | 0 | 0 | 0 | 0 | 113.4 | Q681 E682 | Q681-S684 PolarHBondContact O-N 2.86Å; Q681-S684 VanDerWaalsContact O-N 3.11Å; E682-S684 PolarHBondContact O-N 3.21Å |
| 685 | E | 43.6 | Very low | 40.3 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -84.7 | -28.7 | -177.6 | -62.8 | -158.9 | 142.4 | 0 | 0 | 113.3 | E682 A687 | E682-E685 PolarHBondContact O-N 2.95Å; E685-A687 PolarHBondContact O-N 3.25Å |
| 686 | E | 44.8 | Very low | 40.2 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -67.9 | -21.1 | 179.4 | -163.8 | 168.8 | -152.1 | 0 | 0 | 112.8 | Q688 | E686-Q688 PolarHBondContact O-N 3.15Š|
| 687 | A | 42.9 | Very low | 40.4 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -75.2 | -15.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E685 | E685-A687 PolarHBondContact O-N 3.25Š|
| 688 | Q | 41.3 | Very low | 39.9 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -108.8 | 8.5 | -170 | -69.3 | -162.2 | -8.1 | 0 | 0 | 116.2 | E686 | E686-Q688 PolarHBondContact O-N 3.15Š|
| 689 | K | 41.2 | Very low | 40.1 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -130.4 | 81.3 | 179.3 | -80.6 | 179.9 | 176.6 | 166.1 | 0 | 114.5 | ||||
| 690 | K | 33.2 | Very low | 39.7 | Very low | 202 Ų | 202 | 133.9 Ų | 133.9 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -169.3 | 88.4 | 152.7 | -105.7 | 147.6 | -171.4 | 167.4 | 0 | 113.3 | ||||
| 691 | T | 35 | Very low | 39.5 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -148 | 68 | 170.8 | 5.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 692 | T | 33.3 | Very low | 39.4 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 93% | 0.933 | 80% | 0.795 | S | S | * | * | trans | -171.5 | 159.7 | 161.9 | 6.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 693 | A | 31.2 | Very low | 39.5 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -142 | -177.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 694 | P | 48.1 | Very low | 39.7 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | cis | -140.9 | -167.8 | 3.7 | 40.7 | -19.3 | 0 | 0 | 0 | 116.1 | ||||
| 695 | T | 33.5 | Very low | 40.1 | Very low | 133 Ų | 133 | 142 Ų | 142 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | 58.8 | 104.9 | 153.8 | 47.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 696 | A | 32.3 | Very low | 40.4 | Very low | 110 Ų | 110 | 142 Ų | 142 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | -167.2 | 149 | 118.6 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 697 | A | 35.3 | Very low | 40.5 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -120.7 | 143.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 698 | A | 32.3 | Very low | 40.4 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -136.8 | 150.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 699 | V | 44.4 | Very low | 40.3 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -99 | 142.1 | -160.6 | 179.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 700 | I | 40.8 | Very low | 40.1 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | -123.2 | 135 | 169 | -62.2 | 179 | 0 | 0 | 0 | 107.7 | ||||
| 701 | P | 37.5 | Very low | 40.2 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 140.6 | -168.6 | 28.3 | -35.9 | 0 | 0 | 0 | 114.1 | ||
| 702 | T | 41.8 | Very low | 40.3 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 118.8 | 177.4 | -45.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 703 | I | 46.2 | Very low | 40.3 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 116.3 | 168.9 | -62.7 | 177 | 0 | 0 | 0 | 108.5 | ||
| 704 | N | 49.5 | Very low | 40.4 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 63% | 0.626 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 137.2 | -176.6 | -157.4 | -2.9 | 0 | 0 | 0 | 111.3 | ||
| 705 | R | 53.1 | Low | 39.9 | Very low | 230 Ų | 230 | 141.7 Ų | 141.7 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -112.8 | 9.2 | -158 | -146.7 | 174.8 | -170.8 | 169.2 | 3.7 | 114.8 | ||||
| 706 | E | 49.7 | Very low | 39.9 | Very low | 165 Ų | 165 | 140 Ų | 140 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | trans | -91.3 | -14.6 | -163.4 | -60.7 | 179.7 | 161.8 | 0 | 0 | 114.3 | K708 | E706-K708 PolarHBondContact O-N 2.73Š| ||
| 707 | T | 48 | Very low | 40.1 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -91.6 | 16.7 | -173.3 | 51.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 708 | K | 41.3 | Very low | 40.2 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -80.1 | 121.6 | 177 | -171.3 | 176.3 | -179 | 179.8 | 0 | 110.6 | E706 | E706-K708 PolarHBondContact O-N 2.73Š| ||
| 709 | P | 37.8 | Very low | 40.4 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -63 | 140.3 | 179.6 | 25.5 | -34.2 | 0 | 0 | 0 | 111.6 | S711 | P709-S711 PolarHBondContact O-N 3.2Š| ||
| 710 | A | 38.8 | Very low | 40.4 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -65.7 | 116 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V712 | A710-V712 PolarHBondContact O-N 2.7Š| ||
| 711 | S | 35 | Very low | 40.7 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -68.4 | 128.6 | 175 | 53 | 0 | 0 | 0 | 0 | 110.9 | P709 | P709-S711 PolarHBondContact O-N 3.2Š| ||
| 712 | V | 35.6 | Very low | 41.9 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -45.7 | 145.8 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | A710 V714 | A710-V712 PolarHBondContact O-N 2.7Å; V712-V714 PolarHBondContact O-N 3.36Å | ||
| 713 | K | 34.4 | Very low | 43.5 | Very low | 210 Ų | 210 | 143 Ų | 143 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | trans | -55.5 | 89.3 | -176.9 | -69.9 | -177.2 | 177.6 | 179.3 | 0 | 112.8 | ||||
| 714 | V | 33.4 | Very low | 45.3 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -73 | 148 | 162.2 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | V712 | V712-V714 PolarHBondContact O-N 3.36Š|
| 715 | Y | 36.8 | Very low | 47 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 142.8 | 176.7 | -85.9 | -107.7 | 0 | 0 | 0 | 112 | K717 L1042 | Y715-K717 PolarHBondContact O-N 3.46Å; Y715-L1042 HydrophobicContact CE2-CD2 3.99Å |
| 716 | S | 33.1 | Very low | 48.6 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 128.9 | 173.5 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | V718 | S716-V718 VanDerWaalsContact C-N 3.28Å; S716-V718 PolarHBondContact O-N 3.1Å |
| 717 | K | 36.6 | Very low | 50.4 | Low | 204 Ų | 204 | 122.4 Ų | 122.4 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | trans | -68.7 | 84.1 | -178.9 | -170.2 | -172.5 | -177.4 | -168.1 | 0 | 110 | Y715 E719 | Y715-K717 PolarHBondContact O-N 3.46Å; K717-E719 PolarHBondContact O-N 3.41Å | ||
| 718 | V | 37.3 | Very low | 52.2 | Low | 87 Ų | 87 | 118 Ų | 118 | 53% | 0.527 | 64% | 0.644 | S | S | . | * | trans | -53.7 | 131.3 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | S716 S720 | S716-V718 VanDerWaalsContact C-N 3.28Å; S716-V718 PolarHBondContact O-N 3.1Å; V718-S720 PolarHBondContact O-N 3.41Å | ||
| 719 | E | 37.9 | Very low | 54.5 | Low | 188 Ų | 188 | 118.3 Ų | 118.3 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | trans | -74.6 | 71.4 | 170.5 | -70.9 | -168 | 115 | 0 | 0 | 109.7 | K717 V721 | K717-E719 PolarHBondContact O-N 3.41Å; E719-V721 PolarHBondContact O-N 3.08Å | ||
| 720 | S | 44.3 | Very low | 57.1 | Low | 85 Ų | 85 | 116.3 Ų | 116.3 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | trans | -60.2 | 105.7 | 171.3 | 60.6 | 0 | 0 | 0 | 0 | 108.4 | V718 R722 | V718-S720 PolarHBondContact O-N 3.41Å; S720-R722 PolarHBondContact O-N 2.9Å | ||
| 721 | V | 47 | Very low | 59.7 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 63% | 0.63 | 58% | 0.584 | S | S | * | * | trans | -48.3 | 114.8 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | E719 L723 | E719-V721 PolarHBondContact O-N 3.08Å; V721-L723 PolarHBondContact O-N 3.26Å | ||
| 722 | R | 62.5 | Low | 62.5 | Low | 233 Ų | 233 | 110.3 Ų | 110.3 | 88% | 0.879 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 126.9 | -166.1 | -153.6 | 175 | -170.8 | 178.1 | 1.3 | 109.3 | S720 S724 | S720-R722 PolarHBondContact O-N 2.9Å; R722-S724 PolarHBondContact O-N 3.03Å |
| 723 | L | 75.6 | Confident | 65.3 | Low | 28 Ų | 28 | 105.3 Ų | 105.3 | 15% | 0.147 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -46.2 | 130.4 | 172.8 | -82.2 | 144 | 0 | 0 | 0 | 109.9 | V721 V798 K801 A802 | V721-L723 PolarHBondContact O-N 3.26Å; L723-V798 HydrophobicContact CD2-CB 4.28Å; L723-V798 HydrophobicContact CD2-CG1 3.88Å; L723-V798 HydrophobicContact CD2-CG2 4.3Å; L723-K801 HydrophobicContact CD1-CB 4Å; L723-K801 HydrophobicContact CD2-CB 4.39Å; L723-K801 HydrophobicContact CG-CB 4.24Å; L723-A802 HydrophobicContact CD1-CB 4.1Å |
| 724 | S | 84.3 | Confident | 68.2 | Low | 62 Ų | 62 | 97.1 Ų | 97.1 | 43% | 0.434 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 145 | -174.4 | 75.1 | 0 | 0 | 0 | 0 | 111 | R722 A726 K727 L728 | R722-S724 PolarHBondContact O-N 3.03Å; S724-A726 PolarHBondContact O-N 2.9Å; S724-K727 PolarHBondContact O-N 3.33Å; S724-K727 PolarHBondContact OG-N 3.14Å; S724-L728 PolarHBondContact O-N 3.16Å |
| 725 | A | 84.4 | Confident | 71 | Confident | 76 Ų | 76 | 97.7 Ų | 97.7 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.8 | -17.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | R729 | A725-R729 VanDerWaalsContact O-CG 3.29Å; A725-R729 WeakPolarHBondContact O-CG 3.48Å; A725-R729 PolarHBondContact O-NE 2.81Å |
| 726 | A | 85.8 | Confident | 73.6 | Confident | 46 Ų | 46 | 91.2 Ų | 91.2 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.5 | -60.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S724 L728 R729 N730 | S724-A726 PolarHBondContact O-N 2.9Å; A726-L728 VanDerWaalsContact C-N 3.28Å; A726-L728 PolarHBondContact O-N 2.75Å; A726-R729 WeakPolarHBondContact O-CB 3.29Å; A726-R729 PolarHBondContact O-N 2.8Å; A726-N730 PolarHBondContact O-N 2.89Å; A726-N730 VanDerWaalsContact O-N 3.16Å; A726-N730 PolarHBondContact O-OD1 3.4Å |
| 727 | K | 88 | Confident | 76.2 | Confident | 58 Ų | 58 | 87.7 Ų | 87.7 | 25% | 0.252 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -36.5 | -177.4 | -67.5 | -171 | 171.7 | -144.2 | 0 | 112.4 | S724 R729 N730 L731 E795 V798 | S724-K727 PolarHBondContact O-N 3.33Å; S724-K727 PolarHBondContact OG-N 3.14Å; K727-R729 VanDerWaalsContact C-N 3.34Å; K727-R729 PolarHBondContact O-N 2.74Å; K727-N730 PolarHBondContact O-N 3Å; K727-L731 WeakPolarHBondContact O-CG 3.44Å; K727-L731 PolarHBondContact O-N 3.15Å; K727-L731 VanDerWaalsContact O-N 3.15Å; K727-E795 IonicContact NZ-OE1 2.81Å; K727-E795 PolarHBondContact NZ-OE1 3.33Å; K727-V798 HydrophobicContact CB-CG1 4.49Å; K727-V798 HydrophobicContact CD-CG2 3.59Å |
| 728 | L | 87.1 | Confident | 78.7 | Confident | 42 Ų | 42 | 82.5 Ų | 82.5 | 22% | 0.22 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.1 | -32.2 | 174.8 | -176 | 59.1 | 0 | 0 | 0 | 113.6 | S724 A726 P733 Y808 | S724-L728 PolarHBondContact O-N 3.16Å; A726-L728 VanDerWaalsContact C-N 3.28Å; A726-L728 PolarHBondContact O-N 2.75Å; L728-P733 HydrophobicContact CD1-CG 3.97Å; L728-P733 VanDerWaalsContact O-CD 3.23Å; L728-P733 WeakPolarHBondContact O-CD 3.42Å; L728-Y808 HydrophobicContact CD1-CE1 4.07Å; L728-Y808 HydrophobicContact CD1-CE2 4.4Å; L728-Y808 VanDerWaalsContact CD1-OH 3.28Å; L728-Y808 WeakPolarHBondContact CD1-OH 3.36Å |
| 729 | R | 88.4 | Confident | 81.3 | Confident | 187 Ų | 187 | 79.6 Ų | 79.6 | 71% | 0.706 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -70.8 | -43.8 | 174.2 | -77.8 | 179.3 | -66.4 | 162.8 | 3.4 | 111.2 | A725 A726 K727 L731 N732 | A725-R729 VanDerWaalsContact O-CG 3.29Å; A725-R729 WeakPolarHBondContact O-CG 3.48Å; A725-R729 PolarHBondContact O-NE 2.81Å; A726-R729 WeakPolarHBondContact O-CB 3.29Å; A726-R729 PolarHBondContact O-N 2.8Å; K727-R729 VanDerWaalsContact C-N 3.34Å; K727-R729 PolarHBondContact O-N 2.74Å; R729-L731 VanDerWaalsContact C-N 3.26Å; R729-L731 PolarHBondContact O-N 2.82Å; R729-N732 PolarHBondContact O-N 3.28Å |
| 730 | N | 91.8 | Very high | 84 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.7 | -34.7 | -179.3 | -63.5 | 5.5 | 0 | 0 | 0 | 112.3 | A726 K727 N732 D815 | A726-N730 PolarHBondContact O-N 2.89Å; A726-N730 VanDerWaalsContact O-N 3.16Å; A726-N730 PolarHBondContact O-OD1 3.4Å; K727-N730 PolarHBondContact O-N 3Å; N730-N732 PolarHBondContact O-N 3.13Å; N730-D815 VanDerWaalsContact CB-OD2 3.24Å; N730-D815 WeakPolarHBondContact CB-OD2 3.4Å; N730-D815 PolarHBondContact ND2-OD2 2.79Å |
| 731 | L | 93.7 | Very high | 86.4 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10.5 | 172.8 | -71.5 | 178 | 0 | 0 | 0 | 114.9 | K727 R729 V798 I799 A802 I811 S812 | K727-L731 WeakPolarHBondContact O-CG 3.44Å; K727-L731 PolarHBondContact O-N 3.15Å; K727-L731 VanDerWaalsContact O-N 3.15Å; R729-L731 VanDerWaalsContact C-N 3.26Å; R729-L731 PolarHBondContact O-N 2.82Å; L731-V798 HydrophobicContact CD1-CG1 3.96Å; L731-V798 HydrophobicContact CD2-CG1 4.33Å; L731-V798 HydrophobicContact CG-CG1 4.35Å; L731-I799 HydrophobicContact CD2-CD1 3.68Å; L731-A802 HydrophobicContact CD1-CB 3.66Å; L731-I811 HydrophobicContact CB-CB 4.45Å; L731-I811 HydrophobicContact CD2-CD1 4.35Å; L731-S812 PolarHBondContact O-N 2.88Å |
| 732 | N | 94.1 | Very high | 88.8 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | trans | 41.8 | 54.1 | 178 | -170.6 | 48.5 | 0 | 0 | 0 | 114.6 | R729 N730 | R729-N732 PolarHBondContact O-N 3.28Å; N730-N732 PolarHBondContact O-N 3.13Å | ||
| 733 | P | 95.1 | Very high | 90.5 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 139.5 | -168.2 | 29.3 | -37.2 | 0 | 0 | 0 | 113.1 | L728 F735 Y808 I811 | L728-P733 HydrophobicContact CD1-CG 3.97Å; L728-P733 VanDerWaalsContact O-CD 3.23Å; L728-P733 WeakPolarHBondContact O-CD 3.42Å; P733-F735 HydrophobicContact CG-CE2 4.21Å; P733-F735 HydrophobicContact CG-CZ 4.39Å; P733-Y808 HydrophobicContact CB-CD1 3.56Å; P733-Y808 HydrophobicContact CB-CE1 3.97Å; P733-Y808 HydrophobicContact CB-CG 4.03Å; P733-Y808 HydrophobicContact CG-CD1 4.39Å; P733-Y808 HydrophobicContact CG-CE1 4.35Å; P733-I811 HydrophobicContact CB-CG2 4.09Å |
| 734 | S | 95.3 | Very high | 91.6 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.4 | 159.1 | 180 | 0 | 0 | 0 | 0 | 108.3 | Y808 K809 C810 | S734-Y808 CarbonylContact O-C 3.55Å; S734-Y808 WeakPolarHBondContact O-CA 3.28Å; S734-Y808 WeakPolarHBondContact O-CB 3.49Å; S734-K809 PolarHBondContact O-N 3.38Å; S734-C810 PolarHBondContact N-O 3.44Å |
| 735 | F | 92.9 | Very high | 92.2 | Very high | 140 Ų | 140 | 47.5 Ų | 47.5 | 61% | 0.614 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 162.8 | 175.9 | -68.3 | -92.2 | 0 | 0 | 0 | 112.1 | P733 Y808 | P733-F735 HydrophobicContact CG-CE2 4.21Å; P733-F735 HydrophobicContact CG-CZ 4.39Å; F735-Y808 HydrophobicContact CD1-CD1 4Å; F735-Y808 HydrophobicContact CD1-CE1 4.02Å; F735-Y808 HydrophobicContact CE1-CD1 4.04Å; F735-Y808 AromaticContact CE1-CE1 3.6Å; F735-Y808 HydrophobicContact CE1-CE1 3.6Å; F735-Y808 HydrophobicContact CZ-CE1 4.1Å |
| 736 | G | 90 | Very high | 92.9 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | trans | 99.3 | 46.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L807 | G736-L807 PolarHBondContact N-O 2.91Š| ||
| 737 | G | 88.4 | Confident | 93.5 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | trans | -68.1 | 155 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G739 G806 L807 Y808 | G737-G739 VanDerWaalsContact C-N 3.32Å; G737-G806 WeakPolarHBondContact CA-O 3.45Å; G737-L807 PolarHBondContact N-O 2.81Å; G737-L807 VanDerWaalsContact N-O 3.11Å; G737-Y808 WeakPolarHBondContact CA-O 3.49Å | ||
| 738 | L | 88.5 | Confident | 93.9 | Very high | 95 Ų | 95 | 47 Ų | 47 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -90 | 4.8 | -177.6 | -61.2 | 176.3 | 0 | 0 | 0 | 113.4 | L742 K1043 | L738-L742 HydrophobicContact CB-CB 3.96Å; L738-L742 HydrophobicContact CB-CD1 4.3Å; L738-K1043 PolarHBondContact O-NZ 2.93Å |
| 739 | G | 92.2 | Very high | 94.1 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 126 | 172.5 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | G737 L742 G806 | G737-G739 VanDerWaalsContact C-N 3.32Å; G739-L742 WeakPolarHBondContact O-CB 3.38Å; G739-L742 PolarHBondContact O-N 3.28Å; G739-L742 VanDerWaalsContact O-N 3.14Å; G739-G806 WeakPolarHBondContact O-CA 3.41Å |
| 740 | A | 94.2 | Very high | 94.5 | Very high | 23 Ų | 23 | 41 Ų | 41 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 139.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L742 W804 N1040 L1042 | A740-L742 PolarHBondContact O-N 3.4Å; A740-W804 HydrophobicContact CB-CE3 3.89Å; A740-W804 HydrophobicContact CB-CZ3 4.41Å; A740-W804 WeakPolarHBondContact CB-O 3.48Å; A740-N1040 PolarHBondContact O-ND2 3.24Å; A740-L1042 HydrophobicContact CB-CD1 4.02Å |
| 741 | S | 95 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 7 | -170.6 | 102.8 | 0 | 0 | 0 | 0 | 116.3 | N763 L803 N1040 F1049 | S741-N763 WeakPolarHBondContact CB-OD1 3.44Å; S741-N763 PolarHBondContact OG-OD1 2.91Å; S741-L803 WeakPolarHBondContact CA-O 3.41Å; S741-L803 PolarHBondContact N-O 2.76Å; S741-N1040 PolarHBondContact OG-ND2 2.9Å; S741-F1049 WeakPolarHBondContact O-CE1 3.37Å; S741-F1049 VanDerWaalsContact O-CZ 3.28Å; S741-F1049 WeakPolarHBondContact O-CZ 3.45Å |
| 742 | L | 97.2 | Very high | 95 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -109.3 | 50.8 | 178.2 | -57.6 | 178.3 | 0 | 0 | 0 | 112 | L738 G739 A740 N1040 K1043 Y1047 F1049 V1054 | L738-L742 HydrophobicContact CB-CB 3.96Å; L738-L742 HydrophobicContact CB-CD1 4.3Å; G739-L742 WeakPolarHBondContact O-CB 3.38Å; G739-L742 PolarHBondContact O-N 3.28Å; G739-L742 VanDerWaalsContact O-N 3.14Å; A740-L742 PolarHBondContact O-N 3.4Å; L742-N1040 HydrophobicContact CD2-CB 4.04Å; L742-K1043 HydrophobicContact CD1-CD 3.91Å; L742-Y1047 HydrophobicContact CD1-CE2 4.28Å; L742-Y1047 HydrophobicContact CD2-CD1 4.04Å; L742-Y1047 HydrophobicContact CD2-CD2 3.48Å; L742-Y1047 VanDerWaalsContact CD2-CD2 3.48Å; L742-Y1047 HydrophobicContact CD2-CE1 4.49Å; L742-Y1047 HydrophobicContact CD2-CE2 3.95Å; L742-Y1047 HydrophobicContact CD2-CG 3.55Å; L742-F1049 HydrophobicContact CD2-CZ 4.08Å; L742-V1054 HydrophobicContact CB-CG1 4.47Å; L742-V1054 HydrophobicContact CD2-CG1 4.42Å | ||
| 743 | T | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -121.3 | 130.9 | -179.9 | -57.8 | 0 | 0 | 0 | 0 | 109.3 | Q759 L803 Y808 I811 | T743-Q759 PolarHBondContact O-NE2 2.94Å; T743-L803 HydrophobicContact CG2-CD2 3.67Å; T743-L803 WeakPolarHBondContact O-CD2 3.23Å; T743-L803 PolarHBondContact OG1-O 3.03Å; T743-Y808 WeakPolarHBondContact CG2-O 3.34Å; T743-Y808 PolarHBondContact OG1-O 3.48Å; T743-I811 HydrophobicContact CG2-CG2 4.14Å | ||
| 744 | G | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 162.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K809 C810 I811 D1051 | G744-K809 PolarHBondContact N-O 2.89Å; G744-C810 CarbonylContact O-C 3.53Å; G744-C810 WeakPolarHBondContact O-CA 3.32Å; G744-C810 WeakPolarHBondContact O-CB 3.29Å; G744-I811 PolarHBondContact O-N 2.92Å; G744-D1051 CarbonylContact C-O 3.33Å; G744-D1051 WeakPolarHBondContact CA-O 2.76Å |
| 745 | L | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117 | 174.7 | -68.9 | 171.4 | 0 | 0 | 0 | 109.6 | N747 N755 L758 Q759 I799 L803 I811 P813 D1051 H1052 | L745-N747 PolarHBondContact O-N 2.91Å; L745-N755 HydrophobicContact CB-CB 3.99Å; L745-N755 WeakPolarHBondContact CB-OD1 3.12Å; L745-N755 HydrophobicContact CD1-CB 4.28Å; L745-N755 PolarHBondContact O-ND2 2.87Å; L745-L758 HydrophobicContact CD1-CB 3.5Å; L745-L758 VanDerWaalsContact CD1-CB 3.5Å; L745-L758 HydrophobicContact CD1-CD1 3.87Å; L745-L758 HydrophobicContact CD1-CG 4.35Å; L745-Q759 HydrophobicContact CD1-CG 4.16Å; L745-I799 HydrophobicContact CD2-CG2 4.38Å; L745-L803 HydrophobicContact CD2-CD2 3.98Å; L745-L803 HydrophobicContact CG-CD2 4.28Å; L745-I811 CarbonylContact C-O 3.6Å; L745-I811 WeakPolarHBondContact CA-O 3.3Å; L745-I811 HydrophobicContact CD2-CD1 4Å; L745-I811 HydrophobicContact CD2-CG1 3.64Å; L745-P813 HydrophobicContact CD2-CB 4.36Å; L745-P813 HydrophobicContact CD2-CG 4.21Å; L745-D1051 PolarHBondContact N-O 3.17Å; L745-D1051 CarbonylContact O-C 3.36Å; L745-D1051 WeakPolarHBondContact O-CA 3.43Å; L745-D1051 WeakPolarHBondContact O-CB 3.42Å; L745-D1051 VanDerWaalsContact O-O 3.09Å; L745-H1052 PolarHBondContact O-N 3.05Å |
| 746 | R | 98.5 | Very high | 95.8 | Very high | 81 Ų | 81 | 24 Ų | 24 | 31% | 0.306 | 16% | 0.157 | S | C | . | . | trans | -63.2 | 135.7 | 179.4 | -58 | -164.7 | -161.1 | -111.7 | 7.5 | 111 | N755 I811 S812 H1052 | R746-N755 PolarHBondContact O-ND2 3.22Å; R746-I811 PolarHBondContact N-O 2.96Å; R746-S812 WeakPolarHBondContact CD-OG 3.39Å; R746-H1052 HydrophobicContact CG-CB 4.07Å | ||
| 747 | N | 97.5 | Very high | 96.2 | Very high | 58 Ų | 58 | 21.4 Ų | 21.4 | 31% | 0.31 | 13% | 0.13 | S | C | . | . | trans | -60.6 | 138 | 165.8 | -155.4 | -52.3 | 0 | 0 | 0 | 109.7 | L745 G749 N750 T751 D1051 | L745-N747 PolarHBondContact O-N 2.91Å; N747-G749 PolarHBondContact OD1-N 2.85Å; N747-N750 PolarHBondContact OD1-N 2.83Å; N747-T751 PolarHBondContact OD1-N 3.15Å; N747-D1051 HydrophobicContact CB-CB 4.29Å; N747-D1051 WeakPolarHBondContact CB-OD2 3.43Å; N747-D1051 PolarHBondContact ND2-OD2 3.06Å | ||
| 748 | L | 96.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 20.3 Ų | 20.3 | 17% | 0.168 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -113.8 | 16.8 | 179.2 | -53.8 | 177.8 | 0 | 0 | 0 | 112.4 | T751 P813 R814 K817 Y830 | L748-T751 HydrophobicContact CB-CG2 3.82Å; L748-T751 PolarHBondContact N-OG1 3.38Å; L748-P813 HydrophobicContact CD1-CG 4.21Å; L748-R814 HydrophobicContact CD1-CG 4.21Å; L748-R814 HydrophobicContact CD2-CG 4.28Å; L748-K817 HydrophobicContact CD1-CB 4.04Å; L748-K817 HydrophobicContact CD1-CG 4.34Å; L748-Y830 WeakPolarHBondContact O-CD1 3.34Å; L748-Y830 WeakPolarHBondContact O-CE1 3.45Å |
| 749 | G | 93.1 | Very high | 97.1 | Very high | 31 Ų | 31 | 15.9 Ų | 15.9 | 32% | 0.32 | 10% | 0.095 | S | C | . | . | S | Bend | trans | 107.8 | 96.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | N747 T751 | N747-G749 PolarHBondContact OD1-N 2.85Å; G749-T751 VanDerWaalsContact O-CG2 3.32Å; G749-T751 WeakPolarHBondContact O-CG2 3.28Å; G749-T751 PolarHBondContact O-N 3.33Å |
| 750 | N | 96.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 14.7 Ų | 14.7 | 37% | 0.374 | 8% | 0.083 | S | C | . | . | S | Bend | trans | 51.3 | 13.7 | -173.4 | -67.3 | -45.6 | 0 | 0 | 0 | 116.7 | N747 C752 Y753 Y830 Q832 | N747-N750 PolarHBondContact OD1-N 2.83Å; N750-C752 PolarHBondContact O-N 3.41Å; N750-Y753 VanDerWaalsContact O-CD1 3.24Å; N750-Y753 WeakPolarHBondContact O-CD1 3.37Å; N750-Y753 WeakPolarHBondContact O-CE1 3.17Å; N750-Y830 VanDerWaalsContact CB-O 3.31Å; N750-Y830 WeakPolarHBondContact CB-O 3.45Å; N750-Y830 PolarHBondContact ND2-O 2.92Å; N750-Q832 HydrophobicContact CB-CG 4.02Å; N750-Q832 PolarHBondContact OD1-NE2 2.89Å |
| 751 | T | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 17.6 | -175.6 | 71.7 | 0 | 0 | 0 | 0 | 114.8 | N747 L748 G749 Y753 M754 N755 K817 | N747-T751 PolarHBondContact OD1-N 3.15Å; L748-T751 HydrophobicContact CB-CG2 3.82Å; L748-T751 PolarHBondContact N-OG1 3.38Å; G749-T751 VanDerWaalsContact O-CG2 3.32Å; G749-T751 WeakPolarHBondContact O-CG2 3.28Å; G749-T751 PolarHBondContact O-N 3.33Å; T751-Y753 VanDerWaalsContact C-N 3.26Å; T751-Y753 PolarHBondContact O-N 2.87Å; T751-M754 WeakPolarHBondContact O-CB 3.14Å; T751-M754 PolarHBondContact O-N 3.06Å; T751-M754 VanDerWaalsContact O-N 3.13Å; T751-N755 PolarHBondContact O-N 3.46Å; T751-N755 PolarHBondContact O-ND2 3.34Å; T751-K817 HydrophobicContact CG2-CD 4.11Å |
| 752 | C | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.3 | -34.3 | 179.2 | 61.4 | 0 | 0 | 0 | 0 | 112.2 | N750 M754 N755 S756 Q832 H1033 Y1034 D1051 | N750-C752 PolarHBondContact O-N 3.41Å; C752-M754 VanDerWaalsContact C-N 3.32Å; C752-M754 PolarHBondContact O-N 2.75Å; C752-N755 PolarHBondContact O-N 3.39Å; C752-S756 PolarHBondContact O-N 2.7Å; C752-Q832 PolarHBondContact SG-NE2 3.44Å; C752-Q832 PolarHBondContact SG-OE1 3.25Å; C752-Q832 VanDerWaalsContact SG-OE1 3.38Å; C752-H1033 WeakPolarHBondContact CB-ND1 3.44Å; C752-H1033 PolarHBondContact SG-ND1 3.33Å; C752-Y1034 PolarHBondContact SG-N 2.95Å; C752-Y1034 VanDerWaalsContact SG-N 3.41Å; C752-D1051 WeakPolarHBondContact CA-OD1 3.41Å |
| 753 | Y | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -54.7 | -49 | 172.3 | 68.5 | -90.1 | 0 | 0 | 0 | 110.9 | N750 T751 S756 I757 F827 Q833 L838 | N750-Y753 VanDerWaalsContact O-CD1 3.24Å; N750-Y753 WeakPolarHBondContact O-CD1 3.37Å; N750-Y753 WeakPolarHBondContact O-CE1 3.17Å; T751-Y753 VanDerWaalsContact C-N 3.26Å; T751-Y753 PolarHBondContact O-N 2.87Å; Y753-S756 PolarHBondContact O-N 2.94Å; Y753-S756 PolarHBondContact O-OG 2.67Å; Y753-I757 PolarHBondContact O-N 2.81Å; Y753-F827 AromaticContact CE2-CD1 3.93Å; Y753-F827 HydrophobicContact CE2-CD1 3.93Å; Y753-F827 HydrophobicContact CE2-CE1 4.34Å; Y753-Q833 HydrophobicContact CD1-CB 3.93Å; Y753-Q833 HydrophobicContact CD2-CB 4Å; Y753-Q833 HydrophobicContact CE1-CB 3.74Å; Y753-Q833 HydrophobicContact CE1-CG 3.89Å; Y753-Q833 HydrophobicContact CE2-CB 3.85Å; Y753-Q833 HydrophobicContact CE2-CG 4.34Å; Y753-Q833 HydrophobicContact CG-CB 4.06Å; Y753-L838 HydrophobicContact CD2-CB 4.14Å; Y753-L838 HydrophobicContact CD2-CD2 3.78Å; Y753-L838 HydrophobicContact CE2-CB 4.29Å; Y753-L838 HydrophobicContact CE2-CD2 3.89Å; Y753-L838 HydrophobicContact CE2-CG 4.48Å |
| 754 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 178.3 | -175.8 | -169.7 | 74.7 | 0 | 0 | 112.3 | T751 C752 S756 I757 L758 P813 F816 K817 I820 L838 | T751-M754 WeakPolarHBondContact O-CB 3.14Å; T751-M754 PolarHBondContact O-N 3.06Å; T751-M754 VanDerWaalsContact O-N 3.13Å; C752-M754 VanDerWaalsContact C-N 3.32Å; C752-M754 PolarHBondContact O-N 2.75Å; M754-S756 VanDerWaalsContact C-N 3.31Å; M754-S756 PolarHBondContact O-N 3.43Å; M754-I757 PolarHBondContact O-N 2.87Å; M754-L758 HydrophobicContact CE-CD1 4.31Å; M754-L758 HydrophobicContact CG-CD1 3.92Å; M754-L758 HydrophobicContact CG-CG 4.38Å; M754-L758 WeakPolarHBondContact O-CB 3.47Å; M754-L758 WeakPolarHBondContact O-CG 3.43Å; M754-L758 PolarHBondContact O-N 3.34Å; M754-L758 HydrophobicContact SD-CD1 4.49Å; M754-P813 HydrophobicContact CE-CB 4.01Å; M754-P813 HydrophobicContact CE-CG 3.43Å; M754-P813 VanDerWaalsContact CE-CG 3.43Å; M754-F816 HydrophobicContact CG-CD1 4.46Å; M754-F816 HydrophobicContact CG-CE1 4.07Å; M754-F816 HydrophobicContact SD-CD1 3.8Å; M754-F816 HydrophobicContact SD-CE1 3.93Å; M754-K817 HydrophobicContact CE-CB 4.24Å; M754-K817 HydrophobicContact SD-CB 4.14Å; M754-K817 HydrophobicContact SD-CD 4.03Å; M754-I820 HydrophobicContact CG-CD1 4.34Å; M754-I820 HydrophobicContact SD-CD1 3.7Å; M754-L838 HydrophobicContact CB-CD2 3.63Å; M754-L838 HydrophobicContact CG-CD2 3.75Å |
| 755 | N | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 178.1 | -67 | -20.5 | 0 | 0 | 0 | 111.1 | L745 R746 T751 C752 Q759 D1051 | L745-N755 HydrophobicContact CB-CB 3.99Å; L745-N755 WeakPolarHBondContact CB-OD1 3.12Å; L745-N755 HydrophobicContact CD1-CB 4.28Å; L745-N755 PolarHBondContact O-ND2 2.87Å; R746-N755 PolarHBondContact O-ND2 3.22Å; T751-N755 PolarHBondContact O-N 3.46Å; T751-N755 PolarHBondContact O-ND2 3.34Å; C752-N755 PolarHBondContact O-N 3.39Å; N755-Q759 VanDerWaalsContact O-CG 3.23Å; N755-Q759 WeakPolarHBondContact O-CG 3.36Å; N755-Q759 PolarHBondContact O-N 2.89Å; N755-D1051 WeakPolarHBondContact CB-OD1 3.43Å; N755-D1051 PolarHBondContact ND2-OD1 3.37Å |
| 756 | S | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 176.6 | 81.2 | 0 | 0 | 0 | 0 | 112.8 | C752 Y753 M754 C760 S1023 | C752-S756 PolarHBondContact O-N 2.7Å; Y753-S756 PolarHBondContact O-N 2.94Å; Y753-S756 PolarHBondContact O-OG 2.67Å; M754-S756 VanDerWaalsContact C-N 3.31Å; M754-S756 PolarHBondContact O-N 3.43Å; S756-C760 PolarHBondContact O-N 3.39Å; S756-C760 VanDerWaalsContact O-N 3.13Å; S756-C760 PolarHBondContact O-SG 3.45Å; S756-S1023 WeakPolarHBondContact CB-OG 3.29Å; S756-S1023 PolarHBondContact OG-OG 3.21Å |
| 757 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69 | -43.9 | 179.6 | -65.4 | -54.2 | 0 | 0 | 0 | 111.3 | Y753 M754 Q759 C760 L761 S835 L838 L839 L842 I1069 F1071 | Y753-I757 PolarHBondContact O-N 2.81Å; M754-I757 PolarHBondContact O-N 2.87Å; I757-Q759 VanDerWaalsContact C-N 3.34Å; I757-Q759 PolarHBondContact O-N 3.1Å; I757-C760 PolarHBondContact O-N 3.24Å; I757-L761 HydrophobicContact CG2-CD1 3.71Å; I757-L761 HydrophobicContact CG2-CG 4.24Å; I757-L761 WeakPolarHBondContact O-CB 3.45Å; I757-L761 WeakPolarHBondContact O-CG 3.22Å; I757-L761 PolarHBondContact O-N 2.9Å; I757-S835 WeakPolarHBondContact CD1-O 2.97Å; I757-S835 WeakPolarHBondContact CG1-O 3.48Å; I757-L838 HydrophobicContact CB-CD2 4.35Å; I757-L838 HydrophobicContact CG1-CD2 4.47Å; I757-L839 HydrophobicContact CD1-CB 3.99Å; I757-L839 HydrophobicContact CD1-CD2 4.38Å; I757-L839 HydrophobicContact CG1-CB 4.39Å; I757-L839 HydrophobicContact CG2-CB 4.31Å; I757-L839 HydrophobicContact CG2-CD1 3.98Å; I757-L842 HydrophobicContact CG2-CD2 4.24Å; I757-I1069 HydrophobicContact CD1-CD1 3.99Å; I757-F1071 HydrophobicContact CD1-CZ 4.43Å |
| 758 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 176.7 | -75 | 173.6 | 0 | 0 | 0 | 111.6 | L745 M754 C762 F796 I799 P813 F816 L842 | L745-L758 HydrophobicContact CD1-CB 3.5Å; L745-L758 VanDerWaalsContact CD1-CB 3.5Å; L745-L758 HydrophobicContact CD1-CD1 3.87Å; L745-L758 HydrophobicContact CD1-CG 4.35Å; M754-L758 HydrophobicContact CE-CD1 4.31Å; M754-L758 HydrophobicContact CG-CD1 3.92Å; M754-L758 HydrophobicContact CG-CG 4.38Å; M754-L758 WeakPolarHBondContact O-CB 3.47Å; M754-L758 WeakPolarHBondContact O-CG 3.43Å; M754-L758 PolarHBondContact O-N 3.34Å; M754-L758 HydrophobicContact SD-CD1 4.49Å; L758-C762 WeakPolarHBondContact O-CB 3.22Å; L758-C762 PolarHBondContact O-N 3.03Å; L758-C762 PolarHBondContact O-SG 3.01Å; L758-F796 HydrophobicContact CD2-CD2 3.94Å; L758-F796 HydrophobicContact CD2-CE2 3.95Å; L758-I799 HydrophobicContact CD2-CG2 4.42Å; L758-P813 HydrophobicContact CD1-CB 4.32Å; L758-F816 HydrophobicContact CD1-CD1 3.99Å; L758-F816 HydrophobicContact CD1-CE1 3.93Å; L758-F816 HydrophobicContact CD2-CD1 4.44Å; L758-F816 HydrophobicContact CD2-CE1 3.86Å; L758-F816 HydrophobicContact CD2-CE2 4.41Å; L758-F816 HydrophobicContact CD2-CZ 3.84Å; L758-F816 HydrophobicContact CG-CE1 4.21Å; L758-L842 HydrophobicContact CD2-CD2 4.33Å |
| 759 | Q | 98.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.7 | -67.3 | -67.9 | 5.8 | 0 | 0 | 112.5 | T743 L745 N755 I757 N763 A1036 F1049 | T743-Q759 PolarHBondContact O-NE2 2.94Å; L745-Q759 HydrophobicContact CD1-CG 4.16Å; N755-Q759 VanDerWaalsContact O-CG 3.23Å; N755-Q759 WeakPolarHBondContact O-CG 3.36Å; N755-Q759 PolarHBondContact O-N 2.89Å; I757-Q759 VanDerWaalsContact C-N 3.34Å; I757-Q759 PolarHBondContact O-N 3.1Å; Q759-N763 PolarHBondContact O-N 3.37Å; Q759-N763 PolarHBondContact O-ND2 3.29Å; Q759-A1036 HydrophobicContact CB-CB 3.7Å; Q759-A1036 HydrophobicContact CG-CB 4.48Å; Q759-F1049 HydrophobicContact CB-CB 4.42Å; Q759-F1049 HydrophobicContact CB-CG 4.37Å; Q759-F1049 HydrophobicContact CG-CB 3.87Å; Q759-F1049 HydrophobicContact CG-CD1 4.04Å; Q759-F1049 HydrophobicContact CG-CG 4Å |
| 760 | C | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.6 | -48.2 | 178.1 | -63 | 0 | 0 | 0 | 0 | 111.9 | S756 I757 N763 T764 A1021 F1071 | S756-C760 PolarHBondContact O-N 3.39Å; S756-C760 VanDerWaalsContact O-N 3.13Å; S756-C760 PolarHBondContact O-SG 3.45Å; I757-C760 PolarHBondContact O-N 3.24Å; C760-N763 PolarHBondContact O-N 3.49Å; C760-T764 PolarHBondContact O-OG1 3.41Å; C760-A1021 HydrophobicContact CB-CB 3.81Å; C760-F1071 HydrophobicContact CB-CD1 3.84Å; C760-F1071 HydrophobicContact CB-CD2 3.78Å; C760-F1071 HydrophobicContact CB-CE1 3.52Å; C760-F1071 HydrophobicContact CB-CE2 3.46Å; C760-F1071 VanDerWaalsContact CB-CE2 3.46Å; C760-F1071 HydrophobicContact CB-CG 4Å; C760-F1071 HydrophobicContact CB-CZ 3.34Å |
| 761 | L | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 178.3 | -71.2 | 174.8 | 0 | 0 | 0 | 111.9 | I757 N763 T764 M767 F796 L839 L842 F892 F1071 | I757-L761 HydrophobicContact CG2-CD1 3.71Å; I757-L761 HydrophobicContact CG2-CG 4.24Å; I757-L761 WeakPolarHBondContact O-CB 3.45Å; I757-L761 WeakPolarHBondContact O-CG 3.22Å; I757-L761 PolarHBondContact O-N 2.9Å; L761-N763 PolarHBondContact O-N 3.46Å; L761-T764 WeakPolarHBondContact O-CB 3.35Å; L761-T764 PolarHBondContact O-N 2.91Å; L761-T764 PolarHBondContact O-OG1 2.99Å; L761-M767 HydrophobicContact CB-SD 4.5Å; L761-M767 HydrophobicContact CD2-SD 4.39Å; L761-F796 HydrophobicContact CB-CE2 4.2Å; L761-F796 HydrophobicContact CB-CZ 4.05Å; L761-F796 HydrophobicContact CD1-CE2 4.36Å; L761-L839 HydrophobicContact CD1-CD1 4.1Å; L761-L839 HydrophobicContact CD2-CD1 4.15Å; L761-L839 HydrophobicContact CG-CD1 4.3Å; L761-L842 HydrophobicContact CD1-CD2 3.67Å; L761-L842 HydrophobicContact CD1-CG 4.27Å; L761-F892 HydrophobicContact CD2-CE1 4.34Å; L761-F892 HydrophobicContact CD2-CZ 4.1Å; L761-F1071 HydrophobicContact CD2-CE1 4.08Å; L761-F1071 HydrophobicContact CG-CE1 4.38Å |
| 762 | C | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -69.6 | -16.4 | 178.9 | -65.8 | 0 | 0 | 0 | 0 | 113.8 | L758 M800 L803 W804 | L758-C762 WeakPolarHBondContact O-CB 3.22Å; L758-C762 PolarHBondContact O-N 3.03Å; L758-C762 PolarHBondContact O-SG 3.01Å; C762-M800 HydrophobicContact CB-CE 4.24Å; C762-M800 HydrophobicContact CB-SD 3.72Å; C762-L803 HydrophobicContact CB-CD1 3.78Å; C762-W804 PolarHBondContact O-NE1 3.4Å |
| 763 | N | 96.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 6% | 0.064 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 7 | 169.1 | -75.9 | -85.1 | 0 | 0 | 0 | 113.3 | S741 Q759 C760 L761 P765 Y1020 C1038 | S741-N763 WeakPolarHBondContact CB-OD1 3.44Å; S741-N763 PolarHBondContact OG-OD1 2.91Å; Q759-N763 PolarHBondContact O-N 3.37Å; Q759-N763 PolarHBondContact O-ND2 3.29Å; C760-N763 PolarHBondContact O-N 3.49Å; L761-N763 PolarHBondContact O-N 3.46Å; N763-P765 WeakPolarHBondContact O-CD 3.37Å; N763-Y1020 WeakPolarHBondContact O-CD2 3.36Å; N763-C1038 HydrophobicContact CB-CB 4.03Å |
| 764 | T | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -73.9 | 122.3 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | C760 L761 M767 A768 F892 I972 Y1020 | C760-T764 PolarHBondContact O-OG1 3.41Å; L761-T764 WeakPolarHBondContact O-CB 3.35Å; L761-T764 PolarHBondContact O-N 2.91Å; L761-T764 PolarHBondContact O-OG1 2.99Å; T764-M767 HydrophobicContact CG2-CB 4.01Å; T764-M767 PolarHBondContact O-N 3.49Å; T764-A768 PolarHBondContact O-N 3.17Å; T764-A768 VanDerWaalsContact O-N 3.12Å; T764-F892 HydrophobicContact CG2-CE1 4.29Å; T764-F892 HydrophobicContact CG2-CZ 3.91Å; T764-I972 HydrophobicContact CG2-CD1 4.05Å; T764-I972 HydrophobicContact CG2-CG1 3.9Å; T764-I972 HydrophobicContact CG2-CG2 4.18Å; T764-Y1020 VanDerWaalsContact CA-CE2 3.49Å; T764-Y1020 WeakPolarHBondContact CB-OH 2.95Å; T764-Y1020 HydrophobicContact CG2-CE2 4.46Å; T764-Y1020 VanDerWaalsContact CG2-OH 3.31Å; T764-Y1020 WeakPolarHBondContact CG2-OH 3.01Å; T764-Y1020 WeakPolarHBondContact OG1-CE2 3.48Å; T764-Y1020 PolarHBondContact OG1-OH 3.32Å | ||
| 765 | P | 86.5 | Confident | 95.8 | Very high | 40 Ų | 40 | 26.2 Ų | 26.2 | 26% | 0.26 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 148.8 | 174.6 | -24.4 | 34.6 | 0 | 0 | 0 | 112.4 | N763 M767 L1075 | N763-P765 WeakPolarHBondContact O-CD 3.37Å; P765-M767 PolarHBondContact O-N 3.38Å; P765-L1075 HydrophobicContact CB-CB 4.37Å |
| 766 | R | 93 | Very high | 95.7 | Very high | 154 Ų | 154 | 26.6 Ų | 26.6 | 58% | 0.581 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -38.2 | -173.6 | -53.2 | -54.3 | -172.8 | 111 | -0.4 | 115.9 | D769 Y770 L891 L1075 | R766-D769 WeakPolarHBondContact CA-OD2 3.07Å; R766-D769 PolarHBondContact N-OD2 2.81Å; R766-D769 PolarHBondContact O-N 2.98Å; R766-Y770 VanDerWaalsContact O-CB 3.25Å; R766-Y770 WeakPolarHBondContact O-CB 3.42Å; R766-Y770 PolarHBondContact O-N 2.85Å; R766-L891 HydrophobicContact CB-CD1 4.27Å; R766-L891 HydrophobicContact CB-CD2 4.13Å; R766-L1075 HydrophobicContact CG-CD1 3.91Å |
| 767 | M | 94.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 172.1 | -164.7 | -179 | -166.5 | 0 | 0 | 110.4 | L761 T764 P765 D769 Y770 F771 F796 M800 L846 I888 L891 F892 | L761-M767 HydrophobicContact CB-SD 4.5Å; L761-M767 HydrophobicContact CD2-SD 4.39Å; T764-M767 HydrophobicContact CG2-CB 4.01Å; T764-M767 PolarHBondContact O-N 3.49Å; P765-M767 PolarHBondContact O-N 3.38Å; M767-D769 PolarHBondContact O-N 3.39Å; M767-Y770 PolarHBondContact O-N 2.67Å; M767-F771 HydrophobicContact CE-CE2 4.08Å; M767-F771 HydrophobicContact CG-CD2 4.14Å; M767-F771 HydrophobicContact CG-CE2 4.11Å; M767-F771 WeakPolarHBondContact O-CD2 3.19Å; M767-F771 PolarHBondContact O-N 3.14Å; M767-F796 HydrophobicContact CE-CE1 3.67Å; M767-F796 HydrophobicContact CE-CZ 3.77Å; M767-F796 HydrophobicContact SD-CE1 4.41Å; M767-F796 HydrophobicContact SD-CZ 4.29Å; M767-M800 HydrophobicContact CG-CE 4.35Å; M767-L846 HydrophobicContact CE-CD1 3.77Å; M767-I888 HydrophobicContact CE-CD1 3.87Å; M767-L891 HydrophobicContact CB-CD1 4.03Å; M767-F892 HydrophobicContact CE-CE2 4.46Å; M767-F892 HydrophobicContact SD-CE2 3.97Å; M767-F892 HydrophobicContact SD-CZ 3.84Å |
| 768 | A | 93.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T764 Y770 F771 N772 M800 W804 | T764-A768 PolarHBondContact O-N 3.17Å; T764-A768 VanDerWaalsContact O-N 3.12Å; A768-Y770 PolarHBondContact O-N 3Å; A768-F771 PolarHBondContact O-N 3.22Å; A768-N772 VanDerWaalsContact O-CB 3.23Å; A768-N772 WeakPolarHBondContact O-CB 3.33Å; A768-N772 PolarHBondContact O-N 3.01Å; A768-N772 PolarHBondContact O-ND2 3.12Å; A768-M800 HydrophobicContact CB-CE 4.42Å; A768-M800 HydrophobicContact CB-SD 3.86Å; A768-W804 HydrophobicContact CB-CD2 4.44Å; A768-W804 HydrophobicContact CB-CZ2 3.7Å |
| 769 | D | 93.9 | Very high | 95.2 | Very high | 76 Ų | 76 | 40 Ų | 40 | 41% | 0.406 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.9 | -44.4 | -179.4 | -53 | -54.1 | 0 | 0 | 0 | 111.9 | R766 M767 N772 N773 | R766-D769 WeakPolarHBondContact CA-OD2 3.07Å; R766-D769 PolarHBondContact N-OD2 2.81Å; R766-D769 PolarHBondContact O-N 2.98Å; M767-D769 PolarHBondContact O-N 3.39Å; D769-N772 PolarHBondContact O-N 2.65Å; D769-N773 WeakPolarHBondContact O-CB 3.47Å; D769-N773 PolarHBondContact O-N 2.68Å; D769-N773 PolarHBondContact O-ND2 3.4Å |
| 770 | Y | 96.6 | Very high | 95.1 | Very high | 20 Ų | 20 | 41 Ų | 41 | 8% | 0.078 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | -178.9 | 172.3 | -96.8 | 0 | 0 | 0 | 113.2 | R766 M767 A768 L775 D779 L850 I887 | R766-Y770 VanDerWaalsContact O-CB 3.25Å; R766-Y770 WeakPolarHBondContact O-CB 3.42Å; R766-Y770 PolarHBondContact O-N 2.85Å; M767-Y770 PolarHBondContact O-N 2.67Å; A768-Y770 PolarHBondContact O-N 3Å; Y770-L775 HydrophobicContact CD2-CB 3.56Å; Y770-L775 HydrophobicContact CD2-CD1 4.18Å; Y770-L775 HydrophobicContact CD2-CG 4.48Å; Y770-L775 HydrophobicContact CE2-CB 3.9Å; Y770-L775 HydrophobicContact CG-CB 4.24Å; Y770-L775 PolarHBondContact O-N 2.94Å; Y770-L775 VanDerWaalsContact O-N 3.09Å; Y770-D779 WeakPolarHBondContact CE2-OD2 3.32Å; Y770-D779 WeakPolarHBondContact OH-CB 3.48Å; Y770-D779 VanDerWaalsContact OH-CG 3.26Å; Y770-D779 PolarHBondContact OH-OD2 2.81Å; Y770-L850 HydrophobicContact CE1-CD1 3.88Å; Y770-I887 VanDerWaalsContact CB-CD1 3.46Å; Y770-I887 HydrophobicContact CD1-CD1 3.62Å; Y770-I887 HydrophobicContact CD1-CG2 4.12Å; Y770-I887 HydrophobicContact CD2-CD1 3.68Å; Y770-I887 HydrophobicContact CE1-CB 4.26Å; Y770-I887 HydrophobicContact CE1-CD1 4.14Å; Y770-I887 HydrophobicContact CE1-CG2 3.61Å; Y770-I887 HydrophobicContact CE2-CB 4.35Å; Y770-I887 HydrophobicContact CE2-CD1 4.2Å; Y770-I887 HydrophobicContact CG-CD1 3.33Å |
| 771 | F | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.8 | -38.9 | 176.8 | -79.6 | -74.9 | 0 | 0 | 0 | 112.6 | M767 A768 N774 Y776 F796 M800 K801 L846 L850 | M767-F771 HydrophobicContact CE-CE2 4.08Å; M767-F771 HydrophobicContact CG-CD2 4.14Å; M767-F771 HydrophobicContact CG-CE2 4.11Å; M767-F771 WeakPolarHBondContact O-CD2 3.19Å; M767-F771 PolarHBondContact O-N 3.14Å; A768-F771 PolarHBondContact O-N 3.22Å; F771-N774 PolarHBondContact O-N 3.21Å; F771-Y776 HydrophobicContact CB-CD1 4.44Å; F771-Y776 AromaticContact CD1-CD1 3.57Å; F771-Y776 HydrophobicContact CD1-CD1 3.57Å; F771-Y776 AromaticContact CD1-CD2 3.9Å; F771-Y776 HydrophobicContact CD1-CD2 3.9Å; F771-Y776 HydrophobicContact CD1-CE1 4.01Å; F771-Y776 HydrophobicContact CD1-CE2 4.32Å; F771-Y776 AromaticContact CD1-CG 3.49Å; F771-Y776 HydrophobicContact CD1-CG 3.49Å; F771-Y776 VanDerWaalsContact CD1-CG 3.49Å; F771-Y776 HydrophobicContact CE1-CD1 4.23Å; F771-Y776 AromaticContact CE1-CD2 3.79Å; F771-Y776 HydrophobicContact CE1-CD2 3.79Å; F771-Y776 HydrophobicContact CE1-CE2 4.44Å; F771-Y776 AromaticContact CE1-CG 3.66Å; F771-Y776 HydrophobicContact CE1-CG 3.66Å; F771-Y776 HydrophobicContact CG-CD1 4.34Å; F771-Y776 WeakPolarHBondContact O-CE1 3.29Å; F771-F796 HydrophobicContact CD1-CD1 4.29Å; F771-F796 AromaticContact CD2-CD1 3.93Å; F771-F796 HydrophobicContact CD2-CD1 3.93Å; F771-F796 AromaticContact CD2-CE1 3.74Å; F771-F796 HydrophobicContact CD2-CE1 3.74Å; F771-F796 HydrophobicContact CE1-CD1 4Å; F771-F796 AromaticContact CE2-CD1 3.63Å; F771-F796 HydrophobicContact CE2-CD1 3.63Å; F771-F796 AromaticContact CE2-CE1 3.59Å; F771-F796 HydrophobicContact CE2-CE1 3.59Å; F771-F796 HydrophobicContact CG-CD1 4.27Å; F771-F796 HydrophobicContact CG-CE1 4.4Å; F771-F796 AromaticContact CZ-CD1 3.66Å; F771-F796 HydrophobicContact CZ-CD1 3.66Å; F771-F796 HydrophobicContact CZ-CE1 4.13Å; F771-M800 HydrophobicContact CB-CB 4.02Å; F771-M800 HydrophobicContact CB-CE 4.49Å; F771-M800 HydrophobicContact CB-CG 3.82Å; F771-M800 HydrophobicContact CD2-CE 4.2Å; F771-K801 WeakPolarHBondContact O-CE 3.28Å; F771-L846 HydrophobicContact CZ-CD2 4.24Å; F771-L850 HydrophobicContact CZ-CD1 3.91Å |
| 772 | N | 94.3 | Very high | 94.7 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.7 | -37 | 178.8 | -72.2 | -34.1 | 0 | 0 | 0 | 112.6 | A768 D769 N774 K801 W804 | A768-N772 VanDerWaalsContact O-CB 3.23Å; A768-N772 WeakPolarHBondContact O-CB 3.33Å; A768-N772 PolarHBondContact O-N 3.01Å; A768-N772 PolarHBondContact O-ND2 3.12Å; D769-N772 PolarHBondContact O-N 2.65Å; N772-N774 PolarHBondContact O-N 3.01Å; N772-K801 WeakPolarHBondContact OD1-CA 3.32Å; N772-W804 WeakPolarHBondContact ND2-CB 3.25Å |
| 773 | N | 95.1 | Very high | 94.4 | Very high | 79 Ų | 79 | 52.9 Ų | 52.9 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 10.4 | 177 | -62.7 | -33.1 | 0 | 0 | 0 | 113.6 | D769 L775 | D769-N773 WeakPolarHBondContact O-CB 3.47Å; D769-N773 PolarHBondContact O-N 2.68Å; D769-N773 PolarHBondContact O-ND2 3.4Å; N773-L775 HydrophobicContact CB-CG 4.21Å; N773-L775 PolarHBondContact O-N 3.24Å; N773-L775 VanDerWaalsContact O-N 3.15Å |
| 774 | N | 94.4 | Very high | 94 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 19% | 0.193 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 6.6 | 178.4 | -52.9 | -69.9 | 0 | 0 | 0 | 117 | F771 N772 Y776 L777 K801 | F771-N774 PolarHBondContact O-N 3.21Å; N772-N774 PolarHBondContact O-N 3.01Å; N774-Y776 PolarHBondContact O-N 2.92Å; N774-Y776 VanDerWaalsContact O-N 3.08Å; N774-L777 HydrophobicContact CB-CD1 3.97Å; N774-L777 HydrophobicContact CB-CG 4.35Å; N774-L777 WeakPolarHBondContact O-CB 3.44Å; N774-L777 WeakPolarHBondContact O-CG 3.27Å; N774-L777 PolarHBondContact O-N 3.16Å; N774-K801 VanDerWaalsContact OD1-CE 3.23Å; N774-K801 WeakPolarHBondContact OD1-CE 3.37Å; N774-K801 PolarHBondContact OD1-NZ 3.07Å |
| 775 | L | 95.7 | Very high | 93.5 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.5 | -176.4 | -57.5 | -178.3 | 0 | 0 | 0 | 113 | Y770 N773 L777 E778 | Y770-L775 HydrophobicContact CD2-CB 3.56Å; Y770-L775 HydrophobicContact CD2-CD1 4.18Å; Y770-L775 HydrophobicContact CD2-CG 4.48Å; Y770-L775 HydrophobicContact CE2-CB 3.9Å; Y770-L775 HydrophobicContact CG-CB 4.24Å; Y770-L775 PolarHBondContact O-N 2.94Å; Y770-L775 VanDerWaalsContact O-N 3.09Å; N773-L775 HydrophobicContact CB-CG 4.21Å; N773-L775 PolarHBondContact O-N 3.24Å; N773-L775 VanDerWaalsContact O-N 3.15Å; L775-L777 PolarHBondContact O-N 3.24Å; L775-E778 PolarHBondContact O-N 3.01Å |
| 776 | Y | 96.5 | Very high | 93.5 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -22.9 | 174.2 | 78.5 | -79.4 | 0 | 0 | 0 | 114.5 | F771 N774 E778 D779 I780 K801 | F771-Y776 HydrophobicContact CB-CD1 4.44Å; F771-Y776 AromaticContact CD1-CD1 3.57Å; F771-Y776 HydrophobicContact CD1-CD1 3.57Å; F771-Y776 AromaticContact CD1-CD2 3.9Å; F771-Y776 HydrophobicContact CD1-CD2 3.9Å; F771-Y776 HydrophobicContact CD1-CE1 4.01Å; F771-Y776 HydrophobicContact CD1-CE2 4.32Å; F771-Y776 AromaticContact CD1-CG 3.49Å; F771-Y776 HydrophobicContact CD1-CG 3.49Å; F771-Y776 VanDerWaalsContact CD1-CG 3.49Å; F771-Y776 HydrophobicContact CE1-CD1 4.23Å; F771-Y776 AromaticContact CE1-CD2 3.79Å; F771-Y776 HydrophobicContact CE1-CD2 3.79Å; F771-Y776 HydrophobicContact CE1-CE2 4.44Å; F771-Y776 AromaticContact CE1-CG 3.66Å; F771-Y776 HydrophobicContact CE1-CG 3.66Å; F771-Y776 HydrophobicContact CG-CD1 4.34Å; F771-Y776 WeakPolarHBondContact O-CE1 3.29Å; N774-Y776 PolarHBondContact O-N 2.92Å; N774-Y776 VanDerWaalsContact O-N 3.08Å; Y776-E778 VanDerWaalsContact C-N 3.32Å; Y776-E778 PolarHBondContact O-N 3.2Å; Y776-D779 PolarHBondContact O-N 3.14Å; Y776-I780 HydrophobicContact CD2-CD1 3.86Å; Y776-I780 HydrophobicContact CD2-CG1 4.45Å; Y776-I780 HydrophobicContact CE2-CD1 4.1Å; Y776-I780 WeakPolarHBondContact O-CG1 3.49Å; Y776-I780 PolarHBondContact O-N 2.69Å; Y776-I780 VanDerWaalsContact O-N 3.17Å; Y776-K801 PolarHBondContact OH-NZ 2.84Å |
| 777 | L | 95.1 | Very high | 93.3 | Very high | 89 Ų | 89 | 49.8 Ų | 49.8 | 47% | 0.466 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.7 | -30.1 | -178.6 | -63.9 | -178.7 | 0 | 0 | 0 | 113 | N774 L775 I780 | N774-L777 HydrophobicContact CB-CD1 3.97Å; N774-L777 HydrophobicContact CB-CG 4.35Å; N774-L777 WeakPolarHBondContact O-CB 3.44Å; N774-L777 WeakPolarHBondContact O-CG 3.27Å; N774-L777 PolarHBondContact O-N 3.16Å; L775-L777 PolarHBondContact O-N 3.24Å; L777-I780 HydrophobicContact CD2-CD1 4.19Å |
| 778 | E | 94.6 | Very high | 93.3 | Very high | 173 Ų | 173 | 51.6 Ų | 51.6 | 81% | 0.808 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -79.8 | -25.1 | 175.8 | -62.9 | 177.6 | -178.2 | 0 | 0 | 111.8 | L775 Y776 | L775-E778 PolarHBondContact O-N 3.01Å; Y776-E778 VanDerWaalsContact C-N 3.32Å; Y776-E778 PolarHBondContact O-N 3.2Å |
| 779 | D | 95.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -89.8 | -11.1 | -177.9 | -78.8 | 1.9 | 0 | 0 | 0 | 113.9 | Y770 Y776 N781 L850 K852 | Y770-D779 WeakPolarHBondContact CE2-OD2 3.32Å; Y770-D779 WeakPolarHBondContact OH-CB 3.48Å; Y770-D779 VanDerWaalsContact OH-CG 3.26Å; Y770-D779 PolarHBondContact OH-OD2 2.81Å; Y776-D779 PolarHBondContact O-N 3.14Å; D779-N781 PolarHBondContact O-N 2.86Å; D779-N781 VanDerWaalsContact O-N 3.1Å; D779-L850 HydrophobicContact CB-CD2 4.01Å; D779-L850 WeakPolarHBondContact O-CA 3.48Å; D779-K852 VanDerWaalsContact OD1-CD 3.3Å; D779-K852 WeakPolarHBondContact OD1-CD 3.26Å; D779-K852 VanDerWaalsContact OD1-CE 3.31Å; D779-K852 WeakPolarHBondContact OD1-CE 3.5Å; D779-K852 IonicContact OD1-NZ 2.74Å; D779-K852 PolarHBondContact OD1-NZ 3.44Å; D779-K852 WeakPolarHBondContact OD2-CE 3.47Å; D779-K852 IonicContact OD2-NZ 2.72Å; D779-K852 PolarHBondContact OD2-NZ 3.21Å |
| 780 | I | 96.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | trans | -63.7 | 110.9 | -177.7 | -80.7 | 162.4 | 0 | 0 | 0 | 111.4 | Y776 L777 R782 A793 E794 D849 L850 | Y776-I780 HydrophobicContact CD2-CD1 3.86Å; Y776-I780 HydrophobicContact CD2-CG1 4.45Å; Y776-I780 HydrophobicContact CE2-CD1 4.1Å; Y776-I780 WeakPolarHBondContact O-CG1 3.49Å; Y776-I780 PolarHBondContact O-N 2.69Å; Y776-I780 VanDerWaalsContact O-N 3.17Å; L777-I780 HydrophobicContact CD2-CD1 4.19Å; I780-R782 HydrophobicContact CG2-CG 3.51Å; I780-R782 PolarHBondContact O-N 3.1Å; I780-A793 HydrophobicContact CG1-CB 4.29Å; I780-E794 HydrophobicContact CD1-CG 3.67Å; I780-D849 CarbonylContact C-O 3.38Å; I780-D849 WeakPolarHBondContact CA-O 3.46Å; I780-L850 HydrophobicContact CG1-CD2 3.87Å | ||
| 781 | N | 93.1 | Very high | 93.4 | Very high | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | trans | -93.9 | 78.4 | 177.2 | -168.9 | -10.1 | 0 | 0 | 0 | 111.5 | D779 S783 N784 D849 N851 N855 | D779-N781 PolarHBondContact O-N 2.86Å; D779-N781 VanDerWaalsContact O-N 3.1Å; N781-S783 PolarHBondContact O-N 3.12Å; N781-S783 PolarHBondContact OD1-N 2.89Å; N781-S783 VanDerWaalsContact OD1-N 3.16Å; N781-S783 PolarHBondContact OD1-OG 2.81Å; N781-N784 HydrophobicContact CB-CB 4.26Å; N781-N784 WeakPolarHBondContact O-CB 3.35Å; N781-N784 PolarHBondContact O-N 3.2Å; N781-N784 VanDerWaalsContact O-N 3.1Å; N781-N784 PolarHBondContact OD1-N 3.36Å; N781-D849 PolarHBondContact N-O 3.25Å; N781-N851 WeakPolarHBondContact CB-O 3.45Å; N781-N851 PolarHBondContact ND2-O 2.52Å; N781-N855 PolarHBondContact ND2-ND2 3.48Å | ||
| 782 | R | 94.3 | Very high | 93.4 | Very high | 132 Ų | 132 | 55.4 Ų | 55.4 | 50% | 0.498 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -12 | 175.9 | -50.6 | -156 | -175.1 | -97 | 6.1 | 114.4 | I780 K789 E794 | I780-R782 HydrophobicContact CG2-CG 3.51Å; I780-R782 PolarHBondContact O-N 3.1Å; R782-K789 WeakPolarHBondContact CD-O 3.5Å; R782-K789 VanDerWaalsContact CG-O 3.26Å; R782-K789 WeakPolarHBondContact CG-O 3.14Å; R782-K789 PolarHBondContact NH1-O 2.93Å; R782-E794 IonicContact CZ-OE1 3.22Å; R782-E794 IonicContact CZ-OE2 2.69Å; R782-E794 IonicContact NH1-OE1 2.75Å; R782-E794 IonicContact NH1-OE2 3.02Å; R782-E794 PolarHBondContact NH1-OE2 2.83Å; R782-E794 IonicContact NH2-OE1 2.87Å; R782-E794 PolarHBondContact NH2-OE1 2.97Å; R782-E794 IonicContact NH2-OE2 3.75Å; R782-E794 PolarHBondContact NH2-OE2 3.23Å; R782-E794 VanDerWaalsContact NH2-OE2 3.1Å |
| 783 | S | 90 | Very high | 93.6 | Very high | 94 Ų | 94 | 54 Ų | 54 | 66% | 0.657 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -4.4 | 178.7 | 77.6 | 0 | 0 | 0 | 0 | 113.9 | N781 I785 | N781-S783 PolarHBondContact O-N 3.12Å; N781-S783 PolarHBondContact OD1-N 2.89Å; N781-S783 VanDerWaalsContact OD1-N 3.16Å; N781-S783 PolarHBondContact OD1-OG 2.81Å; S783-I785 PolarHBondContact O-N 3.42Å |
| 784 | N | 88.1 | Confident | 93.7 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | trans | -71.1 | 125 | 179.5 | -169.6 | -2 | 0 | 0 | 0 | 111.4 | N781 L786 G787 E848 N855 | N781-N784 HydrophobicContact CB-CB 4.26Å; N781-N784 WeakPolarHBondContact O-CB 3.35Å; N781-N784 PolarHBondContact O-N 3.2Å; N781-N784 VanDerWaalsContact O-N 3.1Å; N781-N784 PolarHBondContact OD1-N 3.36Å; N784-L786 VanDerWaalsContact C-N 3.27Å; N784-L786 PolarHBondContact O-N 3.06Å; N784-L786 PolarHBondContact OD1-N 2.85Å; N784-G787 PolarHBondContact O-N 2.92Å; N784-E848 PolarHBondContact ND2-O 3.3Å; N784-E848 PolarHBondContact ND2-OE2 3.5Å; N784-N855 WeakPolarHBondContact CA-ND2 3.38Å | ||
| 785 | I | 86.4 | Confident | 93.8 | Very high | 70 Ų | 70 | 51.7 Ų | 51.7 | 36% | 0.359 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -76 | -14.3 | 178.2 | 62.7 | 170.5 | 0 | 0 | 0 | 113.4 | L629 S783 | L629-I785 HydrophobicContact CD2-CB 3.67Å; L629-I785 HydrophobicContact CD2-CG2 3.72Å; S783-I785 PolarHBondContact O-N 3.42Å |
| 786 | L | 85.9 | Confident | 93.9 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 29% | 0.293 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -96.6 | -13.9 | 170.6 | -53.5 | -177.9 | 0 | 0 | 0 | 112 | T616 N784 E848 | T616-L786 HydrophobicContact CG2-CD2 3.94Å; T616-L786 WeakPolarHBondContact OG1-CD2 3.41Å; N784-L786 VanDerWaalsContact C-N 3.27Å; N784-L786 PolarHBondContact O-N 3.06Å; N784-L786 PolarHBondContact OD1-N 2.85Å; L786-E848 HydrophobicContact CB-CB 4.29Å; L786-E848 HydrophobicContact CB-CG 3.89Å |
| 787 | G | 88.8 | Confident | 93.9 | Very high | 10 Ų | 10 | 47 Ų | 47 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -87 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N784 | N784-G787 PolarHBondContact O-N 2.92Š|
| 788 | H | 94.3 | Very high | 94 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 19% | 0.185 | 21% | 0.213 | C | C | . | . | trans | -108.8 | 35 | -175 | -53.8 | 94.6 | 0 | 0 | 0 | 110.6 | G790 E791 V792 I823 D849 | H788-G790 PolarHBondContact O-N 3.44Å; H788-G790 VanDerWaalsContact O-N 3.09Å; H788-E791 WeakPolarHBondContact O-CB 3.47Å; H788-E791 WeakPolarHBondContact O-CG 3.26Å; H788-E791 PolarHBondContact O-N 3.05Å; H788-V792 HydrophobicContact CB-CG2 3.82Å; H788-I823 HydrophobicContact CB-CD1 3.9Å; H788-I823 WeakPolarHBondContact CD2-CG2 3.49Å; H788-I823 VanDerWaalsContact NE2-CG2 3.33Å; H788-I823 WeakPolarHBondContact NE2-CG2 3.47Å; H788-D849 VanDerWaalsContact C-OD1 3.29Å; H788-D849 VanDerWaalsContact CA-OD1 3.28Å; H788-D849 WeakPolarHBondContact CA-OD1 3.31Å; H788-D849 WeakPolarHBondContact CB-OD1 3.31Å; H788-D849 PolarHBondContact N-OD1 2.93Å | ||
| 789 | K | 94.3 | Very high | 94.1 | Very high | 104 Ų | 104 | 35 Ų | 35 | 45% | 0.452 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 16.7 | -176.7 | -54 | 170.3 | -174.7 | 168.3 | 0 | 114.3 | R782 D849 | R782-K789 WeakPolarHBondContact CD-O 3.5Å; R782-K789 VanDerWaalsContact CG-O 3.26Å; R782-K789 WeakPolarHBondContact CG-O 3.14Å; R782-K789 PolarHBondContact NH1-O 2.93Å; K789-D849 PolarHBondContact N-OD1 3.36Å |
| 790 | G | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | -5.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H788 V792 A793 E794 D849 | H788-G790 PolarHBondContact O-N 3.44Å; H788-G790 VanDerWaalsContact O-N 3.09Å; G790-V792 VanDerWaalsContact C-N 3.33Å; G790-V792 PolarHBondContact O-N 3.11Å; G790-A793 PolarHBondContact O-N 2.72Å; G790-E794 WeakPolarHBondContact O-CB 3.41Å; G790-E794 WeakPolarHBondContact O-CG 3.39Å; G790-E794 PolarHBondContact O-N 3.15Å; G790-D849 WeakPolarHBondContact CA-OD1 3.32Å; G790-D849 VanDerWaalsContact CA-OD2 3.31Å; G790-D849 WeakPolarHBondContact CA-OD2 3.3Å; G790-D849 PolarHBondContact N-OD1 3.21Å |
| 791 | E | 96.4 | Very high | 94.1 | Very high | 76 Ų | 76 | 34.4 Ų | 34.4 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.3 | -33.2 | -171.6 | -67.1 | -177.5 | -135.2 | 0 | 0 | 113.1 | H788 E795 T819 D849 | H788-E791 WeakPolarHBondContact O-CB 3.47Å; H788-E791 WeakPolarHBondContact O-CG 3.26Å; H788-E791 PolarHBondContact O-N 3.05Å; E791-E795 PolarHBondContact O-N 3.21Å; E791-T819 HydrophobicContact CB-CG2 3.85Å; E791-D849 PolarHBondContact N-OD2 3.29Å |
| 792 | V | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -75 | -43.9 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 110 | H788 G790 F796 T819 I823 L842 L846 D849 | H788-V792 HydrophobicContact CB-CG2 3.82Å; G790-V792 VanDerWaalsContact C-N 3.33Å; G790-V792 PolarHBondContact O-N 3.11Å; V792-F796 WeakPolarHBondContact O-CB 3.34Å; V792-F796 PolarHBondContact O-N 3.39Å; V792-T819 HydrophobicContact CG2-CG2 4.3Å; V792-I823 HydrophobicContact CG2-CD1 3.39Å; V792-L842 HydrophobicContact CG1-CD1 3.68Å; V792-L846 HydrophobicContact CG1-CD2 4.01Å; V792-L846 HydrophobicContact CG1-CG 4.17Å; V792-D849 WeakPolarHBondContact CA-OD2 3.33Å; V792-D849 WeakPolarHBondContact CB-OD2 3.22Å; V792-D849 PolarHBondContact N-OD2 3.41Å |
| 793 | A | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I780 G790 G797 L846 D849 L850 | I780-A793 HydrophobicContact CG1-CB 4.29Å; G790-A793 PolarHBondContact O-N 2.72Å; A793-G797 PolarHBondContact O-N 3.38Å; A793-L846 HydrophobicContact CB-CD2 4.17Å; A793-D849 HydrophobicContact CB-CB 3.77Å; A793-D849 PolarHBondContact N-OD2 2.91Å; A793-L850 HydrophobicContact CB-CD1 4.42Å; A793-L850 HydrophobicContact CB-CD2 3.95Å; A793-L850 HydrophobicContact CB-CG 4.07Å |
| 794 | E | 96.4 | Very high | 94.6 | Very high | 44 Ų | 44 | 24.6 Ų | 24.6 | 21% | 0.206 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.3 | -46 | 178.2 | -75.4 | -176.9 | 118.4 | 0 | 0 | 112.8 | I780 R782 G790 G797 V798 | I780-E794 HydrophobicContact CD1-CG 3.67Å; R782-E794 IonicContact CZ-OE1 3.22Å; R782-E794 IonicContact CZ-OE2 2.69Å; R782-E794 IonicContact NH1-OE1 2.75Å; R782-E794 IonicContact NH1-OE2 3.02Å; R782-E794 PolarHBondContact NH1-OE2 2.83Å; R782-E794 IonicContact NH2-OE1 2.87Å; R782-E794 PolarHBondContact NH2-OE1 2.97Å; R782-E794 IonicContact NH2-OE2 3.75Å; R782-E794 PolarHBondContact NH2-OE2 3.23Å; R782-E794 VanDerWaalsContact NH2-OE2 3.1Å; G790-E794 WeakPolarHBondContact O-CB 3.41Å; G790-E794 WeakPolarHBondContact O-CG 3.39Å; G790-E794 PolarHBondContact O-N 3.15Å; E794-G797 PolarHBondContact O-N 3.19Å; E794-V798 VanDerWaalsContact O-CG2 3.23Å; E794-V798 WeakPolarHBondContact O-CG2 3.18Å; E794-V798 PolarHBondContact O-N 2.99Å; E794-V798 VanDerWaalsContact O-N 3.09Å |
| 795 | E | 96.8 | Very high | 94.8 | Very high | 23 Ų | 23 | 26.5 Ų | 26.5 | 11% | 0.107 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -75.1 | -32.7 | 178.2 | -66.9 | -48.1 | 125.4 | 0 | 0 | 113 | K727 E791 V798 I799 F816 | K727-E795 IonicContact NZ-OE1 2.81Å; K727-E795 PolarHBondContact NZ-OE1 3.33Å; E791-E795 PolarHBondContact O-N 3.21Å; E795-V798 WeakPolarHBondContact O-CB 3.35Å; E795-V798 PolarHBondContact O-N 3.27Å; E795-I799 WeakPolarHBondContact O-CG1 3.35Å; E795-I799 PolarHBondContact O-N 2.7Å; E795-I799 VanDerWaalsContact O-N 3.08Å; E795-F816 HydrophobicContact CB-CB 4.27Å; E795-F816 HydrophobicContact CB-CD2 4.03Å |
| 796 | F | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 170 | -176.1 | -93.9 | 0 | 0 | 0 | 111.5 | L758 L761 M767 F771 V792 V798 I799 M800 F816 L842 L846 | L758-F796 HydrophobicContact CD2-CD2 3.94Å; L758-F796 HydrophobicContact CD2-CE2 3.95Å; L761-F796 HydrophobicContact CB-CE2 4.2Å; L761-F796 HydrophobicContact CB-CZ 4.05Å; L761-F796 HydrophobicContact CD1-CE2 4.36Å; M767-F796 HydrophobicContact CE-CE1 3.67Å; M767-F796 HydrophobicContact CE-CZ 3.77Å; M767-F796 HydrophobicContact SD-CE1 4.41Å; M767-F796 HydrophobicContact SD-CZ 4.29Å; F771-F796 HydrophobicContact CD1-CD1 4.29Å; F771-F796 AromaticContact CD2-CD1 3.93Å; F771-F796 HydrophobicContact CD2-CD1 3.93Å; F771-F796 AromaticContact CD2-CE1 3.74Å; F771-F796 HydrophobicContact CD2-CE1 3.74Å; F771-F796 HydrophobicContact CE1-CD1 4Å; F771-F796 AromaticContact CE2-CD1 3.63Å; F771-F796 HydrophobicContact CE2-CD1 3.63Å; F771-F796 AromaticContact CE2-CE1 3.59Å; F771-F796 HydrophobicContact CE2-CE1 3.59Å; F771-F796 HydrophobicContact CG-CD1 4.27Å; F771-F796 HydrophobicContact CG-CE1 4.4Å; F771-F796 AromaticContact CZ-CD1 3.66Å; F771-F796 HydrophobicContact CZ-CD1 3.66Å; F771-F796 HydrophobicContact CZ-CE1 4.13Å; V792-F796 WeakPolarHBondContact O-CB 3.34Å; V792-F796 PolarHBondContact O-N 3.39Å; F796-V798 VanDerWaalsContact C-N 3.27Å; F796-V798 PolarHBondContact O-N 3.24Å; F796-I799 PolarHBondContact O-N 3.43Å; F796-M800 HydrophobicContact CE1-CE 3.54Å; F796-M800 HydrophobicContact CZ-CE 3.8Å; F796-M800 PolarHBondContact O-N 3.16Å; F796-F816 HydrophobicContact CB-CE2 4.16Å; F796-F816 HydrophobicContact CD2-CE2 4.33Å; F796-L842 HydrophobicContact CD2-CD1 4.45Å; F796-L842 HydrophobicContact CD2-CD2 4.37Å; F796-L842 HydrophobicContact CE2-CD2 4.39Å; F796-L846 HydrophobicContact CB-CD2 3.82Å; F796-L846 HydrophobicContact CD1-CD1 4.04Å; F796-L846 HydrophobicContact CD1-CD2 4.21Å; F796-L846 HydrophobicContact CD2-CD1 4.04Å; F796-L846 HydrophobicContact CE1-CD1 4.25Å; F796-L846 HydrophobicContact CE2-CD1 4.25Å; F796-L846 HydrophobicContact CG-CD1 3.93Å; F796-L846 HydrophobicContact CG-CD2 4.04Å; F796-L846 HydrophobicContact CZ-CD1 4.35Å |
| 797 | G | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.5 | -32.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A793 E794 K801 | A793-G797 PolarHBondContact O-N 3.38Å; E794-G797 PolarHBondContact O-N 3.19Å; G797-K801 WeakPolarHBondContact O-CB 3.23Å; G797-K801 WeakPolarHBondContact O-CD 3.46Å; G797-K801 VanDerWaalsContact O-CG 3.23Å; G797-K801 WeakPolarHBondContact O-CG 3.39Å; G797-K801 PolarHBondContact O-N 2.69Å; G797-K801 VanDerWaalsContact O-N 3.09Å |
| 798 | V | 96.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 26 Ų | 26 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -47 | 172.8 | 166.3 | 0 | 0 | 0 | 0 | 111.4 | L723 K727 L731 E794 E795 F796 A802 | L723-V798 HydrophobicContact CD2-CB 4.28Å; L723-V798 HydrophobicContact CD2-CG1 3.88Å; L723-V798 HydrophobicContact CD2-CG2 4.3Å; K727-V798 HydrophobicContact CB-CG1 4.49Å; K727-V798 HydrophobicContact CD-CG2 3.59Å; L731-V798 HydrophobicContact CD1-CG1 3.96Å; L731-V798 HydrophobicContact CD2-CG1 4.33Å; L731-V798 HydrophobicContact CG-CG1 4.35Å; E794-V798 VanDerWaalsContact O-CG2 3.23Å; E794-V798 WeakPolarHBondContact O-CG2 3.18Å; E794-V798 PolarHBondContact O-N 2.99Å; E794-V798 VanDerWaalsContact O-N 3.09Å; E795-V798 WeakPolarHBondContact O-CB 3.35Å; E795-V798 PolarHBondContact O-N 3.27Å; F796-V798 VanDerWaalsContact C-N 3.27Å; F796-V798 PolarHBondContact O-N 3.24Å; V798-A802 WeakPolarHBondContact O-CB 3.42Å; V798-A802 PolarHBondContact O-N 3.4Å |
| 799 | I | 97.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -48.6 | 176 | -63.5 | -59.8 | 0 | 0 | 0 | 110.8 | L731 L745 L758 E795 F796 K801 A802 L803 I811 P813 F816 | L731-I799 HydrophobicContact CD2-CD1 3.68Å; L745-I799 HydrophobicContact CD2-CG2 4.38Å; L758-I799 HydrophobicContact CD2-CG2 4.42Å; E795-I799 WeakPolarHBondContact O-CG1 3.35Å; E795-I799 PolarHBondContact O-N 2.7Å; E795-I799 VanDerWaalsContact O-N 3.08Å; F796-I799 PolarHBondContact O-N 3.43Å; I799-K801 PolarHBondContact O-N 3.1Å; I799-A802 PolarHBondContact O-N 3.02Å; I799-A802 VanDerWaalsContact O-N 3.16Å; I799-L803 HydrophobicContact CG2-CD1 3.75Å; I799-L803 HydrophobicContact CG2-CG 4.13Å; I799-L803 WeakPolarHBondContact O-CG 3.48Å; I799-L803 PolarHBondContact O-N 3.01Å; I799-I811 HydrophobicContact CD1-CD1 4.25Å; I799-P813 HydrophobicContact CD1-CB 3.72Å; I799-F816 HydrophobicContact CG1-CB 4.19Å; I799-F816 HydrophobicContact CG1-CG 4.42Å |
| 800 | M | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.7 | -54.6 | 178.1 | -173.9 | 75.8 | 73.7 | 0 | 0 | 111.4 | C762 M767 A768 F771 F796 A802 L803 W804 | C762-M800 HydrophobicContact CB-CE 4.24Å; C762-M800 HydrophobicContact CB-SD 3.72Å; M767-M800 HydrophobicContact CG-CE 4.35Å; A768-M800 HydrophobicContact CB-CE 4.42Å; A768-M800 HydrophobicContact CB-SD 3.86Å; F771-M800 HydrophobicContact CB-CB 4.02Å; F771-M800 HydrophobicContact CB-CE 4.49Å; F771-M800 HydrophobicContact CB-CG 3.82Å; F771-M800 HydrophobicContact CD2-CE 4.2Å; F796-M800 HydrophobicContact CE1-CE 3.54Å; F796-M800 HydrophobicContact CZ-CE 3.8Å; F796-M800 PolarHBondContact O-N 3.16Å; M800-A802 VanDerWaalsContact C-N 3.27Å; M800-A802 PolarHBondContact O-N 3.16Å; M800-L803 PolarHBondContact O-N 3.28Å; M800-W804 WeakPolarHBondContact O-CB 3.46Å; M800-W804 VanDerWaalsContact O-CD1 3.31Å; M800-W804 PolarHBondContact O-N 2.87Å; M800-W804 PolarHBondContact SD-NE1 2.75Å; M800-W804 VanDerWaalsContact SD-NE1 3.45Å |
| 801 | K | 95.6 | Very high | 96.2 | Very high | 33 Ų | 33 | 24.7 Ų | 24.7 | 14% | 0.143 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | -180 | -72.1 | 166.1 | -178.8 | 173.6 | 0 | 112.3 | L723 F771 N772 N774 Y776 G797 I799 A805 | L723-K801 HydrophobicContact CD1-CB 4Å; L723-K801 HydrophobicContact CD2-CB 4.39Å; L723-K801 HydrophobicContact CG-CB 4.24Å; F771-K801 WeakPolarHBondContact O-CE 3.28Å; N772-K801 WeakPolarHBondContact OD1-CA 3.32Å; N774-K801 VanDerWaalsContact OD1-CE 3.23Å; N774-K801 WeakPolarHBondContact OD1-CE 3.37Å; N774-K801 PolarHBondContact OD1-NZ 3.07Å; Y776-K801 PolarHBondContact OH-NZ 2.84Å; G797-K801 WeakPolarHBondContact O-CB 3.23Å; G797-K801 WeakPolarHBondContact O-CD 3.46Å; G797-K801 VanDerWaalsContact O-CG 3.23Å; G797-K801 WeakPolarHBondContact O-CG 3.39Å; G797-K801 PolarHBondContact O-N 2.69Å; G797-K801 VanDerWaalsContact O-N 3.09Å; I799-K801 PolarHBondContact O-N 3.1Å; K801-A805 VanDerWaalsContact O-CB 3.31Å; K801-A805 WeakPolarHBondContact O-CB 3.26Å; K801-A805 PolarHBondContact O-N 2.96Å |
| 802 | A | 95.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.7 | -43.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L723 L731 V798 I799 M800 Y808 I811 | L723-A802 HydrophobicContact CD1-CB 4.1Å; L731-A802 HydrophobicContact CD1-CB 3.66Å; V798-A802 WeakPolarHBondContact O-CB 3.42Å; V798-A802 PolarHBondContact O-N 3.4Å; I799-A802 PolarHBondContact O-N 3.02Å; I799-A802 VanDerWaalsContact O-N 3.16Å; M800-A802 VanDerWaalsContact C-N 3.27Å; M800-A802 PolarHBondContact O-N 3.16Å; A802-Y808 HydrophobicContact CB-CE2 4.4Å; A802-Y808 WeakPolarHBondContact O-CD2 3.25Å; A802-I811 HydrophobicContact CB-CD1 3.52Å |
| 803 | L | 96.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.5 | -34.2 | 177 | -62.9 | 178.6 | 0 | 0 | 0 | 112.5 | S741 T743 L745 C762 I799 M800 I811 | S741-L803 WeakPolarHBondContact CA-O 3.41Å; S741-L803 PolarHBondContact N-O 2.76Å; T743-L803 HydrophobicContact CG2-CD2 3.67Å; T743-L803 WeakPolarHBondContact O-CD2 3.23Å; T743-L803 PolarHBondContact OG1-O 3.03Å; L745-L803 HydrophobicContact CD2-CD2 3.98Å; L745-L803 HydrophobicContact CG-CD2 4.28Å; C762-L803 HydrophobicContact CB-CD1 3.78Å; I799-L803 HydrophobicContact CG2-CD1 3.75Å; I799-L803 HydrophobicContact CG2-CG 4.13Å; I799-L803 WeakPolarHBondContact O-CG 3.48Å; I799-L803 PolarHBondContact O-N 3.01Å; M800-L803 PolarHBondContact O-N 3.28Å; L803-I811 HydrophobicContact CD2-CD1 3.83Å; L803-I811 HydrophobicContact CD2-CG1 4.25Å; L803-I811 HydrophobicContact CG-CD1 4.21Å |
| 804 | W | 95.8 | Very high | 96.2 | Very high | 45 Ų | 45 | 27 Ų | 27 | 17% | 0.17 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -85.7 | -16.7 | 178.8 | -78.7 | 86.4 | 0 | 0 | 0 | 114.9 | A740 C762 A768 N772 M800 G806 | A740-W804 HydrophobicContact CB-CE3 3.89Å; A740-W804 HydrophobicContact CB-CZ3 4.41Å; A740-W804 WeakPolarHBondContact CB-O 3.48Å; C762-W804 PolarHBondContact O-NE1 3.4Å; A768-W804 HydrophobicContact CB-CD2 4.44Å; A768-W804 HydrophobicContact CB-CZ2 3.7Å; N772-W804 WeakPolarHBondContact ND2-CB 3.25Å; M800-W804 WeakPolarHBondContact O-CB 3.46Å; M800-W804 VanDerWaalsContact O-CD1 3.31Å; M800-W804 PolarHBondContact O-N 2.87Å; M800-W804 PolarHBondContact SD-NE1 2.75Å; M800-W804 VanDerWaalsContact SD-NE1 3.45Å; W804-G806 PolarHBondContact O-N 2.82Å |
| 805 | A | 93.1 | Very high | 96.2 | Very high | 44 Ų | 44 | 27 Ų | 27 | 36% | 0.364 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -60.7 | -24.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K801 L807 Y808 | K801-A805 VanDerWaalsContact O-CB 3.31Å; K801-A805 WeakPolarHBondContact O-CB 3.26Å; K801-A805 PolarHBondContact O-N 2.96Å; A805-L807 HydrophobicContact CB-CG 4.32Å; A805-L807 PolarHBondContact O-N 3.29Å; A805-Y808 HydrophobicContact CB-CE2 4.02Å |
| 806 | G | 92.5 | Very high | 96.2 | Very high | 15 Ų | 15 | 26 Ų | 26 | 16% | 0.155 | 13% | 0.128 | C | C | . | . | trans | 68 | 0.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G737 G739 W804 | G737-G806 WeakPolarHBondContact CA-O 3.45Å; G739-G806 WeakPolarHBondContact O-CA 3.41Å; W804-G806 PolarHBondContact O-N 2.82Å | ||
| 807 | L | 92.9 | Very high | 96.2 | Very high | 100 Ų | 100 | 26.8 Ų | 26.8 | 52% | 0.524 | 13% | 0.132 | S | C | . | . | trans | -77.3 | -25 | -179.4 | -58.8 | 179.1 | 0 | 0 | 0 | 113.3 | G736 G737 A805 | G736-L807 PolarHBondContact N-O 2.91Å; G737-L807 PolarHBondContact N-O 2.81Å; G737-L807 VanDerWaalsContact N-O 3.11Å; A805-L807 HydrophobicContact CB-CG 4.32Å; A805-L807 PolarHBondContact O-N 3.29Å | ||
| 808 | Y | 95.7 | Very high | 96.2 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137.6 | -165.5 | -42.2 | -61.2 | 0 | 0 | 0 | 111.7 | L728 P733 S734 F735 G737 T743 A802 A805 I811 | L728-Y808 HydrophobicContact CD1-CE1 4.07Å; L728-Y808 HydrophobicContact CD1-CE2 4.4Å; L728-Y808 VanDerWaalsContact CD1-OH 3.28Å; L728-Y808 WeakPolarHBondContact CD1-OH 3.36Å; P733-Y808 HydrophobicContact CB-CD1 3.56Å; P733-Y808 HydrophobicContact CB-CE1 3.97Å; P733-Y808 HydrophobicContact CB-CG 4.03Å; P733-Y808 HydrophobicContact CG-CD1 4.39Å; P733-Y808 HydrophobicContact CG-CE1 4.35Å; S734-Y808 CarbonylContact O-C 3.55Å; S734-Y808 WeakPolarHBondContact O-CA 3.28Å; S734-Y808 WeakPolarHBondContact O-CB 3.49Å; F735-Y808 HydrophobicContact CD1-CD1 4Å; F735-Y808 HydrophobicContact CD1-CE1 4.02Å; F735-Y808 HydrophobicContact CE1-CD1 4.04Å; F735-Y808 AromaticContact CE1-CE1 3.6Å; F735-Y808 HydrophobicContact CE1-CE1 3.6Å; F735-Y808 HydrophobicContact CZ-CE1 4.1Å; G737-Y808 WeakPolarHBondContact CA-O 3.49Å; T743-Y808 WeakPolarHBondContact CG2-O 3.34Å; T743-Y808 PolarHBondContact OG1-O 3.48Å; A802-Y808 HydrophobicContact CB-CE2 4.4Å; A802-Y808 WeakPolarHBondContact O-CD2 3.25Å; A805-Y808 HydrophobicContact CB-CE2 4.02Å; Y808-I811 HydrophobicContact CD2-CG2 4.03Å; Y808-I811 HydrophobicContact CG-CG2 4.09Å |
| 809 | K | 96.4 | Very high | 96.2 | Very high | 113 Ų | 113 | 29.7 Ų | 29.7 | 49% | 0.491 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -44.5 | 168.3 | -177.2 | 177.1 | 178.2 | 179.4 | 0 | 110.4 | S734 G744 | S734-K809 PolarHBondContact O-N 3.38Å; G744-K809 PolarHBondContact N-O 2.89Å |
| 810 | C | 97.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 158.1 | 173.8 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | S734 G744 H1052 | S734-C810 PolarHBondContact N-O 3.44Å; G744-C810 CarbonylContact O-C 3.53Å; G744-C810 WeakPolarHBondContact O-CA 3.32Å; G744-C810 WeakPolarHBondContact O-CB 3.29Å; C810-H1052 HydrophobicContact CB-CB 4.01Å |
| 811 | I | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 164.2 | 177.6 | 66.7 | -177.5 | 0 | 0 | 0 | 110.9 | L731 P733 T743 G744 L745 R746 I799 A802 L803 Y808 | L731-I811 HydrophobicContact CB-CB 4.45Å; L731-I811 HydrophobicContact CD2-CD1 4.35Å; P733-I811 HydrophobicContact CB-CG2 4.09Å; T743-I811 HydrophobicContact CG2-CG2 4.14Å; G744-I811 PolarHBondContact O-N 2.92Å; L745-I811 CarbonylContact C-O 3.6Å; L745-I811 WeakPolarHBondContact CA-O 3.3Å; L745-I811 HydrophobicContact CD2-CD1 4Å; L745-I811 HydrophobicContact CD2-CG1 3.64Å; R746-I811 PolarHBondContact N-O 2.96Å; I799-I811 HydrophobicContact CD1-CD1 4.25Å; A802-I811 HydrophobicContact CB-CD1 3.52Å; L803-I811 HydrophobicContact CD2-CD1 3.83Å; L803-I811 HydrophobicContact CD2-CG1 4.25Å; L803-I811 HydrophobicContact CG-CD1 4.21Å; Y808-I811 HydrophobicContact CD2-CG2 4.03Å; Y808-I811 HydrophobicContact CG-CG2 4.09Å |
| 812 | S | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -107.9 | 112.8 | 175.7 | -70.3 | 0 | 0 | 0 | 0 | 110.6 | L731 R746 R814 | L731-S812 PolarHBondContact O-N 2.88Å; R746-S812 WeakPolarHBondContact CD-OG 3.39Å; S812-R814 PolarHBondContact O-N 3.38Å | ||
| 813 | P | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -77.3 | 52 | -179.5 | 32.7 | -36.9 | 0 | 0 | 0 | 113.1 | L745 L748 M754 L758 I799 F816 K817 | L745-P813 HydrophobicContact CD2-CB 4.36Å; L745-P813 HydrophobicContact CD2-CG 4.21Å; L748-P813 HydrophobicContact CD1-CG 4.21Å; M754-P813 HydrophobicContact CE-CB 4.01Å; M754-P813 HydrophobicContact CE-CG 3.43Å; M754-P813 VanDerWaalsContact CE-CG 3.43Å; L758-P813 HydrophobicContact CD1-CB 4.32Å; I799-P813 HydrophobicContact CD1-CB 3.72Å; P813-F816 HydrophobicContact CB-CB 4.42Å; P813-K817 VanDerWaalsContact O-CB 3.32Å; P813-K817 WeakPolarHBondContact O-CB 3.33Å; P813-K817 PolarHBondContact O-N 3.44Å | ||
| 814 | R | 96.2 | Very high | 95.6 | Very high | 123 Ų | 123 | 40 Ų | 40 | 46% | 0.464 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.4 | -52.7 | -172.3 | -58.9 | -173.7 | -176 | -84.1 | 3.7 | 112.6 | L748 S812 F816 K817 S818 | L748-R814 HydrophobicContact CD1-CG 4.21Å; L748-R814 HydrophobicContact CD2-CG 4.28Å; S812-R814 PolarHBondContact O-N 3.38Å; R814-F816 VanDerWaalsContact C-N 3.33Å; R814-F816 PolarHBondContact O-N 3.44Å; R814-K817 PolarHBondContact O-N 2.94Å; R814-S818 PolarHBondContact O-N 3.06Å |
| 815 | D | 96.5 | Very high | 95.4 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | -176.7 | -62.7 | 10 | 0 | 0 | 0 | 109.9 | N730 S818 T819 | N730-D815 VanDerWaalsContact CB-OD2 3.24Å; N730-D815 WeakPolarHBondContact CB-OD2 3.4Å; N730-D815 PolarHBondContact ND2-OD2 2.79Å; D815-S818 WeakPolarHBondContact O-CB 3.42Å; D815-S818 PolarHBondContact O-N 3.47Å; D815-T819 PolarHBondContact O-N 3.46Å; D815-T819 PolarHBondContact O-OG1 3.41Å |
| 816 | F | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 172 | -177.1 | -93.7 | 0 | 0 | 0 | 112.9 | M754 L758 E795 F796 I799 P813 R814 S818 T819 I820 L842 | M754-F816 HydrophobicContact CG-CD1 4.46Å; M754-F816 HydrophobicContact CG-CE1 4.07Å; M754-F816 HydrophobicContact SD-CD1 3.8Å; M754-F816 HydrophobicContact SD-CE1 3.93Å; L758-F816 HydrophobicContact CD1-CD1 3.99Å; L758-F816 HydrophobicContact CD1-CE1 3.93Å; L758-F816 HydrophobicContact CD2-CD1 4.44Å; L758-F816 HydrophobicContact CD2-CE1 3.86Å; L758-F816 HydrophobicContact CD2-CE2 4.41Å; L758-F816 HydrophobicContact CD2-CZ 3.84Å; L758-F816 HydrophobicContact CG-CE1 4.21Å; E795-F816 HydrophobicContact CB-CB 4.27Å; E795-F816 HydrophobicContact CB-CD2 4.03Å; F796-F816 HydrophobicContact CB-CE2 4.16Å; F796-F816 HydrophobicContact CD2-CE2 4.33Å; I799-F816 HydrophobicContact CG1-CB 4.19Å; I799-F816 HydrophobicContact CG1-CG 4.42Å; P813-F816 HydrophobicContact CB-CB 4.42Å; R814-F816 VanDerWaalsContact C-N 3.33Å; R814-F816 PolarHBondContact O-N 3.44Å; F816-S818 VanDerWaalsContact C-N 3.26Å; F816-S818 PolarHBondContact O-N 2.94Å; F816-T819 PolarHBondContact O-N 3.35Å; F816-I820 HydrophobicContact CD1-CG2 4.41Å; F816-I820 HydrophobicContact CE1-CD1 4.11Å; F816-I820 HydrophobicContact CE1-CG2 3.94Å; F816-I820 HydrophobicContact CE2-CG2 4.2Å; F816-I820 HydrophobicContact CZ-CG2 3.82Å; F816-I820 PolarHBondContact O-N 3.08Å; F816-L842 HydrophobicContact CE2-CD1 3.97Å; F816-L842 HydrophobicContact CZ-CD1 3.68Å; F816-L842 HydrophobicContact CZ-CD2 3.95Å; F816-L842 HydrophobicContact CZ-CG 4.47Å |
| 817 | K | 97.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.7 | -37 | 174.8 | 176.9 | 60.2 | 165.7 | 74.1 | 0 | 112 | L748 T751 M754 P813 R814 I820 G821 F827 A828 G829 | L748-K817 HydrophobicContact CD1-CB 4.04Å; L748-K817 HydrophobicContact CD1-CG 4.34Å; T751-K817 HydrophobicContact CG2-CD 4.11Å; M754-K817 HydrophobicContact CE-CB 4.24Å; M754-K817 HydrophobicContact SD-CB 4.14Å; M754-K817 HydrophobicContact SD-CD 4.03Å; P813-K817 VanDerWaalsContact O-CB 3.32Å; P813-K817 WeakPolarHBondContact O-CB 3.33Å; P813-K817 PolarHBondContact O-N 3.44Å; R814-K817 PolarHBondContact O-N 2.94Å; K817-I820 HydrophobicContact CD-CD1 4.41Å; K817-I820 WeakPolarHBondContact O-CG1 3.5Å; K817-G821 PolarHBondContact O-N 3.41Å; K817-F827 VanDerWaalsContact CE-O 3.32Å; K817-F827 WeakPolarHBondContact CE-O 3.43Å; K817-F827 PolarHBondContact NZ-O 3.3Å; K817-A828 VanDerWaalsContact NZ-C 3.34Å; K817-A828 PolarHBondContact NZ-O 3.33Å; K817-G829 PolarHBondContact NZ-O 2.98Å |
| 818 | S | 96.7 | Very high | 95.4 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 43% | 0.434 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.7 | -46.9 | 174.7 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | R814 D815 F816 G821 K822 | R814-S818 PolarHBondContact O-N 3.06Å; D815-S818 WeakPolarHBondContact O-CB 3.42Å; D815-S818 PolarHBondContact O-N 3.47Å; F816-S818 VanDerWaalsContact C-N 3.26Å; F816-S818 PolarHBondContact O-N 2.94Å; S818-G821 PolarHBondContact O-N 2.9Å; S818-K822 VanDerWaalsContact O-CG 3.31Å; S818-K822 WeakPolarHBondContact O-CG 3.24Å; S818-K822 PolarHBondContact O-N 3.44Å |
| 819 | T | 96.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 179.3 | -64.7 | 0 | 0 | 0 | 0 | 112 | E791 V792 D815 F816 G821 K822 I823 | E791-T819 HydrophobicContact CB-CG2 3.85Å; V792-T819 HydrophobicContact CG2-CG2 4.3Å; D815-T819 PolarHBondContact O-N 3.46Å; D815-T819 PolarHBondContact O-OG1 3.41Å; F816-T819 PolarHBondContact O-N 3.35Å; T819-G821 VanDerWaalsContact C-N 3.29Å; T819-G821 PolarHBondContact O-N 3.05Å; T819-K822 PolarHBondContact O-N 3.5Å; T819-I823 HydrophobicContact CG2-CD1 4.05Å; T819-I823 WeakPolarHBondContact O-CD1 3.47Å; T819-I823 WeakPolarHBondContact O-CG1 3.38Å; T819-I823 PolarHBondContact O-N 2.94Å |
| 820 | I | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.8 | -36.5 | 177.4 | 68.3 | 176.4 | 0 | 0 | 0 | 112 | M754 F816 K817 I823 N824 F827 L838 F841 | M754-I820 HydrophobicContact CG-CD1 4.34Å; M754-I820 HydrophobicContact SD-CD1 3.7Å; F816-I820 HydrophobicContact CD1-CG2 4.41Å; F816-I820 HydrophobicContact CE1-CD1 4.11Å; F816-I820 HydrophobicContact CE1-CG2 3.94Å; F816-I820 HydrophobicContact CE2-CG2 4.2Å; F816-I820 HydrophobicContact CZ-CG2 3.82Å; F816-I820 PolarHBondContact O-N 3.08Å; K817-I820 HydrophobicContact CD-CD1 4.41Å; K817-I820 WeakPolarHBondContact O-CG1 3.5Å; I820-I823 PolarHBondContact O-N 2.89Å; I820-N824 PolarHBondContact O-N 3.44Å; I820-F827 HydrophobicContact CD1-CB 4.06Å; I820-F827 HydrophobicContact CG1-CB 4.09Å; I820-L838 HydrophobicContact CD1-CD1 3.8Å; I820-F841 HydrophobicContact CB-CE1 3.8Å; I820-F841 HydrophobicContact CG2-CE1 3.86Å |
| 821 | G | 94.8 | Very high | 94.7 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.3 | -26.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | K817 S818 T819 I823 | K817-G821 PolarHBondContact O-N 3.41Å; S818-G821 PolarHBondContact O-N 2.9Å; T819-G821 VanDerWaalsContact C-N 3.29Å; T819-G821 PolarHBondContact O-N 3.05Å; G821-I823 VanDerWaalsContact C-N 3.3Å |
| 822 | K | 95.4 | Very high | 94.3 | Very high | 139 Ų | 139 | 51.2 Ų | 51.2 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -70.2 | -29.8 | 171.1 | -69.3 | 164.4 | -167.6 | 165.7 | 0 | 112.3 | S818 T819 | S818-K822 VanDerWaalsContact O-CG 3.31Å; S818-K822 WeakPolarHBondContact O-CG 3.24Å; S818-K822 PolarHBondContact O-N 3.44Å; T819-K822 PolarHBondContact O-N 3.5Å |
| 823 | I | 92.8 | Very high | 94.1 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -89.2 | -44.6 | -174 | -61.2 | 161.6 | 0 | 0 | 0 | 110.3 | H788 V792 T819 I820 G821 F841 | H788-I823 HydrophobicContact CB-CD1 3.9Å; H788-I823 WeakPolarHBondContact CD2-CG2 3.49Å; H788-I823 VanDerWaalsContact NE2-CG2 3.33Å; H788-I823 WeakPolarHBondContact NE2-CG2 3.47Å; V792-I823 HydrophobicContact CG2-CD1 3.39Å; T819-I823 HydrophobicContact CG2-CD1 4.05Å; T819-I823 WeakPolarHBondContact O-CD1 3.47Å; T819-I823 WeakPolarHBondContact O-CG1 3.38Å; T819-I823 PolarHBondContact O-N 2.94Å; I820-I823 PolarHBondContact O-N 2.89Å; G821-I823 VanDerWaalsContact C-N 3.3Å; I823-F841 HydrophobicContact CB-CE2 4.28Å; I823-F841 HydrophobicContact CB-CZ 3.87Å; I823-F841 HydrophobicContact CD1-CZ 4.34Å; I823-F841 HydrophobicContact CG2-CE2 3.57Å; I823-F841 HydrophobicContact CG2-CZ 3.6Å |
| 824 | N | 92 | Very high | 94 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 21% | 0.214 | 28% | 0.276 | C | S | . | . | trans | -129.4 | 113.5 | 175.6 | -177.6 | -5.9 | 0 | 0 | 0 | 109.4 | I820 Q826 F827 F841 | I820-N824 PolarHBondContact O-N 3.44Å; N824-Q826 PolarHBondContact O-N 3.35Å; N824-Q826 VanDerWaalsContact OD1-CB 3.25Å; N824-Q826 WeakPolarHBondContact OD1-CB 3.35Å; N824-Q826 PolarHBondContact OD1-N 3.23Å; N824-Q826 VanDerWaalsContact OD1-N 3.13Å; N824-F827 HydrophobicContact CB-CD2 3.96Å; N824-F827 HydrophobicContact CB-CE2 4.35Å; N824-F827 VanDerWaalsContact ND2-CE2 3.34Å; N824-F827 WeakPolarHBondContact ND2-CE2 3.46Å; N824-F827 PolarHBondContact O-N 2.6Å; N824-F841 HydrophobicContact CB-CD2 4.26Å; N824-F841 HydrophobicContact CB-CE2 3.99Å; N824-F841 HydrophobicContact CB-CZ 4.38Å | ||
| 825 | D | 91.6 | Very high | 94 | Very high | 137 Ų | 137 | 47.8 Ų | 47.8 | 73% | 0.733 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -65.4 | -24.8 | -175.8 | 57.4 | -9.1 | 0 | 0 | 0 | 113.2 | F827 A828 | D825-F827 PolarHBondContact O-N 2.69Å; D825-A828 VanDerWaalsContact O-CB 3.26Å; D825-A828 WeakPolarHBondContact O-CB 3.49Å; D825-A828 PolarHBondContact O-N 3.28Å |
| 826 | Q | 91 | Very high | 94 | Very high | 68 Ų | 68 | 46.7 Ų | 46.7 | 32% | 0.318 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -53.3 | -34.6 | 168.7 | -172 | -175.7 | -5.6 | 0 | 0 | 112.4 | N824 Q833 E837 | N824-Q826 PolarHBondContact O-N 3.35Å; N824-Q826 VanDerWaalsContact OD1-CB 3.25Å; N824-Q826 WeakPolarHBondContact OD1-CB 3.35Å; N824-Q826 PolarHBondContact OD1-N 3.23Å; N824-Q826 VanDerWaalsContact OD1-N 3.13Å; Q826-Q833 PolarHBondContact O-NE2 2.94Å; Q826-E837 PolarHBondContact NE2-OE2 2.98Å |
| 827 | F | 93.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -96 | 3 | 177.4 | -52.2 | -48.9 | 0 | 0 | 0 | 113.3 | Y753 K817 I820 N824 D825 Q833 E837 L838 F841 | Y753-F827 AromaticContact CE2-CD1 3.93Å; Y753-F827 HydrophobicContact CE2-CD1 3.93Å; Y753-F827 HydrophobicContact CE2-CE1 4.34Å; K817-F827 VanDerWaalsContact CE-O 3.32Å; K817-F827 WeakPolarHBondContact CE-O 3.43Å; K817-F827 PolarHBondContact NZ-O 3.3Å; I820-F827 HydrophobicContact CD1-CB 4.06Å; I820-F827 HydrophobicContact CG1-CB 4.09Å; N824-F827 HydrophobicContact CB-CD2 3.96Å; N824-F827 HydrophobicContact CB-CE2 4.35Å; N824-F827 VanDerWaalsContact ND2-CE2 3.34Å; N824-F827 WeakPolarHBondContact ND2-CE2 3.46Å; N824-F827 PolarHBondContact O-N 2.6Å; D825-F827 PolarHBondContact O-N 2.69Å; F827-Q833 HydrophobicContact CD1-CB 4.49Å; F827-Q833 HydrophobicContact CD1-CG 4.32Å; F827-Q833 HydrophobicContact CE1-CB 4.36Å; F827-E837 HydrophobicContact CZ-CB 4.36Å; F827-L838 HydrophobicContact CD1-CD1 4.3Å; F827-L838 HydrophobicContact CD2-CD1 3.95Å; F827-L838 HydrophobicContact CE1-CB 4.04Å; F827-L838 HydrophobicContact CE1-CD1 4.35Å; F827-L838 HydrophobicContact CE2-CD1 4Å; F827-L838 HydrophobicContact CG-CD1 4.12Å; F827-L838 HydrophobicContact CZ-CB 4.01Å; F827-L838 HydrophobicContact CZ-CD1 4.22Å; F827-F841 AromaticContact CD2-CD1 3.97Å; F827-F841 HydrophobicContact CD2-CD1 3.97Å; F827-F841 HydrophobicContact CD2-CE1 4.4Å; F827-F841 HydrophobicContact CD2-CG 4.25Å; F827-F841 HydrophobicContact CE2-CB 3.76Å; F827-F841 AromaticContact CE2-CD1 3.83Å; F827-F841 HydrophobicContact CE2-CD1 3.83Å; F827-F841 HydrophobicContact CE2-CD2 4.47Å; F827-F841 AromaticContact CE2-CG 3.73Å; F827-F841 HydrophobicContact CE2-CG 3.73Å; F827-F841 HydrophobicContact CZ-CB 4.46Å |
| 828 | A | 92.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 50 Ų | 50 | 40% | 0.397 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K817 D825 | K817-A828 VanDerWaalsContact NZ-C 3.34Å; K817-A828 PolarHBondContact NZ-O 3.33Å; D825-A828 VanDerWaalsContact O-CB 3.26Å; D825-A828 WeakPolarHBondContact O-CB 3.49Å; D825-A828 PolarHBondContact O-N 3.28Å |
| 829 | G | 91.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 47 Ų | 47 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -68.1 | -172 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116 | K817 | K817-G829 PolarHBondContact NZ-O 2.98Š|
| 830 | Y | 93.3 | Very high | 93.7 | Very high | 158 Ų | 158 | 50.2 Ų | 50.2 | 62% | 0.62 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -118.2 | 19.9 | -178.4 | -59.5 | -78.9 | 0 | 0 | 0 | 112.7 | L748 N750 | L748-Y830 WeakPolarHBondContact O-CD1 3.34Å; L748-Y830 WeakPolarHBondContact O-CE1 3.45Å; N750-Y830 VanDerWaalsContact CB-O 3.31Å; N750-Y830 WeakPolarHBondContact CB-O 3.45Å; N750-Y830 PolarHBondContact ND2-O 2.92Å |
| 831 | D | 91.1 | Very high | 93.7 | Very high | 103 Ų | 103 | 51.8 Ų | 51.8 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -84.5 | 162.9 | 175.8 | -54 | -66.4 | 0 | 0 | 0 | 111.7 | ||
| 832 | Q | 89.3 | Confident | 93.8 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | trans | -68.8 | 138.3 | 166.9 | -72.1 | -69.7 | -15.7 | 0 | 0 | 110 | N750 C752 L1029 G1032 | N750-Q832 HydrophobicContact CB-CG 4.02Å; N750-Q832 PolarHBondContact OD1-NE2 2.89Å; C752-Q832 PolarHBondContact SG-NE2 3.44Å; C752-Q832 PolarHBondContact SG-OE1 3.25Å; C752-Q832 VanDerWaalsContact SG-OE1 3.38Å; Q832-L1029 WeakPolarHBondContact CB-O 3.49Å; Q832-G1032 PolarHBondContact NE2-O 3.12Å | ||
| 833 | Q | 93.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | trans | -131 | 164.1 | -178.7 | -62.3 | -64 | -22.1 | 0 | 0 | 110.4 | Y753 Q826 F827 S835 Y1034 | Y753-Q833 HydrophobicContact CD1-CB 3.93Å; Y753-Q833 HydrophobicContact CD2-CB 4Å; Y753-Q833 HydrophobicContact CE1-CB 3.74Å; Y753-Q833 HydrophobicContact CE1-CG 3.89Å; Y753-Q833 HydrophobicContact CE2-CB 3.85Å; Y753-Q833 HydrophobicContact CE2-CG 4.34Å; Y753-Q833 HydrophobicContact CG-CB 4.06Å; Q826-Q833 PolarHBondContact O-NE2 2.94Å; F827-Q833 HydrophobicContact CD1-CB 4.49Å; F827-Q833 HydrophobicContact CD1-CG 4.32Å; F827-Q833 HydrophobicContact CE1-CB 4.36Å; Q833-S835 PolarHBondContact O-N 3.09Å; Q833-Y1034 WeakPolarHBondContact O-CE2 3.42Å; Q833-Y1034 PolarHBondContact O-OH 3.14Å | ||
| 834 | D | 94.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | trans | -76.2 | 121.5 | 173.9 | -162.3 | -31.5 | 0 | 0 | 0 | 110.9 | Q836 E837 L838 F980 Y1068 | D834-Q836 PolarHBondContact O-N 2.97Å; D834-Q836 WeakPolarHBondContact OD1-CB 3.32Å; D834-Q836 PolarHBondContact OD1-N 3.4Å; D834-E837 HydrophobicContact CB-CB 4.24Å; D834-E837 HydrophobicContact CB-CG 3.95Å; D834-E837 PolarHBondContact O-N 2.75Å; D834-E837 VanDerWaalsContact O-N 3.12Å; D834-L838 PolarHBondContact O-N 2.89Å; D834-F980 WeakPolarHBondContact OD2-CD2 3.46Å; D834-Y1068 WeakPolarHBondContact OD1-CE1 3.27Å; D834-Y1068 PolarHBondContact OD1-OH 3.27Å; D834-Y1068 PolarHBondContact OD2-OH 2.97Å | ||
| 835 | S | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -27 | 173.3 | 67.9 | 0 | 0 | 0 | 0 | 113.3 | I757 Q833 L839 Y1034 Y1068 | I757-S835 WeakPolarHBondContact CD1-O 2.97Å; I757-S835 WeakPolarHBondContact CG1-O 3.48Å; Q833-S835 PolarHBondContact O-N 3.09Å; S835-L839 VanDerWaalsContact O-CB 3.31Å; S835-L839 WeakPolarHBondContact O-CB 3.47Å; S835-L839 PolarHBondContact O-N 2.8Å; S835-Y1034 PolarHBondContact N-OH 3.07Å; S835-Y1034 WeakPolarHBondContact OG-CE1 3.38Å; S835-Y1068 WeakPolarHBondContact OG-CD1 3.47Å; S835-Y1068 WeakPolarHBondContact OG-CE1 3.47Å |
| 836 | Q | 96 | Very high | 94.3 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.2 | -38.3 | 174.8 | -169.9 | -102.1 | -119.1 | 0 | 0 | 111.9 | D834 L839 L840 Y917 H976 Y1068 I1069 | D834-Q836 PolarHBondContact O-N 2.97Å; D834-Q836 WeakPolarHBondContact OD1-CB 3.32Å; D834-Q836 PolarHBondContact OD1-N 3.4Å; Q836-L839 PolarHBondContact O-N 3.46Å; Q836-L840 PolarHBondContact O-N 3.36Å; Q836-Y917 HydrophobicContact CG-CE2 4Å; Q836-Y917 PolarHBondContact NE2-OH 3.26Å; Q836-Y917 PolarHBondContact OE1-OH 3.29Å; Q836-H976 HydrophobicContact CG-CB 4.17Å; Q836-H976 PolarHBondContact OE1-ND1 3.28Å; Q836-Y1068 HydrophobicContact CB-CE1 4.38Å; Q836-I1069 HydrophobicContact CB-CD1 4.04Å |
| 837 | E | 95 | Very high | 94.6 | Very high | 85 Ų | 85 | 34.1 Ų | 34.1 | 40% | 0.397 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.8 | -42.1 | 179.5 | -69.8 | 179.3 | 163.2 | 0 | 0 | 110.4 | Q826 F827 D834 L840 F841 | Q826-E837 PolarHBondContact NE2-OE2 2.98Å; F827-E837 HydrophobicContact CZ-CB 4.36Å; D834-E837 HydrophobicContact CB-CB 4.24Å; D834-E837 HydrophobicContact CB-CG 3.95Å; D834-E837 PolarHBondContact O-N 2.75Å; D834-E837 VanDerWaalsContact O-N 3.12Å; E837-L840 PolarHBondContact O-N 3.15Å; E837-F841 WeakPolarHBondContact O-CB 3.25Å; E837-F841 PolarHBondContact O-N 2.85Å |
| 838 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 170.5 | 179.8 | 72.1 | 0 | 0 | 0 | 112.2 | Y753 M754 I757 I820 F827 D834 L840 F841 L842 | Y753-L838 HydrophobicContact CD2-CB 4.14Å; Y753-L838 HydrophobicContact CD2-CD2 3.78Å; Y753-L838 HydrophobicContact CE2-CB 4.29Å; Y753-L838 HydrophobicContact CE2-CD2 3.89Å; Y753-L838 HydrophobicContact CE2-CG 4.48Å; M754-L838 HydrophobicContact CB-CD2 3.63Å; M754-L838 HydrophobicContact CG-CD2 3.75Å; I757-L838 HydrophobicContact CB-CD2 4.35Å; I757-L838 HydrophobicContact CG1-CD2 4.47Å; I820-L838 HydrophobicContact CD1-CD1 3.8Å; F827-L838 HydrophobicContact CD1-CD1 4.3Å; F827-L838 HydrophobicContact CD2-CD1 3.95Å; F827-L838 HydrophobicContact CE1-CB 4.04Å; F827-L838 HydrophobicContact CE1-CD1 4.35Å; F827-L838 HydrophobicContact CE2-CD1 4Å; F827-L838 HydrophobicContact CG-CD1 4.12Å; F827-L838 HydrophobicContact CZ-CB 4.01Å; F827-L838 HydrophobicContact CZ-CD1 4.22Å; D834-L838 PolarHBondContact O-N 2.89Å; L838-L840 VanDerWaalsContact C-N 3.34Å; L838-L840 PolarHBondContact O-N 3.03Å; L838-F841 HydrophobicContact CD1-CD1 4.23Å; L838-F841 PolarHBondContact O-N 3.45Å; L838-L842 VanDerWaalsContact O-CB 3.23Å; L838-L842 WeakPolarHBondContact O-CB 3.13Å; L838-L842 PolarHBondContact O-N 3.23Å |
| 839 | L | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | 179.2 | 176.6 | 61.5 | 0 | 0 | 0 | 111.4 | I757 L761 S835 Q836 M843 L974 I1069 F1071 | I757-L839 HydrophobicContact CD1-CB 3.99Å; I757-L839 HydrophobicContact CD1-CD2 4.38Å; I757-L839 HydrophobicContact CG1-CB 4.39Å; I757-L839 HydrophobicContact CG2-CB 4.31Å; I757-L839 HydrophobicContact CG2-CD1 3.98Å; L761-L839 HydrophobicContact CD1-CD1 4.1Å; L761-L839 HydrophobicContact CD2-CD1 4.15Å; L761-L839 HydrophobicContact CG-CD1 4.3Å; S835-L839 VanDerWaalsContact O-CB 3.31Å; S835-L839 WeakPolarHBondContact O-CB 3.47Å; S835-L839 PolarHBondContact O-N 2.8Å; Q836-L839 PolarHBondContact O-N 3.46Å; L839-M843 HydrophobicContact CD1-CG 4Å; L839-M843 HydrophobicContact CD1-SD 3.8Å; L839-M843 HydrophobicContact CG-SD 4.05Å; L839-M843 WeakPolarHBondContact O-CB 3.39Å; L839-M843 VanDerWaalsContact O-CG 3.22Å; L839-M843 WeakPolarHBondContact O-CG 3.42Å; L839-M843 PolarHBondContact O-N 2.96Å; L839-L974 HydrophobicContact CD1-CD1 4.44Å; L839-L974 HydrophobicContact CD2-CD1 4.39Å; L839-I1069 HydrophobicContact CD2-CD1 3.9Å; L839-I1069 HydrophobicContact CD2-CG2 4.01Å; L839-F1071 HydrophobicContact CD1-CZ 4.46Å; L839-F1071 HydrophobicContact CD2-CZ 4.23Å |
| 840 | L | 92.8 | Very high | 95.1 | Very high | 75 Ų | 75 | 31.2 Ų | 31.2 | 39% | 0.393 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.9 | -54.9 | 173.8 | 170.1 | 58.3 | 0 | 0 | 0 | 110.8 | Q836 E837 L838 L842 M843 D844 Y917 | Q836-L840 PolarHBondContact O-N 3.36Å; E837-L840 PolarHBondContact O-N 3.15Å; L838-L840 VanDerWaalsContact C-N 3.34Å; L838-L840 PolarHBondContact O-N 3.03Å; L840-L842 VanDerWaalsContact C-N 3.33Å; L840-L842 PolarHBondContact O-N 3.31Å; L840-M843 PolarHBondContact O-N 3.18Å; L840-D844 WeakPolarHBondContact O-CB 3.06Å; L840-D844 PolarHBondContact O-N 3.27Å; L840-Y917 HydrophobicContact CB-CE1 4.3Å; L840-Y917 HydrophobicContact CD1-CE1 4.27Å |
| 841 | F | 95.6 | Very high | 95.2 | Very high | 33 Ų | 33 | 23.8 Ų | 23.8 | 15% | 0.145 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.1 | -44.2 | 179.6 | 168.7 | -97.2 | 0 | 0 | 0 | 112.9 | I820 I823 N824 F827 E837 L838 D844 G845 | I820-F841 HydrophobicContact CB-CE1 3.8Å; I820-F841 HydrophobicContact CG2-CE1 3.86Å; I823-F841 HydrophobicContact CB-CE2 4.28Å; I823-F841 HydrophobicContact CB-CZ 3.87Å; I823-F841 HydrophobicContact CD1-CZ 4.34Å; I823-F841 HydrophobicContact CG2-CE2 3.57Å; I823-F841 HydrophobicContact CG2-CZ 3.6Å; N824-F841 HydrophobicContact CB-CD2 4.26Å; N824-F841 HydrophobicContact CB-CE2 3.99Å; N824-F841 HydrophobicContact CB-CZ 4.38Å; F827-F841 AromaticContact CD2-CD1 3.97Å; F827-F841 HydrophobicContact CD2-CD1 3.97Å; F827-F841 HydrophobicContact CD2-CE1 4.4Å; F827-F841 HydrophobicContact CD2-CG 4.25Å; F827-F841 HydrophobicContact CE2-CB 3.76Å; F827-F841 AromaticContact CE2-CD1 3.83Å; F827-F841 HydrophobicContact CE2-CD1 3.83Å; F827-F841 HydrophobicContact CE2-CD2 4.47Å; F827-F841 AromaticContact CE2-CG 3.73Å; F827-F841 HydrophobicContact CE2-CG 3.73Å; F827-F841 HydrophobicContact CZ-CB 4.46Å; E837-F841 WeakPolarHBondContact O-CB 3.25Å; E837-F841 PolarHBondContact O-N 2.85Å; L838-F841 HydrophobicContact CD1-CD1 4.23Å; L838-F841 PolarHBondContact O-N 3.45Å; F841-D844 PolarHBondContact O-N 3.41Å; F841-G845 PolarHBondContact O-N 3.11Å |
| 842 | L | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72 | -37.9 | -177.7 | -178.7 | 56.6 | 0 | 0 | 0 | 112.1 | I757 L758 L761 V792 F796 F816 L838 L840 D844 L846 | I757-L842 HydrophobicContact CG2-CD2 4.24Å; L758-L842 HydrophobicContact CD2-CD2 4.33Å; L761-L842 HydrophobicContact CD1-CD2 3.67Å; L761-L842 HydrophobicContact CD1-CG 4.27Å; V792-L842 HydrophobicContact CG1-CD1 3.68Å; F796-L842 HydrophobicContact CD2-CD1 4.45Å; F796-L842 HydrophobicContact CD2-CD2 4.37Å; F796-L842 HydrophobicContact CE2-CD2 4.39Å; F816-L842 HydrophobicContact CE2-CD1 3.97Å; F816-L842 HydrophobicContact CZ-CD1 3.68Å; F816-L842 HydrophobicContact CZ-CD2 3.95Å; F816-L842 HydrophobicContact CZ-CG 4.47Å; L838-L842 VanDerWaalsContact O-CB 3.23Å; L838-L842 WeakPolarHBondContact O-CB 3.13Å; L838-L842 PolarHBondContact O-N 3.23Å; L840-L842 VanDerWaalsContact C-N 3.33Å; L840-L842 PolarHBondContact O-N 3.31Å; L842-D844 VanDerWaalsContact C-N 3.34Å; L842-L846 HydrophobicContact CD1-CD1 3.85Å; L842-L846 HydrophobicContact CD1-CG 3.94Å; L842-L846 HydrophobicContact CG-CD1 3.96Å; L842-L846 HydrophobicContact CG-CG 4.44Å; L842-L846 VanDerWaalsContact O-CB 3.23Å; L842-L846 WeakPolarHBondContact O-CB 3.36Å; L842-L846 WeakPolarHBondContact O-CG 3.28Å; L842-L846 PolarHBondContact O-N 3.5Å |
| 843 | M | 95.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 174.7 | -73.4 | -179.3 | 75.9 | 0 | 0 | 112.4 | L839 L840 H847 I888 F892 M916 L974 | L839-M843 HydrophobicContact CD1-CG 4Å; L839-M843 HydrophobicContact CD1-SD 3.8Å; L839-M843 HydrophobicContact CG-SD 4.05Å; L839-M843 WeakPolarHBondContact O-CB 3.39Å; L839-M843 VanDerWaalsContact O-CG 3.22Å; L839-M843 WeakPolarHBondContact O-CG 3.42Å; L839-M843 PolarHBondContact O-N 2.96Å; L840-M843 PolarHBondContact O-N 3.18Å; M843-H847 VanDerWaalsContact O-CB 3.29Å; M843-H847 WeakPolarHBondContact O-CB 3.43Å; M843-H847 PolarHBondContact O-N 2.82Å; M843-I888 HydrophobicContact CE-CG2 4.24Å; M843-F892 HydrophobicContact CE-CB 3.44Å; M843-F892 VanDerWaalsContact CE-CB 3.44Å; M843-F892 HydrophobicContact CE-CD1 3.81Å; M843-F892 HydrophobicContact CE-CD2 4.06Å; M843-F892 HydrophobicContact CE-CG 3.54Å; M843-M916 HydrophobicContact CB-CE 4.42Å; M843-M916 HydrophobicContact CE-CB 3.85Å; M843-M916 HydrophobicContact CE-CG 4.34Å; M843-M916 HydrophobicContact CE-SD 3.91Å; M843-M916 HydrophobicContact SD-CB 4.34Å; M843-L974 HydrophobicContact CE-CD1 3.53Å; M843-L974 HydrophobicContact SD-CD1 3.3Å; M843-L974 WeakPolarHBondContact SD-CD1 3.28Å |
| 844 | D | 93.7 | Very high | 94.5 | Very high | 78 Ų | 78 | 24.4 Ų | 24.4 | 42% | 0.417 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -70.6 | -49.4 | 176.9 | -158.7 | 65.3 | 0 | 0 | 0 | 111 | L840 F841 L842 L846 H847 E848 | L840-D844 WeakPolarHBondContact O-CB 3.06Å; L840-D844 PolarHBondContact O-N 3.27Å; F841-D844 PolarHBondContact O-N 3.41Å; L842-D844 VanDerWaalsContact C-N 3.34Å; D844-L846 VanDerWaalsContact C-N 3.34Å; D844-L846 PolarHBondContact O-N 2.98Å; D844-H847 WeakPolarHBondContact O-CA 3.39Å; D844-H847 WeakPolarHBondContact O-CB 3.44Å; D844-H847 PolarHBondContact O-N 3.45Å; D844-E848 PolarHBondContact O-N 3.21Å |
| 845 | G | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F841 D849 | F841-G845 PolarHBondContact O-N 3.11Å; G845-D849 VanDerWaalsContact O-CB 3.3Å; G845-D849 WeakPolarHBondContact O-CB 2.85Å; G845-D849 PolarHBondContact O-N 3.41Å; G845-D849 VanDerWaalsContact O-N 3.07Å |
| 846 | L | 97.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -74.5 | -21.9 | 171.9 | -69.4 | 174.2 | 0 | 0 | 0 | 113.4 | M767 F771 V792 A793 F796 L842 D844 L850 I888 | M767-L846 HydrophobicContact CE-CD1 3.77Å; F771-L846 HydrophobicContact CZ-CD2 4.24Å; V792-L846 HydrophobicContact CG1-CD2 4.01Å; V792-L846 HydrophobicContact CG1-CG 4.17Å; A793-L846 HydrophobicContact CB-CD2 4.17Å; F796-L846 HydrophobicContact CB-CD2 3.82Å; F796-L846 HydrophobicContact CD1-CD1 4.04Å; F796-L846 HydrophobicContact CD1-CD2 4.21Å; F796-L846 HydrophobicContact CD2-CD1 4.04Å; F796-L846 HydrophobicContact CE1-CD1 4.25Å; F796-L846 HydrophobicContact CE2-CD1 4.25Å; F796-L846 HydrophobicContact CG-CD1 3.93Å; F796-L846 HydrophobicContact CG-CD2 4.04Å; F796-L846 HydrophobicContact CZ-CD1 4.35Å; L842-L846 HydrophobicContact CD1-CD1 3.85Å; L842-L846 HydrophobicContact CD1-CG 3.94Å; L842-L846 HydrophobicContact CG-CD1 3.96Å; L842-L846 HydrophobicContact CG-CG 4.44Å; L842-L846 VanDerWaalsContact O-CB 3.23Å; L842-L846 WeakPolarHBondContact O-CB 3.36Å; L842-L846 WeakPolarHBondContact O-CG 3.28Å; L842-L846 PolarHBondContact O-N 3.5Å; D844-L846 VanDerWaalsContact C-N 3.34Å; D844-L846 PolarHBondContact O-N 2.98Å; L846-L850 WeakPolarHBondContact O-CB 3.47Å; L846-L850 WeakPolarHBondContact O-CD1 3.36Å; L846-L850 WeakPolarHBondContact O-CG 3.33Å; L846-I888 HydrophobicContact CB-CD1 4.07Å; L846-I888 HydrophobicContact CB-CG1 4.14Å |
| 847 | H | 97.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.023 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.2 | -53.3 | 172.3 | 174.9 | 19.9 | 0 | 0 | 0 | 109.8 | M843 D844 L850 N851 N884 S886 I888 V889 M916 | M843-H847 VanDerWaalsContact O-CB 3.29Å; M843-H847 WeakPolarHBondContact O-CB 3.43Å; M843-H847 PolarHBondContact O-N 2.82Å; D844-H847 WeakPolarHBondContact O-CA 3.39Å; D844-H847 WeakPolarHBondContact O-CB 3.44Å; D844-H847 PolarHBondContact O-N 3.45Å; H847-L850 CarbonylContact O-C 3.54Å; H847-L850 PolarHBondContact O-N 2.71Å; H847-N851 WeakPolarHBondContact O-CB 3.47Å; H847-N851 PolarHBondContact O-N 2.95Å; H847-N884 WeakPolarHBondContact NE2-CB 3.43Å; H847-S886 PolarHBondContact ND1-OG 3.3Å; H847-S886 VanDerWaalsContact ND1-OG 3.1Å; H847-I888 HydrophobicContact CB-CB 4.08Å; H847-I888 HydrophobicContact CB-CG1 4.23Å; H847-I888 HydrophobicContact CB-CG2 4.28Å; H847-V889 WeakPolarHBondContact CE1-CG2 3.2Å; H847-M916 HydrophobicContact CB-CE 4.1Å |
| 848 | E | 95.8 | Very high | 88.1 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -75 | -33.9 | -171.9 | -64.9 | -63 | 176.6 | 0 | 0 | 113.2 | N784 L786 D844 L850 N851 | N784-E848 PolarHBondContact ND2-O 3.3Å; N784-E848 PolarHBondContact ND2-OE2 3.5Å; L786-E848 HydrophobicContact CB-CB 4.29Å; L786-E848 HydrophobicContact CB-CG 3.89Å; D844-E848 PolarHBondContact O-N 3.21Å; E848-L850 PolarHBondContact O-N 3.34Å; E848-N851 PolarHBondContact O-N 2.94Å; E848-N851 PolarHBondContact OE2-ND2 2.8Å |
| 849 | D | 96.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -22.9 | 169.8 | -90.4 | -7.1 | 0 | 0 | 0 | 112.9 | I780 N781 H788 K789 G790 E791 V792 A793 G845 | I780-D849 CarbonylContact C-O 3.38Å; I780-D849 WeakPolarHBondContact CA-O 3.46Å; N781-D849 PolarHBondContact N-O 3.25Å; H788-D849 VanDerWaalsContact C-OD1 3.29Å; H788-D849 VanDerWaalsContact CA-OD1 3.28Å; H788-D849 WeakPolarHBondContact CA-OD1 3.31Å; H788-D849 WeakPolarHBondContact CB-OD1 3.31Å; H788-D849 PolarHBondContact N-OD1 2.93Å; K789-D849 PolarHBondContact N-OD1 3.36Å; G790-D849 WeakPolarHBondContact CA-OD1 3.32Å; G790-D849 VanDerWaalsContact CA-OD2 3.31Å; G790-D849 WeakPolarHBondContact CA-OD2 3.3Å; G790-D849 PolarHBondContact N-OD1 3.21Å; E791-D849 PolarHBondContact N-OD2 3.29Å; V792-D849 WeakPolarHBondContact CA-OD2 3.33Å; V792-D849 WeakPolarHBondContact CB-OD2 3.22Å; V792-D849 PolarHBondContact N-OD2 3.41Å; A793-D849 HydrophobicContact CB-CB 3.77Å; A793-D849 PolarHBondContact N-OD2 2.91Å; G845-D849 VanDerWaalsContact O-CB 3.3Å; G845-D849 WeakPolarHBondContact O-CB 2.85Å; G845-D849 PolarHBondContact O-N 3.41Å; G845-D849 VanDerWaalsContact O-N 3.07Å |
| 850 | L | 96.9 | Very high | 85 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 14.1 | -176.6 | -59.7 | 174.8 | 0 | 0 | 0 | 113 | Y770 F771 D779 I780 A793 L846 H847 E848 K852 S886 I887 | Y770-L850 HydrophobicContact CE1-CD1 3.88Å; F771-L850 HydrophobicContact CZ-CD1 3.91Å; D779-L850 HydrophobicContact CB-CD2 4.01Å; D779-L850 WeakPolarHBondContact O-CA 3.48Å; I780-L850 HydrophobicContact CG1-CD2 3.87Å; A793-L850 HydrophobicContact CB-CD1 4.42Å; A793-L850 HydrophobicContact CB-CD2 3.95Å; A793-L850 HydrophobicContact CB-CG 4.07Å; L846-L850 WeakPolarHBondContact O-CB 3.47Å; L846-L850 WeakPolarHBondContact O-CD1 3.36Å; L846-L850 WeakPolarHBondContact O-CG 3.33Å; H847-L850 CarbonylContact O-C 3.54Å; H847-L850 PolarHBondContact O-N 2.71Å; E848-L850 PolarHBondContact O-N 3.34Å; L850-K852 PolarHBondContact O-N 3.14Å; L850-S886 WeakPolarHBondContact O-CB 3.38Å; L850-I887 HydrophobicContact CD1-CG2 4.02Å |
| 851 | N | 95.8 | Very high | 83.7 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | trans | -79.8 | 111.4 | -174.8 | -168.9 | 0.8 | 0 | 0 | 0 | 110.7 | N781 H847 E848 A853 L883 E885 | N781-N851 WeakPolarHBondContact CB-O 3.45Å; N781-N851 PolarHBondContact ND2-O 2.52Å; H847-N851 WeakPolarHBondContact O-CB 3.47Å; H847-N851 PolarHBondContact O-N 2.95Å; E848-N851 PolarHBondContact O-N 2.94Å; E848-N851 PolarHBondContact OE2-ND2 2.8Å; N851-A853 VanDerWaalsContact C-N 3.3Å; N851-A853 PolarHBondContact O-N 3.45Å; N851-A853 WeakPolarHBondContact OD1-CB 3.41Å; N851-A853 PolarHBondContact OD1-N 3.31Å; N851-L883 PolarHBondContact ND2-O 3.08Å; N851-E885 PolarHBondContact OD1-N 2.65Å | ||
| 852 | K | 93.6 | Very high | 82.3 | Confident | 115 Ų | 115 | 66.6 Ų | 66.6 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | trans | -82 | -2.9 | 179.9 | -74.8 | -177.9 | -83.9 | -151.9 | 0 | 114.4 | D779 L850 E885 | D779-K852 VanDerWaalsContact OD1-CD 3.3Å; D779-K852 WeakPolarHBondContact OD1-CD 3.26Å; D779-K852 VanDerWaalsContact OD1-CE 3.31Å; D779-K852 WeakPolarHBondContact OD1-CE 3.5Å; D779-K852 IonicContact OD1-NZ 2.74Å; D779-K852 PolarHBondContact OD1-NZ 3.44Å; D779-K852 WeakPolarHBondContact OD2-CE 3.47Å; D779-K852 IonicContact OD2-NZ 2.72Å; D779-K852 PolarHBondContact OD2-NZ 3.21Å; L850-K852 PolarHBondContact O-N 3.14Å; K852-E885 HydrophobicContact CB-CG 4.46Å; K852-E885 WeakPolarHBondContact CB-O 3.41Å; K852-E885 PolarHBondContact N-O 3.4Å | ||
| 853 | A | 87.8 | Confident | 81 | Confident | 13 Ų | 13 | 72 Ų | 72 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -69.4 | 159 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N851 N855 L883 | N851-A853 VanDerWaalsContact C-N 3.3Å; N851-A853 PolarHBondContact O-N 3.45Å; N851-A853 WeakPolarHBondContact OD1-CB 3.41Å; N851-A853 PolarHBondContact OD1-N 3.31Å; A853-N855 PolarHBondContact O-N 3.31Å; A853-L883 WeakPolarHBondContact CB-O 3.14Å |
| 854 | D | 77.2 | Confident | 80.1 | Confident | 45 Ų | 45 | 73.3 Ų | 73.3 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | trans | -88.9 | 94.7 | -179.8 | 177 | 30.5 | 0 | 0 | 0 | 110.8 | R856 K857 | D854-R856 PolarHBondContact O-N 3.28Å; D854-R856 IonicContact OD1-CZ 2.66Å; D854-R856 VanDerWaalsContact OD1-CZ 3.25Å; D854-R856 IonicContact OD1-NE 3.36Å; D854-R856 PolarHBondContact OD1-NE 2.69Å; D854-R856 IonicContact OD1-NH2 3.1Å; D854-R856 PolarHBondContact OD1-NH2 3.05Å; D854-K857 HydrophobicContact CB-CD 4.23Å; D854-K857 PolarHBondContact O-N 3.14Å; D854-K857 VanDerWaalsContact O-N 3.16Å; D854-K857 WeakPolarHBondContact OD2-CE 3.13Å; D854-K857 IonicContact OD2-NZ 2.68Å; D854-K857 PolarHBondContact OD2-NZ 3.4Å | ||
| 855 | N | 64.1 | Low | 79.2 | Confident | 59 Ų | 59 | 73 Ų | 73 | 32% | 0.316 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -3 | -175.4 | -59.1 | -37.6 | 0 | 0 | 0 | 116.3 | N781 N784 A853 | N781-N855 PolarHBondContact ND2-ND2 3.48Å; N784-N855 WeakPolarHBondContact CA-ND2 3.38Å; A853-N855 PolarHBondContact O-N 3.31Å |
| 856 | R | 58.8 | Low | 78.5 | Confident | 210 Ų | 210 | 80 Ų | 80 | 79% | 0.792 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -11.7 | 179 | -70.2 | 170.6 | -71 | -156.3 | -6.1 | 114.1 | D854 | D854-R856 PolarHBondContact O-N 3.28Å; D854-R856 IonicContact OD1-CZ 2.66Å; D854-R856 VanDerWaalsContact OD1-CZ 3.25Å; D854-R856 IonicContact OD1-NE 3.36Å; D854-R856 PolarHBondContact OD1-NE 2.69Å; D854-R856 IonicContact OD1-NH2 3.1Å; D854-R856 PolarHBondContact OD1-NH2 3.05Å |
| 857 | K | 65.2 | Low | 78.1 | Confident | 96 Ų | 96 | 82.4 Ų | 82.4 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | trans | -92.9 | 109.3 | -172.7 | -68.6 | 168.2 | 180 | 147.6 | 0 | 112.2 | D854 Y859 L883 | D854-K857 HydrophobicContact CB-CD 4.23Å; D854-K857 PolarHBondContact O-N 3.14Å; D854-K857 VanDerWaalsContact O-N 3.16Å; D854-K857 WeakPolarHBondContact OD2-CE 3.13Å; D854-K857 IonicContact OD2-NZ 2.68Å; D854-K857 PolarHBondContact OD2-NZ 3.4Å; K857-Y859 HydrophobicContact CB-CD2 4.37Å; K857-Y859 HydrophobicContact CB-CE2 3.77Å; K857-L883 WeakPolarHBondContact O-CD2 3.33Å | ||
| 858 | R | 60.4 | Low | 77.9 | Confident | 163 Ų | 163 | 85.9 Ų | 85.9 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | trans | -96.7 | 118.2 | 168.9 | -73.1 | -170.3 | 173.8 | -154.8 | -5 | 110.6 | D611 | D611-R858 IonicContact OD2-NH2 2.66Å; D611-R858 PolarHBondContact OD2-NH2 3.25Å | ||
| 859 | Y | 65.9 | Low | 77.8 | Confident | 101 Ų | 101 | 87.2 Ų | 87.2 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | trans | -104.2 | 123.5 | 177.7 | -70.5 | -83.5 | 0 | 0 | 0 | 111.5 | K857 K879 L882 L883 | K857-Y859 HydrophobicContact CB-CD2 4.37Å; K857-Y859 HydrophobicContact CB-CE2 3.77Å; Y859-K879 PolarHBondContact O-NZ 3.49Å; Y859-L882 HydrophobicContact CE2-CB 4.04Å; Y859-L882 HydrophobicContact CE2-CD1 4.48Å; Y859-L883 HydrophobicContact CD2-CD2 4.01Å; Y859-L883 HydrophobicContact CD2-CG 4.33Å; Y859-L883 HydrophobicContact CE2-CD2 4.33Å | ||
| 860 | K | 63.3 | Low | 77.6 | Confident | 187 Ų | 187 | 90 Ų | 90 | 81% | 0.813 | 41% | 0.409 | S | S | * | . | trans | -57.7 | 155.6 | 174.1 | -74.7 | -177 | 176.7 | 177 | 0 | 111.8 | K879 | K860-K879 PolarHBondContact O-NZ 3.21Š| ||
| 861 | E | 63.9 | Low | 77.5 | Confident | 156 Ų | 156 | 94 Ų | 94 | 73% | 0.729 | 43% | 0.43 | S | S | * | . | trans | -74.1 | 136.2 | 164.4 | -66.8 | -174.3 | 177.2 | 0 | 0 | 109.8 | R952 | E861-R952 IonicContact OE2-NH2 2.65Š| ||
| 862 | E | 67.4 | Low | 77.3 | Confident | 151 Ų | 151 | 93.9 Ų | 93.9 | 71% | 0.706 | 43% | 0.43 | S | S | * | . | trans | -115.7 | 145.8 | 174.7 | -67.3 | -179.8 | 179.3 | 0 | 0 | 108.7 | N864 | E862-N864 PolarHBondContact O-N 2.93Å; E862-N864 VanDerWaalsContact O-N 3.14Å; E862-N864 PolarHBondContact O-OD1 2.83Å | ||
| 863 | E | 69.1 | Low | 77.3 | Confident | 112 Ų | 112 | 88.4 Ų | 88.4 | 52% | 0.523 | 41% | 0.406 | S | S | . | . | trans | -89.7 | 84.8 | -169.8 | -160.4 | 157.5 | -113.9 | 0 | 0 | 110.5 | D865 H866 R952 | E863-D865 PolarHBondContact O-N 2.8Å; E863-H866 PolarHBondContact O-ND1 3.06Å; E863-R952 IonicContact OE1-CZ 3.38Å; E863-R952 IonicContact OE1-NH1 3.51Å; E863-R952 PolarHBondContact OE1-NH1 2.79Å | ||
| 864 | N | 76.4 | Confident | 77.6 | Confident | 32 Ų | 32 | 90.9 Ų | 90.9 | 17% | 0.171 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -66.8 | 11.6 | -173.4 | -66.3 | 0.6 | 0 | 0 | 0 | 115.1 | E862 H866 L867 A872 R910 | E862-N864 PolarHBondContact O-N 2.93Å; E862-N864 VanDerWaalsContact O-N 3.14Å; E862-N864 PolarHBondContact O-OD1 2.83Å; N864-H866 PolarHBondContact O-N 3.37Å; N864-L867 HydrophobicContact CB-CD1 4.39Å; N864-L867 PolarHBondContact O-N 3.46Å; N864-A872 HydrophobicContact CB-CB 4.06Å; N864-R910 PolarHBondContact O-NH2 2.63Å |
| 865 | D | 74.4 | Confident | 78.3 | Confident | 71 Ų | 71 | 91.8 Ų | 91.8 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -65.1 | -21.2 | 179.6 | -82.5 | -4.3 | 0 | 0 | 0 | 112.9 | E863 R910 | E863-D865 PolarHBondContact O-N 2.8Å; D865-R910 PolarHBondContact O-NH2 3.09Å |
| 866 | H | 81.9 | Confident | 79.7 | Confident | 146 Ų | 146 | 90 Ų | 90 | 68% | 0.676 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -83.7 | -11.3 | -178.7 | 66.6 | -86.1 | 0 | 0 | 0 | 114.9 | E863 N864 | E863-H866 PolarHBondContact O-ND1 3.06Å; N864-H866 PolarHBondContact O-N 3.37Å |
| 867 | L | 88.4 | Confident | 81.3 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 28% | 0.277 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -89 | 177.7 | 179.1 | -60.8 | 175.3 | 0 | 0 | 0 | 111.5 | N864 N871 A872 V875 R910 | N864-L867 HydrophobicContact CB-CD1 4.39Å; N864-L867 PolarHBondContact O-N 3.46Å; L867-N871 HydrophobicContact CB-CB 4.42Å; L867-N871 HydrophobicContact CD1-CB 4.45Å; L867-A872 HydrophobicContact CB-CB 4.19Å; L867-A872 HydrophobicContact CD1-CB 4.36Å; L867-V875 HydrophobicContact CD1-CG2 4.24Å; L867-R910 PolarHBondContact O-NH1 3.48Å; L867-R910 PolarHBondContact O-NH2 3.11Å |
| 868 | D | 92.6 | Very high | 82.6 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | trans | -85.2 | 171.8 | 157.5 | 73.4 | -71.6 | 0 | 0 | 0 | 110.8 | Q870 N871 A872 | D868-Q870 VanDerWaalsContact C-N 3.32Å; D868-Q870 PolarHBondContact O-N 2.9Å; D868-Q870 WeakPolarHBondContact OD2-CA 3.13Å; D868-Q870 WeakPolarHBondContact OD2-CB 3.33Å; D868-Q870 PolarHBondContact OD2-N 3.48Å; D868-N871 WeakPolarHBondContact OD1-CB 3.3Å; D868-N871 PolarHBondContact OD1-ND2 3.06Å; D868-N871 PolarHBondContact OD2-N 2.87Å; D868-A872 VanDerWaalsContact O-CB 3.22Å; D868-A872 WeakPolarHBondContact O-CB 3.24Å; D868-A872 PolarHBondContact O-N 2.59Å | ||
| 869 | D | 93.3 | Very high | 83.9 | Confident | 43 Ų | 43 | 77 Ų | 77 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63 | -34.3 | -178.6 | -79.5 | -10.4 | 0 | 0 | 0 | 113.1 | A873 K897 R910 F912 W967 | D869-A873 VanDerWaalsContact O-CB 3.23Å; D869-A873 WeakPolarHBondContact O-CB 3.43Å; D869-A873 PolarHBondContact O-N 3.47Å; D869-K897 IonicContact OD1-NZ 3.64Å; D869-K897 WeakPolarHBondContact OD2-CE 3.44Å; D869-K897 IonicContact OD2-NZ 2.59Å; D869-K897 PolarHBondContact OD2-NZ 3.47Å; D869-R910 VanDerWaalsContact OD1-CD 3.27Å; D869-R910 WeakPolarHBondContact OD1-CD 3.37Å; D869-R910 IonicContact OD1-CZ 3.72Å; D869-R910 IonicContact OD1-NE 2.71Å; D869-R910 IonicContact OD1-NH1 2.69Å; D869-R910 PolarHBondContact OD1-NH1 2.79Å; D869-F912 HydrophobicContact CB-CZ 3.97Å; D869-F912 WeakPolarHBondContact O-CZ 3.38Å; D869-W967 HydrophobicContact CB-CH2 3.87Å; D869-W967 HydrophobicContact CB-CZ3 3.91Å |
| 870 | Q | 94.1 | Very high | 85.1 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 28% | 0.28 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69 | -47.9 | -178.8 | -175.4 | 62.2 | 63.4 | 0 | 0 | 111.4 | D868 A873 N874 W967 | D868-Q870 VanDerWaalsContact C-N 3.32Å; D868-Q870 PolarHBondContact O-N 2.9Å; D868-Q870 WeakPolarHBondContact OD2-CA 3.13Å; D868-Q870 WeakPolarHBondContact OD2-CB 3.33Å; D868-Q870 PolarHBondContact OD2-N 3.48Å; Q870-A873 PolarHBondContact O-N 2.83Å; Q870-N874 PolarHBondContact NE2-OD1 2.74Å; Q870-N874 WeakPolarHBondContact O-CB 3.48Å; Q870-N874 PolarHBondContact O-N 3.34Å; Q870-N874 PolarHBondContact O-ND2 3.5Å; Q870-N874 PolarHBondContact O-OD1 2.9Å; Q870-W967 HydrophobicContact CB-CZ2 4.49Å |
| 871 | N | 93.3 | Very high | 86.4 | Confident | 82 Ų | 82 | 68 Ų | 68 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.9 | -38 | 178.9 | -72.4 | -52.7 | 0 | 0 | 0 | 111.8 | L867 D868 A873 N874 V875 | L867-N871 HydrophobicContact CB-CB 4.42Å; L867-N871 HydrophobicContact CD1-CB 4.45Å; D868-N871 WeakPolarHBondContact OD1-CB 3.3Å; D868-N871 PolarHBondContact OD1-ND2 3.06Å; D868-N871 PolarHBondContact OD2-N 2.87Å; N871-A873 PolarHBondContact O-N 3.28Å; N871-N874 PolarHBondContact O-N 3.33Å; N871-V875 WeakPolarHBondContact O-CB 3.39Å; N871-V875 WeakPolarHBondContact O-CG2 3.29Å; N871-V875 PolarHBondContact O-N 3.32Å |
| 872 | A | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N864 L867 D868 A876 F912 | N864-A872 HydrophobicContact CB-CB 4.06Å; L867-A872 HydrophobicContact CB-CB 4.19Å; L867-A872 HydrophobicContact CD1-CB 4.36Å; D868-A872 VanDerWaalsContact O-CB 3.22Å; D868-A872 WeakPolarHBondContact O-CB 3.24Å; D868-A872 PolarHBondContact O-N 2.59Å; A872-A876 WeakPolarHBondContact O-CB 3.42Å; A872-A876 PolarHBondContact O-N 2.6Å; A872-A876 VanDerWaalsContact O-N 3.1Å; A872-F912 HydrophobicContact CB-CD2 3.97Å; A872-F912 HydrophobicContact CB-CE2 3.58Å |
| 873 | A | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.9 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D869 Q870 N871 A876 W877 Q895 F912 W967 | D869-A873 VanDerWaalsContact O-CB 3.23Å; D869-A873 WeakPolarHBondContact O-CB 3.43Å; D869-A873 PolarHBondContact O-N 3.47Å; Q870-A873 PolarHBondContact O-N 2.83Å; N871-A873 PolarHBondContact O-N 3.28Å; A873-A876 PolarHBondContact O-N 2.94Å; A873-W877 WeakPolarHBondContact O-CB 3.38Å; A873-W877 PolarHBondContact O-N 2.84Å; A873-Q895 PolarHBondContact O-NE2 3.42Å; A873-F912 HydrophobicContact CB-CD1 3.6Å; A873-F912 HydrophobicContact CB-CD2 4.3Å; A873-F912 HydrophobicContact CB-CE1 3.68Å; A873-F912 HydrophobicContact CB-CE2 4.38Å; A873-F912 HydrophobicContact CB-CG 3.92Å; A873-F912 HydrophobicContact CB-CZ 4.08Å; A873-W967 HydrophobicContact CB-CD2 4.15Å; A873-W967 HydrophobicContact CB-CG 4.27Å; A873-W967 HydrophobicContact CB-CZ2 3.98Å |
| 874 | N | 93.6 | Very high | 89.8 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.6 | -73.1 | -12 | 0 | 0 | 0 | 111.6 | Q870 N871 W877 N878 | Q870-N874 PolarHBondContact NE2-OD1 2.74Å; Q870-N874 WeakPolarHBondContact O-CB 3.48Å; Q870-N874 PolarHBondContact O-N 3.34Å; Q870-N874 PolarHBondContact O-ND2 3.5Å; Q870-N874 PolarHBondContact O-OD1 2.9Å; N871-N874 PolarHBondContact O-N 3.33Å; N874-W877 PolarHBondContact O-N 3.48Å; N874-N878 WeakPolarHBondContact O-CB 3.3Å; N874-N878 PolarHBondContact O-N 3.22Å; N874-N878 PolarHBondContact O-ND2 3.47Å |
| 875 | V | 92.3 | Very high | 90.7 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 38% | 0.382 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | L867 N871 N878 K879 | L867-V875 HydrophobicContact CD1-CG2 4.24Å; N871-V875 WeakPolarHBondContact O-CB 3.39Å; N871-V875 WeakPolarHBondContact O-CG2 3.29Å; N871-V875 PolarHBondContact O-N 3.32Å; V875-N878 PolarHBondContact O-N 2.97Å; V875-K879 WeakPolarHBondContact O-CB 3.46Å; V875-K879 PolarHBondContact O-N 2.92Å |
| 876 | A | 91.9 | Very high | 91.7 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A872 A873 K879 H880 F912 | A872-A876 WeakPolarHBondContact O-CB 3.42Å; A872-A876 PolarHBondContact O-N 2.6Å; A872-A876 VanDerWaalsContact O-N 3.1Å; A873-A876 PolarHBondContact O-N 2.94Å; A876-K879 PolarHBondContact O-N 3.32Å; A876-H880 WeakPolarHBondContact O-CB 3.09Å; A876-H880 PolarHBondContact O-N 3Å; A876-F912 HydrophobicContact CB-CB 3.81Å |
| 877 | W | 92.9 | Very high | 92.4 | Very high | 35 Ų | 35 | 50 Ų | 50 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 178.5 | -174 | -91.6 | 0 | 0 | 0 | 112.4 | A873 N874 H880 K881 V889 Q893 Q895 T914 K968 | A873-W877 WeakPolarHBondContact O-CB 3.38Å; A873-W877 PolarHBondContact O-N 2.84Å; N874-W877 PolarHBondContact O-N 3.48Å; W877-H880 WeakPolarHBondContact O-CB 3.28Å; W877-H880 PolarHBondContact O-N 2.9Å; W877-K881 PolarHBondContact O-N 2.93Å; W877-V889 HydrophobicContact CZ2-CG1 4.46Å; W877-Q893 HydrophobicContact CH2-CB 4.11Å; W877-Q893 WeakPolarHBondContact CH2-O 3.05Å; W877-Q895 HydrophobicContact CE3-CB 4.19Å; W877-Q895 HydrophobicContact CE3-CG 4.39Å; W877-Q895 HydrophobicContact CZ3-CB 4.39Å; W877-T914 HydrophobicContact CE3-CG2 3.99Å; W877-T914 HydrophobicContact CZ3-CG2 3.77Å; W877-K968 HydrophobicContact CE3-CD 4.37Å; W877-K968 HydrophobicContact CZ3-CD 4.39Å |
| 878 | N | 91.9 | Very high | 92.8 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69 | -42.5 | 176.2 | -70.8 | -14.4 | 0 | 0 | 0 | 111.6 | N874 V875 H880 K881 L882 | N874-N878 WeakPolarHBondContact O-CB 3.3Å; N874-N878 PolarHBondContact O-N 3.22Å; N874-N878 PolarHBondContact O-ND2 3.47Å; V875-N878 PolarHBondContact O-N 2.97Å; N878-H880 VanDerWaalsContact C-N 3.29Å; N878-H880 PolarHBondContact O-N 3.01Å; N878-K881 PolarHBondContact O-N 3.46Å; N878-L882 WeakPolarHBondContact O-CG 3.45Å; N878-L882 PolarHBondContact O-N 2.99Å; N878-L882 VanDerWaalsContact O-N 3.08Å |
| 879 | K | 88.9 | Confident | 93 | Very high | 64 Ų | 64 | 44.1 Ų | 44.1 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58 | -43 | 171.8 | 177.2 | 176.9 | 172.7 | 173.3 | 0 | 111.4 | Y859 K860 V875 A876 L882 | Y859-K879 PolarHBondContact O-NZ 3.49Å; K860-K879 PolarHBondContact O-NZ 3.21Å; V875-K879 WeakPolarHBondContact O-CB 3.46Å; V875-K879 PolarHBondContact O-N 2.92Å; A876-K879 PolarHBondContact O-N 3.32Å; K879-L882 PolarHBondContact O-N 3.42Å |
| 880 | H | 91.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 12% | 0.116 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -50.5 | 175.4 | -179 | 81.2 | 0 | 0 | 0 | 111.7 | A876 W877 N878 L882 L883 N884 Q893 T914 | A876-H880 WeakPolarHBondContact O-CB 3.09Å; A876-H880 PolarHBondContact O-N 3Å; W877-H880 WeakPolarHBondContact O-CB 3.28Å; W877-H880 PolarHBondContact O-N 2.9Å; N878-H880 VanDerWaalsContact C-N 3.29Å; N878-H880 PolarHBondContact O-N 3.01Å; H880-L882 PolarHBondContact O-N 3.27Å; H880-L883 PolarHBondContact O-N 3.42Å; H880-N884 PolarHBondContact CE1-ND2 2.75Å; H880-N884 PolarHBondContact ND1-ND2 3.27Å; H880-N884 WeakPolarHBondContact O-CB 3.23Å; H880-N884 PolarHBondContact O-N 2.93Å; H880-Q893 PolarHBondContact NE2-OE1 2.89Å; H880-T914 HydrophobicContact CB-CG2 4.32Å; H880-T914 PolarHBondContact CE1-OG1 2.61Å; H880-T914 VanDerWaalsContact CE1-OG1 3.27Å |
| 881 | K | 91.2 | Very high | 93.2 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.4 | -26.2 | 177.4 | -81.5 | -143.3 | 71.6 | -141.4 | 0 | 114.8 | W877 N878 L883 E885 | W877-K881 PolarHBondContact O-N 2.93Å; N878-K881 PolarHBondContact O-N 3.46Å; K881-L883 PolarHBondContact O-N 2.66Å; K881-E885 VanDerWaalsContact CE-OE1 3.27Å; K881-E885 WeakPolarHBondContact CE-OE1 3.44Å; K881-E885 IonicContact NZ-OE1 3.15Å; K881-E885 PolarHBondContact NZ-OE1 3.2Å; K881-E885 IonicContact NZ-OE2 3.16Å |
| 882 | L | 89.5 | Confident | 93.4 | Very high | 89 Ų | 89 | 39.2 Ų | 39.2 | 47% | 0.466 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -14.3 | 175.7 | -73.3 | 167.1 | 0 | 0 | 0 | 113.7 | Y859 N878 K879 H880 | Y859-L882 HydrophobicContact CE2-CB 4.04Å; Y859-L882 HydrophobicContact CE2-CD1 4.48Å; N878-L882 WeakPolarHBondContact O-CG 3.45Å; N878-L882 PolarHBondContact O-N 2.99Å; N878-L882 VanDerWaalsContact O-N 3.08Å; K879-L882 PolarHBondContact O-N 3.42Å; H880-L882 PolarHBondContact O-N 3.27Å |
| 883 | L | 88.6 | Confident | 93.6 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 29% | 0.293 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -26.2 | 176.9 | -63.1 | 175.3 | 0 | 0 | 0 | 112.6 | N851 A853 K857 Y859 H880 K881 | N851-L883 PolarHBondContact ND2-O 3.08Å; A853-L883 WeakPolarHBondContact CB-O 3.14Å; K857-L883 WeakPolarHBondContact O-CD2 3.33Å; Y859-L883 HydrophobicContact CD2-CD2 4.01Å; Y859-L883 HydrophobicContact CD2-CG 4.33Å; Y859-L883 HydrophobicContact CE2-CD2 4.33Å; H880-L883 PolarHBondContact O-N 3.42Å; K881-L883 PolarHBondContact O-N 2.66Å |
| 884 | N | 92.2 | Very high | 93.7 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | trans | -136 | 99 | -165.9 | -61.3 | -36.8 | 0 | 0 | 0 | 109.8 | H847 H880 V889 | H847-N884 WeakPolarHBondContact NE2-CB 3.43Å; H880-N884 PolarHBondContact CE1-ND2 2.75Å; H880-N884 PolarHBondContact ND1-ND2 3.27Å; H880-N884 WeakPolarHBondContact O-CB 3.23Å; H880-N884 PolarHBondContact O-N 2.93Å; N884-V889 HydrophobicContact CB-CG2 4.21Å | ||
| 885 | E | 94.9 | Very high | 93.8 | Very high | 84 Ų | 84 | 36.8 Ų | 36.8 | 39% | 0.393 | 20% | 0.198 | S | C | . | . | trans | -137.2 | 93.2 | 178 | 178.2 | 142.7 | -121 | 0 | 0 | 111.6 | N851 K852 K881 | N851-E885 PolarHBondContact OD1-N 2.65Å; K852-E885 HydrophobicContact CB-CG 4.46Å; K852-E885 WeakPolarHBondContact CB-O 3.41Å; K852-E885 PolarHBondContact N-O 3.4Å; K881-E885 VanDerWaalsContact CE-OE1 3.27Å; K881-E885 WeakPolarHBondContact CE-OE1 3.44Å; K881-E885 IonicContact NZ-OE1 3.15Å; K881-E885 PolarHBondContact NZ-OE1 3.2Å; K881-E885 IonicContact NZ-OE2 3.16Å | ||
| 886 | S | 96.5 | Very high | 94 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 6% | 0.056 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -142 | 176.1 | 169.7 | 86 | 0 | 0 | 0 | 0 | 111.9 | H847 L850 I888 V889 A890 | H847-S886 PolarHBondContact ND1-OG 3.3Å; H847-S886 VanDerWaalsContact ND1-OG 3.1Å; L850-S886 WeakPolarHBondContact O-CB 3.38Å; S886-I888 PolarHBondContact O-N 3.13Å; S886-I888 PolarHBondContact OG-N 3.25Å; S886-I888 VanDerWaalsContact OG-N 3.14Å; S886-V889 WeakPolarHBondContact O-CB 3.47Å; S886-V889 PolarHBondContact O-N 2.99Å; S886-V889 VanDerWaalsContact O-N 3.16Å; S886-A890 PolarHBondContact O-N 3.38Å; S886-A890 VanDerWaalsContact O-N 3.16Å |
| 887 | I | 96.8 | Very high | 94.2 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.6 | -30 | 172.5 | -172.9 | 164.9 | 0 | 0 | 0 | 112.9 | Y770 L850 A890 L891 | Y770-I887 VanDerWaalsContact CB-CD1 3.46Å; Y770-I887 HydrophobicContact CD1-CD1 3.62Å; Y770-I887 HydrophobicContact CD1-CG2 4.12Å; Y770-I887 HydrophobicContact CD2-CD1 3.68Å; Y770-I887 HydrophobicContact CE1-CB 4.26Å; Y770-I887 HydrophobicContact CE1-CD1 4.14Å; Y770-I887 HydrophobicContact CE1-CG2 3.61Å; Y770-I887 HydrophobicContact CE2-CB 4.35Å; Y770-I887 HydrophobicContact CE2-CD1 4.2Å; Y770-I887 HydrophobicContact CG-CD1 3.33Å; L850-I887 HydrophobicContact CD1-CG2 4.02Å; I887-A890 PolarHBondContact O-N 3.49Å; I887-L891 HydrophobicContact CD1-CD1 3.91Å; I887-L891 HydrophobicContact CG1-CD1 3.67Å; I887-L891 HydrophobicContact CG1-CG 3.89Å; I887-L891 WeakPolarHBondContact O-CB 3.41Å; I887-L891 WeakPolarHBondContact O-CG 3.36Å; I887-L891 PolarHBondContact O-N 3.35Å |
| 888 | I | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.6 | -42.7 | 178.9 | -52.8 | -56.4 | 0 | 0 | 0 | 110.6 | M767 M843 L846 H847 S886 A890 L891 F892 M916 | M767-I888 HydrophobicContact CE-CD1 3.87Å; M843-I888 HydrophobicContact CE-CG2 4.24Å; L846-I888 HydrophobicContact CB-CD1 4.07Å; L846-I888 HydrophobicContact CB-CG1 4.14Å; H847-I888 HydrophobicContact CB-CB 4.08Å; H847-I888 HydrophobicContact CB-CG1 4.23Å; H847-I888 HydrophobicContact CB-CG2 4.28Å; S886-I888 PolarHBondContact O-N 3.13Å; S886-I888 PolarHBondContact OG-N 3.25Å; S886-I888 VanDerWaalsContact OG-N 3.14Å; I888-A890 VanDerWaalsContact C-N 3.31Å; I888-A890 PolarHBondContact O-N 3.32Å; I888-L891 PolarHBondContact O-N 2.98Å; I888-F892 HydrophobicContact CD1-CD2 4.31Å; I888-F892 HydrophobicContact CD1-CE2 4.15Å; I888-F892 HydrophobicContact CG2-CD2 4.11Å; I888-F892 PolarHBondContact O-N 3.14Å; I888-M916 HydrophobicContact CG2-CE 3.77Å; I888-M916 HydrophobicContact CG2-SD 3.74Å |
| 889 | V | 95.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | H847 W877 N884 S886 | H847-V889 WeakPolarHBondContact CE1-CG2 3.2Å; W877-V889 HydrophobicContact CZ2-CG1 4.46Å; N884-V889 HydrophobicContact CB-CG2 4.21Å; S886-V889 WeakPolarHBondContact O-CB 3.47Å; S886-V889 PolarHBondContact O-N 2.99Å; S886-V889 VanDerWaalsContact O-N 3.16Å |
| 890 | A | 95.9 | Very high | 94.8 | Very high | 66 Ų | 66 | 28.2 Ų | 28.2 | 55% | 0.545 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -71.7 | -37.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S886 I887 I888 | S886-A890 PolarHBondContact O-N 3.38Å; S886-A890 VanDerWaalsContact O-N 3.16Å; I887-A890 PolarHBondContact O-N 3.49Å; I888-A890 VanDerWaalsContact C-N 3.31Å; I888-A890 PolarHBondContact O-N 3.32Å |
| 891 | L | 96.6 | Very high | 95 | Very high | 15 Ų | 15 | 29 Ų | 29 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -93.5 | -38.4 | -175.2 | -67 | -175.5 | 0 | 0 | 0 | 114.2 | R766 M767 I887 I888 P971 I972 L1075 | R766-L891 HydrophobicContact CB-CD1 4.27Å; R766-L891 HydrophobicContact CB-CD2 4.13Å; M767-L891 HydrophobicContact CB-CD1 4.03Å; I887-L891 HydrophobicContact CD1-CD1 3.91Å; I887-L891 HydrophobicContact CG1-CD1 3.67Å; I887-L891 HydrophobicContact CG1-CG 3.89Å; I887-L891 WeakPolarHBondContact O-CB 3.41Å; I887-L891 WeakPolarHBondContact O-CG 3.36Å; I887-L891 PolarHBondContact O-N 3.35Å; I888-L891 PolarHBondContact O-N 2.98Å; L891-P971 WeakPolarHBondContact O-CD 3.38Å; L891-I972 HydrophobicContact CB-CG1 4.29Å; L891-I972 WeakPolarHBondContact O-CB 3.3Å; L891-I972 PolarHBondContact O-N 3.09Å; L891-L1075 HydrophobicContact CD2-CD1 3.8Å |
| 892 | F | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -117 | -15.3 | -165.7 | -59.7 | -87.1 | 0 | 0 | 0 | 115.2 | L761 T764 M767 M843 I888 G894 P970 I972 L974 | L761-F892 HydrophobicContact CD2-CE1 4.34Å; L761-F892 HydrophobicContact CD2-CZ 4.1Å; T764-F892 HydrophobicContact CG2-CE1 4.29Å; T764-F892 HydrophobicContact CG2-CZ 3.91Å; M767-F892 HydrophobicContact CE-CE2 4.46Å; M767-F892 HydrophobicContact SD-CE2 3.97Å; M767-F892 HydrophobicContact SD-CZ 3.84Å; M843-F892 HydrophobicContact CE-CB 3.44Å; M843-F892 VanDerWaalsContact CE-CB 3.44Å; M843-F892 HydrophobicContact CE-CD1 3.81Å; M843-F892 HydrophobicContact CE-CD2 4.06Å; M843-F892 HydrophobicContact CE-CG 3.54Å; I888-F892 HydrophobicContact CD1-CD2 4.31Å; I888-F892 HydrophobicContact CD1-CE2 4.15Å; I888-F892 HydrophobicContact CG2-CD2 4.11Å; I888-F892 PolarHBondContact O-N 3.14Å; F892-G894 PolarHBondContact O-N 3.19Å; F892-P970 VanDerWaalsContact O-CB 3.29Å; F892-P970 WeakPolarHBondContact O-CB 3.39Å; F892-P970 VanDerWaalsContact O-CG 3.29Å; F892-P970 WeakPolarHBondContact O-CG 3.39Å; F892-I972 HydrophobicContact CD1-CB 3.88Å; F892-I972 HydrophobicContact CD1-CG2 3.64Å; F892-I972 HydrophobicContact CE1-CB 4Å; F892-I972 HydrophobicContact CE1-CG2 3.44Å; F892-I972 VanDerWaalsContact CE1-CG2 3.44Å; F892-I972 HydrophobicContact CZ-CG2 4.39Å; F892-L974 HydrophobicContact CD1-CD1 3.71Å; F892-L974 HydrophobicContact CD1-CD2 4.33Å; F892-L974 HydrophobicContact CD1-CG 3.91Å; F892-L974 HydrophobicContact CE1-CD1 4.06Å; F892-L974 HydrophobicContact CE1-CD2 4.19Å; F892-L974 HydrophobicContact CE1-CG 4.26Å |
| 893 | Q | 96.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 5% | 0.047 | 14% | 0.136 | C | C | . | . | trans | -88 | 117.4 | -173.8 | -70.8 | -176.6 | -2.5 | 0 | 0 | 114.5 | W877 H880 F915 M916 | W877-Q893 HydrophobicContact CH2-CB 4.11Å; W877-Q893 WeakPolarHBondContact CH2-O 3.05Å; H880-Q893 PolarHBondContact NE2-OE1 2.89Å; Q893-F915 VanDerWaalsContact CA-O 3.3Å; Q893-F915 WeakPolarHBondContact CA-O 3.32Å; Q893-M916 HydrophobicContact CG-SD 3.5Å; Q893-M916 VanDerWaalsContact CG-SD 3.5Å; Q893-M916 VanDerWaalsContact NE2-CE 3.29Å; Q893-M916 PolarHBondContact NE2-SD 3.21Å | ||
| 894 | G | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -173.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F892 T914 F915 K968 | F892-G894 PolarHBondContact O-N 3.19Å; G894-T914 VanDerWaalsContact O-CA 3.3Å; G894-T914 WeakPolarHBondContact O-CA 3.48Å; G894-F915 PolarHBondContact N-O 2.85Å; G894-F915 PolarHBondContact O-N 2.83Å; G894-K968 WeakPolarHBondContact CA-O 3.44Å |
| 895 | Q | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 131.5 | 177.1 | -160.3 | 177.3 | 22.5 | 0 | 0 | 110 | A873 W877 F912 E913 F915 W967 K968 | A873-Q895 PolarHBondContact O-NE2 3.42Å; W877-Q895 HydrophobicContact CE3-CB 4.19Å; W877-Q895 HydrophobicContact CE3-CG 4.39Å; W877-Q895 HydrophobicContact CZ3-CB 4.39Å; Q895-F912 HydrophobicContact CG-CB 4.41Å; Q895-E913 CarbonylContact C-O 3.55Å; Q895-E913 WeakPolarHBondContact CA-O 3.41Å; Q895-F915 VanDerWaalsContact N-CE1 3.27Å; Q895-W967 HydrophobicContact CB-CB 4.47Å; Q895-W967 WeakPolarHBondContact O-CA 3.46Å; Q895-W967 WeakPolarHBondContact O-CB 3.43Å; Q895-W967 PolarHBondContact O-N 2.75Å; Q895-W967 VanDerWaalsContact OE1-CD1 3.31Å; Q895-K968 HydrophobicContact CB-CB 3.94Å; Q895-K968 PolarHBondContact N-O 3.36Å; Q895-K968 PolarHBondContact O-N 3.48Å |
| 896 | F | 97.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 9% | 0.092 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 156.1 | 167.3 | -63.4 | -51 | 0 | 0 | 0 | 110.7 | F912 E913 F915 L918 F937 L964 E965 I966 | F896-F912 VanDerWaalsContact O-CA 3.32Å; F896-F912 WeakPolarHBondContact O-CA 3.37Å; F896-E913 HydrophobicContact CB-CG 4.01Å; F896-E913 HydrophobicContact CD2-CG 4.29Å; F896-E913 PolarHBondContact N-O 3.26Å; F896-E913 PolarHBondContact O-N 3.33Å; F896-E913 VanDerWaalsContact O-N 3.17Å; F896-F915 AromaticContact CD1-CD1 3.57Å; F896-F915 HydrophobicContact CD1-CD1 3.57Å; F896-F915 AromaticContact CD1-CE1 3.66Å; F896-F915 HydrophobicContact CD1-CE1 3.66Å; F896-F915 HydrophobicContact CD2-CB 3.95Å; F896-F915 AromaticContact CD2-CD1 3.67Å; F896-F915 HydrophobicContact CD2-CD1 3.67Å; F896-F915 HydrophobicContact CD2-CG 4.16Å; F896-F915 AromaticContact CE1-CD1 3.43Å; F896-F915 HydrophobicContact CE1-CD1 3.43Å; F896-F915 VanDerWaalsContact CE1-CD1 3.43Å; F896-F915 AromaticContact CE1-CE1 3.51Å; F896-F915 HydrophobicContact CE1-CE1 3.51Å; F896-F915 HydrophobicContact CE1-CG 4.02Å; F896-F915 HydrophobicContact CE1-CZ 4.18Å; F896-F915 HydrophobicContact CE2-CB 3.4Å; F896-F915 AromaticContact CE2-CD1 3.56Å; F896-F915 HydrophobicContact CE2-CD1 3.56Å; F896-F915 HydrophobicContact CE2-CE1 4.47Å; F896-F915 AromaticContact CE2-CG 3.65Å; F896-F915 HydrophobicContact CE2-CG 3.65Å; F896-F915 AromaticContact CG-CD1 3.67Å; F896-F915 HydrophobicContact CG-CD1 3.67Å; F896-F915 HydrophobicContact CG-CE1 4.18Å; F896-F915 HydrophobicContact CZ-CB 3.8Å; F896-F915 AromaticContact CZ-CD1 3.42Å; F896-F915 HydrophobicContact CZ-CD1 3.42Å; F896-F915 VanDerWaalsContact CZ-CD1 3.42Å; F896-F915 HydrophobicContact CZ-CD2 4.18Å; F896-F915 AromaticContact CZ-CE1 3.95Å; F896-F915 HydrophobicContact CZ-CE1 3.95Å; F896-F915 AromaticContact CZ-CG 3.55Å; F896-F915 HydrophobicContact CZ-CG 3.55Å; F896-L918 HydrophobicContact CE1-CD2 3.59Å; F896-L918 HydrophobicContact CZ-CD2 3.67Å; F896-F937 HydrophobicContact CD1-CE1 4.22Å; F896-F937 HydrophobicContact CD1-CZ 4.37Å; F896-F937 AromaticContact CE1-CE1 3.59Å; F896-F937 HydrophobicContact CE1-CE1 3.59Å; F896-F937 AromaticContact CE1-CZ 3.57Å; F896-F937 HydrophobicContact CE1-CZ 3.57Å; F896-F937 HydrophobicContact CE2-CZ 4.23Å; F896-F937 HydrophobicContact CZ-CE1 4.03Å; F896-F937 AromaticContact CZ-CZ 3.5Å; F896-F937 HydrophobicContact CZ-CZ 3.5Å; F896-F937 VanDerWaalsContact CZ-CZ 3.5Å; F896-L964 HydrophobicContact CB-CD2 4.12Å; F896-L964 HydrophobicContact CD2-CD2 4.17Å; F896-L964 HydrophobicContact CG-CD2 4.18Å; F896-E965 CarbonylContact C-O 3.5Å; F896-E965 VanDerWaalsContact CA-O 3.31Å; F896-E965 WeakPolarHBondContact CA-O 3.47Å; F896-I966 HydrophobicContact CD1-CG1 4.39Å; F896-I966 HydrophobicContact CE1-CG1 4.23Å |
| 897 | K | 96.1 | Very high | 95.9 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 13% | 0.13 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.2 | 154 | -179 | -174.2 | 174.5 | -173 | 0 | 107.6 | D869 F912 E965 I1008 | D869-K897 IonicContact OD1-NZ 3.64Å; D869-K897 WeakPolarHBondContact OD2-CE 3.44Å; D869-K897 IonicContact OD2-NZ 2.59Å; D869-K897 PolarHBondContact OD2-NZ 3.47Å; K897-F912 HydrophobicContact CB-CD1 4Å; K897-F912 HydrophobicContact CB-CE1 3.64Å; K897-F912 HydrophobicContact CB-CZ 4.37Å; K897-F912 HydrophobicContact CD-CE1 4.13Å; K897-F912 HydrophobicContact CD-CZ 4.14Å; K897-F912 HydrophobicContact CG-CD1 4.33Å; K897-F912 HydrophobicContact CG-CE1 3.71Å; K897-F912 HydrophobicContact CG-CZ 3.92Å; K897-E965 HydrophobicContact CB-CB 4.43Å; K897-E965 PolarHBondContact N-O 3.32Å; K897-E965 PolarHBondContact O-N 3Å; K897-I1008 HydrophobicContact CB-CD1 4.04Å; K897-I1008 HydrophobicContact CD-CD1 3.64Å |
| 898 | S | 95.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119 | 171.6 | -125.9 | 0 | 0 | 0 | 0 | 108.1 | R910 T911 E913 K962 L964 | S898-R910 CarbonylContact O-C 3.54Å; S898-R910 VanDerWaalsContact O-CA 3.29Å; S898-R910 WeakPolarHBondContact O-CA 3.41Å; S898-T911 VanDerWaalsContact CB-OG1 3.25Å; S898-T911 WeakPolarHBondContact CB-OG1 3.42Å; S898-T911 PolarHBondContact N-O 3.36Å; S898-T911 PolarHBondContact O-N 3.04Å; S898-E913 WeakPolarHBondContact CB-OE1 3.39Å; S898-E913 PolarHBondContact OG-OE1 3.43Å; S898-K962 VanDerWaalsContact OG-CE 3.27Å; S898-K962 WeakPolarHBondContact OG-CE 3.21Å; S898-L964 WeakPolarHBondContact OG-CD2 3.38Å |
| 899 | T | 94.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.9 | 173.5 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | K908 K962 K963 | T899-K908 HydrophobicContact CG2-CD 4.42Å; T899-K962 CarbonylContact O-C 2.85Å; T899-K962 WeakPolarHBondContact O-CA 3.48Å; T899-K963 PolarHBondContact N-O 2.98Å; T899-K963 PolarHBondContact O-N 3.46Å |
| 900 | V | 94.9 | Very high | 95 | Very high | 23 Ų | 23 | 44 Ų | 44 | 14% | 0.139 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.4 | 174.8 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | K908 S909 V949 T961 K962 | V900-K908 CarbonylContact O-C 3.59Å; V900-K908 WeakPolarHBondContact O-CA 3.36Å; V900-S909 PolarHBondContact N-O 3.3Å; V900-S909 PolarHBondContact O-N 3Å; V900-V949 HydrophobicContact CG1-CB 4.3Å; V900-V949 HydrophobicContact CG1-CG1 4.21Å; V900-V949 HydrophobicContact CG1-CG2 4.22Å; V900-T961 CarbonylContact C-O 3.44Å; V900-T961 VanDerWaalsContact CA-O 3.27Å; V900-T961 WeakPolarHBondContact CA-O 3.3Å; V900-K962 HydrophobicContact CG2-CB 4.41Å; V900-K962 HydrophobicContact CG2-CG 4.19Å |
| 901 | Q | 95.8 | Very high | 94.8 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 19% | 0.192 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121 | 173.9 | -168.6 | 172.4 | 6.8 | 0 | 0 | 110.8 | L903 H906 K908 S960 T961 | Q901-L903 PolarHBondContact O-N 2.94Å; Q901-H906 WeakPolarHBondContact CG-O 3.46Å; Q901-H906 PolarHBondContact NE2-O 3.39Å; Q901-K908 HydrophobicContact CB-CG 3.89Å; Q901-K908 HydrophobicContact CG-CG 3.68Å; Q901-S960 CarbonylContact O-C 3.57Å; Q901-S960 WeakPolarHBondContact O-CA 3.47Å; Q901-S960 WeakPolarHBondContact O-CB 3.48Å; Q901-T961 PolarHBondContact N-O 2.95Å; Q901-T961 PolarHBondContact O-N 3.32Å |
| 902 | C | 95.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.034 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 124.4 | 173.6 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | T904 C905 H906 R907 C951 | C902-T904 PolarHBondContact O-N 3.42Å; C902-T904 PolarHBondContact SG-N 3.43Å; C902-C905 VanDerWaalsContact SG-SG 3.66Å; C902-H906 WeakPolarHBondContact O-CA 3.38Å; C902-H906 PolarHBondContact O-N 3.47Å; C902-R907 PolarHBondContact N-O 3.24Å; C902-R907 VanDerWaalsContact N-O 3.13Å; C902-C951 HydrophobicContact CB-CB 4.07Å |
| 903 | L | 96.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 34% | 0.34 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.1 | -178.8 | -63.2 | 176.1 | 0 | 0 | 0 | 113.7 | Q901 H906 D959 T961 | Q901-L903 PolarHBondContact O-N 2.94Å; L903-H906 PolarHBondContact O-CE1 3.03Å; L903-D959 VanDerWaalsContact CB-O 3.28Å; L903-D959 WeakPolarHBondContact CB-O 3.33Å; L903-D959 HydrophobicContact CD1-CB 4.22Å; L903-D959 PolarHBondContact N-O 3.18Å; L903-T961 HydrophobicContact CD2-CG2 4.19Å |
| 904 | T | 96.1 | Very high | 94.3 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 52% | 0.515 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -30 | -179.7 | -47.5 | 0 | 0 | 0 | 0 | 114.2 | C902 R958 | C902-T904 PolarHBondContact O-N 3.42Å; C902-T904 PolarHBondContact SG-N 3.43Å; T904-R958 WeakPolarHBondContact OG1-CD 3.49Å |
| 905 | C | 95.9 | Very high | 94.3 | Very high | 39 Ų | 39 | 51 Ų | 51 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 2.8 | 177.2 | 71 | 0 | 0 | 0 | 0 | 113.8 | C902 R907 C951 | C902-C905 VanDerWaalsContact SG-SG 3.66Å; C905-R907 PolarHBondContact O-N 3.45Å; C905-C951 VanDerWaalsContact SG-SG 3.62Å |
| 906 | H | 95.2 | Very high | 94.2 | Very high | 124 Ų | 124 | 52 Ų | 52 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | trans | 56 | 0 | 178.7 | -52.1 | -55 | 0 | 0 | 0 | 116.7 | Q901 C902 L903 K908 | Q901-H906 WeakPolarHBondContact CG-O 3.46Å; Q901-H906 PolarHBondContact NE2-O 3.39Å; C902-H906 WeakPolarHBondContact O-CA 3.38Å; C902-H906 PolarHBondContact O-N 3.47Å; L903-H906 PolarHBondContact O-CE1 3.03Å; H906-K908 PolarHBondContact O-N 2.59Å | ||
| 907 | R | 92.3 | Very high | 94 | Very high | 136 Ų | 136 | 52.9 Ų | 52.9 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | trans | -60.7 | 130.5 | 171.9 | -173.1 | 178.9 | -69.6 | -114.3 | 2.7 | 109.8 | C902 C905 H953 | C902-R907 PolarHBondContact N-O 3.24Å; C902-R907 VanDerWaalsContact N-O 3.13Å; C905-R907 PolarHBondContact O-N 3.45Å; R907-H953 VanDerWaalsContact CZ-CD2 3.48Å; R907-H953 PolarHBondContact NE-CD2 3.31Å; R907-H953 VanDerWaalsContact NE-CD2 3.28Å; R907-H953 PolarHBondContact NH2-CD2 2.98Å; R907-H953 PolarHBondContact NH2-NE2 2.93Å; R907-H953 VanDerWaalsContact NH2-NE2 3.16Å | ||
| 908 | K | 91.1 | Very high | 94.1 | Very high | 122 Ų | 122 | 51.5 Ų | 51.5 | 53% | 0.53 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 143.4 | 169.2 | -65.7 | -174.8 | 173.2 | -174.7 | 0 | 109.4 | T899 V900 Q901 H906 | T899-K908 HydrophobicContact CG2-CD 4.42Å; V900-K908 CarbonylContact O-C 3.59Å; V900-K908 WeakPolarHBondContact O-CA 3.36Å; Q901-K908 HydrophobicContact CB-CG 3.89Å; Q901-K908 HydrophobicContact CG-CG 3.68Å; H906-K908 PolarHBondContact O-N 2.59Å |
| 909 | S | 89.8 | Confident | 94.1 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.7 | 165.6 | 51.8 | 0 | 0 | 0 | 0 | 108 | V900 | V900-S909 PolarHBondContact N-O 3.3Å; V900-S909 PolarHBondContact O-N 3Å |
| 910 | R | 90.9 | Very high | 94.3 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.7 | 176.5 | 65.2 | 178.2 | 178.2 | -149.7 | -17.7 | 110.8 | N864 D865 L867 D869 S898 | N864-R910 PolarHBondContact O-NH2 2.63Å; D865-R910 PolarHBondContact O-NH2 3.09Å; L867-R910 PolarHBondContact O-NH1 3.48Å; L867-R910 PolarHBondContact O-NH2 3.11Å; D869-R910 VanDerWaalsContact OD1-CD 3.27Å; D869-R910 WeakPolarHBondContact OD1-CD 3.37Å; D869-R910 IonicContact OD1-CZ 3.72Å; D869-R910 IonicContact OD1-NE 2.71Å; D869-R910 IonicContact OD1-NH1 2.69Å; D869-R910 PolarHBondContact OD1-NH1 2.79Å; S898-R910 CarbonylContact O-C 3.54Å; S898-R910 VanDerWaalsContact O-CA 3.29Å; S898-R910 WeakPolarHBondContact O-CA 3.41Å |
| 911 | T | 92 | Very high | 94.3 | Very high | 78 Ų | 78 | 51.9 Ų | 51.9 | 48% | 0.479 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 153.3 | 167.3 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | S898 | S898-T911 VanDerWaalsContact CB-OG1 3.25Å; S898-T911 WeakPolarHBondContact CB-OG1 3.42Å; S898-T911 PolarHBondContact N-O 3.36Å; S898-T911 PolarHBondContact O-N 3.04Å |
| 912 | F | 93.8 | Very high | 94.3 | Very high | 24 Ų | 24 | 51 Ų | 51 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 109.5 | 173.2 | -70.2 | -86.8 | 0 | 0 | 0 | 108.4 | D869 A872 A873 A876 Q895 F896 K897 W967 | D869-F912 HydrophobicContact CB-CZ 3.97Å; D869-F912 WeakPolarHBondContact O-CZ 3.38Å; A872-F912 HydrophobicContact CB-CD2 3.97Å; A872-F912 HydrophobicContact CB-CE2 3.58Å; A873-F912 HydrophobicContact CB-CD1 3.6Å; A873-F912 HydrophobicContact CB-CD2 4.3Å; A873-F912 HydrophobicContact CB-CE1 3.68Å; A873-F912 HydrophobicContact CB-CE2 4.38Å; A873-F912 HydrophobicContact CB-CG 3.92Å; A873-F912 HydrophobicContact CB-CZ 4.08Å; A876-F912 HydrophobicContact CB-CB 3.81Å; Q895-F912 HydrophobicContact CG-CB 4.41Å; F896-F912 VanDerWaalsContact O-CA 3.32Å; F896-F912 WeakPolarHBondContact O-CA 3.37Å; K897-F912 HydrophobicContact CB-CD1 4Å; K897-F912 HydrophobicContact CB-CE1 3.64Å; K897-F912 HydrophobicContact CB-CZ 4.37Å; K897-F912 HydrophobicContact CD-CE1 4.13Å; K897-F912 HydrophobicContact CD-CZ 4.14Å; K897-F912 HydrophobicContact CG-CD1 4.33Å; K897-F912 HydrophobicContact CG-CE1 3.71Å; K897-F912 HydrophobicContact CG-CZ 3.92Å; F912-W967 HydrophobicContact CD1-CB 4.38Å; F912-W967 HydrophobicContact CD1-CD2 4.37Å; F912-W967 HydrophobicContact CD1-CG 4.16Å; F912-W967 HydrophobicContact CE1-CB 4.42Å; F912-W967 AromaticContact CE1-CD2 3.77Å; F912-W967 HydrophobicContact CE1-CD2 3.77Å; F912-W967 AromaticContact CE1-CE3 3.79Å; F912-W967 HydrophobicContact CE1-CE3 3.79Å; F912-W967 HydrophobicContact CE1-CG 4.02Å; F912-W967 HydrophobicContact CE1-CZ3 4.39Å |
| 913 | E | 91.7 | Very high | 94.2 | Very high | 75 Ų | 75 | 53 Ų | 53 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.7 | -171.2 | 60.3 | -166.4 | 160.9 | 0 | 0 | 110.3 | Q895 F896 S898 L964 | Q895-E913 CarbonylContact C-O 3.55Å; Q895-E913 WeakPolarHBondContact CA-O 3.41Å; F896-E913 HydrophobicContact CB-CG 4.01Å; F896-E913 HydrophobicContact CD2-CG 4.29Å; F896-E913 PolarHBondContact N-O 3.26Å; F896-E913 PolarHBondContact O-N 3.33Å; F896-E913 VanDerWaalsContact O-N 3.17Å; S898-E913 WeakPolarHBondContact CB-OE1 3.39Å; S898-E913 PolarHBondContact OG-OE1 3.43Å; E913-L964 VanDerWaalsContact OE1-CD2 3.3Å; E913-L964 WeakPolarHBondContact OE1-CD2 3.35Å |
| 914 | T | 94.1 | Very high | 94.1 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 151.6 | -178.7 | 51 | 0 | 0 | 0 | 0 | 112 | W877 H880 G894 | W877-T914 HydrophobicContact CE3-CG2 3.99Å; W877-T914 HydrophobicContact CZ3-CG2 3.77Å; H880-T914 HydrophobicContact CB-CG2 4.32Å; H880-T914 PolarHBondContact CE1-OG1 2.61Å; H880-T914 VanDerWaalsContact CE1-OG1 3.27Å; G894-T914 VanDerWaalsContact O-CA 3.3Å; G894-T914 WeakPolarHBondContact O-CA 3.48Å |
| 915 | F | 95.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 142.1 | 178.1 | 68.6 | -100 | 0 | 0 | 0 | 112.6 | Q893 G894 Q895 F896 L918 I966 | Q893-F915 VanDerWaalsContact CA-O 3.3Å; Q893-F915 WeakPolarHBondContact CA-O 3.32Å; G894-F915 PolarHBondContact N-O 2.85Å; G894-F915 PolarHBondContact O-N 2.83Å; Q895-F915 VanDerWaalsContact N-CE1 3.27Å; F896-F915 AromaticContact CD1-CD1 3.57Å; F896-F915 HydrophobicContact CD1-CD1 3.57Å; F896-F915 AromaticContact CD1-CE1 3.66Å; F896-F915 HydrophobicContact CD1-CE1 3.66Å; F896-F915 HydrophobicContact CD2-CB 3.95Å; F896-F915 AromaticContact CD2-CD1 3.67Å; F896-F915 HydrophobicContact CD2-CD1 3.67Å; F896-F915 HydrophobicContact CD2-CG 4.16Å; F896-F915 AromaticContact CE1-CD1 3.43Å; F896-F915 HydrophobicContact CE1-CD1 3.43Å; F896-F915 VanDerWaalsContact CE1-CD1 3.43Å; F896-F915 AromaticContact CE1-CE1 3.51Å; F896-F915 HydrophobicContact CE1-CE1 3.51Å; F896-F915 HydrophobicContact CE1-CG 4.02Å; F896-F915 HydrophobicContact CE1-CZ 4.18Å; F896-F915 HydrophobicContact CE2-CB 3.4Å; F896-F915 AromaticContact CE2-CD1 3.56Å; F896-F915 HydrophobicContact CE2-CD1 3.56Å; F896-F915 HydrophobicContact CE2-CE1 4.47Å; F896-F915 AromaticContact CE2-CG 3.65Å; F896-F915 HydrophobicContact CE2-CG 3.65Å; F896-F915 AromaticContact CG-CD1 3.67Å; F896-F915 HydrophobicContact CG-CD1 3.67Å; F896-F915 HydrophobicContact CG-CE1 4.18Å; F896-F915 HydrophobicContact CZ-CB 3.8Å; F896-F915 AromaticContact CZ-CD1 3.42Å; F896-F915 HydrophobicContact CZ-CD1 3.42Å; F896-F915 VanDerWaalsContact CZ-CD1 3.42Å; F896-F915 HydrophobicContact CZ-CD2 4.18Å; F896-F915 AromaticContact CZ-CE1 3.95Å; F896-F915 HydrophobicContact CZ-CE1 3.95Å; F896-F915 AromaticContact CZ-CG 3.55Å; F896-F915 HydrophobicContact CZ-CG 3.55Å; F915-L918 HydrophobicContact CD2-CD2 3.98Å; F915-L918 HydrophobicContact CE1-CD2 4.32Å; F915-L918 HydrophobicContact CE2-CD2 3.53Å; F915-L918 HydrophobicContact CE2-CG 4.09Å; F915-L918 HydrophobicContact CZ-CD2 3.71Å; F915-I966 HydrophobicContact CE1-CG2 4.37Å; F915-I966 HydrophobicContact CZ-CG2 4.34Å |
| 916 | M | 93.4 | Very high | 93.6 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -84.4 | -31.7 | 172.9 | -66.9 | -70.7 | -151.8 | 0 | 0 | 112.7 | M843 H847 I888 Q893 | M843-M916 HydrophobicContact CB-CE 4.42Å; M843-M916 HydrophobicContact CE-CB 3.85Å; M843-M916 HydrophobicContact CE-CG 4.34Å; M843-M916 HydrophobicContact CE-SD 3.91Å; M843-M916 HydrophobicContact SD-CB 4.34Å; H847-M916 HydrophobicContact CB-CE 4.1Å; I888-M916 HydrophobicContact CG2-CE 3.77Å; I888-M916 HydrophobicContact CG2-SD 3.74Å; Q893-M916 HydrophobicContact CG-SD 3.5Å; Q893-M916 VanDerWaalsContact CG-SD 3.5Å; Q893-M916 VanDerWaalsContact NE2-CE 3.29Å; Q893-M916 PolarHBondContact NE2-SD 3.21Å |
| 917 | Y | 94.7 | Very high | 93.6 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -152.8 | 160.5 | -177.7 | 64.3 | -82.2 | 0 | 0 | 0 | 111.7 | Q836 L840 H976 | Q836-Y917 HydrophobicContact CG-CE2 4Å; Q836-Y917 PolarHBondContact NE2-OH 3.26Å; Q836-Y917 PolarHBondContact OE1-OH 3.29Å; L840-Y917 HydrophobicContact CB-CE1 4.3Å; L840-Y917 HydrophobicContact CD1-CE1 4.27Å; Y917-H976 HydrophobicContact CD2-CB 4.09Å; Y917-H976 HydrophobicContact CE2-CB 4.31Å |
| 918 | L | 96.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.2 | 172 | -59.4 | -178.5 | 0 | 0 | 0 | 109.5 | F896 F915 L920 L934 I966 V973 L974 H976 | F896-L918 HydrophobicContact CE1-CD2 3.59Å; F896-L918 HydrophobicContact CZ-CD2 3.67Å; F915-L918 HydrophobicContact CD2-CD2 3.98Å; F915-L918 HydrophobicContact CE1-CD2 4.32Å; F915-L918 HydrophobicContact CE2-CD2 3.53Å; F915-L918 HydrophobicContact CE2-CG 4.09Å; F915-L918 HydrophobicContact CZ-CD2 3.71Å; L918-L920 HydrophobicContact CB-CD2 4.05Å; L918-L920 HydrophobicContact CB-CG 4.35Å; L918-L934 HydrophobicContact CD1-CD2 4.16Å; L918-I966 HydrophobicContact CD1-CD1 4.1Å; L918-I966 HydrophobicContact CD2-CD1 4.29Å; L918-V973 HydrophobicContact CD1-CG1 4.21Å; L918-L974 PolarHBondContact N-O 3.07Å; L918-H976 PolarHBondContact O-N 2.68Å |
| 919 | S | 96.9 | Very high | 94.2 | Very high | 22 Ų | 22 | 46 Ų | 46 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 81.2 | -177.4 | -162 | 0 | 0 | 0 | 0 | 109.6 | H976 K978 | S919-H976 PolarHBondContact OG-ND1 3.19Å; S919-K978 WeakPolarHBondContact O-CE 3.46Å; S919-K978 PolarHBondContact O-NZ 3.08Å; S919-K978 WeakPolarHBondContact OG-CE 3.09Å |
| 920 | L | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.2 | -163.6 | -57.9 | -174 | 0 | 0 | 0 | 112.9 | L918 L930 C933 L934 F937 V975 H976 K978 | L918-L920 HydrophobicContact CB-CD2 4.05Å; L918-L920 HydrophobicContact CB-CG 4.35Å; L920-L930 HydrophobicContact CD1-CD1 3.62Å; L920-C933 HydrophobicContact CB-CB 4.13Å; L920-C933 HydrophobicContact CD1-CB 4.03Å; L920-L934 HydrophobicContact CD1-CD2 3.89Å; L920-L934 HydrophobicContact CD1-CG 3.93Å; L920-L934 HydrophobicContact CD2-CD2 3.96Å; L920-F937 HydrophobicContact CD2-CB 3.69Å; L920-F937 HydrophobicContact CD2-CD1 4.42Å; L920-F937 HydrophobicContact CD2-CD2 3.84Å; L920-F937 HydrophobicContact CD2-CG 3.72Å; L920-V975 HydrophobicContact CD1-CG1 3.4Å; L920-V975 HydrophobicContact CG-CG1 3.77Å; L920-H976 PolarHBondContact N-O 3.16Å; L920-K978 VanDerWaalsContact O-CB 3.31Å; L920-K978 WeakPolarHBondContact O-CB 3.35Å; L920-K978 WeakPolarHBondContact O-CG 2.85Å; L920-K978 PolarHBondContact O-N 2.87Å |
| 921 | P | 96.1 | Very high | 94.8 | Very high | 37 Ų | 37 | 43.3 Ų | 43.3 | 24% | 0.24 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 148.6 | 167.3 | 32.7 | -34.7 | 0 | 0 | 0 | 110.8 | C933 L936 | P921-C933 WeakPolarHBondContact O-CB 3.09Å; P921-L936 HydrophobicContact CB-CD2 3.99Å; P921-L936 HydrophobicContact CB-CG 4.38Å; P921-L936 HydrophobicContact CG-CB 4.22Å; P921-L936 HydrophobicContact CG-CD2 3.87Å; P921-L936 HydrophobicContact CG-CG 3.75Å |
| 922 | L | 95.4 | Very high | 95 | Very high | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.12 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -82.5 | 125.2 | 176.8 | -62.6 | 179 | 0 | 0 | 0 | 110.8 | S924 L977 R979 L990 V994 | L922-S924 PolarHBondContact O-N 3.34Å; L922-L977 HydrophobicContact CD2-CB 4.22Å; L922-L977 HydrophobicContact CD2-CD2 4.27Å; L922-R979 HydrophobicContact CD1-CG 4.18Å; L922-L990 HydrophobicContact CD1-CB 3.68Å; L922-L990 HydrophobicContact CD1-CD1 3.91Å; L922-L990 HydrophobicContact CD1-CG 4.46Å; L922-V994 HydrophobicContact CD2-CG2 3.61Å |
| 923 | A | 93.6 | Very high | 95.2 | Very high | 46 Ų | 46 | 40.9 Ų | 40.9 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -76.6 | -0.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C928 D932 L936 | A923-C928 HydrophobicContact CB-CB 4.22Å; A923-D932 HydrophobicContact CB-CB 3.58Å; A923-L936 HydrophobicContact CB-CD2 4.2Å |
| 924 | S | 93.2 | Very high | 95.5 | Very high | 35 Ų | 35 | 37.6 Ų | 37.6 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | trans | -158.6 | 156.8 | -177.9 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | L922 S926 K927 T992 | L922-S924 PolarHBondContact O-N 3.34Å; S924-S926 PolarHBondContact OG-N 3.17Å; S924-S926 PolarHBondContact OG-OG 2.81Å; S924-K927 WeakPolarHBondContact CB-O 3.47Å; S924-K927 PolarHBondContact OG-N 3.48Å; S924-K927 PolarHBondContact OG-O 3.18Å; S924-T992 WeakPolarHBondContact O-CG2 3.48Å; S924-T992 PolarHBondContact O-OG1 3.13Å | ||
| 925 | T | 89.7 | Confident | 95.5 | Very high | 110 Ų | 110 | 41.1 Ų | 41.1 | 68% | 0.675 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -83.9 | -27 | 171.2 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | T992 | T925-T992 VanDerWaalsContact C-OG1 3.3Å; T925-T992 PolarHBondContact O-OG1 2.98Å |
| 926 | S | 92.2 | Very high | 95.6 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -106.1 | -62.6 | -172 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | S924 T992 S993 | S924-S926 PolarHBondContact OG-N 3.17Å; S924-S926 PolarHBondContact OG-OG 2.81Å; S926-T992 WeakPolarHBondContact O-CA 3.48Å; S926-S993 PolarHBondContact O-N 3.28Å |
| 927 | K | 96.3 | Very high | 95.6 | Very high | 162 Ų | 162 | 43.5 Ų | 43.5 | 70% | 0.704 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 140.4 | 177.7 | -58.6 | -165.9 | 175.7 | -178.1 | 0 | 111.8 | S924 S993 | S924-K927 WeakPolarHBondContact CB-O 3.47Å; S924-K927 PolarHBondContact OG-N 3.48Å; S924-K927 PolarHBondContact OG-O 3.18Å; K927-S993 WeakPolarHBondContact CA-O 3.39Å |
| 928 | C | 97.5 | Very high | 95.6 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 11% | 0.108 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 170.5 | 170.7 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | A923 D932 S993 V994 D995 | A923-C928 HydrophobicContact CB-CB 4.22Å; C928-D932 HydrophobicContact CB-CB 4.33Å; C928-S993 PolarHBondContact N-O 3.42Å; C928-V994 CarbonylContact O-C 3.49Å; C928-V994 WeakPolarHBondContact O-CA 3.24Å; C928-D995 PolarHBondContact O-N 3Å |
| 929 | S | 97.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 157 | 170.1 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | Q931 D932 C933 D995 | S929-Q931 PolarHBondContact O-N 3.44Å; S929-Q931 WeakPolarHBondContact OG-CB 3.38Å; S929-D932 WeakPolarHBondContact CB-OD2 3.28Å; S929-D932 PolarHBondContact N-OD2 3.35Å; S929-D932 WeakPolarHBondContact O-CB 3.44Å; S929-D932 PolarHBondContact O-N 3.22Å; S929-D932 PolarHBondContact OG-N 3.17Å; S929-D932 VanDerWaalsContact OG-N 3.14Å; S929-D932 PolarHBondContact OG-OD2 2.97Å; S929-C933 PolarHBondContact O-N 2.99Å; S929-D995 CarbonylContact C-O 3.56Å; S929-D995 WeakPolarHBondContact CA-O 3.37Å |
| 930 | L | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.7 | -35.1 | 168.6 | 176.5 | 60.1 | 0 | 0 | 0 | 111.2 | L920 D932 C933 L934 V975 L977 V994 D995 F996 L1001 L1070 Y1072 | L920-L930 HydrophobicContact CD1-CD1 3.62Å; L930-D932 VanDerWaalsContact C-N 3.29Å; L930-D932 PolarHBondContact O-N 3.15Å; L930-C933 PolarHBondContact O-N 3.5Å; L930-L934 HydrophobicContact CG-CD1 4.2Å; L930-L934 WeakPolarHBondContact O-CG 3.5Å; L930-L934 PolarHBondContact O-N 3.44Å; L930-V975 HydrophobicContact CD1-CG1 4Å; L930-L977 HydrophobicContact CD1-CD2 4.47Å; L930-V994 HydrophobicContact CB-CG1 4.4Å; L930-D995 PolarHBondContact N-O 3.01Å; L930-F996 HydrophobicContact CB-CB 4.13Å; L930-F996 HydrophobicContact CD2-CB 4.02Å; L930-L1001 HydrophobicContact CD2-CD1 4.23Å; L930-L1001 HydrophobicContact CD2-CD2 4.02Å; L930-L1070 HydrophobicContact CD2-CD1 4.31Å; L930-Y1072 HydrophobicContact CD2-CE2 4.2Å |
| 931 | Q | 96.4 | Very high | 95.3 | Very high | 51 Ų | 51 | 57.9 Ų | 57.9 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -30.3 | 175.2 | -71.7 | 83.4 | -11.5 | 0 | 0 | 113 | S929 R935 Y1006 | S929-Q931 PolarHBondContact O-N 3.44Å; S929-Q931 WeakPolarHBondContact OG-CB 3.38Å; Q931-R935 WeakPolarHBondContact O-CG 3.22Å; Q931-R935 PolarHBondContact O-N 3.28Å; Q931-R935 VanDerWaalsContact O-N 3.1Å; Q931-R935 PolarHBondContact O-NE 3.13Å; Q931-Y1006 VanDerWaalsContact CA-OH 3.22Å; Q931-Y1006 WeakPolarHBondContact CA-OH 3.49Å; Q931-Y1006 WeakPolarHBondContact CB-OH 3.31Å; Q931-Y1006 WeakPolarHBondContact CG-OH 3.45Å; Q931-Y1006 PolarHBondContact O-OH 3.36Å; Q931-Y1006 VanDerWaalsContact O-OH 3.12Å |
| 932 | D | 96.8 | Very high | 95.2 | Very high | 52 Ų | 52 | 63.6 Ų | 63.6 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -74.8 | -42 | 172.6 | -59.6 | -52.4 | 0 | 0 | 0 | 111.6 | A923 C928 S929 L930 L934 R935 L936 | A923-D932 HydrophobicContact CB-CB 3.58Å; C928-D932 HydrophobicContact CB-CB 4.33Å; S929-D932 WeakPolarHBondContact CB-OD2 3.28Å; S929-D932 PolarHBondContact N-OD2 3.35Å; S929-D932 WeakPolarHBondContact O-CB 3.44Å; S929-D932 PolarHBondContact O-N 3.22Å; S929-D932 PolarHBondContact OG-N 3.17Å; S929-D932 VanDerWaalsContact OG-N 3.14Å; S929-D932 PolarHBondContact OG-OD2 2.97Å; L930-D932 VanDerWaalsContact C-N 3.29Å; L930-D932 PolarHBondContact O-N 3.15Å; D932-L934 VanDerWaalsContact C-N 3.29Å; D932-L934 PolarHBondContact O-N 3.12Å; D932-R935 WeakPolarHBondContact O-CB 3.46Å; D932-R935 PolarHBondContact O-N 2.95Å; D932-R935 IonicContact OD1-CZ 2.62Å; D932-R935 IonicContact OD1-NE 2.75Å; D932-R935 PolarHBondContact OD1-NE 2.97Å; D932-R935 IonicContact OD1-NH2 3.65Å; D932-R935 PolarHBondContact OD1-NH2 3.19Å; D932-L936 WeakPolarHBondContact O-CB 3.19Å; D932-L936 PolarHBondContact O-N 3.11Å |
| 933 | C | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 176 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | L920 P921 S929 L930 L936 F937 | L920-C933 HydrophobicContact CB-CB 4.13Å; L920-C933 HydrophobicContact CD1-CB 4.03Å; P921-C933 WeakPolarHBondContact O-CB 3.09Å; S929-C933 PolarHBondContact O-N 2.99Å; L930-C933 PolarHBondContact O-N 3.5Å; C933-L936 PolarHBondContact O-N 3.16Å; C933-F937 WeakPolarHBondContact O-CB 3.34Å; C933-F937 PolarHBondContact O-N 3.34Å |
| 934 | L | 96.4 | Very high | 95 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 171.5 | -73.6 | 165.4 | 0 | 0 | 0 | 112.5 | L918 L920 L930 D932 L936 F937 S938 I966 L1003 Y1006 | L918-L934 HydrophobicContact CD1-CD2 4.16Å; L920-L934 HydrophobicContact CD1-CD2 3.89Å; L920-L934 HydrophobicContact CD1-CG 3.93Å; L920-L934 HydrophobicContact CD2-CD2 3.96Å; L930-L934 HydrophobicContact CG-CD1 4.2Å; L930-L934 WeakPolarHBondContact O-CG 3.5Å; L930-L934 PolarHBondContact O-N 3.44Å; D932-L934 VanDerWaalsContact C-N 3.29Å; D932-L934 PolarHBondContact O-N 3.12Å; L934-L936 VanDerWaalsContact C-N 3.33Å; L934-L936 PolarHBondContact O-N 3.34Å; L934-F937 PolarHBondContact O-N 3.09Å; L934-S938 PolarHBondContact O-N 3.44Å; L934-I966 HydrophobicContact CD2-CD1 4.38Å; L934-L1003 HydrophobicContact CD1-CD2 3.79Å; L934-Y1006 HydrophobicContact CB-CD1 3.92Å; L934-Y1006 HydrophobicContact CB-CD2 4.36Å; L934-Y1006 HydrophobicContact CB-CE1 3.71Å; L934-Y1006 HydrophobicContact CB-CE2 4.19Å; L934-Y1006 HydrophobicContact CB-CG 4.24Å; L934-Y1006 HydrophobicContact CD1-CD2 3.88Å; L934-Y1006 HydrophobicContact CD1-CE2 3.68Å; L934-Y1006 HydrophobicContact CD1-CG 4.49Å |
| 935 | R | 95.5 | Very high | 94.7 | Very high | 123 Ų | 123 | 67.5 Ų | 67.5 | 46% | 0.464 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 172.7 | -80.4 | -176.6 | -79 | -92.6 | 3.3 | 112.2 | Q931 D932 K939 Y1006 | Q931-R935 WeakPolarHBondContact O-CG 3.22Å; Q931-R935 PolarHBondContact O-N 3.28Å; Q931-R935 VanDerWaalsContact O-N 3.1Å; Q931-R935 PolarHBondContact O-NE 3.13Å; D932-R935 WeakPolarHBondContact O-CB 3.46Å; D932-R935 PolarHBondContact O-N 2.95Å; D932-R935 IonicContact OD1-CZ 2.62Å; D932-R935 IonicContact OD1-NE 2.75Å; D932-R935 PolarHBondContact OD1-NE 2.97Å; D932-R935 IonicContact OD1-NH2 3.65Å; D932-R935 PolarHBondContact OD1-NH2 3.19Å; R935-K939 PolarHBondContact O-N 3Å; R935-Y1006 HydrophobicContact CG-CE1 4.04Å |
| 936 | L | 95.9 | Very high | 94.6 | Very high | 61 Ų | 61 | 69.2 Ų | 69.2 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.2 | -37.9 | 179.2 | -176.9 | 59.1 | 0 | 0 | 0 | 112.1 | P921 A923 D932 C933 L934 S938 K939 | P921-L936 HydrophobicContact CB-CD2 3.99Å; P921-L936 HydrophobicContact CB-CG 4.38Å; P921-L936 HydrophobicContact CG-CB 4.22Å; P921-L936 HydrophobicContact CG-CD2 3.87Å; P921-L936 HydrophobicContact CG-CG 3.75Å; A923-L936 HydrophobicContact CB-CD2 4.2Å; D932-L936 WeakPolarHBondContact O-CB 3.19Å; D932-L936 PolarHBondContact O-N 3.11Å; C933-L936 PolarHBondContact O-N 3.16Å; L934-L936 VanDerWaalsContact C-N 3.33Å; L934-L936 PolarHBondContact O-N 3.34Å; L936-S938 VanDerWaalsContact C-N 3.3Å; L936-S938 PolarHBondContact O-N 3.42Å; L936-K939 HydrophobicContact CD1-CB 4.42Å; L936-K939 HydrophobicContact CD1-CD 3.99Å; L936-K939 VanDerWaalsContact O-CB 3.24Å; L936-K939 WeakPolarHBondContact O-CB 3.33Å; L936-K939 PolarHBondContact O-N 3.49Å; L936-K939 VanDerWaalsContact O-N 3.15Å |
| 937 | F | 95.4 | Very high | 94.4 | Very high | 27 Ų | 27 | 70.8 Ų | 70.8 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.4 | -38.8 | 175.9 | 177.4 | -93.4 | 0 | 0 | 0 | 113.1 | F896 L920 C933 L934 L964 | F896-F937 HydrophobicContact CD1-CE1 4.22Å; F896-F937 HydrophobicContact CD1-CZ 4.37Å; F896-F937 AromaticContact CE1-CE1 3.59Å; F896-F937 HydrophobicContact CE1-CE1 3.59Å; F896-F937 AromaticContact CE1-CZ 3.57Å; F896-F937 HydrophobicContact CE1-CZ 3.57Å; F896-F937 HydrophobicContact CE2-CZ 4.23Å; F896-F937 HydrophobicContact CZ-CE1 4.03Å; F896-F937 AromaticContact CZ-CZ 3.5Å; F896-F937 HydrophobicContact CZ-CZ 3.5Å; F896-F937 VanDerWaalsContact CZ-CZ 3.5Å; L920-F937 HydrophobicContact CD2-CB 3.69Å; L920-F937 HydrophobicContact CD2-CD1 4.42Å; L920-F937 HydrophobicContact CD2-CD2 3.84Å; L920-F937 HydrophobicContact CD2-CG 3.72Å; C933-F937 WeakPolarHBondContact O-CB 3.34Å; C933-F937 PolarHBondContact O-N 3.34Å; L934-F937 PolarHBondContact O-N 3.09Å; F937-L964 HydrophobicContact CE1-CB 4.12Å; F937-L964 HydrophobicContact CZ-CB 4.2Å; F937-L964 HydrophobicContact CZ-CD1 4.37Å |
| 938 | S | 94.6 | Very high | 94.1 | Very high | 26 Ų | 26 | 66.6 Ų | 66.6 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 16.2 | 177 | -66.8 | 0 | 0 | 0 | 0 | 114.8 | L934 L936 K963 L964 | L934-S938 PolarHBondContact O-N 3.44Å; L936-S938 VanDerWaalsContact C-N 3.3Å; L936-S938 PolarHBondContact O-N 3.42Å; S938-K963 WeakPolarHBondContact O-CE 3.5Å; S938-L964 VanDerWaalsContact CA-O 3.24Å; S938-L964 WeakPolarHBondContact CA-O 3.44Å; S938-L964 VanDerWaalsContact CB-O 3.25Å; S938-L964 WeakPolarHBondContact CB-O 3.34Å; S938-L964 PolarHBondContact OG-O 3.19Å |
| 939 | K | 95.1 | Very high | 93.8 | Very high | 142 Ų | 142 | 68 Ų | 68 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -73.9 | 148.1 | 168.1 | -167.6 | 177.5 | 178.6 | -177.4 | 0 | 109.9 | R935 L936 | R935-K939 PolarHBondContact O-N 3Å; L936-K939 HydrophobicContact CD1-CB 4.42Å; L936-K939 HydrophobicContact CD1-CD 3.99Å; L936-K939 VanDerWaalsContact O-CB 3.24Å; L936-K939 WeakPolarHBondContact O-CB 3.33Å; L936-K939 PolarHBondContact O-N 3.49Å; L936-K939 VanDerWaalsContact O-N 3.15Å |
| 940 | E | 94.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 72 Ų | 72 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 123.6 | 173.5 | -173.1 | 171.4 | 177.3 | 0 | 0 | 110.4 | T961 K962 K963 | E940-T961 HydrophobicContact CG-CG2 4.01Å; E940-T961 WeakPolarHBondContact OE1-CB 3.38Å; E940-T961 WeakPolarHBondContact OE1-CG2 3.49Å; E940-T961 PolarHBondContact OE1-OG1 2.94Å; E940-K962 CarbonylContact C-O 3.55Å; E940-K962 WeakPolarHBondContact CA-O 3.22Å; E940-K963 HydrophobicContact CB-CB 4.45Å; E940-K963 HydrophobicContact CB-CG 4.47Å |
| 941 | E | 94 | Very high | 93.4 | Very high | 95 Ų | 95 | 72.8 Ų | 72.8 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 151.2 | 177.5 | 66.9 | -177.1 | 169.5 | 0 | 0 | 111.1 | L943 T961 K962 | E941-L943 HydrophobicContact CG-CD2 4.12Å; E941-T961 CarbonylContact O-C 3.58Å; E941-T961 WeakPolarHBondContact O-CA 3.36Å; E941-T961 WeakPolarHBondContact O-CB 3.39Å; E941-K962 HydrophobicContact CG-CB 3.98Å; E941-K962 PolarHBondContact N-O 3.36Å; E941-K962 PolarHBondContact O-N 3.2Å |
| 942 | K | 94.4 | Very high | 93.1 | Very high | 158 Ų | 158 | 77.8 Ų | 77.8 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.7 | 172.1 | -76.6 | -176.5 | 176.9 | -176.7 | 0 | 109.6 | T961 | K942-T961 HydrophobicContact CG-CG2 3.75Å |
| 943 | L | 93.1 | Very high | 92.9 | Very high | 23 Ų | 23 | 80.3 Ų | 80.3 | 12% | 0.12 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 100.8 | 174.1 | -57.1 | -177.9 | 0 | 0 | 0 | 108.8 | E941 N947 V949 D959 S960 K962 | E941-L943 HydrophobicContact CG-CD2 4.12Å; L943-N947 HydrophobicContact CB-CB 4.18Å; L943-N947 WeakPolarHBondContact CB-O 3.4Å; L943-N947 HydrophobicContact CD2-CB 4.27Å; L943-V949 HydrophobicContact CD1-CG2 3.6Å; L943-D959 WeakPolarHBondContact O-CA 3.42Å; L943-S960 WeakPolarHBondContact CA-O 3.22Å; L943-S960 WeakPolarHBondContact CB-O 3.21Å; L943-S960 PolarHBondContact N-O 3.18Å; L943-S960 PolarHBondContact O-N 3.08Å; L943-S960 VanDerWaalsContact O-N 3.1Å; L943-K962 HydrophobicContact CD1-CB 3.68Å; L943-K962 HydrophobicContact CD1-CD 4.11Å; L943-K962 HydrophobicContact CD1-CG 4.49Å; L943-K962 HydrophobicContact CG-CB 4.1Å |
| 944 | T | 90.1 | Very high | 92.7 | Very high | 54 Ų | 54 | 82 Ų | 82 | 33% | 0.331 | 39% | 0.393 | S | S | . | . | trans | -112.5 | 177.2 | 178 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | N946 N947 D959 | T944-N946 PolarHBondContact O-N 3.23Å; T944-N946 VanDerWaalsContact O-N 3.16Å; T944-N947 WeakPolarHBondContact O-CA 3.4Å; T944-N947 WeakPolarHBondContact O-CB 3.38Å; T944-N947 PolarHBondContact O-N 3.48Å; T944-D959 VanDerWaalsContact CA-OD1 3.31Å; T944-D959 WeakPolarHBondContact CA-OD1 3.5Å; T944-D959 HydrophobicContact CG2-CB 4.49Å | ||
| 945 | D | 88.4 | Confident | 92.6 | Very high | 109 Ų | 109 | 90 Ų | 90 | 58% | 0.583 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | 55.6 | -114.3 | 166.3 | -48.6 | -55.1 | 0 | 0 | 0 | 113.6 | N947 K948 | D945-N947 VanDerWaalsContact C-N 3.25Å; D945-N947 PolarHBondContact O-N 2.95Å; D945-K948 VanDerWaalsContact O-CD 3.31Å; D945-K948 WeakPolarHBondContact O-CD 3.44Å; D945-K948 VanDerWaalsContact O-CG 3.32Å; D945-K948 WeakPolarHBondContact O-CG 3.42Å |
| 946 | N | 86.5 | Confident | 92.5 | Very high | 146 Ų | 146 | 85.2 Ų | 85.2 | 78% | 0.781 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -72.8 | -16.7 | 179.4 | -65.2 | -9.9 | 0 | 0 | 0 | 113.2 | T944 | T944-N946 PolarHBondContact O-N 3.23Å; T944-N946 VanDerWaalsContact O-N 3.16Å |
| 947 | N | 88.8 | Confident | 92.5 | Very high | 112 Ų | 112 | 87.9 Ų | 87.9 | 60% | 0.599 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -97.8 | 6.3 | -175.2 | -62.1 | -29.9 | 0 | 0 | 0 | 113.4 | L943 T944 D945 V949 | L943-N947 HydrophobicContact CB-CB 4.18Å; L943-N947 WeakPolarHBondContact CB-O 3.4Å; L943-N947 HydrophobicContact CD2-CB 4.27Å; T944-N947 WeakPolarHBondContact O-CA 3.4Å; T944-N947 WeakPolarHBondContact O-CB 3.38Å; T944-N947 PolarHBondContact O-N 3.48Å; D945-N947 VanDerWaalsContact C-N 3.25Å; D945-N947 PolarHBondContact O-N 2.95Å; N947-V949 PolarHBondContact O-N 3.03Å |
| 948 | K | 90.1 | Very high | 92.5 | Very high | 73 Ų | 73 | 90.8 Ų | 90.8 | 32% | 0.317 | 44% | 0.435 | S | S | . | . | trans | -55.5 | 125.6 | -178.4 | -74.7 | 169.5 | 179 | 140.5 | 0 | 111.9 | D945 H957 D959 | D945-K948 VanDerWaalsContact O-CD 3.31Å; D945-K948 WeakPolarHBondContact O-CD 3.44Å; D945-K948 VanDerWaalsContact O-CG 3.32Å; D945-K948 WeakPolarHBondContact O-CG 3.42Å; K948-H957 HydrophobicContact CB-CB 4.09Å; K948-H957 PolarHBondContact O-CD2 3.16Å; K948-D959 VanDerWaalsContact CE-CG 3.45Å; K948-D959 WeakPolarHBondContact CE-OD1 3.41Å; K948-D959 WeakPolarHBondContact CE-OD2 3.33Å; K948-D959 IonicContact NZ-OD1 3.19Å | ||
| 949 | V | 91.6 | Very high | 92.6 | Very high | 47 Ų | 47 | 92 Ų | 92 | 29% | 0.285 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 142.7 | -177.1 | -173 | 0 | 0 | 0 | 0 | 111.1 | V900 L943 N947 C951 H957 R958 | V900-V949 HydrophobicContact CG1-CB 4.3Å; V900-V949 HydrophobicContact CG1-CG1 4.21Å; V900-V949 HydrophobicContact CG1-CG2 4.22Å; L943-V949 HydrophobicContact CD1-CG2 3.6Å; N947-V949 PolarHBondContact O-N 3.03Å; V949-C951 PolarHBondContact O-N 2.86Å; V949-H957 WeakPolarHBondContact O-CA 3.32Å; V949-R958 PolarHBondContact N-O 3.23Å; V949-R958 VanDerWaalsContact N-O 3.15Å; V949-R958 PolarHBondContact O-N 3.01Å |
| 950 | F | 93.3 | Very high | 92.7 | Very high | 107 Ų | 107 | 85.3 Ų | 85.3 | 47% | 0.469 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 108.2 | 173.3 | -174.7 | -94.2 | 0 | 0 | 0 | 111.1 | R952 K955 | F950-R952 PolarHBondContact O-N 2.8Å; F950-K955 VanDerWaalsContact CE2-C 3.46Å |
| 951 | C | 93 | Very high | 92.8 | Very high | 16 Ų | 16 | 81 Ų | 81 | 11% | 0.108 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 110.3 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | C902 C905 V949 H953 C954 K955 A956 R958 | C902-C951 HydrophobicContact CB-CB 4.07Å; C905-C951 VanDerWaalsContact SG-SG 3.62Å; V949-C951 PolarHBondContact O-N 2.86Å; C951-H953 PolarHBondContact O-N 3.38Å; C951-C954 HydrophobicContact CB-CB 4.02Å; C951-C954 PolarHBondContact O-N 3.45Å; C951-C954 VanDerWaalsContact O-N 3.1Å; C951-K955 PolarHBondContact O-N 2.7Å; C951-A956 PolarHBondContact N-O 2.97Å; C951-R958 HydrophobicContact CB-CB 4.49Å; C951-R958 HydrophobicContact CB-CG 4.33Å |
| 952 | R | 90.3 | Very high | 92.9 | Very high | 156 Ų | 156 | 78.9 Ų | 78.9 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -36 | 177.3 | -66.2 | -176.7 | -179.7 | -173.4 | -1.2 | 113 | E861 E863 F950 K955 | E861-R952 IonicContact OE2-NH2 2.65Å; E863-R952 IonicContact OE1-CZ 3.38Å; E863-R952 IonicContact OE1-NH1 3.51Å; E863-R952 PolarHBondContact OE1-NH1 2.79Å; F950-R952 PolarHBondContact O-N 2.8Å; R952-K955 WeakPolarHBondContact O-CG 3.5Å |
| 953 | H | 91.6 | Very high | 92.9 | Very high | 106 Ų | 106 | 74.5 Ų | 74.5 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -42.4 | 179.8 | -168.6 | -104.5 | 0 | 0 | 0 | 113.8 | R907 C951 K955 | R907-H953 VanDerWaalsContact CZ-CD2 3.48Å; R907-H953 PolarHBondContact NE-CD2 3.31Å; R907-H953 VanDerWaalsContact NE-CD2 3.28Å; R907-H953 PolarHBondContact NH2-CD2 2.98Å; R907-H953 PolarHBondContact NH2-NE2 2.93Å; R907-H953 VanDerWaalsContact NH2-NE2 3.16Å; C951-H953 PolarHBondContact O-N 3.38Å; H953-K955 VanDerWaalsContact C-N 3.27Å |
| 954 | C | 93 | Very high | 93.1 | Very high | 36 Ų | 36 | 74.8 Ų | 74.8 | 24% | 0.243 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -10.9 | 174.8 | -64.9 | 0 | 0 | 0 | 0 | 113.3 | C951 A956 R958 | C951-C954 HydrophobicContact CB-CB 4.02Å; C951-C954 PolarHBondContact O-N 3.45Å; C951-C954 VanDerWaalsContact O-N 3.1Å; C954-A956 PolarHBondContact O-N 2.89Å; C954-R958 HydrophobicContact CB-CG 4.09Å |
| 955 | K | 94.3 | Very high | 93.4 | Very high | 172 Ų | 172 | 73.7 Ų | 73.7 | 75% | 0.748 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 33.2 | -174 | -59.2 | -177.6 | -179.5 | 179.4 | 0 | 113.5 | F950 C951 R952 H953 | F950-K955 VanDerWaalsContact CE2-C 3.46Å; C951-K955 PolarHBondContact O-N 2.7Å; R952-K955 WeakPolarHBondContact O-CG 3.5Å; H953-K955 VanDerWaalsContact C-N 3.27Å |
| 956 | A | 95 | Very high | 93.8 | Very high | 23 Ų | 23 | 68.5 Ų | 68.5 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 160.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C951 C954 R958 | C951-A956 PolarHBondContact N-O 2.97Å; C954-A956 PolarHBondContact O-N 2.89Å; A956-R958 VanDerWaalsContact CB-NH1 3.35Å |
| 957 | H | 95.3 | Very high | 94.3 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 132.8 | 168.9 | -63.9 | 105.1 | 0 | 0 | 0 | 110.8 | K948 V949 | K948-H957 HydrophobicContact CB-CB 4.09Å; K948-H957 PolarHBondContact O-CD2 3.16Å; V949-H957 WeakPolarHBondContact O-CA 3.32Å |
| 958 | R | 95.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 147.1 | -177.6 | -67.1 | -61.3 | -179.9 | -110.1 | 9 | 111.5 | T904 V949 C951 C954 A956 S960 | T904-R958 WeakPolarHBondContact OG1-CD 3.49Å; V949-R958 PolarHBondContact N-O 3.23Å; V949-R958 VanDerWaalsContact N-O 3.15Å; V949-R958 PolarHBondContact O-N 3.01Å; C951-R958 HydrophobicContact CB-CB 4.49Å; C951-R958 HydrophobicContact CB-CG 4.33Å; C954-R958 HydrophobicContact CB-CG 4.09Å; A956-R958 VanDerWaalsContact CB-NH1 3.35Å; R958-S960 PolarHBondContact O-N 3.38Å; R958-S960 PolarHBondContact O-OG 3.39Å |
| 959 | D | 96.5 | Very high | 94.8 | Very high | 52 Ų | 52 | 58 Ų | 58 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | trans | -54.9 | 128.7 | 166.2 | -54.3 | -74.3 | 0 | 0 | 0 | 108.5 | L903 L943 T944 K948 | L903-D959 VanDerWaalsContact CB-O 3.28Å; L903-D959 WeakPolarHBondContact CB-O 3.33Å; L903-D959 HydrophobicContact CD1-CB 4.22Å; L903-D959 PolarHBondContact N-O 3.18Å; L943-D959 WeakPolarHBondContact O-CA 3.42Å; T944-D959 VanDerWaalsContact CA-OD1 3.31Å; T944-D959 WeakPolarHBondContact CA-OD1 3.5Å; T944-D959 HydrophobicContact CG2-CB 4.49Å; K948-D959 VanDerWaalsContact CE-CG 3.45Å; K948-D959 WeakPolarHBondContact CE-OD1 3.41Å; K948-D959 WeakPolarHBondContact CE-OD2 3.33Å; K948-D959 IonicContact NZ-OD1 3.19Å | ||
| 960 | S | 96.7 | Very high | 95 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 149.7 | -170.7 | -60.6 | 0 | 0 | 0 | 0 | 109.3 | Q901 L943 R958 | Q901-S960 CarbonylContact O-C 3.57Å; Q901-S960 WeakPolarHBondContact O-CA 3.47Å; Q901-S960 WeakPolarHBondContact O-CB 3.48Å; L943-S960 WeakPolarHBondContact CA-O 3.22Å; L943-S960 WeakPolarHBondContact CB-O 3.21Å; L943-S960 PolarHBondContact N-O 3.18Å; L943-S960 PolarHBondContact O-N 3.08Å; L943-S960 VanDerWaalsContact O-N 3.1Å; R958-S960 PolarHBondContact O-N 3.38Å; R958-S960 PolarHBondContact O-OG 3.39Å |
| 961 | T | 96.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 147.6 | 161.4 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | V900 Q901 L903 E940 E941 K942 | V900-T961 CarbonylContact C-O 3.44Å; V900-T961 VanDerWaalsContact CA-O 3.27Å; V900-T961 WeakPolarHBondContact CA-O 3.3Å; Q901-T961 PolarHBondContact N-O 2.95Å; Q901-T961 PolarHBondContact O-N 3.32Å; L903-T961 HydrophobicContact CD2-CG2 4.19Å; E940-T961 HydrophobicContact CG-CG2 4.01Å; E940-T961 WeakPolarHBondContact OE1-CB 3.38Å; E940-T961 WeakPolarHBondContact OE1-CG2 3.49Å; E940-T961 PolarHBondContact OE1-OG1 2.94Å; E941-T961 CarbonylContact O-C 3.58Å; E941-T961 WeakPolarHBondContact O-CA 3.36Å; E941-T961 WeakPolarHBondContact O-CB 3.39Å; K942-T961 HydrophobicContact CG-CG2 3.75Å |
| 962 | K | 95.6 | Very high | 95.4 | Very high | 51 Ų | 51 | 52 Ų | 52 | 22% | 0.222 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.6 | 171.2 | -178 | 175.9 | -178.4 | -177.3 | 0 | 109.2 | S898 T899 V900 E940 E941 L943 | S898-K962 VanDerWaalsContact OG-CE 3.27Å; S898-K962 WeakPolarHBondContact OG-CE 3.21Å; T899-K962 CarbonylContact O-C 2.85Å; T899-K962 WeakPolarHBondContact O-CA 3.48Å; V900-K962 HydrophobicContact CG2-CB 4.41Å; V900-K962 HydrophobicContact CG2-CG 4.19Å; E940-K962 CarbonylContact C-O 3.55Å; E940-K962 WeakPolarHBondContact CA-O 3.22Å; E941-K962 HydrophobicContact CG-CB 3.98Å; E941-K962 PolarHBondContact N-O 3.36Å; E941-K962 PolarHBondContact O-N 3.2Å; L943-K962 HydrophobicContact CD1-CB 3.68Å; L943-K962 HydrophobicContact CD1-CD 4.11Å; L943-K962 HydrophobicContact CD1-CG 4.49Å; L943-K962 HydrophobicContact CG-CB 4.1Å |
| 963 | K | 95.9 | Very high | 95.7 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 29% | 0.291 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130.6 | 170.8 | -165.2 | -171.2 | -176.4 | -165.7 | 0 | 109.4 | T899 S938 E940 E965 | T899-K963 PolarHBondContact N-O 2.98Å; T899-K963 PolarHBondContact O-N 3.46Å; S938-K963 WeakPolarHBondContact O-CE 3.5Å; E940-K963 HydrophobicContact CB-CB 4.45Å; E940-K963 HydrophobicContact CB-CG 4.47Å; K963-E965 HydrophobicContact CD-CG 3.94Å; K963-E965 VanDerWaalsContact CE-OE1 3.29Å; K963-E965 WeakPolarHBondContact CE-OE1 3.46Å; K963-E965 HydrophobicContact CG-CG 4.09Å; K963-E965 IonicContact NZ-OE1 3.99Å; K963-E965 PolarHBondContact NZ-OE1 3.14Å |
| 964 | L | 96.4 | Very high | 96 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.7 | 176.5 | -82.4 | 163.2 | 0 | 0 | 0 | 109.9 | F896 S898 E913 F937 S938 | F896-L964 HydrophobicContact CB-CD2 4.12Å; F896-L964 HydrophobicContact CD2-CD2 4.17Å; F896-L964 HydrophobicContact CG-CD2 4.18Å; S898-L964 WeakPolarHBondContact OG-CD2 3.38Å; E913-L964 VanDerWaalsContact OE1-CD2 3.3Å; E913-L964 WeakPolarHBondContact OE1-CD2 3.35Å; F937-L964 HydrophobicContact CE1-CB 4.12Å; F937-L964 HydrophobicContact CZ-CB 4.2Å; F937-L964 HydrophobicContact CZ-CD1 4.37Å; S938-L964 VanDerWaalsContact CA-O 3.24Å; S938-L964 WeakPolarHBondContact CA-O 3.44Å; S938-L964 VanDerWaalsContact CB-O 3.25Å; S938-L964 WeakPolarHBondContact CB-O 3.34Å; S938-L964 PolarHBondContact OG-O 3.19Å |
| 965 | E | 96.4 | Very high | 96.3 | Very high | 31 Ų | 31 | 38 Ų | 38 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.1 | -178.4 | -57.1 | -179.4 | 116.1 | 0 | 0 | 109.9 | F896 K897 K963 W967 I1008 | F896-E965 CarbonylContact C-O 3.5Å; F896-E965 VanDerWaalsContact CA-O 3.31Å; F896-E965 WeakPolarHBondContact CA-O 3.47Å; K897-E965 HydrophobicContact CB-CB 4.43Å; K897-E965 PolarHBondContact N-O 3.32Å; K897-E965 PolarHBondContact O-N 3Å; K963-E965 HydrophobicContact CD-CG 3.94Å; K963-E965 VanDerWaalsContact CE-OE1 3.29Å; K963-E965 WeakPolarHBondContact CE-OE1 3.46Å; K963-E965 HydrophobicContact CG-CG 4.09Å; K963-E965 IonicContact NZ-OE1 3.99Å; K963-E965 PolarHBondContact NZ-OE1 3.14Å; E965-W967 PolarHBondContact O-N 2.7Å; E965-I1008 HydrophobicContact CB-CD1 3.55Å; E965-I1008 HydrophobicContact CB-CG1 4.02Å; E965-I1008 HydrophobicContact CB-CG2 4.46Å; E965-I1008 HydrophobicContact CG-CD1 4.38Å |
| 966 | I | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 108.4 | -179 | -53.4 | 179.1 | 0 | 0 | 0 | 108.5 | F896 F915 L918 L934 V969 V1007 I1008 | F896-I966 HydrophobicContact CD1-CG1 4.39Å; F896-I966 HydrophobicContact CE1-CG1 4.23Å; F915-I966 HydrophobicContact CE1-CG2 4.37Å; F915-I966 HydrophobicContact CZ-CG2 4.34Å; L918-I966 HydrophobicContact CD1-CD1 4.1Å; L918-I966 HydrophobicContact CD2-CD1 4.29Å; L934-I966 HydrophobicContact CD2-CD1 4.38Å; I966-V969 HydrophobicContact CG2-CG1 3.64Å; I966-V1007 HydrophobicContact CG2-CG2 4.17Å; I966-V1007 CarbonylContact O-C 3.55Å; I966-V1007 VanDerWaalsContact O-CA 3.3Å; I966-V1007 WeakPolarHBondContact O-CA 3.46Å; I966-I1008 WeakPolarHBondContact O-CG1 3.48Å; I966-I1008 PolarHBondContact O-N 3.16Å |
| 967 | W | 96.5 | Very high | 96.6 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 8% | 0.08 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -44 | 177.3 | -177.6 | -98.5 | 0 | 0 | 0 | 111.6 | D869 Q870 A873 Q895 F912 E965 V1007 I1008 G1009 | D869-W967 HydrophobicContact CB-CH2 3.87Å; D869-W967 HydrophobicContact CB-CZ3 3.91Å; Q870-W967 HydrophobicContact CB-CZ2 4.49Å; A873-W967 HydrophobicContact CB-CD2 4.15Å; A873-W967 HydrophobicContact CB-CG 4.27Å; A873-W967 HydrophobicContact CB-CZ2 3.98Å; Q895-W967 HydrophobicContact CB-CB 4.47Å; Q895-W967 WeakPolarHBondContact O-CA 3.46Å; Q895-W967 WeakPolarHBondContact O-CB 3.43Å; Q895-W967 PolarHBondContact O-N 2.75Å; Q895-W967 VanDerWaalsContact OE1-CD1 3.31Å; F912-W967 HydrophobicContact CD1-CB 4.38Å; F912-W967 HydrophobicContact CD1-CD2 4.37Å; F912-W967 HydrophobicContact CD1-CG 4.16Å; F912-W967 HydrophobicContact CE1-CB 4.42Å; F912-W967 AromaticContact CE1-CD2 3.77Å; F912-W967 HydrophobicContact CE1-CD2 3.77Å; F912-W967 AromaticContact CE1-CE3 3.79Å; F912-W967 HydrophobicContact CE1-CE3 3.79Å; F912-W967 HydrophobicContact CE1-CG 4.02Å; F912-W967 HydrophobicContact CE1-CZ3 4.39Å; E965-W967 PolarHBondContact O-N 2.7Å; W967-V1007 WeakPolarHBondContact O-CG1 3.38Å; W967-I1008 HydrophobicContact CE3-CD1 3.83Å; W967-I1008 HydrophobicContact CE3-CG1 3.88Å; W967-I1008 HydrophobicContact CZ3-CD1 4.29Å; W967-I1008 HydrophobicContact CZ3-CG1 4.46Å; W967-G1009 WeakPolarHBondContact O-CA 3.48Å; W967-G1009 PolarHBondContact O-N 3.24Å |
| 968 | K | 94.9 | Very high | 96.6 | Very high | 75 Ų | 75 | 28.2 Ų | 28.2 | 33% | 0.326 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 138.5 | -178.1 | 178.4 | -168.5 | 169.1 | -162.4 | 0 | 110.1 | W877 G894 Q895 | W877-K968 HydrophobicContact CE3-CD 4.37Å; W877-K968 HydrophobicContact CZ3-CD 4.39Å; G894-K968 WeakPolarHBondContact CA-O 3.44Å; Q895-K968 HydrophobicContact CB-CB 3.94Å; Q895-K968 PolarHBondContact N-O 3.36Å; Q895-K968 PolarHBondContact O-N 3.48Å |
| 969 | V | 95.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 24 Ų | 24 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | trans | -102.5 | 147.2 | 172.3 | -72.2 | 0 | 0 | 0 | 0 | 112 | I966 V973 L1003 V1007 L1014 Y1017 | I966-V969 HydrophobicContact CG2-CG1 3.64Å; V969-V973 HydrophobicContact CB-CG2 4.29Å; V969-L1003 HydrophobicContact CG1-CD1 4.05Å; V969-V1007 HydrophobicContact CG1-CG2 3.83Å; V969-V1007 HydrophobicContact CG2-CG2 4.13Å; V969-L1014 HydrophobicContact CG2-CD2 3.44Å; V969-L1014 VanDerWaalsContact CG2-CD2 3.44Å; V969-Y1017 WeakPolarHBondContact CB-OH 3.33Å; V969-Y1017 HydrophobicContact CG2-CE2 4.41Å; V969-Y1017 WeakPolarHBondContact CG2-OH 3.32Å | ||
| 970 | P | 95.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | trans | -77.9 | 163 | 173.8 | 32.8 | -38.3 | 0 | 0 | 0 | 113.3 | F892 I972 V973 Y1017 | F892-P970 VanDerWaalsContact O-CB 3.29Å; F892-P970 WeakPolarHBondContact O-CB 3.39Å; F892-P970 VanDerWaalsContact O-CG 3.29Å; F892-P970 WeakPolarHBondContact O-CG 3.39Å; P970-I972 VanDerWaalsContact C-N 3.31Å; P970-I972 WeakPolarHBondContact CG-O 3.44Å; P970-I972 PolarHBondContact O-N 3Å; P970-V973 HydrophobicContact CG-CG2 3.71Å; P970-Y1017 WeakPolarHBondContact O-CE1 3.44Å; P970-Y1017 PolarHBondContact O-OH 3.24Å | ||
| 971 | P | 96.3 | Very high | 95.5 | Very high | 42 Ų | 42 | 25.5 Ų | 25.5 | 27% | 0.273 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -58.5 | -37.8 | 172 | -26 | 35 | 0 | 0 | 0 | 114.4 | L891 Y1017 T1074 L1075 | L891-P971 WeakPolarHBondContact O-CD 3.38Å; P971-Y1017 WeakPolarHBondContact O-CE1 3.45Å; P971-T1074 WeakPolarHBondContact CA-OG1 3.41Å; P971-T1074 PolarHBondContact O-N 2.58Å; P971-T1074 PolarHBondContact O-OG1 3.28Å; P971-L1075 HydrophobicContact CB-CD1 4.03Å; P971-L1075 HydrophobicContact CB-CD2 4.18Å; P971-L1075 HydrophobicContact CB-CG 4.03Å |
| 972 | I | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 112.5 | 172.3 | -55.9 | -59.9 | 0 | 0 | 0 | 108.6 | T764 L891 F892 P970 L974 Y1020 Y1072 S1073 L1075 | T764-I972 HydrophobicContact CG2-CD1 4.05Å; T764-I972 HydrophobicContact CG2-CG1 3.9Å; T764-I972 HydrophobicContact CG2-CG2 4.18Å; L891-I972 HydrophobicContact CB-CG1 4.29Å; L891-I972 WeakPolarHBondContact O-CB 3.3Å; L891-I972 PolarHBondContact O-N 3.09Å; F892-I972 HydrophobicContact CD1-CB 3.88Å; F892-I972 HydrophobicContact CD1-CG2 3.64Å; F892-I972 HydrophobicContact CE1-CB 4Å; F892-I972 HydrophobicContact CE1-CG2 3.44Å; F892-I972 VanDerWaalsContact CE1-CG2 3.44Å; F892-I972 HydrophobicContact CZ-CG2 4.39Å; P970-I972 VanDerWaalsContact C-N 3.31Å; P970-I972 WeakPolarHBondContact CG-O 3.44Å; P970-I972 PolarHBondContact O-N 3Å; I972-L974 HydrophobicContact CG2-CD2 4.42Å; I972-Y1020 HydrophobicContact CD1-CE1 4.33Å; I972-Y1020 HydrophobicContact CG2-CE1 4.07Å; I972-Y1020 VanDerWaalsContact CG2-OH 3.27Å; I972-Y1020 WeakPolarHBondContact CG2-OH 3.46Å; I972-Y1072 CarbonylContact C-O 3.51Å; I972-Y1072 VanDerWaalsContact CA-O 3.28Å; I972-Y1072 WeakPolarHBondContact CA-O 3.47Å; I972-S1073 WeakPolarHBondContact CD1-OG 3.39Å; I972-L1075 HydrophobicContact CD1-CD1 4.05Å; I972-L1075 HydrophobicContact CD1-CG 4.46Å; I972-L1075 HydrophobicContact CG1-CD1 4.37Å |
| 973 | V | 96.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126 | 176.6 | 166.8 | 0 | 0 | 0 | 0 | 109.9 | L918 V969 P970 V975 L1003 Y1017 Y1072 | L918-V973 HydrophobicContact CD1-CG1 4.21Å; V969-V973 HydrophobicContact CB-CG2 4.29Å; P970-V973 HydrophobicContact CG-CG2 3.71Å; V973-V975 HydrophobicContact CG1-CG2 3.66Å; V973-L1003 HydrophobicContact CG1-CD1 4.5Å; V973-L1003 HydrophobicContact CG2-CD1 4.21Å; V973-Y1017 HydrophobicContact CB-CD1 4.05Å; V973-Y1017 HydrophobicContact CB-CE1 3.81Å; V973-Y1017 HydrophobicContact CG2-CD1 4.04Å; V973-Y1017 HydrophobicContact CG2-CE1 3.32Å; V973-Y1017 HydrophobicContact CG2-CE2 4.49Å; V973-Y1072 PolarHBondContact N-O 3.07Å; V973-Y1072 WeakPolarHBondContact O-CB 3.46Å; V973-Y1072 PolarHBondContact O-N 3.11Å |
| 974 | L | 98.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 128.8 | 171 | -59 | 178.2 | 0 | 0 | 0 | 109.1 | L839 M843 F892 L918 I972 F1071 | L839-L974 HydrophobicContact CD1-CD1 4.44Å; L839-L974 HydrophobicContact CD2-CD1 4.39Å; M843-L974 HydrophobicContact CE-CD1 3.53Å; M843-L974 HydrophobicContact SD-CD1 3.3Å; M843-L974 WeakPolarHBondContact SD-CD1 3.28Å; F892-L974 HydrophobicContact CD1-CD1 3.71Å; F892-L974 HydrophobicContact CD1-CD2 4.33Å; F892-L974 HydrophobicContact CD1-CG 3.91Å; F892-L974 HydrophobicContact CE1-CD1 4.06Å; F892-L974 HydrophobicContact CE1-CD2 4.19Å; F892-L974 HydrophobicContact CE1-CG 4.26Å; L918-L974 PolarHBondContact N-O 3.07Å; I972-L974 HydrophobicContact CG2-CD2 4.42Å; L974-F1071 HydrophobicContact CD2-CB 4.31Å; L974-F1071 HydrophobicContact CD2-CD1 3.15Å; L974-F1071 HydrophobicContact CD2-CE1 3.43Å; L974-F1071 VanDerWaalsContact CD2-CE1 3.43Å; L974-F1071 HydrophobicContact CD2-CG 3.76Å; L974-F1071 HydrophobicContact CD2-CZ 4.24Å |
| 975 | V | 98.5 | Very high | 90.3 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 102.8 | 179.4 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | L920 L930 V973 I1069 L1070 Y1072 | L920-V975 HydrophobicContact CD1-CG1 3.4Å; L920-V975 HydrophobicContact CG-CG1 3.77Å; L930-V975 HydrophobicContact CD1-CG1 4Å; V973-V975 HydrophobicContact CG1-CG2 3.66Å; V975-I1069 CarbonylContact O-C 3.56Å; V975-I1069 WeakPolarHBondContact O-CA 3.29Å; V975-L1070 HydrophobicContact CB-CB 4.21Å; V975-L1070 PolarHBondContact N-O 3.03Å; V975-L1070 PolarHBondContact O-N 3.43Å; V975-Y1072 HydrophobicContact CG2-CD2 4.13Å; V975-Y1072 HydrophobicContact CG2-CE2 4.45Å |
| 976 | H | 98.4 | Very high | 88.8 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 132.2 | 166.4 | 163.1 | -128.6 | 0 | 0 | 0 | 109.9 | Q836 Y917 L918 S919 L920 Y1068 I1069 | Q836-H976 HydrophobicContact CG-CB 4.17Å; Q836-H976 PolarHBondContact OE1-ND1 3.28Å; Y917-H976 HydrophobicContact CD2-CB 4.09Å; Y917-H976 HydrophobicContact CE2-CB 4.31Å; L918-H976 PolarHBondContact O-N 2.68Å; S919-H976 PolarHBondContact OG-ND1 3.19Å; L920-H976 PolarHBondContact N-O 3.16Å; H976-Y1068 AromaticContact CD2-CE2 3.42Å; H976-Y1068 VanDerWaalsContact CD2-CE2 3.42Å; H976-Y1068 WeakPolarHBondContact CD2-CE2 3.49Å; H976-Y1068 AromaticContact CD2-CZ 3.48Å; H976-Y1068 VanDerWaalsContact CD2-CZ 3.48Å; H976-Y1068 PolarHBondContact CD2-OH 3.47Å; H976-Y1068 AromaticContact NE2-CE2 3.23Å; H976-Y1068 WeakPolarHBondContact NE2-CE2 3.4Å; H976-Y1068 AromaticContact NE2-CZ 3.3Å; H976-Y1068 VanDerWaalsContact NE2-CZ 3.3Å; H976-Y1068 PolarHBondContact NE2-OH 3Å; H976-I1069 HydrophobicContact CB-CG1 4.43Å |
| 977 | L | 98.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.9 | 171.4 | -63.2 | 174.8 | 0 | 0 | 0 | 108.7 | L922 L930 R979 V994 Y1068 | L922-L977 HydrophobicContact CD2-CB 4.22Å; L922-L977 HydrophobicContact CD2-CD2 4.27Å; L930-L977 HydrophobicContact CD1-CD2 4.47Å; L977-R979 VanDerWaalsContact C-N 3.27Å; L977-R979 HydrophobicContact CB-CG 4.5Å; L977-R979 PolarHBondContact O-N 3.43Å; L977-V994 HydrophobicContact CD1-CB 4.12Å; L977-V994 HydrophobicContact CD1-CG1 4.3Å; L977-V994 HydrophobicContact CD1-CG2 4.08Å; L977-V994 HydrophobicContact CD2-CG1 4.3Å; L977-Y1068 PolarHBondContact N-O 3.33Å; L977-Y1068 WeakPolarHBondContact O-CD2 3.39Å; L977-Y1068 VanDerWaalsContact O-CE2 3.26Å; L977-Y1068 WeakPolarHBondContact O-CE2 3.31Å |
| 978 | K | 95.8 | Very high | 87.1 | Confident | 96 Ų | 96 | 64.3 Ų | 64.3 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | trans | -65.9 | 80.5 | -179 | -71.2 | 175.8 | 169.3 | 167.2 | 0 | 111.7 | S919 L920 | S919-K978 WeakPolarHBondContact O-CE 3.46Å; S919-K978 PolarHBondContact O-NZ 3.08Å; S919-K978 WeakPolarHBondContact OG-CE 3.09Å; L920-K978 VanDerWaalsContact O-CB 3.31Å; L920-K978 WeakPolarHBondContact O-CB 3.35Å; L920-K978 WeakPolarHBondContact O-CG 2.85Å; L920-K978 PolarHBondContact O-N 2.87Å | ||
| 979 | R | 94.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -84.2 | -35.5 | 179.2 | -69.6 | -170.5 | 180 | -72.7 | -1.5 | 112.9 | L922 L977 K989 L990 T992 S1065 A1067 Y1068 | L922-R979 HydrophobicContact CD1-CG 4.18Å; L977-R979 VanDerWaalsContact C-N 3.27Å; L977-R979 HydrophobicContact CB-CG 4.5Å; L977-R979 PolarHBondContact O-N 3.43Å; R979-K989 HydrophobicContact CB-CG 4.2Å; R979-K989 CarbonylContact O-C 3.54Å; R979-K989 WeakPolarHBondContact O-CA 3.35Å; R979-L990 PolarHBondContact NH1-O 2.93Å; R979-L990 PolarHBondContact O-N 3.18Å; R979-T992 PolarHBondContact NH1-O 3.06Å; R979-T992 PolarHBondContact NH2-O 3.35Å; R979-T992 VanDerWaalsContact NH2-O 3.13Å; R979-S1065 PolarHBondContact NE-O 3.02Å; R979-S1065 PolarHBondContact NH1-O 3.48Å; R979-S1065 PolarHBondContact NH2-O 3.04Å; R979-A1067 VanDerWaalsContact CZ-O 3.28Å; R979-A1067 PolarHBondContact NE-O 3.16Å; R979-A1067 PolarHBondContact NH2-O 2.6Å; R979-Y1068 HydrophobicContact CB-CD2 4.16Å; R979-Y1068 HydrophobicContact CB-CE2 4.18Å; R979-Y1068 HydrophobicContact CG-CD2 4.05Å; R979-Y1068 HydrophobicContact CG-CE2 4.48Å | ||
| 980 | F | 90.3 | Very high | 86.6 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 20% | 0.202 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 135.5 | -179.8 | -57.2 | -64.1 | 0 | 0 | 0 | 111 | D834 Q988 K989 H1025 L1029 Y1068 | D834-F980 WeakPolarHBondContact OD2-CD2 3.46Å; F980-Q988 WeakPolarHBondContact CA-O 3.22Å; F980-K989 HydrophobicContact CD1-CB 4.04Å; F980-K989 HydrophobicContact CD1-CG 4.19Å; F980-K989 HydrophobicContact CE1-CB 4.19Å; F980-K989 HydrophobicContact CE1-CD 3.95Å; F980-K989 HydrophobicContact CE1-CG 4.09Å; F980-H1025 AromaticContact CE1-CE1 3.74Å; F980-H1025 AromaticContact CE1-ND1 3.76Å; F980-H1025 AromaticContact CZ-CE1 3.42Å; F980-H1025 VanDerWaalsContact CZ-CE1 3.42Å; F980-H1025 WeakPolarHBondContact CZ-CE1 3.47Å; F980-H1025 AromaticContact CZ-ND1 3.26Å; F980-H1025 VanDerWaalsContact CZ-ND1 3.26Å; F980-H1025 WeakPolarHBondContact CZ-ND1 3.38Å; F980-L1029 HydrophobicContact CD1-CB 4.16Å; F980-L1029 HydrophobicContact CE1-CB 3.71Å; F980-L1029 HydrophobicContact CE1-CD1 4.09Å; F980-L1029 HydrophobicContact CE1-CG 4.37Å; F980-L1029 HydrophobicContact CE2-CD1 4.01Å; F980-L1029 HydrophobicContact CZ-CB 4.18Å; F980-L1029 HydrophobicContact CZ-CD1 3.64Å; F980-L1029 HydrophobicContact CZ-CG 4.41Å; F980-Y1068 HydrophobicContact CD2-CE2 4.12Å; F980-Y1068 AromaticContact CD2-CZ 3.92Å; F980-Y1068 HydrophobicContact CE2-CE1 4.14Å; F980-Y1068 HydrophobicContact CE2-CE2 4.02Å; F980-Y1068 AromaticContact CE2-CZ 3.65Å |
| 981 | S | 80.2 | Confident | 86.4 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155 | 174.1 | 55.6 | 0 | 0 | 0 | 0 | 109.6 | Q988 | S981-Q988 PolarHBondContact N-O 3.29Å; S981-Q988 PolarHBondContact O-N 2.96Å |
| 982 | Y | 71.3 | Confident | 86.4 | Confident | 154 Ų | 154 | 65.9 Ų | 65.9 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 92 | -177.1 | -153.9 | -81.6 | 0 | 0 | 0 | 109.3 | G984 R987 | Y982-G984 WeakPolarHBondContact CE1-O 3.41Å; Y982-G984 PolarHBondContact O-N 3.36Å; Y982-R987 HydrophobicContact CD2-CG 3.69Å; Y982-R987 HydrophobicContact CE2-CG 3.55Å |
| 983 | E | 66.2 | Low | 86.4 | Confident | 136 Ų | 136 | 68.2 Ų | 68.2 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 93.4 | -178.8 | -67.9 | -162.2 | 178 | 0 | 0 | 110.1 | R985 W986 | E983-R985 PolarHBondContact O-N 3.46Å; E983-W986 PolarHBondContact N-O 3.49Å; E983-W986 PolarHBondContact O-N 3.47Å |
| 984 | G | 69.3 | Low | 86.4 | Confident | 68 Ų | 68 | 68.2 Ų | 68.2 | 70% | 0.701 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | -85.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y982 | Y982-G984 WeakPolarHBondContact CE1-O 3.41Å; Y982-G984 PolarHBondContact O-N 3.36Å |
| 985 | R | 68.8 | Low | 86.4 | Confident | 222 Ų | 222 | 72.1 Ų | 72.1 | 84% | 0.838 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -9.5 | -178.1 | -69.8 | -169.8 | -179.4 | -168.9 | 0.4 | 114.2 | E983 | E983-R985 PolarHBondContact O-N 3.46Š|
| 986 | W | 65.8 | Low | 86.4 | Confident | 211 Ų | 211 | 71.9 Ų | 71.9 | 80% | 0.799 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.2 | -172.4 | -56.7 | 109.3 | 0 | 0 | 0 | 111.7 | E983 | E983-W986 PolarHBondContact N-O 3.49Å; E983-W986 PolarHBondContact O-N 3.47Å |
| 987 | R | 75.4 | Confident | 86.3 | Confident | 137 Ų | 137 | 72.8 Ų | 72.8 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 118.8 | 168.3 | -73.1 | 176.1 | 161.6 | -177.3 | -6.2 | 108.6 | Y982 D1030 | Y982-R987 HydrophobicContact CD2-CG 3.69Å; Y982-R987 HydrophobicContact CE2-CG 3.55Å; R987-D1030 WeakPolarHBondContact CD-OD1 3.41Å; R987-D1030 IonicContact CZ-OD1 2.69Å; R987-D1030 IonicContact NE-OD1 2.72Å; R987-D1030 IonicContact NH1-OD1 3.36Å; R987-D1030 PolarHBondContact NH1-OD1 3.17Å |
| 988 | Q | 82.8 | Confident | 86.3 | Confident | 96 Ų | 96 | 74 Ų | 74 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.9 | 174.6 | -163.2 | -177.9 | 27.8 | 0 | 0 | 110.8 | F980 S981 | F980-Q988 WeakPolarHBondContact CA-O 3.22Å; S981-Q988 PolarHBondContact N-O 3.29Å; S981-Q988 PolarHBondContact O-N 2.96Å |
| 989 | K | 89.4 | Confident | 86.2 | Confident | 21 Ų | 21 | 73 Ų | 73 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.9 | 171.6 | 179.3 | -177.8 | 165.7 | -178.9 | 0 | 110.4 | R979 F980 Q991 H1025 G1027 | R979-K989 HydrophobicContact CB-CG 4.2Å; R979-K989 CarbonylContact O-C 3.54Å; R979-K989 WeakPolarHBondContact O-CA 3.35Å; F980-K989 HydrophobicContact CD1-CB 4.04Å; F980-K989 HydrophobicContact CD1-CG 4.19Å; F980-K989 HydrophobicContact CE1-CB 4.19Å; F980-K989 HydrophobicContact CE1-CD 3.95Å; F980-K989 HydrophobicContact CE1-CG 4.09Å; K989-Q991 PolarHBondContact O-N 3.24Å; K989-H1025 PolarHBondContact NZ-ND1 3.38Å; K989-H1025 PolarHBondContact NZ-O 3.08Å; K989-G1027 WeakPolarHBondContact CD-O 3.44Å; K989-G1027 WeakPolarHBondContact CE-O 3.08Å; K989-G1027 PolarHBondContact NZ-O 3.18Å |
| 990 | L | 89.7 | Confident | 86.2 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | trans | -71.6 | 109.2 | 174.6 | -62.2 | 174.4 | 0 | 0 | 0 | 110 | L922 R979 T992 | L922-L990 HydrophobicContact CD1-CB 3.68Å; L922-L990 HydrophobicContact CD1-CD1 3.91Å; L922-L990 HydrophobicContact CD1-CG 4.46Å; R979-L990 PolarHBondContact NH1-O 2.93Å; R979-L990 PolarHBondContact O-N 3.18Å; L990-T992 PolarHBondContact O-N 3.5Å | ||
| 991 | Q | 92.6 | Very high | 86.5 | Confident | 102 Ų | 102 | 74.1 Ų | 74.1 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | trans | -82.9 | 20.3 | 179.6 | -55.3 | -65.6 | -2.5 | 0 | 0 | 113.1 | K989 S993 S1065 | K989-Q991 PolarHBondContact O-N 3.24Å; Q991-S993 PolarHBondContact O-N 3.44Å; Q991-S1065 WeakPolarHBondContact O-CB 3.34Å | ||
| 992 | T | 95.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -52.9 | 127.5 | -176.8 | -46.1 | 0 | 0 | 0 | 0 | 111.4 | S924 T925 S926 R979 L990 V994 | S924-T992 WeakPolarHBondContact O-CG2 3.48Å; S924-T992 PolarHBondContact O-OG1 3.13Å; T925-T992 VanDerWaalsContact C-OG1 3.3Å; T925-T992 PolarHBondContact O-OG1 2.98Å; S926-T992 WeakPolarHBondContact O-CA 3.48Å; R979-T992 PolarHBondContact NH1-O 3.06Å; R979-T992 PolarHBondContact NH2-O 3.35Å; R979-T992 VanDerWaalsContact NH2-O 3.13Å; L990-T992 PolarHBondContact O-N 3.5Å; T992-V994 HydrophobicContact CG2-CG2 4.43Å; T992-V994 PolarHBondContact O-N 3.49Å; T992-V994 VanDerWaalsContact O-N 3.15Å | ||
| 993 | S | 96.9 | Very high | 88.3 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 104 | 171.1 | -174 | 0 | 0 | 0 | 0 | 108.2 | S926 K927 C928 Q991 | S926-S993 PolarHBondContact O-N 3.28Å; K927-S993 WeakPolarHBondContact CA-O 3.39Å; C928-S993 PolarHBondContact N-O 3.42Å; Q991-S993 PolarHBondContact O-N 3.44Å |
| 994 | V | 98.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121.1 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | L922 C928 L930 L977 T992 F996 | L922-V994 HydrophobicContact CD2-CG2 3.61Å; C928-V994 CarbonylContact O-C 3.49Å; C928-V994 WeakPolarHBondContact O-CA 3.24Å; L930-V994 HydrophobicContact CB-CG1 4.4Å; L977-V994 HydrophobicContact CD1-CB 4.12Å; L977-V994 HydrophobicContact CD1-CG1 4.3Å; L977-V994 HydrophobicContact CD1-CG2 4.08Å; L977-V994 HydrophobicContact CD2-CG1 4.3Å; T992-V994 HydrophobicContact CG2-CG2 4.43Å; T992-V994 PolarHBondContact O-N 3.49Å; T992-V994 VanDerWaalsContact O-N 3.15Å; V994-F996 VanDerWaalsContact O-CD1 3.27Å; V994-F996 WeakPolarHBondContact O-CD1 3.43Å; V994-F996 PolarHBondContact O-N 3.43Å |
| 995 | D | 97.8 | Very high | 90.7 | Very high | 82 Ų | 82 | 66 Ų | 66 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 116 | 173.3 | -173.7 | 17.3 | 0 | 0 | 0 | 110.3 | C928 S929 L930 K1063 | C928-D995 PolarHBondContact O-N 3Å; S929-D995 CarbonylContact C-O 3.56Å; S929-D995 WeakPolarHBondContact CA-O 3.37Å; L930-D995 PolarHBondContact N-O 3.01Å; D995-K1063 WeakPolarHBondContact OD1-CD 3.44Å; D995-K1063 WeakPolarHBondContact OD1-CE 3.3Å; D995-K1063 IonicContact OD1-NZ 3.09Å; D995-K1063 PolarHBondContact OD1-NZ 3.02Å |
| 996 | F | 98 | Very high | 92 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -126.9 | 141.6 | 177.4 | 57.3 | -93.2 | 0 | 0 | 0 | 111.1 | L930 V994 L998 L1019 V1022 K1063 A1067 L1070 | L930-F996 HydrophobicContact CB-CB 4.13Å; L930-F996 HydrophobicContact CD2-CB 4.02Å; V994-F996 VanDerWaalsContact O-CD1 3.27Å; V994-F996 WeakPolarHBondContact O-CD1 3.43Å; V994-F996 PolarHBondContact O-N 3.43Å; F996-L998 HydrophobicContact CE2-CD1 4.39Å; F996-L1019 HydrophobicContact CD2-CD2 3.99Å; F996-L1019 HydrophobicContact CE2-CD2 3.66Å; F996-V1022 HydrophobicContact CE2-CG2 4.4Å; F996-K1063 HydrophobicContact CD1-CG 4.47Å; F996-K1063 HydrophobicContact CE1-CG 4.12Å; F996-K1063 HydrophobicContact CZ-CB 4.33Å; F996-K1063 HydrophobicContact CZ-CG 4.17Å; F996-K1063 WeakPolarHBondContact O-CE 3.18Å; F996-K1063 PolarHBondContact O-NZ 3.18Å; F996-A1067 HydrophobicContact CE1-CB 3.55Å; F996-A1067 HydrophobicContact CZ-CB 3.71Å; F996-L1070 HydrophobicContact CB-CD1 3.82Å; F996-L1070 HydrophobicContact CD1-CD1 4.06Å; F996-L1070 HydrophobicContact CD1-CD2 4.13Å; F996-L1070 HydrophobicContact CD2-CD1 4.15Å; F996-L1070 HydrophobicContact CD2-CD2 4.02Å; F996-L1070 HydrophobicContact CE1-CD2 3.97Å; F996-L1070 HydrophobicContact CE2-CD2 3.85Å; F996-L1070 HydrophobicContact CG-CD1 3.76Å; F996-L1070 HydrophobicContact CG-CD2 4.16Å; F996-L1070 HydrophobicContact CZ-CD2 3.81Å | ||
| 997 | P | 96.8 | Very high | 93.4 | Very high | 29 Ų | 29 | 46.5 Ų | 46.5 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | trans | -74.6 | 143.1 | 177.2 | 31.3 | -36.1 | 0 | 0 | 0 | 111.6 | L1001 Y1072 | P997-L1001 HydrophobicContact CG-CB 3.76Å; P997-L1001 HydrophobicContact CG-CD1 3.8Å; P997-L1001 HydrophobicContact CG-CG 4.29Å; P997-Y1072 WeakPolarHBondContact O-CE1 3.42Å; P997-Y1072 PolarHBondContact O-OH 3.47Å | ||
| 998 | L | 97.1 | Very high | 94.4 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -81.5 | -32.5 | 173.2 | -90 | 65.8 | 0 | 0 | 0 | 112.2 | F996 L1019 W1046 S1059 V1062 K1063 | F996-L998 HydrophobicContact CE2-CD1 4.39Å; L998-L1019 HydrophobicContact CD1-CD2 4.41Å; L998-L1019 HydrophobicContact CG-CD2 4.17Å; L998-L1019 WeakPolarHBondContact O-CB 3.48Å; L998-L1019 PolarHBondContact O-N 3.42Å; L998-W1046 HydrophobicContact CD2-CZ2 4.48Å; L998-W1046 HydrophobicContact CG-CZ2 4.48Å; L998-S1059 WeakPolarHBondContact CD2-O 3.44Å; L998-V1062 HydrophobicContact CD2-CB 4.25Å; L998-K1063 HydrophobicContact CD1-CB 4.41Å |
| 999 | D | 95.3 | Very high | 94.9 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -138.1 | 154 | -179.2 | -56.3 | -87.3 | 0 | 0 | 0 | 108.9 | L1001 N1018 K1039 | D999-L1001 PolarHBondContact O-N 3.2Å; D999-N1018 WeakPolarHBondContact CA-OD1 3.45Å; D999-K1039 IonicContact OD1-NZ 2.81Å; D999-K1039 PolarHBondContact OD1-NZ 2.91Å |
| 1000 | S | 94.1 | Very high | 95 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 47% | 0.469 | 23% | 0.227 | S | C | . | . | trans | 58.8 | 37.5 | 178.1 | -69.6 | 0 | 0 | 0 | 0 | 117.3 | D1002 Y1017 N1018 | S1000-D1002 PolarHBondContact O-N 2.73Å; S1000-Y1017 PolarHBondContact N-O 3.26Å; S1000-N1018 PolarHBondContact N-OD1 2.78Å | ||
| 1001 | L | 96.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 118.7 | 166.9 | 174.3 | 59.8 | 0 | 0 | 0 | 110.5 | L930 P997 D999 L1003 R1016 Y1017 Y1072 | L930-L1001 HydrophobicContact CD2-CD1 4.23Å; L930-L1001 HydrophobicContact CD2-CD2 4.02Å; P997-L1001 HydrophobicContact CG-CB 3.76Å; P997-L1001 HydrophobicContact CG-CD1 3.8Å; P997-L1001 HydrophobicContact CG-CG 4.29Å; D999-L1001 PolarHBondContact O-N 3.2Å; L1001-L1003 HydrophobicContact CD1-CD2 4.14Å; L1001-L1003 HydrophobicContact CD2-CD2 4.14Å; L1001-L1003 HydrophobicContact CD2-CG 4.46Å; L1001-L1003 HydrophobicContact CG-CD2 4.05Å; L1001-L1003 HydrophobicContact CG-CG 4.27Å; L1001-R1016 CarbonylContact O-C 3.54Å; L1001-R1016 WeakPolarHBondContact O-CA 3.36Å; L1001-Y1017 PolarHBondContact N-O 3.13Å; L1001-Y1017 PolarHBondContact O-N 3.49Å; L1001-Y1072 HydrophobicContact CB-CD1 4.3Å; L1001-Y1072 HydrophobicContact CB-CE1 3.95Å; L1001-Y1072 HydrophobicContact CD2-CD1 3.9Å; L1001-Y1072 HydrophobicContact CD2-CD2 4.01Å; L1001-Y1072 HydrophobicContact CD2-CE1 3.7Å; L1001-Y1072 HydrophobicContact CD2-CE2 3.78Å; L1001-Y1072 HydrophobicContact CD2-CG 4.06Å; L1001-Y1072 HydrophobicContact CG-CE1 4.47Å |
| 1002 | D | 94.8 | Very high | 94.1 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 34% | 0.337 | 26% | 0.257 | S | S | . | . | trans | -100.7 | 116.1 | 177 | -160.4 | -34.8 | 0 | 0 | 0 | 111.3 | S1000 A1004 R1016 | S1000-D1002 PolarHBondContact O-N 2.73Å; D1002-A1004 WeakPolarHBondContact OD1-CB 3.49Å; D1002-A1004 PolarHBondContact OD1-N 3.04Å; D1002-R1016 HydrophobicContact CB-CG 4.39Å; D1002-R1016 IonicContact OD2-NE 2.64Å | ||
| 1003 | L | 94.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | trans | -98.4 | -2.2 | 177.5 | -62.7 | -178 | 0 | 0 | 0 | 113.5 | L934 V969 V973 L1001 Q1005 Y1006 V1007 Y1017 | L934-L1003 HydrophobicContact CD1-CD2 3.79Å; V969-L1003 HydrophobicContact CG1-CD1 4.05Å; V973-L1003 HydrophobicContact CG1-CD1 4.5Å; V973-L1003 HydrophobicContact CG2-CD1 4.21Å; L1001-L1003 HydrophobicContact CD1-CD2 4.14Å; L1001-L1003 HydrophobicContact CD2-CD2 4.14Å; L1001-L1003 HydrophobicContact CD2-CG 4.46Å; L1001-L1003 HydrophobicContact CG-CD2 4.05Å; L1001-L1003 HydrophobicContact CG-CG 4.27Å; L1003-Q1005 PolarHBondContact O-N 3.23Å; L1003-Q1005 VanDerWaalsContact O-N 3.1Å; L1003-Y1006 HydrophobicContact CD2-CD2 4.09Å; L1003-Y1006 PolarHBondContact O-N 3.1Å; L1003-V1007 PolarHBondContact O-N 2.64Å; L1003-V1007 VanDerWaalsContact O-N 3.13Å; L1003-Y1017 HydrophobicContact CD1-CD2 4Å; L1003-Y1017 HydrophobicContact CD1-CE2 3.78Å; L1003-Y1017 HydrophobicContact CG-CD2 4.23Å; L1003-Y1017 HydrophobicContact CG-CE2 4.27Å | ||
| 1004 | A | 93.2 | Very high | 92.6 | Very high | 30 Ų | 30 | 54.8 Ų | 54.8 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1002 K1011 L1014 | D1002-A1004 WeakPolarHBondContact OD1-CB 3.49Å; D1002-A1004 PolarHBondContact OD1-N 3.04Å; A1004-K1011 PolarHBondContact O-NZ 3.1Å; A1004-L1014 HydrophobicContact CB-CD1 3.86Å |
| 1005 | Q | 93.1 | Very high | 92.2 | Very high | 126 Ų | 126 | 62.5 Ų | 62.5 | 59% | 0.589 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -23.7 | 170.7 | 69.8 | -174 | -60.2 | 0 | 0 | 113.7 | L1003 | L1003-Q1005 PolarHBondContact O-N 3.23Å; L1003-Q1005 VanDerWaalsContact O-N 3.1Å |
| 1006 | Y | 94.6 | Very high | 92.1 | Very high | 22 Ų | 22 | 65.9 Ų | 65.9 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -21.5 | -179 | -54.7 | -70 | 0 | 0 | 0 | 113 | Q931 L934 R935 L1003 | Q931-Y1006 VanDerWaalsContact CA-OH 3.22Å; Q931-Y1006 WeakPolarHBondContact CA-OH 3.49Å; Q931-Y1006 WeakPolarHBondContact CB-OH 3.31Å; Q931-Y1006 WeakPolarHBondContact CG-OH 3.45Å; Q931-Y1006 PolarHBondContact O-OH 3.36Å; Q931-Y1006 VanDerWaalsContact O-OH 3.12Å; L934-Y1006 HydrophobicContact CB-CD1 3.92Å; L934-Y1006 HydrophobicContact CB-CD2 4.36Å; L934-Y1006 HydrophobicContact CB-CE1 3.71Å; L934-Y1006 HydrophobicContact CB-CE2 4.19Å; L934-Y1006 HydrophobicContact CB-CG 4.24Å; L934-Y1006 HydrophobicContact CD1-CD2 3.88Å; L934-Y1006 HydrophobicContact CD1-CE2 3.68Å; L934-Y1006 HydrophobicContact CD1-CG 4.49Å; R935-Y1006 HydrophobicContact CG-CE1 4.04Å; L1003-Y1006 HydrophobicContact CD2-CD2 4.09Å; L1003-Y1006 PolarHBondContact O-N 3.1Å |
| 1007 | V | 95.9 | Very high | 92 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 123.6 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 110 | I966 W967 V969 L1003 K1011 L1014 | I966-V1007 HydrophobicContact CG2-CG2 4.17Å; I966-V1007 CarbonylContact O-C 3.55Å; I966-V1007 VanDerWaalsContact O-CA 3.3Å; I966-V1007 WeakPolarHBondContact O-CA 3.46Å; W967-V1007 WeakPolarHBondContact O-CG1 3.38Å; V969-V1007 HydrophobicContact CG1-CG2 3.83Å; V969-V1007 HydrophobicContact CG2-CG2 4.13Å; L1003-V1007 PolarHBondContact O-N 2.64Å; L1003-V1007 VanDerWaalsContact O-N 3.13Å; V1007-K1011 WeakPolarHBondContact O-CE 3.29Å; V1007-K1011 PolarHBondContact O-NZ 2.85Å; V1007-L1014 HydrophobicContact CB-CD1 3.87Å; V1007-L1014 HydrophobicContact CG1-CD1 3.97Å; V1007-L1014 HydrophobicContact CG1-CD2 4.42Å; V1007-L1014 HydrophobicContact CG2-CD1 4.15Å; V1007-L1014 HydrophobicContact CG2-CD2 4.18Å |
| 1008 | I | 95.7 | Very high | 92.1 | Very high | 67 Ų | 67 | 68.1 Ų | 68.1 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | trans | -95.7 | -18.1 | 176.9 | 59.3 | 155 | 0 | 0 | 0 | 113.7 | K897 E965 I966 W967 | K897-I1008 HydrophobicContact CB-CD1 4.04Å; K897-I1008 HydrophobicContact CD-CD1 3.64Å; E965-I1008 HydrophobicContact CB-CD1 3.55Å; E965-I1008 HydrophobicContact CB-CG1 4.02Å; E965-I1008 HydrophobicContact CB-CG2 4.46Å; E965-I1008 HydrophobicContact CG-CD1 4.38Å; I966-I1008 WeakPolarHBondContact O-CG1 3.48Å; I966-I1008 PolarHBondContact O-N 3.16Å; W967-I1008 HydrophobicContact CE3-CD1 3.83Å; W967-I1008 HydrophobicContact CE3-CG1 3.88Å; W967-I1008 HydrophobicContact CZ3-CD1 4.29Å; W967-I1008 HydrophobicContact CZ3-CG1 4.46Å | ||
| 1009 | G | 94 | Very high | 92.1 | Very high | 7 Ų | 7 | 67 Ų | 67 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -84.7 | -165.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | W967 K1011 | W967-G1009 WeakPolarHBondContact O-CA 3.48Å; W967-G1009 PolarHBondContact O-N 3.24Å; G1009-K1011 WeakPolarHBondContact O-CG 3.4Å; G1009-K1011 PolarHBondContact O-N 2.95Å |
| 1010 | P | 91.3 | Very high | 92.2 | Very high | 57 Ų | 57 | 64.1 Ų | 64.1 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | trans | -54.3 | 126.8 | -176.6 | -31.2 | 37.8 | 0 | 0 | 0 | 114.8 | ||||
| 1011 | K | 88.2 | Confident | 92.5 | Very high | 110 Ų | 110 | 60.9 Ų | 60.9 | 48% | 0.478 | 29% | 0.292 | S | S | . | . | trans | -95.6 | -6.5 | -174.5 | -52.2 | -162 | -178.5 | -159.9 | 0 | 114.7 | A1004 V1007 G1009 N1013 L1014 | A1004-K1011 PolarHBondContact O-NZ 3.1Å; V1007-K1011 WeakPolarHBondContact O-CE 3.29Å; V1007-K1011 PolarHBondContact O-NZ 2.85Å; G1009-K1011 WeakPolarHBondContact O-CG 3.4Å; G1009-K1011 PolarHBondContact O-N 2.95Å; K1011-N1013 PolarHBondContact O-N 2.72Å; K1011-N1013 VanDerWaalsContact O-N 3.13Å; K1011-L1014 HydrophobicContact CB-CD1 3.82Å; K1011-L1014 HydrophobicContact CB-CG 4.44Å; K1011-L1014 HydrophobicContact CD-CD1 4.41Å; K1011-L1014 HydrophobicContact CG-CD1 3.9Å; K1011-L1014 PolarHBondContact O-N 3.18Å; K1011-L1014 VanDerWaalsContact O-N 3.1Å | ||
| 1012 | Q | 76.1 | Confident | 92.6 | Very high | 179 Ų | 179 | 60.8 Ų | 60.8 | 84% | 0.836 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.9 | -170.5 | -67.9 | 157.5 | -18.6 | 0 | 0 | 114.5 | ||
| 1013 | N | 75.3 | Confident | 92.8 | Very high | 151 Ų | 151 | 57.8 Ų | 57.8 | 81% | 0.807 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 10.2 | -178.6 | -69.7 | -42.4 | 0 | 0 | 0 | 113.5 | K1011 R1015 | K1011-N1013 PolarHBondContact O-N 2.72Å; K1011-N1013 VanDerWaalsContact O-N 3.13Å; N1013-R1015 PolarHBondContact O-N 3.07Å |
| 1014 | L | 84.8 | Confident | 92.9 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | trans | -73.8 | 124.6 | -178.5 | -65 | 179.5 | 0 | 0 | 0 | 111 | V969 A1004 V1007 K1011 | V969-L1014 HydrophobicContact CG2-CD2 3.44Å; V969-L1014 VanDerWaalsContact CG2-CD2 3.44Å; A1004-L1014 HydrophobicContact CB-CD1 3.86Å; V1007-L1014 HydrophobicContact CB-CD1 3.87Å; V1007-L1014 HydrophobicContact CG1-CD1 3.97Å; V1007-L1014 HydrophobicContact CG1-CD2 4.42Å; V1007-L1014 HydrophobicContact CG2-CD1 4.15Å; V1007-L1014 HydrophobicContact CG2-CD2 4.18Å; K1011-L1014 HydrophobicContact CB-CD1 3.82Å; K1011-L1014 HydrophobicContact CB-CG 4.44Å; K1011-L1014 HydrophobicContact CD-CD1 4.41Å; K1011-L1014 HydrophobicContact CG-CD1 3.9Å; K1011-L1014 PolarHBondContact O-N 3.18Å; K1011-L1014 VanDerWaalsContact O-N 3.1Å | ||
| 1015 | R | 89.1 | Confident | 93.2 | Very high | 164 Ų | 164 | 56.1 Ų | 56.1 | 62% | 0.619 | 26% | 0.262 | S | S | * | . | trans | -111.6 | 159.5 | 173.8 | -66.5 | 177.7 | 177.6 | -163.7 | -1.7 | 109.3 | N1013 Y1017 T1074 | N1013-R1015 PolarHBondContact O-N 3.07Å; R1015-Y1017 WeakPolarHBondContact O-CE2 3.36Å; R1015-T1074 HydrophobicContact CB-CG2 3.61Å; R1015-T1074 PolarHBondContact NH1-O 3.12Å | ||
| 1016 | R | 95 | Very high | 93.3 | Very high | 152 Ų | 152 | 54.3 Ų | 54.3 | 57% | 0.574 | 25% | 0.251 | S | S | * | . | trans | -77.3 | 145.2 | 168.6 | -60.1 | -172.9 | -174.8 | 148.4 | 2.3 | 110.2 | L1001 D1002 | L1001-R1016 CarbonylContact O-C 3.54Å; L1001-R1016 WeakPolarHBondContact O-CA 3.36Å; D1002-R1016 HydrophobicContact CB-CG 4.39Å; D1002-R1016 IonicContact OD2-NE 2.64Å | ||
| 1017 | Y | 97.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -98.8 | 142.5 | -177.7 | -65.8 | -106.5 | 0 | 0 | 0 | 111.6 | V969 P970 P971 V973 S1000 L1001 L1003 R1015 S1073 T1074 | V969-Y1017 WeakPolarHBondContact CB-OH 3.33Å; V969-Y1017 HydrophobicContact CG2-CE2 4.41Å; V969-Y1017 WeakPolarHBondContact CG2-OH 3.32Å; P970-Y1017 WeakPolarHBondContact O-CE1 3.44Å; P970-Y1017 PolarHBondContact O-OH 3.24Å; P971-Y1017 WeakPolarHBondContact O-CE1 3.45Å; V973-Y1017 HydrophobicContact CB-CD1 4.05Å; V973-Y1017 HydrophobicContact CB-CE1 3.81Å; V973-Y1017 HydrophobicContact CG2-CD1 4.04Å; V973-Y1017 HydrophobicContact CG2-CE1 3.32Å; V973-Y1017 HydrophobicContact CG2-CE2 4.49Å; S1000-Y1017 PolarHBondContact N-O 3.26Å; L1001-Y1017 PolarHBondContact N-O 3.13Å; L1001-Y1017 PolarHBondContact O-N 3.49Å; L1003-Y1017 HydrophobicContact CD1-CD2 4Å; L1003-Y1017 HydrophobicContact CD1-CE2 3.78Å; L1003-Y1017 HydrophobicContact CG-CD2 4.23Å; L1003-Y1017 HydrophobicContact CG-CE2 4.27Å; R1015-Y1017 WeakPolarHBondContact O-CE2 3.36Å; Y1017-S1073 CarbonylContact C-O 3.57Å; Y1017-S1073 VanDerWaalsContact CA-O 3.3Å; Y1017-S1073 WeakPolarHBondContact CA-O 3.39Å; Y1017-T1074 HydrophobicContact CD1-CG2 3.55Å; Y1017-T1074 HydrophobicContact CD2-CG2 3.71Å; Y1017-T1074 HydrophobicContact CE1-CG2 3.45Å; Y1017-T1074 VanDerWaalsContact CE1-CG2 3.45Å; Y1017-T1074 HydrophobicContact CE2-CG2 3.61Å; Y1017-T1074 HydrophobicContact CG-CG2 3.64Å; Y1017-T1074 VanDerWaalsContact CZ-CG2 3.47Å |
| 1018 | N | 97.5 | Very high | 92.5 | Very high | 70 Ų | 70 | 57.2 Ų | 57.2 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.8 | 169.4 | -57.9 | -38 | 0 | 0 | 0 | 109.7 | D999 S1000 Y1072 S1073 | D999-N1018 WeakPolarHBondContact CA-OD1 3.45Å; S1000-N1018 PolarHBondContact N-OD1 2.78Å; N1018-Y1072 CarbonylContact O-C 3.47Å; N1018-Y1072 WeakPolarHBondContact O-CA 3.45Å; N1018-S1073 PolarHBondContact N-O 3.32Å; N1018-S1073 PolarHBondContact O-N 3.17Å |
| 1019 | L | 98.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.5 | 176.7 | -168.7 | 77.2 | 0 | 0 | 0 | 108.9 | F996 L998 V1022 W1046 V1062 L1070 Y1072 | F996-L1019 HydrophobicContact CD2-CD2 3.99Å; F996-L1019 HydrophobicContact CE2-CD2 3.66Å; L998-L1019 HydrophobicContact CD1-CD2 4.41Å; L998-L1019 HydrophobicContact CG-CD2 4.17Å; L998-L1019 WeakPolarHBondContact O-CB 3.48Å; L998-L1019 PolarHBondContact O-N 3.42Å; L1019-V1022 HydrophobicContact CD1-CG2 4.15Å; L1019-V1022 HydrophobicContact CD2-CG2 3.65Å; L1019-V1022 HydrophobicContact CG-CG2 4.14Å; L1019-W1046 HydrophobicContact CB-CH2 4.28Å; L1019-W1046 HydrophobicContact CB-CZ2 4.45Å; L1019-W1046 HydrophobicContact CD2-CH2 3.86Å; L1019-W1046 HydrophobicContact CD2-CZ2 4.29Å; L1019-W1046 HydrophobicContact CG-CH2 3.89Å; L1019-W1046 HydrophobicContact CG-CZ2 4.47Å; L1019-W1046 WeakPolarHBondContact O-CH2 3.42Å; L1019-W1046 WeakPolarHBondContact O-CZ2 3.3Å; L1019-V1062 HydrophobicContact CD2-CG1 4.17Å; L1019-L1070 HydrophobicContact CD1-CB 3.84Å; L1019-L1070 HydrophobicContact CD1-CD2 4.4Å; L1019-Y1072 HydrophobicContact CB-CD1 4.06Å; L1019-Y1072 HydrophobicContact CB-CE1 3.69Å; L1019-Y1072 HydrophobicContact CD1-CD1 4.15Å; L1019-Y1072 HydrophobicContact CD1-CD2 3.98Å; L1019-Y1072 HydrophobicContact CD1-CE1 3.82Å; L1019-Y1072 HydrophobicContact CD1-CE2 3.65Å; L1019-Y1072 HydrophobicContact CD1-CG 4.21Å; L1019-Y1072 HydrophobicContact CG-CE1 4.35Å |
| 1020 | Y | 98.1 | Very high | 90.8 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 6% | 0.059 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -21.2 | 176.9 | 71.3 | -89.6 | 0 | 0 | 0 | 113.3 | N763 T764 I972 C1038 K1039 F1071 | N763-Y1020 WeakPolarHBondContact O-CD2 3.36Å; T764-Y1020 VanDerWaalsContact CA-CE2 3.49Å; T764-Y1020 WeakPolarHBondContact CB-OH 2.95Å; T764-Y1020 HydrophobicContact CG2-CE2 4.46Å; T764-Y1020 VanDerWaalsContact CG2-OH 3.31Å; T764-Y1020 WeakPolarHBondContact CG2-OH 3.01Å; T764-Y1020 WeakPolarHBondContact OG1-CE2 3.48Å; T764-Y1020 PolarHBondContact OG1-OH 3.32Å; I972-Y1020 HydrophobicContact CD1-CE1 4.33Å; I972-Y1020 HydrophobicContact CG2-CE1 4.07Å; I972-Y1020 VanDerWaalsContact CG2-OH 3.27Å; I972-Y1020 WeakPolarHBondContact CG2-OH 3.46Å; Y1020-C1038 CarbonylContact O-C 3.59Å; Y1020-C1038 WeakPolarHBondContact O-CA 3.48Å; Y1020-K1039 PolarHBondContact O-N 3.15Å; Y1020-F1071 HydrophobicContact CD1-CB 4.37Å; Y1020-F1071 VanDerWaalsContact CD1-O 3.26Å; Y1020-F1071 WeakPolarHBondContact CD1-O 3.4Å; Y1020-F1071 HydrophobicContact CE1-CB 3.83Å; Y1020-F1071 HydrophobicContact CE2-CB 3.99Å; Y1020-F1071 PolarHBondContact N-O 3.47Å |
| 1021 | A | 98.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 158.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | C760 Y1037 C1038 F1071 | C760-A1021 HydrophobicContact CB-CB 3.81Å; A1021-Y1037 CarbonylContact C-O 3.56Å; A1021-Y1037 WeakPolarHBondContact CA-O 3.45Å; A1021-C1038 HydrophobicContact CB-CB 4.3Å; A1021-F1071 HydrophobicContact CB-CB 3.89Å; A1021-F1071 HydrophobicContact CB-CD2 4.3Å; A1021-F1071 HydrophobicContact CB-CG 4.12Å; A1021-F1071 PolarHBondContact N-O 2.61Å; A1021-F1071 WeakPolarHBondContact O-CB 3.42Å; A1021-F1071 PolarHBondContact O-N 2.98Å |
| 1022 | V | 98.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 123.9 | 173.7 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | F996 L1019 N1024 A1036 Y1037 V1062 A1067 I1069 L1070 | F996-V1022 HydrophobicContact CE2-CG2 4.4Å; L1019-V1022 HydrophobicContact CD1-CG2 4.15Å; L1019-V1022 HydrophobicContact CD2-CG2 3.65Å; L1019-V1022 HydrophobicContact CG-CG2 4.14Å; V1022-N1024 WeakPolarHBondContact CG1-OD1 3.43Å; V1022-N1024 PolarHBondContact O-ND2 3.05Å; V1022-A1036 CarbonylContact O-C 3.51Å; V1022-A1036 VanDerWaalsContact O-CA 3.31Å; V1022-A1036 WeakPolarHBondContact O-CA 3.47Å; V1022-Y1037 PolarHBondContact N-O 3.22Å; V1022-Y1037 PolarHBondContact O-N 3.36Å; V1022-V1062 HydrophobicContact CG2-CG1 4.14Å; V1022-A1067 HydrophobicContact CG1-CB 3.68Å; V1022-I1069 CarbonylContact C-O 3.45Å; V1022-I1069 WeakPolarHBondContact CA-O 3.41Å; V1022-L1070 HydrophobicContact CG1-CD2 4.06Å; V1022-L1070 HydrophobicContact CG2-CD2 3.96Å |
| 1023 | S | 98.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 125.8 | 158.4 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | S756 Y1068 I1069 | S756-S1023 WeakPolarHBondContact CB-OG 3.29Å; S756-S1023 PolarHBondContact OG-OG 3.21Å; S1023-Y1068 PolarHBondContact O-N 3.15Å; S1023-I1069 PolarHBondContact N-O 3.41Å; S1023-I1069 PolarHBondContact O-N 3.3Å; S1023-I1069 VanDerWaalsContact O-N 3.12Å |
| 1024 | N | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147 | 178.2 | -56.1 | -83.3 | 0 | 0 | 0 | 109.6 | V1022 Y1026 Y1034 T1035 Y1037 A1066 | V1022-N1024 WeakPolarHBondContact CG1-OD1 3.43Å; V1022-N1024 PolarHBondContact O-ND2 3.05Å; N1024-Y1026 HydrophobicContact CB-CE2 3.75Å; N1024-Y1034 VanDerWaalsContact O-CA 3.26Å; N1024-Y1034 WeakPolarHBondContact O-CA 3.1Å; N1024-T1035 PolarHBondContact N-O 3.05Å; N1024-T1035 PolarHBondContact ND2-O 2.98Å; N1024-T1035 PolarHBondContact O-N 3.42Å; N1024-Y1037 VanDerWaalsContact ND2-CD2 3.29Å; N1024-Y1037 WeakPolarHBondContact ND2-CD2 3.42Å; N1024-Y1037 VanDerWaalsContact ND2-CG 3.34Å; N1024-A1066 CarbonylContact C-O 3.56Å; N1024-A1066 VanDerWaalsContact CA-O 3.3Å; N1024-A1066 WeakPolarHBondContact CA-O 3.38Å; N1024-A1066 HydrophobicContact CB-CB 4.13Å |
| 1025 | H | 97.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.3 | 176.5 | -175.9 | -135.5 | 0 | 0 | 0 | 111.8 | F980 K989 G1028 H1033 Y1034 A1066 Y1068 | F980-H1025 AromaticContact CE1-CE1 3.74Å; F980-H1025 AromaticContact CE1-ND1 3.76Å; F980-H1025 AromaticContact CZ-CE1 3.42Å; F980-H1025 VanDerWaalsContact CZ-CE1 3.42Å; F980-H1025 WeakPolarHBondContact CZ-CE1 3.47Å; F980-H1025 AromaticContact CZ-ND1 3.26Å; F980-H1025 VanDerWaalsContact CZ-ND1 3.26Å; F980-H1025 WeakPolarHBondContact CZ-ND1 3.38Å; K989-H1025 PolarHBondContact NZ-ND1 3.38Å; K989-H1025 PolarHBondContact NZ-O 3.08Å; H1025-G1028 PolarHBondContact CE1-O 3.2Å; H1025-G1028 PolarHBondContact NE2-O 3.19Å; H1025-H1033 PolarHBondContact CD2-O 3.28Å; H1025-H1033 VanDerWaalsContact CD2-O 3.31Å; H1025-Y1034 HydrophobicContact CB-CD1 3.73Å; H1025-Y1034 HydrophobicContact CB-CE1 3.62Å; H1025-Y1034 AromaticContact CD2-CD1 3.74Å; H1025-Y1034 AromaticContact CD2-CD2 3.71Å; H1025-Y1034 AromaticContact CD2-CE1 3.59Å; H1025-Y1034 AromaticContact CD2-CE2 3.58Å; H1025-Y1034 AromaticContact CD2-CG 3.8Å; H1025-Y1034 AromaticContact CD2-CZ 3.53Å; H1025-Y1034 AromaticContact CG-CD1 3.92Å; H1025-Y1034 AromaticContact CG-CE1 3.56Å; H1025-Y1034 AromaticContact CG-CZ 3.8Å; H1025-Y1034 AromaticContact NE2-CE2 3.79Å; H1025-Y1034 AromaticContact NE2-CZ 3.87Å; H1025-A1066 PolarHBondContact N-O 2.84Å; H1025-Y1068 HydrophobicContact CB-CG 4.43Å |
| 1026 | Y | 95.4 | Very high | 93.7 | Very high | 87 Ų | 87 | 32.6 Ų | 32.6 | 34% | 0.341 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 153.1 | 178.7 | -56 | -93 | 0 | 0 | 0 | 110 | N1024 G1032 H1033 T1035 Y1037 A1066 | N1024-Y1026 HydrophobicContact CB-CE2 3.75Å; Y1026-G1032 CarbonylContact O-C 3.57Å; Y1026-G1032 WeakPolarHBondContact O-CA 3.4Å; Y1026-H1033 PolarHBondContact N-O 2.89Å; Y1026-H1033 PolarHBondContact O-N 2.94Å; Y1026-T1035 HydrophobicContact CE2-CG2 4.42Å; Y1026-T1035 WeakPolarHBondContact CE2-OG1 3.47Å; Y1026-Y1037 PolarHBondContact OH-OH 3Å; Y1026-Y1037 VanDerWaalsContact OH-OH 3.09Å; Y1026-A1066 HydrophobicContact CD1-CB 3.92Å; Y1026-A1066 HydrophobicContact CE1-CB 3.4Å; Y1026-A1066 VanDerWaalsContact CE1-CB 3.4Å; Y1026-A1066 HydrophobicContact CE2-CB 4.06Å; Y1026-A1066 HydrophobicContact CG-CB 4.45Å; Y1026-A1066 VanDerWaalsContact CZ-CB 3.47Å |
| 1027 | G | 91.4 | Very high | 93.9 | Very high | 45 Ų | 45 | 26.1 Ų | 26.1 | 46% | 0.464 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 73.4 | -168.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K989 | K989-G1027 WeakPolarHBondContact CD-O 3.44Å; K989-G1027 WeakPolarHBondContact CE-O 3.08Å; K989-G1027 PolarHBondContact NZ-O 3.18Å |
| 1028 | G | 83.1 | Confident | 94 | Very high | 40 Ų | 40 | 25.9 Ų | 25.9 | 41% | 0.412 | 17% | 0.166 | S | C | . | . | trans | -83.6 | -175 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1025 G1032 | H1025-G1028 PolarHBondContact CE1-O 3.2Å; H1025-G1028 PolarHBondContact NE2-O 3.19Å; G1028-G1032 WeakPolarHBondContact O-CA 3.33Å; G1028-G1032 PolarHBondContact O-N 3.29Å; G1028-G1032 VanDerWaalsContact O-N 3.14Å | ||
| 1029 | L | 75.8 | Confident | 94 | Very high | 23 Ų | 23 | 24.4 Ų | 24.4 | 12% | 0.12 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -72.9 | -46.9 | -179.8 | -178.2 | 57.6 | 0 | 0 | 0 | 112 | Q832 F980 G1031 | Q832-L1029 WeakPolarHBondContact CB-O 3.49Å; F980-L1029 HydrophobicContact CD1-CB 4.16Å; F980-L1029 HydrophobicContact CE1-CB 3.71Å; F980-L1029 HydrophobicContact CE1-CD1 4.09Å; F980-L1029 HydrophobicContact CE1-CG 4.37Å; F980-L1029 HydrophobicContact CE2-CD1 4.01Å; F980-L1029 HydrophobicContact CZ-CB 4.18Å; F980-L1029 HydrophobicContact CZ-CD1 3.64Å; F980-L1029 HydrophobicContact CZ-CG 4.41Å; L1029-G1031 PolarHBondContact O-N 3.12Å |
| 1030 | D | 77.1 | Confident | 93.8 | Very high | 106 Ų | 106 | 24.5 Ų | 24.5 | 57% | 0.567 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -5.4 | -167.5 | -40.1 | -76.2 | 0 | 0 | 0 | 113.9 | R987 | R987-D1030 WeakPolarHBondContact CD-OD1 3.41Å; R987-D1030 IonicContact CZ-OD1 2.69Å; R987-D1030 IonicContact NE-OD1 2.72Å; R987-D1030 IonicContact NH1-OD1 3.36Å; R987-D1030 PolarHBondContact NH1-OD1 3.17Å |
| 1031 | G | 82.8 | Confident | 93.5 | Very high | 66 Ų | 66 | 26.7 Ų | 26.7 | 68% | 0.68 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -157.8 | 34.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1029 | L1029-G1031 PolarHBondContact O-N 3.12Š|
| 1032 | G | 90.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | trans | -87.2 | -177.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q832 Y1026 G1028 | Q832-G1032 PolarHBondContact NE2-O 3.12Å; Y1026-G1032 CarbonylContact O-C 3.57Å; Y1026-G1032 WeakPolarHBondContact O-CA 3.4Å; G1028-G1032 WeakPolarHBondContact O-CA 3.33Å; G1028-G1032 PolarHBondContact O-N 3.29Å; G1028-G1032 VanDerWaalsContact O-N 3.14Å | ||
| 1033 | H | 97.5 | Very high | 92.8 | Very high | 58 Ų | 58 | 35.1 Ų | 35.1 | 27% | 0.269 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 137.5 | 173.1 | -174.2 | 49.7 | 0 | 0 | 0 | 111.4 | C752 H1025 Y1026 D1050 D1051 | C752-H1033 WeakPolarHBondContact CB-ND1 3.44Å; C752-H1033 PolarHBondContact SG-ND1 3.33Å; H1025-H1033 PolarHBondContact CD2-O 3.28Å; H1025-H1033 VanDerWaalsContact CD2-O 3.31Å; Y1026-H1033 PolarHBondContact N-O 2.89Å; Y1026-H1033 PolarHBondContact O-N 2.94Å; H1033-D1050 IonicContact CD2-OD1 3.72Å; H1033-D1050 IonicContact CE1-OD1 3.93Å; H1033-D1050 IonicContact NE2-OD1 3.53Å; H1033-D1050 PolarHBondContact NE2-OD1 3.31Å; H1033-D1051 IonicContact CE1-OD2 3.71Å; H1033-D1051 PolarHBondContact CE1-OD2 3.24Å |
| 1034 | Y | 98.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 139.4 | -178.7 | -67.6 | -94.9 | 0 | 0 | 0 | 111.8 | C752 Q833 S835 N1024 H1025 Y1068 | C752-Y1034 PolarHBondContact SG-N 2.95Å; C752-Y1034 VanDerWaalsContact SG-N 3.41Å; Q833-Y1034 WeakPolarHBondContact O-CE2 3.42Å; Q833-Y1034 PolarHBondContact O-OH 3.14Å; S835-Y1034 PolarHBondContact N-OH 3.07Å; S835-Y1034 WeakPolarHBondContact OG-CE1 3.38Å; N1024-Y1034 VanDerWaalsContact O-CA 3.26Å; N1024-Y1034 WeakPolarHBondContact O-CA 3.1Å; H1025-Y1034 HydrophobicContact CB-CD1 3.73Å; H1025-Y1034 HydrophobicContact CB-CE1 3.62Å; H1025-Y1034 AromaticContact CD2-CD1 3.74Å; H1025-Y1034 AromaticContact CD2-CD2 3.71Å; H1025-Y1034 AromaticContact CD2-CE1 3.59Å; H1025-Y1034 AromaticContact CD2-CE2 3.58Å; H1025-Y1034 AromaticContact CD2-CG 3.8Å; H1025-Y1034 AromaticContact CD2-CZ 3.53Å; H1025-Y1034 AromaticContact CG-CD1 3.92Å; H1025-Y1034 AromaticContact CG-CE1 3.56Å; H1025-Y1034 AromaticContact CG-CZ 3.8Å; H1025-Y1034 AromaticContact NE2-CE2 3.79Å; H1025-Y1034 AromaticContact NE2-CZ 3.87Å; Y1034-Y1068 AromaticContact CE1-CD1 3.96Å; Y1034-Y1068 HydrophobicContact CE1-CD1 3.96Å; Y1034-Y1068 HydrophobicContact CE1-CE1 4.24Å |
| 1035 | T | 98.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 152.8 | 173.3 | 67.6 | 0 | 0 | 0 | 0 | 110.5 | N1024 Y1026 F1049 D1050 | N1024-T1035 PolarHBondContact N-O 3.05Å; N1024-T1035 PolarHBondContact ND2-O 2.98Å; N1024-T1035 PolarHBondContact O-N 3.42Å; Y1026-T1035 HydrophobicContact CE2-CG2 4.42Å; Y1026-T1035 WeakPolarHBondContact CE2-OG1 3.47Å; T1035-F1049 WeakPolarHBondContact CB-O 3.38Å; T1035-D1050 HydrophobicContact CG2-CB 4.21Å; T1035-D1050 VanDerWaalsContact CG2-CG 3.49Å; T1035-D1050 WeakPolarHBondContact CG2-OD1 3.22Å |
| 1036 | A | 98.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q759 V1022 F1049 | Q759-A1036 HydrophobicContact CB-CB 3.7Å; Q759-A1036 HydrophobicContact CG-CB 4.48Å; V1022-A1036 CarbonylContact O-C 3.51Å; V1022-A1036 VanDerWaalsContact O-CA 3.31Å; V1022-A1036 WeakPolarHBondContact O-CA 3.47Å; A1036-F1049 HydrophobicContact CB-CB 4.32Å; A1036-F1049 PolarHBondContact N-O 3.32Å; A1036-F1049 PolarHBondContact O-N 3.44Å |
| 1037 | Y | 98.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.2 | 162.4 | -59.8 | -22.5 | 0 | 0 | 0 | 107.9 | A1021 V1022 N1024 Y1026 Y1047 K1048 I1057 V1062 | A1021-Y1037 CarbonylContact C-O 3.56Å; A1021-Y1037 WeakPolarHBondContact CA-O 3.45Å; V1022-Y1037 PolarHBondContact N-O 3.22Å; V1022-Y1037 PolarHBondContact O-N 3.36Å; N1024-Y1037 VanDerWaalsContact ND2-CD2 3.29Å; N1024-Y1037 WeakPolarHBondContact ND2-CD2 3.42Å; N1024-Y1037 VanDerWaalsContact ND2-CG 3.34Å; Y1026-Y1037 PolarHBondContact OH-OH 3Å; Y1026-Y1037 VanDerWaalsContact OH-OH 3.09Å; Y1037-Y1047 CarbonylContact C-O 3.58Å; Y1037-Y1047 WeakPolarHBondContact CA-O 3.47Å; Y1037-K1048 HydrophobicContact CD1-CB 3.96Å; Y1037-K1048 HydrophobicContact CD1-CG 4.11Å; Y1037-K1048 HydrophobicContact CE1-CB 3.98Å; Y1037-K1048 HydrophobicContact CE1-CD 4.16Å; Y1037-K1048 HydrophobicContact CE1-CG 3.81Å; Y1037-I1057 HydrophobicContact CD1-CD1 4.15Å; Y1037-I1057 HydrophobicContact CD2-CD1 4.4Å; Y1037-I1057 HydrophobicContact CE1-CD1 3.65Å; Y1037-I1057 HydrophobicContact CE2-CD1 3.91Å; Y1037-I1057 HydrophobicContact CG-CD1 4.5Å; Y1037-V1062 HydrophobicContact CD2-CB 4.36Å; Y1037-V1062 HydrophobicContact CD2-CG1 4.22Å |
| 1038 | C | 98.4 | Very high | 93 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.5 | 178.1 | -51.6 | 0 | 0 | 0 | 0 | 112 | N763 Y1020 A1021 W1046 Y1047 F1049 | N763-C1038 HydrophobicContact CB-CB 4.03Å; Y1020-C1038 CarbonylContact O-C 3.59Å; Y1020-C1038 WeakPolarHBondContact O-CA 3.48Å; A1021-C1038 HydrophobicContact CB-CB 4.3Å; C1038-W1046 VanDerWaalsContact C-CE3 3.44Å; C1038-W1046 WeakPolarHBondContact O-CA 3.45Å; C1038-Y1047 PolarHBondContact N-O 3.03Å; C1038-Y1047 PolarHBondContact O-N 2.77Å; C1038-F1049 HydrophobicContact CB-CD2 4.36Å; C1038-F1049 HydrophobicContact CB-CE2 3.77Å |
| 1039 | K | 97.6 | Very high | 93.8 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 104.6 | 174.8 | -167 | 176.4 | -178 | 176.9 | 0 | 108.3 | D999 Y1020 S1041 W1046 | D999-K1039 IonicContact OD1-NZ 2.81Å; D999-K1039 PolarHBondContact OD1-NZ 2.91Å; Y1020-K1039 PolarHBondContact O-N 3.15Å; K1039-S1041 PolarHBondContact O-N 3.2Å; K1039-W1046 HydrophobicContact CB-CD2 3.87Å; K1039-W1046 HydrophobicContact CB-CE3 4.05Å; K1039-W1046 HydrophobicContact CB-CG 4.48Å; K1039-W1046 HydrophobicContact CB-CH2 4.03Å; K1039-W1046 HydrophobicContact CB-CZ2 3.88Å; K1039-W1046 HydrophobicContact CB-CZ3 4.13Å; K1039-W1046 HydrophobicContact CD-CZ2 4Å; K1039-W1046 HydrophobicContact CG-CD2 4.36Å; K1039-W1046 HydrophobicContact CG-CZ2 4.33Å |
| 1040 | N | 95.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 121 | -179 | 175.1 | -94.9 | 0 | 0 | 0 | 109.9 | A740 S741 L742 L1042 K1043 Q1044 R1045 Y1047 | A740-N1040 PolarHBondContact O-ND2 3.24Å; S741-N1040 PolarHBondContact OG-ND2 2.9Å; L742-N1040 HydrophobicContact CD2-CB 4.04Å; N1040-L1042 VanDerWaalsContact C-N 3.28Å; N1040-L1042 PolarHBondContact O-N 3.35Å; N1040-L1042 PolarHBondContact OD1-N 3.05Å; N1040-K1043 PolarHBondContact O-N 3.37Å; N1040-K1043 WeakPolarHBondContact OD1-CB 3.44Å; N1040-K1043 WeakPolarHBondContact OD1-CG 3.32Å; N1040-K1043 PolarHBondContact OD1-N 3.44Å; N1040-Q1044 WeakPolarHBondContact O-CA 3.48Å; N1040-Q1044 PolarHBondContact O-N 3.13Å; N1040-R1045 PolarHBondContact N-O 2.94Å; N1040-Y1047 HydrophobicContact CB-CD2 3.81Å; N1040-Y1047 HydrophobicContact CB-CE2 3.91Å |
| 1041 | S | 90.4 | Very high | 95.9 | Very high | 61 Ų | 61 | 39.6 Ų | 39.6 | 43% | 0.427 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -29.3 | -171.8 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | K1039 Q1044 | K1039-S1041 PolarHBondContact O-N 3.2Å; S1041-Q1044 PolarHBondContact O-NE2 3.09Å |
| 1042 | L | 90.1 | Very high | 96.6 | Very high | 87 Ų | 87 | 40.9 Ų | 40.9 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -39.5 | -179.3 | -59.4 | 176.2 | 0 | 0 | 0 | 112.6 | Y715 A740 N1040 | Y715-L1042 HydrophobicContact CE2-CD2 3.99Å; A740-L1042 HydrophobicContact CB-CD1 4.02Å; N1040-L1042 VanDerWaalsContact C-N 3.28Å; N1040-L1042 PolarHBondContact O-N 3.35Å; N1040-L1042 PolarHBondContact OD1-N 3.05Å |
| 1043 | K | 93.6 | Very high | 96.9 | Very high | 90 Ų | 90 | 44.9 Ų | 44.9 | 39% | 0.391 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -13 | -179.1 | -63.3 | -175.8 | -172.6 | 177.1 | 0 | 114 | L738 L742 N1040 R1045 Y1047 | L738-K1043 PolarHBondContact O-NZ 2.93Å; L742-K1043 HydrophobicContact CD1-CD 3.91Å; N1040-K1043 PolarHBondContact O-N 3.37Å; N1040-K1043 WeakPolarHBondContact OD1-CB 3.44Å; N1040-K1043 WeakPolarHBondContact OD1-CG 3.32Å; N1040-K1043 PolarHBondContact OD1-N 3.44Å; K1043-R1045 WeakPolarHBondContact O-CG 3.44Å; K1043-R1045 PolarHBondContact O-N 3.38Å; K1043-R1045 VanDerWaalsContact O-N 3.12Å; K1043-Y1047 HydrophobicContact CB-CE2 4.5Å; K1043-Y1047 HydrophobicContact CD-CE2 4.27Å; K1043-Y1047 WeakPolarHBondContact CD-OH 3.5Å |
| 1044 | Q | 94.4 | Very high | 97 | Very high | 120 Ų | 120 | 43 Ų | 43 | 56% | 0.561 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 26.3 | -174.4 | -67.3 | -65.1 | -37.3 | 0 | 0 | 114.5 | N1040 S1041 | N1040-Q1044 WeakPolarHBondContact O-CA 3.48Å; N1040-Q1044 PolarHBondContact O-N 3.13Å; S1041-Q1044 PolarHBondContact O-NE2 3.09Å |
| 1045 | R | 96.4 | Very high | 96.9 | Very high | 138 Ų | 138 | 45.4 Ų | 45.4 | 52% | 0.521 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 153.7 | -179.4 | -70.3 | 165.2 | 81.6 | 154.1 | 0.2 | 110.3 | N1040 K1043 Y1047 E1056 | N1040-R1045 PolarHBondContact N-O 2.94Å; K1043-R1045 WeakPolarHBondContact O-CG 3.44Å; K1043-R1045 PolarHBondContact O-N 3.38Å; K1043-R1045 VanDerWaalsContact O-N 3.12Å; R1045-Y1047 HydrophobicContact CB-CE2 3.91Å; R1045-Y1047 WeakPolarHBondContact O-CD2 3.43Å; R1045-E1056 IonicContact CZ-OE1 3.11Å; R1045-E1056 IonicContact CZ-OE2 3.36Å; R1045-E1056 IonicContact NE-OE1 2.8Å; R1045-E1056 PolarHBondContact NE-OE1 3.48Å; R1045-E1056 IonicContact NE-OE2 2.76Å; R1045-E1056 PolarHBondContact NE-OE2 3.18Å; R1045-E1056 VanDerWaalsContact NE-OE2 3.09Å; R1045-E1056 VanDerWaalsContact NH2-CD 3.33Å; R1045-E1056 IonicContact NH2-OE1 2.67Å; R1045-E1056 PolarHBondContact NH2-OE1 2.99Å; R1045-E1056 IonicContact NH2-OE2 3.26Å; R1045-E1056 PolarHBondContact NH2-OE2 2.65Å |
| 1046 | W | 98.4 | Very high | 96.9 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 5% | 0.045 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 138.2 | -179.9 | -74.6 | 93 | 0 | 0 | 0 | 111.1 | L998 L1019 C1038 K1039 E1056 I1057 V1062 | L998-W1046 HydrophobicContact CD2-CZ2 4.48Å; L998-W1046 HydrophobicContact CG-CZ2 4.48Å; L1019-W1046 HydrophobicContact CB-CH2 4.28Å; L1019-W1046 HydrophobicContact CB-CZ2 4.45Å; L1019-W1046 HydrophobicContact CD2-CH2 3.86Å; L1019-W1046 HydrophobicContact CD2-CZ2 4.29Å; L1019-W1046 HydrophobicContact CG-CH2 3.89Å; L1019-W1046 HydrophobicContact CG-CZ2 4.47Å; L1019-W1046 WeakPolarHBondContact O-CH2 3.42Å; L1019-W1046 WeakPolarHBondContact O-CZ2 3.3Å; C1038-W1046 VanDerWaalsContact C-CE3 3.44Å; C1038-W1046 WeakPolarHBondContact O-CA 3.45Å; K1039-W1046 HydrophobicContact CB-CD2 3.87Å; K1039-W1046 HydrophobicContact CB-CE3 4.05Å; K1039-W1046 HydrophobicContact CB-CG 4.48Å; K1039-W1046 HydrophobicContact CB-CH2 4.03Å; K1039-W1046 HydrophobicContact CB-CZ2 3.88Å; K1039-W1046 HydrophobicContact CB-CZ3 4.13Å; K1039-W1046 HydrophobicContact CD-CZ2 4Å; K1039-W1046 HydrophobicContact CG-CD2 4.36Å; K1039-W1046 HydrophobicContact CG-CZ2 4.33Å; W1046-E1056 WeakPolarHBondContact O-CG 3.38Å; W1046-I1057 HydrophobicContact CB-CG2 3.76Å; W1046-I1057 WeakPolarHBondContact CB-O 3.42Å; W1046-I1057 PolarHBondContact O-N 2.97Å; W1046-V1062 HydrophobicContact CB-CG2 4.04Å; W1046-V1062 HydrophobicContact CD2-CG1 4.36Å; W1046-V1062 HydrophobicContact CD2-CG2 3.56Å; W1046-V1062 HydrophobicContact CE3-CG1 4.09Å; W1046-V1062 HydrophobicContact CE3-CG2 3.81Å; W1046-V1062 HydrophobicContact CG-CG2 3.67Å; W1046-V1062 HydrophobicContact CH2-CG1 4.07Å; W1046-V1062 HydrophobicContact CZ2-CG1 4.3Å; W1046-V1062 HydrophobicContact CZ3-CG1 3.94Å; W1046-V1062 HydrophobicContact CZ3-CG2 4.49Å |
| 1047 | Y | 98.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.1 | 177.7 | -67.7 | -86.7 | 0 | 0 | 0 | 110.6 | L742 Y1037 C1038 N1040 K1043 R1045 F1049 V1054 T1055 E1056 | L742-Y1047 HydrophobicContact CD1-CE2 4.28Å; L742-Y1047 HydrophobicContact CD2-CD1 4.04Å; L742-Y1047 HydrophobicContact CD2-CD2 3.48Å; L742-Y1047 VanDerWaalsContact CD2-CD2 3.48Å; L742-Y1047 HydrophobicContact CD2-CE1 4.49Å; L742-Y1047 HydrophobicContact CD2-CE2 3.95Å; L742-Y1047 HydrophobicContact CD2-CG 3.55Å; Y1037-Y1047 CarbonylContact C-O 3.58Å; Y1037-Y1047 WeakPolarHBondContact CA-O 3.47Å; C1038-Y1047 PolarHBondContact N-O 3.03Å; C1038-Y1047 PolarHBondContact O-N 2.77Å; N1040-Y1047 HydrophobicContact CB-CD2 3.81Å; N1040-Y1047 HydrophobicContact CB-CE2 3.91Å; K1043-Y1047 HydrophobicContact CB-CE2 4.5Å; K1043-Y1047 HydrophobicContact CD-CE2 4.27Å; K1043-Y1047 WeakPolarHBondContact CD-OH 3.5Å; R1045-Y1047 HydrophobicContact CB-CE2 3.91Å; R1045-Y1047 WeakPolarHBondContact O-CD2 3.43Å; Y1047-F1049 WeakPolarHBondContact O-CD2 3.01Å; Y1047-F1049 WeakPolarHBondContact O-CE2 3.45Å; Y1047-V1054 HydrophobicContact CD1-CG1 4.44Å; Y1047-T1055 CarbonylContact C-O 3.57Å; Y1047-T1055 VanDerWaalsContact CA-O 3.27Å; Y1047-T1055 WeakPolarHBondContact CA-O 3.46Å; Y1047-E1056 HydrophobicContact CD1-CB 3.95Å; Y1047-E1056 HydrophobicContact CD1-CG 4.01Å; Y1047-E1056 HydrophobicContact CE1-CB 3.64Å; Y1047-E1056 HydrophobicContact CE1-CG 3.56Å; Y1047-E1056 PolarHBondContact OH-OE2 3.19Å |
| 1048 | K | 98.7 | Very high | 96.8 | Very high | 53 Ų | 53 | 52.6 Ų | 52.6 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 131.1 | 168.2 | 173.5 | -177.6 | -178.5 | -134.4 | 0 | 109 | Y1037 D1050 V1054 T1055 I1057 | Y1037-K1048 HydrophobicContact CD1-CB 3.96Å; Y1037-K1048 HydrophobicContact CD1-CG 4.11Å; Y1037-K1048 HydrophobicContact CE1-CB 3.98Å; Y1037-K1048 HydrophobicContact CE1-CD 4.16Å; Y1037-K1048 HydrophobicContact CE1-CG 3.81Å; K1048-D1050 WeakPolarHBondContact CE-OD2 3.23Å; K1048-D1050 IonicContact NZ-OD2 2.85Å; K1048-D1050 PolarHBondContact NZ-OD2 3.11Å; K1048-V1054 WeakPolarHBondContact O-CA 3.34Å; K1048-T1055 PolarHBondContact N-O 3.11Å; K1048-T1055 PolarHBondContact O-N 3.05Å; K1048-I1057 HydrophobicContact CB-CB 4.46Å; K1048-I1057 HydrophobicContact CB-CG2 4.47Å |
| 1049 | F | 98.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.022 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 106.3 | 172.7 | -60.3 | -101.2 | 0 | 0 | 0 | 107.3 | S741 L742 Q759 T1035 A1036 C1038 Y1047 E1053 V1054 | S741-F1049 WeakPolarHBondContact O-CE1 3.37Å; S741-F1049 VanDerWaalsContact O-CZ 3.28Å; S741-F1049 WeakPolarHBondContact O-CZ 3.45Å; L742-F1049 HydrophobicContact CD2-CZ 4.08Å; Q759-F1049 HydrophobicContact CB-CB 4.42Å; Q759-F1049 HydrophobicContact CB-CG 4.37Å; Q759-F1049 HydrophobicContact CG-CB 3.87Å; Q759-F1049 HydrophobicContact CG-CD1 4.04Å; Q759-F1049 HydrophobicContact CG-CG 4Å; T1035-F1049 WeakPolarHBondContact CB-O 3.38Å; A1036-F1049 HydrophobicContact CB-CB 4.32Å; A1036-F1049 PolarHBondContact N-O 3.32Å; A1036-F1049 PolarHBondContact O-N 3.44Å; C1038-F1049 HydrophobicContact CB-CD2 4.36Å; C1038-F1049 HydrophobicContact CB-CE2 3.77Å; Y1047-F1049 WeakPolarHBondContact O-CD2 3.01Å; Y1047-F1049 WeakPolarHBondContact O-CE2 3.45Å; F1049-E1053 WeakPolarHBondContact CA-O 3.42Å; F1049-V1054 HydrophobicContact CD1-CB 4.45Å; F1049-V1054 HydrophobicContact CD1-CG1 4.06Å; F1049-V1054 HydrophobicContact CD1-CG2 3.66Å; F1049-V1054 HydrophobicContact CE1-CG1 3.79Å; F1049-V1054 HydrophobicContact CE1-CG2 3.91Å; F1049-V1054 HydrophobicContact CZ-CG1 4.13Å |
| 1050 | D | 98.5 | Very high | 96.5 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 19% | 0.193 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 84.7 | 179.4 | -153.3 | -30.7 | 0 | 0 | 0 | 108.2 | H1033 T1035 K1048 H1052 E1053 | H1033-D1050 IonicContact CD2-OD1 3.72Å; H1033-D1050 IonicContact CE1-OD1 3.93Å; H1033-D1050 IonicContact NE2-OD1 3.53Å; H1033-D1050 PolarHBondContact NE2-OD1 3.31Å; T1035-D1050 HydrophobicContact CG2-CB 4.21Å; T1035-D1050 VanDerWaalsContact CG2-CG 3.49Å; T1035-D1050 WeakPolarHBondContact CG2-OD1 3.22Å; K1048-D1050 WeakPolarHBondContact CE-OD2 3.23Å; K1048-D1050 IonicContact NZ-OD2 2.85Å; K1048-D1050 PolarHBondContact NZ-OD2 3.11Å; D1050-H1052 PolarHBondContact O-N 3.3Å; D1050-E1053 HydrophobicContact CB-CB 4.44Å; D1050-E1053 PolarHBondContact N-O 3.42Å; D1050-E1053 PolarHBondContact O-N 3.41Å |
| 1051 | D | 98.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 61.2 Ų | 61.2 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | -103 | -161.5 | -72.5 | -45.2 | 0 | 0 | 0 | 111.9 | G744 L745 N747 C752 N755 H1033 | G744-D1051 CarbonylContact C-O 3.33Å; G744-D1051 WeakPolarHBondContact CA-O 2.76Å; L745-D1051 PolarHBondContact N-O 3.17Å; L745-D1051 CarbonylContact O-C 3.36Å; L745-D1051 WeakPolarHBondContact O-CA 3.43Å; L745-D1051 WeakPolarHBondContact O-CB 3.42Å; L745-D1051 VanDerWaalsContact O-O 3.09Å; N747-D1051 HydrophobicContact CB-CB 4.29Å; N747-D1051 WeakPolarHBondContact CB-OD2 3.43Å; N747-D1051 PolarHBondContact ND2-OD2 3.06Å; C752-D1051 WeakPolarHBondContact CA-OD1 3.41Å; N755-D1051 WeakPolarHBondContact CB-OD1 3.43Å; N755-D1051 PolarHBondContact ND2-OD1 3.37Å; H1033-D1051 IonicContact CE1-OD2 3.71Å; H1033-D1051 PolarHBondContact CE1-OD2 3.24Å |
| 1052 | H | 97.5 | Very high | 96.8 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 43% | 0.431 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -11.5 | -174.2 | 77.7 | -65.1 | 0 | 0 | 0 | 114.3 | L745 R746 C810 D1050 | L745-H1052 PolarHBondContact O-N 3.05Å; R746-H1052 HydrophobicContact CG-CB 4.07Å; C810-H1052 HydrophobicContact CB-CB 4.01Å; D1050-H1052 PolarHBondContact O-N 3.3Å |
| 1053 | E | 97.9 | Very high | 97.1 | Very high | 92 Ų | 92 | 58.4 Ų | 58.4 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 134.6 | 178.9 | -167.2 | -176.1 | 147 | 0 | 0 | 110.3 | F1049 D1050 T1055 | F1049-E1053 WeakPolarHBondContact CA-O 3.42Å; D1050-E1053 HydrophobicContact CB-CB 4.44Å; D1050-E1053 PolarHBondContact N-O 3.42Å; D1050-E1053 PolarHBondContact O-N 3.41Å; E1053-T1055 HydrophobicContact CG-CG2 4.29Å; E1053-T1055 WeakPolarHBondContact OE1-CG2 3.48Å |
| 1054 | V | 98.4 | Very high | 97.2 | Very high | 18 Ų | 18 | 55.5 Ų | 55.5 | 11% | 0.109 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 114.2 | 174.6 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | L742 Y1047 K1048 F1049 | L742-V1054 HydrophobicContact CB-CG1 4.47Å; L742-V1054 HydrophobicContact CD2-CG1 4.42Å; Y1047-V1054 HydrophobicContact CD1-CG1 4.44Å; K1048-V1054 WeakPolarHBondContact O-CA 3.34Å; F1049-V1054 HydrophobicContact CD1-CB 4.45Å; F1049-V1054 HydrophobicContact CD1-CG1 4.06Å; F1049-V1054 HydrophobicContact CD1-CG2 3.66Å; F1049-V1054 HydrophobicContact CE1-CG1 3.79Å; F1049-V1054 HydrophobicContact CE1-CG2 3.91Å; F1049-V1054 HydrophobicContact CZ-CG1 4.13Å |
| 1055 | T | 97.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 154.1 | 179.9 | 36 | 0 | 0 | 0 | 0 | 110.5 | Y1047 K1048 E1053 | Y1047-T1055 CarbonylContact C-O 3.57Å; Y1047-T1055 VanDerWaalsContact CA-O 3.27Å; Y1047-T1055 WeakPolarHBondContact CA-O 3.46Å; K1048-T1055 PolarHBondContact N-O 3.11Å; K1048-T1055 PolarHBondContact O-N 3.05Å; E1053-T1055 HydrophobicContact CG-CG2 4.29Å; E1053-T1055 WeakPolarHBondContact OE1-CG2 3.48Å |
| 1056 | E | 97.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 45.9 Ų | 45.9 | 42% | 0.421 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 146.8 | 173.7 | -157.6 | 179.1 | 118.5 | 0 | 0 | 110.8 | R1045 W1046 Y1047 | R1045-E1056 IonicContact CZ-OE1 3.11Å; R1045-E1056 IonicContact CZ-OE2 3.36Å; R1045-E1056 IonicContact NE-OE1 2.8Å; R1045-E1056 PolarHBondContact NE-OE1 3.48Å; R1045-E1056 IonicContact NE-OE2 2.76Å; R1045-E1056 PolarHBondContact NE-OE2 3.18Å; R1045-E1056 VanDerWaalsContact NE-OE2 3.09Å; R1045-E1056 VanDerWaalsContact NH2-CD 3.33Å; R1045-E1056 IonicContact NH2-OE1 2.67Å; R1045-E1056 PolarHBondContact NH2-OE1 2.99Å; R1045-E1056 IonicContact NH2-OE2 3.26Å; R1045-E1056 PolarHBondContact NH2-OE2 2.65Å; W1046-E1056 WeakPolarHBondContact O-CG 3.38Å; Y1047-E1056 HydrophobicContact CD1-CB 3.95Å; Y1047-E1056 HydrophobicContact CD1-CG 4.01Å; Y1047-E1056 HydrophobicContact CE1-CB 3.64Å; Y1047-E1056 HydrophobicContact CE1-CG 3.56Å; Y1047-E1056 PolarHBondContact OH-OE2 3.19Å |
| 1057 | I | 97.9 | Very high | 97.3 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 143.2 | 179.1 | -170 | 169.6 | 0 | 0 | 0 | 110.7 | Y1037 W1046 K1048 | Y1037-I1057 HydrophobicContact CD1-CD1 4.15Å; Y1037-I1057 HydrophobicContact CD2-CD1 4.4Å; Y1037-I1057 HydrophobicContact CE1-CD1 3.65Å; Y1037-I1057 HydrophobicContact CE2-CD1 3.91Å; Y1037-I1057 HydrophobicContact CG-CD1 4.5Å; W1046-I1057 HydrophobicContact CB-CG2 3.76Å; W1046-I1057 WeakPolarHBondContact CB-O 3.42Å; W1046-I1057 PolarHBondContact O-N 2.97Å; K1048-I1057 HydrophobicContact CB-CB 4.46Å; K1048-I1057 HydrophobicContact CB-CG2 4.47Å |
| 1058 | S | 97.1 | Very high | 97.3 | Very high | 56 Ų | 56 | 44.7 Ų | 44.7 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | trans | -68.6 | 146.8 | 176 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | S1060 S1061 V1062 | S1058-S1060 WeakPolarHBondContact CB-OG 3.49Å; S1058-S1060 PolarHBondContact O-N 3.45Å; S1058-S1060 PolarHBondContact OG-OG 3.16Å; S1058-S1061 PolarHBondContact O-N 3.28Å; S1058-S1061 WeakPolarHBondContact OG-CB 3.43Å; S1058-S1061 PolarHBondContact OG-N 2.98Å; S1058-S1061 PolarHBondContact OG-OG 3.05Å; S1058-V1062 PolarHBondContact O-N 3.42Å | ||
| 1059 | S | 95.3 | Very high | 97.3 | Very high | 73 Ų | 73 | 42.1 Ų | 42.1 | 51% | 0.51 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.4 | -33.9 | 173.8 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | L998 S1061 V1062 | L998-S1059 WeakPolarHBondContact CD2-O 3.44Å; S1059-S1061 VanDerWaalsContact C-N 3.27Å; S1059-S1061 PolarHBondContact O-N 3.41Å; S1059-V1062 PolarHBondContact O-N 3.29Å |
| 1060 | S | 94.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 66% | 0.657 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60 | -32.3 | 173.5 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | S1058 | S1058-S1060 WeakPolarHBondContact CB-OG 3.49Å; S1058-S1060 PolarHBondContact O-N 3.45Å; S1058-S1060 PolarHBondContact OG-OG 3.16Å |
| 1061 | S | 95.6 | Very high | 97.3 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 41% | 0.406 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -88.7 | -9.2 | -177.4 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | S1058 S1059 K1063 | S1058-S1061 PolarHBondContact O-N 3.28Å; S1058-S1061 WeakPolarHBondContact OG-CB 3.43Å; S1058-S1061 PolarHBondContact OG-N 2.98Å; S1058-S1061 PolarHBondContact OG-OG 3.05Å; S1059-S1061 VanDerWaalsContact C-N 3.27Å; S1059-S1061 PolarHBondContact O-N 3.41Å; S1061-K1063 VanDerWaalsContact C-N 3.28Å; S1061-K1063 PolarHBondContact O-N 3.2Å |
| 1062 | V | 96.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.2 | -32.8 | 177 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | L998 L1019 V1022 Y1037 W1046 S1058 S1059 S1064 | L998-V1062 HydrophobicContact CD2-CB 4.25Å; L1019-V1062 HydrophobicContact CD2-CG1 4.17Å; V1022-V1062 HydrophobicContact CG2-CG1 4.14Å; Y1037-V1062 HydrophobicContact CD2-CB 4.36Å; Y1037-V1062 HydrophobicContact CD2-CG1 4.22Å; W1046-V1062 HydrophobicContact CB-CG2 4.04Å; W1046-V1062 HydrophobicContact CD2-CG1 4.36Å; W1046-V1062 HydrophobicContact CD2-CG2 3.56Å; W1046-V1062 HydrophobicContact CE3-CG1 4.09Å; W1046-V1062 HydrophobicContact CE3-CG2 3.81Å; W1046-V1062 HydrophobicContact CG-CG2 3.67Å; W1046-V1062 HydrophobicContact CH2-CG1 4.07Å; W1046-V1062 HydrophobicContact CZ2-CG1 4.3Å; W1046-V1062 HydrophobicContact CZ3-CG1 3.94Å; W1046-V1062 HydrophobicContact CZ3-CG2 4.49Å; S1058-V1062 PolarHBondContact O-N 3.42Å; S1059-V1062 PolarHBondContact O-N 3.29Å; V1062-S1064 PolarHBondContact O-N 3.41Å |
| 1063 | K | 96.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 35.3 Ų | 35.3 | 39% | 0.387 | 21% | 0.21 | S | C | . | . | trans | -85.8 | 106.6 | -179.9 | -170.4 | -174.2 | -56.1 | -163 | 0 | 110.5 | D995 F996 L998 S1061 | D995-K1063 WeakPolarHBondContact OD1-CD 3.44Å; D995-K1063 WeakPolarHBondContact OD1-CE 3.3Å; D995-K1063 IonicContact OD1-NZ 3.09Å; D995-K1063 PolarHBondContact OD1-NZ 3.02Å; F996-K1063 HydrophobicContact CD1-CG 4.47Å; F996-K1063 HydrophobicContact CE1-CG 4.12Å; F996-K1063 HydrophobicContact CZ-CB 4.33Å; F996-K1063 HydrophobicContact CZ-CG 4.17Å; F996-K1063 WeakPolarHBondContact O-CE 3.18Å; F996-K1063 PolarHBondContact O-NZ 3.18Å; L998-K1063 HydrophobicContact CD1-CB 4.41Å; S1061-K1063 VanDerWaalsContact C-N 3.28Å; S1061-K1063 PolarHBondContact O-N 3.2Å | ||
| 1064 | S | 95.8 | Very high | 97.1 | Very high | 28 Ų | 28 | 32 Ų | 32 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | trans | -142 | 166.7 | -180 | 76.6 | 0 | 0 | 0 | 0 | 112.2 | V1062 A1066 A1067 | V1062-S1064 PolarHBondContact O-N 3.41Å; S1064-A1066 PolarHBondContact O-N 3.47Å; S1064-A1066 PolarHBondContact OG-N 3.49Å; S1064-A1067 WeakPolarHBondContact O-CB 3.46Å; S1064-A1067 PolarHBondContact O-N 3.28Å | ||
| 1065 | S | 96.1 | Very high | 96.6 | Very high | 51 Ų | 51 | 36.3 Ų | 36.3 | 36% | 0.357 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.3 | 168.7 | 45.7 | 0 | 0 | 0 | 0 | 113.7 | R979 Q991 A1067 | R979-S1065 PolarHBondContact NE-O 3.02Å; R979-S1065 PolarHBondContact NH1-O 3.48Å; R979-S1065 PolarHBondContact NH2-O 3.04Å; Q991-S1065 WeakPolarHBondContact O-CB 3.34Å; S1065-A1067 VanDerWaalsContact C-N 3.34Å |
| 1066 | A | 97.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 5% | 0.05 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -21.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1024 H1025 Y1026 S1064 Y1068 | N1024-A1066 CarbonylContact C-O 3.56Å; N1024-A1066 VanDerWaalsContact CA-O 3.3Å; N1024-A1066 WeakPolarHBondContact CA-O 3.38Å; N1024-A1066 HydrophobicContact CB-CB 4.13Å; H1025-A1066 PolarHBondContact N-O 2.84Å; Y1026-A1066 HydrophobicContact CD1-CB 3.92Å; Y1026-A1066 HydrophobicContact CE1-CB 3.4Å; Y1026-A1066 VanDerWaalsContact CE1-CB 3.4Å; Y1026-A1066 HydrophobicContact CE2-CB 4.06Å; Y1026-A1066 HydrophobicContact CG-CB 4.45Å; Y1026-A1066 VanDerWaalsContact CZ-CB 3.47Å; S1064-A1066 PolarHBondContact O-N 3.47Å; S1064-A1066 PolarHBondContact OG-N 3.49Å; A1066-Y1068 PolarHBondContact O-N 3.43Å |
| 1067 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 125.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R979 F996 V1022 S1064 S1065 L1070 | R979-A1067 VanDerWaalsContact CZ-O 3.28Å; R979-A1067 PolarHBondContact NE-O 3.16Å; R979-A1067 PolarHBondContact NH2-O 2.6Å; F996-A1067 HydrophobicContact CE1-CB 3.55Å; F996-A1067 HydrophobicContact CZ-CB 3.71Å; V1022-A1067 HydrophobicContact CG1-CB 3.68Å; S1064-A1067 WeakPolarHBondContact O-CB 3.46Å; S1064-A1067 PolarHBondContact O-N 3.28Å; S1065-A1067 VanDerWaalsContact C-N 3.34Å; A1067-L1070 HydrophobicContact CB-CD2 4.12Å |
| 1068 | Y | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | -43.4 | -168.7 | 179.6 | -125.1 | 0 | 0 | 0 | 112.8 | D834 S835 Q836 H976 L977 R979 F980 S1023 H1025 Y1034 A1066 | D834-Y1068 WeakPolarHBondContact OD1-CE1 3.27Å; D834-Y1068 PolarHBondContact OD1-OH 3.27Å; D834-Y1068 PolarHBondContact OD2-OH 2.97Å; S835-Y1068 WeakPolarHBondContact OG-CD1 3.47Å; S835-Y1068 WeakPolarHBondContact OG-CE1 3.47Å; Q836-Y1068 HydrophobicContact CB-CE1 4.38Å; H976-Y1068 AromaticContact CD2-CE2 3.42Å; H976-Y1068 VanDerWaalsContact CD2-CE2 3.42Å; H976-Y1068 WeakPolarHBondContact CD2-CE2 3.49Å; H976-Y1068 AromaticContact CD2-CZ 3.48Å; H976-Y1068 VanDerWaalsContact CD2-CZ 3.48Å; H976-Y1068 PolarHBondContact CD2-OH 3.47Å; H976-Y1068 AromaticContact NE2-CE2 3.23Å; H976-Y1068 WeakPolarHBondContact NE2-CE2 3.4Å; H976-Y1068 AromaticContact NE2-CZ 3.3Å; H976-Y1068 VanDerWaalsContact NE2-CZ 3.3Å; H976-Y1068 PolarHBondContact NE2-OH 3Å; L977-Y1068 PolarHBondContact N-O 3.33Å; L977-Y1068 WeakPolarHBondContact O-CD2 3.39Å; L977-Y1068 VanDerWaalsContact O-CE2 3.26Å; L977-Y1068 WeakPolarHBondContact O-CE2 3.31Å; R979-Y1068 HydrophobicContact CB-CD2 4.16Å; R979-Y1068 HydrophobicContact CB-CE2 4.18Å; R979-Y1068 HydrophobicContact CG-CD2 4.05Å; R979-Y1068 HydrophobicContact CG-CE2 4.48Å; F980-Y1068 HydrophobicContact CD2-CE2 4.12Å; F980-Y1068 AromaticContact CD2-CZ 3.92Å; F980-Y1068 HydrophobicContact CE2-CE1 4.14Å; F980-Y1068 HydrophobicContact CE2-CE2 4.02Å; F980-Y1068 AromaticContact CE2-CZ 3.65Å; S1023-Y1068 PolarHBondContact O-N 3.15Å; H1025-Y1068 HydrophobicContact CB-CG 4.43Å; Y1034-Y1068 AromaticContact CE1-CD1 3.96Å; Y1034-Y1068 HydrophobicContact CE1-CD1 3.96Å; Y1034-Y1068 HydrophobicContact CE1-CE1 4.24Å; A1066-Y1068 PolarHBondContact O-N 3.43Å |
| 1069 | I | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.2 | 170.9 | -48.6 | 178.1 | 0 | 0 | 0 | 109 | I757 Q836 L839 V975 H976 V1022 S1023 F1071 | I757-I1069 HydrophobicContact CD1-CD1 3.99Å; Q836-I1069 HydrophobicContact CB-CD1 4.04Å; L839-I1069 HydrophobicContact CD2-CD1 3.9Å; L839-I1069 HydrophobicContact CD2-CG2 4.01Å; V975-I1069 CarbonylContact O-C 3.56Å; V975-I1069 WeakPolarHBondContact O-CA 3.29Å; H976-I1069 HydrophobicContact CB-CG1 4.43Å; V1022-I1069 CarbonylContact C-O 3.45Å; V1022-I1069 WeakPolarHBondContact CA-O 3.41Å; S1023-I1069 PolarHBondContact N-O 3.41Å; S1023-I1069 PolarHBondContact O-N 3.3Å; S1023-I1069 VanDerWaalsContact O-N 3.12Å; I1069-F1071 HydrophobicContact CB-CE2 3.98Å; I1069-F1071 HydrophobicContact CG2-CD2 4.2Å; I1069-F1071 HydrophobicContact CG2-CE2 3.59Å; I1069-F1071 HydrophobicContact CG2-CZ 4.11Å |
| 1070 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.1 | 179.6 | -49 | 176.2 | 0 | 0 | 0 | 110.1 | L930 V975 F996 L1019 V1022 A1067 Y1072 | L930-L1070 HydrophobicContact CD2-CD1 4.31Å; V975-L1070 HydrophobicContact CB-CB 4.21Å; V975-L1070 PolarHBondContact N-O 3.03Å; V975-L1070 PolarHBondContact O-N 3.43Å; F996-L1070 HydrophobicContact CB-CD1 3.82Å; F996-L1070 HydrophobicContact CD1-CD1 4.06Å; F996-L1070 HydrophobicContact CD1-CD2 4.13Å; F996-L1070 HydrophobicContact CD2-CD1 4.15Å; F996-L1070 HydrophobicContact CD2-CD2 4.02Å; F996-L1070 HydrophobicContact CE1-CD2 3.97Å; F996-L1070 HydrophobicContact CE2-CD2 3.85Å; F996-L1070 HydrophobicContact CG-CD1 3.76Å; F996-L1070 HydrophobicContact CG-CD2 4.16Å; F996-L1070 HydrophobicContact CZ-CD2 3.81Å; L1019-L1070 HydrophobicContact CD1-CB 3.84Å; L1019-L1070 HydrophobicContact CD1-CD2 4.4Å; V1022-L1070 HydrophobicContact CG1-CD2 4.06Å; V1022-L1070 HydrophobicContact CG2-CD2 3.96Å; A1067-L1070 HydrophobicContact CB-CD2 4.12Å; L1070-Y1072 HydrophobicContact CB-CD2 4.05Å; L1070-Y1072 HydrophobicContact CB-CE2 3.68Å; L1070-Y1072 HydrophobicContact CD1-CE2 3.93Å; L1070-Y1072 HydrophobicContact CG-CE2 4.44Å |
| 1071 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.4 | -178.7 | -66.5 | -115 | 0 | 0 | 0 | 109.6 | I757 C760 L761 L839 L974 Y1020 A1021 I1069 | I757-F1071 HydrophobicContact CD1-CZ 4.43Å; C760-F1071 HydrophobicContact CB-CD1 3.84Å; C760-F1071 HydrophobicContact CB-CD2 3.78Å; C760-F1071 HydrophobicContact CB-CE1 3.52Å; C760-F1071 HydrophobicContact CB-CE2 3.46Å; C760-F1071 VanDerWaalsContact CB-CE2 3.46Å; C760-F1071 HydrophobicContact CB-CG 4Å; C760-F1071 HydrophobicContact CB-CZ 3.34Å; L761-F1071 HydrophobicContact CD2-CE1 4.08Å; L761-F1071 HydrophobicContact CG-CE1 4.38Å; L839-F1071 HydrophobicContact CD1-CZ 4.46Å; L839-F1071 HydrophobicContact CD2-CZ 4.23Å; L974-F1071 HydrophobicContact CD2-CB 4.31Å; L974-F1071 HydrophobicContact CD2-CD1 3.15Å; L974-F1071 HydrophobicContact CD2-CE1 3.43Å; L974-F1071 VanDerWaalsContact CD2-CE1 3.43Å; L974-F1071 HydrophobicContact CD2-CG 3.76Å; L974-F1071 HydrophobicContact CD2-CZ 4.24Å; Y1020-F1071 HydrophobicContact CD1-CB 4.37Å; Y1020-F1071 VanDerWaalsContact CD1-O 3.26Å; Y1020-F1071 WeakPolarHBondContact CD1-O 3.4Å; Y1020-F1071 HydrophobicContact CE1-CB 3.83Å; Y1020-F1071 HydrophobicContact CE2-CB 3.99Å; Y1020-F1071 PolarHBondContact N-O 3.47Å; A1021-F1071 HydrophobicContact CB-CB 3.89Å; A1021-F1071 HydrophobicContact CB-CD2 4.3Å; A1021-F1071 HydrophobicContact CB-CG 4.12Å; A1021-F1071 PolarHBondContact N-O 2.61Å; A1021-F1071 WeakPolarHBondContact O-CB 3.42Å; A1021-F1071 PolarHBondContact O-N 2.98Å; I1069-F1071 HydrophobicContact CB-CE2 3.98Å; I1069-F1071 HydrophobicContact CG2-CD2 4.2Å; I1069-F1071 HydrophobicContact CG2-CE2 3.59Å; I1069-F1071 HydrophobicContact CG2-CZ 4.11Å |
| 1072 | Y | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.3 | -170.3 | -84.3 | -75.6 | 0 | 0 | 0 | 111.9 | L930 I972 V973 V975 P997 L1001 N1018 L1019 L1070 | L930-Y1072 HydrophobicContact CD2-CE2 4.2Å; I972-Y1072 CarbonylContact C-O 3.51Å; I972-Y1072 VanDerWaalsContact CA-O 3.28Å; I972-Y1072 WeakPolarHBondContact CA-O 3.47Å; V973-Y1072 PolarHBondContact N-O 3.07Å; V973-Y1072 WeakPolarHBondContact O-CB 3.46Å; V973-Y1072 PolarHBondContact O-N 3.11Å; V975-Y1072 HydrophobicContact CG2-CD2 4.13Å; V975-Y1072 HydrophobicContact CG2-CE2 4.45Å; P997-Y1072 WeakPolarHBondContact O-CE1 3.42Å; P997-Y1072 PolarHBondContact O-OH 3.47Å; L1001-Y1072 HydrophobicContact CB-CD1 4.3Å; L1001-Y1072 HydrophobicContact CB-CE1 3.95Å; L1001-Y1072 HydrophobicContact CD2-CD1 3.9Å; L1001-Y1072 HydrophobicContact CD2-CD2 4.01Å; L1001-Y1072 HydrophobicContact CD2-CE1 3.7Å; L1001-Y1072 HydrophobicContact CD2-CE2 3.78Å; L1001-Y1072 HydrophobicContact CD2-CG 4.06Å; L1001-Y1072 HydrophobicContact CG-CE1 4.47Å; N1018-Y1072 CarbonylContact O-C 3.47Å; N1018-Y1072 WeakPolarHBondContact O-CA 3.45Å; L1019-Y1072 HydrophobicContact CB-CD1 4.06Å; L1019-Y1072 HydrophobicContact CB-CE1 3.69Å; L1019-Y1072 HydrophobicContact CD1-CD1 4.15Å; L1019-Y1072 HydrophobicContact CD1-CD2 3.98Å; L1019-Y1072 HydrophobicContact CD1-CE1 3.82Å; L1019-Y1072 HydrophobicContact CD1-CE2 3.65Å; L1019-Y1072 HydrophobicContact CD1-CG 4.21Å; L1019-Y1072 HydrophobicContact CG-CE1 4.35Å; L1070-Y1072 HydrophobicContact CB-CD2 4.05Å; L1070-Y1072 HydrophobicContact CB-CE2 3.68Å; L1070-Y1072 HydrophobicContact CD1-CE2 3.93Å; L1070-Y1072 HydrophobicContact CG-CE2 4.44Å |
| 1073 | S | 96.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 5% | 0.049 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.3 | -179.2 | -173.9 | 0 | 0 | 0 | 0 | 113 | I972 Y1017 N1018 L1075 | I972-S1073 WeakPolarHBondContact CD1-OG 3.39Å; Y1017-S1073 CarbonylContact C-O 3.57Å; Y1017-S1073 VanDerWaalsContact CA-O 3.3Å; Y1017-S1073 WeakPolarHBondContact CA-O 3.39Å; N1018-S1073 PolarHBondContact N-O 3.32Å; N1018-S1073 PolarHBondContact O-N 3.17Å; S1073-L1075 WeakPolarHBondContact OG-CA 3.5Å; S1073-L1075 WeakPolarHBondContact OG-CB 3.47Å; S1073-L1075 PolarHBondContact OG-N 3.01Å; S1073-L1075 PolarHBondContact OG-O 3.4Å |
| 1074 | T | 94.7 | Very high | 96.7 | Very high | 23 Ų | 23 | 18.7 Ų | 18.7 | 14% | 0.141 | 11% | 0.113 | C | C | . | . | trans | -106.6 | 4.5 | 162.2 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | P971 R1015 Y1017 | P971-T1074 WeakPolarHBondContact CA-OG1 3.41Å; P971-T1074 PolarHBondContact O-N 2.58Å; P971-T1074 PolarHBondContact O-OG1 3.28Å; R1015-T1074 HydrophobicContact CB-CG2 3.61Å; R1015-T1074 PolarHBondContact NH1-O 3.12Å; Y1017-T1074 HydrophobicContact CD1-CG2 3.55Å; Y1017-T1074 HydrophobicContact CD2-CG2 3.71Å; Y1017-T1074 HydrophobicContact CE1-CG2 3.45Å; Y1017-T1074 VanDerWaalsContact CE1-CG2 3.45Å; Y1017-T1074 HydrophobicContact CE2-CG2 3.61Å; Y1017-T1074 HydrophobicContact CG-CG2 3.64Å; Y1017-T1074 VanDerWaalsContact CZ-CG2 3.47Å | ||
| 1075 | L | 89.3 | Confident | 96.8 | Very high | 108 Ų | 108 | 17.8 Ų | 17.8 | 57% | 0.565 | 11% | 0.106 | S | C | * | . | trans | -101.8 | 0 | 177.4 | -53.4 | 177.6 | 0 | 0 | 0 | 110.2 | P765 R766 L891 P971 I972 S1073 | P765-L1075 HydrophobicContact CB-CB 4.37Å; R766-L1075 HydrophobicContact CG-CD1 3.91Å; L891-L1075 HydrophobicContact CD2-CD1 3.8Å; P971-L1075 HydrophobicContact CB-CD1 4.03Å; P971-L1075 HydrophobicContact CB-CD2 4.18Å; P971-L1075 HydrophobicContact CB-CG 4.03Å; I972-L1075 HydrophobicContact CD1-CD1 4.05Å; I972-L1075 HydrophobicContact CD1-CG 4.46Å; I972-L1075 HydrophobicContact CG1-CD1 4.37Å; S1073-L1075 WeakPolarHBondContact OG-CA 3.5Å; S1073-L1075 WeakPolarHBondContact OG-CB 3.47Å; S1073-L1075 PolarHBondContact OG-N 3.01Å; S1073-L1075 PolarHBondContact OG-O 3.4Å |
Retrieved 1,075 of 1,075 residues in 716.3 ms
(Link to these results)