| 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 | G | 69.4 | Low | 87.6 | Confident | 132 Ų | 132 | 92.5 Ų | 92.5 | 100% | 1.361 | 67% | 0.667 | S | S | * | * | 0 | 150.7 | 0 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 2 | C | 85 | Confident | 87.6 | Confident | 78 Ų | 78 | 95.1 Ų | 95.1 | 53% | 0.527 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 149.4 | 174.6 | -66.1 | 0 | 0 | 0 | 0 | 110.9 | C27 | C2-C27 HydrophobicContact CB-CB 3.63Å; C2-C27 WeakPolarHBondContact CB-SG 3.45Å; C2-C27 WeakPolarHBondContact SG-CA 3.27Å; C2-C27 WeakPolarHBondContact SG-CB 3.38Å; C2-C27 CovalentContact SG-SG 2.04Å; C2-C27 PolarHBondContact SG-SG 2.92Å |
| 3 | A | 87.3 | Confident | 87.5 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 69% | 0.694 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 162.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | C5 | A3-C5 PolarHBondContact O-N 2.85Š|
| 4 | P | 90.8 | Very high | 87.4 | Confident | 128 Ų | 128 | 91.7 Ų | 91.7 | 83% | 0.831 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 137.1 | 169.9 | -24.4 | 34.5 | 0 | 0 | 0 | 111.2 | D6 | P4-D6 PolarHBondContact O-N 3.34Š|
| 5 | C | 91.6 | Very high | 87 | Confident | 73 Ų | 73 | 93.5 Ų | 93.5 | 49% | 0.493 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 122 | -178.2 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | A3 C29 | A3-C5 PolarHBondContact O-N 2.85Å; C5-C29 WeakPolarHBondContact CA-SG 3.35Å; C5-C29 HydrophobicContact CB-CB 3.64Å; C5-C29 WeakPolarHBondContact CB-SG 3.39Å; C5-C29 WeakPolarHBondContact SG-CA 3.41Å; C5-C29 WeakPolarHBondContact SG-CB 3.32Å; C5-C29 CovalentContact SG-SG 2.04Å; C5-C29 PolarHBondContact SG-SG 3.04Å |
| 6 | D | 92.8 | Very high | 86.6 | Confident | 79 Ų | 79 | 93.1 Ų | 93.1 | 42% | 0.422 | 67% | 0.668 | S | S | . | * | trans | -114.3 | 102.3 | 169.3 | -175.3 | -6.7 | 0 | 0 | 0 | 109.7 | P4 A8 L9 | P4-D6 PolarHBondContact O-N 3.34Å; D6-A8 PolarHBondContact O-N 3.06Å; D6-A8 WeakPolarHBondContact OD1-CB 3.31Å; D6-A8 PolarHBondContact OD1-N 3.43Å; D6-L9 HydrophobicContact CB-CD1 4.01Å; D6-L9 HydrophobicContact CB-CG 4.17Å; D6-L9 PolarHBondContact O-N 3.13Å | ||
| 7 | P | 87.4 | Confident | 86.1 | Confident | 96 Ų | 96 | 88.9 Ų | 88.9 | 62% | 0.623 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -61 | -23.3 | -179.5 | -24.5 | 34.9 | 0 | 0 | 0 | 114.5 | L9 C10 | P7-L9 PolarHBondContact O-N 2.8Å; P7-C10 WeakPolarHBondContact O-CB 3.23Å; P7-C10 PolarHBondContact O-N 2.99Å |
| 8 | A | 89.4 | Confident | 86 | Confident | 90 Ų | 90 | 84.2 Ų | 84.2 | 74% | 0.744 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -71.3 | -21.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | D6 C10 | D6-A8 PolarHBondContact O-N 3.06Å; D6-A8 WeakPolarHBondContact OD1-CB 3.31Å; D6-A8 PolarHBondContact OD1-N 3.43Å; A8-C10 VanDerWaalsContact C-N 3.33Å |
| 9 | L | 90.1 | Very high | 85.4 | Confident | 143 Ų | 143 | 85.2 Ų | 85.2 | 75% | 0.749 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -87.9 | -1.8 | 177.8 | -59.8 | 179.2 | 0 | 0 | 0 | 113 | D6 P7 | D6-L9 HydrophobicContact CB-CD1 4.01Å; D6-L9 HydrophobicContact CB-CG 4.17Å; D6-L9 PolarHBondContact O-N 3.13Å; P7-L9 PolarHBondContact O-N 2.8Å |
| 10 | C | 90.6 | Very high | 84.9 | Confident | 35 Ų | 35 | 82.8 Ų | 82.8 | 24% | 0.236 | 60% | 0.595 | C | S | . | * | S | Bend | trans | -76.4 | 135 | -178.6 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | P7 A8 C30 | P7-C10 WeakPolarHBondContact O-CB 3.23Å; P7-C10 PolarHBondContact O-N 2.99Å; A8-C10 VanDerWaalsContact C-N 3.33Å; C10-C30 WeakPolarHBondContact CA-SG 3.49Å; C10-C30 HydrophobicContact CB-CB 3.67Å; C10-C30 WeakPolarHBondContact CB-SG 3.38Å; C10-C30 WeakPolarHBondContact SG-CA 3.43Å; C10-C30 WeakPolarHBondContact SG-CB 3.35Å; C10-C30 CovalentContact SG-SG 2.04Å; C10-C30 PolarHBondContact SG-SG 2.94Å |
| 11 | A | 89.1 | Confident | 84.6 | Confident | 80 Ų | 80 | 79.4 Ų | 79.4 | 66% | 0.661 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 139.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 12 | P | 87.6 | Confident | 85.3 | Confident | 123 Ų | 123 | 76.5 Ų | 76.5 | 80% | 0.799 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 145.3 | 176.7 | 28.3 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 13 | L | 86.6 | Confident | 85.2 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 37% | 0.366 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 153.8 | 172.1 | -69.5 | 179.6 | 0 | 0 | 0 | 110.8 | A15 A31 | L13-A15 PolarHBondContact O-N 2.84Å; L13-A31 HydrophobicContact CD1-CB 4.14Å; L13-A31 HydrophobicContact CD2-CB 4.49Å; L13-A31 VanDerWaalsContact CD2-O 3.32Å; L13-A31 WeakPolarHBondContact CD2-O 3.27Å; L13-A31 HydrophobicContact CG-CB 4.4Å |
| 14 | P | 86.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 78.2 Ų | 78.2 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 139.7 | 176.6 | -24.6 | 33.6 | 0 | 0 | 0 | 111.9 | A16 G17 C33 | P14-A16 PolarHBondContact O-N 3.02Å; P14-A16 VanDerWaalsContact O-N 3.15Å; P14-G17 WeakPolarHBondContact O-CA 3.15Å; P14-G17 PolarHBondContact O-N 2.88Å; P14-C33 VanDerWaalsContact CD-SG 3.57Å |
| 15 | A | 81.5 | Confident | 84.7 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 98% | 0.975 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -28 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L13 G17 | L13-A15 PolarHBondContact O-N 2.84Å; A15-G17 PolarHBondContact O-N 2.8Å |
| 16 | A | 79.6 | Confident | 84.2 | Confident | 88 Ų | 88 | 75.8 Ų | 75.8 | 73% | 0.727 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -7.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | P14 R93 | P14-A16 PolarHBondContact O-N 3.02Å; P14-A16 VanDerWaalsContact O-N 3.15Å; A16-R93 PolarHBondContact O-NH1 3.22Å |
| 17 | G | 79.6 | Confident | 83.9 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 23% | 0.227 | 50% | 0.498 | C | S | . | . | trans | 72.1 | 171.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P14 A15 P19 | P14-G17 WeakPolarHBondContact O-CA 3.15Å; P14-G17 PolarHBondContact O-N 2.88Å; A15-G17 PolarHBondContact O-N 2.8Å; G17-P19 WeakPolarHBondContact O-CD 3.37Å | ||
| 18 | C | 83.2 | Confident | 83.8 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 3% | 0.027 | 49% | 0.492 | C | S | . | . | trans | -92.6 | 110.7 | -176.7 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | A20 G21 C33 R93 | C18-A20 VanDerWaalsContact C-N 3.28Å; C18-A20 PolarHBondContact O-N 3.1Å; C18-G21 WeakPolarHBondContact CB-O 3.23Å; C18-G21 PolarHBondContact O-N 2.69Å; C18-C33 VanDerWaalsContact CA-SG 3.56Å; C18-C33 HydrophobicContact CB-CB 3.62Å; C18-C33 WeakPolarHBondContact CB-SG 3.4Å; C18-C33 WeakPolarHBondContact SG-CA 3.42Å; C18-C33 WeakPolarHBondContact SG-CB 3.43Å; C18-C33 CovalentContact SG-SG 2.04Å; C18-C33 PolarHBondContact SG-SG 3.29Å; C18-R93 VanDerWaalsContact C-NH2 3.32Å; C18-R93 VanDerWaalsContact N-NH2 3.19Å; C18-R93 PolarHBondContact O-NH2 3.36Å | ||
| 19 | P | 74.7 | Confident | 83.8 | Confident | 102 Ų | 102 | 69.2 Ų | 69.2 | 66% | 0.662 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.7 | -173.4 | -24.9 | 35.6 | 0 | 0 | 0 | 114.6 | G17 M89 | G17-P19 WeakPolarHBondContact O-CD 3.37Å; P19-M89 WeakPolarHBondContact O-CE 3.36Å |
| 20 | A | 76 | Confident | 83.8 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 31% | 0.306 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 8.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | C18 A34 A36 | C18-A20 VanDerWaalsContact C-N 3.28Å; C18-A20 PolarHBondContact O-N 3.1Å; A20-A34 HydrophobicContact CB-CB 4.02Å; A20-A34 WeakPolarHBondContact O-CB 3.28Å; A20-A36 HydrophobicContact CB-CB 4.39Å |
| 21 | G | 78.8 | Confident | 83.7 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 13% | 0.134 | 44% | 0.435 | C | S | . | . | trans | 89.7 | 177 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C18 A34 | C18-G21 WeakPolarHBondContact CB-O 3.23Å; C18-G21 PolarHBondContact O-N 2.69Å; G21-A34 VanDerWaalsContact O-CB 3.3Å; G21-A34 WeakPolarHBondContact O-CB 2.92Å; G21-A34 PolarHBondContact O-N 3.3Å | ||
| 22 | S | 82.9 | Confident | 83.6 | Confident | 71 Ų | 71 | 62.5 Ų | 62.5 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146.9 | 174.9 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | V32 | S22-V32 CarbonylContact C-O 3.59Å; S22-V32 VanDerWaalsContact CA-O 3.23Å; S22-V32 WeakPolarHBondContact CA-O 3.37Å; S22-V32 WeakPolarHBondContact CB-O 3.4Å |
| 23 | L | 82.4 | Confident | 83.4 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 169.9 | 178.4 | -67.8 | 158.2 | 0 | 0 | 0 | 108.2 | A31 V32 A34 P44 | L23-A31 CarbonylContact O-C 3.5Å; L23-A31 WeakPolarHBondContact O-CA 3.44Å; L23-V32 PolarHBondContact N-O 3.02Å; L23-V32 PolarHBondContact O-N 2.78Å; L23-A34 HydrophobicContact CD1-CB 3.28Å; L23-A34 HydrophobicContact CG-CB 3.94Å; L23-P44 WeakPolarHBondContact CB-O 3.28Å; L23-P44 WeakPolarHBondContact CD1-O 3.42Å; L23-P44 WeakPolarHBondContact CD2-O 3.33Å; L23-P44 WeakPolarHBondContact CG-O 3.33Å |
| 24 | R | 85.9 | Confident | 83 | Confident | 145 Ų | 145 | 56.5 Ų | 56.5 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 157.3 | 170.3 | -65.9 | -68.7 | 179.2 | 173.9 | -3.1 | 109.8 | C29 C30 P44 | R24-C29 PolarHBondContact NH1-O 2.8Å; R24-C30 CarbonylContact C-O 3.55Å; R24-C30 VanDerWaalsContact CA-O 3.25Å; R24-C30 WeakPolarHBondContact CA-O 3.43Å; R24-P44 WeakPolarHBondContact O-CD 3.15Å; R24-P44 WeakPolarHBondContact O-CG 3.22Å |
| 25 | D | 82.8 | Confident | 82.7 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 20% | 0.203 | 38% | 0.376 | C | S | . | . | trans | -63.3 | 176.9 | 168.5 | 64.7 | 27.7 | 0 | 0 | 0 | 111.8 | C27 G28 C29 C30 V32 | D25-C27 PolarHBondContact O-N 2.82Å; D25-C27 VanDerWaalsContact O-N 3.14Å; D25-C27 VanDerWaalsContact OD1-C 3.26Å; D25-C27 WeakPolarHBondContact OD1-CA 3.49Å; D25-C27 WeakPolarHBondContact OD1-CB 3.5Å; D25-C27 PolarHBondContact OD1-N 2.93Å; D25-G28 PolarHBondContact O-N 3.47Å; D25-G28 PolarHBondContact OD1-N 3.5Å; D25-C29 PolarHBondContact OD1-N 2.83Å; D25-C30 PolarHBondContact N-O 3.48Å; D25-C30 VanDerWaalsContact OD2-CB 3.29Å; D25-C30 WeakPolarHBondContact OD2-CB 3.48Å; D25-C30 PolarHBondContact OD2-N 2.91Å; D25-V32 HydrophobicContact CB-CG1 4.45Å | ||
| 26 | S | 81.9 | Confident | 82.5 | Confident | 112 Ų | 112 | 50.4 Ų | 50.4 | 78% | 0.783 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.3 | 179.4 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 27 | C | 86.5 | Confident | 82.3 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -0.6 | 175.6 | -69.3 | 0 | 0 | 0 | 0 | 112.8 | C2 D25 C29 | C2-C27 HydrophobicContact CB-CB 3.63Å; C2-C27 WeakPolarHBondContact CB-SG 3.45Å; C2-C27 WeakPolarHBondContact SG-CA 3.27Å; C2-C27 WeakPolarHBondContact SG-CB 3.38Å; C2-C27 CovalentContact SG-SG 2.04Å; C2-C27 PolarHBondContact SG-SG 2.92Å; D25-C27 PolarHBondContact O-N 2.82Å; D25-C27 VanDerWaalsContact O-N 3.14Å; D25-C27 VanDerWaalsContact OD1-C 3.26Å; D25-C27 WeakPolarHBondContact OD1-CA 3.49Å; D25-C27 WeakPolarHBondContact OD1-CB 3.5Å; D25-C27 PolarHBondContact OD1-N 2.93Å; C27-C29 VanDerWaalsContact C-N 3.27Å; C27-C29 PolarHBondContact O-N 2.86Å |
| 28 | G | 85.2 | Confident | 82.2 | Confident | 48 Ų | 48 | 52 Ų | 52 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 75.5 | 9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D25 | D25-G28 PolarHBondContact O-N 3.47Å; D25-G28 PolarHBondContact OD1-N 3.5Å |
| 29 | C | 89.4 | Confident | 82 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 10% | 0.095 | 37% | 0.366 | C | S | . | . | trans | -94.1 | -71.2 | -169.6 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | C5 R24 D25 C27 | C5-C29 WeakPolarHBondContact CA-SG 3.35Å; C5-C29 HydrophobicContact CB-CB 3.64Å; C5-C29 WeakPolarHBondContact CB-SG 3.39Å; C5-C29 WeakPolarHBondContact SG-CA 3.41Å; C5-C29 WeakPolarHBondContact SG-CB 3.32Å; C5-C29 CovalentContact SG-SG 2.04Å; C5-C29 PolarHBondContact SG-SG 3.04Å; R24-C29 PolarHBondContact NH1-O 2.8Å; D25-C29 PolarHBondContact OD1-N 2.83Å; C27-C29 VanDerWaalsContact C-N 3.27Å; C27-C29 PolarHBondContact O-N 2.86Å | ||
| 30 | C | 89.4 | Confident | 82 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -83.9 | 147.4 | -172.4 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | C10 R24 D25 | C10-C30 WeakPolarHBondContact CA-SG 3.49Å; C10-C30 HydrophobicContact CB-CB 3.67Å; C10-C30 WeakPolarHBondContact CB-SG 3.38Å; C10-C30 WeakPolarHBondContact SG-CA 3.43Å; C10-C30 WeakPolarHBondContact SG-CB 3.35Å; C10-C30 CovalentContact SG-SG 2.04Å; C10-C30 PolarHBondContact SG-SG 2.94Å; R24-C30 CarbonylContact C-O 3.55Å; R24-C30 VanDerWaalsContact CA-O 3.25Å; R24-C30 WeakPolarHBondContact CA-O 3.43Å; D25-C30 PolarHBondContact N-O 3.48Å; D25-C30 VanDerWaalsContact OD2-CB 3.29Å; D25-C30 WeakPolarHBondContact OD2-CB 3.48Å; D25-C30 PolarHBondContact OD2-N 2.91Å |
| 31 | A | 88 | Confident | 81.6 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 28% | 0.281 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | L13 L23 | L13-A31 HydrophobicContact CD1-CB 4.14Å; L13-A31 HydrophobicContact CD2-CB 4.49Å; L13-A31 VanDerWaalsContact CD2-O 3.32Å; L13-A31 WeakPolarHBondContact CD2-O 3.27Å; L13-A31 HydrophobicContact CG-CB 4.4Å; L23-A31 CarbonylContact O-C 3.5Å; L23-A31 WeakPolarHBondContact O-CA 3.44Å |
| 32 | V | 87.2 | Confident | 80.6 | Confident | 59 Ų | 59 | 60 Ų | 60 | 36% | 0.358 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.1 | 178.3 | -62.8 | 0 | 0 | 0 | 0 | 109.7 | S22 L23 D25 A34 | S22-V32 CarbonylContact C-O 3.59Å; S22-V32 VanDerWaalsContact CA-O 3.23Å; S22-V32 WeakPolarHBondContact CA-O 3.37Å; S22-V32 WeakPolarHBondContact CB-O 3.4Å; L23-V32 PolarHBondContact N-O 3.02Å; L23-V32 PolarHBondContact O-N 2.78Å; D25-V32 HydrophobicContact CB-CG1 4.45Å; V32-A34 PolarHBondContact O-N 2.7Å |
| 33 | C | 84.1 | Confident | 79.5 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 36% | 0.358 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 136.6 | 173.9 | -68.5 | 0 | 0 | 0 | 0 | 110.6 | P14 C18 | P14-C33 VanDerWaalsContact CD-SG 3.57Å; C18-C33 VanDerWaalsContact CA-SG 3.56Å; C18-C33 HydrophobicContact CB-CB 3.62Å; C18-C33 WeakPolarHBondContact CB-SG 3.4Å; C18-C33 WeakPolarHBondContact SG-CA 3.42Å; C18-C33 WeakPolarHBondContact SG-CB 3.43Å; C18-C33 CovalentContact SG-SG 2.04Å; C18-C33 PolarHBondContact SG-SG 3.29Å |
| 34 | A | 78.8 | Confident | 78 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 12% | 0.116 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 144.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A20 G21 L23 V32 | A20-A34 HydrophobicContact CB-CB 4.02Å; A20-A34 WeakPolarHBondContact O-CB 3.28Å; G21-A34 VanDerWaalsContact O-CB 3.3Å; G21-A34 WeakPolarHBondContact O-CB 2.92Å; G21-A34 PolarHBondContact O-N 3.3Å; L23-A34 HydrophobicContact CD1-CB 3.28Å; L23-A34 HydrophobicContact CG-CB 3.94Å; V32-A34 PolarHBondContact O-N 2.7Å |
| 35 | A | 79.8 | Confident | 76.6 | Confident | 27 Ų | 27 | 55.3 Ų | 55.3 | 22% | 0.223 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 142.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E39 L46 | A35-E39 VanDerWaalsContact CA-OE2 3.31Å; A35-E39 WeakPolarHBondContact CA-OE2 2.99Å; A35-E39 HydrophobicContact CB-CB 4.13Å; A35-L46 WeakPolarHBondContact O-CD1 3.43Å |
| 36 | A | 75.5 | Confident | 75.5 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 164.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A20 G38 E39 C62 | A20-A36 HydrophobicContact CB-CB 4.39Å; A36-G38 PolarHBondContact O-N 2.91Å; A36-E39 HydrophobicContact CB-CG 4.06Å; A36-E39 PolarHBondContact N-OE2 2.75Å; A36-E39 WeakPolarHBondContact O-CB 3.39Å; A36-E39 PolarHBondContact O-N 3.12Å; A36-C62 VanDerWaalsContact O-CB 3.3Å; A36-C62 WeakPolarHBondContact O-CB 3.47Å |
| 37 | E | 76.8 | Confident | 74.9 | Confident | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 127.6 | 172.3 | -176.3 | 170.1 | -153.6 | 0 | 0 | 110.4 | C62 C64 | E37-C62 WeakPolarHBondContact CA-O 3.5Å; E37-C64 VanDerWaalsContact OE1-CB 3.24Å; E37-C64 WeakPolarHBondContact OE1-CB 2.97Å; E37-C64 PolarHBondContact OE1-N 2.98Å |
| 38 | G | 76.4 | Confident | 74.3 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 56% | 0.557 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -10.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A36 C62 | A36-G38 PolarHBondContact O-N 2.91Å; G38-C62 PolarHBondContact N-O 2.88Å |
| 39 | E | 79.5 | Confident | 73.8 | Confident | 103 Ų | 103 | 57 Ų | 57 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -81.7 | 160.8 | 174.6 | -65.9 | -176.2 | 167 | 0 | 0 | 112.1 | A35 A36 C41 V61 C62 | A35-E39 VanDerWaalsContact CA-OE2 3.31Å; A35-E39 WeakPolarHBondContact CA-OE2 2.99Å; A35-E39 HydrophobicContact CB-CB 4.13Å; A36-E39 HydrophobicContact CB-CG 4.06Å; A36-E39 PolarHBondContact N-OE2 2.75Å; A36-E39 WeakPolarHBondContact O-CB 3.39Å; A36-E39 PolarHBondContact O-N 3.12Å; E39-C41 PolarHBondContact O-N 3.47Å; E39-V61 CarbonylContact O-C 3.58Å; E39-V61 VanDerWaalsContact O-CA 3.28Å; E39-V61 WeakPolarHBondContact O-CA 3.33Å; E39-C62 PolarHBondContact O-N 2.98Å |
| 40 | L | 74.3 | Confident | 72.9 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 64% | 0.639 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 124.1 | 177.7 | -67.6 | 172.9 | 0 | 0 | 0 | 110.7 | T59 G60 | L40-T59 HydrophobicContact CD2-CG2 4Å; L40-G60 WeakPolarHBondContact CA-O 3.48Å |
| 41 | C | 69.1 | Low | 71.5 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 9% | 0.088 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 137.1 | 178.4 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | E39 C48 G60 V61 C62 | E39-C41 PolarHBondContact O-N 3.47Å; C41-C48 HydrophobicContact CB-CB 3.68Å; C41-C48 WeakPolarHBondContact CB-SG 3.4Å; C41-C48 WeakPolarHBondContact SG-CA 3.32Å; C41-C48 WeakPolarHBondContact SG-CB 3.18Å; C41-C48 CovalentContact SG-SG 2.01Å; C41-C48 PolarHBondContact SG-SG 2.86Å; C41-G60 PolarHBondContact N-O 3.34Å; C41-G60 WeakPolarHBondContact SG-CA 3.41Å; C41-G60 PolarHBondContact SG-O 2.64Å; C41-V61 VanDerWaalsContact SG-CA 3.59Å; C41-V61 PolarHBondContact SG-N 2.92Å; C41-V61 PolarHBondContact SG-O 2.91Å; C41-V61 VanDerWaalsContact SG-O 3.34Å; C41-C62 HydrophobicContact CB-CB 4.46Å; C41-C62 WeakPolarHBondContact CB-SG 3.41Å |
| 42 | G | 57.2 | Low | 70.1 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 89% | 0.887 | 46% | 0.457 | S | S | * | . | trans | -170.8 | 5.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 43 | G | 58.9 | Low | 68.6 | Low | 57 Ų | 57 | 74.8 Ų | 74.8 | 59% | 0.588 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -126.8 | 168.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 44 | P | 51.5 | Low | 67.2 | Low | 63 Ų | 63 | 78.1 Ų | 78.1 | 41% | 0.409 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -76.1 | 129.6 | -171.8 | 30.7 | -34.4 | 0 | 0 | 0 | 111.8 | L23 R24 | L23-P44 WeakPolarHBondContact CB-O 3.28Å; L23-P44 WeakPolarHBondContact CD1-O 3.42Å; L23-P44 WeakPolarHBondContact CD2-O 3.33Å; L23-P44 WeakPolarHBondContact CG-O 3.33Å; R24-P44 WeakPolarHBondContact O-CD 3.15Å; R24-P44 WeakPolarHBondContact O-CG 3.22Å |
| 45 | G | 57.5 | Low | 66.1 | Low | 50 Ų | 50 | 87.8 Ų | 87.8 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | S | Bend | trans | 133.3 | 6.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 46 | L | 59.4 | Low | 64.9 | Low | 70 Ų | 70 | 97.3 Ų | 97.3 | 37% | 0.366 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -140.5 | 160.2 | 166.2 | -76.3 | 172.8 | 0 | 0 | 0 | 110.1 | A35 C48 C62 | A35-L46 WeakPolarHBondContact O-CD1 3.43Å; L46-C48 PolarHBondContact O-N 2.93Å; L46-C62 HydrophobicContact CB-CB 4.39Å; L46-C62 HydrophobicContact CD1-CB 3.82Å; L46-C62 VanDerWaalsContact CD1-SG 3.53Å |
| 47 | E | 67.9 | Low | 64 | Low | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.542 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.4 | 175.1 | -168.9 | 166.6 | -175 | 0 | 0 | 109.2 | V49 A63 | E47-V49 PolarHBondContact O-N 3.38Å; E47-A63 PolarHBondContact O-N 2.89Å |
| 48 | C | 74.3 | Confident | 63 | Low | 57 Ų | 57 | 103.1 Ų | 103.1 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 99.9 | -178 | -169.6 | 0 | 0 | 0 | 0 | 108.6 | C41 L46 | C41-C48 HydrophobicContact CB-CB 3.68Å; C41-C48 WeakPolarHBondContact CB-SG 3.4Å; C41-C48 WeakPolarHBondContact SG-CA 3.32Å; C41-C48 WeakPolarHBondContact SG-CB 3.18Å; C41-C48 CovalentContact SG-SG 2.01Å; C41-C48 PolarHBondContact SG-SG 2.86Å; L46-C48 PolarHBondContact O-N 2.93Å |
| 49 | V | 75.8 | Confident | 62.3 | Low | 55 Ų | 55 | 104.4 Ų | 104.4 | 33% | 0.333 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 132.7 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 109.5 | E47 G60 V61 A63 | E47-V49 PolarHBondContact O-N 3.38Å; V49-G60 CarbonylContact O-C 3.53Å; V49-G60 VanDerWaalsContact O-CA 3.3Å; V49-G60 WeakPolarHBondContact O-CA 3.32Å; V49-V61 HydrophobicContact CG2-CG2 3.79Å; V49-V61 WeakPolarHBondContact CG2-O 3.39Å; V49-V61 PolarHBondContact N-O 2.87Å; V49-V61 PolarHBondContact O-N 2.82Å; V49-A63 HydrophobicContact CB-CB 4.3Å; V49-A63 HydrophobicContact CG1-CB 3.78Å; V49-A63 HydrophobicContact CG2-CB 3.5Å |
| 50 | R | 70 | Confident | 62 | Low | 167 Ų | 167 | 99.7 Ų | 99.7 | 63% | 0.63 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 126.2 | 172.2 | -70.8 | -178.7 | 145 | 93.3 | 3.5 | 108.1 | G52 S57 | R50-G52 PolarHBondContact O-N 2.91Å; R50-S57 PolarHBondContact NE-O 2.82Å |
| 51 | S | 59.1 | Low | 62.3 | Low | 100 Ų | 100 | 96.2 Ų | 96.2 | 70% | 0.699 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.9 | 165.4 | -65 | 0 | 0 | 0 | 0 | 108.7 | ||
| 52 | G | 60.2 | Low | 62.7 | Low | 69 Ų | 69 | 96 Ų | 96 | 71% | 0.711 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 141.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109 | R50 | R50-G52 PolarHBondContact O-N 2.91Š|
| 53 | D | 55.1 | Low | 63.9 | Low | 168 Ų | 168 | 93.2 Ų | 93.2 | 90% | 0.898 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -132.4 | 13.8 | 40.2 | -92.2 | -43.6 | 0 | 0 | 0 | 115 | K55 | D53-K55 PolarHBondContact O-N 2.03Š|
| 54 | D | 54.7 | Low | 65 | Low | 123 Ų | 123 | 90.9 Ų | 90.9 | 66% | 0.658 | 49% | 0.493 | S | S | * | . | trans | -99 | 94.5 | -178.4 | -115.7 | -35.4 | 0 | 0 | 0 | 111.6 | R56 S57 | D54-R56 PolarHBondContact O-N 2.85Å; D54-S57 PolarHBondContact O-N 2.78Å | ||
| 55 | K | 55.9 | Low | 66.4 | Low | 218 Ų | 218 | 96 Ų | 96 | 95% | 0.948 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 2.5 | 172.6 | -78.1 | 179.8 | 178.4 | 175 | 0 | 114.3 | D53 | D53-K55 PolarHBondContact O-N 2.03Š|
| 56 | R | 54.9 | Low | 67.7 | Low | 226 Ų | 226 | 95.3 Ų | 95.3 | 85% | 0.853 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -8.5 | 177 | -72.1 | 179.3 | 176 | 173.1 | -0.1 | 114.6 | D54 K58 | D54-R56 PolarHBondContact O-N 2.85Å; R56-K58 PolarHBondContact O-N 2.86Å |
| 57 | S | 55.4 | Low | 68.8 | Low | 52 Ų | 52 | 98.2 Ų | 98.2 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | trans | -75.8 | 116.7 | 177.6 | -174 | 0 | 0 | 0 | 0 | 111.7 | R50 D54 T59 | R50-S57 PolarHBondContact NE-O 2.82Å; D54-S57 PolarHBondContact O-N 2.78Å; S57-T59 PolarHBondContact O-N 3.22Å; S57-T59 PolarHBondContact OG-N 2.77Å; S57-T59 PolarHBondContact OG-O 2.82Å; S57-T59 PolarHBondContact OG-OG1 2.54Å | ||
| 58 | K | 56.8 | Low | 69.9 | Low | 196 Ų | 196 | 97.3 Ų | 97.3 | 85% | 0.852 | 50% | 0.502 | S | S | * | . | trans | -78.4 | -6.2 | 173 | -68.6 | -173.4 | -178.7 | 179.9 | 0 | 112.9 | R56 | R56-K58 PolarHBondContact O-N 2.86Š| ||
| 59 | T | 60.7 | Low | 71 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | trans | -107.7 | 123.1 | -174.4 | 18.2 | 0 | 0 | 0 | 0 | 110.4 | L40 S57 | L40-T59 HydrophobicContact CD2-CG2 4Å; S57-T59 PolarHBondContact O-N 3.22Å; S57-T59 PolarHBondContact OG-N 2.77Å; S57-T59 PolarHBondContact OG-O 2.82Å; S57-T59 PolarHBondContact OG-OG1 2.54Å | ||
| 60 | G | 72.5 | Confident | 71.9 | Confident | 3 Ų | 3 | 96.2 Ų | 96.2 | 3% | 0.031 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 176.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | L40 C41 V49 | L40-G60 WeakPolarHBondContact CA-O 3.48Å; C41-G60 PolarHBondContact N-O 3.34Å; C41-G60 WeakPolarHBondContact SG-CA 3.41Å; C41-G60 PolarHBondContact SG-O 2.64Å; V49-G60 CarbonylContact O-C 3.53Å; V49-G60 VanDerWaalsContact O-CA 3.3Å; V49-G60 WeakPolarHBondContact O-CA 3.32Å |
| 61 | V | 81.1 | Confident | 73.2 | Confident | 50 Ų | 50 | 88.3 Ų | 88.3 | 30% | 0.303 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 147.3 | 168 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | E39 C41 V49 A63 | E39-V61 CarbonylContact O-C 3.58Å; E39-V61 VanDerWaalsContact O-CA 3.28Å; E39-V61 WeakPolarHBondContact O-CA 3.33Å; C41-V61 VanDerWaalsContact SG-CA 3.59Å; C41-V61 PolarHBondContact SG-N 2.92Å; C41-V61 PolarHBondContact SG-O 2.91Å; C41-V61 VanDerWaalsContact SG-O 3.34Å; V49-V61 HydrophobicContact CG2-CG2 3.79Å; V49-V61 WeakPolarHBondContact CG2-O 3.39Å; V49-V61 PolarHBondContact N-O 2.87Å; V49-V61 PolarHBondContact O-N 2.82Å; V61-A63 PolarHBondContact O-N 2.83Å |
| 62 | C | 78.4 | Confident | 75 | Confident | 7 Ų | 7 | 83.6 Ų | 83.6 | 5% | 0.047 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 122.7 | 172.2 | -83.4 | 0 | 0 | 0 | 0 | 110.1 | A36 E37 G38 E39 C41 L46 | A36-C62 VanDerWaalsContact O-CB 3.3Å; A36-C62 WeakPolarHBondContact O-CB 3.47Å; E37-C62 WeakPolarHBondContact CA-O 3.5Å; G38-C62 PolarHBondContact N-O 2.88Å; E39-C62 PolarHBondContact O-N 2.98Å; C41-C62 HydrophobicContact CB-CB 4.46Å; C41-C62 WeakPolarHBondContact CB-SG 3.41Å; L46-C62 HydrophobicContact CB-CB 4.39Å; L46-C62 HydrophobicContact CD1-CB 3.82Å; L46-C62 VanDerWaalsContact CD1-SG 3.53Å |
| 63 | A | 81.6 | Confident | 76.8 | Confident | 29 Ų | 29 | 83.1 Ų | 83.1 | 24% | 0.24 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 148.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E47 V49 V61 K65 | E47-A63 PolarHBondContact O-N 2.89Å; V49-A63 HydrophobicContact CB-CB 4.3Å; V49-A63 HydrophobicContact CG1-CB 3.78Å; V49-A63 HydrophobicContact CG2-CB 3.5Å; V61-A63 PolarHBondContact O-N 2.83Å; A63-K65 PolarHBondContact O-N 2.88Å |
| 64 | C | 82.1 | Confident | 78.7 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 5% | 0.054 | 39% | 0.385 | C | S | . | . | trans | -72.3 | 121.7 | 175 | -169 | 0 | 0 | 0 | 0 | 111.3 | E37 T66 C82 | E37-C64 VanDerWaalsContact OE1-CB 3.24Å; E37-C64 WeakPolarHBondContact OE1-CB 2.97Å; E37-C64 PolarHBondContact OE1-N 2.98Å; C64-T66 PolarHBondContact O-N 3.35Å; C64-T66 PolarHBondContact SG-N 3.08Å; C64-T66 PolarHBondContact SG-O 3.5Å; C64-T66 VanDerWaalsContact SG-O 3.39Å; C64-C82 WeakPolarHBondContact CA-SG 3.31Å; C64-C82 HydrophobicContact CB-CB 3.8Å; C64-C82 WeakPolarHBondContact CB-SG 3.22Å; C64-C82 WeakPolarHBondContact SG-CB 3.36Å; C64-C82 PolarHBondContact SG-N 2.82Å; C64-C82 CovalentContact SG-SG 2.03Å; C64-C82 PolarHBondContact SG-SG 2.64Å | ||
| 65 | K | 81.5 | Confident | 80.5 | Confident | 170 Ų | 170 | 74.8 Ų | 74.8 | 74% | 0.739 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -59.5 | -31.7 | 172.3 | -173.6 | 172.9 | -176.8 | 173 | 0 | 112.9 | A63 N67 | A63-K65 PolarHBondContact O-N 2.88Å; K65-N67 PolarHBondContact O-N 2.78Å |
| 66 | T | 83.6 | Confident | 82.5 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | trans | -100.7 | 68.4 | 176.9 | -49.8 | 0 | 0 | 0 | 0 | 109.3 | C64 Y68 V70 S80 G81 | C64-T66 PolarHBondContact O-N 3.35Å; C64-T66 PolarHBondContact SG-N 3.08Å; C64-T66 PolarHBondContact SG-O 3.5Å; C64-T66 VanDerWaalsContact SG-O 3.39Å; T66-Y68 HydrophobicContact CG2-CD1 4.07Å; T66-Y68 HydrophobicContact CG2-CD2 4.3Å; T66-Y68 HydrophobicContact CG2-CE1 3.6Å; T66-Y68 HydrophobicContact CG2-CE2 3.83Å; T66-Y68 HydrophobicContact CG2-CG 4.41Å; T66-Y68 VanDerWaalsContact CG2-CZ 3.47Å; T66-Y68 PolarHBondContact O-N 3.3Å; T66-V70 HydrophobicContact CG2-CG1 3.99Å; T66-S80 WeakPolarHBondContact O-CA 3.37Å; T66-S80 WeakPolarHBondContact O-CB 3.3Å; T66-G81 PolarHBondContact O-N 3.41Å | ||
| 67 | N | 83.5 | Confident | 84.5 | Confident | 130 Ų | 130 | 59 Ų | 59 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | trans | -77.7 | 13.1 | -177 | 67 | -13.9 | 0 | 0 | 0 | 114.7 | K65 | K65-N67 PolarHBondContact O-N 2.78Š| ||
| 68 | Y | 90.7 | Very high | 86.4 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 38% | 0.384 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -112.9 | 158.3 | 176.3 | 58.6 | -91 | 0 | 0 | 0 | 110.9 | T66 V70 R79 S80 K104 | T66-Y68 HydrophobicContact CG2-CD1 4.07Å; T66-Y68 HydrophobicContact CG2-CD2 4.3Å; T66-Y68 HydrophobicContact CG2-CE1 3.6Å; T66-Y68 HydrophobicContact CG2-CE2 3.83Å; T66-Y68 HydrophobicContact CG2-CG 4.41Å; T66-Y68 VanDerWaalsContact CG2-CZ 3.47Å; T66-Y68 PolarHBondContact O-N 3.3Å; Y68-V70 HydrophobicContact CD2-CG1 4.17Å; Y68-V70 HydrophobicContact CE2-CG1 3.88Å; Y68-R79 CarbonylContact C-O 3.43Å; Y68-S80 WeakPolarHBondContact O-CA 3.42Å; Y68-K104 HydrophobicContact CE2-CB 3.97Å; Y68-K104 HydrophobicContact CE2-CD 3.99Å; Y68-K104 HydrophobicContact CE2-CG 3.82Å; Y68-K104 WeakPolarHBondContact OH-CE 3.15Å |
| 69 | Q | 96.4 | Very high | 88.2 | Confident | 88 Ų | 88 | 56.8 Ų | 56.8 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | trans | -61.1 | 144.8 | 179.1 | -70.6 | 175.8 | 90.4 | 0 | 0 | 112.1 | T77 Y78 G105 | Q69-T77 HydrophobicContact CB-CG2 4.24Å; Q69-T77 HydrophobicContact CG-CG2 4.47Å; Q69-Y78 CarbonylContact C-O 3.6Å; Q69-Y78 WeakPolarHBondContact CA-O 3.45Å; Q69-G105 CarbonylContact C-O 3.44Å; Q69-G105 VanDerWaalsContact O-CA 3.23Å; Q69-G105 WeakPolarHBondContact O-CA 3.11Å; Q69-G105 PolarHBondContact O-N 2.92Å | ||
| 70 | V | 96.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 147 | 175.9 | -64.3 | 0 | 0 | 0 | 0 | 111 | T66 Y68 Y78 L84 V101 G105 | T66-V70 HydrophobicContact CG2-CG1 3.99Å; Y68-V70 HydrophobicContact CD2-CG1 4.17Å; Y68-V70 HydrophobicContact CE2-CG1 3.88Å; V70-Y78 PolarHBondContact N-O 3.28Å; V70-Y78 PolarHBondContact O-N 3.06Å; V70-L84 HydrophobicContact CG2-CB 4.03Å; V70-L84 HydrophobicContact CG2-CD1 3.66Å; V70-V101 HydrophobicContact CB-CG1 4.2Å; V70-V101 HydrophobicContact CB-CG2 4.36Å; V70-V101 HydrophobicContact CG1-CG1 4.37Å; V70-V101 HydrophobicContact CG2-CG2 4.36Å; V70-G105 CarbonylContact C-O 3.52Å; V70-G105 WeakPolarHBondContact CA-O 3.35Å; V70-G105 PolarHBondContact N-O 3.37Å |
| 71 | C | 97.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.3 | 171.7 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | V101 Q102 N103 G105 C107 | C71-V101 CarbonylContact O-C 3.44Å; C71-V101 WeakPolarHBondContact O-CA 3.02Å; C71-Q102 PolarHBondContact O-N 3.34Å; C71-N103 WeakPolarHBondContact CB-OD1 3.35Å; C71-N103 PolarHBondContact N-O 3.19Å; C71-G105 PolarHBondContact N-O 3.37Å; C71-C107 WeakPolarHBondContact CA-SG 3.31Å; C71-C107 HydrophobicContact CB-CB 3.98Å; C71-C107 WeakPolarHBondContact CB-SG 3.23Å; C71-C107 WeakPolarHBondContact SG-CA 3.38Å; C71-C107 WeakPolarHBondContact SG-CB 3.02Å; C71-C107 CovalentContact SG-SG 2.04Å; C71-C107 PolarHBondContact SG-SG 3.36Å |
| 72 | G | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 156.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D74 G75 T76 S100 | G72-D74 WeakPolarHBondContact CA-OD1 3.02Å; G72-D74 PolarHBondContact O-N 3.03Å; G72-D74 VanDerWaalsContact O-N 3.11Å; G72-G75 PolarHBondContact O-N 2.79Å; G72-T76 PolarHBondContact N-O 3.18Å; G72-S100 CarbonylContact C-O 3.57Å; G72-S100 VanDerWaalsContact CA-O 3.29Å; G72-S100 WeakPolarHBondContact CA-O 3.49Å |
| 73 | S | 96.4 | Very high | 91.5 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.5 | 171.7 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | G75 S100 | S73-G75 VanDerWaalsContact C-N 3.29Å; S73-S100 PolarHBondContact N-O 3.47Å; S73-S100 PolarHBondContact OG-N 3.45Å; S73-S100 PolarHBondContact OG-OG 2.87Å |
| 74 | D | 94.6 | Very high | 92.1 | Very high | 68 Ų | 68 | 52.7 Ų | 52.7 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2.7 | 171.9 | 66.7 | -22.4 | 0 | 0 | 0 | 113.2 | G72 T76 Y78 I99 | G72-D74 WeakPolarHBondContact CA-OD1 3.02Å; G72-D74 PolarHBondContact O-N 3.03Å; G72-D74 VanDerWaalsContact O-N 3.11Å; D74-T76 PolarHBondContact O-N 3.29Å; D74-T76 WeakPolarHBondContact OD1-CB 3.49Å; D74-T76 PolarHBondContact OD1-N 3.48Å; D74-T76 VanDerWaalsContact OD1-N 3.08Å; D74-T76 VanDerWaalsContact OD2-CB 3.29Å; D74-T76 WeakPolarHBondContact OD2-CB 3.34Å; D74-T76 PolarHBondContact OD2-OG1 3Å; D74-Y78 WeakPolarHBondContact OD1-CE2 3.03Å; D74-Y78 PolarHBondContact OD2-OH 3.34Å; D74-I99 HydrophobicContact CB-CG1 4.47Å; D74-I99 HydrophobicContact CB-CG2 4.32Å |
| 75 | G | 94.4 | Very high | 92.5 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 51% | 0.505 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 75.8 | 5.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G72 S73 C107 | G72-G75 PolarHBondContact O-N 2.79Å; S73-G75 VanDerWaalsContact C-N 3.29Å; G75-C107 PolarHBondContact O-SG 3.39Å |
| 76 | T | 96.3 | Very high | 92.9 | Very high | 64 Ų | 64 | 53 Ų | 53 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 134.4 | 179.8 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | G72 D74 Y78 C107 | G72-T76 PolarHBondContact N-O 3.18Å; D74-T76 PolarHBondContact O-N 3.29Å; D74-T76 WeakPolarHBondContact OD1-CB 3.49Å; D74-T76 PolarHBondContact OD1-N 3.48Å; D74-T76 VanDerWaalsContact OD1-N 3.08Å; D74-T76 VanDerWaalsContact OD2-CB 3.29Å; D74-T76 WeakPolarHBondContact OD2-CB 3.34Å; D74-T76 PolarHBondContact OD2-OG1 3Å; T76-Y78 HydrophobicContact CG2-CD2 4.42Å; T76-Y78 HydrophobicContact CG2-CE1 4.46Å; T76-Y78 HydrophobicContact CG2-CE2 3.97Å; T76-Y78 VanDerWaalsContact O-CD2 3.23Å; T76-Y78 WeakPolarHBondContact O-CD2 2.92Å; T76-Y78 WeakPolarHBondContact O-CE2 3.43Å; T76-C107 PolarHBondContact O-SG 3.02Å; T76-C107 VanDerWaalsContact O-SG 3.41Å |
| 77 | T | 96.6 | Very high | 93.3 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121 | 170.1 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | Q69 R106 C107 | Q69-T77 HydrophobicContact CB-CG2 4.24Å; Q69-T77 HydrophobicContact CG-CG2 4.47Å; T77-R106 HydrophobicContact CG2-CB 4Å; T77-R106 HydrophobicContact CG2-CG 3.98Å; T77-C107 PolarHBondContact OG1-N 3.37Å |
| 78 | Y | 95.7 | Very high | 93.8 | Very high | 27 Ų | 27 | 47 Ų | 47 | 11% | 0.106 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140 | 176.4 | -65.8 | -91.1 | 0 | 0 | 0 | 110.7 | Q69 V70 D74 T76 S80 V83 L84 A87 I99 | Q69-Y78 CarbonylContact C-O 3.6Å; Q69-Y78 WeakPolarHBondContact CA-O 3.45Å; V70-Y78 PolarHBondContact N-O 3.28Å; V70-Y78 PolarHBondContact O-N 3.06Å; D74-Y78 WeakPolarHBondContact OD1-CE2 3.03Å; D74-Y78 PolarHBondContact OD2-OH 3.34Å; T76-Y78 HydrophobicContact CG2-CD2 4.42Å; T76-Y78 HydrophobicContact CG2-CE1 4.46Å; T76-Y78 HydrophobicContact CG2-CE2 3.97Å; T76-Y78 VanDerWaalsContact O-CD2 3.23Å; T76-Y78 WeakPolarHBondContact O-CD2 2.92Å; T76-Y78 WeakPolarHBondContact O-CE2 3.43Å; Y78-S80 PolarHBondContact O-N 3.26Å; Y78-V83 HydrophobicContact CD1-CG1 4.07Å; Y78-L84 HydrophobicContact CD1-CB 4.11Å; Y78-L84 HydrophobicContact CD2-CB 3.93Å; Y78-L84 HydrophobicContact CD2-CD1 3.72Å; Y78-L84 HydrophobicContact CD2-CG 3.9Å; Y78-L84 HydrophobicContact CE2-CD1 4.18Å; Y78-L84 HydrophobicContact CE2-CG 4.15Å; Y78-L84 HydrophobicContact CG-CB 3.7Å; Y78-L84 HydrophobicContact CG-CD1 4.32Å; Y78-L84 HydrophobicContact CG-CG 4.21Å; Y78-A87 HydrophobicContact CD1-CB 4.4Å; Y78-A87 HydrophobicContact CE1-CB 3.49Å; Y78-A87 VanDerWaalsContact CE1-CB 3.49Å; Y78-I99 HydrophobicContact CE2-CG2 4.11Å; Y78-I99 WeakPolarHBondContact OH-CD1 3.45Å |
| 79 | R | 94.5 | Very high | 93.7 | Very high | 176 Ų | 176 | 44.6 Ų | 44.6 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -62.4 | -26.1 | -179.3 | 67.1 | -178.4 | 179.6 | 123.8 | 7.5 | 114.3 | Y68 V83 | Y68-R79 CarbonylContact C-O 3.43Å; R79-V83 HydrophobicContact CG-CB 4.26Å; R79-V83 HydrophobicContact CG-CG1 4.44Å; R79-V83 HydrophobicContact CG-CG2 3.78Å |
| 80 | S | 92.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -154 | 159.1 | 178.6 | 78.6 | 0 | 0 | 0 | 0 | 110.1 | T66 Y68 Y78 C82 V83 L84 | T66-S80 WeakPolarHBondContact O-CA 3.37Å; T66-S80 WeakPolarHBondContact O-CB 3.3Å; Y68-S80 WeakPolarHBondContact O-CA 3.42Å; Y78-S80 PolarHBondContact O-N 3.26Å; S80-C82 PolarHBondContact O-N 2.96Å; S80-C82 PolarHBondContact OG-N 2.01Å; S80-V83 PolarHBondContact O-N 3.34Å; S80-V83 VanDerWaalsContact OG-CG2 3.31Å; S80-V83 WeakPolarHBondContact OG-CG2 3.1Å; S80-V83 PolarHBondContact OG-N 2.61Å; S80-L84 PolarHBondContact O-N 2.8Å |
| 81 | G | 90.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 44 Ų | 44 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -24.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T66 K85 | T66-G81 PolarHBondContact O-N 3.41Å; G81-K85 WeakPolarHBondContact O-CG 3.32Å; G81-K85 PolarHBondContact O-N 2.92Å; G81-K85 VanDerWaalsContact O-N 3.08Å |
| 82 | C | 88.3 | Confident | 92.8 | Very high | 34 Ų | 34 | 49 Ų | 49 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.7 | -36.5 | 177.5 | -57 | 0 | 0 | 0 | 0 | 111.8 | C64 S80 L84 K85 S86 | C64-C82 WeakPolarHBondContact CA-SG 3.31Å; C64-C82 HydrophobicContact CB-CB 3.8Å; C64-C82 WeakPolarHBondContact CB-SG 3.22Å; C64-C82 WeakPolarHBondContact SG-CB 3.36Å; C64-C82 PolarHBondContact SG-N 2.82Å; C64-C82 CovalentContact SG-SG 2.03Å; C64-C82 PolarHBondContact SG-SG 2.64Å; S80-C82 PolarHBondContact O-N 2.96Å; S80-C82 PolarHBondContact OG-N 2.01Å; C82-L84 VanDerWaalsContact C-N 3.35Å; C82-K85 PolarHBondContact O-N 3.47Å; C82-S86 PolarHBondContact O-N 3.33Å; C82-S86 PolarHBondContact O-OG 3.18Å |
| 83 | V | 91.3 | Very high | 92.3 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 21% | 0.212 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.3 | -36 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | Y78 R79 S80 S86 A87 | Y78-V83 HydrophobicContact CD1-CG1 4.07Å; R79-V83 HydrophobicContact CG-CB 4.26Å; R79-V83 HydrophobicContact CG-CG1 4.44Å; R79-V83 HydrophobicContact CG-CG2 3.78Å; S80-V83 PolarHBondContact O-N 3.34Å; S80-V83 VanDerWaalsContact OG-CG2 3.31Å; S80-V83 WeakPolarHBondContact OG-CG2 3.1Å; S80-V83 PolarHBondContact OG-N 2.61Å; V83-S86 WeakPolarHBondContact CA-OG 3.22Å; V83-S86 PolarHBondContact O-OG 2.6Å; V83-A87 WeakPolarHBondContact O-CB 2.97Å; V83-A87 PolarHBondContact O-N 2.8Å |
| 84 | L | 93.8 | Very high | 92 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 170.7 | -176.6 | 155.8 | 0 | 0 | 0 | 111.2 | V70 Y78 S80 C82 S86 A87 S88 I99 V101 | V70-L84 HydrophobicContact CG2-CB 4.03Å; V70-L84 HydrophobicContact CG2-CD1 3.66Å; Y78-L84 HydrophobicContact CD1-CB 4.11Å; Y78-L84 HydrophobicContact CD2-CB 3.93Å; Y78-L84 HydrophobicContact CD2-CD1 3.72Å; Y78-L84 HydrophobicContact CD2-CG 3.9Å; Y78-L84 HydrophobicContact CE2-CD1 4.18Å; Y78-L84 HydrophobicContact CE2-CG 4.15Å; Y78-L84 HydrophobicContact CG-CB 3.7Å; Y78-L84 HydrophobicContact CG-CD1 4.32Å; Y78-L84 HydrophobicContact CG-CG 4.21Å; S80-L84 PolarHBondContact O-N 2.8Å; C82-L84 VanDerWaalsContact C-N 3.35Å; L84-S86 PolarHBondContact O-N 3.31Å; L84-A87 PolarHBondContact O-N 3.5Å; L84-S88 WeakPolarHBondContact O-CB 3.24Å; L84-S88 PolarHBondContact O-N 3.28Å; L84-I99 HydrophobicContact CD1-CG2 4.4Å; L84-I99 HydrophobicContact CD2-CG2 4.36Å; L84-I99 VanDerWaalsContact CD2-O 3.3Å; L84-I99 WeakPolarHBondContact CD2-O 3.5Å; L84-I99 HydrophobicContact CG-CG2 4.11Å; L84-V101 HydrophobicContact CD1-CG2 3.82Å; L84-V101 HydrophobicContact CD2-CG2 4.25Å |
| 85 | K | 90.7 | Very high | 91.8 | Very high | 133 Ų | 133 | 55.5 Ų | 55.5 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.7 | -42.9 | 178.4 | -75.7 | 175.6 | -178 | -176.3 | 0 | 112.5 | G81 C82 S88 M89 | G81-K85 WeakPolarHBondContact O-CG 3.32Å; G81-K85 PolarHBondContact O-N 2.92Å; G81-K85 VanDerWaalsContact O-N 3.08Å; C82-K85 PolarHBondContact O-N 3.47Å; K85-S88 PolarHBondContact O-N 3.49Å; K85-M89 WeakPolarHBondContact O-CG 3.21Å; K85-M89 PolarHBondContact O-N 3.37Å |
| 86 | S | 89.2 | Confident | 91.8 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.4 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | C82 V83 L84 M89 A90 | C82-S86 PolarHBondContact O-N 3.33Å; C82-S86 PolarHBondContact O-OG 3.18Å; V83-S86 WeakPolarHBondContact CA-OG 3.22Å; V83-S86 PolarHBondContact O-OG 2.6Å; L84-S86 PolarHBondContact O-N 3.31Å; S86-M89 PolarHBondContact O-N 3.14Å; S86-A90 PolarHBondContact O-N 3.39Å |
| 87 | A | 92.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 22% | 0.223 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y78 V83 L84 M89 A90 A91 I99 | Y78-A87 HydrophobicContact CD1-CB 4.4Å; Y78-A87 HydrophobicContact CE1-CB 3.49Å; Y78-A87 VanDerWaalsContact CE1-CB 3.49Å; V83-A87 WeakPolarHBondContact O-CB 2.97Å; V83-A87 PolarHBondContact O-N 2.8Å; L84-A87 PolarHBondContact O-N 3.5Å; A87-M89 PolarHBondContact O-N 2.93Å; A87-A90 PolarHBondContact O-N 3.03Å; A87-A91 WeakPolarHBondContact O-CB 3Å; A87-A91 PolarHBondContact O-N 3.46Å; A87-I99 HydrophobicContact CB-CD1 4.25Å |
| 88 | S | 93.7 | Very high | 91.5 | Very high | 13 Ų | 13 | 69 Ų | 69 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.4 | -177 | 0 | 0 | 0 | 0 | 112.5 | L84 K85 A91 Q92 I99 | L84-S88 WeakPolarHBondContact O-CB 3.24Å; L84-S88 PolarHBondContact O-N 3.28Å; K85-S88 PolarHBondContact O-N 3.49Å; S88-A91 PolarHBondContact O-N 3.44Å; S88-Q92 WeakPolarHBondContact O-CG 3.33Å; S88-Q92 PolarHBondContact O-N 3.26Å; S88-I99 WeakPolarHBondContact CB-O 3.28Å; S88-I99 PolarHBondContact OG-N 2.96Å; S88-I99 PolarHBondContact OG-O 2.84Å |
| 89 | M | 89.6 | Confident | 91.6 | Very high | 48 Ų | 48 | 68.8 Ų | 68.8 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 177.1 | -74.3 | -174.3 | -70.6 | 0 | 0 | 111.7 | P19 K85 S86 A87 Q92 R93 | P19-M89 WeakPolarHBondContact O-CE 3.36Å; K85-M89 WeakPolarHBondContact O-CG 3.21Å; K85-M89 PolarHBondContact O-N 3.37Å; S86-M89 PolarHBondContact O-N 3.14Å; A87-M89 PolarHBondContact O-N 2.93Å; M89-Q92 PolarHBondContact O-N 3.29Å; M89-R93 WeakPolarHBondContact O-CG 3.4Å; M89-R93 PolarHBondContact O-N 3.34Å |
| 90 | A | 89.1 | Confident | 91.6 | Very high | 63 Ų | 63 | 63.7 Ų | 63.7 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S86 A87 R93 G94 | S86-A90 PolarHBondContact O-N 3.39Å; A87-A90 PolarHBondContact O-N 3.03Å; A90-R93 PolarHBondContact O-N 3.3Å; A90-G94 PolarHBondContact O-N 3.39Å |
| 91 | A | 91.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 12% | 0.116 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A87 S88 R93 G94 G95 R96 I99 | A87-A91 WeakPolarHBondContact O-CB 3Å; A87-A91 PolarHBondContact O-N 3.46Å; S88-A91 PolarHBondContact O-N 3.44Å; A91-R93 PolarHBondContact O-N 3.18Å; A91-G94 CarbonylContact O-C 3.58Å; A91-G94 WeakPolarHBondContact O-CA 3.43Å; A91-G94 PolarHBondContact O-N 3.48Å; A91-G94 VanDerWaalsContact O-N 3.11Å; A91-G95 PolarHBondContact O-N 2.87Å; A91-R96 CarbonylContact C-O 3.58Å; A91-R96 HydrophobicContact CB-CB 4.08Å; A91-R96 WeakPolarHBondContact O-CB 3.46Å; A91-R96 PolarHBondContact O-N 3.42Å; A91-I99 HydrophobicContact CB-CD1 4.34Å; A91-I99 HydrophobicContact CB-CG1 4.46Å |
| 92 | Q | 90.2 | Very high | 92.1 | Very high | 106 Ų | 106 | 73.2 Ų | 73.2 | 50% | 0.495 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 177.2 | -74.3 | 174.9 | 4 | 0 | 0 | 112.9 | S88 M89 G94 G95 P98 | S88-Q92 WeakPolarHBondContact O-CG 3.33Å; S88-Q92 PolarHBondContact O-N 3.26Å; M89-Q92 PolarHBondContact O-N 3.29Å; Q92-G94 PolarHBondContact O-N 2.03Å; Q92-G95 PolarHBondContact O-N 2.04Å; Q92-P98 HydrophobicContact CG-CB 4.27Å; Q92-P98 HydrophobicContact CG-CG 3.91Å |
| 93 | R | 87.8 | Confident | 92.4 | Very high | 129 Ų | 129 | 74.5 Ų | 74.5 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.2 | -32.5 | 176.4 | -73.2 | -179.8 | -171.5 | 173 | 9.5 | 112.8 | A16 C18 M89 A90 A91 G95 | A16-R93 PolarHBondContact O-NH1 3.22Å; C18-R93 VanDerWaalsContact C-NH2 3.32Å; C18-R93 VanDerWaalsContact N-NH2 3.19Å; C18-R93 PolarHBondContact O-NH2 3.36Å; M89-R93 WeakPolarHBondContact O-CG 3.4Å; M89-R93 PolarHBondContact O-N 3.34Å; A90-R93 PolarHBondContact O-N 3.3Å; A91-R93 PolarHBondContact O-N 3.18Å; R93-G95 VanDerWaalsContact C-N 3.26Å; R93-G95 PolarHBondContact O-N 2.72Å |
| 94 | G | 89.1 | Confident | 92.5 | Very high | 59 Ų | 59 | 80.4 Ų | 80.4 | 61% | 0.608 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 8.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A90 A91 Q92 R96 | A90-G94 PolarHBondContact O-N 3.39Å; A91-G94 CarbonylContact O-C 3.58Å; A91-G94 WeakPolarHBondContact O-CA 3.43Å; A91-G94 PolarHBondContact O-N 3.48Å; A91-G94 VanDerWaalsContact O-N 3.11Å; Q92-G94 PolarHBondContact O-N 2.03Å; G94-R96 VanDerWaalsContact C-N 3.3Å; G94-R96 PolarHBondContact O-N 3.41Å |
| 95 | G | 91.7 | Very high | 92.6 | Very high | 75 Ų | 75 | 81.4 Ų | 81.4 | 77% | 0.773 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 18.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A91 Q92 R93 | A91-G95 PolarHBondContact O-N 2.87Å; Q92-G95 PolarHBondContact O-N 2.04Å; R93-G95 VanDerWaalsContact C-N 3.26Å; R93-G95 PolarHBondContact O-N 2.72Å |
| 96 | R | 93.3 | Very high | 92.8 | Very high | 195 Ų | 195 | 83.4 Ų | 83.4 | 74% | 0.736 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -96.4 | 161.6 | 175.2 | -60.6 | 179.8 | -178 | 170.5 | -0.1 | 110.9 | A91 G94 | A91-R96 CarbonylContact C-O 3.58Å; A91-R96 HydrophobicContact CB-CB 4.08Å; A91-R96 WeakPolarHBondContact O-CB 3.46Å; A91-R96 PolarHBondContact O-N 3.42Å; G94-R96 VanDerWaalsContact C-N 3.3Å; G94-R96 PolarHBondContact O-N 3.41Å |
| 97 | E | 93.2 | Very high | 93.1 | Very high | 173 Ų | 173 | 81.9 Ų | 81.9 | 81% | 0.808 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 145.4 | 178.4 | -67.2 | -165.8 | 155.4 | 0 | 0 | 112.6 | ||
| 98 | P | 94.2 | Very high | 93.1 | Very high | 75 Ų | 75 | 85.6 Ų | 85.6 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -61 | 140.4 | 174.7 | -20.9 | 32.3 | 0 | 0 | 0 | 112.7 | Q92 | Q92-P98 HydrophobicContact CG-CB 4.27Å; Q92-P98 HydrophobicContact CG-CG 3.91Å |
| 99 | I | 96.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 90.1 Ų | 90.1 | 12% | 0.118 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 122.1 | 177 | -52.9 | 169.8 | 0 | 0 | 0 | 107.8 | D74 Y78 L84 A87 S88 A91 | D74-I99 HydrophobicContact CB-CG1 4.47Å; D74-I99 HydrophobicContact CB-CG2 4.32Å; Y78-I99 HydrophobicContact CE2-CG2 4.11Å; Y78-I99 WeakPolarHBondContact OH-CD1 3.45Å; L84-I99 HydrophobicContact CD1-CG2 4.4Å; L84-I99 HydrophobicContact CD2-CG2 4.36Å; L84-I99 VanDerWaalsContact CD2-O 3.3Å; L84-I99 WeakPolarHBondContact CD2-O 3.5Å; L84-I99 HydrophobicContact CG-CG2 4.11Å; A87-I99 HydrophobicContact CB-CD1 4.25Å; S88-I99 WeakPolarHBondContact CB-O 3.28Å; S88-I99 PolarHBondContact OG-N 2.96Å; S88-I99 PolarHBondContact OG-O 2.84Å; A91-I99 HydrophobicContact CB-CD1 4.34Å; A91-I99 HydrophobicContact CB-CG1 4.46Å |
| 100 | S | 95.6 | Very high | 92.9 | Very high | 70 Ų | 70 | 91.8 Ų | 91.8 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | trans | -111 | 160.5 | 179.1 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | G72 S73 Q102 | G72-S100 CarbonylContact C-O 3.57Å; G72-S100 VanDerWaalsContact CA-O 3.29Å; G72-S100 WeakPolarHBondContact CA-O 3.49Å; S73-S100 PolarHBondContact N-O 3.47Å; S73-S100 PolarHBondContact OG-N 3.45Å; S73-S100 PolarHBondContact OG-OG 2.87Å; S100-Q102 PolarHBondContact O-N 3.23Å | ||
| 101 | V | 96 | Very high | 92.6 | Very high | 76 Ų | 76 | 95.3 Ų | 95.3 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 115.6 | 174.1 | 176.3 | 0 | 0 | 0 | 0 | 108.4 | V70 C71 L84 | V70-V101 HydrophobicContact CB-CG1 4.2Å; V70-V101 HydrophobicContact CB-CG2 4.36Å; V70-V101 HydrophobicContact CG1-CG1 4.37Å; V70-V101 HydrophobicContact CG2-CG2 4.36Å; C71-V101 CarbonylContact O-C 3.44Å; C71-V101 WeakPolarHBondContact O-CA 3.02Å; L84-V101 HydrophobicContact CD1-CG2 3.82Å; L84-V101 HydrophobicContact CD2-CG2 4.25Å |
| 102 | Q | 96.4 | Very high | 92.4 | Very high | 133 Ų | 133 | 99.3 Ų | 99.3 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.1 | -46.7 | 173.1 | -172.1 | 174.9 | 28.4 | 0 | 0 | 111.4 | C71 S100 | C71-Q102 PolarHBondContact O-N 3.34Å; S100-Q102 PolarHBondContact O-N 3.23Å |
| 103 | N | 94.8 | Very high | 92.1 | Very high | 61 Ų | 61 | 100.7 Ų | 100.7 | 33% | 0.326 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -149.8 | 159.9 | 174.5 | 64.2 | -91.1 | 0 | 0 | 0 | 112.3 | C71 R106 | C71-N103 WeakPolarHBondContact CB-OD1 3.35Å; C71-N103 PolarHBondContact N-O 3.19Å; N103-R106 PolarHBondContact ND2-O 3.31Å |
| 104 | K | 94.8 | Very high | 92.2 | Very high | 159 Ų | 159 | 100.7 Ų | 100.7 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.4 | 142.5 | 167.4 | -60.6 | -173.5 | 179.5 | 177.4 | 0 | 109.3 | Y68 | Y68-K104 HydrophobicContact CE2-CB 3.97Å; Y68-K104 HydrophobicContact CE2-CD 3.99Å; Y68-K104 HydrophobicContact CE2-CG 3.82Å; Y68-K104 WeakPolarHBondContact OH-CE 3.15Å |
| 105 | G | 94.6 | Very high | 91.4 | Very high | 28 Ų | 28 | 103.6 Ų | 103.6 | 29% | 0.289 | 60% | 0.603 | S | S | . | * | S | Bend | trans | 90 | -163.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q69 V70 C71 | Q69-G105 CarbonylContact C-O 3.44Å; Q69-G105 VanDerWaalsContact O-CA 3.23Å; Q69-G105 WeakPolarHBondContact O-CA 3.11Å; Q69-G105 PolarHBondContact O-N 2.92Å; V70-G105 CarbonylContact C-O 3.52Å; V70-G105 WeakPolarHBondContact CA-O 3.35Å; V70-G105 PolarHBondContact N-O 3.37Å; C71-G105 PolarHBondContact N-O 3.37Å |
| 106 | R | 94.9 | Very high | 90.9 | Very high | 175 Ų | 175 | 104.2 Ų | 104.2 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -73.5 | 159.1 | 179.1 | -50.7 | -174.7 | 72.3 | 174.4 | 0.5 | 110.5 | T77 N103 | T77-R106 HydrophobicContact CG2-CB 4Å; T77-R106 HydrophobicContact CG2-CG 3.98Å; N103-R106 PolarHBondContact ND2-O 3.31Å |
| 107 | C | 95.7 | Very high | 89.9 | Confident | 17 Ų | 17 | 101 Ų | 101 | 12% | 0.115 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -66.3 | 155.2 | 166.3 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | C71 G75 T76 T77 S109 | C71-C107 WeakPolarHBondContact CA-SG 3.31Å; C71-C107 HydrophobicContact CB-CB 3.98Å; C71-C107 WeakPolarHBondContact CB-SG 3.23Å; C71-C107 WeakPolarHBondContact SG-CA 3.38Å; C71-C107 WeakPolarHBondContact SG-CB 3.02Å; C71-C107 CovalentContact SG-SG 2.04Å; C71-C107 PolarHBondContact SG-SG 3.36Å; G75-C107 PolarHBondContact O-SG 3.39Å; T76-C107 PolarHBondContact O-SG 3.02Å; T76-C107 VanDerWaalsContact O-SG 3.41Å; T77-C107 PolarHBondContact OG1-N 3.37Å; C107-S109 PolarHBondContact O-N 3.17Å |
| 108 | A | 92.9 | Very high | 88.8 | Confident | 106 Ų | 106 | 95.6 Ų | 95.6 | 88% | 0.876 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 135.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 109 | S | 89.1 | Confident | 87.5 | Confident | 107 Ų | 107 | 100.6 Ų | 100.6 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | trans | -138 | 154.6 | 177.1 | 64.4 | 0 | 0 | 0 | 0 | 110.1 | C107 | C107-S109 PolarHBondContact O-N 3.17Š| ||
| 110 | A | 90 | Very high | 85.9 | Confident | 83 Ų | 83 | 103.8 Ų | 103.8 | 69% | 0.686 | 63% | 0.626 | S | S | * | * | trans | -59.1 | 150.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S112 | A110-S112 PolarHBondContact O-N 2.89Š| ||
| 111 | P | 81.7 | Confident | 84.8 | Confident | 137 Ų | 137 | 108.6 Ų | 108.6 | 89% | 0.89 | 64% | 0.639 | S | S | * | * | trans | -62.5 | 135.9 | 174.7 | 26.4 | -33.4 | 0 | 0 | 0 | 110.1 | ||||
| 112 | S | 88.4 | Confident | 83.9 | Confident | 98 Ų | 98 | 108.6 Ų | 108.6 | 69% | 0.685 | 64% | 0.636 | S | S | * | * | trans | -114.2 | 133 | 170.8 | 60.3 | 0 | 0 | 0 | 0 | 109.8 | A110 V114 | A110-S112 PolarHBondContact O-N 2.89Å; S112-V114 PolarHBondContact O-N 3.16Å | ||
| 113 | I | 84.3 | Confident | 83.4 | Confident | 136 Ų | 136 | 104.6 Ų | 104.6 | 70% | 0.697 | 62% | 0.62 | S | S | * | * | trans | -76 | 104.5 | 171.7 | -62.2 | 174.2 | 0 | 0 | 0 | 106.8 | T115 P116 | I113-T115 WeakPolarHBondContact CG2-O 3.39Å; I113-P116 VanDerWaalsContact CG2-CA 3.49Å; I113-P116 HydrophobicContact CG2-CB 4.06Å | ||
| 114 | V | 88.6 | Confident | 83.2 | Confident | 128 Ų | 128 | 107.8 Ų | 107.8 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -74.7 | -34.1 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | S112 | S112-V114 PolarHBondContact O-N 3.16Š|
| 115 | T | 73.4 | Confident | 83.2 | Confident | 120 Ų | 120 | 101.4 Ų | 101.4 | 74% | 0.736 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -134.9 | 108.5 | 177 | -51.3 | 0 | 0 | 0 | 0 | 108.2 | I113 | I113-T115 WeakPolarHBondContact CG2-O 3.39Š|
| 116 | P | 79.8 | Confident | 83.3 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 160.8 | 176.4 | 30 | -34.2 | 0 | 0 | 0 | 110.7 | I113 G118 | I113-P116 VanDerWaalsContact CG2-CA 3.49Å; I113-P116 HydrophobicContact CG2-CB 4.06Å; P116-G118 PolarHBondContact O-N 3.38Å |
| 117 | P | 73.5 | Confident | 83.3 | Confident | 127 Ų | 127 | 96 Ų | 96 | 83% | 0.825 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 126.3 | 169.1 | -23.6 | 33.5 | 0 | 0 | 0 | 110.5 | ||
| 118 | G | 69.9 | Low | 83.3 | Confident | 60 Ų | 60 | 100.6 Ų | 100.6 | 62% | 0.619 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 168.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P116 V120 | P116-G118 PolarHBondContact O-N 3.38Å; G118-V120 PolarHBondContact O-N 2.93Å |
| 119 | Q | 66.5 | Low | 83.5 | Confident | 181 Ų | 181 | 96.3 Ų | 96.3 | 85% | 0.846 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 123.6 | 163.8 | -70.4 | -176.2 | -34.3 | 0 | 0 | 108.6 | ||
| 120 | V | 63.9 | Low | 83.8 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | trans | -117.1 | 126.9 | 179.6 | -172 | 0 | 0 | 0 | 0 | 108.4 | G118 N122 S179 | G118-V120 PolarHBondContact O-N 2.93Å; V120-N122 HydrophobicContact CG1-CB 4.05Å; V120-S179 WeakPolarHBondContact CG1-OG 3.04Å | ||
| 121 | F | 72.1 | Confident | 84 | Confident | 171 Ų | 171 | 93 Ų | 93 | 75% | 0.75 | 54% | 0.544 | S | S | * | . | trans | -104.6 | 87.5 | 169.8 | -57.9 | -84 | 0 | 0 | 0 | 107.3 | ||||
| 122 | N | 76.7 | Confident | 84.6 | Confident | 76 Ų | 76 | 91.1 Ų | 91.1 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | trans | -102.2 | 142.1 | -179.8 | 61.2 | -56.9 | 0 | 0 | 0 | 110.8 | V120 L177 I178 | V120-N122 HydrophobicContact CG1-CB 4.05Å; N122-L177 HydrophobicContact CB-CD1 3.79Å; N122-L177 VanDerWaalsContact ND2-CD1 3.31Å; N122-L177 WeakPolarHBondContact ND2-CD1 3.37Å; N122-I178 WeakPolarHBondContact CA-O 3.04Å | ||
| 123 | V | 86.6 | Confident | 85 | Confident | 48 Ų | 48 | 89.5 Ų | 89.5 | 29% | 0.291 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 141.1 | 165.5 | 175.8 | 0 | 0 | 0 | 0 | 107.8 | I178 L181 I206 | V123-I178 PolarHBondContact N-O 2.81Å; V123-I178 PolarHBondContact O-N 3.26Å; V123-L181 HydrophobicContact CB-CD1 4.49Å; V123-L181 HydrophobicContact CG2-CD1 4.37Å; V123-L181 HydrophobicContact CG2-CD2 3.78Å; V123-L181 HydrophobicContact CG2-CG 4.48Å; V123-I206 HydrophobicContact CG1-CD1 4.07Å; V123-I206 HydrophobicContact CG1-CG1 4.24Å; V123-I206 HydrophobicContact CG1-CG2 4.32Å |
| 124 | F | 90.8 | Very high | 85.5 | Confident | 129 Ų | 129 | 86.2 Ų | 86.2 | 57% | 0.566 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143 | 172.5 | 69.4 | -87.5 | 0 | 0 | 0 | 111.6 | V176 | F124-V176 CarbonylContact C-O 3.6Å; F124-V176 WeakPolarHBondContact CA-O 3.23Å |
| 125 | L | 94.7 | Very high | 85.9 | Confident | 25 Ų | 25 | 80.6 Ų | 80.6 | 13% | 0.131 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 141.5 | 164 | -62.2 | 174.5 | 0 | 0 | 0 | 108.1 | W139 W175 V176 Y189 I206 | L125-W139 HydrophobicContact CB-CH2 3.9Å; L125-W139 HydrophobicContact CB-CZ3 4.1Å; L125-W139 HydrophobicContact CD1-CZ3 4.32Å; L125-W175 CarbonylContact O-C 3.54Å; L125-W175 WeakPolarHBondContact O-CA 3.47Å; L125-V176 HydrophobicContact CB-CB 4.32Å; L125-V176 PolarHBondContact N-O 3.42Å; L125-V176 PolarHBondContact O-N 2.79Å; L125-Y189 VanDerWaalsContact CD1-CB 3.43Å; L125-Y189 HydrophobicContact CD1-CD1 4.3Å; L125-Y189 HydrophobicContact CD1-CD2 3.77Å; L125-Y189 HydrophobicContact CD1-CG 3.57Å; L125-I206 HydrophobicContact CD1-CD1 3.98Å; L125-I206 HydrophobicContact CD1-CG1 4.07Å; L125-I206 HydrophobicContact CD2-CG1 4.09Å; L125-I206 HydrophobicContact CG-CD1 4.1Å; L125-I206 HydrophobicContact CG-CG1 4.16Å |
| 126 | S | 95.4 | Very high | 87.1 | Confident | 69 Ų | 69 | 79.6 Ų | 79.6 | 48% | 0.483 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.4 | 176.9 | -173 | 0 | 0 | 0 | 0 | 109.2 | G174 W175 | S126-G174 WeakPolarHBondContact CA-O 3.46Å; S126-W175 PolarHBondContact OG-NE1 3.11Å |
| 127 | C | 95.6 | Very high | 87.9 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 13% | 0.128 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 134.5 | 175 | 177.5 | 0 | 0 | 0 | 0 | 109 | W139 T173 G174 C191 | C127-W139 HydrophobicContact CB-CH2 3.52Å; C127-W139 HydrophobicContact CB-CZ2 3.28Å; C127-T173 CarbonylContact O-C 3.55Å; C127-T173 WeakPolarHBondContact O-CA 3.04Å; C127-G174 PolarHBondContact N-O 3.33Å; C127-G174 PolarHBondContact O-N 3.49Å; C127-C191 HydrophobicContact CB-CB 3.46Å; C127-C191 VanDerWaalsContact CB-CB 3.46Å; C127-C191 WeakPolarHBondContact CB-SG 3.39Å; C127-C191 WeakPolarHBondContact SG-CB 3.47Å; C127-C191 CovalentContact SG-SG 2.03Å; C127-C191 PolarHBondContact SG-SG 3.29Å |
| 128 | E | 95.7 | Very high | 89 | Confident | 115 Ų | 115 | 72.5 Ų | 72.5 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.7 | 178.9 | -169.1 | -175.9 | 135.1 | 0 | 0 | 109.2 | Q171 V172 T173 | E128-Q171 HydrophobicContact CG-CG 4.06Å; E128-Q171 VanDerWaalsContact OE1-CD 3.27Å; E128-Q171 PolarHBondContact OE1-NE2 3.47Å; E128-V172 WeakPolarHBondContact CA-O 3.32Å; E128-T173 HydrophobicContact CB-CG2 4.47Å |
| 129 | A | 95.9 | Very high | 90.3 | Very high | 15 Ų | 15 | 70.1 Ų | 70.1 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | P135 L137 Q171 V172 A193 | A129-P135 HydrophobicContact CB-CG 3.86Å; A129-L137 HydrophobicContact CB-CD2 3.77Å; A129-Q171 WeakPolarHBondContact O-CA 3.35Å; A129-V172 HydrophobicContact CB-CG1 4.03Å; A129-V172 PolarHBondContact N-O 3.08Å; A129-V172 WeakPolarHBondContact O-CG1 3.35Å; A129-V172 PolarHBondContact O-N 3.35Å; A129-A193 HydrophobicContact CB-CB 3.6Å |
| 130 | V | 96 | Very high | 91.7 | Very high | 103 Ų | 103 | 63.8 Ų | 63.8 | 62% | 0.624 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144.7 | 173.4 | -67.8 | 0 | 0 | 0 | 0 | 109.1 | H170 Q171 | V130-H170 WeakPolarHBondContact CA-O 3.3Å; V130-Q171 HydrophobicContact CG1-CB 4Å; V130-Q171 HydrophobicContact CG1-CG 3.76Å |
| 131 | G | 94.5 | Very high | 93.1 | Very high | 19 Ų | 19 | 60.5 Ų | 60.5 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | trans | 176.7 | 150.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P133 T134 H170 | G131-P133 CarbonylContact C-O 3.18Å; G131-P133 CarbonylContact O-C 3.57Å; G131-T134 WeakPolarHBondContact O-CA 3.36Å; G131-T134 PolarHBondContact O-N 3.3Å; G131-H170 PolarHBondContact N-O 3.26Å; G131-H170 WeakPolarHBondContact O-CB 3.29Å | ||
| 132 | V | 95.3 | Very high | 94 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 58% | 0.582 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -115.7 | 114.7 | 179.1 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | H170 R197 | V132-H170 HydrophobicContact CG2-CB 3.98Å; V132-R197 WeakPolarHBondContact O-CG 3.15Å |
| 133 | P | 95.8 | Very high | 94.4 | Very high | 65 Ų | 65 | 54.1 Ų | 54.1 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | S | Bend | cis | -65.7 | 159.9 | -3.5 | -18.9 | 33.2 | 0 | 0 | 0 | 113.6 | G131 N195 S196 | G131-P133 CarbonylContact C-O 3.18Å; G131-P133 CarbonylContact O-C 3.57Å; P133-N195 WeakPolarHBondContact O-CB 3.09Å; P133-N195 PolarHBondContact O-ND2 2.78Å; P133-S196 WeakPolarHBondContact CD-OG 3.3Å |
| 134 | T | 95.6 | Very high | 93.6 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 124.8 | -179.1 | -47.5 | 0 | 0 | 0 | 0 | 110.2 | G131 H170 V172 | G131-T134 WeakPolarHBondContact O-CA 3.36Å; G131-T134 PolarHBondContact O-N 3.3Å; T134-H170 WeakPolarHBondContact OG1-CA 3.25Å; T134-H170 PolarHBondContact OG1-ND1 3.34Å; T134-V172 HydrophobicContact CG2-CB 4.25Å |
| 135 | P | 97.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 7% | 0.065 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 157.2 | -175.7 | 28.8 | -31.9 | 0 | 0 | 0 | 111.8 | A129 V172 A193 A194 N195 | A129-P135 HydrophobicContact CB-CG 3.86Å; P135-V172 HydrophobicContact CG-CG1 3.81Å; P135-V172 WeakPolarHBondContact O-CG1 3.29Å; P135-A193 HydrophobicContact CB-CB 4.31Å; P135-A194 CarbonylContact C-O 2.94Å; P135-A194 VanDerWaalsContact CA-O 3.31Å; P135-A194 WeakPolarHBondContact CA-O 3.29Å; P135-N195 HydrophobicContact CB-CB 4.27Å |
| 136 | V | 96.6 | Very high | 90.4 | Very high | 100 Ų | 100 | 63.4 Ų | 63.4 | 61% | 0.606 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 132.1 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 108 | A193 A194 | V136-A193 WeakPolarHBondContact O-CA 3.39Å; V136-A194 PolarHBondContact N-O 2.93Å; V136-A194 PolarHBondContact O-N 3.47Å |
| 137 | L | 97.1 | Very high | 88.7 | Confident | 15 Ų | 15 | 70 Ų | 70 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 134.9 | 173.5 | -65.5 | -175.9 | 0 | 0 | 0 | 110.9 | A129 T163 V172 G174 H192 A193 | A129-L137 HydrophobicContact CB-CD2 3.77Å; L137-T163 HydrophobicContact CB-CG2 4.46Å; L137-T163 HydrophobicContact CD1-CG2 4.46Å; L137-V172 HydrophobicContact CD1-CB 4.44Å; L137-V172 HydrophobicContact CD1-CG1 3.95Å; L137-V172 HydrophobicContact CD1-CG2 3.91Å; L137-V172 HydrophobicContact CD2-CG1 4.01Å; L137-V172 HydrophobicContact CG-CB 4.43Å; L137-V172 HydrophobicContact CG-CG1 3.64Å; L137-V172 HydrophobicContact CG-CG2 3.96Å; L137-G174 VanDerWaalsContact CD1-N 3.28Å; L137-H192 CarbonylContact C-O 3.59Å; L137-H192 WeakPolarHBondContact CA-O 3.42Å; L137-A193 HydrophobicContact CD2-CB 3.58Å |
| 138 | T | 97 | Very high | 87.9 | Confident | 50 Ų | 50 | 78.2 Ų | 78.2 | 31% | 0.307 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.7 | 172.6 | -55.9 | 0 | 0 | 0 | 0 | 108.8 | L151 H192 | T138-L151 HydrophobicContact CG2-CD2 3.93Å; T138-H192 PolarHBondContact N-O 2.96Å; T138-H192 PolarHBondContact O-N 3.49Å |
| 139 | W | 97.4 | Very high | 87.4 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 4% | 0.038 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 141 | 178.2 | -75.5 | 94.5 | 0 | 0 | 0 | 111.2 | L125 C127 L152 V161 V176 E190 C191 | L125-W139 HydrophobicContact CB-CH2 3.9Å; L125-W139 HydrophobicContact CB-CZ3 4.1Å; L125-W139 HydrophobicContact CD1-CZ3 4.32Å; C127-W139 HydrophobicContact CB-CH2 3.52Å; C127-W139 HydrophobicContact CB-CZ2 3.28Å; W139-L152 HydrophobicContact CB-CB 3.92Å; W139-L152 HydrophobicContact CB-CD1 4Å; W139-L152 HydrophobicContact CB-CG 4.41Å; W139-L152 PolarHBondContact O-N 2.91Å; W139-V161 HydrophobicContact CB-CG2 4.47Å; W139-V161 HydrophobicContact CG-CG1 4.29Å; W139-V176 HydrophobicContact CB-CG2 4.07Å; W139-V176 HydrophobicContact CD2-CG2 3.34Å; W139-V176 HydrophobicContact CE3-CG2 3.54Å; W139-V176 HydrophobicContact CG-CG2 3.61Å; W139-V176 HydrophobicContact CH2-CG2 4.35Å; W139-V176 HydrophobicContact CZ2-CG2 4.21Å; W139-V176 HydrophobicContact CZ3-CG2 4.05Å; W139-E190 WeakPolarHBondContact CA-O 3.3Å; W139-C191 HydrophobicContact CD2-CB 4.23Å; W139-C191 HydrophobicContact CE3-CB 3.97Å; W139-C191 HydrophobicContact CH2-CB 3.88Å; W139-C191 HydrophobicContact CZ2-CB 4.12Å; W139-C191 HydrophobicContact CZ3-CB 3.78Å |
| 140 | K | 95.3 | Very high | 87.2 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 21% | 0.209 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.4 | 177.8 | -48.6 | -175.9 | -173.2 | 149.1 | 0 | 110.8 | A149 E150 L151 Y189 E190 | K140-A149 HydrophobicContact CB-CB 4.14Å; K140-A149 HydrophobicContact CD-CB 4.17Å; K140-E150 CarbonylContact C-O 3.56Å; K140-E150 WeakPolarHBondContact CA-O 3.3Å; K140-L151 HydrophobicContact CD-CD2 3.97Å; K140-L151 HydrophobicContact CG-CD2 3.79Å; K140-Y189 CarbonylContact O-C 3.58Å; K140-Y189 WeakPolarHBondContact O-CA 3.03Å; K140-E190 PolarHBondContact N-O 3.06Å; K140-E190 IonicContact NZ-OE1 2.8Å; K140-E190 PolarHBondContact O-N 3.21Å |
| 141 | K | 93.9 | Very high | 87.2 | Confident | 21 Ų | 21 | 77.9 Ų | 77.9 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 126.4 | 165 | -170 | 177.5 | -178.2 | -172 | 0 | 109.2 | L143 A149 E150 L152 E184 Y189 | K141-L143 HydrophobicContact CD-CD2 4.49Å; K141-L143 PolarHBondContact O-N 3.45Å; K141-A149 CarbonylContact O-C 3.59Å; K141-A149 VanDerWaalsContact O-CA 3.27Å; K141-A149 WeakPolarHBondContact O-CA 3.45Å; K141-E150 PolarHBondContact N-O 3.31Å; K141-E150 PolarHBondContact O-N 3.17Å; K141-L152 HydrophobicContact CB-CD2 4.31Å; K141-E184 PolarHBondContact NZ-O 2.04Å; K141-Y189 HydrophobicContact CB-CD1 4.1Å; K141-Y189 HydrophobicContact CB-CE1 3.96Å; K141-Y189 HydrophobicContact CD-CE1 3.94Å; K141-Y189 HydrophobicContact CG-CD1 4.14Å; K141-Y189 HydrophobicContact CG-CE1 3.75Å |
| 142 | V | 91.6 | Very high | 87.2 | Confident | 48 Ų | 48 | 78 Ų | 78 | 29% | 0.291 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.6 | 178.7 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | S188 E190 | V142-S188 WeakPolarHBondContact CB-O 3.31Å; V142-S188 PolarHBondContact N-O 3.27Å; V142-E190 HydrophobicContact CG2-CB 4.15Å |
| 143 | L | 85.4 | Confident | 87.2 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 34% | 0.34 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 154.2 | 175.9 | -56.2 | 177 | 0 | 0 | 0 | 109 | K141 G145 R148 E150 | K141-L143 HydrophobicContact CD-CD2 4.49Å; K141-L143 PolarHBondContact O-N 3.45Å; L143-G145 PolarHBondContact O-N 3.08Å; L143-G145 VanDerWaalsContact O-N 3.12Å; L143-R148 HydrophobicContact CB-CB 4.03Å; L143-R148 WeakPolarHBondContact CB-O 3.2Å; L143-R148 PolarHBondContact N-O 3.41Å; L143-E150 HydrophobicContact CD1-CB 4.22Å |
| 144 | G | 69.4 | Low | 87 | Confident | 84 Ų | 84 | 75.3 Ų | 75.3 | 87% | 0.866 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -47.6 | 118.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 145 | G | 61 | Low | 86.7 | Confident | 53 Ų | 53 | 79.5 Ų | 79.5 | 55% | 0.546 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 100.2 | 128.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L143 K147 R148 | L143-G145 PolarHBondContact O-N 3.08Å; L143-G145 VanDerWaalsContact O-N 3.12Å; G145-K147 PolarHBondContact O-N 2.81Å; G145-R148 PolarHBondContact O-N 2.92Å; G145-R148 VanDerWaalsContact O-N 3.1Å |
| 146 | R | 56.9 | Low | 86.4 | Confident | 261 Ų | 261 | 81.3 Ų | 81.3 | 99% | 0.985 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 3 | -170.5 | -74.2 | -179.9 | 176.5 | 157.9 | -1.2 | 117.9 | ||
| 147 | K | 59.8 | Low | 86.2 | Confident | 208 Ų | 208 | 84.3 Ų | 84.3 | 90% | 0.904 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.3 | 1.1 | -178.9 | -66.2 | -169.9 | 178.5 | -176.1 | 0 | 114.8 | G145 | G145-K147 PolarHBondContact O-N 2.81Š|
| 148 | R | 78 | Confident | 85.9 | Confident | 190 Ų | 190 | 84.7 Ų | 84.7 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | trans | -110.6 | 113.6 | 174.1 | -80.6 | -175.3 | 151.5 | -179.1 | -7.3 | 109.6 | L143 G145 | L143-R148 HydrophobicContact CB-CB 4.03Å; L143-R148 WeakPolarHBondContact CB-O 3.2Å; L143-R148 PolarHBondContact N-O 3.41Å; G145-R148 PolarHBondContact O-N 2.92Å; G145-R148 VanDerWaalsContact O-N 3.1Å | ||
| 149 | A | 86.3 | Confident | 85.8 | Confident | 58 Ų | 58 | 82.9 Ų | 82.9 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | K140 K141 | K140-A149 HydrophobicContact CB-CB 4.14Å; K140-A149 HydrophobicContact CD-CB 4.17Å; K141-A149 CarbonylContact O-C 3.59Å; K141-A149 VanDerWaalsContact O-CA 3.27Å; K141-A149 WeakPolarHBondContact O-CA 3.45Å |
| 150 | E | 92.2 | Very high | 85.7 | Confident | 60 Ų | 60 | 84.3 Ų | 84.3 | 28% | 0.28 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.4 | 178.8 | -162.3 | -168.9 | 135.8 | 0 | 0 | 109.5 | K140 K141 L143 R156 | K140-E150 CarbonylContact C-O 3.56Å; K140-E150 WeakPolarHBondContact CA-O 3.3Å; K141-E150 PolarHBondContact N-O 3.31Å; K141-E150 PolarHBondContact O-N 3.17Å; L143-E150 HydrophobicContact CD1-CB 4.22Å; E150-R156 IonicContact OE1-CZ 2.7Å; E150-R156 IonicContact OE1-NH1 2.75Å; E150-R156 PolarHBondContact OE1-NH1 2.87Å; E150-R156 IonicContact OE1-NH2 3.74Å; E150-R156 PolarHBondContact OE1-NH2 2.83Å; E150-R156 IonicContact OE2-CZ 3.88Å; E150-R156 IonicContact OE2-NH1 3.7Å; E150-R156 IonicContact OE2-NH2 3.82Å; E150-R156 PolarHBondContact OE2-NH2 2.83Å |
| 151 | L | 94.3 | Very high | 85.8 | Confident | 109 Ų | 109 | 84.1 Ų | 84.1 | 57% | 0.571 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 134.6 | 177.8 | -65.6 | 178.9 | 0 | 0 | 0 | 110.1 | T138 K140 G154 | T138-L151 HydrophobicContact CG2-CD2 3.93Å; K140-L151 HydrophobicContact CD-CD2 3.97Å; K140-L151 HydrophobicContact CG-CD2 3.79Å; L151-G154 PolarHBondContact O-N 2.82Å |
| 152 | L | 95.5 | Very high | 85.8 | Confident | 21 Ų | 21 | 88.5 Ų | 88.5 | 11% | 0.11 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -92.9 | 149.6 | 175.4 | -66 | -179.1 | 0 | 0 | 0 | 111.5 | W139 K141 L159 V161 V176 Y189 | W139-L152 HydrophobicContact CB-CB 3.92Å; W139-L152 HydrophobicContact CB-CD1 4Å; W139-L152 HydrophobicContact CB-CG 4.41Å; W139-L152 PolarHBondContact O-N 2.91Å; K141-L152 HydrophobicContact CB-CD2 4.31Å; L152-L159 HydrophobicContact CB-CD2 4.45Å; L152-L159 HydrophobicContact CD1-CD1 4.39Å; L152-L159 HydrophobicContact CD2-CD1 3.98Å; L152-L159 HydrophobicContact CD2-CD2 4.26Å; L152-V161 HydrophobicContact CB-CG2 3.76Å; L152-V176 HydrophobicContact CD1-CG1 4.16Å; L152-V176 HydrophobicContact CD1-CG2 4.06Å; L152-Y189 HydrophobicContact CD1-CD1 3.68Å; L152-Y189 HydrophobicContact CD1-CE1 3.99Å |
| 153 | P | 95.3 | Very high | 86 | Confident | 56 Ų | 56 | 89.5 Ų | 89.5 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | S | Bend | cis | -79.1 | -21.2 | 4.3 | 30.8 | -34.6 | 0 | 0 | 0 | 115.1 | R156 L159 V161 | P153-R156 PolarHBondContact O-NH1 2.82Å; P153-L159 HydrophobicContact CB-CD2 3.58Å; P153-V161 HydrophobicContact CB-CG2 4.22Å |
| 154 | G | 90.7 | Very high | 86.5 | Confident | 49 Ų | 49 | 94.8 Ų | 94.8 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -143.3 | -173 | 0 | 0 | 0 | 0 | 0 | 111.9 | L151 | L151-G154 PolarHBondContact O-N 2.82Š|
| 155 | D | 89.9 | Confident | 87.5 | Confident | 154 Ų | 154 | 93.9 Ų | 93.9 | 82% | 0.824 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 11.9 | 176.8 | 61.5 | -20.5 | 0 | 0 | 0 | 113.6 | ||
| 156 | R | 90.9 | Very high | 88.4 | Confident | 48 Ų | 48 | 92.2 Ų | 92.2 | 18% | 0.181 | 48% | 0.478 | C | S | . | . | trans | -68.5 | 133.5 | 179.3 | -63.8 | 178 | 178.1 | 76.8 | 11 | 111.6 | E150 P153 L159 | E150-R156 IonicContact OE1-CZ 2.7Å; E150-R156 IonicContact OE1-NH1 2.75Å; E150-R156 PolarHBondContact OE1-NH1 2.87Å; E150-R156 IonicContact OE1-NH2 3.74Å; E150-R156 PolarHBondContact OE1-NH2 2.83Å; E150-R156 IonicContact OE2-CZ 3.88Å; E150-R156 IonicContact OE2-NH1 3.7Å; E150-R156 IonicContact OE2-NH2 3.82Å; E150-R156 PolarHBondContact OE2-NH2 2.83Å; P153-R156 PolarHBondContact O-NH1 2.82Å; R156-L159 HydrophobicContact CB-CB 3.99Å | ||
| 157 | D | 91.6 | Very high | 89.3 | Confident | 163 Ų | 163 | 85.9 Ų | 85.9 | 87% | 0.872 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -87.5 | -25.1 | 178.9 | 63.6 | -9 | 0 | 0 | 0 | 113.3 | ||
| 158 | N | 91.9 | Very high | 90.5 | Very high | 22 Ų | 22 | 82.7 Ų | 82.7 | 12% | 0.118 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -96.1 | 3.9 | -177.2 | 70.9 | -26.9 | 0 | 0 | 0 | 114.1 | I178 S179 P180 E185 | N158-I178 CarbonylContact O-C 3.57Å; N158-I178 WeakPolarHBondContact O-CA 3.38Å; N158-S179 WeakPolarHBondContact CA-O 3.04Å; N158-S179 WeakPolarHBondContact CB-O 3.43Å; N158-S179 PolarHBondContact O-N 3.3Å; N158-P180 PolarHBondContact ND2-O 3.27Å; N158-P180 VanDerWaalsContact ND2-O 3.08Å; N158-E185 PolarHBondContact ND2-OE1 3.47Å; N158-E185 PolarHBondContact ND2-OE2 3.45Å |
| 159 | L | 94.2 | Very high | 91 | Very high | 12 Ų | 12 | 82.7 Ų | 82.7 | 6% | 0.063 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.1 | -175.4 | -173.8 | 155.6 | 0 | 0 | 0 | 111.8 | L152 P153 R156 V161 V176 L177 I178 | L152-L159 HydrophobicContact CB-CD2 4.45Å; L152-L159 HydrophobicContact CD1-CD1 4.39Å; L152-L159 HydrophobicContact CD2-CD1 3.98Å; L152-L159 HydrophobicContact CD2-CD2 4.26Å; P153-L159 HydrophobicContact CB-CD2 3.58Å; R156-L159 HydrophobicContact CB-CB 3.99Å; L159-V161 HydrophobicContact CD2-CG2 3.95Å; L159-V176 HydrophobicContact CD1-CG1 3.76Å; L159-V176 HydrophobicContact CD2-CG1 4.04Å; L159-V176 HydrophobicContact CG-CG1 3.86Å; L159-L177 CarbonylContact C-O 3.57Å; L159-L177 VanDerWaalsContact CA-O 3.32Å; L159-L177 WeakPolarHBondContact CA-O 3.39Å; L159-I178 HydrophobicContact CD1-CD1 4.03Å; L159-I178 HydrophobicContact CD1-CG1 3.91Å; L159-I178 HydrophobicContact CG-CG1 4.09Å |
| 160 | A | 95.4 | Very high | 91.3 | Very high | 41 Ų | 41 | 83.8 Ų | 83.8 | 34% | 0.339 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L177 | A160-L177 PolarHBondContact N-O 3Å; A160-L177 PolarHBondContact O-N 2.99Å |
| 161 | V | 96.8 | Very high | 91.4 | Very high | 43 Ų | 43 | 81.7 Ų | 81.7 | 26% | 0.261 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.3 | 169.6 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | W139 L152 P153 L159 W175 V176 | W139-V161 HydrophobicContact CB-CG2 4.47Å; W139-V161 HydrophobicContact CG-CG1 4.29Å; L152-V161 HydrophobicContact CB-CG2 3.76Å; P153-V161 HydrophobicContact CB-CG2 4.22Å; L159-V161 HydrophobicContact CD2-CG2 3.95Å; V161-W175 WeakPolarHBondContact CA-O 3.39Å; V161-V176 HydrophobicContact CG2-CG2 4.15Å |
| 162 | Q | 95.9 | Very high | 91.5 | Very high | 113 Ų | 113 | 77 Ų | 77 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.7 | 174 | -67.4 | -172 | 57.2 | 0 | 0 | 109.9 | G174 W175 | Q162-G174 CarbonylContact O-C 3.55Å; Q162-G174 VanDerWaalsContact O-CA 3.28Å; Q162-G174 WeakPolarHBondContact O-CA 3.31Å; Q162-W175 HydrophobicContact CB-CE3 4.47Å; Q162-W175 PolarHBondContact N-O 3.34Å; Q162-W175 PolarHBondContact O-N 3.28Å |
| 163 | T | 95.5 | Very high | 91.5 | Very high | 69 Ų | 69 | 76.6 Ų | 76.6 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 135.9 | 176.9 | -54 | 0 | 0 | 0 | 0 | 108.8 | L137 V172 T173 | L137-T163 HydrophobicContact CB-CG2 4.46Å; L137-T163 HydrophobicContact CD1-CG2 4.46Å; T163-V172 HydrophobicContact CG2-CG2 3.39Å; T163-T173 CarbonylContact C-O 3.48Å; T163-T173 WeakPolarHBondContact CA-O 3Å |
| 164 | R | 94.6 | Very high | 91.5 | Very high | 177 Ų | 177 | 73.9 Ų | 73.9 | 67% | 0.668 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 156.2 | 175.8 | -58.4 | -170.5 | 95.6 | 170.3 | 5.7 | 109.5 | V172 T173 W175 | R164-V172 WeakPolarHBondContact O-CG2 3.44Å; R164-T173 PolarHBondContact N-O 3.24Å; R164-T173 PolarHBondContact O-N 3.23Å; R164-T173 VanDerWaalsContact O-O 3.13Å; R164-W175 HydrophobicContact CB-CH2 4.23Å; R164-W175 HydrophobicContact CB-CZ3 3.9Å; R164-W175 HydrophobicContact CG-CH2 4.49Å; R164-W175 HydrophobicContact CG-CZ3 3.88Å |
| 165 | G | 91.6 | Very high | 91.8 | Very high | 64 Ų | 64 | 75.6 Ų | 75.6 | 66% | 0.66 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 145.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 166 | G | 78.6 | Confident | 92.1 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | trans | -74.8 | 170.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E168 Q171 | G166-E168 PolarHBondContact O-N 3.44Å; G166-Q171 PolarHBondContact N-O 3.18Å | ||
| 167 | P | 75.6 | Confident | 92.3 | Very high | 128 Ų | 128 | 68.9 Ų | 68.9 | 83% | 0.831 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -59.9 | -28.6 | 174 | 23.8 | -35 | 0 | 0 | 0 | 113.6 | ||
| 168 | E | 85.1 | Confident | 92.3 | Very high | 141 Ų | 141 | 61.2 Ų | 61.2 | 66% | 0.659 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -98.2 | 159.2 | 179.3 | -61.2 | -167.8 | 176.4 | 0 | 0 | 113.3 | G166 Q171 | G166-E168 PolarHBondContact O-N 3.44Å; E168-Q171 HydrophobicContact CB-CB 4.47Å; E168-Q171 WeakPolarHBondContact O-CB 3.42Å; E168-Q171 PolarHBondContact O-N 3.04Å |
| 169 | K | 89.2 | Confident | 92.3 | Very high | 190 Ų | 190 | 62.4 Ų | 62.4 | 83% | 0.826 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 142.1 | 174.3 | -71 | -172.1 | -178 | 179.4 | 0 | 109.5 | Q171 | K169-Q171 PolarHBondContact O-N 3.29Š|
| 170 | H | 92.4 | Very high | 92.1 | Very high | 80 Ų | 80 | 65.8 Ų | 65.8 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 22.2 | 176.9 | -60.9 | -55.3 | 0 | 0 | 0 | 115.5 | V130 G131 V132 T134 | V130-H170 WeakPolarHBondContact CA-O 3.3Å; G131-H170 PolarHBondContact N-O 3.26Å; G131-H170 WeakPolarHBondContact O-CB 3.29Å; V132-H170 HydrophobicContact CG2-CB 3.98Å; T134-H170 WeakPolarHBondContact OG1-CA 3.25Å; T134-H170 PolarHBondContact OG1-ND1 3.34Å |
| 171 | Q | 95.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.075 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.8 | 177.8 | -167.7 | 174.5 | 55.4 | 0 | 0 | 111.1 | E128 A129 V130 G166 E168 K169 | E128-Q171 HydrophobicContact CG-CG 4.06Å; E128-Q171 VanDerWaalsContact OE1-CD 3.27Å; E128-Q171 PolarHBondContact OE1-NE2 3.47Å; A129-Q171 WeakPolarHBondContact O-CA 3.35Å; V130-Q171 HydrophobicContact CG1-CB 4Å; V130-Q171 HydrophobicContact CG1-CG 3.76Å; G166-Q171 PolarHBondContact N-O 3.18Å; E168-Q171 HydrophobicContact CB-CB 4.47Å; E168-Q171 WeakPolarHBondContact O-CB 3.42Å; E168-Q171 PolarHBondContact O-N 3.04Å; K169-Q171 PolarHBondContact O-N 3.29Å |
| 172 | V | 95.5 | Very high | 91.4 | Very high | 10 Ų | 10 | 66.4 Ų | 66.4 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 139.8 | 175.4 | 61.7 | 0 | 0 | 0 | 0 | 109.1 | E128 A129 T134 P135 L137 T163 R164 | E128-V172 WeakPolarHBondContact CA-O 3.32Å; A129-V172 HydrophobicContact CB-CG1 4.03Å; A129-V172 PolarHBondContact N-O 3.08Å; A129-V172 WeakPolarHBondContact O-CG1 3.35Å; A129-V172 PolarHBondContact O-N 3.35Å; T134-V172 HydrophobicContact CG2-CB 4.25Å; P135-V172 HydrophobicContact CG-CG1 3.81Å; P135-V172 WeakPolarHBondContact O-CG1 3.29Å; L137-V172 HydrophobicContact CD1-CB 4.44Å; L137-V172 HydrophobicContact CD1-CG1 3.95Å; L137-V172 HydrophobicContact CD1-CG2 3.91Å; L137-V172 HydrophobicContact CD2-CG1 4.01Å; L137-V172 HydrophobicContact CG-CB 4.43Å; L137-V172 HydrophobicContact CG-CG1 3.64Å; L137-V172 HydrophobicContact CG-CG2 3.96Å; T163-V172 HydrophobicContact CG2-CG2 3.39Å; R164-V172 WeakPolarHBondContact O-CG2 3.44Å |
| 173 | T | 95.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.3 | 175.3 | -45.5 | 0 | 0 | 0 | 0 | 109 | C127 E128 T163 R164 W175 | C127-T173 CarbonylContact O-C 3.55Å; C127-T173 WeakPolarHBondContact O-CA 3.04Å; E128-T173 HydrophobicContact CB-CG2 4.47Å; T163-T173 CarbonylContact C-O 3.48Å; T163-T173 WeakPolarHBondContact CA-O 3Å; R164-T173 PolarHBondContact N-O 3.24Å; R164-T173 PolarHBondContact O-N 3.23Å; R164-T173 VanDerWaalsContact O-O 3.13Å; T173-W175 HydrophobicContact CG2-CD2 4.34Å; T173-W175 HydrophobicContact CG2-CH2 3.56Å; T173-W175 HydrophobicContact CG2-CZ2 3.26Å; T173-W175 HydrophobicContact CG2-CZ3 4.19Å; T173-W175 VanDerWaalsContact O-CZ3 3.27Å; T173-W175 WeakPolarHBondContact O-CZ3 3.33Å |
| 174 | G | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S126 C127 L137 Q162 | S126-G174 WeakPolarHBondContact CA-O 3.46Å; C127-G174 PolarHBondContact N-O 3.33Å; C127-G174 PolarHBondContact O-N 3.49Å; L137-G174 VanDerWaalsContact CD1-N 3.28Å; Q162-G174 CarbonylContact O-C 3.55Å; Q162-G174 VanDerWaalsContact O-CA 3.28Å; Q162-G174 WeakPolarHBondContact O-CA 3.31Å |
| 175 | W | 96.3 | Very high | 90.6 | Very high | 85 Ų | 85 | 62.5 Ų | 62.5 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140 | 177.3 | -58.6 | -91 | 0 | 0 | 0 | 110.8 | L125 S126 V161 Q162 R164 T173 | L125-W175 CarbonylContact O-C 3.54Å; L125-W175 WeakPolarHBondContact O-CA 3.47Å; S126-W175 PolarHBondContact OG-NE1 3.11Å; V161-W175 WeakPolarHBondContact CA-O 3.39Å; Q162-W175 HydrophobicContact CB-CE3 4.47Å; Q162-W175 PolarHBondContact N-O 3.34Å; Q162-W175 PolarHBondContact O-N 3.28Å; R164-W175 HydrophobicContact CB-CH2 4.23Å; R164-W175 HydrophobicContact CB-CZ3 3.9Å; R164-W175 HydrophobicContact CG-CH2 4.49Å; R164-W175 HydrophobicContact CG-CZ3 3.88Å; T173-W175 HydrophobicContact CG2-CD2 4.34Å; T173-W175 HydrophobicContact CG2-CH2 3.56Å; T173-W175 HydrophobicContact CG2-CZ2 3.26Å; T173-W175 HydrophobicContact CG2-CZ3 4.19Å; T173-W175 VanDerWaalsContact O-CZ3 3.27Å; T173-W175 WeakPolarHBondContact O-CZ3 3.33Å |
| 176 | V | 96.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.5 | 163.5 | -179.4 | 0 | 0 | 0 | 0 | 106.8 | F124 L125 W139 L152 L159 V161 I178 | F124-V176 CarbonylContact C-O 3.6Å; F124-V176 WeakPolarHBondContact CA-O 3.23Å; L125-V176 HydrophobicContact CB-CB 4.32Å; L125-V176 PolarHBondContact N-O 3.42Å; L125-V176 PolarHBondContact O-N 2.79Å; W139-V176 HydrophobicContact CB-CG2 4.07Å; W139-V176 HydrophobicContact CD2-CG2 3.34Å; W139-V176 HydrophobicContact CE3-CG2 3.54Å; W139-V176 HydrophobicContact CG-CG2 3.61Å; W139-V176 HydrophobicContact CH2-CG2 4.35Å; W139-V176 HydrophobicContact CZ2-CG2 4.21Å; W139-V176 HydrophobicContact CZ3-CG2 4.05Å; L152-V176 HydrophobicContact CD1-CG1 4.16Å; L152-V176 HydrophobicContact CD1-CG2 4.06Å; L159-V176 HydrophobicContact CD1-CG1 3.76Å; L159-V176 HydrophobicContact CD2-CG1 4.04Å; L159-V176 HydrophobicContact CG-CG1 3.86Å; V161-V176 HydrophobicContact CG2-CG2 4.15Å; V176-I178 HydrophobicContact CG1-CD1 4.35Å; V176-I178 HydrophobicContact CG1-CG1 4.1Å |
| 177 | L | 94.8 | Very high | 91.2 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131 | 176.6 | 177.7 | 68.7 | 0 | 0 | 0 | 109.1 | N122 L159 A160 | N122-L177 HydrophobicContact CB-CD1 3.79Å; N122-L177 VanDerWaalsContact ND2-CD1 3.31Å; N122-L177 WeakPolarHBondContact ND2-CD1 3.37Å; L159-L177 CarbonylContact C-O 3.57Å; L159-L177 VanDerWaalsContact CA-O 3.32Å; L159-L177 WeakPolarHBondContact CA-O 3.39Å; A160-L177 PolarHBondContact N-O 3Å; A160-L177 PolarHBondContact O-N 2.99Å |
| 178 | I | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.5 | -179.8 | -55.9 | -177.9 | 0 | 0 | 0 | 109.5 | N122 V123 N158 L159 V176 L181 E185 I206 | N122-I178 WeakPolarHBondContact CA-O 3.04Å; V123-I178 PolarHBondContact N-O 2.81Å; V123-I178 PolarHBondContact O-N 3.26Å; N158-I178 CarbonylContact O-C 3.57Å; N158-I178 WeakPolarHBondContact O-CA 3.38Å; L159-I178 HydrophobicContact CD1-CD1 4.03Å; L159-I178 HydrophobicContact CD1-CG1 3.91Å; L159-I178 HydrophobicContact CG-CG1 4.09Å; V176-I178 HydrophobicContact CG1-CD1 4.35Å; V176-I178 HydrophobicContact CG1-CG1 4.1Å; I178-L181 HydrophobicContact CG2-CD1 4.1Å; I178-E185 HydrophobicContact CD1-CB 4.03Å; I178-E185 HydrophobicContact CD1-CG 4Å; I178-E185 HydrophobicContact CG2-CB 4.16Å; I178-E185 HydrophobicContact CG2-CG 3.66Å; I178-I206 HydrophobicContact CD1-CD1 3.37Å |
| 179 | S | 90.8 | Very high | 92.5 | Very high | 47 Ų | 47 | 53 Ų | 53 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -161.7 | 125.3 | 173.3 | -163.9 | 0 | 0 | 0 | 0 | 112.3 | V120 N158 | V120-S179 WeakPolarHBondContact CG1-OG 3.04Å; N158-S179 WeakPolarHBondContact CA-O 3.04Å; N158-S179 WeakPolarHBondContact CB-O 3.43Å; N158-S179 PolarHBondContact O-N 3.3Å |
| 180 | P | 90.1 | Very high | 92.8 | Very high | 84 Ų | 84 | 46 Ų | 46 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | S | Bend | cis | -71.5 | 154.7 | -6.3 | 31.2 | -35.4 | 0 | 0 | 0 | 112.3 | N158 | N158-P180 PolarHBondContact ND2-O 3.27Å; N158-P180 VanDerWaalsContact ND2-O 3.08Å |
| 181 | L | 87.5 | Confident | 93 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | trans | -80.3 | 124.3 | 170.4 | -177.3 | 74.5 | 0 | 0 | 0 | 109.7 | V123 I178 E185 I206 L208 | V123-L181 HydrophobicContact CB-CD1 4.49Å; V123-L181 HydrophobicContact CG2-CD1 4.37Å; V123-L181 HydrophobicContact CG2-CD2 3.78Å; V123-L181 HydrophobicContact CG2-CG 4.48Å; I178-L181 HydrophobicContact CG2-CD1 4.1Å; L181-E185 HydrophobicContact CD1-CB 3.8Å; L181-I206 HydrophobicContact CD1-CG2 3.71Å; L181-L208 HydrophobicContact CD2-CD1 3.58Å; L181-L208 HydrophobicContact CG-CD1 3.86Å | ||
| 182 | T | 89.7 | Confident | 93.1 | Very high | 52 Ų | 52 | 43 Ų | 43 | 32% | 0.319 | 23% | 0.23 | S | C | . | . | trans | -120.8 | 177.7 | 177.2 | 79.5 | 0 | 0 | 0 | 0 | 111.4 | E184 E185 | T182-E184 PolarHBondContact O-N 2.95Å; T182-E184 WeakPolarHBondContact OG1-CB 3.03Å; T182-E184 PolarHBondContact OG1-N 2.86Å; T182-E185 WeakPolarHBondContact CA-OE2 3.33Å; T182-E185 VanDerWaalsContact CB-OE2 3.31Å; T182-E185 WeakPolarHBondContact CB-OE2 3.39Å; T182-E185 PolarHBondContact N-OE2 2.73Å; T182-E185 PolarHBondContact O-N 3.24Å; T182-E185 PolarHBondContact OG1-OE2 2.96Å | ||
| 183 | E | 89.1 | Confident | 93.2 | Very high | 123 Ų | 123 | 43 Ų | 43 | 58% | 0.575 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -60.2 | -29.1 | 173.2 | -67.6 | -178.9 | -164.2 | 0 | 0 | 112 | E185 E186 L208 R210 | E183-E185 VanDerWaalsContact C-N 3.27Å; E183-E185 PolarHBondContact O-N 2.04Å; E183-E186 PolarHBondContact O-N 3.32Å; E183-L208 HydrophobicContact CB-CD2 4.27Å; E183-L208 HydrophobicContact CG-CD2 3.54Å; E183-R210 IonicContact OE1-CZ 3.3Å; E183-R210 VanDerWaalsContact OE1-CZ 3.3Å; E183-R210 IonicContact OE1-NH1 3.78Å; E183-R210 IonicContact OE1-NH2 2.6Å; E183-R210 PolarHBondContact OE1-NH2 3.11Å; E183-R210 IonicContact OE2-NH2 3.67Å |
| 184 | E | 89.5 | Confident | 93.3 | Very high | 150 Ų | 150 | 43.9 Ų | 43.9 | 70% | 0.701 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -64.5 | -34.7 | -179.5 | -61.9 | -172.8 | -171.2 | 0 | 0 | 111 | K141 T182 E186 | K141-E184 PolarHBondContact NZ-O 2.04Å; T182-E184 PolarHBondContact O-N 2.95Å; T182-E184 WeakPolarHBondContact OG1-CB 3.03Å; T182-E184 PolarHBondContact OG1-N 2.86Å; E184-E186 PolarHBondContact O-N 3.26Å |
| 185 | E | 91.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -81.9 | -8 | -178.7 | -69.8 | 79.1 | -146.6 | 0 | 0 | 114.8 | N158 I178 L181 T182 E183 G187 Y189 | N158-E185 PolarHBondContact ND2-OE1 3.47Å; N158-E185 PolarHBondContact ND2-OE2 3.45Å; I178-E185 HydrophobicContact CD1-CB 4.03Å; I178-E185 HydrophobicContact CD1-CG 4Å; I178-E185 HydrophobicContact CG2-CB 4.16Å; I178-E185 HydrophobicContact CG2-CG 3.66Å; L181-E185 HydrophobicContact CD1-CB 3.8Å; T182-E185 WeakPolarHBondContact CA-OE2 3.33Å; T182-E185 VanDerWaalsContact CB-OE2 3.31Å; T182-E185 WeakPolarHBondContact CB-OE2 3.39Å; T182-E185 PolarHBondContact N-OE2 2.73Å; T182-E185 PolarHBondContact O-N 3.24Å; T182-E185 PolarHBondContact OG1-OE2 2.96Å; E183-E185 VanDerWaalsContact C-N 3.27Å; E183-E185 PolarHBondContact O-N 2.04Å; E185-G187 PolarHBondContact O-N 3.41Å; E185-Y189 WeakPolarHBondContact CA-OH 3.45Å; E185-Y189 WeakPolarHBondContact O-CE2 3.37Å; E185-Y189 PolarHBondContact O-OH 3.39Å |
| 186 | E | 90.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 36% | 0.36 | 27% | 0.268 | S | S | . | . | trans | -61.1 | 134.7 | 171.4 | -178.2 | 165.1 | -153.7 | 0 | 0 | 110.2 | E183 E184 I206 H207 L208 K218 | E183-E186 PolarHBondContact O-N 3.32Å; E184-E186 PolarHBondContact O-N 3.26Å; E186-I206 WeakPolarHBondContact CG-O 3.48Å; E186-H207 IonicContact OE1-ND1 3.91Å; E186-L208 HydrophobicContact CB-CB 4.44Å; E186-K218 IonicContact OE1-NZ 3.59Å | ||
| 187 | G | 90.9 | Very high | 93.6 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.6 | -170.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E185 Y189 A205 I206 | E185-G187 PolarHBondContact O-N 3.41Å; G187-Y189 WeakPolarHBondContact O-CD2 3.5Å; G187-A205 CarbonylContact O-C 3.56Å; G187-A205 WeakPolarHBondContact O-CA 3.23Å; G187-I206 PolarHBondContact N-O 2.81Å; G187-I206 PolarHBondContact O-N 3.48Å |
| 188 | S | 93 | Very high | 93.7 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.9 | -179.9 | -63 | 0 | 0 | 0 | 0 | 111.5 | V142 G204 | V142-S188 WeakPolarHBondContact CB-O 3.31Å; V142-S188 PolarHBondContact N-O 3.27Å; S188-G204 CarbonylContact C-O 3.01Å; S188-G204 WeakPolarHBondContact CA-O 3.32Å |
| 189 | Y | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.9 | -177.3 | -67 | -96 | 0 | 0 | 0 | 108.8 | L125 K140 K141 L152 E185 G187 I203 G204 I206 | L125-Y189 VanDerWaalsContact CD1-CB 3.43Å; L125-Y189 HydrophobicContact CD1-CD1 4.3Å; L125-Y189 HydrophobicContact CD1-CD2 3.77Å; L125-Y189 HydrophobicContact CD1-CG 3.57Å; K140-Y189 CarbonylContact O-C 3.58Å; K140-Y189 WeakPolarHBondContact O-CA 3.03Å; K141-Y189 HydrophobicContact CB-CD1 4.1Å; K141-Y189 HydrophobicContact CB-CE1 3.96Å; K141-Y189 HydrophobicContact CD-CE1 3.94Å; K141-Y189 HydrophobicContact CG-CD1 4.14Å; K141-Y189 HydrophobicContact CG-CE1 3.75Å; L152-Y189 HydrophobicContact CD1-CD1 3.68Å; L152-Y189 HydrophobicContact CD1-CE1 3.99Å; E185-Y189 WeakPolarHBondContact CA-OH 3.45Å; E185-Y189 WeakPolarHBondContact O-CE2 3.37Å; E185-Y189 PolarHBondContact O-OH 3.39Å; G187-Y189 WeakPolarHBondContact O-CD2 3.5Å; Y189-I203 CarbonylContact O-C 3.45Å; Y189-I203 VanDerWaalsContact O-CA 3.28Å; Y189-I203 WeakPolarHBondContact O-CA 3.42Å; Y189-G204 PolarHBondContact N-O 3.47Å; Y189-G204 PolarHBondContact O-N 3.23Å; Y189-I206 HydrophobicContact CD2-CD1 4.04Å; Y189-I206 HydrophobicContact CD2-CG1 3.99Å; Y189-I206 HydrophobicContact CE2-CB 4.02Å; Y189-I206 HydrophobicContact CE2-CD1 3.6Å; Y189-I206 HydrophobicContact CE2-CG1 3.8Å |
| 190 | E | 95.5 | Very high | 94.1 | Very high | 44 Ų | 44 | 63.2 Ų | 63.2 | 21% | 0.206 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.3 | 178.5 | -175.2 | -179.3 | 99.8 | 0 | 0 | 109.9 | W139 K140 V142 S201 A202 I203 | W139-E190 WeakPolarHBondContact CA-O 3.3Å; K140-E190 PolarHBondContact N-O 3.06Å; K140-E190 IonicContact NZ-OE1 2.8Å; K140-E190 PolarHBondContact O-N 3.21Å; V142-E190 HydrophobicContact CG2-CB 4.15Å; E190-S201 PolarHBondContact OE1-OG 3.01Å; E190-A202 WeakPolarHBondContact CA-O 3.46Å; E190-I203 HydrophobicContact CB-CG1 4.26Å; E190-I203 HydrophobicContact CG-CG1 4.32Å |
| 191 | C | 97.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.2 | 161.3 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | C127 W139 S201 A202 | C127-C191 HydrophobicContact CB-CB 3.46Å; C127-C191 VanDerWaalsContact CB-CB 3.46Å; C127-C191 WeakPolarHBondContact CB-SG 3.39Å; C127-C191 WeakPolarHBondContact SG-CB 3.47Å; C127-C191 CovalentContact SG-SG 2.03Å; C127-C191 PolarHBondContact SG-SG 3.29Å; W139-C191 HydrophobicContact CD2-CB 4.23Å; W139-C191 HydrophobicContact CE3-CB 3.97Å; W139-C191 HydrophobicContact CH2-CB 3.88Å; W139-C191 HydrophobicContact CZ2-CB 4.12Å; W139-C191 HydrophobicContact CZ3-CB 3.78Å; C191-S201 CarbonylContact O-C 3.52Å; C191-S201 VanDerWaalsContact O-CA 3.23Å; C191-S201 WeakPolarHBondContact O-CA 3.42Å; C191-A202 PolarHBondContact N-O 3.19Å; C191-A202 PolarHBondContact O-N 2.04Å |
| 192 | H | 97.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.3 | 175.6 | 172.8 | -101.6 | 0 | 0 | 0 | 109.4 | L137 T138 E199 S201 | L137-H192 CarbonylContact C-O 3.59Å; L137-H192 WeakPolarHBondContact CA-O 3.42Å; T138-H192 PolarHBondContact N-O 2.96Å; T138-H192 PolarHBondContact O-N 3.49Å; H192-E199 IonicContact CD2-OE2 2.94Å; H192-E199 IonicContact CE1-OE2 3.18Å; H192-E199 IonicContact NE2-OE2 3.97Å; H192-E199 PolarHBondContact NE2-OE2 2.99Å; H192-S201 PolarHBondContact CD2-OG 2.86Å; H192-S201 VanDerWaalsContact CD2-OG 3.29Å |
| 193 | A | 98 | Very high | 94.9 | Very high | 11 Ų | 11 | 65.9 Ų | 65.9 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A129 P135 V136 L137 E199 A200 | A129-A193 HydrophobicContact CB-CB 3.6Å; P135-A193 HydrophobicContact CB-CB 4.31Å; V136-A193 WeakPolarHBondContact O-CA 3.39Å; L137-A193 HydrophobicContact CD2-CB 3.58Å; A193-E199 CarbonylContact O-C 3.56Å; A193-E199 VanDerWaalsContact O-CA 3.23Å; A193-E199 WeakPolarHBondContact O-CA 3.39Å; A193-A200 PolarHBondContact N-O 3Å; A193-A200 PolarHBondContact O-N 3.24Å |
| 194 | A | 98.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P135 V136 E199 | P135-A194 CarbonylContact C-O 2.94Å; P135-A194 VanDerWaalsContact CA-O 3.31Å; P135-A194 WeakPolarHBondContact CA-O 3.29Å; V136-A194 PolarHBondContact N-O 2.93Å; V136-A194 PolarHBondContact O-N 3.47Å; A194-E199 HydrophobicContact CB-CB 4.22Å |
| 195 | N | 97.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | -175.2 | 168 | 68.9 | 13.5 | 0 | 0 | 0 | 110.4 | P133 P135 R197 G198 | P133-N195 WeakPolarHBondContact O-CB 3.09Å; P133-N195 PolarHBondContact O-ND2 2.78Å; P135-N195 HydrophobicContact CB-CB 4.27Å; N195-R197 PolarHBondContact O-N 3.37Å; N195-R197 WeakPolarHBondContact OD1-CA 3.04Å; N195-R197 WeakPolarHBondContact OD1-CB 3.36Å; N195-R197 PolarHBondContact OD1-N 3.04Å; N195-G198 PolarHBondContact N-O 3.31Å; N195-G198 PolarHBondContact O-N 2.97Å; N195-G198 PolarHBondContact OD1-N 3.18Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å; N195-G198 PolarHBondContact OD1-O 3.08Å |
| 196 | S | 97.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 56.7 Ų | 56.7 | 69% | 0.685 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -4.3 | 179.7 | 63.3 | 0 | 0 | 0 | 0 | 114.9 | P133 | P133-S196 WeakPolarHBondContact CD-OG 3.3Š|
| 197 | R | 98.1 | Very high | 95 | Very high | 206 Ų | 206 | 58.2 Ų | 58.2 | 78% | 0.777 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -20.3 | -179.7 | -57.5 | -51.6 | -54.1 | -176.8 | 1 | 113.1 | V132 N195 | V132-R197 WeakPolarHBondContact O-CG 3.15Å; N195-R197 PolarHBondContact O-N 3.37Å; N195-R197 WeakPolarHBondContact OD1-CA 3.04Å; N195-R197 WeakPolarHBondContact OD1-CB 3.36Å; N195-R197 PolarHBondContact OD1-N 3.04Å |
| 198 | G | 96.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 58.7 Ų | 58.7 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.3 | -166.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N195 | N195-G198 PolarHBondContact N-O 3.31Å; N195-G198 PolarHBondContact O-N 2.97Å; N195-G198 PolarHBondContact OD1-N 3.18Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å; N195-G198 PolarHBondContact OD1-O 3.08Å |
| 199 | E | 97.6 | Very high | 94.2 | Very high | 148 Ų | 148 | 59.4 Ų | 59.4 | 69% | 0.692 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 154.6 | -177.1 | 60 | -178.7 | 177 | 0 | 0 | 112.1 | H192 A193 A194 | H192-E199 IonicContact CD2-OE2 2.94Å; H192-E199 IonicContact CE1-OE2 3.18Å; H192-E199 IonicContact NE2-OE2 3.97Å; H192-E199 PolarHBondContact NE2-OE2 2.99Å; A193-E199 CarbonylContact O-C 3.56Å; A193-E199 VanDerWaalsContact O-CA 3.23Å; A193-E199 WeakPolarHBondContact O-CA 3.39Å; A194-E199 HydrophobicContact CB-CB 4.22Å |
| 200 | A | 95.9 | Very high | 93.5 | Very high | 66 Ų | 66 | 68 Ų | 68 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A193 | A193-A200 PolarHBondContact N-O 3Å; A193-A200 PolarHBondContact O-N 3.24Å |
| 201 | S | 95.7 | Very high | 92.6 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 46% | 0.462 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.8 | 175.8 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | E190 C191 H192 | E190-S201 PolarHBondContact OE1-OG 3.01Å; C191-S201 CarbonylContact O-C 3.52Å; C191-S201 VanDerWaalsContact O-CA 3.23Å; C191-S201 WeakPolarHBondContact O-CA 3.42Å; H192-S201 PolarHBondContact CD2-OG 2.86Å; H192-S201 VanDerWaalsContact CD2-OG 3.29Å |
| 202 | A | 95.1 | Very high | 91.4 | Very high | 60 Ų | 60 | 73.1 Ų | 73.1 | 50% | 0.496 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E190 C191 | E190-A202 WeakPolarHBondContact CA-O 3.46Å; C191-A202 PolarHBondContact N-O 3.19Å; C191-A202 PolarHBondContact O-N 2.04Å |
| 203 | I | 93.4 | Very high | 90.2 | Very high | 109 Ų | 109 | 77.3 Ų | 77.3 | 56% | 0.559 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.2 | -178.2 | -61.8 | 174.9 | 0 | 0 | 0 | 110 | Y189 E190 | Y189-I203 CarbonylContact O-C 3.45Å; Y189-I203 VanDerWaalsContact O-CA 3.28Å; Y189-I203 WeakPolarHBondContact O-CA 3.42Å; E190-I203 HydrophobicContact CB-CG1 4.26Å; E190-I203 HydrophobicContact CG-CG1 4.32Å |
| 204 | G | 92.4 | Very high | 88.8 | Confident | 28 Ų | 28 | 80.3 Ų | 80.3 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 157.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S188 Y189 | S188-G204 CarbonylContact C-O 3.01Å; S188-G204 WeakPolarHBondContact CA-O 3.32Å; Y189-G204 PolarHBondContact N-O 3.47Å; Y189-G204 PolarHBondContact O-N 3.23Å |
| 205 | A | 91.3 | Very high | 87.3 | Confident | 50 Ų | 50 | 82.9 Ų | 82.9 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G187 | G187-A205 CarbonylContact O-C 3.56Å; G187-A205 WeakPolarHBondContact O-CA 3.23Å |
| 206 | I | 90.7 | Very high | 85.6 | Confident | 6 Ų | 6 | 86.4 Ų | 86.4 | 3% | 0.031 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.3 | 169.5 | -62 | -178.2 | 0 | 0 | 0 | 107.2 | V123 L125 I178 L181 E186 G187 Y189 | V123-I206 HydrophobicContact CG1-CD1 4.07Å; V123-I206 HydrophobicContact CG1-CG1 4.24Å; V123-I206 HydrophobicContact CG1-CG2 4.32Å; L125-I206 HydrophobicContact CD1-CD1 3.98Å; L125-I206 HydrophobicContact CD1-CG1 4.07Å; L125-I206 HydrophobicContact CD2-CG1 4.09Å; L125-I206 HydrophobicContact CG-CD1 4.1Å; L125-I206 HydrophobicContact CG-CG1 4.16Å; I178-I206 HydrophobicContact CD1-CD1 3.37Å; L181-I206 HydrophobicContact CD1-CG2 3.71Å; E186-I206 WeakPolarHBondContact CG-O 3.48Å; G187-I206 PolarHBondContact N-O 2.81Å; G187-I206 PolarHBondContact O-N 3.48Å; Y189-I206 HydrophobicContact CD2-CD1 4.04Å; Y189-I206 HydrophobicContact CD2-CG1 3.99Å; Y189-I206 HydrophobicContact CE2-CB 4.02Å; Y189-I206 HydrophobicContact CE2-CD1 3.6Å; Y189-I206 HydrophobicContact CE2-CG1 3.8Å |
| 207 | H | 87.6 | Confident | 83.7 | Confident | 109 Ų | 109 | 89.2 Ų | 89.2 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | trans | -117.8 | 124 | 175.4 | -65 | -59.1 | 0 | 0 | 0 | 109.1 | E186 V209 | E186-H207 IonicContact OE1-ND1 3.91Å; H207-V209 PolarHBondContact O-N 3.31Å | ||
| 208 | L | 85.4 | Confident | 81.7 | Confident | 35 Ų | 35 | 84.5 Ų | 84.5 | 18% | 0.183 | 47% | 0.47 | C | S | . | . | trans | -77.6 | 123.9 | 172.7 | -175.5 | 69.5 | 0 | 0 | 0 | 108.7 | L181 E183 E186 | L181-L208 HydrophobicContact CD2-CD1 3.58Å; L181-L208 HydrophobicContact CG-CD1 3.86Å; E183-L208 HydrophobicContact CB-CD2 4.27Å; E183-L208 HydrophobicContact CG-CD2 3.54Å; E186-L208 HydrophobicContact CB-CB 4.44Å | ||
| 209 | V | 82.8 | Confident | 79.9 | Confident | 66 Ų | 66 | 86.8 Ų | 86.8 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | trans | -111.5 | 123 | 178.8 | 174.9 | 0 | 0 | 0 | 0 | 107.7 | H207 S211 D214 I215 | H207-V209 PolarHBondContact O-N 3.31Å; V209-S211 WeakPolarHBondContact CG1-O 3.45Å; V209-D214 HydrophobicContact CG1-CB 4.29Å; V209-I215 HydrophobicContact CB-CG1 4.33Å; V209-I215 HydrophobicContact CG1-CD1 3.91Å; V209-I215 HydrophobicContact CG1-CG1 3.47Å; V209-I215 VanDerWaalsContact CG1-CG1 3.47Å; V209-I215 HydrophobicContact CG2-CG1 3.93Å | ||
| 210 | R | 79.1 | Confident | 77.6 | Confident | 182 Ų | 182 | 81.8 Ų | 81.8 | 69% | 0.687 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -96.2 | -27.5 | -178.8 | -60 | -176.2 | -169.9 | -175.4 | 4.4 | 112.3 | E183 D214 | E183-R210 IonicContact OE1-CZ 3.3Å; E183-R210 VanDerWaalsContact OE1-CZ 3.3Å; E183-R210 IonicContact OE1-NH1 3.78Å; E183-R210 IonicContact OE1-NH2 2.6Å; E183-R210 PolarHBondContact OE1-NH2 3.11Å; E183-R210 IonicContact OE2-NH2 3.67Å; R210-D214 PolarHBondContact N-OD2 3.41Å |
| 211 | S | 76.2 | Confident | 75.5 | Confident | 51 Ų | 51 | 85.4 Ų | 85.4 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -138.2 | 154.9 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | V209 D213 D214 | V209-S211 WeakPolarHBondContact CG1-O 3.45Å; S211-D213 PolarHBondContact O-N 3.03Å; S211-D213 PolarHBondContact OG-N 2.04Å; S211-D213 PolarHBondContact OG-OD2 2.7Å; S211-D214 PolarHBondContact N-OD2 2.9Å; S211-D214 VanDerWaalsContact N-OD2 3.11Å; S211-D214 WeakPolarHBondContact O-CB 3.49Å; S211-D214 PolarHBondContact O-N 3.02Å; S211-D214 VanDerWaalsContact O-N 3.08Å |
| 212 | V | 71.9 | Confident | 73.3 | Confident | 105 Ų | 105 | 89.9 Ų | 89.9 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.9 | -29.4 | 175.1 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | D214 I215 | V212-D214 VanDerWaalsContact C-N 3.27Å; V212-D214 PolarHBondContact O-N 2.61Å; V212-I215 WeakPolarHBondContact O-CB 3.4Å; V212-I215 PolarHBondContact O-N 3.26Å |
| 213 | D | 73.8 | Confident | 70.9 | Confident | 114 Ų | 114 | 91.5 Ų | 91.5 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.2 | -30.1 | 178.4 | -56.2 | -49.8 | 0 | 0 | 0 | 113 | S211 I215 I216 F217 | S211-D213 PolarHBondContact O-N 3.03Å; S211-D213 PolarHBondContact OG-N 2.04Å; S211-D213 PolarHBondContact OG-OD2 2.7Å; D213-I215 PolarHBondContact O-N 3.36Å; D213-I216 PolarHBondContact O-N 3.05Å; D213-F217 PolarHBondContact O-N 2.87Å |
| 214 | D | 66.8 | Low | 68.5 | Low | 73 Ų | 73 | 90.2 Ų | 90.2 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.9 | -27.3 | -180 | -61 | -33.6 | 0 | 0 | 0 | 111.9 | V209 R210 S211 V212 K218 | V209-D214 HydrophobicContact CG1-CB 4.29Å; R210-D214 PolarHBondContact N-OD2 3.41Å; S211-D214 PolarHBondContact N-OD2 2.9Å; S211-D214 VanDerWaalsContact N-OD2 3.11Å; S211-D214 WeakPolarHBondContact O-CB 3.49Å; S211-D214 PolarHBondContact O-N 3.02Å; S211-D214 VanDerWaalsContact O-N 3.08Å; V212-D214 VanDerWaalsContact C-N 3.27Å; V212-D214 PolarHBondContact O-N 2.61Å; D214-K218 PolarHBondContact O-N 3.22Å |
| 215 | I | 67 | Low | 66.2 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.9 | -44.9 | 178.3 | -54 | 179.4 | 0 | 0 | 0 | 110 | V209 V212 D213 F217 T219 | V209-I215 HydrophobicContact CB-CG1 4.33Å; V209-I215 HydrophobicContact CG1-CD1 3.91Å; V209-I215 HydrophobicContact CG1-CG1 3.47Å; V209-I215 VanDerWaalsContact CG1-CG1 3.47Å; V209-I215 HydrophobicContact CG2-CG1 3.93Å; V212-I215 WeakPolarHBondContact O-CB 3.4Å; V212-I215 PolarHBondContact O-N 3.26Å; D213-I215 PolarHBondContact O-N 3.36Å; I215-F217 PolarHBondContact O-N 3.42Å; I215-T219 PolarHBondContact O-N 3.49Å; I215-T219 VanDerWaalsContact O-N 3.17Å; I215-T219 PolarHBondContact O-OG1 3.43Å |
| 216 | I | 61.6 | Low | 63.8 | Low | 117 Ų | 117 | 100.1 Ų | 100.1 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | -176.7 | -59 | 175.5 | 0 | 0 | 0 | 110 | D213 T219 G220 | D213-I216 PolarHBondContact O-N 3.05Å; I216-T219 PolarHBondContact O-N 3.03Å; I216-G220 PolarHBondContact O-N 3.06Å |
| 217 | F | 57.8 | Low | 61.3 | Low | 157 Ų | 157 | 111.1 Ų | 111.1 | 69% | 0.689 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.7 | -41.5 | -178.5 | -161.4 | -91.1 | 0 | 0 | 0 | 113 | D213 I215 K221 | D213-F217 PolarHBondContact O-N 2.87Å; I215-F217 PolarHBondContact O-N 3.42Å; F217-K221 PolarHBondContact O-N 3.36Å |
| 218 | K | 57.9 | Low | 60 | Low | 108 Ų | 108 | 111.2 Ų | 111.2 | 47% | 0.47 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.1 | -35.7 | 177.1 | -74.7 | -170.2 | 177.6 | 179.4 | 0 | 112.4 | E186 D214 | E186-K218 IonicContact OE1-NZ 3.59Å; D214-K218 PolarHBondContact O-N 3.22Å |
| 219 | T | 58.7 | Low | 58.6 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.2 | -37.9 | 179.7 | -44.7 | 0 | 0 | 0 | 0 | 111.7 | I215 I216 K221 Q222 | I215-T219 PolarHBondContact O-N 3.49Å; I215-T219 VanDerWaalsContact O-N 3.17Å; I215-T219 PolarHBondContact O-OG1 3.43Å; I216-T219 PolarHBondContact O-N 3.03Å; T219-K221 VanDerWaalsContact C-N 3.32Å; T219-K221 PolarHBondContact O-N 3.42Å; T219-Q222 PolarHBondContact O-N 3.11Å |
| 220 | G | 48 | Very low | 57.3 | Low | 44 Ų | 44 | 117.9 Ų | 117.9 | 45% | 0.454 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.8 | -29.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I216 S224 | I216-G220 PolarHBondContact O-N 3.06Å; G220-S224 PolarHBondContact O-OG 3.35Å |
| 221 | K | 51.8 | Low | 56 | Low | 141 Ų | 141 | 114.2 Ų | 114.2 | 61% | 0.613 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76.4 | -31 | 178.3 | -151.5 | 171.9 | -174.7 | 177.8 | 0 | 113.1 | F217 T219 S223 S224 | F217-K221 PolarHBondContact O-N 3.36Å; T219-K221 VanDerWaalsContact C-N 3.32Å; T219-K221 PolarHBondContact O-N 3.42Å; K221-S223 VanDerWaalsContact C-N 3.3Å; K221-S223 PolarHBondContact O-N 3.47Å; K221-S224 PolarHBondContact O-N 3.15Å; K221-S224 PolarHBondContact O-OG 2.82Å |
| 222 | Q | 49.5 | Very low | 54.7 | Low | 160 Ų | 160 | 118.1 Ų | 118.1 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70 | -25.1 | 172.8 | -81 | -173.7 | -8.7 | 0 | 0 | 113.4 | T219 | T219-Q222 PolarHBondContact O-N 3.11Å |
| 223 | S | 44.5 | Very low | 53.6 | Low | 95 Ų | 95 | 119 Ų | 119 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -14 | 178.1 | -172.5 | 0 | 0 | 0 | 0 | 113.9 | K221 | K221-S223 VanDerWaalsContact C-N 3.3Å; K221-S223 PolarHBondContact O-N 3.47Å |
| 224 | S | 44.3 | Very low | 52.1 | Low | 81 Ų | 81 | 119.4 Ų | 119.4 | 57% | 0.566 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -95.9 | -2.7 | -174.1 | 20.5 | 0 | 0 | 0 | 0 | 114.5 | G220 K221 | G220-S224 PolarHBondContact O-OG 3.35Å; K221-S224 PolarHBondContact O-N 3.15Å; K221-S224 PolarHBondContact O-OG 2.82Å |
| 225 | D | 43.9 | Very low | 51 | Low | 139 Ų | 139 | 122.9 Ų | 122.9 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -101.9 | 17.1 | 178.1 | -69.7 | -31.9 | 0 | 0 | 0 | 113.4 | ||
| 226 | I | 40.8 | Very low | 49.7 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -124.3 | 73.5 | 170.5 | -53.8 | 169.7 | 0 | 0 | 0 | 109.1 | ||||
| 227 | I | 37.2 | Very low | 48.6 | Very low | 237 Ų | 237 | 126.9 Ų | 126.9 | 100% | 1.215 | 68% | 0.677 | S | S | * | * | trans | -145.8 | 0 | 150.3 | -56 | -174.4 | 0 | 0 | 0 | 107.8 |
Retrieved 227 of 227 residues in 196.8 ms
(Link to these results)