| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48 | Very low | 50.3 | Low | 222 Ų | 222 | 120.5 Ų | 120.5 | 100% | 1.094 | 64% | 0.638 | S | S | * | * | 0 | -18.5 | 0 | -106.7 | 162.4 | 70.1 | 0 | 0 | 115.1 | I3 | M1-I3 PolarHBondContact O-N 2.84Š| |||
| 2 | H | 48.4 | Very low | 50.1 | Low | 164 Ų | 164 | 118.4 Ų | 118.4 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.1 | -16.8 | -177.1 | -68.6 | -62.4 | 0 | 0 | 0 | 116.5 | S5 | H2-S5 PolarHBondContact O-OG 3.33Å |
| 3 | I | 47.3 | Very low | 49.4 | Very low | 147 Ų | 147 | 116.7 Ų | 116.7 | 75% | 0.754 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74 | -31.3 | -178.8 | -62.6 | 169.4 | 0 | 0 | 0 | 111.3 | M1 L7 | M1-I3 PolarHBondContact O-N 2.84Å; I3-L7 PolarHBondContact O-N 3.34Å |
| 4 | C | 43.6 | Very low | 48.9 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 70% | 0.703 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.1 | -33.2 | -177.9 | -141.6 | 0 | 0 | 0 | 0 | 112.4 | L8 | C4-L8 PolarHBondContact O-N 2.74Å |
| 5 | S | 52.6 | Low | 48.5 | Very low | 58 Ų | 58 | 117.3 Ų | 117.3 | 41% | 0.406 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.3 | -36 | 177.1 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | H2 L8 L9 | H2-S5 PolarHBondContact O-OG 3.33Å; S5-L8 PolarHBondContact O-N 3.48Å; S5-L9 WeakPolarHBondContact O-CD1 3.4Å; S5-L9 PolarHBondContact O-N 3.08Å; S5-L9 VanDerWaalsContact O-N 3.14Å |
| 6 | L | 52.8 | Low | 47.8 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 60% | 0.597 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.9 | -40.1 | 178.3 | -124.6 | 94.2 | 0 | 0 | 0 | 111.8 | L8 L9 L10 | L6-L8 VanDerWaalsContact C-N 3.34Å; L6-L9 PolarHBondContact O-N 3.29Å; L6-L10 WeakPolarHBondContact O-CB 3.18Å; L6-L10 PolarHBondContact O-N 3.12Å |
| 7 | L | 53.2 | Low | 47.3 | Very low | 107 Ų | 107 | 117 Ų | 117 | 56% | 0.56 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.8 | -38.7 | 179.1 | -138.9 | 89.2 | 0 | 0 | 0 | 111.7 | I3 L10 L11 | I3-L7 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.48Å; L7-L11 HydrophobicContact CD2-CD1 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 WeakPolarHBondContact O-CG 3.17Å; L7-L11 PolarHBondContact O-N 3.22Å |
| 8 | L | 56.3 | Low | 47.6 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 59% | 0.592 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.6 | -41.1 | 177.4 | -156.2 | 78 | 0 | 0 | 0 | 111.6 | C4 S5 L6 L11 L12 | C4-L8 PolarHBondContact O-N 2.74Å; S5-L8 PolarHBondContact O-N 3.48Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 2.98Å; L8-L12 HydrophobicContact CG-CD1 4.26Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 PolarHBondContact O-N 3.43Å |
| 9 | L | 52.4 | Low | 48.8 | Very low | 106 Ų | 106 | 112.6 Ų | 112.6 | 56% | 0.555 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.3 | -38.9 | 174.1 | -97 | 134.2 | 0 | 0 | 0 | 112.6 | S5 L6 N13 | S5-L9 WeakPolarHBondContact O-CD1 3.4Å; S5-L9 PolarHBondContact O-N 3.08Å; S5-L9 VanDerWaalsContact O-N 3.14Å; L6-L9 PolarHBondContact O-N 3.29Å; L9-N13 WeakPolarHBondContact O-CB 3.41Å; L9-N13 PolarHBondContact O-N 3.39Å; L9-N13 PolarHBondContact O-ND2 3.19Å |
| 10 | L | 50.5 | Low | 50.7 | Low | 99 Ų | 99 | 110.2 Ų | 110.2 | 52% | 0.518 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.7 | -42.7 | 173.9 | -81.8 | 157.3 | 0 | 0 | 0 | 111.6 | L6 L7 N13 V14 | L6-L10 WeakPolarHBondContact O-CB 3.18Å; L6-L10 PolarHBondContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.48Å; L10-N13 PolarHBondContact O-N 2.82Å; L10-V14 WeakPolarHBondContact O-CB 3.42Å; L10-V14 VanDerWaalsContact O-CG2 3.24Å; L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 3.26Å |
| 11 | L | 48.6 | Very low | 52.7 | Low | 92 Ų | 92 | 105.2 Ų | 105.2 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.7 | -39.4 | 175.6 | -80.7 | 158.9 | 0 | 0 | 0 | 112.2 | L7 L8 V14 L15 | L7-L11 HydrophobicContact CD2-CD1 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 WeakPolarHBondContact O-CG 3.17Å; L7-L11 PolarHBondContact O-N 3.22Å; L8-L11 PolarHBondContact O-N 2.98Å; L11-V14 PolarHBondContact O-N 3.23Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.14Å |
| 12 | L | 47.9 | Very low | 54.7 | Low | 95 Ų | 95 | 94.6 Ų | 94.6 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -42 | 172.9 | -87.6 | 151.4 | 0 | 0 | 0 | 111.5 | L8 L15 C16 | L8-L12 HydrophobicContact CG-CD1 4.26Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 2.84Å; L12-C16 WeakPolarHBondContact O-CB 3.16Å; L12-C16 PolarHBondContact O-N 2.93Å |
| 13 | N | 40.9 | Very low | 56.8 | Low | 96 Ų | 96 | 87.1 Ų | 87.1 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.6 | -34.9 | 175.2 | -80.2 | -26.1 | 0 | 0 | 0 | 113 | L9 L10 C16 N17 | L9-N13 WeakPolarHBondContact O-CB 3.41Å; L9-N13 PolarHBondContact O-N 3.39Å; L9-N13 PolarHBondContact O-ND2 3.19Å; L10-N13 PolarHBondContact O-N 2.82Å; N13-C16 PolarHBondContact O-N 3.47Å; N13-N17 WeakPolarHBondContact O-CB 3.17Å; N13-N17 PolarHBondContact O-N 3.38Å |
| 14 | V | 42.7 | Very low | 58.9 | Low | 106 Ų | 106 | 82 Ų | 82 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.2 | -36.8 | 176 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L10 L11 | L10-V14 WeakPolarHBondContact O-CB 3.42Å; L10-V14 VanDerWaalsContact O-CG2 3.24Å; L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 3.26Å; L11-V14 PolarHBondContact O-N 3.23Å |
| 15 | L | 41.8 | Very low | 61.2 | Low | 136 Ų | 136 | 77.7 Ų | 77.7 | 71% | 0.712 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -74.7 | -30.3 | 173.8 | -74.6 | 162.6 | 0 | 0 | 0 | 112.6 | L11 L12 | L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.14Å; L12-L15 PolarHBondContact O-N 2.84Å |
| 16 | C | 38.3 | Very low | 63.1 | Low | 94 Ų | 94 | 75 Ų | 75 | 64% | 0.635 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -83.4 | -11.8 | 177.6 | -84.2 | 0 | 0 | 0 | 0 | 114.7 | L12 N13 A18 | L12-C16 WeakPolarHBondContact O-CB 3.16Å; L12-C16 PolarHBondContact O-N 2.93Å; N13-C16 PolarHBondContact O-N 3.47Å; C16-A18 PolarHBondContact O-N 3.09Å |
| 17 | N | 39.8 | Very low | 64.9 | Low | 136 Ų | 136 | 70.3 Ų | 70.3 | 73% | 0.727 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 2.1 | 177 | -91.1 | -13.7 | 0 | 0 | 0 | 114 | N13 S19 | N13-N17 WeakPolarHBondContact O-CB 3.17Å; N13-N17 PolarHBondContact O-N 3.38Å; N17-S19 PolarHBondContact O-N 2.9Å |
| 18 | A | 51.7 | Low | 66.8 | Low | 78 Ų | 78 | 66 Ų | 66 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -67.5 | 99.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | C16 E20 | C16-A18 PolarHBondContact O-N 3.09Å; A18-E20 PolarHBondContact O-N 3.25Å; A18-E20 VanDerWaalsContact O-N 3.11Å |
| 19 | S | 71.4 | Confident | 68.4 | Low | 73 Ų | 73 | 65.8 Ų | 65.8 | 51% | 0.51 | 37% | 0.367 | S | S | . | . | trans | -61.1 | 115.8 | 173.9 | 49.9 | 0 | 0 | 0 | 0 | 109 | N17 | N17-S19 PolarHBondContact O-N 2.9Š| ||
| 20 | E | 86.4 | Confident | 70.3 | Confident | 64 Ų | 64 | 64 Ų | 64 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | trans | -62.1 | 130.9 | -179.8 | -170.3 | 62.5 | -143.2 | 0 | 0 | 109.6 | A18 R24 A255 P256 L258 | A18-E20 PolarHBondContact O-N 3.25Å; A18-E20 VanDerWaalsContact O-N 3.11Å; E20-R24 IonicContact OE1-NH2 2.78Å; E20-R24 PolarHBondContact OE1-NH2 3.3Å; E20-A255 HydrophobicContact CB-CB 4.01Å; E20-A255 HydrophobicContact CG-CB 4.44Å; E20-A255 WeakPolarHBondContact O-CB 3.17Å; E20-P256 WeakPolarHBondContact CG-O 3.26Å; E20-L258 PolarHBondContact OE1-N 2.87Å | ||
| 21 | P | 91.5 | Very high | 72.2 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.032 | 34% | 0.335 | C | S | . | . | trans | -71.3 | 140.1 | -177.1 | 26.5 | -36.8 | 0 | 0 | 0 | 113.1 | R24 V221 A234 Y235 | P21-R24 HydrophobicContact CB-CG 4.27Å; P21-R24 HydrophobicContact CG-CG 3.92Å; P21-R24 VanDerWaalsContact CG-NE 3.25Å; P21-V221 HydrophobicContact CB-CG2 3.97Å; P21-V221 HydrophobicContact CG-CG2 4.5Å; P21-A234 HydrophobicContact CB-CB 3.88Å; P21-A234 HydrophobicContact CG-CB 3.93Å; P21-Y235 WeakPolarHBondContact CA-O 3.12Å; P21-Y235 VanDerWaalsContact CB-O 3.23Å; P21-Y235 WeakPolarHBondContact CB-O 3.1Å | ||
| 22 | G | 91.6 | Very high | 74.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -76.7 | -27.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y235 N236 M275 S276 | G22-Y235 PolarHBondContact N-O 3.02Å; G22-Y235 VanDerWaalsContact N-O 3.12Å; G22-N236 VanDerWaalsContact CA-O 3.29Å; G22-N236 WeakPolarHBondContact CA-O 3.47Å; G22-N236 PolarHBondContact N-O 2.85Å; G22-M275 WeakPolarHBondContact O-CA 3.43Å; G22-S276 WeakPolarHBondContact CA-OG 2.96Å; G22-S276 PolarHBondContact O-N 2.95Å; G22-S276 PolarHBondContact O-OG 3.48Å |
| 23 | I | 92.2 | Very high | 76.2 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.5 | -178.5 | -61.1 | 169.8 | 0 | 0 | 0 | 109.9 | L216 Y235 L273 L274 M275 | I23-L216 HydrophobicContact CD1-CD1 4.04Å; I23-L216 HydrophobicContact CD1-CD2 3.96Å; I23-L216 HydrophobicContact CD1-CG 4.46Å; I23-Y235 HydrophobicContact CG2-CD2 4.21Å; I23-Y235 PolarHBondContact N-O 3.44Å; I23-Y235 PolarHBondContact O-N 3.09Å; I23-L273 HydrophobicContact CG2-CD2 4.41Å; I23-L273 HydrophobicContact CG2-CG 4.41Å; I23-L274 CarbonylContact C-O 3.54Å; I23-L274 VanDerWaalsContact CA-O 3.24Å; I23-L274 WeakPolarHBondContact CA-O 3.26Å; I23-L274 WeakPolarHBondContact CG2-O 3.07Å; I23-M275 HydrophobicContact CG1-CB 4.34Å; I23-M275 HydrophobicContact CG1-CG 4.12Å |
| 24 | R | 91.7 | Very high | 78.6 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 145.7 | 168.5 | -67.9 | -174.9 | -176.9 | -139.8 | 9.9 | 110.6 | E20 P21 E232 T233 A234 L258 T260 L274 | E20-R24 IonicContact OE1-NH2 2.78Å; E20-R24 PolarHBondContact OE1-NH2 3.3Å; P21-R24 HydrophobicContact CB-CG 4.27Å; P21-R24 HydrophobicContact CG-CG 3.92Å; P21-R24 VanDerWaalsContact CG-NE 3.25Å; R24-E232 WeakPolarHBondContact CD-OE1 3.38Å; R24-E232 IonicContact CZ-OE1 2.87Å; R24-E232 IonicContact NH1-OE1 3.45Å; R24-E232 PolarHBondContact NH1-OE1 2.97Å; R24-T233 CarbonylContact C-O 3.56Å; R24-T233 WeakPolarHBondContact CA-O 3.19Å; R24-A234 HydrophobicContact CG-CB 4.31Å; R24-L258 HydrophobicContact CB-CD2 4.37Å; R24-L258 VanDerWaalsContact CD-O 3.23Å; R24-L258 WeakPolarHBondContact CD-O 3.25Å; R24-L258 HydrophobicContact CG-CD2 4Å; R24-L258 HydrophobicContact CG-CG 4.33Å; R24-L258 PolarHBondContact NE-O 2.81Å; R24-L258 PolarHBondContact NH2-O 2.83Å; R24-T260 WeakPolarHBondContact CD-OG1 3.49Å; R24-L274 HydrophobicContact CB-CB 4.36Å; R24-L274 PolarHBondContact N-O 2.77Å; R24-L274 PolarHBondContact O-N 2.81Å |
| 25 | V | 90.9 | Very high | 80.8 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.7 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | L27 E232 T233 Y235 V271 H272 L273 | V25-L27 HydrophobicContact CG1-CD1 3.92Å; V25-E232 CarbonylContact O-C 3.59Å; V25-E232 WeakPolarHBondContact O-CA 3.44Å; V25-T233 PolarHBondContact N-O 3.22Å; V25-T233 PolarHBondContact O-N 3.49Å; V25-Y235 HydrophobicContact CB-CE2 4.08Å; V25-Y235 HydrophobicContact CG2-CD2 4.24Å; V25-Y235 HydrophobicContact CG2-CE2 3.67Å; V25-V271 HydrophobicContact CG1-CG1 3.83Å; V25-H272 WeakPolarHBondContact CA-O 3.07Å; V25-L273 HydrophobicContact CG2-CG 4.31Å |
| 26 | L | 91.8 | Very high | 83.1 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.3 | 175.2 | 177.1 | 70.2 | 0 | 0 | 0 | 108.7 | T28 Y230 E232 T260 D261 V271 H272 | L26-T28 HydrophobicContact CD2-CG2 4.48Å; L26-Y230 HydrophobicContact CD1-CD2 4.15Å; L26-Y230 HydrophobicContact CD1-CG 4.36Å; L26-E232 HydrophobicContact CD1-CB 4.16Å; L26-T260 HydrophobicContact CB-CG2 4.08Å; L26-T260 HydrophobicContact CD1-CG2 4.4Å; L26-T260 HydrophobicContact CD2-CG2 3.91Å; L26-T260 HydrophobicContact CG-CG2 4.36Å; L26-D261 VanDerWaalsContact CD2-O 3.25Å; L26-D261 WeakPolarHBondContact CD2-O 3.42Å; L26-V271 CarbonylContact O-C 3.58Å; L26-V271 VanDerWaalsContact O-CA 3.28Å; L26-V271 WeakPolarHBondContact O-CA 3.28Å; L26-H272 HydrophobicContact CB-CB 4.32Å; L26-H272 PolarHBondContact N-O 3.35Å; L26-H272 PolarHBondContact O-N 2.85Å |
| 27 | L | 91.2 | Very high | 85.5 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.7 | 161.6 | -86.7 | 65.9 | 0 | 0 | 0 | 107.8 | V25 I32 V35 F201 Y230 F231 M270 V271 | V25-L27 HydrophobicContact CG1-CD1 3.92Å; L27-I32 HydrophobicContact CB-CG1 4.3Å; L27-V35 HydrophobicContact CD2-CG2 4.12Å; L27-F201 HydrophobicContact CD2-CE1 4.46Å; L27-Y230 CarbonylContact O-C 3.52Å; L27-Y230 VanDerWaalsContact O-CA 3.3Å; L27-Y230 WeakPolarHBondContact O-CA 3.28Å; L27-F231 HydrophobicContact CB-CB 4.13Å; L27-F231 PolarHBondContact N-O 2.9Å; L27-F231 PolarHBondContact O-N 2.78Å; L27-M270 WeakPolarHBondContact CA-O 3.47Å; L27-V271 HydrophobicContact CD1-CG1 4.41Å; L27-V271 HydrophobicContact CD1-CG2 4.17Å; L27-V271 HydrophobicContact CG-CG2 4.15Å |
| 28 | T | 92.5 | Very high | 87.8 | Confident | 17 Ų | 17 | 33 Ų | 33 | 10% | 0.104 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 175.3 | 174.4 | 64.3 | 0 | 0 | 0 | 0 | 110.4 | L26 T30 G31 I32 D229 P264 A269 M270 | L26-T28 HydrophobicContact CD2-CG2 4.48Å; T28-T30 VanDerWaalsContact C-N 3.3Å; T28-T30 PolarHBondContact O-N 3.01Å; T28-T30 PolarHBondContact OG1-OG1 3.4Å; T28-G31 CarbonylContact O-C 3.52Å; T28-G31 WeakPolarHBondContact O-CA 3.17Å; T28-G31 PolarHBondContact O-N 2.86Å; T28-I32 WeakPolarHBondContact O-CG1 3.43Å; T28-I32 PolarHBondContact O-N 2.72Å; T28-D229 CarbonylContact C-O 3.57Å; T28-P264 HydrophobicContact CG2-CG 4.26Å; T28-A269 VanDerWaalsContact CG2-O 3.24Å; T28-A269 WeakPolarHBondContact CG2-O 3.14Å; T28-A269 PolarHBondContact OG1-O 2.87Å; T28-M270 PolarHBondContact N-O 3.01Å; T28-M270 WeakPolarHBondContact OG1-CA 3.14Å; T28-M270 PolarHBondContact OG1-O 3.02Å |
| 29 | K | 91.5 | Very high | 89.5 | Confident | 108 Ų | 108 | 29.5 Ų | 29.5 | 47% | 0.47 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -52.1 | -49.2 | 176.5 | -172.6 | 179.7 | -174.5 | 128.4 | 0 | 112.2 | G31 I32 D33 D229 | K29-G31 VanDerWaalsContact C-N 3.26Å; K29-G31 PolarHBondContact O-N 2.95Å; K29-I32 WeakPolarHBondContact O-CB 3.37Å; K29-I32 PolarHBondContact O-N 2Å; K29-I32 VanDerWaalsContact O-N 3.16Å; K29-D33 VanDerWaalsContact O-CG 3.27Å; K29-D33 PolarHBondContact O-N 3.38Å; K29-D229 VanDerWaalsContact CA-O 3.27Å; K29-D229 WeakPolarHBondContact CA-O 3.27Å; K29-D229 HydrophobicContact CB-CB 4.13Å; K29-D229 WeakPolarHBondContact CB-O 3.48Å; K29-D229 HydrophobicContact CD-CB 4.35Å; K29-D229 WeakPolarHBondContact CD-OD1 3.3Å; K29-D229 WeakPolarHBondContact CE-OD1 3.34Å; K29-D229 HydrophobicContact CG-CB 4.37Å; K29-D229 PolarHBondContact N-O 2.81Å; K29-D229 IonicContact NZ-OD1 3.82Å; K29-D229 PolarHBondContact NZ-OD1 2.62Å |
| 30 | T | 90.7 | Very high | 90.2 | Very high | 67 Ų | 67 | 29.2 Ų | 29.2 | 41% | 0.411 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.4 | -36.7 | 179.2 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | T28 D33 E34 | T28-T30 VanDerWaalsContact C-N 3.3Å; T28-T30 PolarHBondContact O-N 3.01Å; T28-T30 PolarHBondContact OG1-OG1 3.4Å; T30-D33 PolarHBondContact O-N 3.08Å; T30-E34 PolarHBondContact O-N 3.31Å |
| 31 | G | 90.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T28 K29 E34 V35 M270 | T28-G31 CarbonylContact O-C 3.52Å; T28-G31 WeakPolarHBondContact O-CA 3.17Å; T28-G31 PolarHBondContact O-N 2.86Å; K29-G31 VanDerWaalsContact C-N 3.26Å; K29-G31 PolarHBondContact O-N 2.95Å; G31-E34 PolarHBondContact O-N 3.39Å; G31-V35 WeakPolarHBondContact O-CB 3.24Å; G31-V35 WeakPolarHBondContact O-CG2 3.41Å; G31-V35 PolarHBondContact O-N 3.32Å; G31-M270 VanDerWaalsContact CA-CB 3.49Å |
| 32 | I | 90.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 173.5 | -69.6 | 158.4 | 0 | 0 | 0 | 110.1 | L27 T28 K29 E34 V35 L36 I84 F90 F231 | L27-I32 HydrophobicContact CB-CG1 4.3Å; T28-I32 WeakPolarHBondContact O-CG1 3.43Å; T28-I32 PolarHBondContact O-N 2.72Å; K29-I32 WeakPolarHBondContact O-CB 3.37Å; K29-I32 PolarHBondContact O-N 2Å; K29-I32 VanDerWaalsContact O-N 3.16Å; I32-E34 VanDerWaalsContact C-N 3.33Å; I32-E34 PolarHBondContact O-N 3.02Å; I32-V35 WeakPolarHBondContact O-CB 3.49Å; I32-V35 PolarHBondContact O-N 3.42Å; I32-L36 HydrophobicContact CG2-CD1 3.77Å; I32-L36 HydrophobicContact CG2-CG 4.21Å; I32-L36 WeakPolarHBondContact O-CB 3.41Å; I32-L36 VanDerWaalsContact O-CG 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 3.05Å; I32-I84 HydrophobicContact CD1-CD1 3.58Å; I32-I84 HydrophobicContact CG1-CD1 4.23Å; I32-I84 HydrophobicContact CG2-CB 4.39Å; I32-I84 HydrophobicContact CG2-CD1 4.47Å; I32-F90 HydrophobicContact CG2-CE1 4.34Å; I32-F231 HydrophobicContact CD1-CB 4.19Å; I32-F231 HydrophobicContact CG1-CB 4.28Å |
| 33 | D | 91 | Very high | 89.3 | Confident | 71 Ų | 71 | 31.8 Ų | 31.8 | 38% | 0.38 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.1 | -42.4 | -180 | -67.7 | -25 | 0 | 0 | 0 | 111.2 | K29 T30 V35 L36 N37 | K29-D33 VanDerWaalsContact O-CG 3.27Å; K29-D33 PolarHBondContact O-N 3.38Å; T30-D33 PolarHBondContact O-N 3.08Å; D33-V35 PolarHBondContact O-N 2.97Å; D33-L36 PolarHBondContact O-N 3.42Å; D33-N37 VanDerWaalsContact O-CB 3.27Å; D33-N37 WeakPolarHBondContact O-CB 3.25Å; D33-N37 PolarHBondContact O-N 2.95Å; D33-N37 PolarHBondContact O-ND2 2.89Å; D33-N37 VanDerWaalsContact O-ND2 3.15Å |
| 34 | E | 90.1 | Very high | 88.7 | Confident | 43 Ų | 43 | 34.4 Ų | 34.4 | 20% | 0.201 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 176.3 | -175.1 | 55.7 | -148.3 | 0 | 0 | 112.5 | T30 G31 I32 N37 T38 R41 M270 L477 | T30-E34 PolarHBondContact O-N 3.31Å; G31-E34 PolarHBondContact O-N 3.39Å; I32-E34 VanDerWaalsContact C-N 3.33Å; I32-E34 PolarHBondContact O-N 3.02Å; E34-N37 PolarHBondContact O-N 3Å; E34-T38 WeakPolarHBondContact O-CB 3.43Å; E34-T38 PolarHBondContact O-N 2.65Å; E34-T38 PolarHBondContact O-OG1 3.37Å; E34-T38 PolarHBondContact OE1-OG1 3.42Å; E34-R41 IonicContact OE1-NH2 3.35Å; E34-R41 PolarHBondContact OE1-NH2 3.29Å; E34-M270 HydrophobicContact CB-CE 3.74Å; E34-M270 HydrophobicContact CB-SD 3.81Å; E34-M270 HydrophobicContact CG-CE 4.03Å; E34-M270 HydrophobicContact CG-SD 3.95Å; E34-L477 HydrophobicContact CG-CB 4.29Å |
| 35 | V | 89.4 | Confident | 88.1 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 173.9 | 163.5 | 0 | 0 | 0 | 0 | 110.8 | L27 G31 I32 D33 T38 W39 I200 F201 L457 L477 | L27-V35 HydrophobicContact CD2-CG2 4.12Å; G31-V35 WeakPolarHBondContact O-CB 3.24Å; G31-V35 WeakPolarHBondContact O-CG2 3.41Å; G31-V35 PolarHBondContact O-N 3.32Å; I32-V35 WeakPolarHBondContact O-CB 3.49Å; I32-V35 PolarHBondContact O-N 3.42Å; D33-V35 PolarHBondContact O-N 2.97Å; V35-T38 PolarHBondContact O-N 2.95Å; V35-W39 WeakPolarHBondContact O-CB 3.49Å; V35-W39 PolarHBondContact O-N 2.93Å; V35-I200 HydrophobicContact CG1-CG2 3.92Å; V35-F201 HydrophobicContact CG1-CE2 3.98Å; V35-F201 HydrophobicContact CG1-CZ 3.74Å; V35-L457 HydrophobicContact CG2-CD1 3.73Å; V35-L477 HydrophobicContact CG2-CD1 4.09Å |
| 36 | L | 90.2 | Very high | 87.5 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 179.8 | -70.8 | 178.2 | 0 | 0 | 0 | 112.1 | I32 D33 W39 K40 F90 F92 | I32-L36 HydrophobicContact CG2-CD1 3.77Å; I32-L36 HydrophobicContact CG2-CG 4.21Å; I32-L36 WeakPolarHBondContact O-CB 3.41Å; I32-L36 VanDerWaalsContact O-CG 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 3.05Å; D33-L36 PolarHBondContact O-N 3.42Å; L36-W39 WeakPolarHBondContact O-CB 3.36Å; L36-W39 PolarHBondContact O-N 2.95Å; L36-K40 WeakPolarHBondContact O-CB 3.43Å; L36-K40 PolarHBondContact O-N 3.42Å; L36-F90 HydrophobicContact CD2-CD1 3.75Å; L36-F90 HydrophobicContact CD2-CE1 4.34Å; L36-F90 HydrophobicContact CD2-CG 4.42Å; L36-F90 HydrophobicContact CG-CD1 4.46Å; L36-F92 HydrophobicContact CD2-CE1 3.7Å; L36-F92 HydrophobicContact CD2-CZ 3.95Å |
| 37 | N | 89.2 | Confident | 86.6 | Confident | 78 Ų | 78 | 43.1 Ų | 43.1 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66 | -41 | 174.8 | -75.6 | -29.7 | 0 | 0 | 0 | 112 | D33 E34 K40 R41 | D33-N37 VanDerWaalsContact O-CB 3.27Å; D33-N37 WeakPolarHBondContact O-CB 3.25Å; D33-N37 PolarHBondContact O-N 2.95Å; D33-N37 PolarHBondContact O-ND2 2.89Å; D33-N37 VanDerWaalsContact O-ND2 3.15Å; E34-N37 PolarHBondContact O-N 3Å; N37-K40 PolarHBondContact O-N 2.92Å; N37-R41 WeakPolarHBondContact O-CG 3.34Å; N37-R41 PolarHBondContact O-N 3Å; N37-R41 VanDerWaalsContact O-N 3.17Å; N37-R41 PolarHBondContact O-NE 3Å |
| 38 | T | 87.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 173.7 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | E34 V35 K40 R41 L42 I200 L457 Y479 | E34-T38 WeakPolarHBondContact O-CB 3.43Å; E34-T38 PolarHBondContact O-N 2.65Å; E34-T38 PolarHBondContact O-OG1 3.37Å; E34-T38 PolarHBondContact OE1-OG1 3.42Å; V35-T38 PolarHBondContact O-N 2.95Å; T38-K40 VanDerWaalsContact C-N 3.31Å; T38-K40 PolarHBondContact O-N 3.01Å; T38-R41 PolarHBondContact O-N 3.07Å; T38-R41 PolarHBondContact OG1-NH2 3.07Å; T38-L42 HydrophobicContact CG2-CD1 4.21Å; T38-L42 WeakPolarHBondContact O-CG 3.34Å; T38-L42 PolarHBondContact O-N 2.85Å; T38-I200 HydrophobicContact CG2-CD1 4.47Å; T38-L457 HydrophobicContact CG2-CD2 4Å; T38-Y479 HydrophobicContact CG2-CD1 4.28Å; T38-Y479 HydrophobicContact CG2-CD2 3.66Å; T38-Y479 HydrophobicContact CG2-CE2 4.31Å; T38-Y479 HydrophobicContact CG2-CG 3.66Å |
| 39 | W | 86.3 | Confident | 84.1 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.9 | -46.1 | 174.7 | 178.8 | 94.4 | 0 | 0 | 0 | 111.4 | V35 L36 R41 L42 F43 T82 F92 L193 I200 | V35-W39 WeakPolarHBondContact O-CB 3.49Å; V35-W39 PolarHBondContact O-N 2.93Å; L36-W39 WeakPolarHBondContact O-CB 3.36Å; L36-W39 PolarHBondContact O-N 2.95Å; W39-R41 VanDerWaalsContact C-N 3.3Å; W39-R41 PolarHBondContact O-N 2.99Å; W39-L42 PolarHBondContact O-N 3.14Å; W39-L42 VanDerWaalsContact O-N 3.09Å; W39-F43 HydrophobicContact CD2-CB 4.29Å; W39-F43 HydrophobicContact CE3-CB 4.18Å; W39-F43 HydrophobicContact CH2-CB 4.02Å; W39-F43 HydrophobicContact CH2-CD1 4.03Å; W39-F43 HydrophobicContact CH2-CD2 4.3Å; W39-F43 AromaticContact CH2-CG 3.83Å; W39-F43 HydrophobicContact CH2-CG 3.83Å; W39-F43 HydrophobicContact CZ2-CB 4.2Å; W39-F43 HydrophobicContact CZ2-CD2 4.43Å; W39-F43 HydrophobicContact CZ2-CG 4.23Å; W39-F43 HydrophobicContact CZ3-CB 3.99Å; W39-F43 HydrophobicContact CZ3-CD1 4.09Å; W39-F43 HydrophobicContact CZ3-CG 4.1Å; W39-F43 WeakPolarHBondContact O-CB 3.42Å; W39-F43 PolarHBondContact O-N 3.16Å; W39-T82 HydrophobicContact CE3-CG2 4.34Å; W39-T82 HydrophobicContact CZ3-CG2 4.26Å; W39-F92 AromaticContact CD2-CD1 3.95Å; W39-F92 HydrophobicContact CD2-CD1 3.95Å; W39-F92 AromaticContact CD2-CE1 3.41Å; W39-F92 HydrophobicContact CD2-CE1 3.41Å; W39-F92 VanDerWaalsContact CD2-CE1 3.41Å; W39-F92 HydrophobicContact CD2-CZ 4.03Å; W39-F92 AromaticContact CE2-CD1 3.99Å; W39-F92 AromaticContact CE2-CE1 3.6Å; W39-F92 AromaticContact CE2-CZ 3.88Å; W39-F92 AromaticContact CE3-CD1 3.5Å; W39-F92 HydrophobicContact CE3-CD1 3.5Å; W39-F92 VanDerWaalsContact CE3-CD1 3.5Å; W39-F92 AromaticContact CE3-CE1 3.34Å; W39-F92 HydrophobicContact CE3-CE1 3.34Å; W39-F92 HydrophobicContact CE3-CZ 4.37Å; W39-F92 HydrophobicContact CG-CE1 4.1Å; W39-F92 HydrophobicContact CG-CZ 4.44Å; W39-F92 HydrophobicContact CH2-CB 3.95Å; W39-F92 AromaticContact CH2-CD1 3.19Å; W39-F92 HydrophobicContact CH2-CD1 3.19Å; W39-F92 HydrophobicContact CH2-CD2 4.35Å; W39-F92 AromaticContact CH2-CE1 3.71Å; W39-F92 HydrophobicContact CH2-CE1 3.71Å; W39-F92 AromaticContact CH2-CG 3.56Å; W39-F92 HydrophobicContact CH2-CG 3.56Å; W39-F92 HydrophobicContact CH2-CZ 4.47Å; W39-F92 AromaticContact CZ2-CD1 3.59Å; W39-F92 HydrophobicContact CZ2-CD1 3.59Å; W39-F92 HydrophobicContact CZ2-CD2 4.2Å; W39-F92 AromaticContact CZ2-CE1 3.69Å; W39-F92 HydrophobicContact CZ2-CE1 3.69Å; W39-F92 HydrophobicContact CZ2-CE2 4.3Å; W39-F92 AromaticContact CZ2-CG 3.86Å; W39-F92 HydrophobicContact CZ2-CG 3.86Å; W39-F92 HydrophobicContact CZ2-CZ 4.05Å; W39-F92 HydrophobicContact CZ3-CB 4.44Å; W39-F92 AromaticContact CZ3-CD1 3.15Å; W39-F92 HydrophobicContact CZ3-CD1 3.15Å; W39-F92 AromaticContact CZ3-CE1 3.56Å; W39-F92 HydrophobicContact CZ3-CE1 3.56Å; W39-F92 AromaticContact CZ3-CG 3.99Å; W39-F92 HydrophobicContact CZ3-CG 3.99Å; W39-L193 HydrophobicContact CH2-CD2 3.51Å; W39-L193 HydrophobicContact CZ2-CB 4.07Å; W39-L193 HydrophobicContact CZ2-CD1 4.09Å; W39-L193 HydrophobicContact CZ2-CD2 3.17Å; W39-L193 HydrophobicContact CZ2-CG 3.9Å; W39-I200 HydrophobicContact CB-CD1 3.69Å; W39-I200 HydrophobicContact CG-CD1 4.4Å |
| 40 | K | 86.5 | Confident | 82.8 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 29% | 0.291 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.2 | -45.7 | 179.3 | 178.5 | 173.4 | 171 | 171.6 | 0 | 111.1 | L36 N37 T38 L44 I80 | L36-K40 WeakPolarHBondContact O-CB 3.43Å; L36-K40 PolarHBondContact O-N 3.42Å; N37-K40 PolarHBondContact O-N 2.92Å; T38-K40 VanDerWaalsContact C-N 3.31Å; T38-K40 PolarHBondContact O-N 3.01Å; K40-L44 HydrophobicContact CG-CD1 4.35Å; K40-L44 WeakPolarHBondContact O-CB 3.43Å; K40-L44 VanDerWaalsContact O-CG 3.27Å; K40-L44 WeakPolarHBondContact O-CG 3.36Å; K40-L44 PolarHBondContact O-N 3.13Å; K40-I80 HydrophobicContact CD-CB 4.16Å; K40-I80 HydrophobicContact CD-CD1 4.36Å; K40-I80 HydrophobicContact CD-CG2 4.13Å; K40-I80 HydrophobicContact CG-CD1 4.04Å; K40-I80 HydrophobicContact CG-CG2 4.24Å; K40-I80 PolarHBondContact NZ-O 2.84Å |
| 41 | R | 85.2 | Confident | 81.5 | Confident | 98 Ų | 98 | 53.7 Ų | 53.7 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 176.2 | -69.4 | -179.8 | -71 | 173.8 | -4.6 | 112.4 | E34 N37 T38 W39 K45 | E34-R41 IonicContact OE1-NH2 3.35Å; E34-R41 PolarHBondContact OE1-NH2 3.29Å; N37-R41 WeakPolarHBondContact O-CG 3.34Å; N37-R41 PolarHBondContact O-N 3Å; N37-R41 VanDerWaalsContact O-N 3.17Å; N37-R41 PolarHBondContact O-NE 3Å; T38-R41 PolarHBondContact O-N 3.07Å; T38-R41 PolarHBondContact OG1-NH2 3.07Å; W39-R41 VanDerWaalsContact C-N 3.3Å; W39-R41 PolarHBondContact O-N 2.99Å; R41-K45 WeakPolarHBondContact O-CG 3.39Å; R41-K45 PolarHBondContact O-N 2.89Å |
| 42 | L | 83.5 | Confident | 80.5 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.2 | -40.7 | -179.9 | -68.1 | 178.6 | 0 | 0 | 0 | 112.7 | T38 W39 K45 R46 P196 I200 I456 Y479 | T38-L42 HydrophobicContact CG2-CD1 4.21Å; T38-L42 WeakPolarHBondContact O-CG 3.34Å; T38-L42 PolarHBondContact O-N 2.85Å; W39-L42 PolarHBondContact O-N 3.14Å; W39-L42 VanDerWaalsContact O-N 3.09Å; L42-K45 PolarHBondContact O-N 2.78Å; L42-R46 WeakPolarHBondContact O-CB 3.41Å; L42-R46 PolarHBondContact O-N 3.32Å; L42-P196 HydrophobicContact CB-CB 3.89Å; L42-P196 HydrophobicContact CB-CG 4.23Å; L42-P196 HydrophobicContact CD1-CB 4.39Å; L42-I200 HydrophobicContact CD1-CD1 4.3Å; L42-I200 HydrophobicContact CD1-CG1 4.33Å; L42-I456 HydrophobicContact CD1-CD1 4.24Å; L42-Y479 HydrophobicContact CD1-CE2 4.4Å; L42-Y479 HydrophobicContact CD2-CE1 4.17Å; L42-Y479 WeakPolarHBondContact CD2-OH 3.08Å |
| 43 | F | 83 | Confident | 79.5 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 175.8 | 169.5 | -111.8 | 0 | 0 | 0 | 111.1 | W39 K45 R46 M47 F126 L193 | W39-F43 HydrophobicContact CD2-CB 4.29Å; W39-F43 HydrophobicContact CE3-CB 4.18Å; W39-F43 HydrophobicContact CH2-CB 4.02Å; W39-F43 HydrophobicContact CH2-CD1 4.03Å; W39-F43 HydrophobicContact CH2-CD2 4.3Å; W39-F43 AromaticContact CH2-CG 3.83Å; W39-F43 HydrophobicContact CH2-CG 3.83Å; W39-F43 HydrophobicContact CZ2-CB 4.2Å; W39-F43 HydrophobicContact CZ2-CD2 4.43Å; W39-F43 HydrophobicContact CZ2-CG 4.23Å; W39-F43 HydrophobicContact CZ3-CB 3.99Å; W39-F43 HydrophobicContact CZ3-CD1 4.09Å; W39-F43 HydrophobicContact CZ3-CG 4.1Å; W39-F43 WeakPolarHBondContact O-CB 3.42Å; W39-F43 PolarHBondContact O-N 3.16Å; F43-K45 PolarHBondContact O-N 3.15Å; F43-R46 PolarHBondContact O-N 3.33Å; F43-M47 HydrophobicContact CD1-CG 4.43Å; F43-M47 HydrophobicContact CD2-CG 3.91Å; F43-M47 HydrophobicContact CE1-CG 3.91Å; F43-M47 HydrophobicContact CE2-CG 3.3Å; F43-M47 HydrophobicContact CE2-SD 3.57Å; F43-M47 VanDerWaalsContact CE2-SD 3.57Å; F43-M47 HydrophobicContact CG-CG 4.44Å; F43-M47 HydrophobicContact CZ-CE 4.42Å; F43-M47 HydrophobicContact CZ-CG 3.31Å; F43-M47 HydrophobicContact CZ-SD 3.69Å; F43-M47 WeakPolarHBondContact O-CG 3.46Å; F43-M47 PolarHBondContact O-N 2.83Å; F43-F126 HydrophobicContact CE1-CZ 4.08Å; F43-F126 HydrophobicContact CZ-CE1 4.36Å; F43-F126 AromaticContact CZ-CZ 3.71Å; F43-F126 HydrophobicContact CZ-CZ 3.71Å; F43-L193 HydrophobicContact CD2-CD2 3.3Å; F43-L193 HydrophobicContact CE2-CD2 3.27Å; F43-L193 HydrophobicContact CG-CD2 4.09Å; F43-L193 HydrophobicContact CZ-CD2 4.03Å |
| 44 | L | 79 | Confident | 78.6 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 32% | 0.319 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 178.1 | -75.1 | 177.1 | 0 | 0 | 0 | 112.7 | K40 R46 M47 A48 F78 I80 | K40-L44 HydrophobicContact CG-CD1 4.35Å; K40-L44 WeakPolarHBondContact O-CB 3.43Å; K40-L44 VanDerWaalsContact O-CG 3.27Å; K40-L44 WeakPolarHBondContact O-CG 3.36Å; K40-L44 PolarHBondContact O-N 3.13Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.02Å; L44-M47 PolarHBondContact O-N 2.92Å; L44-A48 PolarHBondContact O-N 2.88Å; L44-F78 HydrophobicContact CD2-CE2 3.71Å; L44-F78 HydrophobicContact CD2-CZ 3.46Å; L44-F78 VanDerWaalsContact CD2-CZ 3.46Å; L44-I80 HydrophobicContact CD1-CD1 3.98Å; L44-I80 HydrophobicContact CD2-CD1 3.62Å; L44-I80 HydrophobicContact CG-CD1 3.92Å |
| 45 | K | 79 | Confident | 77.6 | Confident | 133 Ų | 133 | 62.1 Ų | 62.1 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.1 | -45.2 | 173.2 | -73.8 | -178.8 | 179.3 | -172.9 | 0 | 110.8 | R41 L42 F43 A48 Y49 | R41-K45 WeakPolarHBondContact O-CG 3.39Å; R41-K45 PolarHBondContact O-N 2.89Å; L42-K45 PolarHBondContact O-N 2.78Å; F43-K45 PolarHBondContact O-N 3.15Å; K45-A48 WeakPolarHBondContact O-CB 3.43Å; K45-A48 PolarHBondContact O-N 2.81Å; K45-Y49 WeakPolarHBondContact O-CD2 3.36Å; K45-Y49 PolarHBondContact O-N 2.85Å |
| 46 | R | 79.2 | Confident | 76.8 | Confident | 105 Ų | 105 | 68 Ų | 68 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.2 | -36.8 | -176.6 | -164 | 166 | -175.1 | 117.3 | 4.5 | 113.4 | L42 F43 L44 A48 Y49 S50 S192 P195 | L42-R46 WeakPolarHBondContact O-CB 3.41Å; L42-R46 PolarHBondContact O-N 3.32Å; F43-R46 PolarHBondContact O-N 3.33Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.02Å; R46-A48 PolarHBondContact O-N 2.89Å; R46-Y49 CarbonylContact O-C 3.59Å; R46-Y49 PolarHBondContact O-N 2.59Å; R46-S50 PolarHBondContact O-N 3.48Å; R46-S192 WeakPolarHBondContact CD-O 3.44Å; R46-P195 VanDerWaalsContact CZ-CB 3.4Å; R46-P195 VanDerWaalsContact CZ-CG 3.44Å |
| 47 | M | 72.2 | Confident | 75.8 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -35.3 | 172.9 | -74.8 | -66.9 | -67.1 | 0 | 0 | 111.9 | F43 L44 Y49 I74 I99 | F43-M47 HydrophobicContact CD1-CG 4.43Å; F43-M47 HydrophobicContact CD2-CG 3.91Å; F43-M47 HydrophobicContact CE1-CG 3.91Å; F43-M47 HydrophobicContact CE2-CG 3.3Å; F43-M47 HydrophobicContact CE2-SD 3.57Å; F43-M47 VanDerWaalsContact CE2-SD 3.57Å; F43-M47 HydrophobicContact CG-CG 4.44Å; F43-M47 HydrophobicContact CZ-CE 4.42Å; F43-M47 HydrophobicContact CZ-CG 3.31Å; F43-M47 HydrophobicContact CZ-SD 3.69Å; F43-M47 WeakPolarHBondContact O-CG 3.46Å; F43-M47 PolarHBondContact O-N 2.83Å; L44-M47 PolarHBondContact O-N 2.92Å; M47-Y49 VanDerWaalsContact C-N 3.3Å; M47-Y49 PolarHBondContact O-N 2.76Å; M47-I74 HydrophobicContact CB-CD1 3.89Å; M47-I99 HydrophobicContact CE-CD1 4.02Å |
| 48 | A | 69.1 | Low | 74.7 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 51% | 0.512 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.4 | -22.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L44 K45 R46 | L44-A48 PolarHBondContact O-N 2.88Å; K45-A48 WeakPolarHBondContact O-CB 3.43Å; K45-A48 PolarHBondContact O-N 2.81Å; R46-A48 PolarHBondContact O-N 2.89Å |
| 49 | Y | 62.5 | Low | 73.5 | Confident | 196 Ų | 196 | 75 Ų | 75 | 77% | 0.769 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 29.7 | -178.6 | -69.9 | -69.8 | 0 | 0 | 0 | 113 | K45 R46 M47 E51 | K45-Y49 WeakPolarHBondContact O-CD2 3.36Å; K45-Y49 PolarHBondContact O-N 2.85Å; R46-Y49 CarbonylContact O-C 3.59Å; R46-Y49 PolarHBondContact O-N 2.59Å; M47-Y49 VanDerWaalsContact C-N 3.3Å; M47-Y49 PolarHBondContact O-N 2.76Å; Y49-E51 PolarHBondContact O-N 2.86Å |
| 50 | S | 63.4 | Low | 72.1 | Confident | 15 Ų | 15 | 83 Ų | 83 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 127 | -178.3 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | R46 A71 H188 | R46-S50 PolarHBondContact O-N 3.48Å; S50-A71 WeakPolarHBondContact OG-CB 3.3Å; S50-A71 PolarHBondContact OG-N 3.45Å; S50-H188 VanDerWaalsContact CB-CE1 3.43Å; S50-H188 WeakPolarHBondContact CB-CE1 3.32Å; S50-H188 WeakPolarHBondContact CB-NE2 3.37Å |
| 51 | E | 64.5 | Low | 71 | Confident | 157 Ų | 157 | 91.2 Ų | 91.2 | 73% | 0.734 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 140.5 | 171.8 | -74.9 | 176 | -170.5 | 0 | 0 | 110.9 | Y49 V53 | Y49-E51 PolarHBondContact O-N 2.86Å; E51-V53 PolarHBondContact O-N 2.87Å |
| 52 | P | 69.5 | Low | 70.1 | Confident | 77 Ų | 77 | 91.4 Ų | 91.4 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 130.6 | 177 | 22.9 | -29.6 | 0 | 0 | 0 | 110.9 | N68 L69 | P52-N68 HydrophobicContact CB-CB 4.19Å; P52-L69 CarbonylContact C-O 3.55Å; P52-L69 WeakPolarHBondContact CA-O 3.34Å |
| 53 | V | 69.4 | Low | 69.4 | Low | 58 Ų | 58 | 92 Ų | 92 | 35% | 0.352 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 148.5 | 176.2 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | E51 L55 L69 | E51-V53 PolarHBondContact O-N 2.87Å; V53-L55 HydrophobicContact CG2-CD1 4.09Å; V53-L55 HydrophobicContact CG2-CG 4.26Å; V53-L69 HydrophobicContact CG2-CB 4Å; V53-L69 HydrophobicContact CG2-CD2 4.4Å; V53-L69 PolarHBondContact N-O 2.86Å; V53-L69 PolarHBondContact O-N 3.29Å |
| 54 | K | 72 | Confident | 68.9 | Low | 131 Ų | 131 | 93.3 Ų | 93.3 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.6 | 170.2 | -175.9 | 173 | -176 | 167 | 0 | 109.7 | V65 I66 N67 | K54-V65 HydrophobicContact CD-CG1 4.34Å; K54-V65 HydrophobicContact CG-CG1 4.02Å; K54-I66 CarbonylContact C-O 3.5Å; K54-I66 WeakPolarHBondContact CA-O 3.29Å; K54-N67 WeakPolarHBondContact CD-OD1 3.29Å; K54-N67 WeakPolarHBondContact CE-OD1 3.14Å |
| 55 | L | 68.8 | Low | 68.8 | Low | 29 Ų | 29 | 90.9 Ų | 90.9 | 15% | 0.152 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.4 | -177.8 | -68.1 | 155.2 | 0 | 0 | 0 | 110.8 | V53 V65 I66 L69 F180 T184 | V53-L55 HydrophobicContact CG2-CD1 4.09Å; V53-L55 HydrophobicContact CG2-CG 4.26Å; L55-V65 CarbonylContact O-C 3.53Å; L55-V65 VanDerWaalsContact O-CA 3.27Å; L55-V65 WeakPolarHBondContact O-CA 3.09Å; L55-V65 WeakPolarHBondContact O-CG1 3.46Å; L55-I66 HydrophobicContact CB-CB 4.24Å; L55-I66 PolarHBondContact N-O 3.26Å; L55-I66 PolarHBondContact O-N 2.86Å; L55-L69 HydrophobicContact CD1-CB 3.98Å; L55-L69 HydrophobicContact CD1-CD2 3.17Å; L55-L69 HydrophobicContact CD1-CG 4.15Å; L55-F180 HydrophobicContact CB-CZ 4.37Å; L55-F180 HydrophobicContact CD1-CE1 4.45Å; L55-F180 HydrophobicContact CD1-CZ 3.75Å; L55-F180 HydrophobicContact CD2-CE2 4.14Å; L55-F180 HydrophobicContact CD2-CZ 3.87Å; L55-F180 HydrophobicContact CG-CZ 4.19Å; L55-T184 HydrophobicContact CD2-CG2 4.45Å |
| 56 | R | 73 | Confident | 68.7 | Low | 129 Ų | 129 | 85.1 Ų | 85.1 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.5 | 175.9 | -63.1 | -177.9 | 174 | 132.9 | -5 | 108.2 | Y58 Y63 I64 V65 | R56-Y58 HydrophobicContact CB-CE2 3.78Å; R56-Y58 VanDerWaalsContact CD-OH 3.29Å; R56-Y58 WeakPolarHBondContact CD-OH 3.36Å; R56-Y63 HydrophobicContact CB-CD2 4.12Å; R56-Y63 HydrophobicContact CB-CE2 4.32Å; R56-Y63 HydrophobicContact CG-CD2 4.23Å; R56-Y63 HydrophobicContact CG-CE2 3.95Å; R56-I64 CarbonylContact C-O 3.51Å; R56-I64 WeakPolarHBondContact CA-O 3.46Å; R56-V65 HydrophobicContact CG-CG2 4.33Å |
| 57 | I | 68.8 | Low | 68.7 | Low | 25 Ų | 25 | 82.1 Ų | 82.1 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113 | 176.1 | -54 | 170 | 0 | 0 | 0 | 108 | Y63 I64 I66 L172 F180 | I57-Y63 CarbonylContact O-C 3.37Å; I57-Y63 WeakPolarHBondContact O-CA 3.4Å; I57-Y63 WeakPolarHBondContact O-CB 3.44Å; I57-I64 PolarHBondContact N-O 3.04Å; I57-I64 PolarHBondContact O-N 2.85Å; I57-I66 HydrophobicContact CD1-CD1 3.85Å; I57-L172 HydrophobicContact CD1-CD2 4.23Å; I57-L172 HydrophobicContact CG2-CD2 3.66Å; I57-F180 HydrophobicContact CG1-CE2 4.46Å |
| 58 | Y | 65.4 | Low | 69.2 | Low | 155 Ų | 155 | 87.2 Ų | 87.2 | 61% | 0.608 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127 | -174.3 | -61.6 | -89.6 | 0 | 0 | 0 | 111 | R56 Y63 | R56-Y58 HydrophobicContact CB-CE2 3.78Å; R56-Y58 VanDerWaalsContact CD-OH 3.29Å; R56-Y58 WeakPolarHBondContact CD-OH 3.36Å; Y58-Y63 HydrophobicContact CD1-CD1 4.15Å; Y58-Y63 HydrophobicContact CD1-CG 4Å; Y58-Y63 HydrophobicContact CE1-CD1 4.07Å; Y58-Y63 HydrophobicContact CE1-CD2 4.44Å; Y58-Y63 HydrophobicContact CE1-CE1 4.4Å; Y58-Y63 HydrophobicContact CE1-CG 4.03Å |
| 59 | G | 62.6 | Low | 69.5 | Low | 47 Ų | 47 | 85 Ų | 85 | 49% | 0.485 | 41% | 0.406 | S | S | . | . | trans | -102.1 | -170.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R61 D62 | G59-R61 PolarHBondContact O-N 3.29Å; G59-D62 CarbonylContact C-O 3.55Å; G59-D62 VanDerWaalsContact CA-O 3.28Å; G59-D62 WeakPolarHBondContact CA-O 3.23Å; G59-D62 PolarHBondContact N-O 2.56Å | ||
| 60 | L | 57.5 | Low | 70.2 | Confident | 171 Ų | 171 | 82.6 Ų | 82.6 | 90% | 0.895 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -67.5 | -31.8 | -175.9 | -74.7 | 166.2 | 0 | 0 | 0 | 114.3 | ||
| 61 | R | 63.6 | Low | 70.8 | Confident | 241 Ų | 241 | 82.4 Ų | 82.4 | 91% | 0.909 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -132.1 | -13.7 | -177.2 | -67.8 | -173.9 | 179.1 | -177 | -0.4 | 114.4 | G59 | G59-R61 PolarHBondContact O-N 3.29Š|
| 62 | D | 65.8 | Low | 71.5 | Confident | 102 Ų | 102 | 76 Ų | 76 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | trans | -144.8 | 166.4 | -175.2 | -90.1 | -49.1 | 0 | 0 | 0 | 110.2 | G59 | G59-D62 CarbonylContact C-O 3.55Å; G59-D62 VanDerWaalsContact CA-O 3.28Å; G59-D62 WeakPolarHBondContact CA-O 3.23Å; G59-D62 PolarHBondContact N-O 2.56Å | ||
| 63 | Y | 68.5 | Low | 72 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 14% | 0.141 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 150.1 | 170.6 | 71 | -92 | 0 | 0 | 0 | 112.2 | R56 I57 Y58 V65 Y108 | R56-Y63 HydrophobicContact CB-CD2 4.12Å; R56-Y63 HydrophobicContact CB-CE2 4.32Å; R56-Y63 HydrophobicContact CG-CD2 4.23Å; R56-Y63 HydrophobicContact CG-CE2 3.95Å; I57-Y63 CarbonylContact O-C 3.37Å; I57-Y63 WeakPolarHBondContact O-CA 3.4Å; I57-Y63 WeakPolarHBondContact O-CB 3.44Å; Y58-Y63 HydrophobicContact CD1-CD1 4.15Å; Y58-Y63 HydrophobicContact CD1-CG 4Å; Y58-Y63 HydrophobicContact CE1-CD1 4.07Å; Y58-Y63 HydrophobicContact CE1-CD2 4.44Å; Y58-Y63 HydrophobicContact CE1-CE1 4.4Å; Y58-Y63 HydrophobicContact CE1-CG 4.03Å; Y63-V65 HydrophobicContact CD2-CG2 3.83Å; Y63-V65 HydrophobicContact CE2-CG2 3.57Å; Y63-Y108 AromaticContact CD1-CD1 3.81Å; Y63-Y108 HydrophobicContact CD1-CD1 3.81Å; Y63-Y108 HydrophobicContact CD1-CE1 4.47Å; Y63-Y108 AromaticContact CD1-CG 3.89Å; Y63-Y108 HydrophobicContact CD1-CG 3.89Å; Y63-Y108 HydrophobicContact CD2-CD2 4.45Å; Y63-Y108 HydrophobicContact CD2-CG 4.12Å; Y63-Y108 AromaticContact CE1-CD1 3.11Å; Y63-Y108 HydrophobicContact CE1-CD1 3.11Å; Y63-Y108 AromaticContact CE1-CD2 3.78Å; Y63-Y108 HydrophobicContact CE1-CD2 3.78Å; Y63-Y108 AromaticContact CE1-CE1 3.44Å; Y63-Y108 HydrophobicContact CE1-CE1 3.44Å; Y63-Y108 VanDerWaalsContact CE1-CE1 3.44Å; Y63-Y108 HydrophobicContact CE1-CE2 4.08Å; Y63-Y108 AromaticContact CE1-CG 3.26Å; Y63-Y108 HydrophobicContact CE1-CG 3.26Å; Y63-Y108 AromaticContact CE1-CZ 3.89Å; Y63-Y108 HydrophobicContact CE2-CD1 4.28Å; Y63-Y108 AromaticContact CE2-CD2 3.48Å; Y63-Y108 HydrophobicContact CE2-CD2 3.48Å; Y63-Y108 VanDerWaalsContact CE2-CD2 3.48Å; Y63-Y108 HydrophobicContact CE2-CE2 4.16Å; Y63-Y108 AromaticContact CE2-CG 3.52Å; Y63-Y108 HydrophobicContact CE2-CG 3.52Å; Y63-Y108 HydrophobicContact CG-CG 4.31Å; Y63-Y108 AromaticContact CZ-CD1 3.45Å; Y63-Y108 VanDerWaalsContact CZ-CD1 3.45Å; Y63-Y108 AromaticContact CZ-CD2 3.1Å; Y63-Y108 AromaticContact CZ-CE1 3.71Å; Y63-Y108 AromaticContact CZ-CE2 3.42Å; Y63-Y108 VanDerWaalsContact CZ-CE2 3.42Å; Y63-Y108 AromaticContact CZ-CG 3.09Å; Y63-Y108 AromaticContact CZ-CZ 3.68Å; Y63-Y108 WeakPolarHBondContact O-CB 3.46Å; Y63-Y108 PolarHBondContact O-N 3.13Å; Y63-Y108 VanDerWaalsContact O-N 3.11Å; Y63-Y108 WeakPolarHBondContact OH-CD2 3.42Å; Y63-Y108 WeakPolarHBondContact OH-CE2 3.35Å |
| 64 | I | 72.8 | Confident | 72.4 | Confident | 28 Ų | 28 | 80.5 Ų | 80.5 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.9 | 178.1 | -59.2 | 163.5 | 0 | 0 | 0 | 108.4 | R56 I57 L105 L166 | R56-I64 CarbonylContact C-O 3.51Å; R56-I64 WeakPolarHBondContact CA-O 3.46Å; I57-I64 PolarHBondContact N-O 3.04Å; I57-I64 PolarHBondContact O-N 2.85Å; I64-L105 HydrophobicContact CG2-CD1 3.28Å; I64-L105 HydrophobicContact CG2-CD2 4.39Å; I64-L105 HydrophobicContact CG2-CG 3.71Å; I64-L166 HydrophobicContact CD1-CD2 3.6Å; I64-L166 HydrophobicContact CG1-CD2 3.91Å; I64-L166 HydrophobicContact CG2-CD2 3.91Å |
| 65 | V | 76.6 | Confident | 72.8 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | K54 L55 R56 Y63 N67 A106 | K54-V65 HydrophobicContact CD-CG1 4.34Å; K54-V65 HydrophobicContact CG-CG1 4.02Å; L55-V65 CarbonylContact O-C 3.53Å; L55-V65 VanDerWaalsContact O-CA 3.27Å; L55-V65 WeakPolarHBondContact O-CA 3.09Å; L55-V65 WeakPolarHBondContact O-CG1 3.46Å; R56-V65 HydrophobicContact CG-CG2 4.33Å; Y63-V65 HydrophobicContact CD2-CG2 3.83Å; Y63-V65 HydrophobicContact CE2-CG2 3.57Å; V65-N67 WeakPolarHBondContact CG1-OD1 3.31Å; V65-A106 PolarHBondContact N-O 3.31Å; V65-A106 PolarHBondContact O-N 3.25Å |
| 66 | I | 76.7 | Confident | 73.1 | Confident | 12 Ų | 12 | 79.4 Ų | 79.4 | 6% | 0.062 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 111.4 | 166.4 | -58 | 160 | 0 | 0 | 0 | 107.3 | K54 L55 I57 L69 L105 M117 | K54-I66 CarbonylContact C-O 3.5Å; K54-I66 WeakPolarHBondContact CA-O 3.29Å; L55-I66 HydrophobicContact CB-CB 4.24Å; L55-I66 PolarHBondContact N-O 3.26Å; L55-I66 PolarHBondContact O-N 2.86Å; I57-I66 HydrophobicContact CD1-CD1 3.85Å; I66-L69 HydrophobicContact CG2-CB 3.88Å; I66-L69 HydrophobicContact CG2-CD1 4.03Å; I66-L69 HydrophobicContact CG2-CG 4.49Å; I66-L105 HydrophobicContact CB-CD1 4.5Å; I66-L105 HydrophobicContact CD1-CD1 4.36Å; I66-L105 HydrophobicContact CG1-CD1 3.42Å; I66-L105 VanDerWaalsContact CG1-CD1 3.42Å; I66-M117 HydrophobicContact CB-CE 4.3Å; I66-M117 HydrophobicContact CD1-CE 3.96Å; I66-M117 HydrophobicContact CD1-SD 4.37Å; I66-M117 HydrophobicContact CG1-CE 4.03Å; I66-M117 HydrophobicContact CG1-SD 4.1Å; I66-M117 HydrophobicContact CG2-CE 3.28Å; I66-M117 HydrophobicContact CG2-SD 4Å |
| 67 | N | 80.6 | Confident | 73.5 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 23% | 0.225 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 150.5 | 172.7 | -62.7 | -54.2 | 0 | 0 | 0 | 110.3 | K54 V65 L69 S104 | K54-N67 WeakPolarHBondContact CD-OD1 3.29Å; K54-N67 WeakPolarHBondContact CE-OD1 3.14Å; V65-N67 WeakPolarHBondContact CG1-OD1 3.31Å; N67-L69 PolarHBondContact O-N 2.8Å; N67-L69 VanDerWaalsContact O-N 3.16Å; N67-S104 PolarHBondContact N-O 3.11Å; N67-S104 PolarHBondContact O-N 3.34Å |
| 68 | N | 81.7 | Confident | 74.3 | Confident | 108 Ų | 108 | 81.4 Ų | 81.4 | 58% | 0.578 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 35.1 | 174.9 | -62.9 | -20.4 | 0 | 0 | 0 | 114.9 | P52 R70 Y102 | P52-N68 HydrophobicContact CB-CB 4.19Å; N68-R70 PolarHBondContact O-N 2.8Å; N68-Y102 VanDerWaalsContact O-O 3.13Å |
| 69 | L | 75.8 | Confident | 75.3 | Confident | 16 Ų | 16 | 77.4 Ų | 77.4 | 8% | 0.084 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 119.3 | 174.8 | -172.9 | 76.2 | 0 | 0 | 0 | 108.9 | P52 V53 L55 I66 N67 Y101 Y102 M117 | P52-L69 CarbonylContact C-O 3.55Å; P52-L69 WeakPolarHBondContact CA-O 3.34Å; V53-L69 HydrophobicContact CG2-CB 4Å; V53-L69 HydrophobicContact CG2-CD2 4.4Å; V53-L69 PolarHBondContact N-O 2.86Å; V53-L69 PolarHBondContact O-N 3.29Å; L55-L69 HydrophobicContact CD1-CB 3.98Å; L55-L69 HydrophobicContact CD1-CD2 3.17Å; L55-L69 HydrophobicContact CD1-CG 4.15Å; I66-L69 HydrophobicContact CG2-CB 3.88Å; I66-L69 HydrophobicContact CG2-CD1 4.03Å; I66-L69 HydrophobicContact CG2-CG 4.49Å; N67-L69 PolarHBondContact O-N 2.8Å; N67-L69 VanDerWaalsContact O-N 3.16Å; L69-Y101 HydrophobicContact CD1-CD1 4.35Å; L69-Y101 HydrophobicContact CD1-CG 4.36Å; L69-Y101 HydrophobicContact CD2-CD1 4.3Å; L69-Y101 HydrophobicContact CG-CD1 4.2Å; L69-Y102 CarbonylContact C-O 3.53Å; L69-Y102 VanDerWaalsContact CA-O 3.28Å; L69-Y102 WeakPolarHBondContact CA-O 3.48Å; L69-M117 HydrophobicContact CD1-CE 3.42Å; L69-M117 VanDerWaalsContact CD1-CE 3.42Å |
| 70 | R | 78 | Confident | 76.6 | Confident | 145 Ų | 145 | 76 Ų | 76 | 55% | 0.547 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148.5 | 176.4 | 62.1 | -176.6 | 179.8 | -165 | 0.1 | 110.7 | N68 G72 Y101 Y102 | N68-R70 PolarHBondContact O-N 2.8Å; R70-G72 PolarHBondContact O-N 2.7Å; R70-Y101 WeakPolarHBondContact O-CA 3.34Å; R70-Y102 PolarHBondContact N-O 3.47Å; R70-Y102 PolarHBondContact O-N 2.99Å |
| 71 | A | 75.4 | Confident | 78.2 | Confident | 11 Ų | 11 | 74 Ų | 74 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 136.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | S50 I99 Y101 | S50-A71 WeakPolarHBondContact OG-CB 3.3Å; S50-A71 PolarHBondContact OG-N 3.45Å; A71-I99 HydrophobicContact CB-CG2 4.42Å; A71-Y101 HydrophobicContact CB-CD1 4.46Å; A71-Y101 HydrophobicContact CB-CE1 4.2Å |
| 72 | G | 78.1 | Confident | 79.5 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -129.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R70 D100 | R70-G72 PolarHBondContact O-N 2.7Å; G72-D100 VanDerWaalsContact CA-O 3.28Å; G72-D100 WeakPolarHBondContact CA-O 3.37Å; G72-D100 PolarHBondContact N-O 2.88Å |
| 73 | R | 80.1 | Confident | 80.7 | Confident | 191 Ų | 191 | 62 Ų | 62 | 72% | 0.721 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 134.4 | 175.7 | -64.8 | -179.1 | -180 | -175.5 | 0.7 | 109.8 | D100 | R73-D100 PolarHBondContact O-N 3Å |
| 74 | I | 78.5 | Confident | 81.8 | Confident | 40 Ų | 40 | 61.7 Ų | 61.7 | 21% | 0.205 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.5 | 167.1 | -54.6 | 178.6 | 0 | 0 | 0 | 105.7 | M47 F78 M97 N98 I99 | M47-I74 HydrophobicContact CB-CD1 3.89Å; I74-F78 HydrophobicContact CG2-CD1 4.21Å; I74-F78 HydrophobicContact CG2-CE1 3.7Å; I74-F78 HydrophobicContact CG2-CZ 4.07Å; I74-M97 HydrophobicContact CG2-CG 4.05Å; I74-N98 WeakPolarHBondContact CA-O 3.4Å; I74-I99 HydrophobicContact CD1-CD1 4.47Å; I74-I99 HydrophobicContact CG1-CD1 4.45Å; I74-I99 HydrophobicContact CG1-CG1 4.17Å; I74-I99 HydrophobicContact CG2-CG1 4.33Å |
| 75 | A | 81.2 | Confident | 82.7 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | trans | -60.3 | 143.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | H77 F78 N98 | A75-H77 PolarHBondContact O-N 3.32Å; A75-F78 WeakPolarHBondContact O-CD1 3.44Å; A75-F78 VanDerWaalsContact O-CE1 3.25Å; A75-F78 WeakPolarHBondContact O-CE1 3.4Å; A75-N98 HydrophobicContact CB-CB 3.78Å; A75-N98 PolarHBondContact N-O 2.65Å | ||
| 76 | P | 74.9 | Confident | 83.5 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 68% | 0.675 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -71.6 | -12.1 | -173.1 | 27 | -34.2 | 0 | 0 | 0 | 114.3 | F78 | P76-F78 PolarHBondContact O-N 2.89Š|
| 77 | H | 81 | Confident | 84.3 | Confident | 154 Ų | 154 | 71 Ų | 71 | 71% | 0.713 | 37% | 0.368 | S | S | * | . | trans | -98.6 | 63.2 | -168.3 | -60.2 | -17.7 | 0 | 0 | 0 | 113.2 | A75 | A75-H77 PolarHBondContact O-N 3.32Š| ||
| 78 | F | 84.9 | Confident | 84.9 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 18% | 0.184 | 37% | 0.366 | C | S | . | . | trans | -128.7 | 154.1 | 174.8 | 61.8 | -78.7 | 0 | 0 | 0 | 111.1 | L44 I74 A75 P76 I80 V94 S95 R96 M97 | L44-F78 HydrophobicContact CD2-CE2 3.71Å; L44-F78 HydrophobicContact CD2-CZ 3.46Å; L44-F78 VanDerWaalsContact CD2-CZ 3.46Å; I74-F78 HydrophobicContact CG2-CD1 4.21Å; I74-F78 HydrophobicContact CG2-CE1 3.7Å; I74-F78 HydrophobicContact CG2-CZ 4.07Å; A75-F78 WeakPolarHBondContact O-CD1 3.44Å; A75-F78 VanDerWaalsContact O-CE1 3.25Å; A75-F78 WeakPolarHBondContact O-CE1 3.4Å; P76-F78 PolarHBondContact O-N 2.89Å; F78-I80 HydrophobicContact CD2-CD1 4.06Å; F78-I80 HydrophobicContact CD2-CG1 3.68Å; F78-I80 HydrophobicContact CE2-CD1 3.39Å; F78-I80 HydrophobicContact CE2-CG1 3.56Å; F78-I80 HydrophobicContact CZ-CD1 4.3Å; F78-V94 HydrophobicContact CD2-CG1 3.89Å; F78-S95 WeakPolarHBondContact CA-O 3.33Å; F78-S95 WeakPolarHBondContact CB-O 3.37Å; F78-R96 WeakPolarHBondContact CB-O 3.17Å; F78-M97 HydrophobicContact CB-CB 4.11Å; F78-M97 HydrophobicContact CB-CG 4.49Å; F78-M97 HydrophobicContact CD2-CG 4.42Å; F78-M97 HydrophobicContact CG-CB 4.46Å; F78-M97 HydrophobicContact CG-CG 4.34Å | ||
| 79 | E | 88.1 | Confident | 85.4 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.2 | 177.8 | -62.7 | -177.4 | -172.6 | 0 | 0 | 110.2 | K81 V94 S95 R96 | E79-K81 WeakPolarHBondContact OE2-CE 3.28Å; E79-K81 IonicContact OE2-NZ 3.22Å; E79-V94 CarbonylContact O-C 3.49Å; E79-V94 VanDerWaalsContact O-CA 3.28Å; E79-V94 WeakPolarHBondContact O-CA 3.48Å; E79-S95 PolarHBondContact N-O 3.05Å; E79-S95 PolarHBondContact O-N 3.46Å; E79-R96 VanDerWaalsContact CD-NH2 3.31Å; E79-R96 VanDerWaalsContact CG-NH2 3.32Å; E79-R96 IonicContact OE1-CZ 2.65Å; E79-R96 IonicContact OE1-NH1 3.79Å; E79-R96 IonicContact OE1-NH2 3.86Å; E79-R96 PolarHBondContact OE1-NH2 3.12Å |
| 80 | I | 88.6 | Confident | 86.1 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 115.4 | 170.1 | -51.8 | 171.9 | 0 | 0 | 0 | 107.7 | K40 L44 F78 T82 S93 V94 | K40-I80 HydrophobicContact CD-CB 4.16Å; K40-I80 HydrophobicContact CD-CD1 4.36Å; K40-I80 HydrophobicContact CD-CG2 4.13Å; K40-I80 HydrophobicContact CG-CD1 4.04Å; K40-I80 HydrophobicContact CG-CG2 4.24Å; K40-I80 PolarHBondContact NZ-O 2.84Å; L44-I80 HydrophobicContact CD1-CD1 3.98Å; L44-I80 HydrophobicContact CD2-CD1 3.62Å; L44-I80 HydrophobicContact CG-CD1 3.92Å; F78-I80 HydrophobicContact CD2-CD1 4.06Å; F78-I80 HydrophobicContact CD2-CG1 3.68Å; F78-I80 HydrophobicContact CE2-CD1 3.39Å; F78-I80 HydrophobicContact CE2-CG1 3.56Å; F78-I80 HydrophobicContact CZ-CD1 4.3Å; I80-T82 HydrophobicContact CG2-CG2 4.12Å; I80-S93 CarbonylContact C-O 3.59Å; I80-S93 WeakPolarHBondContact CA-O 3.34Å; I80-V94 HydrophobicContact CB-CG2 4.38Å; I80-V94 HydrophobicContact CG1-CG1 4.45Å; I80-V94 HydrophobicContact CG1-CG2 4Å; I80-V94 HydrophobicContact CG2-CG2 4.08Å |
| 81 | K | 92 | Very high | 86.8 | Confident | 130 Ų | 130 | 61.2 Ų | 61.2 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.9 | 173.1 | -64 | -180 | -175.9 | 172.9 | 0 | 108.9 | E79 S93 | E79-K81 WeakPolarHBondContact OE2-CE 3.28Å; E79-K81 IonicContact OE2-NZ 3.22Å; K81-S93 PolarHBondContact N-O 3.09Å; K81-S93 PolarHBondContact O-N 2.76Å |
| 82 | T | 90.6 | Very high | 87.5 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 135.9 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 108.4 | W39 I80 K91 F92 | W39-T82 HydrophobicContact CE3-CG2 4.34Å; W39-T82 HydrophobicContact CZ3-CG2 4.26Å; I80-T82 HydrophobicContact CG2-CG2 4.12Å; T82-K91 WeakPolarHBondContact CA-O 3.44Å; T82-F92 HydrophobicContact CG2-CD1 3.6Å; T82-F92 HydrophobicContact CG2-CE1 4.03Å |
| 83 | S | 91.1 | Very high | 88.1 | Confident | 55 Ų | 55 | 60.9 Ų | 60.9 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 163.2 | -178.5 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | F90 K91 | S83-F90 WeakPolarHBondContact O-CA 3.33Å; S83-K91 PolarHBondContact N-O 3.49Å; S83-K91 PolarHBondContact O-N 2.92Å |
| 84 | I | 91.7 | Very high | 88.6 | Confident | 29 Ų | 29 | 52 Ų | 52 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 138.4 | 168.8 | -161.4 | 167.8 | 0 | 0 | 0 | 109 | I32 G89 F90 I226 R228 F231 | I32-I84 HydrophobicContact CD1-CD1 3.58Å; I32-I84 HydrophobicContact CG1-CD1 4.23Å; I32-I84 HydrophobicContact CG2-CB 4.39Å; I32-I84 HydrophobicContact CG2-CD1 4.47Å; I84-G89 WeakPolarHBondContact CA-O 3.3Å; I84-G89 VanDerWaalsContact CG1-O 3.29Å; I84-G89 WeakPolarHBondContact CG1-O 3.34Å; I84-F90 HydrophobicContact CD1-CE1 4.48Å; I84-F90 HydrophobicContact CG1-CD1 4.46Å; I84-F90 HydrophobicContact CG1-CE1 4.43Å; I84-I226 HydrophobicContact CD1-CG2 3.69Å; I84-I226 HydrophobicContact CG1-CG2 3.58Å; I84-R228 WeakPolarHBondContact CG2-O 3.5Å; I84-F231 HydrophobicContact CD1-CB 4.15Å; I84-F231 HydrophobicContact CD1-CD2 4.5Å |
| 85 | E | 91.3 | Very high | 89.2 | Confident | 70 Ų | 70 | 52 Ų | 52 | 33% | 0.327 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112.9 | 177.4 | -170.8 | 165.9 | 175.2 | 0 | 0 | 108.6 | G87 V88 G89 V129 I226 | E85-G87 PolarHBondContact O-N 3.18Å; E85-V88 HydrophobicContact CB-CB 4.15Å; E85-V88 HydrophobicContact CG-CB 4.04Å; E85-V88 HydrophobicContact CG-CG2 4.12Å; E85-V88 PolarHBondContact O-N 3.22Å; E85-G89 PolarHBondContact N-O 3.42Å; E85-G89 PolarHBondContact O-N 2.95Å; E85-V129 WeakPolarHBondContact OE2-CG1 3.45Å; E85-I226 WeakPolarHBondContact O-CG2 3.46Å |
| 86 | Q | 92.7 | Very high | 89.7 | Confident | 115 Ų | 115 | 55.9 Ų | 55.9 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 128.6 | -172.2 | -175.4 | 177 | -0.9 | 0 | 0 | 111 | V88 I226 | Q86-V88 PolarHBondContact O-N 3.45Å; Q86-I226 WeakPolarHBondContact CG-O 3.49Å |
| 87 | G | 93.3 | Very high | 90.2 | Very high | 60 Ų | 60 | 51.1 Ų | 51.1 | 62% | 0.619 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -2.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | E85 I226 | E85-G87 PolarHBondContact O-N 3.18Å; G87-I226 PolarHBondContact N-O 2.96Å |
| 88 | V | 93.5 | Very high | 90.6 | Very high | 30 Ų | 30 | 46 Ų | 46 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -61.2 | -175.7 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | E85 Q86 V129 K131 V132 L144 | E85-V88 HydrophobicContact CB-CB 4.15Å; E85-V88 HydrophobicContact CG-CB 4.04Å; E85-V88 HydrophobicContact CG-CG2 4.12Å; E85-V88 PolarHBondContact O-N 3.22Å; Q86-V88 PolarHBondContact O-N 3.45Å; V88-V129 HydrophobicContact CG1-CG1 3.75Å; V88-K131 HydrophobicContact CG1-CB 4.14Å; V88-K131 HydrophobicContact CG1-CG 4.22Å; V88-K131 VanDerWaalsContact O-CA 3.28Å; V88-K131 WeakPolarHBondContact O-CA 3.09Å; V88-K131 WeakPolarHBondContact O-CG 3.39Å; V88-V132 PolarHBondContact O-N 3.26Å; V88-L144 HydrophobicContact CG1-CD2 3.68Å |
| 89 | G | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.8 | -125.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I84 E85 I130 | I84-G89 WeakPolarHBondContact CA-O 3.3Å; I84-G89 VanDerWaalsContact CG1-O 3.29Å; I84-G89 WeakPolarHBondContact CG1-O 3.34Å; E85-G89 PolarHBondContact N-O 3.42Å; E85-G89 PolarHBondContact O-N 2.95Å; G89-I130 CarbonylContact C-O 3.59Å; G89-I130 VanDerWaalsContact CA-O 3.29Å; G89-I130 WeakPolarHBondContact CA-O 3.47Å |
| 90 | F | 91.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.5 | -173 | -58.8 | -80.6 | 0 | 0 | 0 | 111.1 | I32 L36 S83 I84 F92 I130 V132 F197 F201 F231 | I32-F90 HydrophobicContact CG2-CE1 4.34Å; L36-F90 HydrophobicContact CD2-CD1 3.75Å; L36-F90 HydrophobicContact CD2-CE1 4.34Å; L36-F90 HydrophobicContact CD2-CG 4.42Å; L36-F90 HydrophobicContact CG-CD1 4.46Å; S83-F90 WeakPolarHBondContact O-CA 3.33Å; I84-F90 HydrophobicContact CD1-CE1 4.48Å; I84-F90 HydrophobicContact CG1-CD1 4.46Å; I84-F90 HydrophobicContact CG1-CE1 4.43Å; F90-F92 HydrophobicContact CB-CE2 3.54Å; F90-F92 HydrophobicContact CB-CZ 3.66Å; F90-F92 HydrophobicContact CG-CZ 4.47Å; F90-I130 PolarHBondContact N-O 2.99Å; F90-I130 PolarHBondContact O-N 2.84Å; F90-V132 HydrophobicContact CD2-CG2 3.79Å; F90-V132 HydrophobicContact CE2-CG2 3.84Å; F90-F197 AromaticContact CD2-CE2 3.46Å; F90-F197 HydrophobicContact CD2-CE2 3.46Å; F90-F197 VanDerWaalsContact CD2-CE2 3.46Å; F90-F197 AromaticContact CD2-CZ 3.82Å; F90-F197 HydrophobicContact CD2-CZ 3.82Å; F90-F197 AromaticContact CE2-CE2 3.77Å; F90-F197 HydrophobicContact CE2-CE2 3.77Å; F90-F197 AromaticContact CE2-CZ 3.76Å; F90-F197 HydrophobicContact CE2-CZ 3.76Å; F90-F197 HydrophobicContact CG-CE2 4.35Å; F90-F201 HydrophobicContact CE2-CE2 4.13Å; F90-F201 HydrophobicContact CE2-CZ 4.08Å; F90-F201 HydrophobicContact CZ-CE2 4.34Å; F90-F201 AromaticContact CZ-CZ 3.91Å; F90-F201 HydrophobicContact CZ-CZ 3.91Å; F90-F231 HydrophobicContact CE2-CE2 4.28Å; F90-F231 HydrophobicContact CZ-CD2 4.16Å; F90-F231 HydrophobicContact CZ-CE2 4.32Å |
| 91 | K | 91.7 | Very high | 90.1 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 33% | 0.326 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.4 | 177.2 | 179.6 | 173.1 | -178.8 | 173.4 | 0 | 110.4 | T82 S83 A128 V129 | T82-K91 WeakPolarHBondContact CA-O 3.44Å; S83-K91 PolarHBondContact N-O 3.49Å; S83-K91 PolarHBondContact O-N 2.92Å; K91-A128 WeakPolarHBondContact CA-O 3.13Å; K91-V129 HydrophobicContact CB-CG2 4.46Å; K91-V129 HydrophobicContact CD-CG2 4.4Å; K91-V129 HydrophobicContact CG-CG2 4.16Å |
| 92 | F | 90.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124 | -179.1 | -55.2 | -84.5 | 0 | 0 | 0 | 108.9 | L36 W39 T82 F90 N127 A128 I130 | L36-F92 HydrophobicContact CD2-CE1 3.7Å; L36-F92 HydrophobicContact CD2-CZ 3.95Å; W39-F92 AromaticContact CD2-CD1 3.95Å; W39-F92 HydrophobicContact CD2-CD1 3.95Å; W39-F92 AromaticContact CD2-CE1 3.41Å; W39-F92 HydrophobicContact CD2-CE1 3.41Å; W39-F92 VanDerWaalsContact CD2-CE1 3.41Å; W39-F92 HydrophobicContact CD2-CZ 4.03Å; W39-F92 AromaticContact CE2-CD1 3.99Å; W39-F92 AromaticContact CE2-CE1 3.6Å; W39-F92 AromaticContact CE2-CZ 3.88Å; W39-F92 AromaticContact CE3-CD1 3.5Å; W39-F92 HydrophobicContact CE3-CD1 3.5Å; W39-F92 VanDerWaalsContact CE3-CD1 3.5Å; W39-F92 AromaticContact CE3-CE1 3.34Å; W39-F92 HydrophobicContact CE3-CE1 3.34Å; W39-F92 HydrophobicContact CE3-CZ 4.37Å; W39-F92 HydrophobicContact CG-CE1 4.1Å; W39-F92 HydrophobicContact CG-CZ 4.44Å; W39-F92 HydrophobicContact CH2-CB 3.95Å; W39-F92 AromaticContact CH2-CD1 3.19Å; W39-F92 HydrophobicContact CH2-CD1 3.19Å; W39-F92 HydrophobicContact CH2-CD2 4.35Å; W39-F92 AromaticContact CH2-CE1 3.71Å; W39-F92 HydrophobicContact CH2-CE1 3.71Å; W39-F92 AromaticContact CH2-CG 3.56Å; W39-F92 HydrophobicContact CH2-CG 3.56Å; W39-F92 HydrophobicContact CH2-CZ 4.47Å; W39-F92 AromaticContact CZ2-CD1 3.59Å; W39-F92 HydrophobicContact CZ2-CD1 3.59Å; W39-F92 HydrophobicContact CZ2-CD2 4.2Å; W39-F92 AromaticContact CZ2-CE1 3.69Å; W39-F92 HydrophobicContact CZ2-CE1 3.69Å; W39-F92 HydrophobicContact CZ2-CE2 4.3Å; W39-F92 AromaticContact CZ2-CG 3.86Å; W39-F92 HydrophobicContact CZ2-CG 3.86Å; W39-F92 HydrophobicContact CZ2-CZ 4.05Å; W39-F92 HydrophobicContact CZ3-CB 4.44Å; W39-F92 AromaticContact CZ3-CD1 3.15Å; W39-F92 HydrophobicContact CZ3-CD1 3.15Å; W39-F92 AromaticContact CZ3-CE1 3.56Å; W39-F92 HydrophobicContact CZ3-CE1 3.56Å; W39-F92 AromaticContact CZ3-CG 3.99Å; W39-F92 HydrophobicContact CZ3-CG 3.99Å; T82-F92 HydrophobicContact CG2-CD1 3.6Å; T82-F92 HydrophobicContact CG2-CE1 4.03Å; F90-F92 HydrophobicContact CB-CE2 3.54Å; F90-F92 HydrophobicContact CB-CZ 3.66Å; F90-F92 HydrophobicContact CG-CZ 4.47Å; F92-N127 CarbonylContact O-C 3.56Å; F92-N127 WeakPolarHBondContact O-CA 3.39Å; F92-A128 PolarHBondContact N-O 3.35Å; F92-A128 PolarHBondContact O-N 2.99Å; F92-I130 HydrophobicContact CD2-CD1 4.06Å; F92-I130 HydrophobicContact CD2-CG1 4.14Å; F92-I130 HydrophobicContact CE2-CB 4.34Å; F92-I130 HydrophobicContact CE2-CD1 3.53Å; F92-I130 HydrophobicContact CE2-CG1 3.84Å; F92-I130 HydrophobicContact CZ-CD1 4.42Å |
| 93 | S | 92 | Very high | 89.5 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.1 | -178.9 | -67.5 | 0 | 0 | 0 | 0 | 108.9 | I80 K81 F126 N127 | I80-S93 CarbonylContact C-O 3.59Å; I80-S93 WeakPolarHBondContact CA-O 3.34Å; K81-S93 PolarHBondContact N-O 3.09Å; K81-S93 PolarHBondContact O-N 2.76Å; S93-F126 CarbonylContact C-O 3.48Å; S93-F126 WeakPolarHBondContact CA-O 3.23Å; S93-N127 WeakPolarHBondContact CB-OD1 3.38Å; S93-N127 PolarHBondContact OG-OD1 3.1Å |
| 94 | V | 89.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.1 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | F78 E79 I80 M97 S125 F126 | F78-V94 HydrophobicContact CD2-CG1 3.89Å; E79-V94 CarbonylContact O-C 3.49Å; E79-V94 VanDerWaalsContact O-CA 3.28Å; E79-V94 WeakPolarHBondContact O-CA 3.48Å; I80-V94 HydrophobicContact CB-CG2 4.38Å; I80-V94 HydrophobicContact CG1-CG1 4.45Å; I80-V94 HydrophobicContact CG1-CG2 4Å; I80-V94 HydrophobicContact CG2-CG2 4.08Å; V94-M97 HydrophobicContact CG1-CB 3.96Å; V94-M97 HydrophobicContact CG1-CE 4.47Å; V94-M97 HydrophobicContact CG1-CG 4.34Å; V94-M97 HydrophobicContact CG1-SD 3.81Å; V94-S125 CarbonylContact O-C 3.55Å; V94-S125 WeakPolarHBondContact O-CA 3.46Å; V94-S125 WeakPolarHBondContact O-CB 3.42Å; V94-F126 HydrophobicContact CB-CD1 3.75Å; V94-F126 HydrophobicContact CB-CD2 4.47Å; V94-F126 HydrophobicContact CB-CE1 3.4Å; V94-F126 HydrophobicContact CB-CE2 4.16Å; V94-F126 HydrophobicContact CB-CG 4.29Å; V94-F126 HydrophobicContact CB-CZ 3.63Å; V94-F126 HydrophobicContact CG1-CD1 4.37Å; V94-F126 HydrophobicContact CG1-CE1 3.91Å; V94-F126 HydrophobicContact CG1-CZ 4.45Å; V94-F126 HydrophobicContact CG2-CD1 4.28Å; V94-F126 HydrophobicContact CG2-CD2 4.47Å; V94-F126 HydrophobicContact CG2-CE1 3.5Å; V94-F126 HydrophobicContact CG2-CE2 3.73Å; V94-F126 HydrophobicContact CG2-CZ 3.18Å; V94-F126 PolarHBondContact N-O 3.32Å; V94-F126 PolarHBondContact O-N 2.93Å |
| 95 | S | 91.5 | Very high | 88.6 | Confident | 40 Ų | 40 | 35.9 Ų | 35.9 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 152.5 | -179.8 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | F78 E79 M97 | F78-S95 WeakPolarHBondContact CA-O 3.33Å; F78-S95 WeakPolarHBondContact CB-O 3.37Å; E79-S95 PolarHBondContact N-O 3.05Å; E79-S95 PolarHBondContact O-N 3.46Å; S95-M97 VanDerWaalsContact C-N 3.28Å; S95-M97 PolarHBondContact O-N 2.99Å |
| 96 | R | 90.2 | Very high | 87.9 | Confident | 116 Ų | 116 | 33.4 Ų | 33.4 | 44% | 0.438 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.2 | 35.5 | -178.8 | -46.3 | -168.8 | -62.8 | -139.7 | -8 | 113.9 | F78 E79 E123 L124 | F78-R96 WeakPolarHBondContact CB-O 3.17Å; E79-R96 VanDerWaalsContact CD-NH2 3.31Å; E79-R96 VanDerWaalsContact CG-NH2 3.32Å; E79-R96 IonicContact OE1-CZ 2.65Å; E79-R96 IonicContact OE1-NH1 3.79Å; E79-R96 IonicContact OE1-NH2 3.86Å; E79-R96 PolarHBondContact OE1-NH2 3.12Å; R96-E123 VanDerWaalsContact CA-OE2 3.28Å; R96-E123 WeakPolarHBondContact CA-OE2 3.22Å; R96-E123 WeakPolarHBondContact CB-OE2 3.29Å; R96-E123 VanDerWaalsContact CG-OE2 3.24Å; R96-E123 WeakPolarHBondContact CG-OE2 3.32Å; R96-L124 PolarHBondContact N-O 2.92Å |
| 97 | M | 87.2 | Confident | 86.9 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.2 | -178.3 | -169.3 | 177.3 | 59.1 | 0 | 0 | 110 | I74 F78 V94 S95 I99 L124 F126 L185 | I74-M97 HydrophobicContact CG2-CG 4.05Å; F78-M97 HydrophobicContact CB-CB 4.11Å; F78-M97 HydrophobicContact CB-CG 4.49Å; F78-M97 HydrophobicContact CD2-CG 4.42Å; F78-M97 HydrophobicContact CG-CB 4.46Å; F78-M97 HydrophobicContact CG-CG 4.34Å; V94-M97 HydrophobicContact CG1-CB 3.96Å; V94-M97 HydrophobicContact CG1-CE 4.47Å; V94-M97 HydrophobicContact CG1-CG 4.34Å; V94-M97 HydrophobicContact CG1-SD 3.81Å; S95-M97 VanDerWaalsContact C-N 3.28Å; S95-M97 PolarHBondContact O-N 2.99Å; M97-I99 HydrophobicContact CE-CD1 3.39Å; M97-I99 HydrophobicContact CE-CG1 4.09Å; M97-I99 HydrophobicContact CG-CD1 4.03Å; M97-I99 HydrophobicContact CG-CG1 3.79Å; M97-I99 HydrophobicContact SD-CD1 3.66Å; M97-I99 HydrophobicContact SD-CG1 4.13Å; M97-L124 HydrophobicContact CB-CB 4.19Å; M97-L124 WeakPolarHBondContact CB-O 3.33Å; M97-L124 HydrophobicContact CE-CB 3.99Å; M97-L124 HydrophobicContact CE-CD1 4.35Å; M97-L124 PolarHBondContact N-O 2.8Å; M97-L124 WeakPolarHBondContact O-CA 3.46Å; M97-L124 WeakPolarHBondContact O-CB 3.48Å; M97-L124 PolarHBondContact O-N 2.97Å; M97-F126 HydrophobicContact CE-CD1 3.96Å; M97-F126 HydrophobicContact CE-CE1 3.83Å; M97-F126 HydrophobicContact SD-CE1 4.27Å; M97-L185 HydrophobicContact CE-CD1 4.44Å |
| 98 | N | 88.4 | Confident | 85.6 | Confident | 46 Ų | 46 | 32.6 Ų | 32.6 | 25% | 0.246 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.1 | 173.4 | -58.6 | -27.7 | 0 | 0 | 0 | 108.4 | I74 A75 P122 E123 | I74-N98 WeakPolarHBondContact CA-O 3.4Å; A75-N98 HydrophobicContact CB-CB 3.78Å; A75-N98 PolarHBondContact N-O 2.65Å; N98-P122 VanDerWaalsContact OD1-CA 3.31Å; N98-P122 WeakPolarHBondContact OD1-CA 3.38Å; N98-E123 PolarHBondContact OD1-N 2.83Å |
| 99 | I | 83.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.5 | -179.4 | -59.1 | -170.1 | 0 | 0 | 0 | 109.7 | M47 A71 I74 M97 Y101 V121 L124 | M47-I99 HydrophobicContact CE-CD1 4.02Å; A71-I99 HydrophobicContact CB-CG2 4.42Å; I74-I99 HydrophobicContact CD1-CD1 4.47Å; I74-I99 HydrophobicContact CG1-CD1 4.45Å; I74-I99 HydrophobicContact CG1-CG1 4.17Å; I74-I99 HydrophobicContact CG2-CG1 4.33Å; M97-I99 HydrophobicContact CE-CD1 3.39Å; M97-I99 HydrophobicContact CE-CG1 4.09Å; M97-I99 HydrophobicContact CG-CD1 4.03Å; M97-I99 HydrophobicContact CG-CG1 3.79Å; M97-I99 HydrophobicContact SD-CD1 3.66Å; M97-I99 HydrophobicContact SD-CG1 4.13Å; I99-Y101 HydrophobicContact CB-CE2 4.01Å; I99-Y101 HydrophobicContact CG2-CD2 3.89Å; I99-Y101 HydrophobicContact CG2-CE1 4.18Å; I99-Y101 HydrophobicContact CG2-CE2 3.5Å; I99-Y101 VanDerWaalsContact CG2-CE2 3.5Å; I99-Y101 HydrophobicContact CG2-CG 4.38Å; I99-V121 PolarHBondContact N-O 2.88Å; I99-V121 VanDerWaalsContact N-O 3.14Å; I99-V121 PolarHBondContact O-N 3.04Å; I99-L124 HydrophobicContact CB-CD1 4.18Å; I99-L124 HydrophobicContact CD1-CD1 4.23Å; I99-L124 HydrophobicContact CG1-CD1 4.17Å |
| 100 | D | 85 | Confident | 82.7 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 139.2 | 161.3 | -66 | -29.8 | 0 | 0 | 0 | 109.7 | G72 R73 Y102 A119 N120 | G72-D100 VanDerWaalsContact CA-O 3.28Å; G72-D100 WeakPolarHBondContact CA-O 3.37Å; G72-D100 PolarHBondContact N-O 2.88Å; R73-D100 PolarHBondContact O-N 3Å; D100-Y102 HydrophobicContact CB-CE2 4.46Å; D100-A119 CarbonylContact C-O 3.57Å; D100-A119 WeakPolarHBondContact CA-O 3.38Å; D100-N120 WeakPolarHBondContact OD1-CB 3.34Å; D100-N120 PolarHBondContact OD1-ND2 2.99Å |
| 101 | Y | 81.7 | Confident | 81.4 | Confident | 29 Ų | 29 | 47.6 Ų | 47.6 | 11% | 0.114 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.4 | 167.4 | -68.8 | -86.9 | 0 | 0 | 0 | 110 | L69 R70 A71 I99 Q118 A119 V121 | L69-Y101 HydrophobicContact CD1-CD1 4.35Å; L69-Y101 HydrophobicContact CD1-CG 4.36Å; L69-Y101 HydrophobicContact CD2-CD1 4.3Å; L69-Y101 HydrophobicContact CG-CD1 4.2Å; R70-Y101 WeakPolarHBondContact O-CA 3.34Å; A71-Y101 HydrophobicContact CB-CD1 4.46Å; A71-Y101 HydrophobicContact CB-CE1 4.2Å; I99-Y101 HydrophobicContact CB-CE2 4.01Å; I99-Y101 HydrophobicContact CG2-CD2 3.89Å; I99-Y101 HydrophobicContact CG2-CE1 4.18Å; I99-Y101 HydrophobicContact CG2-CE2 3.5Å; I99-Y101 VanDerWaalsContact CG2-CE2 3.5Å; I99-Y101 HydrophobicContact CG2-CG 4.38Å; Y101-Q118 CarbonylContact O-C 3.56Å; Y101-Q118 WeakPolarHBondContact O-CA 3.48Å; Y101-A119 PolarHBondContact N-O 2.9Å; Y101-A119 PolarHBondContact O-N 2.94Å; Y101-V121 HydrophobicContact CD2-CG2 3.95Å; Y101-V121 HydrophobicContact CE2-CG2 4.07Å |
| 102 | Y | 85.1 | Confident | 80.3 | Confident | 68 Ų | 68 | 47 Ų | 47 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.8 | 174.3 | -58.5 | -70.6 | 0 | 0 | 0 | 109.4 | N68 L69 R70 D100 M117 Q118 | N68-Y102 VanDerWaalsContact O-O 3.13Å; L69-Y102 CarbonylContact C-O 3.53Å; L69-Y102 VanDerWaalsContact CA-O 3.28Å; L69-Y102 WeakPolarHBondContact CA-O 3.48Å; R70-Y102 PolarHBondContact N-O 3.47Å; R70-Y102 PolarHBondContact O-N 2.99Å; D100-Y102 HydrophobicContact CB-CE2 4.46Å; Y102-M117 WeakPolarHBondContact CA-O 3.47Å; Y102-Q118 HydrophobicContact CD1-CB 4.07Å; Y102-Q118 HydrophobicContact CD1-CG 4.01Å; Y102-Q118 HydrophobicContact CE1-CB 4.07Å; Y102-Q118 VanDerWaalsContact CE1-CD 3.47Å; Y102-Q118 HydrophobicContact CE1-CG 3.62Å |
| 103 | G | 85.1 | Confident | 79.5 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | -172.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | M117 | G103-M117 PolarHBondContact N-O 2.94Å; G103-M117 WeakPolarHBondContact O-CG 3.48Å; G103-M117 PolarHBondContact O-N 2.77Å |
| 104 | S | 84.5 | Confident | 78.9 | Confident | 30 Ų | 30 | 54 Ų | 54 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 115.6 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | N67 P114 V115 | N67-S104 PolarHBondContact N-O 3.11Å; N67-S104 PolarHBondContact O-N 3.34Å; S104-P114 WeakPolarHBondContact OG-CB 3.41Å; S104-V115 CarbonylContact C-O 3.53Å; S104-V115 WeakPolarHBondContact CA-O 3.46Å |
| 105 | L | 79.3 | Confident | 78.6 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.1 | -176 | -161.1 | 67.6 | 0 | 0 | 0 | 110 | I64 I66 P114 V115 M117 F158 L166 L169 | I64-L105 HydrophobicContact CG2-CD1 3.28Å; I64-L105 HydrophobicContact CG2-CD2 4.39Å; I64-L105 HydrophobicContact CG2-CG 3.71Å; I66-L105 HydrophobicContact CB-CD1 4.5Å; I66-L105 HydrophobicContact CD1-CD1 4.36Å; I66-L105 HydrophobicContact CG1-CD1 3.42Å; I66-L105 VanDerWaalsContact CG1-CD1 3.42Å; L105-P114 CarbonylContact O-C 3.59Å; L105-P114 VanDerWaalsContact O-CA 3.28Å; L105-P114 WeakPolarHBondContact O-CA 3.39Å; L105-V115 PolarHBondContact N-O 2.82Å; L105-V115 PolarHBondContact O-N 2.82Å; L105-M117 HydrophobicContact CB-SD 4.22Å; L105-M117 HydrophobicContact CD1-SD 4.02Å; L105-F158 HydrophobicContact CD2-CE1 3.61Å; L105-F158 HydrophobicContact CD2-CZ 4.1Å; L105-L166 HydrophobicContact CD2-CD1 3.71Å; L105-L166 HydrophobicContact CD2-CD2 3.5Å; L105-L166 HydrophobicContact CD2-CG 4.24Å; L105-L166 HydrophobicContact CG-CD1 3.99Å; L105-L166 HydrophobicContact CG-CD2 3.96Å; L105-L169 HydrophobicContact CD2-CD1 4.21Å |
| 106 | A | 77.9 | Confident | 78.4 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V65 P114 | V65-A106 PolarHBondContact N-O 3.31Å; V65-A106 PolarHBondContact O-N 3.25Å; A106-P114 HydrophobicContact CB-CB 4.03Å |
| 107 | P | 72.3 | Confident | 78.1 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 141.6 | 169.6 | -2.8 | 20.1 | 0 | 0 | 0 | 109 | T110 P163 A165 L166 | P107-T110 HydrophobicContact CB-CG2 4.08Å; P107-T110 WeakPolarHBondContact CB-OG1 3.36Å; P107-T110 HydrophobicContact CG-CG2 4.43Å; P107-T110 WeakPolarHBondContact CG-OG1 3.39Å; P107-P163 HydrophobicContact CG-CB 4.46Å; P107-A165 HydrophobicContact CB-CB 4.04Å; P107-A165 HydrophobicContact CG-CB 4.1Å; P107-L166 HydrophobicContact CG-CD1 4.27Å; P107-L166 HydrophobicContact CG-CG 4.35Å |
| 108 | Y | 65.8 | Low | 78 | Confident | 144 Ų | 144 | 52.3 Ų | 52.3 | 57% | 0.565 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -66.2 | -40.3 | -175.4 | 177.6 | -112.7 | 0 | 0 | 0 | 113.6 | Y63 | Y63-Y108 AromaticContact CD1-CD1 3.81Å; Y63-Y108 HydrophobicContact CD1-CD1 3.81Å; Y63-Y108 HydrophobicContact CD1-CE1 4.47Å; Y63-Y108 AromaticContact CD1-CG 3.89Å; Y63-Y108 HydrophobicContact CD1-CG 3.89Å; Y63-Y108 HydrophobicContact CD2-CD2 4.45Å; Y63-Y108 HydrophobicContact CD2-CG 4.12Å; Y63-Y108 AromaticContact CE1-CD1 3.11Å; Y63-Y108 HydrophobicContact CE1-CD1 3.11Å; Y63-Y108 AromaticContact CE1-CD2 3.78Å; Y63-Y108 HydrophobicContact CE1-CD2 3.78Å; Y63-Y108 AromaticContact CE1-CE1 3.44Å; Y63-Y108 HydrophobicContact CE1-CE1 3.44Å; Y63-Y108 VanDerWaalsContact CE1-CE1 3.44Å; Y63-Y108 HydrophobicContact CE1-CE2 4.08Å; Y63-Y108 AromaticContact CE1-CG 3.26Å; Y63-Y108 HydrophobicContact CE1-CG 3.26Å; Y63-Y108 AromaticContact CE1-CZ 3.89Å; Y63-Y108 HydrophobicContact CE2-CD1 4.28Å; Y63-Y108 AromaticContact CE2-CD2 3.48Å; Y63-Y108 HydrophobicContact CE2-CD2 3.48Å; Y63-Y108 VanDerWaalsContact CE2-CD2 3.48Å; Y63-Y108 HydrophobicContact CE2-CE2 4.16Å; Y63-Y108 AromaticContact CE2-CG 3.52Å; Y63-Y108 HydrophobicContact CE2-CG 3.52Å; Y63-Y108 HydrophobicContact CG-CG 4.31Å; Y63-Y108 AromaticContact CZ-CD1 3.45Å; Y63-Y108 VanDerWaalsContact CZ-CD1 3.45Å; Y63-Y108 AromaticContact CZ-CD2 3.1Å; Y63-Y108 AromaticContact CZ-CE1 3.71Å; Y63-Y108 AromaticContact CZ-CE2 3.42Å; Y63-Y108 VanDerWaalsContact CZ-CE2 3.42Å; Y63-Y108 AromaticContact CZ-CG 3.09Å; Y63-Y108 AromaticContact CZ-CZ 3.68Å; Y63-Y108 WeakPolarHBondContact O-CB 3.46Å; Y63-Y108 PolarHBondContact O-N 3.13Å; Y63-Y108 VanDerWaalsContact O-N 3.11Å; Y63-Y108 WeakPolarHBondContact OH-CD2 3.42Å; Y63-Y108 WeakPolarHBondContact OH-CE2 3.35Å |
| 109 | S | 64 | Low | 77.7 | Confident | 92 Ų | 92 | 50.6 Ų | 50.6 | 64% | 0.643 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -99.5 | 3.1 | -168.4 | -167.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 110 | T | 59.5 | Low | 77.8 | Confident | 49 Ų | 49 | 53 Ų | 53 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | trans | -112.1 | 141.5 | -173.9 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | P107 E112 A165 | P107-T110 HydrophobicContact CB-CG2 4.08Å; P107-T110 WeakPolarHBondContact CB-OG1 3.36Å; P107-T110 HydrophobicContact CG-CG2 4.43Å; P107-T110 WeakPolarHBondContact CG-OG1 3.39Å; T110-E112 HydrophobicContact CG2-CG 4.5Å; T110-E112 PolarHBondContact O-N 2.97Å; T110-A165 HydrophobicContact CG2-CB 3.96Å | ||
| 111 | Q | 64.3 | Low | 77.8 | Confident | 206 Ų | 206 | 52 Ų | 52 | 96% | 0.963 | 29% | 0.286 | S | S | * | . | trans | -69.6 | 9.9 | 165 | -66.4 | -178.6 | -1.1 | 0 | 0 | 112.8 | ||||
| 112 | E | 69.1 | Low | 78.1 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 138.3 | 177.7 | -68.9 | 178.8 | 145.6 | 0 | 0 | 110.4 | T110 P163 R164 | T110-E112 HydrophobicContact CG2-CG 4.5Å; T110-E112 PolarHBondContact O-N 2.97Å; E112-P163 HydrophobicContact CB-CB 4.12Å; E112-P163 VanDerWaalsContact CD-CB 3.43Å; E112-P163 HydrophobicContact CG-CB 4.29Å; E112-P163 WeakPolarHBondContact OE2-CB 3.46Å; E112-R164 PolarHBondContact OE1-N 2.88Å |
| 113 | P | 74 | Confident | 78.3 | Confident | 97 Ų | 97 | 52.3 Ų | 52.3 | 63% | 0.63 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 147 | 179.4 | 27.5 | -34.1 | 0 | 0 | 0 | 110.7 | ||
| 114 | P | 78.7 | Confident | 78.4 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 142.4 | 178.6 | 33 | -37.5 | 0 | 0 | 0 | 110.7 | S104 L105 A106 | S104-P114 WeakPolarHBondContact OG-CB 3.41Å; L105-P114 CarbonylContact O-C 3.59Å; L105-P114 VanDerWaalsContact O-CA 3.28Å; L105-P114 WeakPolarHBondContact O-CA 3.39Å; A106-P114 HydrophobicContact CB-CB 4.03Å |
| 115 | V | 83.3 | Confident | 78.7 | Confident | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.8 | -176.5 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | S104 L105 M117 F158 P163 | S104-V115 CarbonylContact C-O 3.53Å; S104-V115 WeakPolarHBondContact CA-O 3.46Å; L105-V115 PolarHBondContact N-O 2.82Å; L105-V115 PolarHBondContact O-N 2.82Å; V115-M117 PolarHBondContact O-N 3.39Å; V115-F158 HydrophobicContact CG1-CB 3.97Å; V115-F158 HydrophobicContact CG1-CD1 4.3Å; V115-P163 HydrophobicContact CG2-CG 3.69Å |
| 116 | A | 87.4 | Confident | 79.3 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | F158 N159 | A116-F158 WeakPolarHBondContact O-CA 3.4Å; A116-N159 HydrophobicContact CB-CB 4.24Å; A116-N159 PolarHBondContact O-N 3.42Å |
| 117 | M | 83.7 | Confident | 80 | Confident | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.069 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.8 | -179.5 | 68.3 | 170.4 | -144.9 | 0 | 0 | 111.3 | I66 L69 Y102 G103 L105 V115 Q157 F158 | I66-M117 HydrophobicContact CB-CE 4.3Å; I66-M117 HydrophobicContact CD1-CE 3.96Å; I66-M117 HydrophobicContact CD1-SD 4.37Å; I66-M117 HydrophobicContact CG1-CE 4.03Å; I66-M117 HydrophobicContact CG1-SD 4.1Å; I66-M117 HydrophobicContact CG2-CE 3.28Å; I66-M117 HydrophobicContact CG2-SD 4Å; L69-M117 HydrophobicContact CD1-CE 3.42Å; L69-M117 VanDerWaalsContact CD1-CE 3.42Å; Y102-M117 WeakPolarHBondContact CA-O 3.47Å; G103-M117 PolarHBondContact N-O 2.94Å; G103-M117 WeakPolarHBondContact O-CG 3.48Å; G103-M117 PolarHBondContact O-N 2.77Å; L105-M117 HydrophobicContact CB-SD 4.22Å; L105-M117 HydrophobicContact CD1-SD 4.02Å; V115-M117 PolarHBondContact O-N 3.39Å; M117-Q157 CarbonylContact C-O 3.5Å; M117-Q157 WeakPolarHBondContact CA-O 3.2Å; M117-F158 HydrophobicContact CB-CD1 3.72Å; M117-F158 HydrophobicContact CB-CE1 3.66Å |
| 118 | Q | 85.8 | Confident | 80.9 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.3 | 165.9 | 178.5 | 173.2 | -1.4 | 0 | 0 | 108.4 | Y101 Y102 L156 Q157 | Y101-Q118 CarbonylContact O-C 3.56Å; Y101-Q118 WeakPolarHBondContact O-CA 3.48Å; Y102-Q118 HydrophobicContact CD1-CB 4.07Å; Y102-Q118 HydrophobicContact CD1-CG 4.01Å; Y102-Q118 HydrophobicContact CE1-CB 4.07Å; Y102-Q118 VanDerWaalsContact CE1-CD 3.47Å; Y102-Q118 HydrophobicContact CE1-CG 3.62Å; Q118-L156 WeakPolarHBondContact O-CA 3.45Å; Q118-Q157 HydrophobicContact CB-CB 4.43Å; Q118-Q157 PolarHBondContact N-O 2.78Å; Q118-Q157 PolarHBondContact O-N 2.87Å |
| 119 | A | 81.1 | Confident | 82.2 | Confident | 10 Ų | 10 | 47 Ų | 47 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | D100 Y101 T155 L156 | D100-A119 CarbonylContact C-O 3.57Å; D100-A119 WeakPolarHBondContact CA-O 3.38Å; Y101-A119 PolarHBondContact N-O 2.9Å; Y101-A119 PolarHBondContact O-N 2.94Å; A119-T155 CarbonylContact C-O 3.56Å; A119-T155 VanDerWaalsContact CA-O 3.29Å; A119-T155 WeakPolarHBondContact CA-O 3.44Å; A119-L156 HydrophobicContact CB-CD2 3.48Å; A119-L156 VanDerWaalsContact CB-CD2 3.48Å |
| 120 | N | 86.1 | Confident | 83.5 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.8 | 171.6 | 173.8 | -86.3 | 0 | 0 | 0 | 109.1 | D100 A154 T155 | D100-N120 WeakPolarHBondContact OD1-CB 3.34Å; D100-N120 PolarHBondContact OD1-ND2 2.99Å; N120-A154 CarbonylContact O-C 3.53Å; N120-A154 VanDerWaalsContact O-CA 3.31Å; N120-A154 WeakPolarHBondContact O-CA 3.39Å; N120-T155 WeakPolarHBondContact CB-OG1 3.32Å; N120-T155 PolarHBondContact N-O 2.81Å; N120-T155 PolarHBondContact O-N 3.21Å |
| 121 | V | 84.7 | Confident | 85 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 103 | -178.8 | -164.6 | 0 | 0 | 0 | 0 | 108.8 | I99 Y101 L124 A154 V181 | I99-V121 PolarHBondContact N-O 2.88Å; I99-V121 VanDerWaalsContact N-O 3.14Å; I99-V121 PolarHBondContact O-N 3.04Å; Y101-V121 HydrophobicContact CD2-CG2 3.95Å; Y101-V121 HydrophobicContact CE2-CG2 4.07Å; V121-L124 HydrophobicContact CB-CD1 3.91Å; V121-L124 HydrophobicContact CB-CD2 4.49Å; V121-L124 HydrophobicContact CB-CG 4.14Å; V121-L124 HydrophobicContact CG1-CD1 3.81Å; V121-L124 HydrophobicContact CG1-CD2 3.5Å; V121-L124 VanDerWaalsContact CG1-CD2 3.5Å; V121-L124 HydrophobicContact CG1-CG 3.61Å; V121-A154 HydrophobicContact CG2-CB 3.93Å; V121-V181 HydrophobicContact CG1-CG1 3.98Å |
| 122 | P | 88.4 | Confident | 86.2 | Confident | 31 Ų | 31 | 35 Ų | 35 | 20% | 0.201 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 152.9 | -176.7 | 31.7 | -31.6 | 0 | 0 | 0 | 112.3 | N98 L124 | N98-P122 VanDerWaalsContact OD1-CA 3.31Å; N98-P122 WeakPolarHBondContact OD1-CA 3.38Å; P122-L124 PolarHBondContact O-N 2.79Å |
| 123 | E | 89.1 | Confident | 87.3 | Confident | 72 Ų | 72 | 33.3 Ų | 33.3 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.8 | 35.3 | 171.4 | -64.2 | -74.7 | 160.4 | 0 | 0 | 113.9 | R96 N98 S125 P151 Y152 | R96-E123 VanDerWaalsContact CA-OE2 3.28Å; R96-E123 WeakPolarHBondContact CA-OE2 3.22Å; R96-E123 WeakPolarHBondContact CB-OE2 3.29Å; R96-E123 VanDerWaalsContact CG-OE2 3.24Å; R96-E123 WeakPolarHBondContact CG-OE2 3.32Å; N98-E123 PolarHBondContact OD1-N 2.83Å; E123-S125 PolarHBondContact O-N 2.9Å; E123-P151 HydrophobicContact CB-CG 4.08Å; E123-P151 VanDerWaalsContact O-CD 3.27Å; E123-P151 WeakPolarHBondContact O-CD 3.16Å; E123-Y152 HydrophobicContact CB-CD2 3.81Å; E123-Y152 HydrophobicContact CB-CE2 3.78Å; E123-Y152 HydrophobicContact CG-CD2 4.1Å; E123-Y152 HydrophobicContact CG-CE2 3.78Å |
| 124 | L | 87.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 136.6 | 172.1 | -70.2 | 174.5 | 0 | 0 | 0 | 110.2 | R96 M97 I99 V121 P122 A150 V181 L185 | R96-L124 PolarHBondContact N-O 2.92Å; M97-L124 HydrophobicContact CB-CB 4.19Å; M97-L124 WeakPolarHBondContact CB-O 3.33Å; M97-L124 HydrophobicContact CE-CB 3.99Å; M97-L124 HydrophobicContact CE-CD1 4.35Å; M97-L124 PolarHBondContact N-O 2.8Å; M97-L124 WeakPolarHBondContact O-CA 3.46Å; M97-L124 WeakPolarHBondContact O-CB 3.48Å; M97-L124 PolarHBondContact O-N 2.97Å; I99-L124 HydrophobicContact CB-CD1 4.18Å; I99-L124 HydrophobicContact CD1-CD1 4.23Å; I99-L124 HydrophobicContact CG1-CD1 4.17Å; V121-L124 HydrophobicContact CB-CD1 3.91Å; V121-L124 HydrophobicContact CB-CD2 4.49Å; V121-L124 HydrophobicContact CB-CG 4.14Å; V121-L124 HydrophobicContact CG1-CD1 3.81Å; V121-L124 HydrophobicContact CG1-CD2 3.5Å; V121-L124 VanDerWaalsContact CG1-CD2 3.5Å; V121-L124 HydrophobicContact CG1-CG 3.61Å; P122-L124 PolarHBondContact O-N 2.79Å; L124-A150 HydrophobicContact CD2-CB 3.48Å; L124-A150 VanDerWaalsContact CD2-CB 3.48Å; L124-V181 HydrophobicContact CD2-CG1 3.65Å; L124-L185 HydrophobicContact CD1-CD2 4.43Å; L124-L185 HydrophobicContact CD2-CD2 4.34Å |
| 125 | S | 91.2 | Very high | 88.6 | Confident | 34 Ų | 34 | 29.3 Ų | 29.3 | 24% | 0.238 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 148.7 | 171.6 | 56.9 | 0 | 0 | 0 | 0 | 110 | V94 E123 A148 S149 | V94-S125 CarbonylContact O-C 3.55Å; V94-S125 WeakPolarHBondContact O-CA 3.46Å; V94-S125 WeakPolarHBondContact O-CB 3.42Å; E123-S125 PolarHBondContact O-N 2.9Å; S125-A148 CarbonylContact O-C 3.55Å; S125-A148 WeakPolarHBondContact O-CA 3.25Å; S125-S149 PolarHBondContact N-O 2.88Å; S125-S149 PolarHBondContact O-N 2.96Å; S125-S149 WeakPolarHBondContact OG-CB 3.44Å; S125-S149 PolarHBondContact OG-O 2.81Å |
| 126 | F | 91.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 150.8 | 171 | 69 | -98.6 | 0 | 0 | 0 | 111.8 | F43 S93 V94 M97 A128 E147 A148 L185 I189 | F43-F126 HydrophobicContact CE1-CZ 4.08Å; F43-F126 HydrophobicContact CZ-CE1 4.36Å; F43-F126 AromaticContact CZ-CZ 3.71Å; F43-F126 HydrophobicContact CZ-CZ 3.71Å; S93-F126 CarbonylContact C-O 3.48Å; S93-F126 WeakPolarHBondContact CA-O 3.23Å; V94-F126 HydrophobicContact CB-CD1 3.75Å; V94-F126 HydrophobicContact CB-CD2 4.47Å; V94-F126 HydrophobicContact CB-CE1 3.4Å; V94-F126 HydrophobicContact CB-CE2 4.16Å; V94-F126 HydrophobicContact CB-CG 4.29Å; V94-F126 HydrophobicContact CB-CZ 3.63Å; V94-F126 HydrophobicContact CG1-CD1 4.37Å; V94-F126 HydrophobicContact CG1-CE1 3.91Å; V94-F126 HydrophobicContact CG1-CZ 4.45Å; V94-F126 HydrophobicContact CG2-CD1 4.28Å; V94-F126 HydrophobicContact CG2-CD2 4.47Å; V94-F126 HydrophobicContact CG2-CE1 3.5Å; V94-F126 HydrophobicContact CG2-CE2 3.73Å; V94-F126 HydrophobicContact CG2-CZ 3.18Å; V94-F126 PolarHBondContact N-O 3.32Å; V94-F126 PolarHBondContact O-N 2.93Å; M97-F126 HydrophobicContact CE-CD1 3.96Å; M97-F126 HydrophobicContact CE-CE1 3.83Å; M97-F126 HydrophobicContact SD-CE1 4.27Å; F126-A128 HydrophobicContact CD2-CB 4.45Å; F126-E147 CarbonylContact C-O 3.54Å; F126-E147 WeakPolarHBondContact CA-O 3.22Å; F126-E147 WeakPolarHBondContact CB-O 3.15Å; F126-A148 HydrophobicContact CB-CB 4.26Å; F126-L185 HydrophobicContact CB-CD2 4.39Å; F126-L185 HydrophobicContact CD1-CD2 4.26Å; F126-I189 HydrophobicContact CB-CD1 3.64Å; F126-I189 HydrophobicContact CD1-CD1 3.56Å; F126-I189 HydrophobicContact CD1-CG1 4.36Å; F126-I189 HydrophobicContact CD2-CD1 3.41Å; F126-I189 VanDerWaalsContact CD2-CD1 3.41Å; F126-I189 HydrophobicContact CD2-CG1 4.27Å; F126-I189 HydrophobicContact CE1-CD1 3.94Å; F126-I189 HydrophobicContact CE1-CG1 4.26Å; F126-I189 HydrophobicContact CE2-CD1 3.82Å; F126-I189 HydrophobicContact CE2-CG1 4.19Å; F126-I189 HydrophobicContact CE2-CG2 4.26Å; F126-I189 HydrophobicContact CG-CD1 3.25Å; F126-I189 HydrophobicContact CG-CG1 4.35Å; F126-I189 HydrophobicContact CZ-CD1 4.06Å; F126-I189 HydrophobicContact CZ-CG1 4.17Å |
| 127 | N | 93.1 | Very high | 88.9 | Confident | 64 Ų | 64 | 33.6 Ų | 33.6 | 34% | 0.342 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.5 | 172.1 | -67.5 | -48.1 | 0 | 0 | 0 | 108.2 | F92 S93 C146 E147 | F92-N127 CarbonylContact O-C 3.56Å; F92-N127 WeakPolarHBondContact O-CA 3.39Å; S93-N127 WeakPolarHBondContact CB-OD1 3.38Å; S93-N127 PolarHBondContact OG-OD1 3.1Å; N127-C146 CarbonylContact O-C 3.54Å; N127-C146 WeakPolarHBondContact O-CA 3.48Å; N127-E147 PolarHBondContact N-O 2.88Å; N127-E147 PolarHBondContact O-N 3.05Å |
| 128 | A | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.8 | 177 | 0 | 0 | 0 | 0 | 0 | 109.9 | K91 F92 F126 S145 I189 L193 | K91-A128 WeakPolarHBondContact CA-O 3.13Å; F92-A128 PolarHBondContact N-O 3.35Å; F92-A128 PolarHBondContact O-N 2.99Å; F126-A128 HydrophobicContact CD2-CB 4.45Å; A128-S145 WeakPolarHBondContact CA-O 3.38Å; A128-I189 HydrophobicContact CB-CG2 4.17Å; A128-L193 HydrophobicContact CB-CD1 3.77Å |
| 129 | V | 92.5 | Very high | 89.1 | Confident | 11 Ų | 11 | 32.9 Ų | 32.9 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.4 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | E85 V88 K91 L144 S145 | E85-V129 WeakPolarHBondContact OE2-CG1 3.45Å; V88-V129 HydrophobicContact CG1-CG1 3.75Å; K91-V129 HydrophobicContact CB-CG2 4.46Å; K91-V129 HydrophobicContact CD-CG2 4.4Å; K91-V129 HydrophobicContact CG-CG2 4.16Å; V129-L144 HydrophobicContact CB-CB 4.4Å; V129-L144 HydrophobicContact CG1-CB 4.26Å; V129-L144 HydrophobicContact CG1-CD2 4.12Å; V129-L144 PolarHBondContact O-N 3.23Å; V129-S145 PolarHBondContact N-O 3.04Å; V129-S145 PolarHBondContact O-N 3.23Å |
| 130 | I | 90.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 111 | 175.7 | -56.2 | -174.2 | 0 | 0 | 0 | 107.8 | G89 F90 F92 P141 K142 L193 F197 | G89-I130 CarbonylContact C-O 3.59Å; G89-I130 VanDerWaalsContact CA-O 3.29Å; G89-I130 WeakPolarHBondContact CA-O 3.47Å; F90-I130 PolarHBondContact N-O 2.99Å; F90-I130 PolarHBondContact O-N 2.84Å; F92-I130 HydrophobicContact CD2-CD1 4.06Å; F92-I130 HydrophobicContact CD2-CG1 4.14Å; F92-I130 HydrophobicContact CE2-CB 4.34Å; F92-I130 HydrophobicContact CE2-CD1 3.53Å; F92-I130 HydrophobicContact CE2-CG1 3.84Å; F92-I130 HydrophobicContact CZ-CD1 4.42Å; I130-P141 HydrophobicContact CG2-CB 3.71Å; I130-K142 CarbonylContact C-O 3.56Å; I130-K142 WeakPolarHBondContact CA-O 3.44Å; I130-L193 HydrophobicContact CD1-CB 4.33Å; I130-L193 HydrophobicContact CD1-CD1 4.15Å; I130-F197 HydrophobicContact CD1-CD2 4Å; I130-F197 HydrophobicContact CG2-CD2 4.33Å; I130-F197 HydrophobicContact CG2-CE2 4.12Å; I130-F197 HydrophobicContact CG2-CZ 4.47Å |
| 131 | K | 92.2 | Very high | 89.4 | Confident | 89 Ų | 89 | 32.5 Ų | 32.5 | 39% | 0.387 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 136.4 | 170.1 | -171 | -179.1 | -175 | 170.6 | 0 | 109.9 | V88 T133 P141 K142 L144 | V88-K131 HydrophobicContact CG1-CB 4.14Å; V88-K131 HydrophobicContact CG1-CG 4.22Å; V88-K131 VanDerWaalsContact O-CA 3.28Å; V88-K131 WeakPolarHBondContact O-CA 3.09Å; V88-K131 WeakPolarHBondContact O-CG 3.39Å; K131-T133 HydrophobicContact CD-CG2 3.88Å; K131-T133 HydrophobicContact CG-CG2 3.83Å; K131-P141 CarbonylContact O-C 3.57Å; K131-P141 WeakPolarHBondContact O-CA 3.27Å; K131-K142 PolarHBondContact N-O 3.21Å; K131-K142 PolarHBondContact O-N 3.18Å; K131-L144 HydrophobicContact CB-CB 4.05Å; K131-L144 HydrophobicContact CD-CD1 4.46Å |
| 132 | V | 90.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.2 | 177 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | V88 F90 L139 F197 P224 I226 F231 | V88-V132 PolarHBondContact O-N 3.26Å; F90-V132 HydrophobicContact CD2-CG2 3.79Å; F90-V132 HydrophobicContact CE2-CG2 3.84Å; V132-L139 HydrophobicContact CG1-CD1 3.49Å; V132-L139 VanDerWaalsContact CG1-CD1 3.49Å; V132-L139 HydrophobicContact CG1-CD2 4.23Å; V132-L139 HydrophobicContact CG1-CG 3.64Å; V132-F197 HydrophobicContact CG2-CE1 4.49Å; V132-F197 HydrophobicContact CG2-CE2 4.41Å; V132-F197 HydrophobicContact CG2-CZ 3.68Å; V132-P224 HydrophobicContact CB-CG 4.45Å; V132-P224 HydrophobicContact CG1-CG 4.25Å; V132-P224 VanDerWaalsContact O-CG 3.3Å; V132-P224 WeakPolarHBondContact O-CG 3.4Å; V132-I226 HydrophobicContact CB-CD1 4.42Å; V132-F231 HydrophobicContact CB-CE2 4.4Å; V132-F231 HydrophobicContact CG1-CE2 4.36Å; V132-F231 HydrophobicContact CG1-CZ 4.14Å |
| 133 | T | 90.8 | Very high | 89.6 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 17% | 0.166 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 163.2 | -176 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | K131 T140 | K131-T133 HydrophobicContact CD-CG2 3.88Å; K131-T133 HydrophobicContact CG-CG2 3.83Å; T133-T140 PolarHBondContact N-O 3.39Å; T133-T140 VanDerWaalsContact N-O 3.08Å; T133-T140 PolarHBondContact O-N 3.16Å |
| 134 | N | 90.2 | Very high | 89.7 | Confident | 38 Ų | 38 | 41 Ų | 41 | 20% | 0.203 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 121.4 | 165.3 | -178.7 | -2.1 | 0 | 0 | 0 | 109.6 | G137 V138 L220 G222 N223 | N134-G137 WeakPolarHBondContact OD1-CA 3.4Å; N134-G137 PolarHBondContact OD1-N 2.63Å; N134-V138 PolarHBondContact OD1-N 3.23Å; N134-L220 HydrophobicContact CB-CB 4.34Å; N134-L220 HydrophobicContact CB-CD1 4Å; N134-L220 VanDerWaalsContact ND2-CB 3.34Å; N134-L220 WeakPolarHBondContact ND2-CB 3.31Å; N134-L220 PolarHBondContact ND2-O 3.34Å; N134-G222 WeakPolarHBondContact CB-O 3.33Å; N134-G222 PolarHBondContact ND2-O 2.99Å; N134-G222 VanDerWaalsContact ND2-O 3.14Å; N134-N223 WeakPolarHBondContact CB-OD1 3.29Å; N134-N223 PolarHBondContact N-OD1 3.22Å |
| 135 | V | 89.6 | Confident | 90 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 112 | 168.2 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | G137 V138 T140 | V135-G137 PolarHBondContact O-N 3.35Å; V135-G137 VanDerWaalsContact O-N 3.17Å; V135-V138 PolarHBondContact N-O 2.86Å; V135-V138 PolarHBondContact O-N 2.83Å; V135-T140 HydrophobicContact CG2-CG2 4.06Å |
| 136 | N | 88.5 | Confident | 90 | Very high | 137 Ų | 137 | 42.8 Ų | 42.8 | 73% | 0.733 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.6 | 177.2 | -62.2 | -22.4 | 0 | 0 | 0 | 114.7 | K206 | N136-K206 VanDerWaalsContact O-CD 3.22Å; N136-K206 WeakPolarHBondContact O-CD 3.39Å; N136-K206 PolarHBondContact O-NZ 3.26Å |
| 137 | G | 88.1 | Confident | 90 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 9.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N134 V135 S219 L220 | N134-G137 WeakPolarHBondContact OD1-CA 3.4Å; N134-G137 PolarHBondContact OD1-N 2.63Å; V135-G137 PolarHBondContact O-N 3.35Å; V135-G137 VanDerWaalsContact O-N 3.17Å; G137-S219 WeakPolarHBondContact O-CA 3.47Å; G137-L220 PolarHBondContact O-N 2.91Å |
| 138 | V | 87.1 | Confident | 89.9 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 27% | 0.267 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.1 | -175.8 | -174.7 | 0 | 0 | 0 | 0 | 111 | N134 V135 T140 K206 | N134-V138 PolarHBondContact OD1-N 3.23Å; V135-V138 PolarHBondContact N-O 2.86Å; V135-V138 PolarHBondContact O-N 2.83Å; V138-T140 PolarHBondContact O-N 2.85Å; V138-T140 VanDerWaalsContact O-N 3.13Å; V138-T140 PolarHBondContact O-OG1 3.29Å; V138-K206 HydrophobicContact CG2-CD 3.92Å; V138-K206 HydrophobicContact CG2-CG 3.8Å |
| 139 | L | 87 | Confident | 89.8 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 109.3 | 176.4 | -165.3 | 69.7 | 0 | 0 | 0 | 109.3 | V132 F201 L220 P224 F231 T233 | V132-L139 HydrophobicContact CG1-CD1 3.49Å; V132-L139 VanDerWaalsContact CG1-CD1 3.49Å; V132-L139 HydrophobicContact CG1-CD2 4.23Å; V132-L139 HydrophobicContact CG1-CG 3.64Å; L139-F201 HydrophobicContact CD2-CB 4.46Å; L139-F201 HydrophobicContact CD2-CD1 4.11Å; L139-L220 HydrophobicContact CB-CD1 3.85Å; L139-L220 HydrophobicContact CD1-CD1 3.88Å; L139-L220 VanDerWaalsContact N-CD1 3.32Å; L139-P224 HydrophobicContact CD1-CB 4.18Å; L139-P224 HydrophobicContact CD1-CG 3.96Å; L139-F231 HydrophobicContact CD1-CZ 4.19Å; L139-F231 HydrophobicContact CD2-CE1 4.3Å; L139-F231 HydrophobicContact CD2-CZ 4.13Å; L139-T233 HydrophobicContact CD1-CG2 3.93Å; L139-T233 HydrophobicContact CD2-CG2 4.39Å |
| 140 | T | 86.5 | Confident | 89.5 | Confident | 33 Ų | 33 | 48.4 Ų | 48.4 | 20% | 0.202 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 110.7 | -169.1 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | T133 V135 V138 K142 | T133-T140 PolarHBondContact N-O 3.39Å; T133-T140 VanDerWaalsContact N-O 3.08Å; T133-T140 PolarHBondContact O-N 3.16Å; V135-T140 HydrophobicContact CG2-CG2 4.06Å; V138-T140 PolarHBondContact O-N 2.85Å; V138-T140 VanDerWaalsContact O-N 3.13Å; V138-T140 PolarHBondContact O-OG1 3.29Å; T140-K142 HydrophobicContact CG2-CG 4.38Å |
| 141 | P | 87.1 | Confident | 89.2 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 138.4 | 168.7 | 30.9 | -37 | 0 | 0 | 0 | 111.8 | I130 K131 F197 | I130-P141 HydrophobicContact CG2-CB 3.71Å; K131-P141 CarbonylContact O-C 3.57Å; K131-P141 WeakPolarHBondContact O-CA 3.27Å; P141-F197 HydrophobicContact CB-CD1 3.4Å; P141-F197 HydrophobicContact CB-CE1 3.29Å; P141-F197 HydrophobicContact CB-CE2 4.48Å; P141-F197 HydrophobicContact CB-CG 4.07Å; P141-F197 HydrophobicContact CB-CZ 3.87Å; P141-F197 HydrophobicContact CG-CD1 3.33Å; P141-F197 HydrophobicContact CG-CE1 3.52Å; P141-F197 HydrophobicContact CG-CG 4.25Å |
| 142 | K | 88.5 | Confident | 88.8 | Confident | 118 Ų | 118 | 54 Ų | 54 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 141.5 | 169.2 | -67 | -172.7 | 178.8 | -178.6 | 0 | 109.3 | I130 K131 T140 L144 | I130-K142 CarbonylContact C-O 3.56Å; I130-K142 WeakPolarHBondContact CA-O 3.44Å; K131-K142 PolarHBondContact N-O 3.21Å; K131-K142 PolarHBondContact O-N 3.18Å; T140-K142 HydrophobicContact CG2-CG 4.38Å; K142-L144 PolarHBondContact O-N 2.88Å |
| 143 | M | 88.4 | Confident | 88 | Confident | 66 Ų | 66 | 57 Ų | 57 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 114.3 | 174.4 | -178.3 | 173 | 58.8 | 0 | 0 | 106.5 | C146 A190 F194 | M143-C146 HydrophobicContact CG-CB 4.43Å; M143-C146 HydrophobicContact SD-CB 3.78Å; M143-A190 HydrophobicContact CE-CB 3.41Å; M143-A190 VanDerWaalsContact CE-CB 3.41Å; M143-A190 HydrophobicContact SD-CB 3.78Å; M143-F194 HydrophobicContact CB-CE1 4.42Å; M143-F194 HydrophobicContact CB-CE2 4.01Å; M143-F194 HydrophobicContact CB-CZ 3.5Å; M143-F194 VanDerWaalsContact N-CZ 3.28Å |
| 144 | L | 92.1 | Very high | 87.5 | Confident | 99 Ų | 99 | 56.6 Ų | 56.6 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -47.4 | 179.6 | 179.7 | 62.4 | 0 | 0 | 0 | 110.3 | V88 V129 K131 K142 | V88-L144 HydrophobicContact CG1-CD2 3.68Å; V129-L144 HydrophobicContact CB-CB 4.4Å; V129-L144 HydrophobicContact CG1-CB 4.26Å; V129-L144 HydrophobicContact CG1-CD2 4.12Å; V129-L144 PolarHBondContact O-N 3.23Å; K131-L144 HydrophobicContact CB-CB 4.05Å; K131-L144 HydrophobicContact CD-CD1 4.46Å; K142-L144 PolarHBondContact O-N 2.88Å |
| 145 | S | 93.1 | Very high | 87 | Confident | 42 Ų | 42 | 58.2 Ų | 58.2 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 152.2 | 176.3 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | A128 V129 | A128-S145 WeakPolarHBondContact CA-O 3.38Å; V129-S145 PolarHBondContact N-O 3.04Å; V129-S145 PolarHBondContact O-N 3.23Å |
| 146 | C | 91.4 | Very high | 86.4 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 122 | 165.1 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | N127 M143 C186 | N127-C146 CarbonylContact O-C 3.54Å; N127-C146 WeakPolarHBondContact O-CA 3.48Å; M143-C146 HydrophobicContact CG-CB 4.43Å; M143-C146 HydrophobicContact SD-CB 3.78Å; C146-C186 HydrophobicContact CB-CB 3.77Å; C146-C186 WeakPolarHBondContact CB-SG 3.36Å; C146-C186 PolarHBondContact O-SG 3.49Å; C146-C186 WeakPolarHBondContact SG-CA 3.47Å; C146-C186 WeakPolarHBondContact SG-CB 3.42Å; C146-C186 CovalentContact SG-SG 2.05Å; C146-C186 PolarHBondContact SG-SG 2.76Å |
| 147 | E | 92.2 | Very high | 86.1 | Confident | 128 Ų | 128 | 57.6 Ų | 57.6 | 60% | 0.598 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.2 | 174.7 | -68.6 | 170.2 | -169.1 | 0 | 0 | 107.1 | F126 N127 | F126-E147 CarbonylContact C-O 3.54Å; F126-E147 WeakPolarHBondContact CA-O 3.22Å; F126-E147 WeakPolarHBondContact CB-O 3.15Å; N127-E147 PolarHBondContact N-O 2.88Å; N127-E147 PolarHBondContact O-N 3.05Å |
| 148 | A | 90 | Very high | 85.8 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S125 F126 E182 L185 | S125-A148 CarbonylContact O-C 3.55Å; S125-A148 WeakPolarHBondContact O-CA 3.25Å; F126-A148 HydrophobicContact CB-CB 4.26Å; A148-E182 HydrophobicContact CB-CB 4.02Å; A148-E182 HydrophobicContact CB-CG 4.33Å; A148-E182 WeakPolarHBondContact CB-O 3.27Å; A148-E182 VanDerWaalsContact O-CG 3.3Å; A148-E182 WeakPolarHBondContact O-CG 3.33Å; A148-L185 HydrophobicContact CB-CB 4.27Å; A148-L185 HydrophobicContact CB-CD2 3.93Å; A148-L185 HydrophobicContact CB-CG 4.34Å |
| 149 | S | 90.2 | Very high | 85.5 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.7 | 177.3 | 168.9 | 0 | 0 | 0 | 0 | 109.4 | S125 E182 | S125-S149 PolarHBondContact N-O 2.88Å; S125-S149 PolarHBondContact O-N 2.96Å; S125-S149 WeakPolarHBondContact OG-CB 3.44Å; S125-S149 PolarHBondContact OG-O 2.81Å; S149-E182 WeakPolarHBondContact CA-OE1 3.4Å |
| 150 | A | 86 | Confident | 84.9 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | trans | -119.3 | 84.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L124 Y152 Q178 V181 E182 | L124-A150 HydrophobicContact CD2-CB 3.48Å; L124-A150 VanDerWaalsContact CD2-CB 3.48Å; A150-Y152 PolarHBondContact O-N 3.04Å; A150-Q178 HydrophobicContact CB-CG 4.24Å; A150-Q178 VanDerWaalsContact O-CG 3.3Å; A150-Q178 WeakPolarHBondContact O-CG 3.16Å; A150-Q178 PolarHBondContact O-NE2 2.9Å; A150-Q178 VanDerWaalsContact O-NE2 3.1Å; A150-V181 HydrophobicContact CB-CB 4.42Å; A150-V181 HydrophobicContact CB-CG1 3.83Å; A150-E182 HydrophobicContact CB-CG 4.22Å; A150-E182 PolarHBondContact N-OE1 2.62Å; A150-E182 VanDerWaalsContact N-OE1 3.08Å | ||
| 151 | P | 83.7 | Confident | 84.1 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | trans | -68.1 | -19.1 | -167.4 | 26 | -33.4 | 0 | 0 | 0 | 114.2 | E123 | E123-P151 HydrophobicContact CB-CG 4.08Å; E123-P151 VanDerWaalsContact O-CD 3.27Å; E123-P151 WeakPolarHBondContact O-CD 3.16Å | ||
| 152 | Y | 83.3 | Confident | 82.9 | Confident | 140 Ų | 140 | 71.1 Ų | 71.1 | 55% | 0.549 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -118.1 | 149.9 | 179 | -56.1 | -78.7 | 0 | 0 | 0 | 110.8 | E123 A150 | E123-Y152 HydrophobicContact CB-CD2 3.81Å; E123-Y152 HydrophobicContact CB-CE2 3.78Å; E123-Y152 HydrophobicContact CG-CD2 4.1Å; E123-Y152 HydrophobicContact CG-CE2 3.78Å; A150-Y152 PolarHBondContact O-N 3.04Å |
| 153 | S | 74.8 | Confident | 81.6 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 136.7 | 175.6 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 154 | A | 78.8 | Confident | 80.2 | Confident | 17 Ų | 17 | 73.4 Ų | 73.4 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 135.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N120 V121 | N120-A154 CarbonylContact O-C 3.53Å; N120-A154 VanDerWaalsContact O-CA 3.31Å; N120-A154 WeakPolarHBondContact O-CA 3.39Å; V121-A154 HydrophobicContact CG2-CB 3.93Å |
| 155 | T | 80.2 | Confident | 78.4 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.8 | 172.1 | 58.9 | 0 | 0 | 0 | 0 | 109.2 | A119 N120 | A119-T155 CarbonylContact C-O 3.56Å; A119-T155 VanDerWaalsContact CA-O 3.29Å; A119-T155 WeakPolarHBondContact CA-O 3.44Å; N120-T155 WeakPolarHBondContact CB-OG1 3.32Å; N120-T155 PolarHBondContact N-O 2.81Å; N120-T155 PolarHBondContact O-N 3.21Å |
| 156 | L | 77.9 | Confident | 76.6 | Confident | 59 Ų | 59 | 69 Ų | 69 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.1 | -176.8 | -62.7 | 175.1 | 0 | 0 | 0 | 109.9 | Q118 A119 F158 L169 | Q118-L156 WeakPolarHBondContact O-CA 3.45Å; A119-L156 HydrophobicContact CB-CD2 3.48Å; A119-L156 VanDerWaalsContact CB-CD2 3.48Å; L156-F158 HydrophobicContact CB-CE2 3.97Å; L156-F158 HydrophobicContact CB-CZ 3.95Å; L156-F158 HydrophobicContact CD1-CZ 4.25Å; L156-L169 HydrophobicContact CD1-CD2 3.98Å |
| 157 | Q | 82.4 | Confident | 75 | Confident | 116 Ų | 116 | 74.6 Ų | 74.6 | 54% | 0.542 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.8 | 172.6 | -64 | -178.5 | -1.1 | 0 | 0 | 109.2 | M117 Q118 | M117-Q157 CarbonylContact C-O 3.5Å; M117-Q157 WeakPolarHBondContact CA-O 3.2Å; Q118-Q157 HydrophobicContact CB-CB 4.43Å; Q118-Q157 PolarHBondContact N-O 2.78Å; Q118-Q157 PolarHBondContact O-N 2.87Å |
| 158 | F | 81.3 | Confident | 73.1 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 20% | 0.197 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.5 | -177.5 | -60.2 | -73.3 | 0 | 0 | 0 | 110 | L105 V115 A116 M117 L156 G160 I162 L169 | L105-F158 HydrophobicContact CD2-CE1 3.61Å; L105-F158 HydrophobicContact CD2-CZ 4.1Å; V115-F158 HydrophobicContact CG1-CB 3.97Å; V115-F158 HydrophobicContact CG1-CD1 4.3Å; A116-F158 WeakPolarHBondContact O-CA 3.4Å; M117-F158 HydrophobicContact CB-CD1 3.72Å; M117-F158 HydrophobicContact CB-CE1 3.66Å; L156-F158 HydrophobicContact CB-CE2 3.97Å; L156-F158 HydrophobicContact CB-CZ 3.95Å; L156-F158 HydrophobicContact CD1-CZ 4.25Å; F158-G160 PolarHBondContact O-N 3.45Å; F158-I162 HydrophobicContact CB-CG1 4.13Å; F158-I162 HydrophobicContact CD2-CD1 3.69Å; F158-I162 HydrophobicContact CD2-CG1 3.93Å; F158-I162 HydrophobicContact CE2-CD1 4.3Å; F158-I162 HydrophobicContact CG-CD1 4.43Å; F158-I162 HydrophobicContact CG-CG1 4.18Å; F158-L169 HydrophobicContact CZ-CD2 4.49Å |
| 159 | N | 81.4 | Confident | 71.3 | Confident | 129 Ų | 129 | 71.6 Ų | 71.6 | 69% | 0.69 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 88.4 | 174.5 | -69.2 | -9.2 | 0 | 0 | 0 | 108.7 | A116 | A116-N159 HydrophobicContact CB-CB 4.24Å; A116-N159 PolarHBondContact O-N 3.42Å |
| 160 | G | 73.6 | Confident | 69.5 | Low | 54 Ų | 54 | 78.4 Ų | 78.4 | 56% | 0.557 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 135.7 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F158 I162 | F158-G160 PolarHBondContact O-N 3.45Å; G160-I162 PolarHBondContact O-N 3.44Å |
| 161 | A | 68.7 | Low | 67.8 | Low | 91 Ų | 91 | 84.1 Ų | 84.1 | 75% | 0.752 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 123.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P163 | A161-P163 VanDerWaalsContact O-CD 3.26Å; A161-P163 WeakPolarHBondContact O-CD 3.47Å |
| 162 | I | 63.8 | Low | 66.5 | Low | 82 Ų | 82 | 82.1 Ų | 82.1 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 118.9 | 176.7 | -57.9 | 174.1 | 0 | 0 | 0 | 107.5 | F158 G160 L166 | F158-I162 HydrophobicContact CB-CG1 4.13Å; F158-I162 HydrophobicContact CD2-CD1 3.69Å; F158-I162 HydrophobicContact CD2-CG1 3.93Å; F158-I162 HydrophobicContact CE2-CD1 4.3Å; F158-I162 HydrophobicContact CG-CD1 4.43Å; F158-I162 HydrophobicContact CG-CG1 4.18Å; G160-I162 PolarHBondContact O-N 3.44Å; I162-L166 HydrophobicContact CG2-CB 3.68Å |
| 163 | P | 59.5 | Low | 65.4 | Low | 13 Ų | 13 | 80.5 Ų | 80.5 | 8% | 0.084 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 147.2 | -178.4 | -23.6 | 33.6 | 0 | 0 | 0 | 111.2 | P107 E112 V115 A161 A165 L166 H167 | P107-P163 HydrophobicContact CG-CB 4.46Å; E112-P163 HydrophobicContact CB-CB 4.12Å; E112-P163 VanDerWaalsContact CD-CB 3.43Å; E112-P163 HydrophobicContact CG-CB 4.29Å; E112-P163 WeakPolarHBondContact OE2-CB 3.46Å; V115-P163 HydrophobicContact CG2-CG 3.69Å; A161-P163 VanDerWaalsContact O-CD 3.26Å; A161-P163 WeakPolarHBondContact O-CD 3.47Å; P163-A165 PolarHBondContact O-N 3.42Å; P163-L166 HydrophobicContact CB-CD1 4.01Å; P163-L166 HydrophobicContact CB-CG 4.45Å; P163-L166 VanDerWaalsContact CD-CD1 3.47Å; P163-L166 HydrophobicContact CG-CD1 3.65Å; P163-L166 CarbonylContact O-C 3.53Å; P163-L166 VanDerWaalsContact O-CA 3.3Å; P163-L166 WeakPolarHBondContact O-CA 3.01Å; P163-L166 VanDerWaalsContact O-CB 3.26Å; P163-L166 WeakPolarHBondContact O-CB 3.47Å; P163-L166 PolarHBondContact O-N 2.84Å; P163-H167 PolarHBondContact O-N 3.02Å |
| 164 | R | 59.8 | Low | 65 | Low | 219 Ų | 219 | 80.5 Ų | 80.5 | 83% | 0.826 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.9 | -33.4 | -172 | -78.5 | -176.6 | -177 | 162.4 | 1 | 111.7 | E112 L166 H167 | E112-R164 PolarHBondContact OE1-N 2.88Å; R164-L166 PolarHBondContact O-N 2.68Å; R164-H167 WeakPolarHBondContact O-CB 3.29Å; R164-H167 PolarHBondContact O-N 3.26Å |
| 165 | A | 54.6 | Low | 64.4 | Low | 44 Ų | 44 | 84.6 Ų | 84.6 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.4 | -27.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P107 T110 P163 A168 | P107-A165 HydrophobicContact CB-CB 4.04Å; P107-A165 HydrophobicContact CG-CB 4.1Å; T110-A165 HydrophobicContact CG2-CB 3.96Å; P163-A165 PolarHBondContact O-N 3.42Å; A165-A168 WeakPolarHBondContact O-CB 3.35Å |
| 166 | L | 55.8 | Low | 63.7 | Low | 3 Ų | 3 | 84.5 Ų | 84.5 | 2% | 0.016 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -88.2 | -13.2 | 176.5 | -70.8 | 165.4 | 0 | 0 | 0 | 112.8 | I64 L105 P107 I162 P163 R164 A168 L169 | I64-L166 HydrophobicContact CD1-CD2 3.6Å; I64-L166 HydrophobicContact CG1-CD2 3.91Å; I64-L166 HydrophobicContact CG2-CD2 3.91Å; L105-L166 HydrophobicContact CD2-CD1 3.71Å; L105-L166 HydrophobicContact CD2-CD2 3.5Å; L105-L166 HydrophobicContact CD2-CG 4.24Å; L105-L166 HydrophobicContact CG-CD1 3.99Å; L105-L166 HydrophobicContact CG-CD2 3.96Å; P107-L166 HydrophobicContact CG-CD1 4.27Å; P107-L166 HydrophobicContact CG-CG 4.35Å; I162-L166 HydrophobicContact CG2-CB 3.68Å; P163-L166 HydrophobicContact CB-CD1 4.01Å; P163-L166 HydrophobicContact CB-CG 4.45Å; P163-L166 VanDerWaalsContact CD-CD1 3.47Å; P163-L166 HydrophobicContact CG-CD1 3.65Å; P163-L166 CarbonylContact O-C 3.53Å; P163-L166 VanDerWaalsContact O-CA 3.3Å; P163-L166 WeakPolarHBondContact O-CA 3.01Å; P163-L166 VanDerWaalsContact O-CB 3.26Å; P163-L166 WeakPolarHBondContact O-CB 3.47Å; P163-L166 PolarHBondContact O-N 2.84Å; R164-L166 PolarHBondContact O-N 2.68Å; L166-A168 PolarHBondContact O-N 3.16Å; L166-A168 VanDerWaalsContact O-N 3.17Å; L166-L169 HydrophobicContact CB-CD1 3.5Å; L166-L169 HydrophobicContact CD2-CD1 3.31Å; L166-L169 HydrophobicContact CD2-CG 4.41Å; L166-L169 HydrophobicContact CG-CD1 3.97Å; L166-L169 WeakPolarHBondContact O-CA 3.28Å; L166-L169 WeakPolarHBondContact O-CB 3.35Å; L166-L169 WeakPolarHBondContact O-CD1 3.45Å; L166-L169 PolarHBondContact O-N 2.88Å |
| 167 | H | 57.5 | Low | 63.2 | Low | 149 Ų | 149 | 83 Ų | 83 | 69% | 0.69 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.8 | -19.5 | 167.8 | -138.9 | -76.2 | 0 | 0 | 0 | 111.9 | P163 R164 L169 | P163-H167 PolarHBondContact O-N 3.02Å; R164-H167 WeakPolarHBondContact O-CB 3.29Å; R164-H167 PolarHBondContact O-N 3.26Å; H167-L169 PolarHBondContact O-N 3.33Å |
| 168 | A | 50.8 | Low | 62.7 | Low | 51 Ų | 51 | 80.4 Ų | 80.4 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -74.6 | 1.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A165 L166 K170 L171 | A165-A168 WeakPolarHBondContact O-CB 3.35Å; L166-A168 PolarHBondContact O-N 3.16Å; L166-A168 VanDerWaalsContact O-N 3.17Å; A168-K170 PolarHBondContact O-N 3.4Å; A168-L171 HydrophobicContact CB-CD1 4.23Å; A168-L171 VanDerWaalsContact O-CB 3.31Å; A168-L171 WeakPolarHBondContact O-CB 3.39Å; A168-L171 VanDerWaalsContact O-CG 3.27Å; A168-L171 WeakPolarHBondContact O-CG 3.46Å; A168-L171 PolarHBondContact O-N 3.43Å |
| 169 | L | 54.2 | Low | 62.2 | Low | 31 Ų | 31 | 80.6 Ų | 80.6 | 16% | 0.162 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -55.1 | -11.9 | 173.4 | -108.9 | 114.6 | 0 | 0 | 0 | 113.8 | L105 L156 F158 L166 H167 L171 L172 | L105-L169 HydrophobicContact CD2-CD1 4.21Å; L156-L169 HydrophobicContact CD1-CD2 3.98Å; F158-L169 HydrophobicContact CZ-CD2 4.49Å; L166-L169 HydrophobicContact CB-CD1 3.5Å; L166-L169 HydrophobicContact CD2-CD1 3.31Å; L166-L169 HydrophobicContact CD2-CG 4.41Å; L166-L169 HydrophobicContact CG-CD1 3.97Å; L166-L169 WeakPolarHBondContact O-CA 3.28Å; L166-L169 WeakPolarHBondContact O-CB 3.35Å; L166-L169 WeakPolarHBondContact O-CD1 3.45Å; L166-L169 PolarHBondContact O-N 2.88Å; H167-L169 PolarHBondContact O-N 3.33Å; L169-L171 PolarHBondContact O-N 2.68Å; L169-L172 HydrophobicContact CD2-CD1 3.49Å; L169-L172 VanDerWaalsContact CD2-CD1 3.49Å; L169-L172 HydrophobicContact CD2-CG 4.41Å; L169-L172 HydrophobicContact CG-CD1 3.94Å; L169-L172 WeakPolarHBondContact O-CB 3.33Å; L169-L172 PolarHBondContact O-N 3.12Å |
| 170 | K | 51.3 | Low | 61.7 | Low | 194 Ų | 194 | 76.8 Ų | 76.8 | 84% | 0.843 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -51.1 | -20.8 | 164 | -72.1 | -171.1 | 176.3 | -176.2 | 0 | 112.4 | A168 L172 | A168-K170 PolarHBondContact O-N 3.4Å; K170-L172 VanDerWaalsContact C-N 3.31Å |
| 171 | L | 50.7 | Low | 61.7 | Low | 120 Ų | 120 | 75.1 Ų | 75.1 | 63% | 0.628 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -68.7 | -22.1 | 171.7 | -70.3 | 167.3 | 0 | 0 | 0 | 114.3 | A168 L169 H173 | A168-L171 HydrophobicContact CB-CD1 4.23Å; A168-L171 VanDerWaalsContact O-CB 3.31Å; A168-L171 WeakPolarHBondContact O-CB 3.39Å; A168-L171 VanDerWaalsContact O-CG 3.27Å; A168-L171 WeakPolarHBondContact O-CG 3.46Å; A168-L171 PolarHBondContact O-N 3.43Å; L169-L171 PolarHBondContact O-N 2.68Å; L171-H173 PolarHBondContact O-N 2.8Å |
| 172 | L | 55.9 | Low | 62.2 | Low | 26 Ų | 26 | 73 Ų | 73 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -80.1 | 66.3 | 168.6 | -69.4 | 176.6 | 0 | 0 | 0 | 108.8 | I57 L169 K170 V176 L177 | I57-L172 HydrophobicContact CD1-CD2 4.23Å; I57-L172 HydrophobicContact CG2-CD2 3.66Å; L169-L172 HydrophobicContact CD2-CD1 3.49Å; L169-L172 VanDerWaalsContact CD2-CD1 3.49Å; L169-L172 HydrophobicContact CD2-CG 4.41Å; L169-L172 HydrophobicContact CG-CD1 3.94Å; L169-L172 WeakPolarHBondContact O-CB 3.33Å; L169-L172 PolarHBondContact O-N 3.12Å; K170-L172 VanDerWaalsContact C-N 3.31Å; L172-V176 HydrophobicContact CD2-CG1 4.39Å; L172-L177 HydrophobicContact CB-CD1 3.78Å; L172-L177 HydrophobicContact CB-CG 3.99Å; L172-L177 HydrophobicContact CD1-CD2 4.43Å; L172-L177 WeakPolarHBondContact O-CD1 3.3Å |
| 173 | H | 61.6 | Low | 62.8 | Low | 105 Ų | 105 | 78.8 Ų | 78.8 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | trans | -48.2 | 138.5 | 171.3 | -164.6 | -86.7 | 0 | 0 | 0 | 108.7 | L171 I175 V176 L177 | L171-H173 PolarHBondContact O-N 2.8Å; H173-I175 PolarHBondContact O-N 2.88Å; H173-V176 HydrophobicContact CB-CG2 4.15Å; H173-V176 WeakPolarHBondContact O-CA 3.4Å; H173-V176 WeakPolarHBondContact O-CB 3.41Å; H173-V176 PolarHBondContact O-N 3.5Å; H173-L177 PolarHBondContact O-N 3.23Å | ||
| 174 | P | 66.2 | Low | 63.5 | Low | 70 Ų | 70 | 79.7 Ų | 79.7 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -48.1 | -37.8 | -176.3 | -31.4 | 35.2 | 0 | 0 | 0 | 113.7 | V176 L177 Q178 | P174-V176 PolarHBondContact O-N 2.91Å; P174-L177 PolarHBondContact O-N 3.06Å; P174-Q178 WeakPolarHBondContact O-CB 3.48Å; P174-Q178 PolarHBondContact O-N 2.91Å |
| 175 | I | 66 | Low | 64.3 | Low | 103 Ų | 103 | 69.4 Ų | 69.4 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.9 | -60.4 | 174 | 0 | 0 | 0 | 112.7 | H173 S179 | H173-I175 PolarHBondContact O-N 2.88Å; I175-S179 WeakPolarHBondContact O-CB 3.16Å; I175-S179 PolarHBondContact O-N 2.89Å; I175-S179 PolarHBondContact O-OG 3.5Å |
| 176 | V | 65.7 | Low | 65.7 | Low | 70 Ų | 70 | 68.2 Ų | 68.2 | 42% | 0.424 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 110 | L172 H173 P174 F180 | L172-V176 HydrophobicContact CD2-CG1 4.39Å; H173-V176 HydrophobicContact CB-CG2 4.15Å; H173-V176 WeakPolarHBondContact O-CA 3.4Å; H173-V176 WeakPolarHBondContact O-CB 3.41Å; H173-V176 PolarHBondContact O-N 3.5Å; P174-V176 PolarHBondContact O-N 2.91Å; V176-F180 WeakPolarHBondContact O-CB 3.33Å; V176-F180 PolarHBondContact O-N 2.91Å |
| 177 | L | 67.1 | Low | 66.8 | Low | 27 Ų | 27 | 75.9 Ų | 75.9 | 14% | 0.141 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.1 | -84.3 | 156.9 | 0 | 0 | 0 | 111.5 | L172 H173 P174 F180 V181 | L172-L177 HydrophobicContact CB-CD1 3.78Å; L172-L177 HydrophobicContact CB-CG 3.99Å; L172-L177 HydrophobicContact CD1-CD2 4.43Å; L172-L177 WeakPolarHBondContact O-CD1 3.3Å; H173-L177 PolarHBondContact O-N 3.23Å; P174-L177 PolarHBondContact O-N 3.06Å; L177-F180 WeakPolarHBondContact O-CB 3.44Å; L177-F180 PolarHBondContact O-N 2.77Å; L177-V181 WeakPolarHBondContact O-CB 3.3Å; L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.27Å; L177-V181 PolarHBondContact O-N 2.82Å |
| 178 | Q | 71.6 | Confident | 67.6 | Low | 63 Ų | 63 | 70.2 Ų | 70.2 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -55.3 | 177.5 | 176.9 | 174.9 | 2.3 | 0 | 0 | 111.3 | A150 P174 F180 V181 E182 | A150-Q178 HydrophobicContact CB-CG 4.24Å; A150-Q178 VanDerWaalsContact O-CG 3.3Å; A150-Q178 WeakPolarHBondContact O-CG 3.16Å; A150-Q178 PolarHBondContact O-NE2 2.9Å; A150-Q178 VanDerWaalsContact O-NE2 3.1Å; P174-Q178 WeakPolarHBondContact O-CB 3.48Å; P174-Q178 PolarHBondContact O-N 2.91Å; Q178-F180 PolarHBondContact O-N 3.12Å; Q178-F180 VanDerWaalsContact O-N 3.17Å; Q178-V181 PolarHBondContact O-N 2.82Å; Q178-V181 VanDerWaalsContact O-N 3.09Å; Q178-E182 VanDerWaalsContact CG-OE1 3.31Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.38Å; Q178-E182 PolarHBondContact NE2-OE1 3.45Å; Q178-E182 VanDerWaalsContact NE2-OE1 3.11Å; Q178-E182 WeakPolarHBondContact O-CG 3.31Å; Q178-E182 PolarHBondContact O-N 2.81Å |
| 179 | S | 71.4 | Confident | 69 | Low | 48 Ų | 48 | 67.8 Ų | 67.8 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.8 | -36.3 | 178.6 | -58 | 0 | 0 | 0 | 0 | 111.8 | I175 R183 | I175-S179 WeakPolarHBondContact O-CB 3.16Å; I175-S179 PolarHBondContact O-N 2.89Å; I175-S179 PolarHBondContact O-OG 3.5Å; S179-R183 WeakPolarHBondContact O-CB 3.03Å; S179-R183 WeakPolarHBondContact O-CG 3.39Å; S179-R183 PolarHBondContact O-N 3.22Å; S179-R183 VanDerWaalsContact O-N 3.12Å |
| 180 | F | 69.4 | Low | 70.2 | Confident | 50 Ų | 50 | 67 Ų | 67 | 22% | 0.219 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.6 | -48 | 177 | 171.4 | -94.8 | 0 | 0 | 0 | 112.3 | L55 I57 V176 L177 Q178 E182 R183 T184 | L55-F180 HydrophobicContact CB-CZ 4.37Å; L55-F180 HydrophobicContact CD1-CE1 4.45Å; L55-F180 HydrophobicContact CD1-CZ 3.75Å; L55-F180 HydrophobicContact CD2-CE2 4.14Å; L55-F180 HydrophobicContact CD2-CZ 3.87Å; L55-F180 HydrophobicContact CG-CZ 4.19Å; I57-F180 HydrophobicContact CG1-CE2 4.46Å; V176-F180 WeakPolarHBondContact O-CB 3.33Å; V176-F180 PolarHBondContact O-N 2.91Å; L177-F180 WeakPolarHBondContact O-CB 3.44Å; L177-F180 PolarHBondContact O-N 2.77Å; Q178-F180 PolarHBondContact O-N 3.12Å; Q178-F180 VanDerWaalsContact O-N 3.17Å; F180-E182 VanDerWaalsContact C-N 3.3Å; F180-E182 PolarHBondContact O-N 2.78Å; F180-R183 PolarHBondContact O-N 3.2Å; F180-T184 WeakPolarHBondContact CE2-OG1 3.25Å; F180-T184 HydrophobicContact CZ-CG2 4.39Å; F180-T184 WeakPolarHBondContact CZ-OG1 3.32Å; F180-T184 WeakPolarHBondContact O-CB 3.18Å; F180-T184 PolarHBondContact O-N 2.93Å; F180-T184 PolarHBondContact O-OG1 2.77Å |
| 181 | V | 74 | Confident | 71.4 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.9 | -47 | 176.2 | 165.2 | 0 | 0 | 0 | 0 | 109.7 | V121 L124 A150 L177 Q178 T184 L185 | V121-V181 HydrophobicContact CG1-CG1 3.98Å; L124-V181 HydrophobicContact CD2-CG1 3.65Å; A150-V181 HydrophobicContact CB-CB 4.42Å; A150-V181 HydrophobicContact CB-CG1 3.83Å; L177-V181 WeakPolarHBondContact O-CB 3.3Å; L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.27Å; L177-V181 PolarHBondContact O-N 2.82Å; Q178-V181 PolarHBondContact O-N 2.82Å; Q178-V181 VanDerWaalsContact O-N 3.09Å; V181-T184 PolarHBondContact O-N 2.94Å; V181-L185 WeakPolarHBondContact O-CB 3.48Å; V181-L185 PolarHBondContact O-N 3.07Å |
| 182 | E | 80.5 | Confident | 72.5 | Confident | 46 Ų | 46 | 56 Ų | 56 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -50.1 | -179.3 | -68 | 170.7 | 178.4 | 0 | 0 | 111.9 | A148 S149 A150 Q178 F180 T184 L185 C186 | A148-E182 HydrophobicContact CB-CB 4.02Å; A148-E182 HydrophobicContact CB-CG 4.33Å; A148-E182 WeakPolarHBondContact CB-O 3.27Å; A148-E182 VanDerWaalsContact O-CG 3.3Å; A148-E182 WeakPolarHBondContact O-CG 3.33Å; S149-E182 WeakPolarHBondContact CA-OE1 3.4Å; A150-E182 HydrophobicContact CB-CG 4.22Å; A150-E182 PolarHBondContact N-OE1 2.62Å; A150-E182 VanDerWaalsContact N-OE1 3.08Å; Q178-E182 VanDerWaalsContact CG-OE1 3.31Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.38Å; Q178-E182 PolarHBondContact NE2-OE1 3.45Å; Q178-E182 VanDerWaalsContact NE2-OE1 3.11Å; Q178-E182 WeakPolarHBondContact O-CG 3.31Å; Q178-E182 PolarHBondContact O-N 2.81Å; F180-E182 VanDerWaalsContact C-N 3.3Å; F180-E182 PolarHBondContact O-N 2.78Å; E182-T184 PolarHBondContact O-N 2.89Å; E182-L185 PolarHBondContact O-N 3.2Å; E182-C186 PolarHBondContact O-N 2.8Å; E182-C186 VanDerWaalsContact O-N 3.1Å |
| 183 | R | 76.6 | Confident | 73.4 | Confident | 203 Ų | 203 | 54.9 Ų | 54.9 | 77% | 0.766 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 177.7 | -73.4 | 179.9 | -174.8 | -166.4 | 2.6 | 112.7 | S179 F180 C186 K187 | S179-R183 WeakPolarHBondContact O-CB 3.03Å; S179-R183 WeakPolarHBondContact O-CG 3.39Å; S179-R183 PolarHBondContact O-N 3.22Å; S179-R183 VanDerWaalsContact O-N 3.12Å; F180-R183 PolarHBondContact O-N 3.2Å; R183-C186 PolarHBondContact O-N 3.37Å; R183-K187 PolarHBondContact O-N 3.31Å; R183-K187 VanDerWaalsContact O-N 3.16Å |
| 184 | T | 72.2 | Confident | 74.2 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 20% | 0.202 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.9 | -39.8 | -178.2 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | L55 F180 V181 E182 K187 H188 | L55-T184 HydrophobicContact CD2-CG2 4.45Å; F180-T184 WeakPolarHBondContact CE2-OG1 3.25Å; F180-T184 HydrophobicContact CZ-CG2 4.39Å; F180-T184 WeakPolarHBondContact CZ-OG1 3.32Å; F180-T184 WeakPolarHBondContact O-CB 3.18Å; F180-T184 PolarHBondContact O-N 2.93Å; F180-T184 PolarHBondContact O-OG1 2.77Å; V181-T184 PolarHBondContact O-N 2.94Å; E182-T184 PolarHBondContact O-N 2.89Å; T184-K187 PolarHBondContact O-N 3.28Å; T184-H188 WeakPolarHBondContact O-CB 3.37Å; T184-H188 PolarHBondContact O-N 3.23Å |
| 185 | L | 77 | Confident | 74.8 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 175.7 | -177 | 59.7 | 0 | 0 | 0 | 110.4 | M97 L124 F126 A148 V181 E182 K187 H188 I189 | M97-L185 HydrophobicContact CE-CD1 4.44Å; L124-L185 HydrophobicContact CD1-CD2 4.43Å; L124-L185 HydrophobicContact CD2-CD2 4.34Å; F126-L185 HydrophobicContact CB-CD2 4.39Å; F126-L185 HydrophobicContact CD1-CD2 4.26Å; A148-L185 HydrophobicContact CB-CB 4.27Å; A148-L185 HydrophobicContact CB-CD2 3.93Å; A148-L185 HydrophobicContact CB-CG 4.34Å; V181-L185 WeakPolarHBondContact O-CB 3.48Å; V181-L185 PolarHBondContact O-N 3.07Å; E182-L185 PolarHBondContact O-N 3.2Å; L185-K187 PolarHBondContact O-N 2.82Å; L185-H188 CarbonylContact O-C 3.59Å; L185-H188 PolarHBondContact O-N 2.96Å; L185-H188 VanDerWaalsContact O-N 3.1Å; L185-I189 HydrophobicContact CD1-CD1 4.06Å; L185-I189 HydrophobicContact CD1-CG1 4.13Å; L185-I189 HydrophobicContact CD2-CD1 4.35Å; L185-I189 HydrophobicContact CG-CD1 3.65Å; L185-I189 HydrophobicContact CG-CG1 4.22Å; L185-I189 WeakPolarHBondContact O-CB 3.45Å; L185-I189 WeakPolarHBondContact O-CD1 3.41Å; L185-I189 WeakPolarHBondContact O-CG1 3.42Å; L185-I189 PolarHBondContact O-N 3.14Å |
| 186 | C | 83.5 | Confident | 75.4 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 12% | 0.122 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -38.3 | 177.7 | -85.9 | 0 | 0 | 0 | 0 | 114.1 | C146 E182 R183 H188 A190 | C146-C186 HydrophobicContact CB-CB 3.77Å; C146-C186 WeakPolarHBondContact CB-SG 3.36Å; C146-C186 PolarHBondContact O-SG 3.49Å; C146-C186 WeakPolarHBondContact SG-CA 3.47Å; C146-C186 WeakPolarHBondContact SG-CB 3.42Å; C146-C186 CovalentContact SG-SG 2.05Å; C146-C186 PolarHBondContact SG-SG 2.76Å; E182-C186 PolarHBondContact O-N 2.8Å; E182-C186 VanDerWaalsContact O-N 3.1Å; R183-C186 PolarHBondContact O-N 3.37Å; C186-H188 VanDerWaalsContact C-N 3.31Å; C186-H188 PolarHBondContact O-N 3.43Å; C186-A190 PolarHBondContact O-N 3.08Å |
| 187 | K | 78.9 | Confident | 75.9 | Confident | 164 Ų | 164 | 42.5 Ų | 42.5 | 71% | 0.713 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -61.7 | -42.7 | 172.1 | -172.7 | 179.6 | 179.7 | -178.4 | 0 | 111.2 | R183 T184 L185 A190 T191 | R183-K187 PolarHBondContact O-N 3.31Å; R183-K187 VanDerWaalsContact O-N 3.16Å; T184-K187 PolarHBondContact O-N 3.28Å; L185-K187 PolarHBondContact O-N 2.82Å; K187-A190 WeakPolarHBondContact O-CB 3.32Å; K187-A190 PolarHBondContact O-N 3.02Å; K187-T191 PolarHBondContact O-N 2.95Å; K187-T191 PolarHBondContact O-OG1 2.83Å |
| 188 | H | 75.3 | Confident | 76.3 | Confident | 31 Ų | 31 | 49 Ų | 49 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.7 | -39.3 | -179.8 | -167.9 | 61.7 | 0 | 0 | 0 | 113 | S50 T184 L185 C186 T191 S192 | S50-H188 VanDerWaalsContact CB-CE1 3.43Å; S50-H188 WeakPolarHBondContact CB-CE1 3.32Å; S50-H188 WeakPolarHBondContact CB-NE2 3.37Å; T184-H188 WeakPolarHBondContact O-CB 3.37Å; T184-H188 PolarHBondContact O-N 3.23Å; L185-H188 CarbonylContact O-C 3.59Å; L185-H188 PolarHBondContact O-N 2.96Å; L185-H188 VanDerWaalsContact O-N 3.1Å; C186-H188 VanDerWaalsContact C-N 3.31Å; C186-H188 PolarHBondContact O-N 3.43Å; H188-T191 WeakPolarHBondContact CA-OG1 3.36Å; H188-T191 PolarHBondContact O-N 3.23Å; H188-T191 PolarHBondContact O-OG1 3.49Å; H188-S192 VanDerWaalsContact O-CB 3.27Å; H188-S192 WeakPolarHBondContact O-CB 3.47Å; H188-S192 PolarHBondContact O-N 3.12Å; H188-S192 PolarHBondContact O-OG 3.22Å |
| 189 | I | 79.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.2 | -53.6 | 172.2 | -74.7 | 164.1 | 0 | 0 | 0 | 108.1 | F126 A128 L185 T191 S192 L193 | F126-I189 HydrophobicContact CB-CD1 3.64Å; F126-I189 HydrophobicContact CD1-CD1 3.56Å; F126-I189 HydrophobicContact CD1-CG1 4.36Å; F126-I189 HydrophobicContact CD2-CD1 3.41Å; F126-I189 VanDerWaalsContact CD2-CD1 3.41Å; F126-I189 HydrophobicContact CD2-CG1 4.27Å; F126-I189 HydrophobicContact CE1-CD1 3.94Å; F126-I189 HydrophobicContact CE1-CG1 4.26Å; F126-I189 HydrophobicContact CE2-CD1 3.82Å; F126-I189 HydrophobicContact CE2-CG1 4.19Å; F126-I189 HydrophobicContact CE2-CG2 4.26Å; F126-I189 HydrophobicContact CG-CD1 3.25Å; F126-I189 HydrophobicContact CG-CG1 4.35Å; F126-I189 HydrophobicContact CZ-CD1 4.06Å; F126-I189 HydrophobicContact CZ-CG1 4.17Å; A128-I189 HydrophobicContact CB-CG2 4.17Å; L185-I189 HydrophobicContact CD1-CD1 4.06Å; L185-I189 HydrophobicContact CD1-CG1 4.13Å; L185-I189 HydrophobicContact CD2-CD1 4.35Å; L185-I189 HydrophobicContact CG-CD1 3.65Å; L185-I189 HydrophobicContact CG-CG1 4.22Å; L185-I189 WeakPolarHBondContact O-CB 3.45Å; L185-I189 WeakPolarHBondContact O-CD1 3.41Å; L185-I189 WeakPolarHBondContact O-CG1 3.42Å; L185-I189 PolarHBondContact O-N 3.14Å; I189-T191 VanDerWaalsContact C-N 3.32Å; I189-T191 PolarHBondContact O-N 2.98Å; I189-S192 CarbonylContact O-C 3.59Å; I189-S192 WeakPolarHBondContact O-CA 3.36Å; I189-S192 PolarHBondContact O-N 2.98Å; I189-L193 HydrophobicContact CG2-CD1 3.4Å; I189-L193 HydrophobicContact CG2-CD2 3.94Å; I189-L193 HydrophobicContact CG2-CG 3.47Å; I189-L193 VanDerWaalsContact CG2-CG 3.47Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 3.09Å |
| 190 | A | 80 | Confident | 76.6 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -50.8 | -51.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M143 C186 K187 S192 L193 F194 | M143-A190 HydrophobicContact CE-CB 3.41Å; M143-A190 VanDerWaalsContact CE-CB 3.41Å; M143-A190 HydrophobicContact SD-CB 3.78Å; C186-A190 PolarHBondContact O-N 3.08Å; K187-A190 WeakPolarHBondContact O-CB 3.32Å; K187-A190 PolarHBondContact O-N 3.02Å; A190-S192 PolarHBondContact O-N 2.84Å; A190-L193 PolarHBondContact O-N 2.99Å; A190-F194 HydrophobicContact CB-CD2 4.24Å; A190-F194 HydrophobicContact CB-CE2 4.04Å; A190-F194 WeakPolarHBondContact O-CB 3.49Å; A190-F194 WeakPolarHBondContact O-CD2 3.24Å; A190-F194 PolarHBondContact O-N 2.74Å; A190-F194 VanDerWaalsContact O-N 3.16Å |
| 191 | T | 76.5 | Confident | 76.8 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.3 | -23.4 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | K187 H188 I189 P195 | K187-T191 PolarHBondContact O-N 2.95Å; K187-T191 PolarHBondContact O-OG1 2.83Å; H188-T191 WeakPolarHBondContact CA-OG1 3.36Å; H188-T191 PolarHBondContact O-N 3.23Å; H188-T191 PolarHBondContact O-OG1 3.49Å; I189-T191 VanDerWaalsContact C-N 3.32Å; I189-T191 PolarHBondContact O-N 2.98Å; T191-P195 WeakPolarHBondContact O-CD 3.31Å; T191-P195 WeakPolarHBondContact O-CG 3.24Å |
| 192 | S | 74.4 | Confident | 76 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -95.7 | -32 | -179.3 | -61.5 | 0 | 0 | 0 | 0 | 113.7 | R46 H188 I189 A190 P196 | R46-S192 WeakPolarHBondContact CD-O 3.44Å; H188-S192 VanDerWaalsContact O-CB 3.27Å; H188-S192 WeakPolarHBondContact O-CB 3.47Å; H188-S192 PolarHBondContact O-N 3.12Å; H188-S192 PolarHBondContact O-OG 3.22Å; I189-S192 CarbonylContact O-C 3.59Å; I189-S192 WeakPolarHBondContact O-CA 3.36Å; I189-S192 PolarHBondContact O-N 2.98Å; A190-S192 PolarHBondContact O-N 2.84Å; S192-P196 WeakPolarHBondContact O-CD 3.5Å; S192-P196 WeakPolarHBondContact O-CG 3.4Å |
| 193 | L | 73.8 | Confident | 74.9 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -79.5 | -41.2 | 179.4 | -57.6 | -167.8 | 0 | 0 | 0 | 112.1 | W39 F43 A128 I130 I189 A190 P196 F197 | W39-L193 HydrophobicContact CH2-CD2 3.51Å; W39-L193 HydrophobicContact CZ2-CB 4.07Å; W39-L193 HydrophobicContact CZ2-CD1 4.09Å; W39-L193 HydrophobicContact CZ2-CD2 3.17Å; W39-L193 HydrophobicContact CZ2-CG 3.9Å; F43-L193 HydrophobicContact CD2-CD2 3.3Å; F43-L193 HydrophobicContact CE2-CD2 3.27Å; F43-L193 HydrophobicContact CG-CD2 4.09Å; F43-L193 HydrophobicContact CZ-CD2 4.03Å; A128-L193 HydrophobicContact CB-CD1 3.77Å; I130-L193 HydrophobicContact CD1-CB 4.33Å; I130-L193 HydrophobicContact CD1-CD1 4.15Å; I189-L193 HydrophobicContact CG2-CD1 3.4Å; I189-L193 HydrophobicContact CG2-CD2 3.94Å; I189-L193 HydrophobicContact CG2-CG 3.47Å; I189-L193 VanDerWaalsContact CG2-CG 3.47Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 3.09Å; A190-L193 PolarHBondContact O-N 2.99Å; L193-P196 WeakPolarHBondContact O-CD 3.28Å; L193-F197 WeakPolarHBondContact O-CB 3.37Å; L193-F197 PolarHBondContact O-N 2.86Å; L193-F197 VanDerWaalsContact O-N 3.11Å |
| 194 | F | 78.8 | Confident | 73.9 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 18% | 0.18 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -42 | -171.4 | -79.8 | -58.7 | 0 | 0 | 0 | 113.5 | M143 A190 F197 R198 | M143-F194 HydrophobicContact CB-CE1 4.42Å; M143-F194 HydrophobicContact CB-CE2 4.01Å; M143-F194 HydrophobicContact CB-CZ 3.5Å; M143-F194 VanDerWaalsContact N-CZ 3.28Å; A190-F194 HydrophobicContact CB-CD2 4.24Å; A190-F194 HydrophobicContact CB-CE2 4.04Å; A190-F194 WeakPolarHBondContact O-CB 3.49Å; A190-F194 WeakPolarHBondContact O-CD2 3.24Å; A190-F194 PolarHBondContact O-N 2.74Å; A190-F194 VanDerWaalsContact O-N 3.16Å; F194-F197 PolarHBondContact O-N 3.1Å; F194-R198 VanDerWaalsContact O-CB 3.28Å; F194-R198 WeakPolarHBondContact O-CB 3.42Å; F194-R198 VanDerWaalsContact O-CG 3.24Å; F194-R198 WeakPolarHBondContact O-CG 3.25Å; F194-R198 PolarHBondContact O-N 2.77Å |
| 195 | P | 79.6 | Confident | 73.8 | Confident | 39 Ų | 39 | 41.3 Ų | 41.3 | 25% | 0.253 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66 | -44.1 | -177.9 | -23.2 | 36.3 | 0 | 0 | 0 | 113.4 | R46 T191 F197 R198 S199 | R46-P195 VanDerWaalsContact CZ-CB 3.4Å; R46-P195 VanDerWaalsContact CZ-CG 3.44Å; T191-P195 WeakPolarHBondContact O-CD 3.31Å; T191-P195 WeakPolarHBondContact O-CG 3.24Å; P195-F197 VanDerWaalsContact C-N 3.32Å; P195-F197 PolarHBondContact O-N 3.22Å; P195-R198 PolarHBondContact O-N 2.93Å; P195-S199 WeakPolarHBondContact O-CB 3.28Å; P195-S199 PolarHBondContact O-N 2.76Å; P195-S199 PolarHBondContact O-OG 2.85Å |
| 196 | P | 77 | Confident | 74.1 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.032 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.6 | -40.3 | 168.5 | -26.9 | 35.4 | 0 | 0 | 0 | 113.7 | L42 S192 L193 S199 I200 | L42-P196 HydrophobicContact CB-CB 3.89Å; L42-P196 HydrophobicContact CB-CG 4.23Å; L42-P196 HydrophobicContact CD1-CB 4.39Å; S192-P196 WeakPolarHBondContact O-CD 3.5Å; S192-P196 WeakPolarHBondContact O-CG 3.4Å; L193-P196 WeakPolarHBondContact O-CD 3.28Å; P196-S199 WeakPolarHBondContact CA-OG 3.41Å; P196-S199 PolarHBondContact O-N 3.32Å; P196-S199 PolarHBondContact O-OG 2.86Å; P196-I200 WeakPolarHBondContact O-CB 3.08Å; P196-I200 VanDerWaalsContact O-CG1 3.22Å; P196-I200 WeakPolarHBondContact O-CG1 3Å; P196-I200 PolarHBondContact O-N 2.83Å |
| 197 | F | 77.3 | Confident | 74.3 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -48.5 | 176.9 | -166.5 | -70.3 | 0 | 0 | 0 | 111.1 | F90 I130 V132 P141 L193 F194 P195 S199 I200 F201 | F90-F197 AromaticContact CD2-CE2 3.46Å; F90-F197 HydrophobicContact CD2-CE2 3.46Å; F90-F197 VanDerWaalsContact CD2-CE2 3.46Å; F90-F197 AromaticContact CD2-CZ 3.82Å; F90-F197 HydrophobicContact CD2-CZ 3.82Å; F90-F197 AromaticContact CE2-CE2 3.77Å; F90-F197 HydrophobicContact CE2-CE2 3.77Å; F90-F197 AromaticContact CE2-CZ 3.76Å; F90-F197 HydrophobicContact CE2-CZ 3.76Å; F90-F197 HydrophobicContact CG-CE2 4.35Å; I130-F197 HydrophobicContact CD1-CD2 4Å; I130-F197 HydrophobicContact CG2-CD2 4.33Å; I130-F197 HydrophobicContact CG2-CE2 4.12Å; I130-F197 HydrophobicContact CG2-CZ 4.47Å; V132-F197 HydrophobicContact CG2-CE1 4.49Å; V132-F197 HydrophobicContact CG2-CE2 4.41Å; V132-F197 HydrophobicContact CG2-CZ 3.68Å; P141-F197 HydrophobicContact CB-CD1 3.4Å; P141-F197 HydrophobicContact CB-CE1 3.29Å; P141-F197 HydrophobicContact CB-CE2 4.48Å; P141-F197 HydrophobicContact CB-CG 4.07Å; P141-F197 HydrophobicContact CB-CZ 3.87Å; P141-F197 HydrophobicContact CG-CD1 3.33Å; P141-F197 HydrophobicContact CG-CE1 3.52Å; P141-F197 HydrophobicContact CG-CG 4.25Å; L193-F197 WeakPolarHBondContact O-CB 3.37Å; L193-F197 PolarHBondContact O-N 2.86Å; L193-F197 VanDerWaalsContact O-N 3.11Å; F194-F197 PolarHBondContact O-N 3.1Å; P195-F197 VanDerWaalsContact C-N 3.32Å; P195-F197 PolarHBondContact O-N 3.22Å; F197-S199 VanDerWaalsContact C-N 3.28Å; F197-S199 PolarHBondContact O-N 3.35Å; F197-I200 PolarHBondContact O-N 2.94Å; F197-I200 VanDerWaalsContact O-N 3.16Å; F197-F201 HydrophobicContact CD1-CB 4.39Å; F197-F201 AromaticContact CD1-CD2 3.61Å; F197-F201 HydrophobicContact CD1-CD2 3.61Å; F197-F201 HydrophobicContact CD1-CE2 4.38Å; F197-F201 HydrophobicContact CD1-CG 4.42Å; F197-F201 HydrophobicContact CD2-CD2 4.31Å; F197-F201 HydrophobicContact CD2-CE2 4.33Å; F197-F201 HydrophobicContact CE1-CB 4.04Å; F197-F201 AromaticContact CE1-CD2 3.18Å; F197-F201 HydrophobicContact CE1-CD2 3.18Å; F197-F201 AromaticContact CE1-CE2 3.81Å; F197-F201 HydrophobicContact CE1-CE2 3.81Å; F197-F201 AromaticContact CE1-CG 3.87Å; F197-F201 HydrophobicContact CE1-CG 3.87Å; F197-F201 AromaticContact CE2-CD2 3.96Å; F197-F201 HydrophobicContact CE2-CD2 3.96Å; F197-F201 AromaticContact CE2-CE2 3.76Å; F197-F201 HydrophobicContact CE2-CE2 3.76Å; F197-F201 HydrophobicContact CG-CD2 4.17Å; F197-F201 AromaticContact CZ-CD2 3.4Å; F197-F201 HydrophobicContact CZ-CD2 3.4Å; F197-F201 AromaticContact CZ-CE2 3.49Å; F197-F201 HydrophobicContact CZ-CE2 3.49Å; F197-F201 VanDerWaalsContact CZ-CE2 3.49Å; F197-F201 HydrophobicContact CZ-CG 4.3Å; F197-F201 HydrophobicContact CZ-CZ 4.46Å; F197-F201 PolarHBondContact O-N 2.65Å |
| 198 | R | 76.3 | Confident | 74.7 | Confident | 164 Ų | 164 | 42.6 Ų | 42.6 | 62% | 0.619 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60.3 | -39.9 | 178.2 | -75.9 | 178.1 | -174.7 | -164.3 | 2.9 | 110.7 | F194 P195 F201 S202 | F194-R198 VanDerWaalsContact O-CB 3.28Å; F194-R198 WeakPolarHBondContact O-CB 3.42Å; F194-R198 VanDerWaalsContact O-CG 3.24Å; F194-R198 WeakPolarHBondContact O-CG 3.25Å; F194-R198 PolarHBondContact O-N 2.77Å; P195-R198 PolarHBondContact O-N 2.93Å; R198-F201 CarbonylContact O-C 3.57Å; R198-S202 WeakPolarHBondContact O-CA 3.37Å; R198-S202 WeakPolarHBondContact O-CB 3.45Å; R198-S202 PolarHBondContact O-N 3.12Å |
| 199 | S | 73.7 | Confident | 75.2 | Confident | 40 Ų | 40 | 48 Ų | 48 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.1 | -44.2 | 175.2 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | P195 P196 F197 F201 I456 | P195-S199 WeakPolarHBondContact O-CB 3.28Å; P195-S199 PolarHBondContact O-N 2.76Å; P195-S199 PolarHBondContact O-OG 2.85Å; P196-S199 WeakPolarHBondContact CA-OG 3.41Å; P196-S199 PolarHBondContact O-N 3.32Å; P196-S199 PolarHBondContact O-OG 2.86Å; F197-S199 VanDerWaalsContact C-N 3.28Å; F197-S199 PolarHBondContact O-N 3.35Å; S199-F201 PolarHBondContact O-N 2.84Å; S199-I456 WeakPolarHBondContact O-CG2 3.4Å |
| 200 | I | 73.9 | Confident | 75.5 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.7 | -69.3 | 168.6 | 0 | 0 | 0 | 112.3 | V35 T38 W39 L42 P196 F197 T455 I456 | V35-I200 HydrophobicContact CG1-CG2 3.92Å; T38-I200 HydrophobicContact CG2-CD1 4.47Å; W39-I200 HydrophobicContact CB-CD1 3.69Å; W39-I200 HydrophobicContact CG-CD1 4.4Å; L42-I200 HydrophobicContact CD1-CD1 4.3Å; L42-I200 HydrophobicContact CD1-CG1 4.33Å; P196-I200 WeakPolarHBondContact O-CB 3.08Å; P196-I200 VanDerWaalsContact O-CG1 3.22Å; P196-I200 WeakPolarHBondContact O-CG1 3Å; P196-I200 PolarHBondContact O-N 2.83Å; F197-I200 PolarHBondContact O-N 2.94Å; F197-I200 VanDerWaalsContact O-N 3.16Å; I200-T455 WeakPolarHBondContact O-CA 3.39Å; I200-T455 WeakPolarHBondContact O-CB 3.46Å; I200-T455 PolarHBondContact O-OG1 3.48Å; I200-I456 HydrophobicContact CG1-CD1 3.99Å; I200-I456 HydrophobicContact CG1-CG1 4.39Å |
| 201 | F | 73.3 | Confident | 75.5 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 9% | 0.088 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 26.5 | -175.2 | -65.1 | -76.9 | 0 | 0 | 0 | 113.5 | L27 V35 F90 L139 F197 R198 S199 M203 | L27-F201 HydrophobicContact CD2-CE1 4.46Å; V35-F201 HydrophobicContact CG1-CE2 3.98Å; V35-F201 HydrophobicContact CG1-CZ 3.74Å; F90-F201 HydrophobicContact CE2-CE2 4.13Å; F90-F201 HydrophobicContact CE2-CZ 4.08Å; F90-F201 HydrophobicContact CZ-CE2 4.34Å; F90-F201 AromaticContact CZ-CZ 3.91Å; F90-F201 HydrophobicContact CZ-CZ 3.91Å; L139-F201 HydrophobicContact CD2-CB 4.46Å; L139-F201 HydrophobicContact CD2-CD1 4.11Å; F197-F201 HydrophobicContact CD1-CB 4.39Å; F197-F201 AromaticContact CD1-CD2 3.61Å; F197-F201 HydrophobicContact CD1-CD2 3.61Å; F197-F201 HydrophobicContact CD1-CE2 4.38Å; F197-F201 HydrophobicContact CD1-CG 4.42Å; F197-F201 HydrophobicContact CD2-CD2 4.31Å; F197-F201 HydrophobicContact CD2-CE2 4.33Å; F197-F201 HydrophobicContact CE1-CB 4.04Å; F197-F201 AromaticContact CE1-CD2 3.18Å; F197-F201 HydrophobicContact CE1-CD2 3.18Å; F197-F201 AromaticContact CE1-CE2 3.81Å; F197-F201 HydrophobicContact CE1-CE2 3.81Å; F197-F201 AromaticContact CE1-CG 3.87Å; F197-F201 HydrophobicContact CE1-CG 3.87Å; F197-F201 AromaticContact CE2-CD2 3.96Å; F197-F201 HydrophobicContact CE2-CD2 3.96Å; F197-F201 AromaticContact CE2-CE2 3.76Å; F197-F201 HydrophobicContact CE2-CE2 3.76Å; F197-F201 HydrophobicContact CG-CD2 4.17Å; F197-F201 AromaticContact CZ-CD2 3.4Å; F197-F201 HydrophobicContact CZ-CD2 3.4Å; F197-F201 AromaticContact CZ-CE2 3.49Å; F197-F201 HydrophobicContact CZ-CE2 3.49Å; F197-F201 VanDerWaalsContact CZ-CE2 3.49Å; F197-F201 HydrophobicContact CZ-CG 4.3Å; F197-F201 HydrophobicContact CZ-CZ 4.46Å; F197-F201 PolarHBondContact O-N 2.65Å; R198-F201 CarbonylContact O-C 3.57Å; S199-F201 PolarHBondContact O-N 2.84Å; F201-M203 PolarHBondContact O-N 3.16Å |
| 202 | S | 57.5 | Low | 75.5 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 42% | 0.42 | 28% | 0.283 | S | S | . | . | trans | -67.5 | 91.6 | -174.6 | 146.6 | 0 | 0 | 0 | 0 | 111.5 | R198 P204 | R198-S202 WeakPolarHBondContact O-CA 3.37Å; R198-S202 WeakPolarHBondContact O-CB 3.45Å; R198-S202 PolarHBondContact O-N 3.12Å; S202-P204 VanDerWaalsContact C-CD 3.4Å; S202-P204 WeakPolarHBondContact O-CD 3.48Å | ||
| 203 | M | 59.1 | Low | 76.1 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | trans | -108.5 | 77.5 | 168.1 | -75.5 | -174.1 | -148 | 0 | 0 | 109.7 | F201 A205 Y218 Y235 A454 | F201-M203 PolarHBondContact O-N 3.16Å; M203-A205 PolarHBondContact O-N 2.78Å; M203-Y218 HydrophobicContact CB-CE2 4.05Å; M203-Y218 HydrophobicContact CG-CE2 4.38Å; M203-Y218 HydrophobicContact SD-CE2 4.43Å; M203-Y235 WeakPolarHBondContact CE-OH 3.41Å; M203-Y235 HydrophobicContact SD-CE1 3.91Å; M203-Y235 PolarHBondContact SD-OH 2.88Å; M203-A454 HydrophobicContact CE-CB 3.23Å | ||
| 204 | P | 55.1 | Low | 76.8 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 76% | 0.76 | 30% | 0.301 | S | S | * | . | trans | -71.8 | -30.2 | -168.9 | 25.6 | -33.9 | 0 | 0 | 0 | 114.1 | S202 | S202-P204 VanDerWaalsContact C-CD 3.4Å; S202-P204 WeakPolarHBondContact O-CD 3.48Å | ||
| 205 | A | 69.9 | Low | 77.4 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | trans | -94.2 | 171.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M203 K207 Y218 | M203-A205 PolarHBondContact O-N 2.78Å; A205-K207 WeakPolarHBondContact CB-O 3.2Å; A205-Y218 WeakPolarHBondContact CA-OH 3.1Å; A205-Y218 HydrophobicContact CB-CE1 4.03Å; A205-Y218 WeakPolarHBondContact CB-OH 3.46Å; A205-Y218 PolarHBondContact N-OH 3.37Å; A205-Y218 WeakPolarHBondContact O-CE2 3.38Å; A205-Y218 PolarHBondContact O-OH 2.88Å | ||
| 206 | K | 83.7 | Confident | 77.9 | Confident | 102 Ų | 102 | 57.7 Ų | 57.7 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -109.9 | -4.5 | 164 | -70.7 | -175.2 | -80 | -176.6 | 0 | 111.8 | N136 V138 Y218 S219 | N136-K206 VanDerWaalsContact O-CD 3.22Å; N136-K206 WeakPolarHBondContact O-CD 3.39Å; N136-K206 PolarHBondContact O-NZ 3.26Å; V138-K206 HydrophobicContact CG2-CD 3.92Å; V138-K206 HydrophobicContact CG2-CG 3.8Å; K206-Y218 VanDerWaalsContact C-CD1 3.45Å; K206-Y218 PolarHBondContact O-N 3.21Å; K206-S219 PolarHBondContact O-N 3.34Å |
| 207 | K | 86.8 | Confident | 78.6 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.7 | -178.3 | 68.9 | -179.6 | -173.3 | 177.7 | 0 | 110.7 | A205 Y215 L216 Y218 Y240 D242 | A205-K207 WeakPolarHBondContact CB-O 3.2Å; K207-Y215 HydrophobicContact CB-CD1 4.3Å; K207-Y215 HydrophobicContact CD-CD1 3.79Å; K207-Y215 HydrophobicContact CD-CE1 4.25Å; K207-Y215 HydrophobicContact CD-CG 4.24Å; K207-Y215 HydrophobicContact CG-CD1 3.98Å; K207-L216 CarbonylContact C-O 3.53Å; K207-L216 VanDerWaalsContact CA-O 3.23Å; K207-L216 WeakPolarHBondContact CA-O 3.23Å; K207-Y218 VanDerWaalsContact N-CE1 3.31Å; K207-Y218 WeakPolarHBondContact O-CE1 3.18Å; K207-Y240 WeakPolarHBondContact CD-OH 3.2Å; K207-D242 IonicContact NZ-OD2 3.2Å; K207-D242 PolarHBondContact NZ-OD2 2.85Å |
| 208 | L | 86.7 | Confident | 79.1 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 13% | 0.131 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.5 | 175.5 | 175 | 69.6 | 0 | 0 | 0 | 108.2 | L210 Y215 L216 Y218 K450 P452 | L208-L210 HydrophobicContact CD2-CD2 4.21Å; L208-L210 HydrophobicContact CG-CD2 4.44Å; L208-L210 PolarHBondContact O-N 2.83Å; L208-Y215 CarbonylContact O-C 3.52Å; L208-Y215 VanDerWaalsContact O-CA 3.28Å; L208-Y215 WeakPolarHBondContact O-CA 2.96Å; L208-L216 HydrophobicContact CB-CB 4.26Å; L208-L216 HydrophobicContact CD2-CD2 4.3Å; L208-L216 PolarHBondContact N-O 2.93Å; L208-L216 PolarHBondContact O-N 2.94Å; L208-Y218 HydrophobicContact CB-CD1 4.02Å; L208-Y218 HydrophobicContact CB-CE1 4.17Å; L208-K450 HydrophobicContact CD1-CD 4.03Å; L208-K450 HydrophobicContact CD1-CG 4.46Å; L208-K450 HydrophobicContact CD2-CG 4.36Å; L208-P452 HydrophobicContact CD2-CB 4.16Å |
| 209 | R | 87 | Confident | 79.7 | Confident | 145 Ų | 145 | 52.8 Ų | 52.8 | 55% | 0.547 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 119.7 | 173.5 | -168.1 | 178.8 | -174.1 | -169.7 | 3.9 | 109.3 | E212 Y215 | R209-E212 VanDerWaalsContact CZ-O 3.24Å; R209-E212 PolarHBondContact NE-O 3.43Å; R209-E212 PolarHBondContact NH2-O 3.03Å; R209-Y215 HydrophobicContact CB-CD1 3.94Å; R209-Y215 HydrophobicContact CB-CE1 3.65Å; R209-Y215 HydrophobicContact CG-CD1 4.33Å; R209-Y215 HydrophobicContact CG-CE1 3.81Å |
| 210 | L | 84.6 | Confident | 80.5 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 17% | 0.173 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -47.9 | 177.3 | -60.3 | -179.8 | 0 | 0 | 0 | 110.8 | L208 Y214 L216 V239 M449 | L208-L210 HydrophobicContact CD2-CD2 4.21Å; L208-L210 HydrophobicContact CG-CD2 4.44Å; L208-L210 PolarHBondContact O-N 2.83Å; L210-Y214 PolarHBondContact N-O 2.95Å; L210-L216 HydrophobicContact CD1-CB 4.14Å; L210-L216 HydrophobicContact CD2-CB 4.03Å; L210-L216 HydrophobicContact CG-CB 4.1Å; L210-V239 HydrophobicContact CD1-CB 4.46Å; L210-V239 HydrophobicContact CD1-CG1 3.67Å; L210-V239 HydrophobicContact CD1-CG2 3.87Å; L210-M449 HydrophobicContact CD1-CE 4.3Å |
| 211 | T | 79.9 | Confident | 81.4 | Confident | 82 Ų | 82 | 53.5 Ų | 53.5 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 175.2 | 174.7 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | N213 Y214 | T211-N213 VanDerWaalsContact C-N 3.32Å; T211-N213 PolarHBondContact O-N 2.86Å; T211-Y214 HydrophobicContact CG2-CD2 3.68Å; T211-Y214 HydrophobicContact CG2-CG 4.24Å; T211-Y214 PolarHBondContact N-O 3.33Å; T211-Y214 PolarHBondContact O-N 3.17Å |
| 212 | E | 77.7 | Confident | 82.2 | Confident | 136 Ų | 136 | 53.8 Ų | 53.8 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -19.7 | -65.3 | -167.8 | -71.7 | -179.2 | 172.8 | 0 | 0 | 115.1 | R209 | R209-E212 VanDerWaalsContact CZ-O 3.24Å; R209-E212 PolarHBondContact NE-O 3.43Å; R209-E212 PolarHBondContact NH2-O 3.03Å |
| 213 | N | 87 | Confident | 83.9 | Confident | 68 Ų | 68 | 56 Ų | 56 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 12.3 | -175.5 | -61.2 | -38.3 | 0 | 0 | 0 | 113.9 | T211 M241 D242 | T211-N213 VanDerWaalsContact C-N 3.32Å; T211-N213 PolarHBondContact O-N 2.86Å; N213-M241 HydrophobicContact CB-CG 4.22Å; N213-M241 CarbonylContact O-C 3.42Å; N213-M241 VanDerWaalsContact O-CA 3.3Å; N213-M241 WeakPolarHBondContact O-CA 3.18Å; N213-D242 PolarHBondContact O-N 3.28Å |
| 214 | Y | 89.1 | Confident | 85.5 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.6 | -178.5 | -64.8 | -93.3 | 0 | 0 | 0 | 111.3 | L210 T211 Y240 M241 L283 L287 A290 | L210-Y214 PolarHBondContact N-O 2.95Å; T211-Y214 HydrophobicContact CG2-CD2 3.68Å; T211-Y214 HydrophobicContact CG2-CG 4.24Å; T211-Y214 PolarHBondContact N-O 3.33Å; T211-Y214 PolarHBondContact O-N 3.17Å; Y214-Y240 WeakPolarHBondContact CA-O 2.97Å; Y214-M241 HydrophobicContact CD1-CB 4.02Å; Y214-M241 HydrophobicContact CD1-CG 4.41Å; Y214-M241 HydrophobicContact CE1-CB 3.82Å; Y214-M241 HydrophobicContact CE1-CG 4.1Å; Y214-M241 HydrophobicContact CE1-SD 4.38Å; Y214-L283 HydrophobicContact CD1-CD1 4.3Å; Y214-L287 HydrophobicContact CE1-CD2 4.02Å; Y214-L287 HydrophobicContact CE1-CG 4.25Å; Y214-L287 HydrophobicContact CE2-CD2 4.09Å; Y214-A290 VanDerWaalsContact OH-CB 3.25Å; Y214-A290 WeakPolarHBondContact OH-CB 3.39Å |
| 215 | Y | 90.5 | Very high | 87.4 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.2 | -173.7 | -65.3 | -95.8 | 0 | 0 | 0 | 110.6 | K207 L208 R209 V239 Y240 D242 | K207-Y215 HydrophobicContact CB-CD1 4.3Å; K207-Y215 HydrophobicContact CD-CD1 3.79Å; K207-Y215 HydrophobicContact CD-CE1 4.25Å; K207-Y215 HydrophobicContact CD-CG 4.24Å; K207-Y215 HydrophobicContact CG-CD1 3.98Å; L208-Y215 CarbonylContact O-C 3.52Å; L208-Y215 VanDerWaalsContact O-CA 3.28Å; L208-Y215 WeakPolarHBondContact O-CA 2.96Å; R209-Y215 HydrophobicContact CB-CD1 3.94Å; R209-Y215 HydrophobicContact CB-CE1 3.65Å; R209-Y215 HydrophobicContact CG-CD1 4.33Å; R209-Y215 HydrophobicContact CG-CE1 3.81Å; Y215-V239 CarbonylContact O-C 3.53Å; Y215-V239 VanDerWaalsContact O-CA 3.31Å; Y215-V239 WeakPolarHBondContact O-CA 3.3Å; Y215-Y240 PolarHBondContact N-O 2.93Å; Y215-Y240 WeakPolarHBondContact O-CD1 3.14Å; Y215-Y240 PolarHBondContact O-N 3.42Å; Y215-D242 HydrophobicContact CD2-CB 3.52Å; Y215-D242 HydrophobicContact CE2-CB 3.53Å |
| 216 | L | 89.9 | Confident | 88.5 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.4 | 167.3 | 172.6 | 67 | 0 | 0 | 0 | 109 | I23 K207 L208 L210 Y218 E238 V239 T279 | I23-L216 HydrophobicContact CD1-CD1 4.04Å; I23-L216 HydrophobicContact CD1-CD2 3.96Å; I23-L216 HydrophobicContact CD1-CG 4.46Å; K207-L216 CarbonylContact C-O 3.53Å; K207-L216 VanDerWaalsContact CA-O 3.23Å; K207-L216 WeakPolarHBondContact CA-O 3.23Å; L208-L216 HydrophobicContact CB-CB 4.26Å; L208-L216 HydrophobicContact CD2-CD2 4.3Å; L208-L216 PolarHBondContact N-O 2.93Å; L208-L216 PolarHBondContact O-N 2.94Å; L210-L216 HydrophobicContact CD1-CB 4.14Å; L210-L216 HydrophobicContact CD2-CB 4.03Å; L210-L216 HydrophobicContact CG-CB 4.1Å; L216-Y218 PolarHBondContact O-N 3.48Å; L216-E238 CarbonylContact C-O 3.58Å; L216-V239 HydrophobicContact CB-CG2 4.33Å; L216-V239 HydrophobicContact CD1-CG2 3.75Å; L216-T279 HydrophobicContact CD1-CG2 3.8Å |
| 217 | D | 90.9 | Very high | 88.9 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 110.7 | 168.8 | -164.3 | -31.7 | 0 | 0 | 0 | 109.2 | S219 N236 G237 E238 Y240 K246 | D217-S219 VanDerWaalsContact OD1-CB 3.26Å; D217-S219 WeakPolarHBondContact OD1-CB 3.08Å; D217-S219 PolarHBondContact OD1-N 2.98Å; D217-S219 PolarHBondContact OD1-OG 2.88Å; D217-N236 HydrophobicContact CB-CB 4.3Å; D217-G237 WeakPolarHBondContact O-CA 3.28Å; D217-G237 PolarHBondContact O-N 3.4Å; D217-E238 HydrophobicContact CB-CB 4.19Å; D217-E238 WeakPolarHBondContact CB-O 3.33Å; D217-E238 PolarHBondContact N-O 2.86Å; D217-Y240 HydrophobicContact CB-CD1 4.37Å; D217-Y240 HydrophobicContact CB-CE1 4.03Å; D217-K246 IonicContact OD2-NZ 3.07Å; D217-K246 PolarHBondContact OD2-NZ 3.2Å |
| 218 | Y | 87.7 | Confident | 89 | Confident | 31 Ų | 31 | 52 Ų | 52 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | trans | -112.1 | 25.5 | 176.3 | 75 | -93.6 | 0 | 0 | 0 | 111.3 | M203 A205 K206 K207 L208 L216 Y235 | M203-Y218 HydrophobicContact CB-CE2 4.05Å; M203-Y218 HydrophobicContact CG-CE2 4.38Å; M203-Y218 HydrophobicContact SD-CE2 4.43Å; A205-Y218 WeakPolarHBondContact CA-OH 3.1Å; A205-Y218 HydrophobicContact CB-CE1 4.03Å; A205-Y218 WeakPolarHBondContact CB-OH 3.46Å; A205-Y218 PolarHBondContact N-OH 3.37Å; A205-Y218 WeakPolarHBondContact O-CE2 3.38Å; A205-Y218 PolarHBondContact O-OH 2.88Å; K206-Y218 VanDerWaalsContact C-CD1 3.45Å; K206-Y218 PolarHBondContact O-N 3.21Å; K207-Y218 VanDerWaalsContact N-CE1 3.31Å; K207-Y218 WeakPolarHBondContact O-CE1 3.18Å; L208-Y218 HydrophobicContact CB-CD1 4.02Å; L208-Y218 HydrophobicContact CB-CE1 4.17Å; L216-Y218 PolarHBondContact O-N 3.48Å; Y218-Y235 WeakPolarHBondContact O-CD1 3.45Å | ||
| 219 | S | 90.3 | Very high | 89.2 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | trans | -62.9 | 141.3 | 170.8 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | G137 K206 D217 V221 Y235 N236 | G137-S219 WeakPolarHBondContact O-CA 3.47Å; K206-S219 PolarHBondContact O-N 3.34Å; D217-S219 VanDerWaalsContact OD1-CB 3.26Å; D217-S219 WeakPolarHBondContact OD1-CB 3.08Å; D217-S219 PolarHBondContact OD1-N 2.98Å; D217-S219 PolarHBondContact OD1-OG 2.88Å; S219-V221 PolarHBondContact O-N 3.15Å; S219-Y235 CarbonylContact O-C 3.48Å; S219-Y235 VanDerWaalsContact O-CA 3.28Å; S219-Y235 WeakPolarHBondContact O-CA 3.3Å; S219-N236 PolarHBondContact O-N 3.28Å | ||
| 220 | L | 91 | Very high | 89.4 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -64.5 | 128.4 | 173 | -75.7 | 171.4 | 0 | 0 | 0 | 110.7 | N134 G137 L139 T233 A234 Y235 | N134-L220 HydrophobicContact CB-CB 4.34Å; N134-L220 HydrophobicContact CB-CD1 4Å; N134-L220 VanDerWaalsContact ND2-CB 3.34Å; N134-L220 WeakPolarHBondContact ND2-CB 3.31Å; N134-L220 PolarHBondContact ND2-O 3.34Å; G137-L220 PolarHBondContact O-N 2.91Å; L139-L220 HydrophobicContact CB-CD1 3.85Å; L139-L220 HydrophobicContact CD1-CD1 3.88Å; L139-L220 VanDerWaalsContact N-CD1 3.32Å; L220-T233 HydrophobicContact CD2-CG2 4.06Å; L220-A234 WeakPolarHBondContact CA-O 3.31Å; L220-A234 WeakPolarHBondContact CD2-O 3.49Å; L220-Y235 HydrophobicContact CD2-CD1 3.7Å; L220-Y235 HydrophobicContact CD2-CE1 3.4Å; L220-Y235 VanDerWaalsContact CD2-CE1 3.4Å; L220-Y235 HydrophobicContact CD2-CG 4.46Å; L220-Y235 HydrophobicContact CG-CD1 4.09Å; L220-Y235 HydrophobicContact CG-CE1 3.86Å |
| 221 | V | 91.2 | Very high | 89.7 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -81.6 | -19 | 175.6 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | P21 S219 A234 N236 | P21-V221 HydrophobicContact CB-CG2 3.97Å; P21-V221 HydrophobicContact CG-CG2 4.5Å; S219-V221 PolarHBondContact O-N 3.15Å; V221-A234 HydrophobicContact CG2-CB 3.67Å; V221-A234 PolarHBondContact N-O 3.27Å; V221-N236 HydrophobicContact CG1-CB 4.12Å |
| 222 | G | 91.5 | Very high | 90.3 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -157.2 | 179.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N134 | N134-G222 WeakPolarHBondContact CB-O 3.33Å; N134-G222 PolarHBondContact ND2-O 2.99Å; N134-G222 VanDerWaalsContact ND2-O 3.14Å |
| 223 | N | 92.7 | Very high | 91 | Very high | 107 Ų | 107 | 38.4 Ų | 38.4 | 57% | 0.572 | 19% | 0.192 | S | C | * | . | trans | -66.2 | 149.7 | 171.3 | -78.5 | -43.3 | 0 | 0 | 0 | 110.7 | N134 | N134-N223 WeakPolarHBondContact CB-OD1 3.29Å; N134-N223 PolarHBondContact N-OD1 3.22Å | ||
| 224 | P | 92.9 | Very high | 91.3 | Very high | 14 Ų | 14 | 36 Ų | 36 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | trans | -59.6 | 142.8 | 172.3 | 26.9 | -34.8 | 0 | 0 | 0 | 110.6 | V132 L139 I226 F231 E232 T233 | V132-P224 HydrophobicContact CB-CG 4.45Å; V132-P224 HydrophobicContact CG1-CG 4.25Å; V132-P224 VanDerWaalsContact O-CG 3.3Å; V132-P224 WeakPolarHBondContact O-CG 3.4Å; L139-P224 HydrophobicContact CD1-CB 4.18Å; L139-P224 HydrophobicContact CD1-CG 3.96Å; P224-I226 HydrophobicContact CB-CD1 4.49Å; P224-I226 HydrophobicContact CB-CG1 4.21Å; P224-I226 HydrophobicContact CG-CD1 4.18Å; P224-I226 HydrophobicContact CG-CG1 4.37Å; P224-F231 HydrophobicContact CB-CE1 4.37Å; P224-F231 HydrophobicContact CB-CE2 3.98Å; P224-F231 HydrophobicContact CB-CZ 3.74Å; P224-F231 HydrophobicContact CG-CE2 4.42Å; P224-F231 HydrophobicContact CG-CZ 4.32Å; P224-E232 CarbonylContact C-O 3.59Å; P224-E232 VanDerWaalsContact CA-O 3.28Å; P224-E232 WeakPolarHBondContact CA-O 3.32Å; P224-T233 HydrophobicContact CB-CG2 3.96Å | ||
| 225 | I | 93.7 | Very high | 91.4 | Very high | 68 Ų | 68 | 35.9 Ų | 35.9 | 35% | 0.349 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115.9 | 172.7 | -53.7 | 175.9 | 0 | 0 | 0 | 107.4 | Y230 E232 | I225-Y230 HydrophobicContact CG2-CE2 3.99Å; I225-E232 HydrophobicContact CB-CB 4.24Å; I225-E232 PolarHBondContact N-O 2.96Å; I225-E232 PolarHBondContact O-N 3.43Å |
| 226 | I | 93.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 101.2 | -171.9 | -53.8 | -174.4 | 0 | 0 | 0 | 107.9 | I84 E85 Q86 G87 V132 P224 F231 | I84-I226 HydrophobicContact CD1-CG2 3.69Å; I84-I226 HydrophobicContact CG1-CG2 3.58Å; E85-I226 WeakPolarHBondContact O-CG2 3.46Å; Q86-I226 WeakPolarHBondContact CG-O 3.49Å; G87-I226 PolarHBondContact N-O 2.96Å; V132-I226 HydrophobicContact CB-CD1 4.42Å; P224-I226 HydrophobicContact CB-CD1 4.49Å; P224-I226 HydrophobicContact CB-CG1 4.21Å; P224-I226 HydrophobicContact CG-CD1 4.18Å; P224-I226 HydrophobicContact CG-CG1 4.37Å; I226-F231 HydrophobicContact CD1-CD2 4.08Å; I226-F231 HydrophobicContact CD1-CE2 3.76Å; I226-F231 HydrophobicContact CG1-CD2 3.8Å; I226-F231 HydrophobicContact CG1-CE2 3.86Å; I226-F231 HydrophobicContact CG2-CD2 4.48Å |
| 227 | G | 92.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -85.9 | -172.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y230 | G227-Y230 PolarHBondContact N-O 2.72Š| ||
| 228 | R | 89.6 | Confident | 91.6 | Very high | 187 Ų | 187 | 34.3 Ų | 34.3 | 71% | 0.706 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -71.9 | -33.9 | 173.8 | -65.8 | -177.3 | -178 | 177.8 | -1.6 | 112.8 | I84 | I84-R228 WeakPolarHBondContact CG2-O 3.5Š|
| 229 | D | 89.4 | Confident | 91.8 | Very high | 79 Ų | 79 | 32.9 Ų | 32.9 | 42% | 0.422 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -134 | 14.2 | -171.9 | -67 | -57.9 | 0 | 0 | 0 | 112.2 | T28 K29 | T28-D229 CarbonylContact C-O 3.57Å; K29-D229 VanDerWaalsContact CA-O 3.27Å; K29-D229 WeakPolarHBondContact CA-O 3.27Å; K29-D229 HydrophobicContact CB-CB 4.13Å; K29-D229 WeakPolarHBondContact CB-O 3.48Å; K29-D229 HydrophobicContact CD-CB 4.35Å; K29-D229 WeakPolarHBondContact CD-OD1 3.3Å; K29-D229 WeakPolarHBondContact CE-OD1 3.34Å; K29-D229 HydrophobicContact CG-CB 4.37Å; K29-D229 PolarHBondContact N-O 2.81Å; K29-D229 IonicContact NZ-OD1 3.82Å; K29-D229 PolarHBondContact NZ-OD1 2.62Å |
| 230 | Y | 91.5 | Very high | 91.9 | Very high | 48 Ų | 48 | 32.5 Ų | 32.5 | 19% | 0.188 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 154.4 | 179.2 | 68.7 | -93.7 | 0 | 0 | 0 | 112 | L26 L27 I225 G227 E232 R262 | L26-Y230 HydrophobicContact CD1-CD2 4.15Å; L26-Y230 HydrophobicContact CD1-CG 4.36Å; L27-Y230 CarbonylContact O-C 3.52Å; L27-Y230 VanDerWaalsContact O-CA 3.3Å; L27-Y230 WeakPolarHBondContact O-CA 3.28Å; I225-Y230 HydrophobicContact CG2-CE2 3.99Å; G227-Y230 PolarHBondContact N-O 2.72Å; Y230-E232 HydrophobicContact CD2-CB 4.45Å; Y230-R262 HydrophobicContact CD1-CB 4.32Å; Y230-R262 HydrophobicContact CD2-CG 4.41Å; Y230-R262 HydrophobicContact CE1-CB 4.37Å; Y230-R262 HydrophobicContact CE2-CG 4.27Å; Y230-R262 PolarHBondContact OH-NH1 3.25Å |
| 231 | F | 91.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 117.7 | 175.9 | 178.4 | -81.8 | 0 | 0 | 0 | 108.7 | L27 I32 I84 F90 V132 L139 P224 I226 T233 | L27-F231 HydrophobicContact CB-CB 4.13Å; L27-F231 PolarHBondContact N-O 2.9Å; L27-F231 PolarHBondContact O-N 2.78Å; I32-F231 HydrophobicContact CD1-CB 4.19Å; I32-F231 HydrophobicContact CG1-CB 4.28Å; I84-F231 HydrophobicContact CD1-CB 4.15Å; I84-F231 HydrophobicContact CD1-CD2 4.5Å; F90-F231 HydrophobicContact CE2-CE2 4.28Å; F90-F231 HydrophobicContact CZ-CD2 4.16Å; F90-F231 HydrophobicContact CZ-CE2 4.32Å; V132-F231 HydrophobicContact CB-CE2 4.4Å; V132-F231 HydrophobicContact CG1-CE2 4.36Å; V132-F231 HydrophobicContact CG1-CZ 4.14Å; L139-F231 HydrophobicContact CD1-CZ 4.19Å; L139-F231 HydrophobicContact CD2-CE1 4.3Å; L139-F231 HydrophobicContact CD2-CZ 4.13Å; P224-F231 HydrophobicContact CB-CE1 4.37Å; P224-F231 HydrophobicContact CB-CE2 3.98Å; P224-F231 HydrophobicContact CB-CZ 3.74Å; P224-F231 HydrophobicContact CG-CE2 4.42Å; P224-F231 HydrophobicContact CG-CZ 4.32Å; I226-F231 HydrophobicContact CD1-CD2 4.08Å; I226-F231 HydrophobicContact CD1-CE2 3.76Å; I226-F231 HydrophobicContact CG1-CD2 3.8Å; I226-F231 HydrophobicContact CG1-CE2 3.86Å; I226-F231 HydrophobicContact CG2-CD2 4.48Å; F231-T233 HydrophobicContact CD1-CG2 4.44Å; F231-T233 HydrophobicContact CE1-CG2 3.59Å; F231-T233 HydrophobicContact CZ-CG2 4.14Å |
| 232 | E | 92.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.2 | -173.2 | -177.9 | -176.1 | 173.1 | 0 | 0 | 110.7 | R24 V25 L26 P224 I225 Y230 T260 R262 | R24-E232 WeakPolarHBondContact CD-OE1 3.38Å; R24-E232 IonicContact CZ-OE1 2.87Å; R24-E232 IonicContact NH1-OE1 3.45Å; R24-E232 PolarHBondContact NH1-OE1 2.97Å; V25-E232 CarbonylContact O-C 3.59Å; V25-E232 WeakPolarHBondContact O-CA 3.44Å; L26-E232 HydrophobicContact CD1-CB 4.16Å; P224-E232 CarbonylContact C-O 3.59Å; P224-E232 VanDerWaalsContact CA-O 3.28Å; P224-E232 WeakPolarHBondContact CA-O 3.32Å; I225-E232 HydrophobicContact CB-CB 4.24Å; I225-E232 PolarHBondContact N-O 2.96Å; I225-E232 PolarHBondContact O-N 3.43Å; Y230-E232 HydrophobicContact CD2-CB 4.45Å; E232-T260 WeakPolarHBondContact OE1-CB 3.15Å; E232-T260 PolarHBondContact OE1-OG1 2.9Å; E232-R262 IonicContact OE2-CZ 2.77Å; E232-R262 IonicContact OE2-NE 3.42Å; E232-R262 PolarHBondContact OE2-NE 2.91Å; E232-R262 IonicContact OE2-NH2 3.54Å; E232-R262 PolarHBondContact OE2-NH2 3.1Å |
| 233 | T | 91.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.8 | 171.8 | 49 | 0 | 0 | 0 | 0 | 111 | R24 V25 L139 L220 P224 F231 Y235 | R24-T233 CarbonylContact C-O 3.56Å; R24-T233 WeakPolarHBondContact CA-O 3.19Å; V25-T233 PolarHBondContact N-O 3.22Å; V25-T233 PolarHBondContact O-N 3.49Å; L139-T233 HydrophobicContact CD1-CG2 3.93Å; L139-T233 HydrophobicContact CD2-CG2 4.39Å; L220-T233 HydrophobicContact CD2-CG2 4.06Å; P224-T233 HydrophobicContact CB-CG2 3.96Å; F231-T233 HydrophobicContact CD1-CG2 4.44Å; F231-T233 HydrophobicContact CE1-CG2 3.59Å; F231-T233 HydrophobicContact CZ-CG2 4.14Å; T233-Y235 WeakPolarHBondContact CB-OH 3.48Å; T233-Y235 WeakPolarHBondContact OG1-CE2 3.38Å; T233-Y235 PolarHBondContact OG1-OH 3.07Å |
| 234 | A | 92.7 | Very high | 90 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 15% | 0.149 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P21 R24 L220 V221 | P21-A234 HydrophobicContact CB-CB 3.88Å; P21-A234 HydrophobicContact CG-CB 3.93Å; R24-A234 HydrophobicContact CG-CB 4.31Å; L220-A234 WeakPolarHBondContact CA-O 3.31Å; L220-A234 WeakPolarHBondContact CD2-O 3.49Å; V221-A234 HydrophobicContact CG2-CB 3.67Å; V221-A234 PolarHBondContact N-O 3.27Å |
| 235 | Y | 91.7 | Very high | 88.9 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 153.1 | -172.9 | -54.5 | -83.3 | 0 | 0 | 0 | 111.4 | P21 G22 I23 V25 M203 Y218 S219 L220 T233 G237 | P21-Y235 WeakPolarHBondContact CA-O 3.12Å; P21-Y235 VanDerWaalsContact CB-O 3.23Å; P21-Y235 WeakPolarHBondContact CB-O 3.1Å; G22-Y235 PolarHBondContact N-O 3.02Å; G22-Y235 VanDerWaalsContact N-O 3.12Å; I23-Y235 HydrophobicContact CG2-CD2 4.21Å; I23-Y235 PolarHBondContact N-O 3.44Å; I23-Y235 PolarHBondContact O-N 3.09Å; V25-Y235 HydrophobicContact CB-CE2 4.08Å; V25-Y235 HydrophobicContact CG2-CD2 4.24Å; V25-Y235 HydrophobicContact CG2-CE2 3.67Å; M203-Y235 WeakPolarHBondContact CE-OH 3.41Å; M203-Y235 HydrophobicContact SD-CE1 3.91Å; M203-Y235 PolarHBondContact SD-OH 2.88Å; Y218-Y235 WeakPolarHBondContact O-CD1 3.45Å; S219-Y235 CarbonylContact O-C 3.48Å; S219-Y235 VanDerWaalsContact O-CA 3.28Å; S219-Y235 WeakPolarHBondContact O-CA 3.3Å; L220-Y235 HydrophobicContact CD2-CD1 3.7Å; L220-Y235 HydrophobicContact CD2-CE1 3.4Å; L220-Y235 VanDerWaalsContact CD2-CE1 3.4Å; L220-Y235 HydrophobicContact CD2-CG 4.46Å; L220-Y235 HydrophobicContact CG-CD1 4.09Å; L220-Y235 HydrophobicContact CG-CE1 3.86Å; T233-Y235 WeakPolarHBondContact CB-OH 3.48Å; T233-Y235 WeakPolarHBondContact OG1-CE2 3.38Å; T233-Y235 PolarHBondContact OG1-OH 3.07Å; Y235-G237 PolarHBondContact O-N 3.27Å |
| 236 | N | 91.9 | Very high | 87.8 | Confident | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.171 | 21% | 0.21 | C | C | . | . | trans | -56 | -53.6 | -175.4 | -174.8 | -38.1 | 0 | 0 | 0 | 111.9 | G22 D217 S219 V221 E238 Y278 | G22-N236 VanDerWaalsContact CA-O 3.29Å; G22-N236 WeakPolarHBondContact CA-O 3.47Å; G22-N236 PolarHBondContact N-O 2.85Å; D217-N236 HydrophobicContact CB-CB 4.3Å; S219-N236 PolarHBondContact O-N 3.28Å; V221-N236 HydrophobicContact CG1-CB 4.12Å; N236-E238 PolarHBondContact O-N 3.36Å; N236-E238 WeakPolarHBondContact OD1-CB 3.5Å; N236-E238 PolarHBondContact OD1-N 2.88Å; N236-Y278 WeakPolarHBondContact O-CE1 3.49Å | ||
| 237 | G | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | 75.2 | 7.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D217 Y235 T279 | D217-G237 WeakPolarHBondContact O-CA 3.28Å; D217-G237 PolarHBondContact O-N 3.4Å; Y235-G237 PolarHBondContact O-N 3.27Å; G237-T279 VanDerWaalsContact O-CA 3.28Å; G237-T279 WeakPolarHBondContact O-CA 3.31Å; G237-T279 VanDerWaalsContact O-CB 3.31Å; G237-T279 WeakPolarHBondContact O-CB 3.46Å; G237-T279 WeakPolarHBondContact O-CG2 3.1Å; G237-T279 PolarHBondContact O-OG1 3.23Å | ||
| 238 | E | 93 | Very high | 86 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | trans | -68.8 | 131.1 | 174 | 177.2 | -175.8 | -156.6 | 0 | 0 | 111 | L216 D217 N236 K246 T248 A249 Y278 T282 | L216-E238 CarbonylContact C-O 3.58Å; D217-E238 HydrophobicContact CB-CB 4.19Å; D217-E238 WeakPolarHBondContact CB-O 3.33Å; D217-E238 PolarHBondContact N-O 2.86Å; N236-E238 PolarHBondContact O-N 3.36Å; N236-E238 WeakPolarHBondContact OD1-CB 3.5Å; N236-E238 PolarHBondContact OD1-N 2.88Å; E238-K246 WeakPolarHBondContact OE2-CE 3.43Å; E238-K246 IonicContact OE2-NZ 3.62Å; E238-K246 PolarHBondContact OE2-NZ 3.22Å; E238-T248 WeakPolarHBondContact OE1-CA 3.31Å; E238-T248 VanDerWaalsContact OE1-CB 3.25Å; E238-T248 WeakPolarHBondContact OE1-CB 3.44Å; E238-T248 PolarHBondContact OE1-OG1 2.92Å; E238-A249 PolarHBondContact OE1-N 3.42Å; E238-Y278 HydrophobicContact CB-CE1 4.07Å; E238-T282 HydrophobicContact CG-CG2 4.3Å | ||
| 239 | V | 91.9 | Very high | 85.1 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.9 | 165.5 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | L210 Y215 L216 T279 T282 L283 S286 | L210-V239 HydrophobicContact CD1-CB 4.46Å; L210-V239 HydrophobicContact CD1-CG1 3.67Å; L210-V239 HydrophobicContact CD1-CG2 3.87Å; Y215-V239 CarbonylContact O-C 3.53Å; Y215-V239 VanDerWaalsContact O-CA 3.31Å; Y215-V239 WeakPolarHBondContact O-CA 3.3Å; L216-V239 HydrophobicContact CB-CG2 4.33Å; L216-V239 HydrophobicContact CD1-CG2 3.75Å; V239-T279 HydrophobicContact CG2-CG2 3.9Å; V239-T279 WeakPolarHBondContact CG2-O 3.02Å; V239-T282 PolarHBondContact N-OG1 3.35Å; V239-T282 CarbonylContact O-C 3.59Å; V239-T282 WeakPolarHBondContact O-CB 3.35Å; V239-L283 HydrophobicContact CB-CB 3.8Å; V239-L283 HydrophobicContact CG1-CB 3.78Å; V239-L283 HydrophobicContact CG1-CD1 3.75Å; V239-L283 HydrophobicContact CG1-CG 4.3Å; V239-L283 HydrophobicContact CG2-CB 4.19Å; V239-S286 PolarHBondContact O-OG 2.85Å; V239-S286 VanDerWaalsContact O-OG 3.07Å |
| 240 | Y | 91.5 | Very high | 84.2 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 159.6 | -177.5 | 66.9 | -89.5 | 0 | 0 | 0 | 111.9 | K207 Y214 Y215 D217 D242 K246 H247 | K207-Y240 WeakPolarHBondContact CD-OH 3.2Å; Y214-Y240 WeakPolarHBondContact CA-O 2.97Å; Y215-Y240 PolarHBondContact N-O 2.93Å; Y215-Y240 WeakPolarHBondContact O-CD1 3.14Å; Y215-Y240 PolarHBondContact O-N 3.42Å; D217-Y240 HydrophobicContact CB-CD1 4.37Å; D217-Y240 HydrophobicContact CB-CE1 4.03Å; Y240-D242 HydrophobicContact CD2-CB 4.38Å; Y240-D242 HydrophobicContact CE2-CB 3.96Å; Y240-K246 HydrophobicContact CD1-CD 4.45Å; Y240-K246 HydrophobicContact CD1-CG 4.45Å; Y240-K246 HydrophobicContact CD2-CB 4.39Å; Y240-K246 HydrophobicContact CD2-CD 4.45Å; Y240-K246 HydrophobicContact CD2-CG 3.67Å; Y240-K246 HydrophobicContact CE1-CD 4.3Å; Y240-K246 HydrophobicContact CE2-CB 4.24Å; Y240-K246 HydrophobicContact CE2-CD 4.28Å; Y240-K246 HydrophobicContact CE2-CG 3.75Å; Y240-K246 HydrophobicContact CG-CG 4.02Å; Y240-H247 WeakPolarHBondContact CB-O 3.5Å |
| 241 | M | 88.7 | Confident | 83.3 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.6 | 171 | -170.2 | -179.3 | 61.8 | 0 | 0 | 110.1 | N213 Y214 R243 H247 A290 | N213-M241 HydrophobicContact CB-CG 4.22Å; N213-M241 CarbonylContact O-C 3.42Å; N213-M241 VanDerWaalsContact O-CA 3.3Å; N213-M241 WeakPolarHBondContact O-CA 3.18Å; Y214-M241 HydrophobicContact CD1-CB 4.02Å; Y214-M241 HydrophobicContact CD1-CG 4.41Å; Y214-M241 HydrophobicContact CE1-CB 3.82Å; Y214-M241 HydrophobicContact CE1-CG 4.1Å; Y214-M241 HydrophobicContact CE1-SD 4.38Å; M241-R243 HydrophobicContact CE-CG 4Å; M241-R243 VanDerWaalsContact CE-NE 3.28Å; M241-R243 HydrophobicContact CG-CG 4.16Å; M241-R243 HydrophobicContact SD-CG 4.1Å; M241-R243 PolarHBondContact SD-NE 2.96Å; M241-R243 PolarHBondContact SD-NH2 3.48Å; M241-R243 VanDerWaalsContact SD-NH2 3.43Å; M241-H247 PolarHBondContact O-N 3.2Å; M241-A290 HydrophobicContact CE-CB 4.33Å; M241-A290 HydrophobicContact SD-CB 3.91Å |
| 242 | D | 85 | Confident | 82.8 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 107.8 | 177.1 | -166.3 | -13.2 | 0 | 0 | 0 | 108.7 | K207 N213 Y215 Y240 G244 | K207-D242 IonicContact NZ-OD2 3.2Å; K207-D242 PolarHBondContact NZ-OD2 2.85Å; N213-D242 PolarHBondContact O-N 3.28Å; Y215-D242 HydrophobicContact CD2-CB 3.52Å; Y215-D242 HydrophobicContact CE2-CB 3.53Å; Y240-D242 HydrophobicContact CD2-CB 4.38Å; Y240-D242 HydrophobicContact CE2-CB 3.96Å; D242-G244 PolarHBondContact OD1-N 3.37Å |
| 243 | R | 78.7 | Confident | 82.6 | Confident | 146 Ų | 146 | 48.1 Ų | 48.1 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -119.2 | 44.7 | 173.3 | -67.6 | -169.1 | -172.7 | 176.3 | 6.4 | 110.7 | M241 F245 | M241-R243 HydrophobicContact CE-CG 4Å; M241-R243 VanDerWaalsContact CE-NE 3.28Å; M241-R243 HydrophobicContact CG-CG 4.16Å; M241-R243 HydrophobicContact SD-CG 4.1Å; M241-R243 PolarHBondContact SD-NE 2.96Å; M241-R243 PolarHBondContact SD-NH2 3.48Å; M241-R243 VanDerWaalsContact SD-NH2 3.43Å; R243-F245 VanDerWaalsContact C-N 3.33Å |
| 244 | G | 74.8 | Confident | 82.3 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 63% | 0.629 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 95.8 | -19.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D242 | D242-G244 PolarHBondContact OD1-N 3.37Š|
| 245 | F | 69 | Low | 82 | Confident | 165 Ų | 165 | 56.6 Ų | 56.6 | 72% | 0.724 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -137.2 | 146 | 171.1 | -59.4 | -82.2 | 0 | 0 | 0 | 110.4 | R243 H247 | R243-F245 VanDerWaalsContact C-N 3.33Å; F245-H247 PolarHBondContact O-N 3.44Å; F245-H247 VanDerWaalsContact O-N 3.13Å |
| 246 | K | 71.7 | Confident | 81.8 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 104.8 | 175.6 | -178.2 | 176 | -177 | -173.5 | 0 | 109.2 | D217 E238 Y240 T248 | D217-K246 IonicContact OD2-NZ 3.07Å; D217-K246 PolarHBondContact OD2-NZ 3.2Å; E238-K246 WeakPolarHBondContact OE2-CE 3.43Å; E238-K246 IonicContact OE2-NZ 3.62Å; E238-K246 PolarHBondContact OE2-NZ 3.22Å; Y240-K246 HydrophobicContact CD1-CD 4.45Å; Y240-K246 HydrophobicContact CD1-CG 4.45Å; Y240-K246 HydrophobicContact CD2-CB 4.39Å; Y240-K246 HydrophobicContact CD2-CD 4.45Å; Y240-K246 HydrophobicContact CD2-CG 3.67Å; Y240-K246 HydrophobicContact CE1-CD 4.3Å; Y240-K246 HydrophobicContact CE2-CB 4.24Å; Y240-K246 HydrophobicContact CE2-CD 4.28Å; Y240-K246 HydrophobicContact CE2-CG 3.75Å; Y240-K246 HydrophobicContact CG-CG 4.02Å; K246-T248 PolarHBondContact O-N 2.92Å |
| 247 | H | 73 | Confident | 81.6 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 88.8 | 169.2 | -65.9 | -66.7 | 0 | 0 | 0 | 109.5 | Y240 M241 F245 | Y240-H247 WeakPolarHBondContact CB-O 3.5Å; M241-H247 PolarHBondContact O-N 3.2Å; F245-H247 PolarHBondContact O-N 3.44Å; F245-H247 VanDerWaalsContact O-N 3.13Å |
| 248 | T | 74.4 | Confident | 81.5 | Confident | 61 Ų | 61 | 61.2 Ų | 61.2 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | trans | -66.6 | 144.4 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | E238 K246 T250 | E238-T248 WeakPolarHBondContact OE1-CA 3.31Å; E238-T248 VanDerWaalsContact OE1-CB 3.25Å; E238-T248 WeakPolarHBondContact OE1-CB 3.44Å; E238-T248 PolarHBondContact OE1-OG1 2.92Å; K246-T248 PolarHBondContact O-N 2.92Å; T248-T250 WeakPolarHBondContact OG1-CB 3.4Å; T248-T250 VanDerWaalsContact OG1-CG2 3.31Å; T248-T250 WeakPolarHBondContact OG1-CG2 3.33Å; T248-T250 PolarHBondContact OG1-N 3.47Å; T248-T250 PolarHBondContact OG1-OG1 2.9Å | ||
| 249 | A | 71.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -97.1 | -7.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | E238 S251 A252 V253 T282 Y285 | E238-A249 PolarHBondContact OE1-N 3.42Å; A249-S251 PolarHBondContact O-N 3.46Å; A249-S251 VanDerWaalsContact O-N 3.12Å; A249-A252 PolarHBondContact O-N 3.26Å; A249-V253 PolarHBondContact O-N 2.86Å; A249-T282 HydrophobicContact CB-CG2 3.84Å; A249-Y285 HydrophobicContact CB-CD1 3.58Å; A249-Y285 HydrophobicContact CB-CE1 4.17Å; A249-Y285 HydrophobicContact CB-CG 4.43Å | ||
| 250 | T | 70.3 | Confident | 80.6 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 37% | 0.368 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.6 | -172.8 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | T248 A252 V253 Y278 | T248-T250 WeakPolarHBondContact OG1-CB 3.4Å; T248-T250 VanDerWaalsContact OG1-CG2 3.31Å; T248-T250 WeakPolarHBondContact OG1-CG2 3.33Å; T248-T250 PolarHBondContact OG1-N 3.47Å; T248-T250 PolarHBondContact OG1-OG1 2.9Å; T250-A252 VanDerWaalsContact C-N 3.31Å; T250-A252 PolarHBondContact O-N 3.49Å; T250-V253 VanDerWaalsContact O-O 3.13Å; T250-Y278 WeakPolarHBondContact CG2-OH 3.23Å |
| 251 | S | 72 | Confident | 80 | Confident | 113 Ų | 113 | 70 Ų | 70 | 79% | 0.79 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -21.7 | 178.5 | -37.6 | 0 | 0 | 0 | 0 | 113.3 | A249 | A249-S251 PolarHBondContact O-N 3.46Å; A249-S251 VanDerWaalsContact O-N 3.12Å |
| 252 | A | 80.9 | Confident | 79.4 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -24.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A249 T250 Y285 | A249-A252 PolarHBondContact O-N 3.26Å; T250-A252 VanDerWaalsContact C-N 3.31Å; T250-A252 PolarHBondContact O-N 3.49Å; A252-Y285 HydrophobicContact CB-CD1 4.43Å; A252-Y285 HydrophobicContact CB-CD2 3.95Å; A252-Y285 HydrophobicContact CB-CE1 3.93Å; A252-Y285 HydrophobicContact CB-CE2 3.43Å; A252-Y285 VanDerWaalsContact CB-CE2 3.43Å; A252-Y285 HydrophobicContact CB-CG 4.42Å |
| 253 | V | 88.1 | Confident | 78.7 | Confident | 23 Ų | 23 | 78.6 Ų | 78.6 | 14% | 0.139 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -127.3 | 124.5 | 178.4 | -172.6 | 0 | 0 | 0 | 0 | 107.2 | A249 T250 Y278 N281 T282 Y285 | A249-V253 PolarHBondContact O-N 2.86Å; T250-V253 VanDerWaalsContact O-O 3.13Å; V253-Y278 HydrophobicContact CB-CD2 4.5Å; V253-Y278 HydrophobicContact CB-CE2 4.41Å; V253-Y278 HydrophobicContact CG1-CD2 3.81Å; V253-Y278 HydrophobicContact CG1-CE2 4.2Å; V253-Y278 WeakPolarHBondContact O-CE2 3.47Å; V253-N281 HydrophobicContact CG1-CB 3.61Å; V253-T282 HydrophobicContact CB-CG2 3.94Å; V253-T282 HydrophobicContact CG1-CG2 4.07Å; V253-T282 HydrophobicContact CG2-CG2 4.42Å; V253-Y285 HydrophobicContact CG2-CG 4.25Å |
| 254 | Q | 86.7 | Confident | 77.9 | Confident | 173 Ų | 173 | 73.1 Ų | 73.1 | 81% | 0.808 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 141.8 | 176 | -66.4 | -178.1 | -6.1 | 0 | 0 | 109.9 | ||
| 255 | A | 86.6 | Confident | 77.1 | Confident | 26 Ų | 26 | 76.4 Ų | 76.4 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 126.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | E20 Y278 | E20-A255 HydrophobicContact CB-CB 4.01Å; E20-A255 HydrophobicContact CG-CB 4.44Å; E20-A255 WeakPolarHBondContact O-CB 3.17Å; A255-Y278 VanDerWaalsContact CA-CD2 3.43Å; A255-Y278 HydrophobicContact CB-CD1 4.03Å; A255-Y278 HydrophobicContact CB-CD2 3.69Å; A255-Y278 HydrophobicContact CB-CE1 4.33Å; A255-Y278 HydrophobicContact CB-CE2 4.03Å; A255-Y278 HydrophobicContact CB-CG 3.69Å |
| 256 | P | 87.4 | Confident | 76.5 | Confident | 34 Ų | 34 | 76.5 Ų | 76.5 | 22% | 0.221 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -77 | 158.4 | 174.3 | 35.2 | -35.8 | 0 | 0 | 0 | 110.1 | E20 L258 N277 | E20-P256 WeakPolarHBondContact CG-O 3.26Å; P256-L258 PolarHBondContact O-N 2.86Å; P256-N277 WeakPolarHBondContact CG-OD1 3.49Å |
| 257 | P | 87.4 | Confident | 76 | Confident | 104 Ų | 104 | 76 Ų | 76 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -48.9 | 126.7 | 170.2 | -27.4 | 35.7 | 0 | 0 | 0 | 111.5 | P259 | P257-P259 VanDerWaalsContact C-CD 3.45Å; P257-P259 WeakPolarHBondContact O-CD 3.13Å |
| 258 | L | 88.6 | Confident | 76.2 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.01 | 44% | 0.438 | C | S | . | . | trans | -114.2 | 78.2 | 178.9 | -173.5 | 55.6 | 0 | 0 | 0 | 109.5 | E20 R24 P256 L274 R470 | E20-L258 PolarHBondContact OE1-N 2.87Å; R24-L258 HydrophobicContact CB-CD2 4.37Å; R24-L258 VanDerWaalsContact CD-O 3.23Å; R24-L258 WeakPolarHBondContact CD-O 3.25Å; R24-L258 HydrophobicContact CG-CD2 4Å; R24-L258 HydrophobicContact CG-CG 4.33Å; R24-L258 PolarHBondContact NE-O 2.81Å; R24-L258 PolarHBondContact NH2-O 2.83Å; P256-L258 PolarHBondContact O-N 2.86Å; L258-L274 HydrophobicContact CD1-CB 4.37Å; L258-L274 HydrophobicContact CD2-CB 4.33Å; L258-R470 HydrophobicContact CD1-CB 3.82Å | ||
| 259 | P | 84.3 | Confident | 77 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 53% | 0.532 | 42% | 0.422 | S | S | . | . | trans | -65.9 | 145.5 | 179.5 | 27.4 | -33.7 | 0 | 0 | 0 | 110.6 | P257 R470 | P257-P259 VanDerWaalsContact C-CD 3.45Å; P257-P259 WeakPolarHBondContact O-CD 3.13Å; P259-R470 PolarHBondContact O-NH1 2.84Å | ||
| 260 | T | 82.9 | Confident | 77.9 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 15% | 0.153 | 43% | 0.43 | C | S | . | . | trans | -112.2 | 129.6 | 175.3 | -50.3 | 0 | 0 | 0 | 0 | 108.9 | R24 L26 E232 R262 L274 | R24-T260 WeakPolarHBondContact CD-OG1 3.49Å; L26-T260 HydrophobicContact CB-CG2 4.08Å; L26-T260 HydrophobicContact CD1-CG2 4.4Å; L26-T260 HydrophobicContact CD2-CG2 3.91Å; L26-T260 HydrophobicContact CG-CG2 4.36Å; E232-T260 WeakPolarHBondContact OE1-CB 3.15Å; E232-T260 PolarHBondContact OE1-OG1 2.9Å; T260-R262 PolarHBondContact O-N 3.36Å; T260-L274 HydrophobicContact CG2-CD1 4.47Å; T260-L274 HydrophobicContact CG2-CD2 4.46Å | ||
| 261 | D | 78.9 | Confident | 78.9 | Confident | 93 Ų | 93 | 71.5 Ų | 71.5 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | trans | -79 | 113 | 164.9 | -178.5 | 3.9 | 0 | 0 | 0 | 108.7 | L26 N263 | L26-D261 VanDerWaalsContact CD2-O 3.25Å; L26-D261 WeakPolarHBondContact CD2-O 3.42Å; D261-N263 VanDerWaalsContact C-N 3.32Å; D261-N263 PolarHBondContact OD1-N 3.25Å | ||
| 262 | R | 75 | Confident | 79.8 | Confident | 106 Ų | 106 | 66.6 Ų | 66.6 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -84.6 | -7.9 | -176.6 | -67 | 172.6 | 173.6 | 165.5 | 9.8 | 113 | Y230 E232 T260 P264 | Y230-R262 HydrophobicContact CD1-CB 4.32Å; Y230-R262 HydrophobicContact CD2-CG 4.41Å; Y230-R262 HydrophobicContact CE1-CB 4.37Å; Y230-R262 HydrophobicContact CE2-CG 4.27Å; Y230-R262 PolarHBondContact OH-NH1 3.25Å; E232-R262 IonicContact OE2-CZ 2.77Å; E232-R262 IonicContact OE2-NE 3.42Å; E232-R262 PolarHBondContact OE2-NE 2.91Å; E232-R262 IonicContact OE2-NH2 3.54Å; E232-R262 PolarHBondContact OE2-NH2 3.1Å; T260-R262 PolarHBondContact O-N 3.36Å; R262-P264 VanDerWaalsContact C-CD 3.48Å |
| 263 | N | 69.5 | Low | 80.3 | Confident | 124 Ų | 124 | 64.8 Ų | 64.8 | 66% | 0.663 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -132 | 66.8 | 174.8 | -165.8 | 13.9 | 0 | 0 | 0 | 110.2 | D261 V265 | D261-N263 VanDerWaalsContact C-N 3.32Å; D261-N263 PolarHBondContact OD1-N 3.25Å; N263-V265 WeakPolarHBondContact O-CG2 3.07Å; N263-V265 PolarHBondContact O-N 3.28Å |
| 264 | P | 62.7 | Low | 80.5 | Confident | 31 Ų | 31 | 64 Ų | 64 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | trans | -68.1 | 94.9 | -174.9 | 26.9 | -32 | 0 | 0 | 0 | 110.3 | T28 R262 Q266 H272 | T28-P264 HydrophobicContact CG2-CG 4.26Å; R262-P264 VanDerWaalsContact C-CD 3.48Å; P264-Q266 PolarHBondContact O-N 2.77Å; P264-H272 VanDerWaalsContact CG-NE2 3.32Å; P264-H272 WeakPolarHBondContact CG-NE2 3.38Å | ||
| 265 | V | 57.5 | Low | 80.7 | Confident | 131 Ų | 131 | 57.7 Ų | 57.7 | 79% | 0.794 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -30.4 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | N263 | N263-V265 WeakPolarHBondContact O-CG2 3.07Å; N263-V265 PolarHBondContact O-N 3.28Å |
| 266 | Q | 56.1 | Low | 81.1 | Confident | 166 Ų | 166 | 56.5 Ų | 56.5 | 78% | 0.776 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -28.8 | -168.5 | -66.8 | -175.7 | -5.6 | 0 | 0 | 114.1 | P264 | P264-Q266 PolarHBondContact O-N 2.77Š|
| 267 | H | 61.3 | Low | 81.3 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | trans | -143.9 | 105.4 | -174.4 | -71.1 | 75.9 | 0 | 0 | 0 | 110.4 | A269 H272 L463 | H267-A269 PolarHBondContact O-N 2.91Å; H267-H272 PolarHBondContact O-CE1 2.84Å; H267-L463 WeakPolarHBondContact CD2-CD2 3.45Å; H267-L463 WeakPolarHBondContact NE2-CD2 3.28Å | ||
| 268 | A | 78.1 | Confident | 81.7 | Confident | 89 Ų | 89 | 51.4 Ų | 51.4 | 74% | 0.736 | 28% | 0.281 | S | S | * | . | trans | -71.3 | 61.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q476 | A268-Q476 PolarHBondContact O-NE2 3.03Š| ||
| 269 | A | 90.2 | Very high | 81.9 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 5% | 0.05 | 28% | 0.283 | C | S | . | . | trans | -89.5 | 149.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T28 H267 V271 | T28-A269 VanDerWaalsContact CG2-O 3.24Å; T28-A269 WeakPolarHBondContact CG2-O 3.14Å; T28-A269 PolarHBondContact OG1-O 2.87Å; H267-A269 PolarHBondContact O-N 2.91Å; A269-V271 VanDerWaalsContact C-N 3.34Å | ||
| 270 | M | 92 | Very high | 82.2 | Confident | 32 Ų | 32 | 49 Ų | 49 | 16% | 0.158 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -70.2 | -33.6 | 172.7 | -76.5 | 173.6 | 177.8 | 0 | 0 | 112 | L27 T28 G31 E34 F475 Q476 L477 | L27-M270 WeakPolarHBondContact CA-O 3.47Å; T28-M270 PolarHBondContact N-O 3.01Å; T28-M270 WeakPolarHBondContact OG1-CA 3.14Å; T28-M270 PolarHBondContact OG1-O 3.02Å; G31-M270 VanDerWaalsContact CA-CB 3.49Å; E34-M270 HydrophobicContact CB-CE 3.74Å; E34-M270 HydrophobicContact CB-SD 3.81Å; E34-M270 HydrophobicContact CG-CE 4.03Å; E34-M270 HydrophobicContact CG-SD 3.95Å; M270-F475 PolarHBondContact N-O 3.02Å; M270-Q476 HydrophobicContact SD-CB 4.48Å; M270-L477 HydrophobicContact CB-CD1 4.45Å; M270-L477 HydrophobicContact CB-CG 4.25Å; M270-L477 HydrophobicContact SD-CB 3.88Å; M270-L477 HydrophobicContact SD-CG 4.49Å; M270-L477 PolarHBondContact SD-N 2.83Å; M270-L477 VanDerWaalsContact SD-N 3.35Å |
| 271 | V | 91.2 | Very high | 82.8 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 139.7 | -177.4 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | V25 L26 L27 A269 S474 F475 L477 | V25-V271 HydrophobicContact CG1-CG1 3.83Å; L26-V271 CarbonylContact O-C 3.58Å; L26-V271 VanDerWaalsContact O-CA 3.28Å; L26-V271 WeakPolarHBondContact O-CA 3.28Å; L27-V271 HydrophobicContact CD1-CG1 4.41Å; L27-V271 HydrophobicContact CD1-CG2 4.17Å; L27-V271 HydrophobicContact CG-CG2 4.15Å; A269-V271 VanDerWaalsContact C-N 3.34Å; V271-S474 CarbonylContact O-C 3.54Å; V271-S474 VanDerWaalsContact O-CA 3.3Å; V271-S474 WeakPolarHBondContact O-CA 2.98Å; V271-F475 HydrophobicContact CB-CD1 4.34Å; V271-F475 HydrophobicContact CB-CD2 4.02Å; V271-F475 HydrophobicContact CB-CE1 3.97Å; V271-F475 HydrophobicContact CB-CE2 3.62Å; V271-F475 HydrophobicContact CB-CG 4.38Å; V271-F475 HydrophobicContact CB-CZ 3.6Å; V271-F475 HydrophobicContact CG1-CD1 4.48Å; V271-F475 HydrophobicContact CG1-CE1 3.68Å; V271-F475 HydrophobicContact CG1-CE2 3.91Å; V271-F475 HydrophobicContact CG1-CZ 3.35Å; V271-F475 HydrophobicContact CG2-CD2 4.45Å; V271-F475 HydrophobicContact CG2-CE2 3.92Å; V271-F475 HydrophobicContact CG2-CZ 4.23Å; V271-F475 PolarHBondContact N-O 3.17Å; V271-F475 PolarHBondContact O-N 2.95Å; V271-L477 HydrophobicContact CG2-CD1 3.64Å; V271-L477 HydrophobicContact CG2-CD2 3.92Å; V271-L477 HydrophobicContact CG2-CG 3.74Å |
| 272 | H | 91.2 | Very high | 83.6 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.5 | 166.3 | -54.6 | -87.1 | 0 | 0 | 0 | 109.7 | V25 L26 P264 H267 L274 S474 | V25-H272 WeakPolarHBondContact CA-O 3.07Å; L26-H272 HydrophobicContact CB-CB 4.32Å; L26-H272 PolarHBondContact N-O 3.35Å; L26-H272 PolarHBondContact O-N 2.85Å; P264-H272 VanDerWaalsContact CG-NE2 3.32Å; P264-H272 WeakPolarHBondContact CG-NE2 3.38Å; H267-H272 PolarHBondContact O-CE1 2.84Å; H272-L274 HydrophobicContact CB-CD1 3.89Å; H272-S474 WeakPolarHBondContact ND1-CB 3.28Å; H272-S474 PolarHBondContact ND1-OG 3.29Å |
| 273 | L | 90.7 | Very high | 84.4 | Confident | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.4 | 169.3 | -175.5 | 160.7 | 0 | 0 | 0 | 108.2 | I23 V25 M275 I451 V472 V473 F475 | I23-L273 HydrophobicContact CG2-CD2 4.41Å; I23-L273 HydrophobicContact CG2-CG 4.41Å; V25-L273 HydrophobicContact CG2-CG 4.31Å; L273-M275 HydrophobicContact CD2-CB 4.34Å; L273-I451 HydrophobicContact CD1-CG2 3.94Å; L273-V472 CarbonylContact O-C 3.55Å; L273-V472 WeakPolarHBondContact O-CA 3.21Å; L273-V473 HydrophobicContact CB-CB 4.4Å; L273-V473 PolarHBondContact N-O 2.84Å; L273-V473 PolarHBondContact O-N 3.34Å; L273-F475 HydrophobicContact CB-CE1 4.32Å |
| 274 | L | 91.8 | Very high | 85.6 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.6 | 176.8 | -65.2 | 76.4 | 0 | 0 | 0 | 108.2 | I23 R24 L258 T260 H272 L471 V472 | I23-L274 CarbonylContact C-O 3.54Å; I23-L274 VanDerWaalsContact CA-O 3.24Å; I23-L274 WeakPolarHBondContact CA-O 3.26Å; I23-L274 WeakPolarHBondContact CG2-O 3.07Å; R24-L274 HydrophobicContact CB-CB 4.36Å; R24-L274 PolarHBondContact N-O 2.77Å; R24-L274 PolarHBondContact O-N 2.81Å; L258-L274 HydrophobicContact CD1-CB 4.37Å; L258-L274 HydrophobicContact CD2-CB 4.33Å; T260-L274 HydrophobicContact CG2-CD1 4.47Å; T260-L274 HydrophobicContact CG2-CD2 4.46Å; H272-L274 HydrophobicContact CB-CD1 3.89Å; L274-L471 CarbonylContact C-O 3.47Å; L274-L471 WeakPolarHBondContact CA-O 3.46Å; L274-V472 HydrophobicContact CG-CG1 4.4Å; L274-V472 HydrophobicContact CG-CG2 4.27Å |
| 275 | M | 92.1 | Very high | 87.1 | Confident | 40 Ų | 40 | 35.2 Ų | 35.2 | 20% | 0.197 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 119.8 | 175 | 179.1 | 179.8 | 74 | 0 | 0 | 108.5 | G22 I23 L273 T279 F351 R470 L471 | G22-M275 WeakPolarHBondContact O-CA 3.43Å; I23-M275 HydrophobicContact CG1-CB 4.34Å; I23-M275 HydrophobicContact CG1-CG 4.12Å; L273-M275 HydrophobicContact CD2-CB 4.34Å; M275-T279 HydrophobicContact CG-CG2 4Å; M275-T279 HydrophobicContact SD-CG2 3.58Å; M275-T279 VanDerWaalsContact SD-CG2 3.58Å; M275-F351 HydrophobicContact CE-CE2 4.48Å; M275-F351 HydrophobicContact CE-CZ 4.4Å; M275-R470 CarbonylContact O-C 3.56Å; M275-R470 VanDerWaalsContact O-CA 3.29Å; M275-R470 WeakPolarHBondContact O-CA 3.08Å; M275-L471 HydrophobicContact CE-CB 4.13Å; M275-L471 HydrophobicContact CE-CD2 3.6Å; M275-L471 PolarHBondContact N-O 2.93Å; M275-L471 PolarHBondContact O-N 2.89Å |
| 276 | S | 93.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 165.3 | 177.2 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | G22 Y278 T279 D469 | G22-S276 WeakPolarHBondContact CA-OG 2.96Å; G22-S276 PolarHBondContact O-N 2.95Å; G22-S276 PolarHBondContact O-OG 3.48Å; S276-Y278 PolarHBondContact O-N 2.04Å; S276-Y278 VanDerWaalsContact O-N 3.07Å; S276-Y278 VanDerWaalsContact OG-CB 3.32Å; S276-Y278 WeakPolarHBondContact OG-CB 3.23Å; S276-T279 PolarHBondContact O-N 3.39Å; S276-D469 CarbonylContact C-O 3.6Å; S276-D469 WeakPolarHBondContact CA-O 3.22Å |
| 277 | N | 93.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 23.4 Ų | 23.4 | 11% | 0.112 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.8 | -20.1 | 172.6 | 66.3 | 17.7 | 0 | 0 | 0 | 113 | P256 T279 L280 N281 F351 D469 | P256-N277 WeakPolarHBondContact CG-OD1 3.49Å; N277-T279 VanDerWaalsContact C-N 3.33Å; N277-T279 PolarHBondContact O-N 2.77Å; N277-L280 PolarHBondContact O-N 2.98Å; N277-N281 WeakPolarHBondContact O-CB 3.41Å; N277-N281 PolarHBondContact O-N 2.99Å; N277-N281 PolarHBondContact O-ND2 3.12Å; N277-N281 VanDerWaalsContact O-ND2 3.08Å; N277-F351 HydrophobicContact CB-CD1 3.76Å; N277-F351 HydrophobicContact CB-CE1 3.84Å; N277-F351 HydrophobicContact CB-CG 4.24Å; N277-F351 HydrophobicContact CB-CZ 4.37Å; N277-D469 PolarHBondContact N-O 3.33Å; N277-D469 PolarHBondContact ND2-OD1 3.44Å; N277-D469 VanDerWaalsContact ND2-OD1 3.09Å |
| 278 | Y | 94.4 | Very high | 92 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.6 | -44.6 | 175.8 | 174.2 | -106.4 | 0 | 0 | 0 | 112.8 | N236 E238 T250 V253 A255 S276 L280 N281 T282 | N236-Y278 WeakPolarHBondContact O-CE1 3.49Å; E238-Y278 HydrophobicContact CB-CE1 4.07Å; T250-Y278 WeakPolarHBondContact CG2-OH 3.23Å; V253-Y278 HydrophobicContact CB-CD2 4.5Å; V253-Y278 HydrophobicContact CB-CE2 4.41Å; V253-Y278 HydrophobicContact CG1-CD2 3.81Å; V253-Y278 HydrophobicContact CG1-CE2 4.2Å; V253-Y278 WeakPolarHBondContact O-CE2 3.47Å; A255-Y278 VanDerWaalsContact CA-CD2 3.43Å; A255-Y278 HydrophobicContact CB-CD1 4.03Å; A255-Y278 HydrophobicContact CB-CD2 3.69Å; A255-Y278 HydrophobicContact CB-CE1 4.33Å; A255-Y278 HydrophobicContact CB-CE2 4.03Å; A255-Y278 HydrophobicContact CB-CG 3.69Å; S276-Y278 PolarHBondContact O-N 2.04Å; S276-Y278 VanDerWaalsContact O-N 3.07Å; S276-Y278 VanDerWaalsContact OG-CB 3.32Å; S276-Y278 WeakPolarHBondContact OG-CB 3.23Å; Y278-L280 VanDerWaalsContact C-N 3.32Å; Y278-L280 PolarHBondContact O-N 3.43Å; Y278-N281 PolarHBondContact O-N 3.48Å; Y278-T282 HydrophobicContact CD1-CG2 4.42Å; Y278-T282 HydrophobicContact CD2-CG2 3.85Å; Y278-T282 HydrophobicContact CE1-CG2 4.1Å; Y278-T282 HydrophobicContact CE2-CG2 3.45Å; Y278-T282 VanDerWaalsContact CE2-CG2 3.45Å; Y278-T282 HydrophobicContact CG-CG2 4.32Å; Y278-T282 WeakPolarHBondContact O-CB 3.21Å; Y278-T282 WeakPolarHBondContact O-CG2 3.27Å; Y278-T282 PolarHBondContact O-N 2.82Å; Y278-T282 PolarHBondContact O-OG1 3.21Å |
| 279 | T | 92.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | -179.1 | -63 | 0 | 0 | 0 | 0 | 111.6 | L216 G237 V239 M275 S276 N277 T282 L283 | L216-T279 HydrophobicContact CD1-CG2 3.8Å; G237-T279 VanDerWaalsContact O-CA 3.28Å; G237-T279 WeakPolarHBondContact O-CA 3.31Å; G237-T279 VanDerWaalsContact O-CB 3.31Å; G237-T279 WeakPolarHBondContact O-CB 3.46Å; G237-T279 WeakPolarHBondContact O-CG2 3.1Å; G237-T279 PolarHBondContact O-OG1 3.23Å; V239-T279 HydrophobicContact CG2-CG2 3.9Å; V239-T279 WeakPolarHBondContact CG2-O 3.02Å; M275-T279 HydrophobicContact CG-CG2 4Å; M275-T279 HydrophobicContact SD-CG2 3.58Å; M275-T279 VanDerWaalsContact SD-CG2 3.58Å; S276-T279 PolarHBondContact O-N 3.39Å; N277-T279 VanDerWaalsContact C-N 3.33Å; N277-T279 PolarHBondContact O-N 2.77Å; T279-T282 PolarHBondContact O-OG1 3.2Å; T279-T282 VanDerWaalsContact O-OG1 3.05Å; T279-L283 PolarHBondContact O-N 2.89Å |
| 280 | L | 92.3 | Very high | 92.6 | Very high | 26 Ų | 26 | 27.3 Ų | 27.3 | 14% | 0.136 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -74.6 | -39.4 | 176.2 | -174.2 | 54.4 | 0 | 0 | 0 | 111.7 | N277 Y278 T282 L283 L284 A349 F351 I356 | N277-L280 PolarHBondContact O-N 2.98Å; Y278-L280 VanDerWaalsContact C-N 3.32Å; Y278-L280 PolarHBondContact O-N 3.43Å; L280-T282 PolarHBondContact O-N 3.02Å; L280-L283 HydrophobicContact CD1-CD2 4.11Å; L280-L283 WeakPolarHBondContact O-CB 3.34Å; L280-L283 PolarHBondContact O-N 3.12Å; L280-L284 HydrophobicContact CD1-CG 4.32Å; L280-L284 HydrophobicContact CG-CD1 4.14Å; L280-L284 HydrophobicContact CG-CG 4.36Å; L280-L284 VanDerWaalsContact O-CG 3.28Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 3.05Å; L280-A349 HydrophobicContact CB-CB 4.26Å; L280-A349 HydrophobicContact CD2-CB 3.57Å; L280-A349 HydrophobicContact CG-CB 3.77Å; L280-F351 HydrophobicContact CB-CE1 4.1Å; L280-F351 HydrophobicContact CB-CZ 4.17Å; L280-F351 HydrophobicContact CD2-CE1 3.9Å; L280-F351 HydrophobicContact CD2-CZ 4.36Å; L280-I356 HydrophobicContact CD2-CG2 3.64Å |
| 281 | N | 95.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 9% | 0.086 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 179 | -79.9 | -45.6 | 0 | 0 | 0 | 112.9 | V253 N277 Y278 L284 Y285 T348 A349 | V253-N281 HydrophobicContact CG1-CB 3.61Å; N277-N281 WeakPolarHBondContact O-CB 3.41Å; N277-N281 PolarHBondContact O-N 2.99Å; N277-N281 PolarHBondContact O-ND2 3.12Å; N277-N281 VanDerWaalsContact O-ND2 3.08Å; Y278-N281 PolarHBondContact O-N 3.48Å; N281-L284 PolarHBondContact O-N 2.92Å; N281-Y285 WeakPolarHBondContact O-CB 3.45Å; N281-Y285 PolarHBondContact O-N 2.91Å; N281-T348 WeakPolarHBondContact OD1-CA 3.41Å; N281-A349 PolarHBondContact ND2-O 2.95Å; N281-A349 PolarHBondContact OD1-N 3.14Å |
| 282 | T | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.7 | -36.4 | 174.3 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | E238 V239 A249 V253 Y278 T279 L280 S286 | E238-T282 HydrophobicContact CG-CG2 4.3Å; V239-T282 PolarHBondContact N-OG1 3.35Å; V239-T282 CarbonylContact O-C 3.59Å; V239-T282 WeakPolarHBondContact O-CB 3.35Å; A249-T282 HydrophobicContact CB-CG2 3.84Å; V253-T282 HydrophobicContact CB-CG2 3.94Å; V253-T282 HydrophobicContact CG1-CG2 4.07Å; V253-T282 HydrophobicContact CG2-CG2 4.42Å; Y278-T282 HydrophobicContact CD1-CG2 4.42Å; Y278-T282 HydrophobicContact CD2-CG2 3.85Å; Y278-T282 HydrophobicContact CE1-CG2 4.1Å; Y278-T282 HydrophobicContact CE2-CG2 3.45Å; Y278-T282 VanDerWaalsContact CE2-CG2 3.45Å; Y278-T282 HydrophobicContact CG-CG2 4.32Å; Y278-T282 WeakPolarHBondContact O-CB 3.21Å; Y278-T282 WeakPolarHBondContact O-CG2 3.27Å; Y278-T282 PolarHBondContact O-N 2.82Å; Y278-T282 PolarHBondContact O-OG1 3.21Å; T279-T282 PolarHBondContact O-OG1 3.2Å; T279-T282 VanDerWaalsContact O-OG1 3.05Å; L280-T282 PolarHBondContact O-N 3.02Å; T282-S286 WeakPolarHBondContact O-CB 3.44Å; T282-S286 PolarHBondContact O-N 2.79Å; T282-S286 PolarHBondContact O-OG 2.85Å |
| 283 | L | 92.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -50.8 | 170.8 | 170.8 | 59.9 | 0 | 0 | 0 | 111.3 | Y214 V239 T279 L280 Y285 S286 L287 M449 | Y214-L283 HydrophobicContact CD1-CD1 4.3Å; V239-L283 HydrophobicContact CB-CB 3.8Å; V239-L283 HydrophobicContact CG1-CB 3.78Å; V239-L283 HydrophobicContact CG1-CD1 3.75Å; V239-L283 HydrophobicContact CG1-CG 4.3Å; V239-L283 HydrophobicContact CG2-CB 4.19Å; T279-L283 PolarHBondContact O-N 2.89Å; L280-L283 HydrophobicContact CD1-CD2 4.11Å; L280-L283 WeakPolarHBondContact O-CB 3.34Å; L280-L283 PolarHBondContact O-N 3.12Å; L283-Y285 VanDerWaalsContact C-N 3.31Å; L283-Y285 PolarHBondContact O-N 2.79Å; L283-S286 PolarHBondContact O-N 2.76Å; L283-L287 HydrophobicContact CD1-CD1 3.8Å; L283-L287 HydrophobicContact CD1-CG 3.97Å; L283-L287 HydrophobicContact CG-CD1 3.94Å; L283-L287 WeakPolarHBondContact O-CG 3.04Å; L283-L287 PolarHBondContact O-N 2.95Å; L283-M449 HydrophobicContact CD2-CE 3.48Å; L283-M449 VanDerWaalsContact CD2-CE 3.48Å; L283-M449 HydrophobicContact CD2-SD 4.04Å |
| 284 | L | 93.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 179.7 | -68.2 | 173.7 | 0 | 0 | 0 | 111.4 | L280 N281 L287 Y288 F293 P347 A349 I358 | L280-L284 HydrophobicContact CD1-CG 4.32Å; L280-L284 HydrophobicContact CG-CD1 4.14Å; L280-L284 HydrophobicContact CG-CG 4.36Å; L280-L284 VanDerWaalsContact O-CG 3.28Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 3.05Å; N281-L284 PolarHBondContact O-N 2.92Å; L284-L287 PolarHBondContact O-N 2.73Å; L284-Y288 WeakPolarHBondContact O-CB 3.44Å; L284-Y288 PolarHBondContact O-N 2.87Å; L284-F293 HydrophobicContact CD2-CE1 4.44Å; L284-F293 HydrophobicContact CD2-CZ 3.71Å; L284-F293 WeakPolarHBondContact O-CE2 3.47Å; L284-P347 HydrophobicContact CB-CB 4.37Å; L284-P347 HydrophobicContact CD1-CB 4.24Å; L284-P347 HydrophobicContact CD2-CB 4.47Å; L284-A349 HydrophobicContact CD1-CB 3.72Å; L284-I358 HydrophobicContact CD1-CG2 4.05Å |
| 285 | Y | 94.9 | Very high | 92.5 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.3 | 179 | -97.7 | 0 | 0 | 0 | 111.9 | A249 A252 V253 N281 L283 L287 Y288 R289 A346 | A249-Y285 HydrophobicContact CB-CD1 3.58Å; A249-Y285 HydrophobicContact CB-CE1 4.17Å; A249-Y285 HydrophobicContact CB-CG 4.43Å; A252-Y285 HydrophobicContact CB-CD1 4.43Å; A252-Y285 HydrophobicContact CB-CD2 3.95Å; A252-Y285 HydrophobicContact CB-CE1 3.93Å; A252-Y285 HydrophobicContact CB-CE2 3.43Å; A252-Y285 VanDerWaalsContact CB-CE2 3.43Å; A252-Y285 HydrophobicContact CB-CG 4.42Å; V253-Y285 HydrophobicContact CG2-CG 4.25Å; N281-Y285 WeakPolarHBondContact O-CB 3.45Å; N281-Y285 PolarHBondContact O-N 2.91Å; L283-Y285 VanDerWaalsContact C-N 3.31Å; L283-Y285 PolarHBondContact O-N 2.79Å; Y285-L287 VanDerWaalsContact C-N 3.35Å; Y285-L287 PolarHBondContact O-N 2.88Å; Y285-Y288 WeakPolarHBondContact O-CB 3.4Å; Y285-Y288 PolarHBondContact O-N 2.88Å; Y285-R289 HydrophobicContact CD1-CG 4.18Å; Y285-R289 HydrophobicContact CE1-CG 3.73Å; Y285-R289 HydrophobicContact CE2-CG 4.13Å; Y285-R289 WeakPolarHBondContact O-CG 3.34Å; Y285-R289 PolarHBondContact O-N 2.79Å; Y285-R289 PolarHBondContact OH-NH1 2.77Å; Y285-A346 HydrophobicContact CD2-CB 3.84Å |
| 286 | S | 92.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 178.1 | -65.5 | 0 | 0 | 0 | 0 | 112 | V239 T282 L283 R289 A290 | V239-S286 PolarHBondContact O-OG 2.85Å; V239-S286 VanDerWaalsContact O-OG 3.07Å; T282-S286 WeakPolarHBondContact O-CB 3.44Å; T282-S286 PolarHBondContact O-N 2.79Å; T282-S286 PolarHBondContact O-OG 2.85Å; L283-S286 PolarHBondContact O-N 2.76Å; S286-R289 PolarHBondContact O-N 3.43Å; S286-A290 WeakPolarHBondContact O-CB 3.41Å; S286-A290 PolarHBondContact O-N 2.88Å; S286-A290 VanDerWaalsContact O-N 3.1Å |
| 287 | L | 91.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 174.8 | -73.2 | 169 | 0 | 0 | 0 | 112 | Y214 L283 L284 Y285 A290 G291 K292 F293 | Y214-L287 HydrophobicContact CE1-CD2 4.02Å; Y214-L287 HydrophobicContact CE1-CG 4.25Å; Y214-L287 HydrophobicContact CE2-CD2 4.09Å; L283-L287 HydrophobicContact CD1-CD1 3.8Å; L283-L287 HydrophobicContact CD1-CG 3.97Å; L283-L287 HydrophobicContact CG-CD1 3.94Å; L283-L287 WeakPolarHBondContact O-CG 3.04Å; L283-L287 PolarHBondContact O-N 2.95Å; L284-L287 PolarHBondContact O-N 2.73Å; Y285-L287 VanDerWaalsContact C-N 3.35Å; Y285-L287 PolarHBondContact O-N 2.88Å; L287-A290 CarbonylContact O-C 3.59Å; L287-A290 PolarHBondContact O-N 2.89Å; L287-G291 PolarHBondContact O-N 3.16Å; L287-K292 HydrophobicContact CB-CB 4.22Å; L287-K292 HydrophobicContact CD2-CB 4.01Å; L287-K292 HydrophobicContact CD2-CG 3.96Å; L287-K292 WeakPolarHBondContact O-CB 3.33Å; L287-K292 PolarHBondContact O-N 3.35Å; L287-F293 HydrophobicContact CB-CD2 4.35Å; L287-F293 HydrophobicContact CB-CE2 3.53Å; L287-F293 HydrophobicContact CB-CZ 3.99Å; L287-F293 HydrophobicContact CD1-CZ 4.24Å |
| 288 | Y | 93.3 | Very high | 92.2 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 26% | 0.255 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 175.9 | 167.4 | -103.8 | 0 | 0 | 0 | 112.3 | L284 Y285 A290 G291 Q343 N344 A346 | L284-Y288 WeakPolarHBondContact O-CB 3.44Å; L284-Y288 PolarHBondContact O-N 2.87Å; Y285-Y288 WeakPolarHBondContact O-CB 3.4Å; Y285-Y288 PolarHBondContact O-N 2.88Å; Y288-A290 PolarHBondContact O-N 2.91Å; Y288-G291 PolarHBondContact O-N 3.07Å; Y288-Q343 HydrophobicContact CD2-CB 4.03Å; Y288-Q343 HydrophobicContact CD2-CG 3.77Å; Y288-Q343 HydrophobicContact CE2-CB 4.04Å; Y288-Q343 HydrophobicContact CE2-CG 3.9Å; Y288-N344 PolarHBondContact OH-O 3.49Å; Y288-N344 VanDerWaalsContact OH-O 3.12Å; Y288-A346 HydrophobicContact CD1-CB 3.7Å; Y288-A346 HydrophobicContact CE1-CB 4.29Å; Y288-A346 HydrophobicContact CG-CB 3.92Å |
| 289 | R | 91.3 | Very high | 91.8 | Very high | 171 Ų | 171 | 44.7 Ų | 44.7 | 65% | 0.645 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.2 | -30.6 | 176 | -69.7 | -63.5 | -61.2 | -108.9 | 0.3 | 112.6 | Y285 S286 G291 | Y285-R289 HydrophobicContact CD1-CG 4.18Å; Y285-R289 HydrophobicContact CE1-CG 3.73Å; Y285-R289 HydrophobicContact CE2-CG 4.13Å; Y285-R289 WeakPolarHBondContact O-CG 3.34Å; Y285-R289 PolarHBondContact O-N 2.79Å; Y285-R289 PolarHBondContact OH-NH1 2.77Å; S286-R289 PolarHBondContact O-N 3.43Å; R289-G291 VanDerWaalsContact C-N 3.25Å; R289-G291 PolarHBondContact O-N 3.17Å |
| 290 | A | 89.3 | Confident | 91.4 | Very high | 24 Ų | 24 | 52 Ų | 52 | 20% | 0.198 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 2.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y214 M241 S286 L287 Y288 K292 | Y214-A290 VanDerWaalsContact OH-CB 3.25Å; Y214-A290 WeakPolarHBondContact OH-CB 3.39Å; M241-A290 HydrophobicContact CE-CB 4.33Å; M241-A290 HydrophobicContact SD-CB 3.91Å; S286-A290 WeakPolarHBondContact O-CB 3.41Å; S286-A290 PolarHBondContact O-N 2.88Å; S286-A290 VanDerWaalsContact O-N 3.1Å; L287-A290 CarbonylContact O-C 3.59Å; L287-A290 PolarHBondContact O-N 2.89Å; Y288-A290 PolarHBondContact O-N 2.91Å; A290-K292 VanDerWaalsContact C-N 3.26Å; A290-K292 HydrophobicContact CB-CG 4.02Å; A290-K292 PolarHBondContact O-N 2.85Å |
| 291 | G | 90.6 | Very high | 91.1 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 14.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L287 Y288 R289 F293 N294 | L287-G291 PolarHBondContact O-N 3.16Å; Y288-G291 PolarHBondContact O-N 3.07Å; R289-G291 VanDerWaalsContact C-N 3.25Å; R289-G291 PolarHBondContact O-N 3.17Å; G291-F293 PolarHBondContact O-N 3.05Å; G291-N294 WeakPolarHBondContact O-CB 3.48Å; G291-N294 PolarHBondContact O-N 3.34Å; G291-N294 VanDerWaalsContact O-N 3.1Å |
| 292 | K | 90 | Very high | 90.6 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 58% | 0.583 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -9.9 | -172.8 | -65 | -64.8 | -172.8 | 179.3 | 0 | 114.7 | L287 A290 | L287-K292 HydrophobicContact CB-CB 4.22Å; L287-K292 HydrophobicContact CD2-CB 4.01Å; L287-K292 HydrophobicContact CD2-CG 3.96Å; L287-K292 WeakPolarHBondContact O-CB 3.33Å; L287-K292 PolarHBondContact O-N 3.35Å; A290-K292 VanDerWaalsContact C-N 3.26Å; A290-K292 HydrophobicContact CB-CG 4.02Å; A290-K292 PolarHBondContact O-N 2.85Å |
| 293 | F | 90.9 | Very high | 90.1 | Very high | 59 Ų | 59 | 58.1 Ų | 58.1 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -5.9 | 172.2 | -64.5 | -74.9 | 0 | 0 | 0 | 113.6 | L284 L287 G291 Q343 P347 | L284-F293 HydrophobicContact CD2-CE1 4.44Å; L284-F293 HydrophobicContact CD2-CZ 3.71Å; L284-F293 WeakPolarHBondContact O-CE2 3.47Å; L287-F293 HydrophobicContact CB-CD2 4.35Å; L287-F293 HydrophobicContact CB-CE2 3.53Å; L287-F293 HydrophobicContact CB-CZ 3.99Å; L287-F293 HydrophobicContact CD1-CZ 4.24Å; G291-F293 PolarHBondContact O-N 3.05Å; F293-Q343 HydrophobicContact CB-CB 3.89Å; F293-Q343 HydrophobicContact CB-CG 4.33Å; F293-P347 HydrophobicContact CD1-CG 4.21Å; F293-P347 HydrophobicContact CD2-CG 3.97Å; F293-P347 HydrophobicContact CE1-CG 3.99Å; F293-P347 HydrophobicContact CE2-CG 3.74Å; F293-P347 HydrophobicContact CG-CG 4.22Å; F293-P347 HydrophobicContact CZ-CG 3.77Å |
| 294 | N | 92 | Very high | 89.8 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | trans | -76.8 | 129 | 174.4 | -61.8 | -20.7 | 0 | 0 | 0 | 108.6 | G291 I341 Q343 | G291-N294 WeakPolarHBondContact O-CB 3.48Å; G291-N294 PolarHBondContact O-N 3.34Å; G291-N294 VanDerWaalsContact O-N 3.1Å; N294-I341 WeakPolarHBondContact CA-O 3.17Å; N294-Q343 PolarHBondContact OD1-N 3.17Å | ||
| 295 | M | 91.4 | Very high | 89.1 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 33% | 0.325 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.3 | -177.9 | -177 | 173.8 | -78.6 | 0 | 0 | 109.3 | V297 I341 V437 | M295-V297 HydrophobicContact CG-CG2 4.08Å; M295-V297 HydrophobicContact SD-CG2 4.19Å; M295-I341 HydrophobicContact CB-CB 4.31Å; M295-I341 PolarHBondContact N-O 3.39Å; M295-I341 PolarHBondContact O-N 2.89Å; M295-V437 HydrophobicContact CE-CG2 3.76Å; M295-V437 HydrophobicContact SD-CG2 3.92Å |
| 296 | A | 91.8 | Very high | 88.6 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.8 | 167 | 0 | 0 | 0 | 0 | 0 | 107.4 | T301 M339 | A296-T301 HydrophobicContact CB-CG2 4.42Å; A296-T301 WeakPolarHBondContact O-CB 3.34Å; A296-T301 PolarHBondContact O-OG1 3.22Å; A296-M339 CarbonylContact C-O 3.59Å; A296-M339 WeakPolarHBondContact CA-O 3.44Å |
| 297 | V | 90.8 | Very high | 88.2 | Confident | 17 Ų | 17 | 69 Ų | 69 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 100.3 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 106.8 | M295 T302 F306 L310 M339 L436 | M295-V297 HydrophobicContact CG-CG2 4.08Å; M295-V297 HydrophobicContact SD-CG2 4.19Å; V297-T302 HydrophobicContact CG1-CG2 4.12Å; V297-T302 WeakPolarHBondContact CG1-OG1 3.47Å; V297-F306 HydrophobicContact CG1-CE1 4.35Å; V297-L310 HydrophobicContact CG1-CD2 4.04Å; V297-M339 HydrophobicContact CB-CB 4.23Å; V297-M339 PolarHBondContact N-O 2.92Å; V297-M339 PolarHBondContact O-N 2.91Å; V297-L436 HydrophobicContact CG1-CD1 3.82Å; V297-L436 HydrophobicContact CG2-CD1 4.17Å |
| 298 | N | 90.4 | Very high | 88 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 10% | 0.096 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -147.7 | 178.6 | 176.4 | 63 | 45 | 0 | 0 | 0 | 109.8 | K300 T301 T302 D338 | N298-K300 PolarHBondContact O-N 2.93Å; N298-K300 WeakPolarHBondContact OD1-CB 3.48Å; N298-K300 PolarHBondContact OD1-N 3.49Å; N298-T301 PolarHBondContact N-OG1 3Å; N298-T301 PolarHBondContact O-N 3.31Å; N298-T301 PolarHBondContact OD1-N 2.87Å; N298-T301 PolarHBondContact OD1-OG1 2.83Å; N298-T302 PolarHBondContact N-OG1 2.82Å; N298-T302 WeakPolarHBondContact O-CB 3.3Å; N298-T302 PolarHBondContact O-N 3.44Å; N298-T302 VanDerWaalsContact O-N 3.16Å; N298-T302 PolarHBondContact O-OG1 3.04Å; N298-D338 HydrophobicContact CB-CB 4.11Å; N298-D338 WeakPolarHBondContact CB-OD2 3.29Å; N298-D338 PolarHBondContact ND2-OD2 3.14Å |
| 299 | H | 85.5 | Confident | 87.8 | Confident | 65 Ų | 65 | 70.5 Ų | 70.5 | 30% | 0.301 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17 | -177 | 68.4 | -108.5 | 0 | 0 | 0 | 115.1 | V307 R369 | H299-V307 HydrophobicContact CB-CG1 4.13Å; H299-R369 PolarHBondContact CE1-NH2 2.88Å; H299-R369 PolarHBondContact ND1-NH2 3.31Å |
| 300 | K | 85.4 | Confident | 87.8 | Confident | 158 Ų | 158 | 62.7 Ų | 62.7 | 69% | 0.687 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -31.1 | -179 | -59.3 | -170.6 | 174.6 | -177.7 | 0 | 113 | N298 | N298-K300 PolarHBondContact O-N 2.93Å; N298-K300 WeakPolarHBondContact OD1-CB 3.48Å; N298-K300 PolarHBondContact OD1-N 3.49Å |
| 301 | T | 85.6 | Confident | 87.9 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -13.2 | -171.2 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | A296 N298 | A296-T301 HydrophobicContact CB-CG2 4.42Å; A296-T301 WeakPolarHBondContact O-CB 3.34Å; A296-T301 PolarHBondContact O-OG1 3.22Å; N298-T301 PolarHBondContact N-OG1 3Å; N298-T301 PolarHBondContact O-N 3.31Å; N298-T301 PolarHBondContact OD1-N 2.87Å; N298-T301 PolarHBondContact OD1-OG1 2.83Å |
| 302 | T | 84.6 | Confident | 88 | Confident | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.08 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -101.9 | 145.4 | -173.5 | -39.2 | 0 | 0 | 0 | 0 | 110.2 | V297 N298 F306 L436 | V297-T302 HydrophobicContact CG1-CG2 4.12Å; V297-T302 WeakPolarHBondContact CG1-OG1 3.47Å; N298-T302 PolarHBondContact N-OG1 2.82Å; N298-T302 WeakPolarHBondContact O-CB 3.3Å; N298-T302 PolarHBondContact O-N 3.44Å; N298-T302 VanDerWaalsContact O-N 3.16Å; N298-T302 PolarHBondContact O-OG1 3.04Å; T302-F306 HydrophobicContact CG2-CB 3.74Å; T302-F306 HydrophobicContact CG2-CD1 3.49Å; T302-F306 VanDerWaalsContact CG2-CD1 3.49Å; T302-F306 HydrophobicContact CG2-CE1 4.38Å; T302-F306 HydrophobicContact CG2-CG 3.89Å; T302-L436 HydrophobicContact CG2-CD1 3.96Å; T302-L436 HydrophobicContact CG2-CD2 3.65Å; T302-L436 HydrophobicContact CG2-CG 4.49Å |
| 303 | P | 85.4 | Confident | 87.9 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 49% | 0.494 | 33% | 0.325 | S | S | . | . | trans | -55 | 147.2 | 176.9 | -26.9 | 35 | 0 | 0 | 0 | 112.9 | S305 F306 V307 | P303-S305 PolarHBondContact O-N 3.42Å; P303-S305 VanDerWaalsContact O-N 3.1Å; P303-F306 PolarHBondContact O-N 3.01Å; P303-V307 PolarHBondContact O-N 3.4Å | ||
| 304 | D | 84.2 | Confident | 87.5 | Confident | 146 Ų | 146 | 58.8 Ų | 58.8 | 78% | 0.781 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -53.2 | -35.9 | -177.4 | -65.4 | -28.3 | 0 | 0 | 0 | 113.1 | F306 V307 | D304-F306 PolarHBondContact O-N 3.5Å; D304-F306 VanDerWaalsContact O-N 3.09Å; D304-V307 PolarHBondContact O-N 2.88Å |
| 305 | S | 80.7 | Confident | 87 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 75% | 0.748 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.7 | -18.4 | 176.6 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | P303 | P303-S305 PolarHBondContact O-N 3.42Å; P303-S305 VanDerWaalsContact O-N 3.1Å |
| 306 | F | 83.3 | Confident | 86.3 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -108 | -11.5 | -178.4 | -161.2 | -93.2 | 0 | 0 | 0 | 113.3 | V297 T302 P303 D304 N308 Y309 L310 L435 L436 | V297-F306 HydrophobicContact CG1-CE1 4.35Å; T302-F306 HydrophobicContact CG2-CB 3.74Å; T302-F306 HydrophobicContact CG2-CD1 3.49Å; T302-F306 VanDerWaalsContact CG2-CD1 3.49Å; T302-F306 HydrophobicContact CG2-CE1 4.38Å; T302-F306 HydrophobicContact CG2-CG 3.89Å; P303-F306 PolarHBondContact O-N 3.01Å; D304-F306 PolarHBondContact O-N 3.5Å; D304-F306 VanDerWaalsContact O-N 3.09Å; F306-N308 PolarHBondContact O-N 2.79Å; F306-Y309 AromaticContact CD2-CD2 3.88Å; F306-Y309 HydrophobicContact CD2-CD2 3.88Å; F306-Y309 HydrophobicContact CD2-CE2 4.43Å; F306-Y309 HydrophobicContact CD2-CG 4.34Å; F306-Y309 HydrophobicContact CE2-CD2 4.24Å; F306-Y309 HydrophobicContact CE2-CG 4.28Å; F306-Y309 HydrophobicContact CG-CD2 4.19Å; F306-Y309 WeakPolarHBondContact O-CB 3.4Å; F306-Y309 PolarHBondContact O-N 3.44Å; F306-L310 HydrophobicContact CD1-CD2 4.23Å; F306-L310 HydrophobicContact CD1-CG 4.2Å; F306-L310 HydrophobicContact CE1-CD2 3.9Å; F306-L310 HydrophobicContact CE1-CG 4.36Å; F306-L435 HydrophobicContact CD2-CD1 4.19Å; F306-L435 HydrophobicContact CE2-CD1 3.81Å; F306-L436 HydrophobicContact CB-CD2 4.35Å; F306-L436 HydrophobicContact CD1-CD1 4.33Å; F306-L436 HydrophobicContact CD1-CD2 4.37Å; F306-L436 HydrophobicContact CD2-CD2 4.17Å; F306-L436 HydrophobicContact CE1-CD1 4.07Å; F306-L436 HydrophobicContact CG-CD2 4.04Å; F306-L436 HydrophobicContact CZ-CD1 4.28Å |
| 307 | V | 85.2 | Confident | 85.5 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.7 | -34.7 | -173.8 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | H299 P303 D304 Y309 L310 | H299-V307 HydrophobicContact CB-CG1 4.13Å; P303-V307 PolarHBondContact O-N 3.4Å; D304-V307 PolarHBondContact O-N 2.88Å; V307-Y309 VanDerWaalsContact C-N 3.32Å; V307-Y309 PolarHBondContact O-N 2.76Å; V307-L310 WeakPolarHBondContact O-CB 3.49Å; V307-L310 PolarHBondContact O-N 2.93Å; V307-L310 VanDerWaalsContact O-N 3.16Å |
| 308 | N | 86.7 | Confident | 85 | Confident | 66 Ų | 66 | 74.1 Ų | 74.1 | 35% | 0.353 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -64.7 | -33.6 | 177.2 | -73.7 | -28 | 0 | 0 | 0 | 112.9 | F306 L310 K311 C320 | F306-N308 PolarHBondContact O-N 2.79Å; N308-L310 PolarHBondContact O-N 2.56Å; N308-L310 VanDerWaalsContact O-N 3.14Å; N308-K311 PolarHBondContact O-N 2.89Å; N308-K311 VanDerWaalsContact O-N 3.13Å; N308-K311 PolarHBondContact OD1-NZ 3.44Å; N308-C320 VanDerWaalsContact O-CB 3.26Å; N308-C320 WeakPolarHBondContact O-CB 3.38Å |
| 309 | Y | 88.8 | Confident | 84.7 | Confident | 72 Ų | 72 | 78.1 Ų | 78.1 | 28% | 0.282 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -64.3 | -19.3 | 176.8 | -66.8 | -89 | 0 | 0 | 0 | 112.8 | F306 V307 I319 A321 | F306-Y309 AromaticContact CD2-CD2 3.88Å; F306-Y309 HydrophobicContact CD2-CD2 3.88Å; F306-Y309 HydrophobicContact CD2-CE2 4.43Å; F306-Y309 HydrophobicContact CD2-CG 4.34Å; F306-Y309 HydrophobicContact CE2-CD2 4.24Å; F306-Y309 HydrophobicContact CE2-CG 4.28Å; F306-Y309 HydrophobicContact CG-CD2 4.19Å; F306-Y309 WeakPolarHBondContact O-CB 3.4Å; F306-Y309 PolarHBondContact O-N 3.44Å; V307-Y309 VanDerWaalsContact C-N 3.32Å; V307-Y309 PolarHBondContact O-N 2.76Å; Y309-I319 HydrophobicContact CD1-CG2 4.08Å; Y309-I319 HydrophobicContact CE1-CB 4.07Å; Y309-I319 HydrophobicContact CE1-CG2 3.86Å; Y309-A321 WeakPolarHBondContact O-CB 3.45Å; Y309-A321 PolarHBondContact O-N 2.89Å |
| 310 | L | 91.2 | Very high | 84.9 | Confident | 6 Ų | 6 | 75.1 Ų | 75.1 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -88.2 | -6.4 | -179.9 | -56.5 | 177.3 | 0 | 0 | 0 | 113.1 | V297 F306 V307 N308 T336 L337 | V297-L310 HydrophobicContact CG1-CD2 4.04Å; F306-L310 HydrophobicContact CD1-CD2 4.23Å; F306-L310 HydrophobicContact CD1-CG 4.2Å; F306-L310 HydrophobicContact CE1-CD2 3.9Å; F306-L310 HydrophobicContact CE1-CG 4.36Å; V307-L310 WeakPolarHBondContact O-CB 3.49Å; V307-L310 PolarHBondContact O-N 2.93Å; V307-L310 VanDerWaalsContact O-N 3.16Å; N308-L310 PolarHBondContact O-N 2.56Å; N308-L310 VanDerWaalsContact O-N 3.14Å; L310-T336 CarbonylContact O-C 3.59Å; L310-T336 WeakPolarHBondContact O-CA 3.29Å; L310-L337 HydrophobicContact CB-CB 4.34Å; L310-L337 HydrophobicContact CD2-CB 4.43Å; L310-L337 HydrophobicContact CD2-CD2 4.24Å; L310-L337 WeakPolarHBondContact O-CB 3.28Å; L310-L337 PolarHBondContact O-N 3.21Å |
| 311 | K | 92.3 | Very high | 85.1 | Confident | 77 Ų | 77 | 67.8 Ų | 67.8 | 34% | 0.335 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -75 | 143.5 | 176.3 | -66.1 | 175.5 | 176 | 165.1 | 0 | 110 | N308 G313 C320 A321 G322 | N308-K311 PolarHBondContact O-N 2.89Å; N308-K311 VanDerWaalsContact O-N 3.13Å; N308-K311 PolarHBondContact OD1-NZ 3.44Å; K311-G313 WeakPolarHBondContact CB-O 3.22Å; K311-C320 HydrophobicContact CB-CB 4.28Å; K311-C320 WeakPolarHBondContact O-CB 3.4Å; K311-C320 PolarHBondContact O-SG 2.64Å; K311-A321 WeakPolarHBondContact O-CA 3.22Å; K311-A321 VanDerWaalsContact O-CB 3.25Å; K311-A321 WeakPolarHBondContact O-CB 3.38Å; K311-A321 PolarHBondContact O-N 2.87Å; K311-G322 PolarHBondContact O-N 3.01Å |
| 312 | T | 91.9 | Very high | 85.4 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -86.8 | -31.6 | 172.8 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | G322 L328 G329 Y332 S335 V368 | T312-G322 WeakPolarHBondContact O-CA 3.45Å; T312-L328 HydrophobicContact CG2-CD2 4.2Å; T312-L328 HydrophobicContact CG2-CG 4.11Å; T312-G329 WeakPolarHBondContact O-CA 3.39Å; T312-Y332 WeakPolarHBondContact CB-O 3.17Å; T312-Y332 PolarHBondContact OG1-O 3.47Å; T312-S335 WeakPolarHBondContact CB-O 3.1Å; T312-S335 PolarHBondContact N-O 3.39Å; T312-S335 VanDerWaalsContact OG1-C 3.26Å; T312-S335 WeakPolarHBondContact OG1-CA 3.11Å; T312-S335 PolarHBondContact OG1-N 2.82Å; T312-S335 PolarHBondContact OG1-O 3.5Å; T312-V368 HydrophobicContact CG2-CG1 4.04Å |
| 313 | G | 88.4 | Confident | 85.6 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -97 | 130.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | K311 | K311-G313 WeakPolarHBondContact CB-O 3.22Š|
| 314 | C | 82.3 | Confident | 85.7 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | trans | -109.1 | 146.1 | 179.7 | -36.2 | 0 | 0 | 0 | 0 | 110.3 | C320 T323 | C314-C320 WeakPolarHBondContact CA-SG 3.48Å; C314-C320 HydrophobicContact CB-CB 3.93Å; C314-C320 WeakPolarHBondContact CB-SG 3.43Å; C314-C320 PolarHBondContact N-SG 2.73Å; C314-C320 VanDerWaalsContact N-SG 3.38Å; C314-C320 WeakPolarHBondContact SG-CB 3.34Å; C314-C320 CovalentContact SG-SG 2Å; C314-C320 PolarHBondContact SG-SG 3.19Å; C314-T323 PolarHBondContact SG-N 2.88Å; C314-T323 PolarHBondContact SG-OG1 3.21Å | ||
| 315 | Q | 80.6 | Confident | 86.1 | Confident | 134 Ų | 134 | 61 Ų | 61 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | trans | -77 | 160 | 164.6 | -64.9 | 176 | -24.9 | 0 | 0 | 109.5 | S317 Q318 | Q315-S317 PolarHBondContact O-N 3.11Å; Q315-Q318 HydrophobicContact CB-CG 4.41Å; Q315-Q318 PolarHBondContact O-N 3.38Å; Q315-Q318 VanDerWaalsContact O-N 3.12Å; Q315-Q318 VanDerWaalsContact OE1-NE2 3.08Å | ||
| 316 | E | 77.3 | Confident | 86.6 | Confident | 191 Ų | 191 | 59.7 Ų | 59.7 | 89% | 0.893 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 133.7 | 177.2 | -71.8 | -177.2 | 174.8 | 0 | 0 | 111 | Q318 | E316-Q318 VanDerWaalsContact C-N 3.3Å; E316-Q318 PolarHBondContact O-N 3.23Å |
| 317 | S | 74.5 | Confident | 87.1 | Confident | 134 Ų | 134 | 60.4 Ų | 60.4 | 94% | 0.937 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 12.1 | -179.3 | -46.9 | 0 | 0 | 0 | 0 | 117 | Q315 | Q315-S317 PolarHBondContact O-N 3.11Š|
| 318 | Q | 81.7 | Confident | 87.5 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | trans | -101.5 | 139.8 | 172.4 | -67.8 | 180 | -2.5 | 0 | 0 | 112.3 | Q315 E316 T323 | Q315-Q318 HydrophobicContact CB-CG 4.41Å; Q315-Q318 PolarHBondContact O-N 3.38Å; Q315-Q318 VanDerWaalsContact O-N 3.12Å; Q315-Q318 VanDerWaalsContact OE1-NE2 3.08Å; E316-Q318 VanDerWaalsContact C-N 3.3Å; E316-Q318 PolarHBondContact O-N 3.23Å; Q318-T323 PolarHBondContact O-OG1 2.74Å | ||
| 319 | I | 83 | Confident | 87.7 | Confident | 103 Ų | 103 | 56.4 Ų | 56.4 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | trans | -85.9 | 114.8 | 170.3 | -58.2 | 175.8 | 0 | 0 | 0 | 108.3 | Y309 I324 | Y309-I319 HydrophobicContact CD1-CG2 4.08Å; Y309-I319 HydrophobicContact CE1-CB 4.07Å; Y309-I319 HydrophobicContact CE1-CG2 3.86Å; I319-I324 HydrophobicContact CG2-CD1 4.38Å; I319-I324 HydrophobicContact CG2-CG1 4.27Å | ||
| 320 | C | 90.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | trans | -132.6 | 179.5 | 171.9 | 92.4 | 0 | 0 | 0 | 0 | 112.3 | N308 K311 C314 G322 T323 I324 | N308-C320 VanDerWaalsContact O-CB 3.26Å; N308-C320 WeakPolarHBondContact O-CB 3.38Å; K311-C320 HydrophobicContact CB-CB 4.28Å; K311-C320 WeakPolarHBondContact O-CB 3.4Å; K311-C320 PolarHBondContact O-SG 2.64Å; C314-C320 WeakPolarHBondContact CA-SG 3.48Å; C314-C320 HydrophobicContact CB-CB 3.93Å; C314-C320 WeakPolarHBondContact CB-SG 3.43Å; C314-C320 PolarHBondContact N-SG 2.73Å; C314-C320 VanDerWaalsContact N-SG 3.38Å; C314-C320 WeakPolarHBondContact SG-CB 3.34Å; C314-C320 CovalentContact SG-SG 2Å; C314-C320 PolarHBondContact SG-SG 3.19Å; C320-G322 PolarHBondContact O-N 3.22Å; C320-T323 PolarHBondContact N-OG1 2.54Å; C320-T323 WeakPolarHBondContact O-CB 2.94Å; C320-T323 PolarHBondContact O-N 3.45Å; C320-I324 WeakPolarHBondContact O-CG1 3.27Å; C320-I324 PolarHBondContact O-N 2.78Å; C320-I324 VanDerWaalsContact O-N 3.09Å | ||
| 321 | A | 90.3 | Very high | 88 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.033 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.2 | -32 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y309 K311 I324 F325 L328 L337 | Y309-A321 WeakPolarHBondContact O-CB 3.45Å; Y309-A321 PolarHBondContact O-N 2.89Å; K311-A321 WeakPolarHBondContact O-CA 3.22Å; K311-A321 VanDerWaalsContact O-CB 3.25Å; K311-A321 WeakPolarHBondContact O-CB 3.38Å; K311-A321 PolarHBondContact O-N 2.87Å; A321-I324 PolarHBondContact O-N 3.22Å; A321-F325 PolarHBondContact O-N 2.93Å; A321-L328 HydrophobicContact CB-CD2 4.01Å; A321-L337 HydrophobicContact CB-CD2 4.44Å |
| 322 | G | 90.4 | Very high | 88.1 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.1 | -33 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K311 T312 C320 F325 P326 | K311-G322 PolarHBondContact O-N 3.01Å; T312-G322 WeakPolarHBondContact O-CA 3.45Å; C320-G322 PolarHBondContact O-N 3.22Å; G322-F325 CarbonylContact O-C 3.52Å; G322-P326 WeakPolarHBondContact O-CA 3.43Å; G322-P326 VanDerWaalsContact O-N 3.15Å |
| 323 | T | 88.8 | Confident | 88 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 173.6 | -39.1 | 0 | 0 | 0 | 0 | 110.8 | C314 Q318 C320 | C314-T323 PolarHBondContact SG-N 2.88Å; C314-T323 PolarHBondContact SG-OG1 3.21Å; Q318-T323 PolarHBondContact O-OG1 2.74Å; C320-T323 PolarHBondContact N-OG1 2.54Å; C320-T323 WeakPolarHBondContact O-CB 2.94Å; C320-T323 PolarHBondContact O-N 3.45Å |
| 324 | I | 88 | Confident | 88.1 | Confident | 76 Ų | 76 | 69 Ų | 69 | 39% | 0.39 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -73.3 | -40 | -179 | -60.2 | 168.5 | 0 | 0 | 0 | 110.4 | I319 C320 A321 V428 | I319-I324 HydrophobicContact CG2-CD1 4.38Å; I319-I324 HydrophobicContact CG2-CG1 4.27Å; C320-I324 WeakPolarHBondContact O-CG1 3.27Å; C320-I324 PolarHBondContact O-N 2.78Å; C320-I324 VanDerWaalsContact O-N 3.09Å; A321-I324 PolarHBondContact O-N 3.22Å; I324-V428 HydrophobicContact CG2-CG2 3.88Å |
| 325 | F | 92 | Very high | 88.6 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | trans | -128.7 | 85.7 | 180 | -56.1 | -66.7 | 0 | 0 | 0 | 109.9 | A321 G322 S327 L328 G329 I420 M425 V428 | A321-F325 PolarHBondContact O-N 2.93Å; G322-F325 CarbonylContact O-C 3.52Å; F325-S327 VanDerWaalsContact C-N 3.31Å; F325-S327 PolarHBondContact O-N 3.42Å; F325-L328 HydrophobicContact CB-CB 3.82Å; F325-L328 WeakPolarHBondContact O-CA 3.43Å; F325-L328 WeakPolarHBondContact O-CB 3.46Å; F325-L328 PolarHBondContact O-N 2.86Å; F325-G329 PolarHBondContact O-N 2.58Å; F325-I420 HydrophobicContact CB-CD1 4.28Å; F325-I420 HydrophobicContact CB-CG1 4.26Å; F325-I420 HydrophobicContact CD1-CD1 4.24Å; F325-I420 HydrophobicContact CD1-CG1 3.58Å; F325-I420 HydrophobicContact CD2-CD1 4.23Å; F325-I420 HydrophobicContact CD2-CG1 4.44Å; F325-I420 HydrophobicContact CE1-CG1 3.91Å; F325-I420 HydrophobicContact CG-CD1 4Å; F325-I420 HydrophobicContact CG-CG1 3.85Å; F325-I420 HydrophobicContact CZ-CG1 4.46Å; F325-M425 HydrophobicContact CE2-CE 4.24Å; F325-M425 HydrophobicContact CZ-CE 3.95Å; F325-V428 HydrophobicContact CE2-CG2 3.93Å; F325-V428 HydrophobicContact CZ-CG2 3.66Å | ||
| 326 | P | 91.7 | Very high | 89.2 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.3 | -45.8 | -176.8 | -30.2 | 37 | 0 | 0 | 0 | 113.7 | G322 L328 G329 D330 | G322-P326 WeakPolarHBondContact O-CA 3.43Å; G322-P326 VanDerWaalsContact O-N 3.15Å; P326-L328 PolarHBondContact O-N 3.36Å; P326-L328 VanDerWaalsContact O-N 3.09Å; P326-G329 WeakPolarHBondContact O-CA 3.49Å; P326-G329 PolarHBondContact O-N 3.37Å; P326-D330 PolarHBondContact O-N 2.82Å |
| 327 | S | 94.1 | Very high | 90 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -22.5 | 178 | -49.2 | 0 | 0 | 0 | 0 | 113.7 | F325 K331 | F325-S327 VanDerWaalsContact C-N 3.31Å; F325-S327 PolarHBondContact O-N 3.42Å; S327-K331 WeakPolarHBondContact O-CB 3.49Å; S327-K331 PolarHBondContact O-N 2.94Å; S327-K331 VanDerWaalsContact O-N 3.14Å |
| 328 | L | 93.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.7 | -42 | 172.8 | -172.6 | 70.4 | 0 | 0 | 0 | 111 | T312 A321 F325 P326 Y332 V368 F378 V417 I420 | T312-L328 HydrophobicContact CG2-CD2 4.2Å; T312-L328 HydrophobicContact CG2-CG 4.11Å; A321-L328 HydrophobicContact CB-CD2 4.01Å; F325-L328 HydrophobicContact CB-CB 3.82Å; F325-L328 WeakPolarHBondContact O-CA 3.43Å; F325-L328 WeakPolarHBondContact O-CB 3.46Å; F325-L328 PolarHBondContact O-N 2.86Å; P326-L328 PolarHBondContact O-N 3.36Å; P326-L328 VanDerWaalsContact O-N 3.09Å; L328-Y332 HydrophobicContact CD1-CD2 3.98Å; L328-Y332 HydrophobicContact CD1-CE2 4.44Å; L328-Y332 PolarHBondContact O-N 3.13Å; L328-V368 HydrophobicContact CD1-CG1 4.07Å; L328-F378 HydrophobicContact CD1-CD1 4.34Å; L328-F378 HydrophobicContact CD1-CD2 4.1Å; L328-F378 HydrophobicContact CD1-CE1 4.14Å; L328-F378 HydrophobicContact CD1-CE2 3.91Å; L328-F378 HydrophobicContact CD1-CG 4.33Å; L328-F378 HydrophobicContact CD1-CZ 3.93Å; L328-V417 HydrophobicContact CB-CG1 3.98Å; L328-V417 HydrophobicContact CD1-CG1 4.26Å; L328-V417 HydrophobicContact CD1-CG2 3.89Å; L328-I420 HydrophobicContact CD1-CD1 4.47Å |
| 329 | G | 91.8 | Very high | 91.5 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T312 F325 P326 Y332 P333 | T312-G329 WeakPolarHBondContact O-CA 3.39Å; F325-G329 PolarHBondContact O-N 2.58Å; P326-G329 WeakPolarHBondContact O-CA 3.49Å; P326-G329 PolarHBondContact O-N 3.37Å; G329-Y332 CarbonylContact O-C 3.22Å; G329-P333 WeakPolarHBondContact O-CA 3.24Å |
| 330 | D | 92.8 | Very high | 92.1 | Very high | 134 Ų | 134 | 45.6 Ų | 45.6 | 72% | 0.717 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.5 | -44.2 | 178.9 | -63.4 | -25.9 | 0 | 0 | 0 | 112.1 | P326 | P326-D330 PolarHBondContact O-N 2.82Å |
| 331 | K | 93.1 | Very high | 92.3 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -74.3 | -32.6 | -177.5 | -168.4 | 175.7 | -173.6 | -173.2 | 0 | 112.8 | S327 D416 V417 | S327-K331 WeakPolarHBondContact O-CB 3.49Å; S327-K331 PolarHBondContact O-N 2.94Å; S327-K331 VanDerWaalsContact O-N 3.14Å; K331-D416 PolarHBondContact NZ-O 3.25Å; K331-V417 HydrophobicContact CD-CG2 4.22Å |
| 332 | Y | 93.1 | Very high | 92.6 | Very high | 34 Ų | 34 | 53 Ų | 53 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -132.9 | 65.7 | -175.7 | -56.2 | -72.2 | 0 | 0 | 0 | 111.7 | T312 L328 G329 S335 V368 Y376 F378 V417 | T312-Y332 WeakPolarHBondContact CB-O 3.17Å; T312-Y332 PolarHBondContact OG1-O 3.47Å; L328-Y332 HydrophobicContact CD1-CD2 3.98Å; L328-Y332 HydrophobicContact CD1-CE2 4.44Å; L328-Y332 PolarHBondContact O-N 3.13Å; G329-Y332 CarbonylContact O-C 3.22Å; Y332-S335 WeakPolarHBondContact O-CB 3.44Å; Y332-S335 PolarHBondContact O-OG 2.82Å; Y332-V368 HydrophobicContact CD1-CG2 3.62Å; Y332-V368 HydrophobicContact CD2-CG1 4.24Å; Y332-V368 HydrophobicContact CD2-CG2 3.91Å; Y332-V368 HydrophobicContact CE1-CG2 3.98Å; Y332-V368 HydrophobicContact CE2-CG2 4.23Å; Y332-V368 HydrophobicContact CG-CB 4.43Å; Y332-V368 HydrophobicContact CG-CG1 4.39Å; Y332-V368 HydrophobicContact CG-CG2 3.58Å; Y332-Y376 HydrophobicContact CE1-CG 4.38Å; Y332-F378 HydrophobicContact CE2-CB 4.33Å; Y332-V417 HydrophobicContact CE2-CG2 3.95Å |
| 333 | P | 90.4 | Very high | 92.9 | Very high | 79 Ų | 79 | 53 Ų | 53 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 155.8 | 178.7 | 27.6 | -35.4 | 0 | 0 | 0 | 111.2 | G329 S335 | G329-P333 WeakPolarHBondContact O-CA 3.24Å; P333-S335 PolarHBondContact O-N 3.32Å; P333-S335 PolarHBondContact O-OG 3.15Å; P333-S335 VanDerWaalsContact O-OG 3.07Å |
| 334 | N | 90.5 | Very high | 93.2 | Very high | 111 Ų | 111 | 52.6 Ų | 52.6 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 35.2 | 177.2 | -55.9 | -32.8 | 0 | 0 | 0 | 113.7 | E371 | N334-E371 HydrophobicContact CB-CG 4.42Å; N334-E371 WeakPolarHBondContact O-CG 3.34Å |
| 335 | S | 93.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 161.6 | -179.4 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | T312 Y332 P333 R369 | T312-S335 WeakPolarHBondContact CB-O 3.1Å; T312-S335 PolarHBondContact N-O 3.39Å; T312-S335 VanDerWaalsContact OG1-C 3.26Å; T312-S335 WeakPolarHBondContact OG1-CA 3.11Å; T312-S335 PolarHBondContact OG1-N 2.82Å; T312-S335 PolarHBondContact OG1-O 3.5Å; Y332-S335 WeakPolarHBondContact O-CB 3.44Å; Y332-S335 PolarHBondContact O-OG 2.82Å; P333-S335 PolarHBondContact O-N 3.32Å; P333-S335 PolarHBondContact O-OG 3.15Å; P333-S335 VanDerWaalsContact O-OG 3.07Å; S335-R369 WeakPolarHBondContact CA-O 3.48Å |
| 336 | T | 93.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 23% | 0.233 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 139.6 | 174.5 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | L310 V368 R369 | L310-T336 CarbonylContact O-C 3.59Å; L310-T336 WeakPolarHBondContact O-CA 3.29Å; T336-V368 CarbonylContact O-C 3.54Å; T336-V368 WeakPolarHBondContact O-CA 3.49Å; T336-R369 PolarHBondContact N-O 2.65Å; T336-R369 PolarHBondContact O-N 2.91Å; T336-R369 PolarHBondContact OG1-O 2.86Å |
| 337 | L | 93.6 | Very high | 93.9 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.3 | 176.7 | -175.7 | 70 | 0 | 0 | 0 | 110.5 | L310 A321 M339 F378 | L310-L337 HydrophobicContact CB-CB 4.34Å; L310-L337 HydrophobicContact CD2-CB 4.43Å; L310-L337 HydrophobicContact CD2-CD2 4.24Å; L310-L337 WeakPolarHBondContact O-CB 3.28Å; L310-L337 PolarHBondContact O-N 3.21Å; A321-L337 HydrophobicContact CB-CD2 4.44Å; L337-M339 HydrophobicContact CD1-CG 4.38Å; L337-M339 HydrophobicContact CD1-SD 4.02Å; L337-M339 HydrophobicContact CD2-CG 3.94Å; L337-M339 HydrophobicContact CD2-SD 4.34Å; L337-M339 HydrophobicContact CG-CG 4Å; L337-M339 HydrophobicContact CG-SD 4.29Å; L337-F378 HydrophobicContact CD1-CE1 3.6Å; L337-F378 HydrophobicContact CD1-CZ 3.47Å; L337-F378 VanDerWaalsContact CD1-CZ 3.47Å |
| 338 | D | 93.3 | Very high | 94 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 114.9 | 170.4 | -169.1 | -40.7 | 0 | 0 | 0 | 108.9 | N298 S367 | N298-D338 HydrophobicContact CB-CB 4.11Å; N298-D338 WeakPolarHBondContact CB-OD2 3.29Å; N298-D338 PolarHBondContact ND2-OD2 3.14Å; D338-S367 PolarHBondContact N-O 2.82Å; D338-S367 PolarHBondContact O-N 2.87Å; D338-S367 PolarHBondContact O-OG 2.67Å |
| 339 | M | 93.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 53 Ų | 53 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.9 | 177.2 | -61.1 | -67.3 | -73 | 0 | 0 | 110 | A296 V297 L337 M364 K365 G366 F379 M425 | A296-M339 CarbonylContact C-O 3.59Å; A296-M339 WeakPolarHBondContact CA-O 3.44Å; V297-M339 HydrophobicContact CB-CB 4.23Å; V297-M339 PolarHBondContact N-O 2.92Å; V297-M339 PolarHBondContact O-N 2.91Å; L337-M339 HydrophobicContact CD1-CG 4.38Å; L337-M339 HydrophobicContact CD1-SD 4.02Å; L337-M339 HydrophobicContact CD2-CG 3.94Å; L337-M339 HydrophobicContact CD2-SD 4.34Å; L337-M339 HydrophobicContact CG-CG 4Å; L337-M339 HydrophobicContact CG-SD 4.29Å; M339-M364 HydrophobicContact CE-CE 4.08Å; M339-K365 WeakPolarHBondContact CA-O 3.04Å; M339-G366 WeakPolarHBondContact SD-CA 3.47Å; M339-F379 HydrophobicContact CE-CD1 3.91Å; M339-F379 HydrophobicContact CE-CE1 3.95Å; M339-M425 HydrophobicContact CE-SD 4.44Å |
| 340 | Q | 95.6 | Very high | 94.3 | Very high | 78 Ų | 78 | 54.5 Ų | 54.5 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.7 | 176.2 | -62.5 | -179.1 | 20.9 | 0 | 0 | 109.9 | M364 K365 | Q340-M364 CarbonylContact O-C 3.59Å; Q340-M364 WeakPolarHBondContact O-CA 3.25Å; Q340-K365 PolarHBondContact N-O 3.02Å; Q340-K365 PolarHBondContact O-N 3.37Å |
| 341 | I | 95.6 | Very high | 94.4 | Very high | 27 Ų | 27 | 48.2 Ų | 48.2 | 14% | 0.138 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.3 | 176.1 | -51.8 | 175.7 | 0 | 0 | 0 | 107.3 | N294 M295 S363 M364 M383 | N294-I341 WeakPolarHBondContact CA-O 3.17Å; M295-I341 HydrophobicContact CB-CB 4.31Å; M295-I341 PolarHBondContact N-O 3.39Å; M295-I341 PolarHBondContact O-N 2.89Å; I341-S363 WeakPolarHBondContact CA-O 3.37Å; I341-M364 HydrophobicContact CD1-CE 4.27Å; I341-M364 HydrophobicContact CG1-CE 4.29Å; I341-M364 HydrophobicContact CG1-CG 4.27Å; I341-M364 HydrophobicContact CG2-CG 4.44Å; I341-M383 HydrophobicContact CG2-CE 4.02Å |
| 342 | K | 96.5 | Very high | 94.3 | Very high | 136 Ų | 136 | 47.7 Ų | 47.7 | 59% | 0.591 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127 | 179.1 | -173 | 177.8 | -179.6 | -179.7 | 0 | 109.6 | N344 S362 S363 | K342-N344 PolarHBondContact O-N 3.49Å; K342-N344 PolarHBondContact O-OD1 3.39Å; K342-S362 CarbonylContact O-C 3.52Å; K342-S362 VanDerWaalsContact O-CA 3.22Å; K342-S362 WeakPolarHBondContact O-CA 3.04Å; K342-S362 WeakPolarHBondContact O-CB 3.34Å; K342-S363 PolarHBondContact N-O 2.8Å; K342-S363 PolarHBondContact O-N 3.46Å |
| 343 | Q | 95.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 127.9 | 175.7 | -171.2 | 78.1 | 27.2 | 0 | 0 | 110 | Y288 F293 N294 K345 V361 S362 | Y288-Q343 HydrophobicContact CD2-CB 4.03Å; Y288-Q343 HydrophobicContact CD2-CG 3.77Å; Y288-Q343 HydrophobicContact CE2-CB 4.04Å; Y288-Q343 HydrophobicContact CE2-CG 3.9Å; F293-Q343 HydrophobicContact CB-CB 3.89Å; F293-Q343 HydrophobicContact CB-CG 4.33Å; N294-Q343 PolarHBondContact OD1-N 3.17Å; Q343-K345 WeakPolarHBondContact CG-O 3.22Å; Q343-K345 PolarHBondContact NE2-O 3.4Å; Q343-V361 VanDerWaalsContact NE2-N 3.17Å; Q343-V361 PolarHBondContact NE2-O 2.91Å; Q343-S362 PolarHBondContact OE1-OG 3.14Å |
| 344 | N | 96.2 | Very high | 94 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.353 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -77.3 | -41.1 | -177.9 | -65.2 | -16 | 0 | 0 | 0 | 111.6 | Y288 K342 V361 S363 Q382 | Y288-N344 PolarHBondContact OH-O 3.49Å; Y288-N344 VanDerWaalsContact OH-O 3.12Å; K342-N344 PolarHBondContact O-N 3.49Å; K342-N344 PolarHBondContact O-OD1 3.39Å; N344-V361 WeakPolarHBondContact CB-O 3.35Å; N344-V361 PolarHBondContact N-O 3.32Å; N344-S363 PolarHBondContact ND2-OG 2.85Å; N344-S363 WeakPolarHBondContact OD1-CB 3.28Å; N344-S363 PolarHBondContact OD1-N 3.02Å; N344-S363 VanDerWaalsContact OD1-N 3.12Å; N344-S363 PolarHBondContact OD1-OG 2.83Å; N344-Q382 PolarHBondContact ND2-OE1 3.49Å |
| 345 | K | 94.6 | Very high | 94.1 | Very high | 126 Ų | 126 | 44.6 Ų | 44.6 | 55% | 0.548 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -142.4 | 159.4 | 178.6 | 62.9 | 176.4 | -178.4 | 175 | 0 | 111 | Q343 | Q343-K345 WeakPolarHBondContact CG-O 3.22Å; Q343-K345 PolarHBondContact NE2-O 3.4Å |
| 346 | A | 94.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 20% | 0.198 | 25% | 0.246 | C | C | . | . | trans | -50.9 | 133.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y285 Y288 | Y285-A346 HydrophobicContact CD2-CB 3.84Å; Y288-A346 HydrophobicContact CD1-CB 3.7Å; Y288-A346 HydrophobicContact CE1-CB 4.29Å; Y288-A346 HydrophobicContact CG-CB 3.92Å | ||
| 347 | P | 96.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -58.8 | 150.7 | 172.6 | -25.6 | 36.3 | 0 | 0 | 0 | 111.9 | L284 F293 I358 F359 T360 | L284-P347 HydrophobicContact CB-CB 4.37Å; L284-P347 HydrophobicContact CD1-CB 4.24Å; L284-P347 HydrophobicContact CD2-CB 4.47Å; F293-P347 HydrophobicContact CD1-CG 4.21Å; F293-P347 HydrophobicContact CD2-CG 3.97Å; F293-P347 HydrophobicContact CE1-CG 3.99Å; F293-P347 HydrophobicContact CE2-CG 3.74Å; F293-P347 HydrophobicContact CG-CG 4.22Å; F293-P347 HydrophobicContact CZ-CG 3.77Å; P347-I358 HydrophobicContact CB-CG2 3.95Å; P347-F359 VanDerWaalsContact CA-O 3.31Å; P347-F359 WeakPolarHBondContact CA-O 3.24Å; P347-T360 HydrophobicContact CB-CG2 3.91Å; P347-T360 HydrophobicContact CG-CG2 3.97Å | ||
| 348 | T | 96.1 | Very high | 94.5 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | N281 I358 F359 | N281-T348 WeakPolarHBondContact OD1-CA 3.41Å; T348-I358 CarbonylContact O-C 3.59Å; T348-I358 WeakPolarHBondContact O-CA 3.47Å; T348-F359 PolarHBondContact N-O 3.33Å; T348-F359 VanDerWaalsContact N-O 3.12Å; T348-F359 PolarHBondContact O-N 3.05Å |
| 349 | A | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L280 N281 L284 F351 I356 E357 I358 | L280-A349 HydrophobicContact CB-CB 4.26Å; L280-A349 HydrophobicContact CD2-CB 3.57Å; L280-A349 HydrophobicContact CG-CB 3.77Å; N281-A349 PolarHBondContact ND2-O 2.95Å; N281-A349 PolarHBondContact OD1-N 3.14Å; L284-A349 HydrophobicContact CD1-CB 3.72Å; A349-F351 HydrophobicContact CB-CE1 4.39Å; A349-I356 HydrophobicContact CB-CG2 4.28Å; A349-E357 CarbonylContact C-O 3.52Å; A349-E357 VanDerWaalsContact CA-O 3.27Å; A349-E357 WeakPolarHBondContact CA-O 3.38Å; A349-I358 HydrophobicContact CB-CG1 4.25Å |
| 350 | V | 95.1 | Very high | 94.8 | Very high | 44 Ų | 44 | 47 Ų | 47 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.9 | 172.6 | -178 | 0 | 0 | 0 | 0 | 108.1 | K352 E357 F359 | V350-K352 HydrophobicContact CG1-CG 4.31Å; V350-E357 PolarHBondContact N-O 3.37Å; V350-E357 PolarHBondContact O-N 2.84Å; V350-F359 HydrophobicContact CB-CE2 4.08Å; V350-F359 HydrophobicContact CG2-CD2 4.14Å; V350-F359 HydrophobicContact CG2-CE2 3.78Å |
| 351 | F | 93.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 116.5 | -179.6 | -69 | 24.5 | 0 | 0 | 0 | 107.2 | M275 N277 L280 A349 I356 I466 P468 D469 L471 | M275-F351 HydrophobicContact CE-CE2 4.48Å; M275-F351 HydrophobicContact CE-CZ 4.4Å; N277-F351 HydrophobicContact CB-CD1 3.76Å; N277-F351 HydrophobicContact CB-CE1 3.84Å; N277-F351 HydrophobicContact CB-CG 4.24Å; N277-F351 HydrophobicContact CB-CZ 4.37Å; L280-F351 HydrophobicContact CB-CE1 4.1Å; L280-F351 HydrophobicContact CB-CZ 4.17Å; L280-F351 HydrophobicContact CD2-CE1 3.9Å; L280-F351 HydrophobicContact CD2-CZ 4.36Å; A349-F351 HydrophobicContact CB-CE1 4.39Å; F351-I356 HydrophobicContact CD1-CB 4.41Å; F351-I356 HydrophobicContact CD1-CG1 4.01Å; F351-I356 HydrophobicContact CD1-CG2 3.81Å; F351-I356 HydrophobicContact CD2-CG1 4.49Å; F351-I356 HydrophobicContact CE1-CD1 4.26Å; F351-I356 HydrophobicContact CE1-CG1 4.17Å; F351-I356 HydrophobicContact CE1-CG2 3.81Å; F351-I356 HydrophobicContact CG-CG1 4.2Å; F351-I356 HydrophobicContact CZ-CD1 4.23Å; F351-I466 HydrophobicContact CB-CG2 4.09Å; F351-I466 HydrophobicContact CD2-CG2 4.5Å; F351-P468 WeakPolarHBondContact O-CA 3.19Å; F351-D469 PolarHBondContact O-N 3.16Å; F351-L471 HydrophobicContact CD2-CB 4.08Å; F351-L471 VanDerWaalsContact CD2-N 3.34Å; F351-L471 HydrophobicContact CE2-CB 3.62Å |
| 352 | K | 92.1 | Very high | 95 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 39% | 0.387 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 158.7 | 176.7 | -69.9 | -173.3 | -178 | 168.4 | 0 | 109.4 | V350 G354 A355 E357 I466 | V350-K352 HydrophobicContact CG1-CG 4.31Å; K352-G354 PolarHBondContact O-N 3.5Å; K352-A355 CarbonylContact C-O 3.58Å; K352-A355 PolarHBondContact N-O 2.91Å; K352-A355 PolarHBondContact O-N 3.4Å; K352-E357 WeakPolarHBondContact CD-OE1 3.42Å; K352-E357 WeakPolarHBondContact CE-OE2 3.42Å; K352-E357 VanDerWaalsContact NZ-CD 3.26Å; K352-E357 IonicContact NZ-OE1 2.99Å; K352-E357 PolarHBondContact NZ-OE1 3.44Å; K352-E357 VanDerWaalsContact NZ-OE1 3.12Å; K352-E357 IonicContact NZ-OE2 2.87Å; K352-E357 PolarHBondContact NZ-OE2 2.92Å; K352-I466 WeakPolarHBondContact O-CG2 3.5Å |
| 353 | P | 89.9 | Confident | 95.1 | Very high | 101 Ų | 101 | 39 Ų | 39 | 66% | 0.656 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | 115.4 | 173.8 | -28.6 | 36.1 | 0 | 0 | 0 | 111.9 | A355 I466 P468 | P353-A355 PolarHBondContact O-N 2.81Å; P353-I466 WeakPolarHBondContact CA-O 3.17Å; P353-P468 HydrophobicContact CG-CG 4.14Å |
| 354 | G | 87.6 | Confident | 95.1 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | K352 I466 | K352-G354 PolarHBondContact O-N 3.5Å; G354-I466 PolarHBondContact N-O 3.4Å |
| 355 | A | 93 | Very high | 95.2 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 147.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K352 P353 K390 | K352-A355 CarbonylContact C-O 3.58Å; K352-A355 PolarHBondContact N-O 2.91Å; K352-A355 PolarHBondContact O-N 3.4Å; P353-A355 PolarHBondContact O-N 2.81Å; A355-K390 HydrophobicContact CB-CG 3.92Å |
| 356 | I | 95.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.2 | 165.9 | -59.1 | 168.2 | 0 | 0 | 0 | 107.3 | L280 A349 F351 I358 S388 V389 V392 I466 | L280-I356 HydrophobicContact CD2-CG2 3.64Å; A349-I356 HydrophobicContact CB-CG2 4.28Å; F351-I356 HydrophobicContact CD1-CB 4.41Å; F351-I356 HydrophobicContact CD1-CG1 4.01Å; F351-I356 HydrophobicContact CD1-CG2 3.81Å; F351-I356 HydrophobicContact CD2-CG1 4.49Å; F351-I356 HydrophobicContact CE1-CD1 4.26Å; F351-I356 HydrophobicContact CE1-CG1 4.17Å; F351-I356 HydrophobicContact CE1-CG2 3.81Å; F351-I356 HydrophobicContact CG-CG1 4.2Å; F351-I356 HydrophobicContact CZ-CD1 4.23Å; I356-I358 HydrophobicContact CG2-CG1 4.46Å; I356-S388 CarbonylContact O-C 3.58Å; I356-S388 WeakPolarHBondContact O-CA 3.26Å; I356-V389 HydrophobicContact CB-CB 4.24Å; I356-V389 PolarHBondContact N-O 2.88Å; I356-V389 PolarHBondContact O-N 2.97Å; I356-V392 HydrophobicContact CD1-CG2 4.38Å; I356-I466 HydrophobicContact CG1-CD1 4.16Å; I356-I466 HydrophobicContact CG1-CG2 4.24Å |
| 357 | E | 96.5 | Very high | 95.3 | Very high | 34 Ų | 34 | 34 Ų | 34 | 16% | 0.159 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.6 | 177 | -71.5 | 178.8 | -174.2 | 0 | 0 | 110.2 | A349 V350 K352 F359 V386 T387 | A349-E357 CarbonylContact C-O 3.52Å; A349-E357 VanDerWaalsContact CA-O 3.27Å; A349-E357 WeakPolarHBondContact CA-O 3.38Å; V350-E357 PolarHBondContact N-O 3.37Å; V350-E357 PolarHBondContact O-N 2.84Å; K352-E357 WeakPolarHBondContact CD-OE1 3.42Å; K352-E357 WeakPolarHBondContact CE-OE2 3.42Å; K352-E357 VanDerWaalsContact NZ-CD 3.26Å; K352-E357 IonicContact NZ-OE1 2.99Å; K352-E357 PolarHBondContact NZ-OE1 3.44Å; K352-E357 VanDerWaalsContact NZ-OE1 3.12Å; K352-E357 IonicContact NZ-OE2 2.87Å; K352-E357 PolarHBondContact NZ-OE2 2.92Å; E357-F359 HydrophobicContact CB-CE2 3.85Å; E357-F359 HydrophobicContact CB-CZ 4.12Å; E357-F359 VanDerWaalsContact OE2-CZ 3.23Å; E357-F359 WeakPolarHBondContact OE2-CZ 3.28Å; E357-V386 HydrophobicContact CB-CG1 4.24Å; E357-V386 HydrophobicContact CG-CG1 4.28Å; E357-T387 CarbonylContact C-O 3.58Å |
| 358 | I | 96.9 | Very high | 95.2 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.4 | 177.8 | -56.2 | 173.8 | 0 | 0 | 0 | 108.2 | L284 P347 T348 A349 I356 T360 T387 V389 | L284-I358 HydrophobicContact CD1-CG2 4.05Å; P347-I358 HydrophobicContact CB-CG2 3.95Å; T348-I358 CarbonylContact O-C 3.59Å; T348-I358 WeakPolarHBondContact O-CA 3.47Å; A349-I358 HydrophobicContact CB-CG1 4.25Å; I356-I358 HydrophobicContact CG2-CG1 4.46Å; I358-T360 HydrophobicContact CG2-CG2 4.28Å; I358-T387 PolarHBondContact N-O 2.89Å; I358-T387 PolarHBondContact O-N 3.3Å; I358-V389 HydrophobicContact CD1-CG2 4.37Å |
| 359 | F | 97.8 | Very high | 95.1 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 33% | 0.329 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.3 | 178.9 | -61.9 | -90.1 | 0 | 0 | 0 | 110 | P347 T348 V350 E357 V386 | P347-F359 VanDerWaalsContact CA-O 3.31Å; P347-F359 WeakPolarHBondContact CA-O 3.24Å; T348-F359 PolarHBondContact N-O 3.33Å; T348-F359 VanDerWaalsContact N-O 3.12Å; T348-F359 PolarHBondContact O-N 3.05Å; V350-F359 HydrophobicContact CB-CE2 4.08Å; V350-F359 HydrophobicContact CG2-CD2 4.14Å; V350-F359 HydrophobicContact CG2-CE2 3.78Å; E357-F359 HydrophobicContact CB-CE2 3.85Å; E357-F359 HydrophobicContact CB-CZ 4.12Å; E357-F359 VanDerWaalsContact OE2-CZ 3.23Å; E357-F359 WeakPolarHBondContact OE2-CZ 3.28Å; F359-V386 HydrophobicContact CD1-CG2 3.72Å; F359-V386 HydrophobicContact CE1-CG1 4.18Å; F359-V386 HydrophobicContact CE1-CG2 3.72Å |
| 360 | T | 96.6 | Very high | 94.8 | Very high | 14 Ų | 14 | 34 Ų | 34 | 9% | 0.086 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.4 | 177.6 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | P347 I358 K384 L385 | P347-T360 HydrophobicContact CB-CG2 3.91Å; P347-T360 HydrophobicContact CG-CG2 3.97Å; I358-T360 HydrophobicContact CG2-CG2 4.28Å; T360-K384 WeakPolarHBondContact O-CA 3.44Å; T360-L385 PolarHBondContact N-O 3.21Å; T360-L385 PolarHBondContact O-N 2.97Å; T360-L385 WeakPolarHBondContact OG1-CB 3.18Å; T360-L385 PolarHBondContact OG1-O 3.5Å |
| 361 | V | 97.3 | Very high | 94.4 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 26% | 0.255 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 118.1 | 175.1 | -174.1 | 0 | 0 | 0 | 0 | 107.5 | Q343 N344 M383 K384 | Q343-V361 VanDerWaalsContact NE2-N 3.17Å; Q343-V361 PolarHBondContact NE2-O 2.91Å; N344-V361 WeakPolarHBondContact CB-O 3.35Å; N344-V361 PolarHBondContact N-O 3.32Å; V361-M383 CarbonylContact C-O 3.6Å; V361-M383 WeakPolarHBondContact CA-O 3.33Å; V361-K384 HydrophobicContact CG2-CG 4.4Å |
| 362 | S | 97.1 | Very high | 94 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.2 | -170 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | K342 Q343 Q382 M383 | K342-S362 CarbonylContact O-C 3.52Å; K342-S362 VanDerWaalsContact O-CA 3.22Å; K342-S362 WeakPolarHBondContact O-CA 3.04Å; K342-S362 WeakPolarHBondContact O-CB 3.34Å; Q343-S362 PolarHBondContact OE1-OG 3.14Å; S362-Q382 PolarHBondContact O-OE1 2.83Å; S362-M383 PolarHBondContact N-O 3.05Å; S362-M383 PolarHBondContact O-N 2.82Å |
| 363 | S | 97.9 | Very high | 93.7 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.6 | 167.8 | -61.7 | 0 | 0 | 0 | 0 | 109.7 | I341 K342 N344 Q382 | I341-S363 WeakPolarHBondContact CA-O 3.37Å; K342-S363 PolarHBondContact N-O 2.8Å; K342-S363 PolarHBondContact O-N 3.46Å; N344-S363 PolarHBondContact ND2-OG 2.85Å; N344-S363 WeakPolarHBondContact OD1-CB 3.28Å; N344-S363 PolarHBondContact OD1-N 3.02Å; N344-S363 VanDerWaalsContact OD1-N 3.12Å; N344-S363 PolarHBondContact OD1-OG 2.83Å; S363-Q382 PolarHBondContact OG-NE2 2.86Å; S363-Q382 PolarHBondContact OG-OE1 3.26Å; S363-Q382 VanDerWaalsContact OG-OE1 3.11Å |
| 364 | M | 97.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138 | 174.8 | -58.7 | -177.9 | 63.8 | 0 | 0 | 109.7 | M339 Q340 I341 F379 S380 A381 M383 L410 V429 | M339-M364 HydrophobicContact CE-CE 4.08Å; Q340-M364 CarbonylContact O-C 3.59Å; Q340-M364 WeakPolarHBondContact O-CA 3.25Å; I341-M364 HydrophobicContact CD1-CE 4.27Å; I341-M364 HydrophobicContact CG1-CE 4.29Å; I341-M364 HydrophobicContact CG1-CG 4.27Å; I341-M364 HydrophobicContact CG2-CG 4.44Å; M364-F379 HydrophobicContact CB-CE1 4.1Å; M364-S380 VanDerWaalsContact O-CA 3.29Å; M364-S380 WeakPolarHBondContact O-CA 3.33Å; M364-A381 HydrophobicContact CB-CB 4.48Å; M364-A381 PolarHBondContact N-O 2.94Å; M364-A381 PolarHBondContact O-N 3.25Å; M364-M383 HydrophobicContact CG-CB 4.15Å; M364-M383 HydrophobicContact SD-CB 3.8Å; M364-M383 HydrophobicContact SD-CG 4.3Å; M364-M383 HydrophobicContact SD-SD 3.83Å; M364-L410 HydrophobicContact SD-CD2 3.94Å; M364-V429 HydrophobicContact CE-CG1 4.44Å; M364-V429 HydrophobicContact CE-CG2 3.54Å; M364-V429 HydrophobicContact SD-CG2 4.26Å |
| 365 | K | 97.2 | Very high | 94.1 | Very high | 115 Ų | 115 | 54 Ų | 54 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.2 | 171.4 | -65.8 | -174.5 | 178.8 | -173.9 | 0 | 109.3 | M339 Q340 F379 | M339-K365 WeakPolarHBondContact CA-O 3.04Å; Q340-K365 PolarHBondContact N-O 3.02Å; Q340-K365 PolarHBondContact O-N 3.37Å; K365-F379 WeakPolarHBondContact CA-O 3.28Å |
| 366 | G | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | M339 F378 F379 | M339-G366 WeakPolarHBondContact SD-CA 3.47Å; G366-F378 PolarHBondContact O-N 3.33Å; G366-F379 PolarHBondContact N-O 3.05Å; G366-F379 PolarHBondContact O-N 3.37Å |
| 367 | S | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157.1 | 174.5 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | D338 Q375 Y376 | D338-S367 PolarHBondContact N-O 2.82Å; D338-S367 PolarHBondContact O-N 2.87Å; D338-S367 PolarHBondContact O-OG 2.67Å; S367-Q375 PolarHBondContact OG-NE2 3.4Å; S367-Y376 CarbonylContact C-O 3.58Å; S367-Y376 WeakPolarHBondContact CA-O 3Å; S367-Y376 VanDerWaalsContact CB-O 3.23Å; S367-Y376 WeakPolarHBondContact CB-O 3.24Å |
| 368 | V | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.7 | 169.6 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | T312 L328 Y332 T336 Q375 Y376 F378 | T312-V368 HydrophobicContact CG2-CG1 4.04Å; L328-V368 HydrophobicContact CD1-CG1 4.07Å; Y332-V368 HydrophobicContact CD1-CG2 3.62Å; Y332-V368 HydrophobicContact CD2-CG1 4.24Å; Y332-V368 HydrophobicContact CD2-CG2 3.91Å; Y332-V368 HydrophobicContact CE1-CG2 3.98Å; Y332-V368 HydrophobicContact CE2-CG2 4.23Å; Y332-V368 HydrophobicContact CG-CB 4.43Å; Y332-V368 HydrophobicContact CG-CG1 4.39Å; Y332-V368 HydrophobicContact CG-CG2 3.58Å; T336-V368 CarbonylContact O-C 3.54Å; T336-V368 WeakPolarHBondContact O-CA 3.49Å; V368-Q375 CarbonylContact O-C 3.59Å; V368-Q375 WeakPolarHBondContact O-CA 3.12Å; V368-Y376 HydrophobicContact CG2-CD2 4.31Å; V368-Y376 PolarHBondContact N-O 2.79Å; V368-Y376 PolarHBondContact O-N 2.84Å; V368-F378 HydrophobicContact CG1-CD1 3.99Å; V368-F378 HydrophobicContact CG1-CE1 3.8Å |
| 369 | R | 93.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 17% | 0.166 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.4 | 174.9 | -169.2 | 145.3 | 57.9 | 92.2 | -0.4 | 109.8 | H299 S335 T336 N373 R374 | H299-R369 PolarHBondContact CE1-NH2 2.88Å; H299-R369 PolarHBondContact ND1-NH2 3.31Å; S335-R369 WeakPolarHBondContact CA-O 3.48Å; T336-R369 PolarHBondContact N-O 2.65Å; T336-R369 PolarHBondContact O-N 2.91Å; T336-R369 PolarHBondContact OG1-O 2.86Å; R369-N373 WeakPolarHBondContact CD-OD1 3.38Å; R369-N373 PolarHBondContact NH1-OD1 2.89Å; R369-R374 WeakPolarHBondContact CA-O 3.39Å |
| 370 | S | 90 | Very high | 94.1 | Very high | 25 Ų | 25 | 60 Ų | 60 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 165.3 | 176.1 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | R372 N373 R374 | S370-R372 PolarHBondContact O-N 2.88Å; S370-R372 PolarHBondContact OG-N 2.88Å; S370-N373 WeakPolarHBondContact O-CA 3.12Å; S370-N373 PolarHBondContact O-N 3.42Å; S370-R374 PolarHBondContact N-O 2.96Å; S370-R374 PolarHBondContact OG-N 3.41Å; S370-R374 PolarHBondContact OG-O 3.39Å |
| 371 | E | 85.2 | Confident | 94.1 | Very high | 159 Ų | 159 | 59.5 Ų | 59.5 | 74% | 0.743 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -32.7 | 170.9 | -65.2 | -178.2 | 166.1 | 0 | 0 | 113.2 | N334 N373 | N334-E371 HydrophobicContact CB-CG 4.42Å; N334-E371 WeakPolarHBondContact O-CG 3.34Å; E371-N373 PolarHBondContact O-N 3.16Å |
| 372 | R | 86.9 | Confident | 94.2 | Very high | 208 Ų | 208 | 60.2 Ų | 60.2 | 79% | 0.785 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 12.3 | 174.2 | -60.7 | -174.8 | -177.6 | 178.1 | 1 | 113.4 | S370 R374 | S370-R372 PolarHBondContact O-N 2.88Å; S370-R372 PolarHBondContact OG-N 2.88Å; R372-R374 HydrophobicContact CB-CG 4.49Å; R372-R374 PolarHBondContact O-N 3.47Å |
| 373 | N | 85.8 | Confident | 94.2 | Very high | 110 Ų | 110 | 60.4 Ų | 60.4 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | trans | 56.4 | 19.3 | -177.9 | -159.7 | 47.7 | 0 | 0 | 0 | 114.8 | R369 S370 E371 | R369-N373 WeakPolarHBondContact CD-OD1 3.38Å; R369-N373 PolarHBondContact NH1-OD1 2.89Å; S370-N373 WeakPolarHBondContact O-CA 3.12Å; S370-N373 PolarHBondContact O-N 3.42Å; E371-N373 PolarHBondContact O-N 3.16Å | ||
| 374 | R | 90.7 | Very high | 94.2 | Very high | 148 Ų | 148 | 63.5 Ų | 63.5 | 56% | 0.558 | 28% | 0.281 | S | S | * | . | trans | -78.4 | 135.2 | 169.9 | -63.6 | -174.1 | 176.8 | -175.1 | -2 | 110.1 | R369 S370 R372 Y376 | R369-R374 WeakPolarHBondContact CA-O 3.39Å; S370-R374 PolarHBondContact N-O 2.96Å; S370-R374 PolarHBondContact OG-N 3.41Å; S370-R374 PolarHBondContact OG-O 3.39Å; R372-R374 HydrophobicContact CB-CG 4.49Å; R372-R374 PolarHBondContact O-N 3.47Å; R374-Y376 HydrophobicContact CB-CE2 3.77Å; R374-Y376 VanDerWaalsContact CD-OH 3.3Å; R374-Y376 WeakPolarHBondContact CD-OH 3.34Å | ||
| 375 | Q | 93.7 | Very high | 94.1 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129 | -179.7 | -173.2 | 176.8 | 9.7 | 0 | 0 | 110.4 | S367 V368 Y377 | S367-Q375 PolarHBondContact OG-NE2 3.4Å; V368-Q375 CarbonylContact O-C 3.59Å; V368-Q375 WeakPolarHBondContact O-CA 3.12Å; Q375-Y377 PolarHBondContact NE2-OH 3.09Å |
| 376 | Y | 94.9 | Very high | 94.1 | Very high | 96 Ų | 96 | 58.9 Ų | 58.9 | 38% | 0.376 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121.5 | 177.6 | -55.8 | -82.7 | 0 | 0 | 0 | 109.7 | Y332 S367 V368 R374 | Y332-Y376 HydrophobicContact CE1-CG 4.38Å; S367-Y376 CarbonylContact C-O 3.58Å; S367-Y376 WeakPolarHBondContact CA-O 3Å; S367-Y376 VanDerWaalsContact CB-O 3.23Å; S367-Y376 WeakPolarHBondContact CB-O 3.24Å; V368-Y376 HydrophobicContact CG2-CD2 4.31Å; V368-Y376 PolarHBondContact N-O 2.79Å; V368-Y376 PolarHBondContact O-N 2.84Å; R374-Y376 HydrophobicContact CB-CE2 3.77Å; R374-Y376 VanDerWaalsContact CD-OH 3.3Å; R374-Y376 WeakPolarHBondContact CD-OH 3.34Å |
| 377 | Y | 95.9 | Very high | 94.1 | Very high | 122 Ų | 122 | 59.3 Ų | 59.3 | 48% | 0.478 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 136 | 174.5 | -66.9 | -85.8 | 0 | 0 | 0 | 109.7 | Q375 | Q375-Y377 PolarHBondContact NE2-OH 3.09Å |
| 378 | F | 95 | Very high | 94 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | -8.8 | -178.2 | 72.8 | -90.4 | 0 | 0 | 0 | 113.3 | L328 Y332 L337 G366 V368 S415 D416 V417 I420 | L328-F378 HydrophobicContact CD1-CD1 4.34Å; L328-F378 HydrophobicContact CD1-CD2 4.1Å; L328-F378 HydrophobicContact CD1-CE1 4.14Å; L328-F378 HydrophobicContact CD1-CE2 3.91Å; L328-F378 HydrophobicContact CD1-CG 4.33Å; L328-F378 HydrophobicContact CD1-CZ 3.93Å; Y332-F378 HydrophobicContact CE2-CB 4.33Å; L337-F378 HydrophobicContact CD1-CE1 3.6Å; L337-F378 HydrophobicContact CD1-CZ 3.47Å; L337-F378 VanDerWaalsContact CD1-CZ 3.47Å; G366-F378 PolarHBondContact O-N 3.33Å; V368-F378 HydrophobicContact CG1-CD1 3.99Å; V368-F378 HydrophobicContact CG1-CE1 3.8Å; F378-S415 CarbonylContact O-C 3.54Å; F378-S415 WeakPolarHBondContact O-CA 3.31Å; F378-S415 PolarHBondContact O-OG 3.25Å; F378-D416 PolarHBondContact O-N 2.78Å; F378-V417 HydrophobicContact CB-CG2 4.01Å; F378-V417 HydrophobicContact CD2-CB 4.33Å; F378-V417 HydrophobicContact CD2-CG2 3.76Å; F378-V417 HydrophobicContact CG-CG2 4.1Å; F378-I420 HydrophobicContact CD2-CD1 4.09Å; F378-I420 HydrophobicContact CE2-CD1 3.57Å |
| 379 | F | 96.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 140.5 | -174 | 171.3 | -93.9 | 0 | 0 | 0 | 111.7 | M339 M364 K365 G366 A381 V413 R414 I420 M425 | M339-F379 HydrophobicContact CE-CD1 3.91Å; M339-F379 HydrophobicContact CE-CE1 3.95Å; M364-F379 HydrophobicContact CB-CE1 4.1Å; K365-F379 WeakPolarHBondContact CA-O 3.28Å; G366-F379 PolarHBondContact N-O 3.05Å; G366-F379 PolarHBondContact O-N 3.37Å; F379-A381 HydrophobicContact CE1-CB 3.97Å; F379-A381 HydrophobicContact CE2-CB 4.28Å; F379-A381 HydrophobicContact CZ-CB 3.46Å; F379-A381 VanDerWaalsContact CZ-CB 3.46Å; F379-V413 HydrophobicContact CE2-CG1 3.75Å; F379-R414 CarbonylContact C-O 3.49Å; F379-R414 WeakPolarHBondContact CA-O 3.37Å; F379-I420 HydrophobicContact CD2-CG2 3.74Å; F379-I420 HydrophobicContact CE2-CG2 4.15Å; F379-M425 HydrophobicContact CD2-CE 4.08Å; F379-M425 HydrophobicContact CE1-CG 4.36Å; F379-M425 HydrophobicContact CE1-SD 4.48Å; F379-M425 HydrophobicContact CE2-CB 4.25Å; F379-M425 HydrophobicContact CE2-CE 3.88Å; F379-M425 HydrophobicContact CE2-CG 3.71Å; F379-M425 HydrophobicContact CE2-SD 4.31Å; F379-M425 HydrophobicContact CZ-CB 4.44Å; F379-M425 HydrophobicContact CZ-CE 4.23Å; F379-M425 HydrophobicContact CZ-CG 3.49Å; F379-M425 VanDerWaalsContact CZ-CG 3.49Å; F379-M425 HydrophobicContact CZ-SD 4.1Å |
| 380 | S | 97.7 | Very high | 93.8 | Very high | 45 Ų | 45 | 61.7 Ų | 61.7 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 146.3 | 166.5 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | M364 V413 R414 | M364-S380 VanDerWaalsContact O-CA 3.29Å; M364-S380 WeakPolarHBondContact O-CA 3.33Å; S380-V413 WeakPolarHBondContact O-CA 3.27Å; S380-R414 PolarHBondContact N-O 3.26Å; S380-R414 PolarHBondContact O-N 3.33Å |
| 381 | A | 98 | Very high | 93.7 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 163.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M364 F379 V413 | M364-A381 HydrophobicContact CB-CB 4.48Å; M364-A381 PolarHBondContact N-O 2.94Å; M364-A381 PolarHBondContact O-N 3.25Å; F379-A381 HydrophobicContact CE1-CB 3.97Å; F379-A381 HydrophobicContact CE2-CB 4.28Å; F379-A381 HydrophobicContact CZ-CB 3.46Å; F379-A381 VanDerWaalsContact CZ-CB 3.46Å; A381-V413 HydrophobicContact CB-CG2 3.91Å |
| 382 | Q | 98 | Very high | 93.9 | Very high | 57 Ų | 57 | 59.8 Ų | 59.8 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.4 | 167.1 | -64.7 | -62.7 | -25.8 | 0 | 0 | 108.7 | N344 S362 S363 L410 T411 N412 | N344-Q382 PolarHBondContact ND2-OE1 3.49Å; S362-Q382 PolarHBondContact O-OE1 2.83Å; S363-Q382 PolarHBondContact OG-NE2 2.86Å; S363-Q382 PolarHBondContact OG-OE1 3.26Å; S363-Q382 VanDerWaalsContact OG-OE1 3.11Å; Q382-L410 CarbonylContact O-C 3.55Å; Q382-L410 WeakPolarHBondContact O-CA 3.07Å; Q382-T411 WeakPolarHBondContact CB-OG1 3.35Å; Q382-T411 PolarHBondContact N-O 2.99Å; Q382-T411 PolarHBondContact O-N 3.42Å; Q382-T411 PolarHBondContact O-OG1 3.43Å; Q382-N412 HydrophobicContact CG-CB 4.34Å |
| 383 | M | 97 | Very high | 94 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.034 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.8 | -178.4 | -178.8 | 175.9 | 71.2 | 0 | 0 | 110.1 | I341 V361 S362 M364 L385 L408 E409 L410 V429 | I341-M383 HydrophobicContact CG2-CE 4.02Å; V361-M383 CarbonylContact C-O 3.6Å; V361-M383 WeakPolarHBondContact CA-O 3.33Å; S362-M383 PolarHBondContact N-O 3.05Å; S362-M383 PolarHBondContact O-N 2.82Å; M364-M383 HydrophobicContact CG-CB 4.15Å; M364-M383 HydrophobicContact SD-CB 3.8Å; M364-M383 HydrophobicContact SD-CG 4.3Å; M364-M383 HydrophobicContact SD-SD 3.83Å; M383-L385 HydrophobicContact CG-CB 4.46Å; M383-L408 HydrophobicContact CG-CD1 3.59Å; M383-L408 HydrophobicContact SD-CD1 3.74Å; M383-E409 WeakPolarHBondContact CA-O 3.46Å; M383-L410 HydrophobicContact CB-CD2 3.73Å; M383-L410 HydrophobicContact CG-CD2 3.79Å; M383-L410 HydrophobicContact SD-CD2 4.48Å; M383-V429 HydrophobicContact SD-CG1 3.88Å |
| 384 | K | 97.6 | Very high | 94.1 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 41% | 0.413 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.3 | 161.6 | -55.9 | -175.4 | -155 | 140.5 | 0 | 108.4 | T360 V361 E409 | T360-K384 WeakPolarHBondContact O-CA 3.44Å; V361-K384 HydrophobicContact CG2-CG 4.4Å; K384-E409 HydrophobicContact CB-CB 4.33Å; K384-E409 WeakPolarHBondContact CD-OE2 3.18Å; K384-E409 PolarHBondContact N-O 2.86Å; K384-E409 IonicContact NZ-OE1 2.77Å; K384-E409 IonicContact NZ-OE2 3.21Å; K384-E409 PolarHBondContact NZ-OE2 3.06Å; K384-E409 PolarHBondContact O-N 3.32Å |
| 385 | L | 96.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.4 | -179.1 | 170.2 | 75 | 0 | 0 | 0 | 109.6 | T360 M383 F405 Q407 L408 L433 | T360-L385 PolarHBondContact N-O 3.21Å; T360-L385 PolarHBondContact O-N 2.97Å; T360-L385 WeakPolarHBondContact OG1-CB 3.18Å; T360-L385 PolarHBondContact OG1-O 3.5Å; M383-L385 HydrophobicContact CG-CB 4.46Å; L385-F405 HydrophobicContact CD1-CB 3.94Å; L385-F405 HydrophobicContact CD1-CD1 3.88Å; L385-F405 HydrophobicContact CD1-CG 4.19Å; L385-F405 HydrophobicContact CD2-CD1 4.01Å; L385-F405 HydrophobicContact CD2-CE1 4.23Å; L385-F405 HydrophobicContact CG-CD1 4.3Å; L385-Q407 CarbonylContact C-O 3.56Å; L385-Q407 WeakPolarHBondContact CA-O 3.48Å; L385-Q407 WeakPolarHBondContact CD1-O 3.27Å; L385-L408 HydrophobicContact CD1-CB 4.36Å; L385-L408 HydrophobicContact CD1-CD1 4.36Å; L385-L433 HydrophobicContact CD1-CD1 3.79Å; L385-L433 HydrophobicContact CD2-CD1 4.06Å; L385-L433 HydrophobicContact CD2-CD2 4.15Å |
| 386 | V | 97.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 48 Ų | 48 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 112.7 | 172.2 | -176 | 0 | 0 | 0 | 0 | 108.3 | E357 F359 D406 Q407 | E357-V386 HydrophobicContact CB-CG1 4.24Å; E357-V386 HydrophobicContact CG-CG1 4.28Å; F359-V386 HydrophobicContact CD1-CG2 3.72Å; F359-V386 HydrophobicContact CE1-CG1 4.18Å; F359-V386 HydrophobicContact CE1-CG2 3.72Å; V386-D406 PolarHBondContact O-N 3.14Å; V386-Q407 HydrophobicContact CB-CB 3.94Å; V386-Q407 HydrophobicContact CB-CG 4.4Å; V386-Q407 HydrophobicContact CG2-CB 3.94Å; V386-Q407 HydrophobicContact CG2-CG 4.45Å; V386-Q407 PolarHBondContact N-O 2.75Å; V386-Q407 PolarHBondContact O-N 3.34Å |
| 387 | T | 95 | Very high | 92.8 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.3 | 176.9 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | E357 I358 I403 S404 F405 M441 | E357-T387 CarbonylContact C-O 3.58Å; I358-T387 PolarHBondContact N-O 2.89Å; I358-T387 PolarHBondContact O-N 3.3Å; T387-I403 HydrophobicContact CG2-CG2 3.52Å; T387-S404 CarbonylContact C-O 3.45Å; T387-S404 WeakPolarHBondContact CA-O 3.07Å; T387-F405 HydrophobicContact CG2-CD1 4.01Å; T387-F405 HydrophobicContact CG2-CE1 3.96Å; T387-F405 WeakPolarHBondContact OG1-CD1 3.41Å; T387-M441 HydrophobicContact CG2-CE 4.4Å |
| 388 | S | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132 | 178.9 | -68.3 | 0 | 0 | 0 | 0 | 111 | I356 I403 S404 D406 | I356-S388 CarbonylContact O-C 3.58Å; I356-S388 WeakPolarHBondContact O-CA 3.26Å; S388-I403 WeakPolarHBondContact O-CA 3.45Å; S388-S404 PolarHBondContact N-O 3.47Å; S388-S404 PolarHBondContact O-N 3.36Å; S388-D406 WeakPolarHBondContact CB-OD2 3.36Å; S388-D406 PolarHBondContact OG-OD2 3.44Å |
| 389 | V | 92.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 109.4 | 168.4 | -172 | 0 | 0 | 0 | 0 | 108.1 | I356 I358 V392 D402 I403 | I356-V389 HydrophobicContact CB-CB 4.24Å; I356-V389 PolarHBondContact N-O 2.88Å; I356-V389 PolarHBondContact O-N 2.97Å; I358-V389 HydrophobicContact CD1-CG2 4.37Å; V389-V392 HydrophobicContact CG1-CG2 4.07Å; V389-D402 WeakPolarHBondContact CA-O 3.16Å; V389-I403 HydrophobicContact CG2-CG1 4.4Å |
| 390 | K | 91 | Very high | 91.5 | Very high | 77 Ų | 77 | 45.3 Ų | 45.3 | 34% | 0.335 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 166.7 | -178.2 | -66.2 | 171.4 | -176.9 | 157.2 | 0 | 109.8 | A355 V392 D402 D406 | A355-K390 HydrophobicContact CB-CG 3.92Å; K390-V392 VanDerWaalsContact C-N 3.29Å; K390-V392 PolarHBondContact O-N 3.19Å; K390-D402 PolarHBondContact N-O 3.4Å; K390-D402 PolarHBondContact O-N 2.93Å; K390-D406 WeakPolarHBondContact CE-OD2 3.01Å; K390-D406 IonicContact NZ-OD1 2.73Å; K390-D406 PolarHBondContact NZ-OD1 2.94Å; K390-D406 IonicContact NZ-OD2 3.02Å; K390-D406 PolarHBondContact NZ-OD2 3.24Å |
| 391 | R | 88.6 | Confident | 91.1 | Very high | 134 Ų | 134 | 43.5 Ų | 43.5 | 51% | 0.506 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.1 | 47.5 | 175.3 | -61.1 | -177.5 | -72.5 | 172.6 | 0.5 | 112.6 | R393 D402 | R391-R393 WeakPolarHBondContact O-CG 3.46Å; R391-R393 PolarHBondContact O-N 2.85Å; R391-R393 PolarHBondContact O-NH1 2.98Å; R391-D402 WeakPolarHBondContact CB-OD2 3.49Å; R391-D402 IonicContact CZ-OD2 2.76Å; R391-D402 IonicContact NE-OD2 2.78Å; R391-D402 PolarHBondContact NE-OD2 2.82Å; R391-D402 IonicContact NH1-OD2 2.7Å; R391-D402 IonicContact NH2-OD2 3.29Å; R391-D402 PolarHBondContact NH2-OD2 3.08Å |
| 392 | V | 90.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 128.3 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | I356 V389 K390 D400 V464 I466 L471 S493 | I356-V392 HydrophobicContact CD1-CG2 4.38Å; V389-V392 HydrophobicContact CG1-CG2 4.07Å; K390-V392 VanDerWaalsContact C-N 3.29Å; K390-V392 PolarHBondContact O-N 3.19Å; V392-D400 CarbonylContact C-O 3.6Å; V392-D400 VanDerWaalsContact CA-O 3.27Å; V392-D400 WeakPolarHBondContact CA-O 3.33Å; V392-V464 HydrophobicContact CB-CG1 4.05Å; V392-V464 HydrophobicContact CG1-CG1 3.94Å; V392-I466 HydrophobicContact CG2-CD1 3.89Å; V392-L471 HydrophobicContact CG1-CD1 4.49Å; V392-S493 WeakPolarHBondContact O-CB 3.32Å |
| 393 | R | 88.2 | Confident | 90.3 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 153.5 | -178.4 | -66.3 | 164.4 | -61.6 | -107.9 | 4 | 108.7 | R391 A399 D400 D402 | R391-R393 WeakPolarHBondContact O-CG 3.46Å; R391-R393 PolarHBondContact O-N 2.85Å; R391-R393 PolarHBondContact O-NH1 2.98Å; R393-A399 CarbonylContact O-C 3.54Å; R393-A399 VanDerWaalsContact O-CA 3.27Å; R393-A399 WeakPolarHBondContact O-CA 3.37Å; R393-D400 IonicContact CZ-OD2 2.95Å; R393-D400 PolarHBondContact N-O 2.62Å; R393-D400 IonicContact NE-OD1 2.81Å; R393-D400 IonicContact NE-OD2 3.64Å; R393-D400 PolarHBondContact NE-OD2 2.98Å; R393-D400 IonicContact NH2-OD2 3.12Å; R393-D400 PolarHBondContact NH2-OD2 3.13Å; R393-D400 PolarHBondContact O-N 2.8Å; R393-D402 IonicContact CZ-OD1 3.72Å; R393-D402 IonicContact CZ-OD2 3.44Å; R393-D402 IonicContact NH1-OD1 3.68Å; R393-D402 PolarHBondContact NH1-OD1 3.02Å; R393-D402 IonicContact NH1-OD2 2.64Å; R393-D402 PolarHBondContact NH1-OD2 2.95Å; R393-D402 IonicContact NH2-OD1 2.65Å; R393-D402 PolarHBondContact NH2-OD1 3.01Å; R393-D402 IonicContact NH2-OD2 2.93Å |
| 394 | V | 87.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.9 | 166.7 | -171.8 | 0 | 0 | 0 | 0 | 108.1 | Y398 A399 I451 M459 V464 V473 N490 A491 | V394-Y398 CarbonylContact C-O 3.56Å; V394-Y398 VanDerWaalsContact CA-O 3.3Å; V394-Y398 WeakPolarHBondContact CA-O 3.4Å; V394-A399 HydrophobicContact CG2-CB 4.49Å; V394-I451 HydrophobicContact CB-CD1 4.24Å; V394-I451 HydrophobicContact CG1-CD1 3.62Å; V394-I451 HydrophobicContact CG2-CD1 3.5Å; V394-M459 HydrophobicContact CB-CE 4.2Å; V394-M459 HydrophobicContact CG1-CE 3.78Å; V394-V464 HydrophobicContact CG2-CG2 3.85Å; V394-V473 HydrophobicContact CG2-CG1 4.48Å; V394-N490 CarbonylContact O-C 3.56Å; V394-N490 VanDerWaalsContact O-CA 3.31Å; V394-N490 WeakPolarHBondContact O-CA 3.28Å; V394-A491 HydrophobicContact CB-CB 3.7Å; V394-A491 HydrophobicContact CG2-CB 3.91Å; V394-A491 PolarHBondContact N-O 2.89Å; V394-A491 PolarHBondContact O-N 2.77Å |
| 395 | R | 85.3 | Confident | 89.9 | Confident | 127 Ų | 127 | 41 Ų | 41 | 48% | 0.479 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 119.5 | 174.6 | -72.1 | -176.8 | -81.6 | -166.2 | -2.3 | 109 | Y397 Y398 D400 G489 N490 | R395-Y397 VanDerWaalsContact C-N 3.26Å; R395-Y397 PolarHBondContact O-N 3.37Å; R395-Y398 PolarHBondContact N-O 2.87Å; R395-Y398 WeakPolarHBondContact O-CB 3.46Å; R395-Y398 PolarHBondContact O-N 3.17Å; R395-D400 IonicContact CZ-OD1 2.78Å; R395-D400 IonicContact CZ-OD2 3.57Å; R395-D400 IonicContact NE-OD1 2.89Å; R395-D400 PolarHBondContact NE-OD1 2.8Å; R395-D400 IonicContact NH2-OD1 2.8Å; R395-D400 PolarHBondContact NH2-OD1 2.84Å; R395-D400 IonicContact NH2-OD2 3.23Å; R395-D400 PolarHBondContact NH2-OD2 2.64Å; R395-G489 CarbonylContact C-O 3.54Å; R395-N490 WeakPolarHBondContact CA-OD1 3.48Å |
| 396 | H | 84 | Confident | 89.7 | Confident | 115 Ų | 115 | 43.7 Ų | 43.7 | 53% | 0.532 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 45.9 | -175.8 | -55.5 | -56.9 | 0 | 0 | 0 | 114.1 | Y398 V488 G489 N490 | H396-Y398 VanDerWaalsContact C-N 3.27Å; H396-Y398 WeakPolarHBondContact O-CD2 3.41Å; H396-Y398 PolarHBondContact O-N 3.01Å; H396-V488 PolarHBondContact ND1-O 2.85Å; H396-G489 WeakPolarHBondContact CA-O 3.27Å; H396-G489 PolarHBondContact N-O 2.93Å; H396-N490 PolarHBondContact N-OD1 2.99Å |
| 397 | Y | 83.6 | Confident | 89.5 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 12.8 | -175.8 | -53.6 | -88.7 | 0 | 0 | 0 | 116.1 | R395 I451 K453 E458 M459 G489 | R395-Y397 VanDerWaalsContact C-N 3.26Å; R395-Y397 PolarHBondContact O-N 3.37Å; Y397-I451 PolarHBondContact O-N 2.93Å; Y397-K453 HydrophobicContact CE2-CD 4.49Å; Y397-E458 WeakPolarHBondContact CE2-OE2 3.35Å; Y397-E458 VanDerWaalsContact OH-CA 3.3Å; Y397-E458 WeakPolarHBondContact OH-CA 3.44Å; Y397-E458 PolarHBondContact OH-OE2 3.12Å; Y397-M459 HydrophobicContact CE1-CB 3.66Å; Y397-M459 PolarHBondContact OH-N 3.16Å; Y397-G489 PolarHBondContact N-O 2.82Å |
| 398 | Y | 86.1 | Confident | 89.6 | Confident | 102 Ų | 102 | 50.8 Ų | 50.8 | 40% | 0.4 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122 | 172.1 | -69.3 | -92 | 0 | 0 | 0 | 110.1 | V394 R395 H396 G447 M449 K450 | V394-Y398 CarbonylContact C-O 3.56Å; V394-Y398 VanDerWaalsContact CA-O 3.3Å; V394-Y398 WeakPolarHBondContact CA-O 3.4Å; R395-Y398 PolarHBondContact N-O 2.87Å; R395-Y398 WeakPolarHBondContact O-CB 3.46Å; R395-Y398 PolarHBondContact O-N 3.17Å; H396-Y398 VanDerWaalsContact C-N 3.27Å; H396-Y398 WeakPolarHBondContact O-CD2 3.41Å; H396-Y398 PolarHBondContact O-N 3.01Å; Y398-G447 WeakPolarHBondContact CD1-O 3.47Å; Y398-M449 WeakPolarHBondContact CA-O 3.47Å; Y398-K450 HydrophobicContact CD1-CB 4.28Å; Y398-K450 HydrophobicContact CE1-CB 4Å; Y398-K450 HydrophobicContact CE1-CG 4.41Å |
| 399 | A | 85.8 | Confident | 89.7 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R393 V394 G448 M449 I451 | R393-A399 CarbonylContact O-C 3.54Å; R393-A399 VanDerWaalsContact O-CA 3.27Å; R393-A399 WeakPolarHBondContact O-CA 3.37Å; V394-A399 HydrophobicContact CG2-CB 4.49Å; A399-G448 CarbonylContact O-C 3.46Å; A399-G448 WeakPolarHBondContact O-CA 3.4Å; A399-M449 PolarHBondContact N-O 2.77Å; A399-M449 PolarHBondContact O-N 3.17Å; A399-I451 HydrophobicContact CB-CD1 4.14Å; A399-I451 HydrophobicContact CB-CG1 4.28Å |
| 400 | D | 86.9 | Confident | 89.9 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 166.4 | 171 | 80 | -76.5 | 0 | 0 | 0 | 110.9 | V392 R393 R395 | V392-D400 CarbonylContact C-O 3.6Å; V392-D400 VanDerWaalsContact CA-O 3.27Å; V392-D400 WeakPolarHBondContact CA-O 3.33Å; R393-D400 IonicContact CZ-OD2 2.95Å; R393-D400 PolarHBondContact N-O 2.62Å; R393-D400 IonicContact NE-OD1 2.81Å; R393-D400 IonicContact NE-OD2 3.64Å; R393-D400 PolarHBondContact NE-OD2 2.98Å; R393-D400 IonicContact NH2-OD2 3.12Å; R393-D400 PolarHBondContact NH2-OD2 3.13Å; R393-D400 PolarHBondContact O-N 2.8Å; R395-D400 IonicContact CZ-OD1 2.78Å; R395-D400 IonicContact CZ-OD2 3.57Å; R395-D400 IonicContact NE-OD1 2.89Å; R395-D400 PolarHBondContact NE-OD1 2.8Å; R395-D400 IonicContact NH2-OD1 2.8Å; R395-D400 PolarHBondContact NH2-OD1 2.84Å; R395-D400 IonicContact NH2-OD2 3.23Å; R395-D400 PolarHBondContact NH2-OD2 2.64Å |
| 401 | G | 88.8 | Confident | 90.2 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 6% | 0.062 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 163.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 402 | D | 89.7 | Confident | 90.6 | Very high | 34 Ų | 34 | 51.7 Ų | 51.7 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.9 | -178.7 | -59.1 | -35.8 | 0 | 0 | 0 | 110 | V389 K390 R391 R393 | V389-D402 WeakPolarHBondContact CA-O 3.16Å; K390-D402 PolarHBondContact N-O 3.4Å; K390-D402 PolarHBondContact O-N 2.93Å; R391-D402 WeakPolarHBondContact CB-OD2 3.49Å; R391-D402 IonicContact CZ-OD2 2.76Å; R391-D402 IonicContact NE-OD2 2.78Å; R391-D402 PolarHBondContact NE-OD2 2.82Å; R391-D402 IonicContact NH1-OD2 2.7Å; R391-D402 IonicContact NH2-OD2 3.29Å; R391-D402 PolarHBondContact NH2-OD2 3.08Å; R393-D402 IonicContact CZ-OD1 3.72Å; R393-D402 IonicContact CZ-OD2 3.44Å; R393-D402 IonicContact NH1-OD1 3.68Å; R393-D402 PolarHBondContact NH1-OD1 3.02Å; R393-D402 IonicContact NH1-OD2 2.64Å; R393-D402 PolarHBondContact NH1-OD2 2.95Å; R393-D402 IonicContact NH2-OD1 2.65Å; R393-D402 PolarHBondContact NH2-OD1 3.01Å; R393-D402 IonicContact NH2-OD2 2.93Å |
| 403 | I | 90.5 | Very high | 90.9 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.3 | -177.6 | -62.8 | 160 | 0 | 0 | 0 | 110.3 | T387 S388 V389 F405 M441 L445 | T387-I403 HydrophobicContact CG2-CG2 3.52Å; S388-I403 WeakPolarHBondContact O-CA 3.45Å; V389-I403 HydrophobicContact CG2-CG1 4.4Å; I403-F405 HydrophobicContact CG2-CE1 4.47Å; I403-M441 HydrophobicContact CD1-CB 3.4Å; I403-M441 VanDerWaalsContact CD1-CB 3.4Å; I403-M441 HydrophobicContact CD1-CE 3.75Å; I403-M441 HydrophobicContact CD1-CG 4.4Å; I403-M441 HydrophobicContact CD1-SD 4.28Å; I403-M441 HydrophobicContact CG1-CE 4.46Å; I403-M441 HydrophobicContact CG2-CE 4.44Å; I403-M441 HydrophobicContact CG2-SD 4.5Å; I403-L445 HydrophobicContact CD1-CD1 3.32Å; I403-L445 HydrophobicContact CD1-CG 4.16Å; I403-L445 HydrophobicContact CG1-CD1 3.7Å |
| 404 | S | 92.5 | Very high | 91.3 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 151.6 | 165.5 | 58.3 | 0 | 0 | 0 | 0 | 110.9 | T387 S388 D406 | T387-S404 CarbonylContact C-O 3.45Å; T387-S404 WeakPolarHBondContact CA-O 3.07Å; S388-S404 PolarHBondContact N-O 3.47Å; S388-S404 PolarHBondContact O-N 3.36Å; S404-D406 VanDerWaalsContact CB-OD1 3.31Å; S404-D406 WeakPolarHBondContact CB-OD1 3.4Å; S404-D406 PolarHBondContact OG-OD1 3.11Å |
| 405 | F | 93.8 | Very high | 91.7 | Very high | 38 Ų | 38 | 61 Ų | 61 | 17% | 0.167 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 95.9 | 170.7 | -58.3 | -60.3 | 0 | 0 | 0 | 107.3 | L385 T387 I403 L433 V437 K438 M441 | L385-F405 HydrophobicContact CD1-CB 3.94Å; L385-F405 HydrophobicContact CD1-CD1 3.88Å; L385-F405 HydrophobicContact CD1-CG 4.19Å; L385-F405 HydrophobicContact CD2-CD1 4.01Å; L385-F405 HydrophobicContact CD2-CE1 4.23Å; L385-F405 HydrophobicContact CG-CD1 4.3Å; T387-F405 HydrophobicContact CG2-CD1 4.01Å; T387-F405 HydrophobicContact CG2-CE1 3.96Å; T387-F405 WeakPolarHBondContact OG1-CD1 3.41Å; I403-F405 HydrophobicContact CG2-CE1 4.47Å; F405-L433 HydrophobicContact CD2-CB 3.76Å; F405-L433 HydrophobicContact CD2-CD1 4.48Å; F405-L433 HydrophobicContact CE2-CB 3.64Å; F405-L433 WeakPolarHBondContact CE2-O 3.43Å; F405-L433 HydrophobicContact CG-CB 4.44Å; F405-L433 HydrophobicContact CG-CD1 4.37Å; F405-L433 HydrophobicContact CZ-CB 4.25Å; F405-L433 HydrophobicContact CZ-CD2 4.39Å; F405-V437 HydrophobicContact CE1-CG1 4.49Å; F405-V437 HydrophobicContact CZ-CB 4.04Å; F405-V437 HydrophobicContact CZ-CG1 3.89Å; F405-K438 HydrophobicContact CE2-CB 3.84Å; F405-K438 HydrophobicContact CZ-CB 4.31Å; F405-M441 HydrophobicContact CE1-SD 4.44Å; F405-M441 HydrophobicContact CZ-SD 4.44Å |
| 406 | D | 91.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 60.2 Ų | 60.2 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -29.6 | -168.7 | -74.8 | 3.4 | 0 | 0 | 0 | 111.8 | V386 S388 K390 S404 | V386-D406 PolarHBondContact O-N 3.14Å; S388-D406 WeakPolarHBondContact CB-OD2 3.36Å; S388-D406 PolarHBondContact OG-OD2 3.44Å; K390-D406 WeakPolarHBondContact CE-OD2 3.01Å; K390-D406 IonicContact NZ-OD1 2.73Å; K390-D406 PolarHBondContact NZ-OD1 2.94Å; K390-D406 IonicContact NZ-OD2 3.02Å; K390-D406 PolarHBondContact NZ-OD2 3.24Å; S404-D406 VanDerWaalsContact CB-OD1 3.31Å; S404-D406 WeakPolarHBondContact CB-OD1 3.4Å; S404-D406 PolarHBondContact OG-OD1 3.11Å |
| 407 | Q | 94.6 | Very high | 92.6 | Very high | 129 Ų | 129 | 55 Ų | 55 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 131.7 | 178.1 | -57.1 | -179.3 | -17.9 | 0 | 0 | 111 | L385 V386 | L385-Q407 CarbonylContact C-O 3.56Å; L385-Q407 WeakPolarHBondContact CA-O 3.48Å; L385-Q407 WeakPolarHBondContact CD1-O 3.27Å; V386-Q407 HydrophobicContact CB-CB 3.94Å; V386-Q407 HydrophobicContact CB-CG 4.4Å; V386-Q407 HydrophobicContact CG2-CB 3.94Å; V386-Q407 HydrophobicContact CG2-CG 4.45Å; V386-Q407 PolarHBondContact N-O 2.75Å; V386-Q407 PolarHBondContact O-N 3.34Å |
| 408 | L | 96.2 | Very high | 93 | Very high | 40 Ų | 40 | 61 Ų | 61 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 123.3 | 173.5 | 172.1 | 64.8 | 0 | 0 | 0 | 108.8 | M383 L385 L410 T426 V429 L433 | M383-L408 HydrophobicContact CG-CD1 3.59Å; M383-L408 HydrophobicContact SD-CD1 3.74Å; L385-L408 HydrophobicContact CD1-CB 4.36Å; L385-L408 HydrophobicContact CD1-CD1 4.36Å; L408-L410 HydrophobicContact CD1-CD2 4.28Å; L408-T426 HydrophobicContact CD2-CG2 4.04Å; L408-T426 HydrophobicContact CG-CG2 4.31Å; L408-V429 HydrophobicContact CD1-CG1 4.14Å; L408-V429 HydrophobicContact CD2-CB 4.11Å; L408-V429 HydrophobicContact CD2-CG1 3.84Å; L408-L433 HydrophobicContact CD1-CD1 4.42Å; L408-L433 HydrophobicContact CD2-CD1 4.33Å |
| 409 | E | 96.8 | Very high | 93.2 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.8 | 176.5 | -170.5 | -164.9 | -179 | 0 | 0 | 109.6 | M383 K384 T411 | M383-E409 WeakPolarHBondContact CA-O 3.46Å; K384-E409 HydrophobicContact CB-CB 4.33Å; K384-E409 WeakPolarHBondContact CD-OE2 3.18Å; K384-E409 PolarHBondContact N-O 2.86Å; K384-E409 IonicContact NZ-OE1 2.77Å; K384-E409 IonicContact NZ-OE2 3.21Å; K384-E409 PolarHBondContact NZ-OE2 3.06Å; K384-E409 PolarHBondContact O-N 3.32Å; E409-T411 HydrophobicContact CG-CG2 4.01Å; E409-T411 WeakPolarHBondContact OE1-CG2 3.49Å |
| 410 | L | 97.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.3 | 169.4 | -59.4 | -173.8 | 0 | 0 | 0 | 110.2 | M364 Q382 M383 L408 V413 R422 M425 V429 | M364-L410 HydrophobicContact SD-CD2 3.94Å; Q382-L410 CarbonylContact O-C 3.55Å; Q382-L410 WeakPolarHBondContact O-CA 3.07Å; M383-L410 HydrophobicContact CB-CD2 3.73Å; M383-L410 HydrophobicContact CG-CD2 3.79Å; M383-L410 HydrophobicContact SD-CD2 4.48Å; L408-L410 HydrophobicContact CD1-CD2 4.28Å; L410-V413 HydrophobicContact CB-CG2 3.91Å; L410-R422 HydrophobicContact CB-CG 4.32Å; L410-R422 WeakPolarHBondContact O-CD 3.28Å; L410-R422 WeakPolarHBondContact O-CG 3.39Å; L410-M425 HydrophobicContact CD1-CB 3.89Å; L410-M425 HydrophobicContact CD1-CG 3.64Å; L410-V429 HydrophobicContact CD1-CG2 4.24Å |
| 411 | T | 96.9 | Very high | 93.9 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 161 | 179.2 | 57 | 0 | 0 | 0 | 0 | 110.2 | Q382 E409 V413 | Q382-T411 WeakPolarHBondContact CB-OG1 3.35Å; Q382-T411 PolarHBondContact N-O 2.99Å; Q382-T411 PolarHBondContact O-N 3.42Å; Q382-T411 PolarHBondContact O-OG1 3.43Å; E409-T411 HydrophobicContact CG-CG2 4.01Å; E409-T411 WeakPolarHBondContact OE1-CG2 3.49Å; T411-V413 PolarHBondContact O-N 3.43Å; T411-V413 VanDerWaalsContact O-N 3.15Å |
| 412 | N | 96.6 | Very high | 94.2 | Very high | 118 Ų | 118 | 67.9 Ų | 67.9 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 38.1 | -179.1 | -59.3 | -33.9 | 0 | 0 | 0 | 113.1 | Q382 R414 | Q382-N412 HydrophobicContact CG-CB 4.34Å; N412-R414 PolarHBondContact O-N 3.2Å |
| 413 | V | 96.9 | Very high | 94.4 | Very high | 38 Ų | 38 | 71.2 Ų | 71.2 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 121.2 | 179.3 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | F379 S380 A381 L410 T411 R422 | F379-V413 HydrophobicContact CE2-CG1 3.75Å; S380-V413 WeakPolarHBondContact O-CA 3.27Å; A381-V413 HydrophobicContact CB-CG2 3.91Å; L410-V413 HydrophobicContact CB-CG2 3.91Å; T411-V413 PolarHBondContact O-N 3.43Å; T411-V413 VanDerWaalsContact O-N 3.15Å; V413-R422 HydrophobicContact CB-CB 4.41Å; V413-R422 HydrophobicContact CG2-CB 4.04Å; V413-R422 HydrophobicContact CG2-CG 4.21Å |
| 414 | R | 96.8 | Very high | 94.5 | Very high | 186 Ų | 186 | 73.1 Ų | 73.1 | 70% | 0.702 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.1 | 174.6 | -64 | -178.5 | 179.2 | 176.1 | -1.1 | 108.3 | F379 S380 N412 | F379-R414 CarbonylContact C-O 3.49Å; F379-R414 WeakPolarHBondContact CA-O 3.37Å; S380-R414 PolarHBondContact N-O 3.26Å; S380-R414 PolarHBondContact O-N 3.33Å; N412-R414 PolarHBondContact O-N 3.2Å |
| 415 | S | 95.9 | Very high | 94.6 | Very high | 36 Ų | 36 | 72 Ų | 72 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 144 | 171.5 | -162.2 | 0 | 0 | 0 | 0 | 112.3 | F378 V417 I420 | F378-S415 CarbonylContact O-C 3.54Å; F378-S415 WeakPolarHBondContact O-CA 3.31Å; F378-S415 PolarHBondContact O-OG 3.25Å; S415-V417 VanDerWaalsContact C-N 3.28Å; S415-V417 PolarHBondContact OG-N 2.83Å; S415-I420 WeakPolarHBondContact CB-O 3.21Å |
| 416 | D | 93.7 | Very high | 94.6 | Very high | 112 Ų | 112 | 72 Ų | 72 | 60% | 0.599 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -90.9 | 6 | 172.3 | -56.2 | -27.3 | 0 | 0 | 0 | 111.9 | K331 F378 | K331-D416 PolarHBondContact NZ-O 3.25Å; F378-D416 PolarHBondContact O-N 2.78Å |
| 417 | V | 93.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 75.9 Ų | 75.9 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -117.6 | 124.9 | -178.7 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | L328 K331 Y332 F378 S415 I420 | L328-V417 HydrophobicContact CB-CG1 3.98Å; L328-V417 HydrophobicContact CD1-CG1 4.26Å; L328-V417 HydrophobicContact CD1-CG2 3.89Å; K331-V417 HydrophobicContact CD-CG2 4.22Å; Y332-V417 HydrophobicContact CE2-CG2 3.95Å; F378-V417 HydrophobicContact CB-CG2 4.01Å; F378-V417 HydrophobicContact CD2-CB 4.33Å; F378-V417 HydrophobicContact CD2-CG2 3.76Å; F378-V417 HydrophobicContact CG-CG2 4.1Å; S415-V417 VanDerWaalsContact C-N 3.28Å; S415-V417 PolarHBondContact OG-N 2.83Å; V417-I420 HydrophobicContact CB-CD1 3.83Å; V417-I420 HydrophobicContact CB-CG1 4.18Å; V417-I420 HydrophobicContact CG1-CD1 3.78Å; V417-I420 HydrophobicContact CG1-CG1 4.03Å; V417-I420 PolarHBondContact O-N 3.44Å |
| 418 | E | 91.5 | Very high | 94.5 | Very high | 160 Ų | 160 | 71.6 Ų | 71.6 | 75% | 0.748 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 147 | 179.5 | -168 | 173.3 | -179.7 | 0 | 0 | 111.6 | I420 | E418-I420 PolarHBondContact O-N 2.94Š|
| 419 | G | 91.8 | Very high | 94.3 | Very high | 46 Ų | 46 | 70.1 Ų | 70.1 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -10.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D421 T424 | G419-D421 PolarHBondContact O-N 2.74Å; G419-T424 WeakPolarHBondContact O-CG2 3.5Å; G419-T424 PolarHBondContact O-OG1 3.48Å |
| 420 | I | 93.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 68.1 Ų | 68.1 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | trans | -90 | 87.9 | 173.1 | -55.2 | -169.7 | 0 | 0 | 0 | 109.6 | F325 L328 F378 F379 S415 V417 E418 M425 | F325-I420 HydrophobicContact CB-CD1 4.28Å; F325-I420 HydrophobicContact CB-CG1 4.26Å; F325-I420 HydrophobicContact CD1-CD1 4.24Å; F325-I420 HydrophobicContact CD1-CG1 3.58Å; F325-I420 HydrophobicContact CD2-CD1 4.23Å; F325-I420 HydrophobicContact CD2-CG1 4.44Å; F325-I420 HydrophobicContact CE1-CG1 3.91Å; F325-I420 HydrophobicContact CG-CD1 4Å; F325-I420 HydrophobicContact CG-CG1 3.85Å; F325-I420 HydrophobicContact CZ-CG1 4.46Å; L328-I420 HydrophobicContact CD1-CD1 4.47Å; F378-I420 HydrophobicContact CD2-CD1 4.09Å; F378-I420 HydrophobicContact CE2-CD1 3.57Å; F379-I420 HydrophobicContact CD2-CG2 3.74Å; F379-I420 HydrophobicContact CE2-CG2 4.15Å; S415-I420 WeakPolarHBondContact CB-O 3.21Å; V417-I420 HydrophobicContact CB-CD1 3.83Å; V417-I420 HydrophobicContact CB-CG1 4.18Å; V417-I420 HydrophobicContact CG1-CD1 3.78Å; V417-I420 HydrophobicContact CG1-CG1 4.03Å; V417-I420 PolarHBondContact O-N 3.44Å; E418-I420 PolarHBondContact O-N 2.94Å; I420-M425 HydrophobicContact CG2-CE 3.39Å | ||
| 421 | D | 93.7 | Very high | 93.7 | Very high | 75 Ų | 75 | 73.3 Ų | 73.3 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | trans | -116.2 | -174.8 | 177.7 | 69 | 44.3 | 0 | 0 | 0 | 111.7 | G419 V423 T424 M425 | G419-D421 PolarHBondContact O-N 2.74Å; D421-V423 PolarHBondContact O-N 3.25Å; D421-V423 WeakPolarHBondContact OD1-CA 3.33Å; D421-V423 WeakPolarHBondContact OD1-CB 3.37Å; D421-V423 PolarHBondContact OD1-N 2.71Å; D421-T424 PolarHBondContact N-OG1 2.77Å; D421-T424 VanDerWaalsContact N-OG1 3.08Å; D421-T424 PolarHBondContact O-OG1 2.85Å; D421-T424 PolarHBondContact OD1-N 2.8Å; D421-T424 PolarHBondContact OD1-OG1 3.41Å; D421-M425 WeakPolarHBondContact O-CB 3.44Å; D421-M425 PolarHBondContact O-N 2.91Å; D421-M425 VanDerWaalsContact O-N 3.08Å | ||
| 422 | R | 95.2 | Very high | 93.3 | Very high | 159 Ų | 159 | 72.8 Ų | 72.8 | 60% | 0.6 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | -180 | -177.3 | -177.7 | 66.4 | -174.3 | -0.7 | 112.6 | L410 V413 T426 | L410-R422 HydrophobicContact CB-CG 4.32Å; L410-R422 WeakPolarHBondContact O-CD 3.28Å; L410-R422 WeakPolarHBondContact O-CG 3.39Å; V413-R422 HydrophobicContact CB-CB 4.41Å; V413-R422 HydrophobicContact CG2-CB 4.04Å; V413-R422 HydrophobicContact CG2-CG 4.21Å; R422-T426 VanDerWaalsContact O-CB 3.28Å; R422-T426 WeakPolarHBondContact O-CB 3.43Å; R422-T426 PolarHBondContact O-N 2.9Å; R422-T426 PolarHBondContact O-OG1 3.42Å |
| 423 | V | 93.5 | Very high | 93.1 | Very high | 104 Ų | 104 | 67.8 Ų | 67.8 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70 | -51.7 | -174.9 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | D421 M425 T426 F427 | D421-V423 PolarHBondContact O-N 3.25Å; D421-V423 WeakPolarHBondContact OD1-CA 3.33Å; D421-V423 WeakPolarHBondContact OD1-CB 3.37Å; D421-V423 PolarHBondContact OD1-N 2.71Å; V423-M425 VanDerWaalsContact C-N 3.34Å; V423-M425 PolarHBondContact O-N 2.91Å; V423-T426 PolarHBondContact O-N 3.16Å; V423-F427 PolarHBondContact O-N 3.48Å |
| 424 | T | 92.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 69.2 Ų | 69.2 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | -178.1 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | G419 D421 F427 V428 | G419-T424 WeakPolarHBondContact O-CG2 3.5Å; G419-T424 PolarHBondContact O-OG1 3.48Å; D421-T424 PolarHBondContact N-OG1 2.77Å; D421-T424 VanDerWaalsContact N-OG1 3.08Å; D421-T424 PolarHBondContact O-OG1 2.85Å; D421-T424 PolarHBondContact OD1-N 2.8Å; D421-T424 PolarHBondContact OD1-OG1 3.41Å; T424-F427 PolarHBondContact O-N 3.22Å; T424-V428 PolarHBondContact O-N 2.94Å |
| 425 | M | 93.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.7 | -33.9 | 177.5 | -168.8 | 59.3 | 55.2 | 0 | 0 | 113.1 | F325 M339 F379 L410 I420 D421 V423 F427 V428 V429 | F325-M425 HydrophobicContact CE2-CE 4.24Å; F325-M425 HydrophobicContact CZ-CE 3.95Å; M339-M425 HydrophobicContact CE-SD 4.44Å; F379-M425 HydrophobicContact CD2-CE 4.08Å; F379-M425 HydrophobicContact CE1-CG 4.36Å; F379-M425 HydrophobicContact CE1-SD 4.48Å; F379-M425 HydrophobicContact CE2-CB 4.25Å; F379-M425 HydrophobicContact CE2-CE 3.88Å; F379-M425 HydrophobicContact CE2-CG 3.71Å; F379-M425 HydrophobicContact CE2-SD 4.31Å; F379-M425 HydrophobicContact CZ-CB 4.44Å; F379-M425 HydrophobicContact CZ-CE 4.23Å; F379-M425 HydrophobicContact CZ-CG 3.49Å; F379-M425 VanDerWaalsContact CZ-CG 3.49Å; F379-M425 HydrophobicContact CZ-SD 4.1Å; L410-M425 HydrophobicContact CD1-CB 3.89Å; L410-M425 HydrophobicContact CD1-CG 3.64Å; I420-M425 HydrophobicContact CG2-CE 3.39Å; D421-M425 WeakPolarHBondContact O-CB 3.44Å; D421-M425 PolarHBondContact O-N 2.91Å; D421-M425 VanDerWaalsContact O-N 3.08Å; V423-M425 VanDerWaalsContact C-N 3.34Å; V423-M425 PolarHBondContact O-N 2.91Å; M425-F427 VanDerWaalsContact C-N 3.29Å; M425-F427 PolarHBondContact O-N 3.48Å; M425-V428 PolarHBondContact O-N 2.94Å; M425-V428 HydrophobicContact SD-CB 4.41Å; M425-V428 HydrophobicContact SD-CG1 4.49Å; M425-V429 HydrophobicContact CG-CG2 4.06Å; M425-V429 WeakPolarHBondContact O-CB 3.31Å; M425-V429 VanDerWaalsContact O-CG2 3.24Å; M425-V429 WeakPolarHBondContact O-CG2 3.3Å; M425-V429 PolarHBondContact O-N 2.91Å; M425-V429 HydrophobicContact SD-CG2 4.06Å |
| 426 | T | 94.6 | Very high | 91.8 | Very high | 39 Ų | 39 | 63.5 Ų | 63.5 | 24% | 0.239 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | L408 R422 V423 S430 | L408-T426 HydrophobicContact CD2-CG2 4.04Å; L408-T426 HydrophobicContact CG-CG2 4.31Å; R422-T426 VanDerWaalsContact O-CB 3.28Å; R422-T426 WeakPolarHBondContact O-CB 3.43Å; R422-T426 PolarHBondContact O-N 2.9Å; R422-T426 PolarHBondContact O-OG1 3.42Å; V423-T426 PolarHBondContact O-N 3.16Å; T426-S430 WeakPolarHBondContact O-CB 3.3Å; T426-S430 PolarHBondContact O-N 3.34Å |
| 427 | F | 91.9 | Very high | 91.6 | Very high | 150 Ų | 150 | 59.2 Ų | 59.2 | 66% | 0.658 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.7 | -50.5 | 174.8 | 176.8 | -97.7 | 0 | 0 | 0 | 111.9 | V423 T424 M425 V429 S430 Y431 | V423-F427 PolarHBondContact O-N 3.48Å; T424-F427 PolarHBondContact O-N 3.22Å; M425-F427 VanDerWaalsContact C-N 3.29Å; M425-F427 PolarHBondContact O-N 3.48Å; F427-V429 PolarHBondContact O-N 3.37Å; F427-S430 PolarHBondContact O-N 3.31Å; F427-Y431 PolarHBondContact O-N 2.05Å |
| 428 | V | 90.7 | Very high | 91.4 | Very high | 39 Ų | 39 | 61.8 Ų | 61.8 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 179.8 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | I324 F325 T424 M425 Y431 A432 | I324-V428 HydrophobicContact CG2-CG2 3.88Å; F325-V428 HydrophobicContact CE2-CG2 3.93Å; F325-V428 HydrophobicContact CZ-CG2 3.66Å; T424-V428 PolarHBondContact O-N 2.94Å; M425-V428 PolarHBondContact O-N 2.94Å; M425-V428 HydrophobicContact SD-CB 4.41Å; M425-V428 HydrophobicContact SD-CG1 4.49Å; V428-Y431 PolarHBondContact O-N 3.42Å; V428-A432 WeakPolarHBondContact O-CB 3.33Å; V428-A432 PolarHBondContact O-N 3.06Å |
| 429 | V | 93.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | M364 M383 L408 L410 M425 F427 Y431 A432 L433 | M364-V429 HydrophobicContact CE-CG1 4.44Å; M364-V429 HydrophobicContact CE-CG2 3.54Å; M364-V429 HydrophobicContact SD-CG2 4.26Å; M383-V429 HydrophobicContact SD-CG1 3.88Å; L408-V429 HydrophobicContact CD1-CG1 4.14Å; L408-V429 HydrophobicContact CD2-CB 4.11Å; L408-V429 HydrophobicContact CD2-CG1 3.84Å; L410-V429 HydrophobicContact CD1-CG2 4.24Å; M425-V429 HydrophobicContact CG-CG2 4.06Å; M425-V429 WeakPolarHBondContact O-CB 3.31Å; M425-V429 VanDerWaalsContact O-CG2 3.24Å; M425-V429 WeakPolarHBondContact O-CG2 3.3Å; M425-V429 PolarHBondContact O-N 2.91Å; M425-V429 HydrophobicContact SD-CG2 4.06Å; F427-V429 PolarHBondContact O-N 3.37Å; V429-Y431 VanDerWaalsContact C-N 3.32Å; V429-Y431 PolarHBondContact O-N 2.97Å; V429-A432 PolarHBondContact O-N 3.28Å; V429-L433 HydrophobicContact CG1-CD1 4.2Å; V429-L433 HydrophobicContact CG1-CG 4.3Å; V429-L433 WeakPolarHBondContact O-CB 3.37Å; V429-L433 VanDerWaalsContact O-CG 3.29Å; V429-L433 WeakPolarHBondContact O-CG 3.36Å; V429-L433 PolarHBondContact O-N 2.86Å |
| 430 | S | 92.9 | Very high | 90.9 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 175.6 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | T426 F427 L433 D434 | T426-S430 WeakPolarHBondContact O-CB 3.3Å; T426-S430 PolarHBondContact O-N 3.34Å; F427-S430 PolarHBondContact O-N 3.31Å; S430-L433 PolarHBondContact O-N 3.29Å; S430-D434 PolarHBondContact O-N 2.84Å; S430-D434 VanDerWaalsContact O-N 3.13Å |
| 431 | Y | 88.8 | Confident | 90.6 | Very high | 111 Ų | 111 | 58.5 Ų | 58.5 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 178 | -170.6 | -108 | 0 | 0 | 0 | 112.1 | F427 V428 V429 L433 D434 L435 | F427-Y431 PolarHBondContact O-N 2.05Å; V428-Y431 PolarHBondContact O-N 3.42Å; V429-Y431 VanDerWaalsContact C-N 3.32Å; V429-Y431 PolarHBondContact O-N 2.97Å; Y431-L433 PolarHBondContact O-N 3.46Å; Y431-D434 PolarHBondContact O-N 2.73Å; Y431-L435 HydrophobicContact CD1-CD1 3.71Å; Y431-L435 HydrophobicContact CD1-CG 4.38Å; Y431-L435 HydrophobicContact CE1-CD1 3.13Å; Y431-L435 HydrophobicContact CE1-CG 4.08Å; Y431-L435 HydrophobicContact CE2-CD1 4.23Å; Y431-L435 HydrophobicContact CE2-CG 4.45Å; Y431-L435 HydrophobicContact CG-CD1 4.47Å; Y431-L435 VanDerWaalsContact CZ-CD1 3.43Å; Y431-L435 PolarHBondContact O-N 2.92Å |
| 432 | A | 88.4 | Confident | 90.1 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 21% | 0.207 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V428 V429 L435 L436 | V428-A432 WeakPolarHBondContact O-CB 3.33Å; V428-A432 PolarHBondContact O-N 3.06Å; V429-A432 PolarHBondContact O-N 3.28Å; A432-L435 PolarHBondContact O-N 2.78Å; A432-L436 VanDerWaalsContact O-CB 3.28Å; A432-L436 WeakPolarHBondContact O-CB 3.17Å; A432-L436 PolarHBondContact O-N 3.1Å |
| 433 | L | 92 | Very high | 89.5 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -60.7 | -47 | 174.5 | -75 | 175.1 | 0 | 0 | 0 | 111.2 | L385 F405 L408 V429 S430 Y431 V437 K438 | L385-L433 HydrophobicContact CD1-CD1 3.79Å; L385-L433 HydrophobicContact CD2-CD1 4.06Å; L385-L433 HydrophobicContact CD2-CD2 4.15Å; F405-L433 HydrophobicContact CD2-CB 3.76Å; F405-L433 HydrophobicContact CD2-CD1 4.48Å; F405-L433 HydrophobicContact CE2-CB 3.64Å; F405-L433 WeakPolarHBondContact CE2-O 3.43Å; F405-L433 HydrophobicContact CG-CB 4.44Å; F405-L433 HydrophobicContact CG-CD1 4.37Å; F405-L433 HydrophobicContact CZ-CB 4.25Å; F405-L433 HydrophobicContact CZ-CD2 4.39Å; L408-L433 HydrophobicContact CD1-CD1 4.42Å; L408-L433 HydrophobicContact CD2-CD1 4.33Å; V429-L433 HydrophobicContact CG1-CD1 4.2Å; V429-L433 HydrophobicContact CG1-CG 4.3Å; V429-L433 WeakPolarHBondContact O-CB 3.37Å; V429-L433 VanDerWaalsContact O-CG 3.29Å; V429-L433 WeakPolarHBondContact O-CG 3.36Å; V429-L433 PolarHBondContact O-N 2.86Å; S430-L433 PolarHBondContact O-N 3.29Å; Y431-L433 PolarHBondContact O-N 3.46Å; L433-V437 HydrophobicContact CD2-CB 4.1Å; L433-V437 HydrophobicContact CD2-CG1 4.48Å; L433-V437 HydrophobicContact CD2-CG2 3.72Å; L433-V437 WeakPolarHBondContact O-CA 3.29Å; L433-V437 WeakPolarHBondContact O-CB 3.41Å; L433-V437 PolarHBondContact O-N 3.02Å; L433-K438 PolarHBondContact O-N 3.47Å |
| 434 | D | 89 | Confident | 88.8 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -67.8 | -34 | 179.1 | -87.6 | -42.4 | 0 | 0 | 0 | 113.3 | S430 Y431 K438 P439 | S430-D434 PolarHBondContact O-N 2.84Å; S430-D434 VanDerWaalsContact O-N 3.13Å; Y431-D434 PolarHBondContact O-N 2.73Å; D434-K438 WeakPolarHBondContact OD1-CD 3.32Å; D434-K438 IonicContact OD1-NZ 3.82Å; D434-K438 PolarHBondContact OD1-NZ 3.4Å; D434-P439 VanDerWaalsContact O-CD 3.3Å; D434-P439 WeakPolarHBondContact O-CD 3.28Å |
| 435 | L | 86.1 | Confident | 88 | Confident | 72 Ų | 72 | 60.3 Ų | 60.3 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -84.6 | -38.6 | -179.6 | -74 | -173.1 | 0 | 0 | 0 | 114.6 | F306 Y431 A432 P439 | F306-L435 HydrophobicContact CD2-CD1 4.19Å; F306-L435 HydrophobicContact CE2-CD1 3.81Å; Y431-L435 HydrophobicContact CD1-CD1 3.71Å; Y431-L435 HydrophobicContact CD1-CG 4.38Å; Y431-L435 HydrophobicContact CE1-CD1 3.13Å; Y431-L435 HydrophobicContact CE1-CG 4.08Å; Y431-L435 HydrophobicContact CE2-CD1 4.23Å; Y431-L435 HydrophobicContact CE2-CG 4.45Å; Y431-L435 HydrophobicContact CG-CD1 4.47Å; Y431-L435 VanDerWaalsContact CZ-CD1 3.43Å; Y431-L435 PolarHBondContact O-N 2.92Å; A432-L435 PolarHBondContact O-N 2.78Å; L435-P439 WeakPolarHBondContact O-CG 3.32Å |
| 436 | L | 87.6 | Confident | 86.8 | Confident | 30 Ų | 30 | 68.2 Ų | 68.2 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -102.7 | -47.7 | -171.8 | -58 | 179.1 | 0 | 0 | 0 | 111.6 | V297 T302 F306 A432 D440 | V297-L436 HydrophobicContact CG1-CD1 3.82Å; V297-L436 HydrophobicContact CG2-CD1 4.17Å; T302-L436 HydrophobicContact CG2-CD1 3.96Å; T302-L436 HydrophobicContact CG2-CD2 3.65Å; T302-L436 HydrophobicContact CG2-CG 4.49Å; F306-L436 HydrophobicContact CB-CD2 4.35Å; F306-L436 HydrophobicContact CD1-CD1 4.33Å; F306-L436 HydrophobicContact CD1-CD2 4.37Å; F306-L436 HydrophobicContact CD2-CD2 4.17Å; F306-L436 HydrophobicContact CE1-CD1 4.07Å; F306-L436 HydrophobicContact CG-CD2 4.04Å; F306-L436 HydrophobicContact CZ-CD1 4.28Å; A432-L436 VanDerWaalsContact O-CB 3.28Å; A432-L436 WeakPolarHBondContact O-CB 3.17Å; A432-L436 PolarHBondContact O-N 3.1Å; L436-D440 WeakPolarHBondContact O-CB 3.48Å |
| 437 | V | 89.5 | Confident | 85.5 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -85.2 | -48.4 | -168.3 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | M295 F405 L433 D440 M441 | M295-V437 HydrophobicContact CE-CG2 3.76Å; M295-V437 HydrophobicContact SD-CG2 3.92Å; F405-V437 HydrophobicContact CE1-CG1 4.49Å; F405-V437 HydrophobicContact CZ-CB 4.04Å; F405-V437 HydrophobicContact CZ-CG1 3.89Å; L433-V437 HydrophobicContact CD2-CB 4.1Å; L433-V437 HydrophobicContact CD2-CG1 4.48Å; L433-V437 HydrophobicContact CD2-CG2 3.72Å; L433-V437 WeakPolarHBondContact O-CA 3.29Å; L433-V437 WeakPolarHBondContact O-CB 3.41Å; L433-V437 PolarHBondContact O-N 3.02Å; V437-D440 PolarHBondContact O-N 3.31Å; V437-M441 HydrophobicContact CG1-CG 4.06Å; V437-M441 HydrophobicContact CG1-SD 3.8Å; V437-M441 WeakPolarHBondContact O-CB 3.33Å; V437-M441 WeakPolarHBondContact O-CG 3.34Å; V437-M441 PolarHBondContact O-N 3.48Å |
| 438 | K | 89.2 | Confident | 84.5 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | -178.8 | -174.3 | 175.7 | -176.2 | -179.9 | 0 | 112.8 | F405 L433 D434 D440 M441 Q442 | F405-K438 HydrophobicContact CE2-CB 3.84Å; F405-K438 HydrophobicContact CZ-CB 4.31Å; L433-K438 PolarHBondContact O-N 3.47Å; D434-K438 WeakPolarHBondContact OD1-CD 3.32Å; D434-K438 IonicContact OD1-NZ 3.82Å; D434-K438 PolarHBondContact OD1-NZ 3.4Å; K438-D440 VanDerWaalsContact C-N 3.34Å; K438-D440 PolarHBondContact O-N 3.36Å; K438-M441 PolarHBondContact O-N 3.1Å; K438-Q442 HydrophobicContact CG-CG 4.43Å; K438-Q442 VanDerWaalsContact O-CB 3.29Å; K438-Q442 WeakPolarHBondContact O-CB 3.34Å; K438-Q442 WeakPolarHBondContact O-CG 3.31Å; K438-Q442 PolarHBondContact O-N 2.91Å |
| 439 | P | 87.4 | Confident | 83.8 | Confident | 50 Ų | 50 | 64 Ų | 64 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68 | -35.4 | -179.8 | -22.3 | 38.1 | 0 | 0 | 0 | 112 | D434 L435 R443 | D434-P439 VanDerWaalsContact O-CD 3.3Å; D434-P439 WeakPolarHBondContact O-CD 3.28Å; L435-P439 WeakPolarHBondContact O-CG 3.32Å; P439-R443 VanDerWaalsContact O-CB 3.32Å; P439-R443 WeakPolarHBondContact O-CB 3.25Å; P439-R443 PolarHBondContact O-N 3.25Å |
| 440 | D | 85.6 | Confident | 83.1 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 24% | 0.235 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.1 | -46.6 | 175.8 | -177.2 | 57.1 | 0 | 0 | 0 | 111.9 | L436 V437 K438 Q442 R443 K444 | L436-D440 WeakPolarHBondContact O-CB 3.48Å; V437-D440 PolarHBondContact O-N 3.31Å; K438-D440 VanDerWaalsContact C-N 3.34Å; K438-D440 PolarHBondContact O-N 3.36Å; D440-Q442 PolarHBondContact O-N 2.82Å; D440-R443 WeakPolarHBondContact O-CB 3.45Å; D440-R443 PolarHBondContact O-N 2.75Å; D440-R443 IonicContact OD1-NH1 3.59Å; D440-R443 PolarHBondContact OD1-NH1 3.2Å; D440-K444 WeakPolarHBondContact O-CG 3.43Å; D440-K444 PolarHBondContact O-N 2.75Å; D440-K444 IonicContact OD1-NZ 3.57Å; D440-K444 WeakPolarHBondContact OD2-CE 3.32Å; D440-K444 IonicContact OD2-NZ 3.58Å; D440-K444 PolarHBondContact OD2-NZ 2.67Å |
| 441 | M | 86.2 | Confident | 82.4 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.3 | -69.2 | -176.6 | 71.3 | 0 | 0 | 111.4 | T387 I403 F405 V437 K438 R443 K444 L445 | T387-M441 HydrophobicContact CG2-CE 4.4Å; I403-M441 HydrophobicContact CD1-CB 3.4Å; I403-M441 VanDerWaalsContact CD1-CB 3.4Å; I403-M441 HydrophobicContact CD1-CE 3.75Å; I403-M441 HydrophobicContact CD1-CG 4.4Å; I403-M441 HydrophobicContact CD1-SD 4.28Å; I403-M441 HydrophobicContact CG1-CE 4.46Å; I403-M441 HydrophobicContact CG2-CE 4.44Å; I403-M441 HydrophobicContact CG2-SD 4.5Å; F405-M441 HydrophobicContact CE1-SD 4.44Å; F405-M441 HydrophobicContact CZ-SD 4.44Å; V437-M441 HydrophobicContact CG1-CG 4.06Å; V437-M441 HydrophobicContact CG1-SD 3.8Å; V437-M441 WeakPolarHBondContact O-CB 3.33Å; V437-M441 WeakPolarHBondContact O-CG 3.34Å; V437-M441 PolarHBondContact O-N 3.48Å; K438-M441 PolarHBondContact O-N 3.1Å; M441-R443 VanDerWaalsContact C-N 3.31Å; M441-R443 PolarHBondContact O-N 3.14Å; M441-K444 PolarHBondContact O-N 2.9Å; M441-L445 WeakPolarHBondContact O-CB 3.39Å; M441-L445 WeakPolarHBondContact O-CG 3.34Å; M441-L445 PolarHBondContact O-N 2.96Å |
| 442 | Q | 83 | Confident | 81.6 | Confident | 73 Ų | 73 | 63 Ų | 63 | 34% | 0.341 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 174.8 | -76.8 | 176.9 | -15.6 | 0 | 0 | 111.5 | K438 D440 L445 K446 | K438-Q442 HydrophobicContact CG-CG 4.43Å; K438-Q442 VanDerWaalsContact O-CB 3.29Å; K438-Q442 WeakPolarHBondContact O-CB 3.34Å; K438-Q442 WeakPolarHBondContact O-CG 3.31Å; K438-Q442 PolarHBondContact O-N 2.91Å; D440-Q442 PolarHBondContact O-N 2.82Å; Q442-L445 CarbonylContact O-C 3.53Å; Q442-L445 PolarHBondContact O-N 3.49Å; Q442-K446 WeakPolarHBondContact O-CB 3.49Å; Q442-K446 VanDerWaalsContact O-CG 3.32Å; Q442-K446 WeakPolarHBondContact O-CG 3.14Å; Q442-K446 PolarHBondContact O-N 3.1Å |
| 443 | R | 82.9 | Confident | 80.9 | Confident | 163 Ų | 163 | 66.2 Ų | 66.2 | 62% | 0.615 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 175.4 | -168.6 | -171.7 | -54.5 | 124.7 | -1.3 | 111.5 | P439 D440 M441 L445 K446 | P439-R443 VanDerWaalsContact O-CB 3.32Å; P439-R443 WeakPolarHBondContact O-CB 3.25Å; P439-R443 PolarHBondContact O-N 3.25Å; D440-R443 WeakPolarHBondContact O-CB 3.45Å; D440-R443 PolarHBondContact O-N 2.75Å; D440-R443 IonicContact OD1-NH1 3.59Å; D440-R443 PolarHBondContact OD1-NH1 3.2Å; M441-R443 VanDerWaalsContact C-N 3.31Å; M441-R443 PolarHBondContact O-N 3.14Å; R443-L445 VanDerWaalsContact C-N 3.33Å; R443-K446 PolarHBondContact O-N 3.11Å |
| 444 | K | 79.5 | Confident | 79.6 | Confident | 145 Ų | 145 | 67.1 Ų | 67.1 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.9 | -36.4 | 176.1 | -70.5 | 169.1 | 177.4 | 165.8 | 0 | 112.1 | D440 M441 | D440-K444 WeakPolarHBondContact O-CG 3.43Å; D440-K444 PolarHBondContact O-N 2.75Å; D440-K444 IonicContact OD1-NZ 3.57Å; D440-K444 WeakPolarHBondContact OD2-CE 3.32Å; D440-K444 IonicContact OD2-NZ 3.58Å; D440-K444 PolarHBondContact OD2-NZ 2.67Å; M441-K444 PolarHBondContact O-N 2.9Å |
| 445 | L | 75.7 | Confident | 78.6 | Confident | 42 Ų | 42 | 65 Ų | 65 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -78.9 | -21.8 | 175.3 | -70.6 | -170.9 | 0 | 0 | 0 | 114 | I403 M441 Q442 R443 G447 G448 | I403-L445 HydrophobicContact CD1-CD1 3.32Å; I403-L445 HydrophobicContact CD1-CG 4.16Å; I403-L445 HydrophobicContact CG1-CD1 3.7Å; M441-L445 WeakPolarHBondContact O-CB 3.39Å; M441-L445 WeakPolarHBondContact O-CG 3.34Å; M441-L445 PolarHBondContact O-N 2.96Å; Q442-L445 CarbonylContact O-C 3.53Å; Q442-L445 PolarHBondContact O-N 3.49Å; R443-L445 VanDerWaalsContact C-N 3.33Å; L445-G447 VanDerWaalsContact C-N 3.26Å; L445-G447 PolarHBondContact O-N 2.97Å; L445-G448 WeakPolarHBondContact O-CA 3.49Å; L445-G448 PolarHBondContact O-N 3.4Å |
| 446 | K | 68.2 | Low | 77.9 | Confident | 172 Ų | 172 | 64.2 Ų | 64.2 | 75% | 0.748 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.9 | -33 | 177.3 | -88.7 | -177.4 | -178.1 | -174.2 | 0 | 112.3 | Q442 R443 G448 | Q442-K446 WeakPolarHBondContact O-CB 3.49Å; Q442-K446 VanDerWaalsContact O-CG 3.32Å; Q442-K446 WeakPolarHBondContact O-CG 3.14Å; Q442-K446 PolarHBondContact O-N 3.1Å; R443-K446 PolarHBondContact O-N 3.11Å; K446-G448 PolarHBondContact O-N 3.08Å |
| 447 | G | 67.8 | Low | 77.6 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 54% | 0.536 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y398 L445 | Y398-G447 WeakPolarHBondContact CD1-O 3.47Å; L445-G447 VanDerWaalsContact C-N 3.26Å; L445-G447 PolarHBondContact O-N 2.97Å |
| 448 | G | 70.1 | Confident | 77.4 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | trans | 65 | 164.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A399 L445 K446 | A399-G448 CarbonylContact O-C 3.46Å; A399-G448 WeakPolarHBondContact O-CA 3.4Å; L445-G448 WeakPolarHBondContact O-CA 3.49Å; L445-G448 PolarHBondContact O-N 3.4Å; K446-G448 PolarHBondContact O-N 3.08Å | ||
| 449 | M | 76.2 | Confident | 77.3 | Confident | 69 Ų | 69 | 60 Ų | 60 | 34% | 0.34 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121.8 | 171.5 | -71.7 | -179.1 | 62.8 | 0 | 0 | 109.6 | L210 L283 Y398 A399 I451 | L210-M449 HydrophobicContact CD1-CE 4.3Å; L283-M449 HydrophobicContact CD2-CE 3.48Å; L283-M449 VanDerWaalsContact CD2-CE 3.48Å; L283-M449 HydrophobicContact CD2-SD 4.04Å; Y398-M449 WeakPolarHBondContact CA-O 3.47Å; A399-M449 PolarHBondContact N-O 2.77Å; A399-M449 PolarHBondContact O-N 3.17Å; M449-I451 PolarHBondContact O-N 3.45Å |
| 450 | K | 80.1 | Confident | 77.4 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 126.4 | 179.5 | -171.3 | 171.9 | -179.2 | 175.4 | 0 | 111 | L208 Y398 | L208-K450 HydrophobicContact CD1-CD 4.03Å; L208-K450 HydrophobicContact CD1-CG 4.46Å; L208-K450 HydrophobicContact CD2-CG 4.36Å; Y398-K450 HydrophobicContact CD1-CB 4.28Å; Y398-K450 HydrophobicContact CE1-CB 4Å; Y398-K450 HydrophobicContact CE1-CG 4.41Å |
| 451 | I | 77.5 | Confident | 77.5 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 140.4 | 173.4 | -56.8 | -175.7 | 0 | 0 | 0 | 109 | L273 V394 Y397 A399 M449 K453 | L273-I451 HydrophobicContact CD1-CG2 3.94Å; V394-I451 HydrophobicContact CB-CD1 4.24Å; V394-I451 HydrophobicContact CG1-CD1 3.62Å; V394-I451 HydrophobicContact CG2-CD1 3.5Å; Y397-I451 PolarHBondContact O-N 2.93Å; A399-I451 HydrophobicContact CB-CD1 4.14Å; A399-I451 HydrophobicContact CB-CG1 4.28Å; M449-I451 PolarHBondContact O-N 3.45Å; I451-K453 PolarHBondContact O-N 3.45Å |
| 452 | P | 72.2 | Confident | 77.7 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 24% | 0.24 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 130.1 | 177.6 | 23.1 | -33.4 | 0 | 0 | 0 | 112.4 | L208 | L208-P452 HydrophobicContact CD2-CB 4.16Š|
| 453 | K | 73.2 | Confident | 78.1 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 40% | 0.4 | 29% | 0.29 | S | S | . | . | trans | -92.6 | 106.5 | 168.5 | -176.8 | 168.5 | 179.1 | 172.4 | 0 | 108.7 | Y397 I451 T455 E458 | Y397-K453 HydrophobicContact CE2-CD 4.49Å; I451-K453 PolarHBondContact O-N 3.45Å; K453-T455 WeakPolarHBondContact CE-O 3.42Å; K453-T455 WeakPolarHBondContact CG-O 3.42Å; K453-E458 IonicContact NZ-OE1 3.85Å; K453-E458 PolarHBondContact NZ-OE1 2.8Å; K453-E458 IonicContact NZ-OE2 2.64Å; K453-E458 PolarHBondContact NZ-OE2 3.33Å | ||
| 454 | A | 65 | Low | 78.5 | Confident | 30 Ų | 30 | 49 Ų | 49 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | trans | -81.5 | -15.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M203 | M203-A454 HydrophobicContact CE-CB 3.23Š| ||
| 455 | T | 68.2 | Low | 79 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -150 | 157.8 | -168 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | I200 K453 L457 L477 | I200-T455 WeakPolarHBondContact O-CA 3.39Å; I200-T455 WeakPolarHBondContact O-CB 3.46Å; I200-T455 PolarHBondContact O-OG1 3.48Å; K453-T455 WeakPolarHBondContact CE-O 3.42Å; K453-T455 WeakPolarHBondContact CG-O 3.42Å; T455-L457 HydrophobicContact CG2-CB 3.78Å; T455-L457 PolarHBondContact O-N 2.87Å; T455-L457 PolarHBondContact OG1-N 3.41Å; T455-L457 VanDerWaalsContact OG1-N 3.14Å; T455-L477 HydrophobicContact CG2-CD2 4.23Å |
| 456 | I | 71.6 | Confident | 79.8 | Confident | 55 Ų | 55 | 42 Ų | 42 | 28% | 0.282 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -66.2 | -20.1 | 167.9 | 62.9 | -174.7 | 0 | 0 | 0 | 112.4 | L42 S199 I200 Y479 | L42-I456 HydrophobicContact CD1-CD1 4.24Å; S199-I456 WeakPolarHBondContact O-CG2 3.4Å; I200-I456 HydrophobicContact CG1-CD1 3.99Å; I200-I456 HydrophobicContact CG1-CG1 4.39Å; I456-Y479 HydrophobicContact CD1-CD2 4.33Å; I456-Y479 HydrophobicContact CD1-CE2 3.72Å; I456-Y479 HydrophobicContact CG1-CD2 4.42Å; I456-Y479 HydrophobicContact CG1-CE2 4.2Å |
| 457 | L | 80.5 | Confident | 80.8 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -64.7 | 138.9 | 174.9 | -64.7 | 169.5 | 0 | 0 | 0 | 109.6 | V35 T38 T455 L477 C478 Y479 | V35-L457 HydrophobicContact CG2-CD1 3.73Å; T38-L457 HydrophobicContact CG2-CD2 4Å; T455-L457 HydrophobicContact CG2-CB 3.78Å; T455-L457 PolarHBondContact O-N 2.87Å; T455-L457 PolarHBondContact OG1-N 3.41Å; T455-L457 VanDerWaalsContact OG1-N 3.14Å; L457-L477 HydrophobicContact CB-CB 4.24Å; L457-L477 HydrophobicContact CB-CD2 3.93Å; L457-L477 HydrophobicContact CD1-CB 4.15Å; L457-L477 HydrophobicContact CD1-CD1 3.88Å; L457-L477 HydrophobicContact CD1-CD2 4.5Å; L457-L477 HydrophobicContact CD1-CG 4.41Å; L457-C478 CarbonylContact C-O 3.53Å; L457-C478 WeakPolarHBondContact CA-O 3.3Å; L457-Y479 HydrophobicContact CD2-CD2 3.98Å; L457-Y479 HydrophobicContact CD2-CG 4.28Å |
| 458 | E | 85.6 | Confident | 81.9 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.4 | 178.1 | -61.8 | -59 | 164.1 | 0 | 0 | 111 | Y397 K453 L477 C478 Q480 V488 | Y397-E458 WeakPolarHBondContact CE2-OE2 3.35Å; Y397-E458 VanDerWaalsContact OH-CA 3.3Å; Y397-E458 WeakPolarHBondContact OH-CA 3.44Å; Y397-E458 PolarHBondContact OH-OE2 3.12Å; K453-E458 IonicContact NZ-OE1 3.85Å; K453-E458 PolarHBondContact NZ-OE1 2.8Å; K453-E458 IonicContact NZ-OE2 2.64Å; K453-E458 PolarHBondContact NZ-OE2 3.33Å; E458-L477 CarbonylContact O-C 3.56Å; E458-L477 WeakPolarHBondContact O-CA 3.39Å; E458-C478 PolarHBondContact N-O 2.84Å; E458-C478 PolarHBondContact O-N 3.44Å; E458-Q480 HydrophobicContact CG-CG 3.96Å; E458-V488 HydrophobicContact CB-CG1 3.94Å; E458-V488 HydrophobicContact CB-CG2 4.09Å; E458-V488 HydrophobicContact CG-CG1 3.89Å; E458-V488 HydrophobicContact CG-CG2 4.33Å |
| 459 | M | 87.4 | Confident | 82.8 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 129.4 | 164.9 | 176.7 | 170.6 | 84.5 | 0 | 0 | 109.4 | V394 Y397 V473 F475 V488 G489 A491 | V394-M459 HydrophobicContact CB-CE 4.2Å; V394-M459 HydrophobicContact CG1-CE 3.78Å; Y397-M459 HydrophobicContact CE1-CB 3.66Å; Y397-M459 PolarHBondContact OH-N 3.16Å; M459-V473 HydrophobicContact SD-CG1 4.21Å; M459-F475 HydrophobicContact CB-CD2 3.87Å; M459-F475 HydrophobicContact CB-CE2 4.18Å; M459-F475 HydrophobicContact CB-CG 4.27Å; M459-F475 HydrophobicContact CG-CB 3.49Å; M459-F475 VanDerWaalsContact CG-CB 3.49Å; M459-F475 HydrophobicContact CG-CD1 4.1Å; M459-F475 HydrophobicContact CG-CD2 3.58Å; M459-F475 HydrophobicContact CG-CE2 4.25Å; M459-F475 HydrophobicContact CG-CG 3.47Å; M459-F475 VanDerWaalsContact CG-CG 3.47Å; M459-F475 HydrophobicContact SD-CB 3.96Å; M459-F475 HydrophobicContact SD-CD1 3.76Å; M459-F475 HydrophobicContact SD-CD2 4.29Å; M459-F475 HydrophobicContact SD-CE1 4.26Å; M459-F475 HydrophobicContact SD-CG 3.77Å; M459-V488 CarbonylContact O-C 3.43Å; M459-V488 WeakPolarHBondContact O-CA 3.29Å; M459-G489 WeakPolarHBondContact CE-O 3.27Å; M459-G489 PolarHBondContact O-N 2.82Å; M459-A491 HydrophobicContact CE-CB 4.22Å |
| 460 | T | 89.2 | Confident | 83.5 | Confident | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 160.7 | 172 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | G462 Q476 C478 M487 V488 | T460-G462 PolarHBondContact O-N 2.89Å; T460-G462 VanDerWaalsContact O-N 3.16Å; T460-Q476 PolarHBondContact N-O 2.85Å; T460-Q476 PolarHBondContact O-N 2.88Å; T460-Q476 PolarHBondContact OG1-O 2.92Å; T460-C478 HydrophobicContact CG2-CB 3.99Å; T460-M487 HydrophobicContact CG2-CB 4.35Å; T460-V488 HydrophobicContact CG2-CG2 4.17Å |
| 461 | N | 88.2 | Confident | 84.1 | Confident | 96 Ų | 96 | 36.3 Ų | 36.3 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.6 | 42.1 | 178.4 | -67.9 | -40.7 | 0 | 0 | 0 | 113.4 | Q476 M487 | N461-Q476 HydrophobicContact CB-CB 4.38Å; N461-Q476 HydrophobicContact CB-CG 3.85Å; N461-M487 PolarHBondContact OD1-SD 2.75Å |
| 462 | G | 89.6 | Confident | 84.7 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 144 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T460 S474 N490 A491 R492 | T460-G462 PolarHBondContact O-N 2.89Å; T460-G462 VanDerWaalsContact O-N 3.16Å; G462-S474 CarbonylContact C-O 3.57Å; G462-S474 WeakPolarHBondContact CA-O 3.07Å; G462-N490 WeakPolarHBondContact CA-O 3.49Å; G462-N490 PolarHBondContact N-O 3.17Å; G462-N490 VanDerWaalsContact N-O 3.12Å; G462-A491 VanDerWaalsContact C-CA 3.47Å; G462-A491 VanDerWaalsContact C-CB 3.41Å; G462-A491 VanDerWaalsContact CA-CB 3.49Å; G462-A491 CarbonylContact O-C 3.58Å; G462-A491 WeakPolarHBondContact O-CA 3.38Å; G462-R492 PolarHBondContact O-N 2.91Å |
| 463 | L | 91 | Very high | 85.6 | Confident | 36 Ų | 36 | 34 Ų | 34 | 19% | 0.188 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 128.7 | 173.3 | -173.1 | 70.7 | 0 | 0 | 0 | 109.7 | H267 T465 V473 S474 R492 V494 | H267-L463 WeakPolarHBondContact CD2-CD2 3.45Å; H267-L463 WeakPolarHBondContact NE2-CD2 3.28Å; L463-T465 HydrophobicContact CD2-CG2 4.15Å; L463-T465 HydrophobicContact CG-CG2 4.2Å; L463-V473 CarbonylContact O-C 3.49Å; L463-V473 WeakPolarHBondContact O-CA 2.76Å; L463-S474 PolarHBondContact N-O 2.77Å; L463-S474 PolarHBondContact O-N 3.3Å; L463-R492 CarbonylContact C-O 3.51Å; L463-R492 WeakPolarHBondContact CA-O 3.18Å; L463-V494 HydrophobicContact CD1-CG2 3.65Å; L463-V494 HydrophobicContact CD2-CG2 3.86Å; L463-V494 HydrophobicContact CG-CG2 3.91Å |
| 464 | V | 91.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.2 | 176.4 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | V392 V394 L471 V473 A491 R492 V494 | V392-V464 HydrophobicContact CB-CG1 4.05Å; V392-V464 HydrophobicContact CG1-CG1 3.94Å; V394-V464 HydrophobicContact CG2-CG2 3.85Å; V464-L471 HydrophobicContact CG1-CD1 3.59Å; V464-L471 HydrophobicContact CG1-CG 4.4Å; V464-V473 HydrophobicContact CG2-CG2 4.44Å; V464-A491 HydrophobicContact CG2-CB 3.66Å; V464-R492 PolarHBondContact N-O 2.88Å; V464-V494 PolarHBondContact O-N 3.38Å |
| 465 | T | 91.4 | Very high | 87.7 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.9 | 173.3 | 68 | 0 | 0 | 0 | 0 | 109.8 | L463 V472 V494 | L463-T465 HydrophobicContact CD2-CG2 4.15Å; L463-T465 HydrophobicContact CG-CG2 4.2Å; T465-V472 PolarHBondContact N-O 3.17Å; T465-V472 PolarHBondContact O-N 3.09Å; T465-V472 WeakPolarHBondContact OG1-CB 3.31Å; T465-V494 HydrophobicContact CG2-CG2 3.54Å |
| 466 | I | 91.6 | Very high | 88.8 | Confident | 17 Ų | 17 | 31.2 Ų | 31.2 | 9% | 0.087 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 115.9 | 172 | -53.3 | 164.1 | 0 | 0 | 0 | 105.9 | F351 K352 P353 G354 I356 V392 L471 | F351-I466 HydrophobicContact CB-CG2 4.09Å; F351-I466 HydrophobicContact CD2-CG2 4.5Å; K352-I466 WeakPolarHBondContact O-CG2 3.5Å; P353-I466 WeakPolarHBondContact CA-O 3.17Å; G354-I466 PolarHBondContact N-O 3.4Å; I356-I466 HydrophobicContact CG1-CD1 4.16Å; I356-I466 HydrophobicContact CG1-CG2 4.24Å; V392-I466 HydrophobicContact CG2-CD1 3.89Å; I466-L471 HydrophobicContact CG1-CD1 3.64Å |
| 467 | Q | 90.1 | Very high | 89.6 | Confident | 54 Ų | 54 | 29.1 Ų | 29.1 | 25% | 0.252 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 167.4 | 177.7 | -63.5 | -177.1 | -3.7 | 0 | 0 | 108.6 | D469 R470 V472 | Q467-D469 PolarHBondContact O-N 2.79Å; Q467-D469 VanDerWaalsContact O-N 3.14Å; Q467-R470 HydrophobicContact CB-CG 3.94Å; Q467-R470 PolarHBondContact N-O 2.87Å; Q467-R470 PolarHBondContact O-N 2.83Å; Q467-V472 HydrophobicContact CG-CG2 4.31Å |
| 468 | P | 90 | Very high | 90 | Very high | 82 Ų | 82 | 30.1 Ų | 30.1 | 53% | 0.532 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 124.2 | 172.4 | -27.5 | 36.5 | 0 | 0 | 0 | 111.1 | F351 P353 R470 | F351-P468 WeakPolarHBondContact O-CA 3.19Å; P353-P468 HydrophobicContact CG-CG 4.14Å; P468-R470 PolarHBondContact O-N 3.04Å |
| 469 | D | 89.4 | Confident | 90 | Very high | 78 Ų | 78 | 32.5 Ų | 32.5 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 2.1 | 177.8 | -60.4 | -51.8 | 0 | 0 | 0 | 117.7 | S276 N277 F351 Q467 | S276-D469 CarbonylContact C-O 3.6Å; S276-D469 WeakPolarHBondContact CA-O 3.22Å; N277-D469 PolarHBondContact N-O 3.33Å; N277-D469 PolarHBondContact ND2-OD1 3.44Å; N277-D469 VanDerWaalsContact ND2-OD1 3.09Å; F351-D469 PolarHBondContact O-N 3.16Å; Q467-D469 PolarHBondContact O-N 2.79Å; Q467-D469 VanDerWaalsContact O-N 3.14Å |
| 470 | R | 91 | Very high | 89.6 | Confident | 54 Ų | 54 | 37.3 Ų | 37.3 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 140.9 | -177.5 | 69.3 | -169.1 | -174.5 | -168.7 | -5.8 | 115.1 | L258 P259 M275 Q467 P468 V472 | L258-R470 HydrophobicContact CD1-CB 3.82Å; P259-R470 PolarHBondContact O-NH1 2.84Å; M275-R470 CarbonylContact O-C 3.56Å; M275-R470 VanDerWaalsContact O-CA 3.29Å; M275-R470 WeakPolarHBondContact O-CA 3.08Å; Q467-R470 HydrophobicContact CB-CG 3.94Å; Q467-R470 PolarHBondContact N-O 2.87Å; Q467-R470 PolarHBondContact O-N 2.83Å; P468-R470 PolarHBondContact O-N 3.04Å; R470-V472 HydrophobicContact CG-CG2 4.11Å |
| 471 | L | 91.5 | Very high | 89.1 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.3 | 169.4 | -178.7 | 74.3 | 0 | 0 | 0 | 107.3 | L274 M275 F351 V392 V464 I466 V473 | L274-L471 CarbonylContact C-O 3.47Å; L274-L471 WeakPolarHBondContact CA-O 3.46Å; M275-L471 HydrophobicContact CE-CB 4.13Å; M275-L471 HydrophobicContact CE-CD2 3.6Å; M275-L471 PolarHBondContact N-O 2.93Å; M275-L471 PolarHBondContact O-N 2.89Å; F351-L471 HydrophobicContact CD2-CB 4.08Å; F351-L471 VanDerWaalsContact CD2-N 3.34Å; F351-L471 HydrophobicContact CE2-CB 3.62Å; V392-L471 HydrophobicContact CG1-CD1 4.49Å; V464-L471 HydrophobicContact CG1-CD1 3.59Å; V464-L471 HydrophobicContact CG1-CG 4.4Å; I466-L471 HydrophobicContact CG1-CD1 3.64Å; L471-V473 HydrophobicContact CD2-CG2 4.46Å; L471-V473 HydrophobicContact CG-CG2 4.5Å |
| 472 | V | 91 | Very high | 88.6 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.7 | 178 | -171 | 0 | 0 | 0 | 0 | 109 | L273 L274 T465 Q467 R470 | L273-V472 CarbonylContact O-C 3.55Å; L273-V472 WeakPolarHBondContact O-CA 3.21Å; L274-V472 HydrophobicContact CG-CG1 4.4Å; L274-V472 HydrophobicContact CG-CG2 4.27Å; T465-V472 PolarHBondContact N-O 3.17Å; T465-V472 PolarHBondContact O-N 3.09Å; T465-V472 WeakPolarHBondContact OG1-CB 3.31Å; Q467-V472 HydrophobicContact CG-CG2 4.31Å; R470-V472 HydrophobicContact CG-CG2 4.11Å |
| 473 | V | 90.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 107.5 | 171.7 | -173.1 | 0 | 0 | 0 | 0 | 107.5 | L273 V394 M459 L463 V464 L471 F475 A491 | L273-V473 HydrophobicContact CB-CB 4.4Å; L273-V473 PolarHBondContact N-O 2.84Å; L273-V473 PolarHBondContact O-N 3.34Å; V394-V473 HydrophobicContact CG2-CG1 4.48Å; M459-V473 HydrophobicContact SD-CG1 4.21Å; L463-V473 CarbonylContact O-C 3.49Å; L463-V473 WeakPolarHBondContact O-CA 2.76Å; V464-V473 HydrophobicContact CG2-CG2 4.44Å; L471-V473 HydrophobicContact CD2-CG2 4.46Å; L471-V473 HydrophobicContact CG-CG2 4.5Å; V473-F475 HydrophobicContact CG1-CD1 4.22Å; V473-A491 HydrophobicContact CG1-CB 4.27Å |
| 474 | S | 91.4 | Very high | 88 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.3 | 179.8 | -51.7 | 0 | 0 | 0 | 0 | 109.6 | V271 H272 G462 L463 | V271-S474 CarbonylContact O-C 3.54Å; V271-S474 VanDerWaalsContact O-CA 3.3Å; V271-S474 WeakPolarHBondContact O-CA 2.98Å; H272-S474 WeakPolarHBondContact ND1-CB 3.28Å; H272-S474 PolarHBondContact ND1-OG 3.29Å; G462-S474 CarbonylContact C-O 3.57Å; G462-S474 WeakPolarHBondContact CA-O 3.07Å; L463-S474 PolarHBondContact N-O 2.77Å; L463-S474 PolarHBondContact O-N 3.3Å |
| 475 | F | 90.9 | Very high | 87.4 | Confident | 26 Ų | 26 | 56 Ų | 56 | 11% | 0.114 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 165.8 | -175.2 | 57.3 | -89.6 | 0 | 0 | 0 | 114.1 | M270 V271 L273 M459 V473 L477 | M270-F475 PolarHBondContact N-O 3.02Å; V271-F475 HydrophobicContact CB-CD1 4.34Å; V271-F475 HydrophobicContact CB-CD2 4.02Å; V271-F475 HydrophobicContact CB-CE1 3.97Å; V271-F475 HydrophobicContact CB-CE2 3.62Å; V271-F475 HydrophobicContact CB-CG 4.38Å; V271-F475 HydrophobicContact CB-CZ 3.6Å; V271-F475 HydrophobicContact CG1-CD1 4.48Å; V271-F475 HydrophobicContact CG1-CE1 3.68Å; V271-F475 HydrophobicContact CG1-CE2 3.91Å; V271-F475 HydrophobicContact CG1-CZ 3.35Å; V271-F475 HydrophobicContact CG2-CD2 4.45Å; V271-F475 HydrophobicContact CG2-CE2 3.92Å; V271-F475 HydrophobicContact CG2-CZ 4.23Å; V271-F475 PolarHBondContact N-O 3.17Å; V271-F475 PolarHBondContact O-N 2.95Å; L273-F475 HydrophobicContact CB-CE1 4.32Å; M459-F475 HydrophobicContact CB-CD2 3.87Å; M459-F475 HydrophobicContact CB-CE2 4.18Å; M459-F475 HydrophobicContact CB-CG 4.27Å; M459-F475 HydrophobicContact CG-CB 3.49Å; M459-F475 VanDerWaalsContact CG-CB 3.49Å; M459-F475 HydrophobicContact CG-CD1 4.1Å; M459-F475 HydrophobicContact CG-CD2 3.58Å; M459-F475 HydrophobicContact CG-CE2 4.25Å; M459-F475 HydrophobicContact CG-CG 3.47Å; M459-F475 VanDerWaalsContact CG-CG 3.47Å; M459-F475 HydrophobicContact SD-CB 3.96Å; M459-F475 HydrophobicContact SD-CD1 3.76Å; M459-F475 HydrophobicContact SD-CD2 4.29Å; M459-F475 HydrophobicContact SD-CE1 4.26Å; M459-F475 HydrophobicContact SD-CG 3.77Å; V473-F475 HydrophobicContact CG1-CD1 4.22Å; F475-L477 HydrophobicContact CD2-CD2 4.21Å; F475-L477 HydrophobicContact CE2-CD2 3.73Å |
| 476 | Q | 91.3 | Very high | 86.9 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 152.1 | 172.1 | -52.8 | -59.3 | -9 | 0 | 0 | 110.7 | A268 M270 T460 N461 | A268-Q476 PolarHBondContact O-NE2 3.03Å; M270-Q476 HydrophobicContact SD-CB 4.48Å; T460-Q476 PolarHBondContact N-O 2.85Å; T460-Q476 PolarHBondContact O-N 2.88Å; T460-Q476 PolarHBondContact OG1-O 2.92Å; N461-Q476 HydrophobicContact CB-CB 4.38Å; N461-Q476 HydrophobicContact CB-CG 3.85Å |
| 477 | L | 89.7 | Confident | 86.4 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 144.7 | 175.8 | -65.7 | 173.2 | 0 | 0 | 0 | 110.4 | E34 V35 M270 V271 T455 L457 E458 F475 | E34-L477 HydrophobicContact CG-CB 4.29Å; V35-L477 HydrophobicContact CG2-CD1 4.09Å; M270-L477 HydrophobicContact CB-CD1 4.45Å; M270-L477 HydrophobicContact CB-CG 4.25Å; M270-L477 HydrophobicContact SD-CB 3.88Å; M270-L477 HydrophobicContact SD-CG 4.49Å; M270-L477 PolarHBondContact SD-N 2.83Å; M270-L477 VanDerWaalsContact SD-N 3.35Å; V271-L477 HydrophobicContact CG2-CD1 3.64Å; V271-L477 HydrophobicContact CG2-CD2 3.92Å; V271-L477 HydrophobicContact CG2-CG 3.74Å; T455-L477 HydrophobicContact CG2-CD2 4.23Å; L457-L477 HydrophobicContact CB-CB 4.24Å; L457-L477 HydrophobicContact CB-CD2 3.93Å; L457-L477 HydrophobicContact CD1-CB 4.15Å; L457-L477 HydrophobicContact CD1-CD1 3.88Å; L457-L477 HydrophobicContact CD1-CD2 4.5Å; L457-L477 HydrophobicContact CD1-CG 4.41Å; E458-L477 CarbonylContact O-C 3.56Å; E458-L477 WeakPolarHBondContact O-CA 3.39Å; F475-L477 HydrophobicContact CD2-CD2 4.21Å; F475-L477 HydrophobicContact CE2-CD2 3.73Å |
| 478 | C | 88.2 | Confident | 86.1 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 14% | 0.142 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 143.8 | 172.7 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | L457 E458 T460 C483 | L457-C478 CarbonylContact C-O 3.53Å; L457-C478 WeakPolarHBondContact CA-O 3.3Å; E458-C478 PolarHBondContact N-O 2.84Å; E458-C478 PolarHBondContact O-N 3.44Å; T460-C478 HydrophobicContact CG2-CB 3.99Å; C478-C483 HydrophobicContact CB-CB 3.95Å; C478-C483 WeakPolarHBondContact CB-SG 3.26Å; C478-C483 WeakPolarHBondContact SG-CA 3.15Å; C478-C483 WeakPolarHBondContact SG-CB 3.26Å; C478-C483 PolarHBondContact SG-N 2.83Å; C478-C483 CovalentContact SG-SG 2.04Å; C478-C483 PolarHBondContact SG-SG 2.85Å |
| 479 | Y | 85.1 | Confident | 85.6 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | trans | -101.4 | 126.7 | 175 | -171.4 | -106.9 | 0 | 0 | 0 | 112 | T38 L42 I456 L457 N482 | T38-Y479 HydrophobicContact CG2-CD1 4.28Å; T38-Y479 HydrophobicContact CG2-CD2 3.66Å; T38-Y479 HydrophobicContact CG2-CE2 4.31Å; T38-Y479 HydrophobicContact CG2-CG 3.66Å; L42-Y479 HydrophobicContact CD1-CE2 4.4Å; L42-Y479 HydrophobicContact CD2-CE1 4.17Å; L42-Y479 WeakPolarHBondContact CD2-OH 3.08Å; I456-Y479 HydrophobicContact CD1-CD2 4.33Å; I456-Y479 HydrophobicContact CD1-CE2 3.72Å; I456-Y479 HydrophobicContact CG1-CD2 4.42Å; I456-Y479 HydrophobicContact CG1-CE2 4.2Å; L457-Y479 HydrophobicContact CD2-CD2 3.98Å; L457-Y479 HydrophobicContact CD2-CG 4.28Å; Y479-N482 PolarHBondContact O-N 2.78Å | ||
| 480 | Q | 80.1 | Confident | 85.3 | Confident | 107 Ų | 107 | 53.8 Ų | 53.8 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 148.9 | 178.8 | -72.6 | -173.3 | -15.2 | 0 | 0 | 112.6 | E458 | E458-Q480 HydrophobicContact CG-CG 3.96Š|
| 481 | P | 78.1 | Confident | 84.8 | Confident | 105 Ų | 105 | 51.3 Ų | 51.3 | 68% | 0.682 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.3 | 0 | 8 | 35.9 | -36.1 | 0 | 0 | 0 | 115 | C483 | P481-C483 PolarHBondContact O-N 2.94Š|
| 482 | N | 78.1 | Confident | 84.4 | Confident | 129 Ų | 129 | 60 Ų | 60 | 69% | 0.69 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -76.2 | 11.8 | -169.2 | -63.5 | -2.1 | 0 | 0 | 0 | 114.5 | Y479 | Y479-N482 PolarHBondContact O-N 2.78Š|
| 483 | C | 83.6 | Confident | 83.7 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 8% | 0.081 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -86.6 | 138.5 | -179.8 | -52.8 | 0 | 0 | 0 | 0 | 110.3 | C478 P481 R485 V488 | C478-C483 HydrophobicContact CB-CB 3.95Å; C478-C483 WeakPolarHBondContact CB-SG 3.26Å; C478-C483 WeakPolarHBondContact SG-CA 3.15Å; C478-C483 WeakPolarHBondContact SG-CB 3.26Å; C478-C483 PolarHBondContact SG-N 2.83Å; C478-C483 CovalentContact SG-SG 2.04Å; C478-C483 PolarHBondContact SG-SG 2.85Å; P481-C483 PolarHBondContact O-N 2.94Å; C483-R485 PolarHBondContact O-N 3.4Å; C483-V488 HydrophobicContact CB-CG2 3.79Å |
| 484 | D | 83.1 | Confident | 82.8 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | trans | -62.5 | 106.4 | 165 | -177.5 | -5.8 | 0 | 0 | 0 | 108.8 | A486 M487 V488 | D484-A486 PolarHBondContact O-N 3.43Å; D484-A486 VanDerWaalsContact O-N 3.15Å; D484-A486 WeakPolarHBondContact OD1-CB 2.97Å; D484-A486 PolarHBondContact OD1-N 2.98Å; D484-M487 HydrophobicContact CB-CB 4.46Å; D484-M487 HydrophobicContact CB-CG 4.28Å; D484-M487 HydrophobicContact CB-SD 4.4Å; D484-M487 PolarHBondContact O-N 2.78Å; D484-V488 PolarHBondContact O-N 2.82Å | ||
| 485 | R | 80.2 | Confident | 81.1 | Confident | 213 Ų | 213 | 65.8 Ų | 65.8 | 80% | 0.804 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29 | -177 | -66.9 | -175.8 | -179.1 | -177.7 | 0.7 | 112.2 | C483 M487 V488 | C483-R485 PolarHBondContact O-N 3.4Å; R485-M487 PolarHBondContact O-N 2.81Å; R485-V488 PolarHBondContact O-N 2.77Å |
| 486 | A | 80.5 | Confident | 79.1 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 61% | 0.612 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -24 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D484 N490 | D484-A486 PolarHBondContact O-N 3.43Å; D484-A486 VanDerWaalsContact O-N 3.15Å; D484-A486 WeakPolarHBondContact OD1-CB 2.97Å; D484-A486 PolarHBondContact OD1-N 2.98Å; A486-N490 PolarHBondContact O-ND2 3.23Å |
| 487 | M | 81.3 | Confident | 76.3 | Confident | 73 Ų | 73 | 72.9 Ų | 72.9 | 36% | 0.36 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -15.5 | -177.8 | -61.6 | -172.6 | 172.9 | 0 | 0 | 113.6 | T460 N461 D484 R485 G489 N490 | T460-M487 HydrophobicContact CG2-CB 4.35Å; N461-M487 PolarHBondContact OD1-SD 2.75Å; D484-M487 HydrophobicContact CB-CB 4.46Å; D484-M487 HydrophobicContact CB-CG 4.28Å; D484-M487 HydrophobicContact CB-SD 4.4Å; D484-M487 PolarHBondContact O-N 2.78Å; R485-M487 PolarHBondContact O-N 2.81Å; M487-G489 PolarHBondContact O-N 2.86Å; M487-N490 PolarHBondContact O-N 2.83Å |
| 488 | V | 82.6 | Confident | 73.6 | Confident | 19 Ų | 19 | 80.4 Ų | 80.4 | 12% | 0.115 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 122.6 | -174.1 | 168.4 | 0 | 0 | 0 | 0 | 112.1 | H396 E458 M459 T460 C483 D484 R485 N490 | H396-V488 PolarHBondContact ND1-O 2.85Å; E458-V488 HydrophobicContact CB-CG1 3.94Å; E458-V488 HydrophobicContact CB-CG2 4.09Å; E458-V488 HydrophobicContact CG-CG1 3.89Å; E458-V488 HydrophobicContact CG-CG2 4.33Å; M459-V488 CarbonylContact O-C 3.43Å; M459-V488 WeakPolarHBondContact O-CA 3.29Å; T460-V488 HydrophobicContact CG2-CG2 4.17Å; C483-V488 HydrophobicContact CB-CG2 3.79Å; D484-V488 PolarHBondContact O-N 2.82Å; R485-V488 PolarHBondContact O-N 2.77Å; V488-N490 PolarHBondContact O-N 2.88Å |
| 489 | G | 79.9 | Confident | 70.8 | Confident | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 7.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R395 H396 Y397 M459 M487 | R395-G489 CarbonylContact C-O 3.54Å; H396-G489 WeakPolarHBondContact CA-O 3.27Å; H396-G489 PolarHBondContact N-O 2.93Å; Y397-G489 PolarHBondContact N-O 2.82Å; M459-G489 WeakPolarHBondContact CE-O 3.27Å; M459-G489 PolarHBondContact O-N 2.82Å; M487-G489 PolarHBondContact O-N 2.86Å |
| 490 | N | 82.9 | Confident | 68.1 | Low | 42 Ų | 42 | 91 Ų | 91 | 23% | 0.225 | 47% | 0.474 | C | S | . | . | trans | -102.2 | 136.4 | -175.6 | -65.6 | -22.9 | 0 | 0 | 0 | 111.7 | V394 R395 H396 G462 A486 M487 V488 | V394-N490 CarbonylContact O-C 3.56Å; V394-N490 VanDerWaalsContact O-CA 3.31Å; V394-N490 WeakPolarHBondContact O-CA 3.28Å; R395-N490 WeakPolarHBondContact CA-OD1 3.48Å; H396-N490 PolarHBondContact N-OD1 2.99Å; G462-N490 WeakPolarHBondContact CA-O 3.49Å; G462-N490 PolarHBondContact N-O 3.17Å; G462-N490 VanDerWaalsContact N-O 3.12Å; A486-N490 PolarHBondContact O-ND2 3.23Å; M487-N490 PolarHBondContact O-N 2.83Å; V488-N490 PolarHBondContact O-N 2.88Å | ||
| 491 | A | 81 | Confident | 65.7 | Low | 3 Ų | 3 | 91.3 Ų | 91.3 | 3% | 0.025 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 135.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V394 M459 G462 V464 V473 | V394-A491 HydrophobicContact CB-CB 3.7Å; V394-A491 HydrophobicContact CG2-CB 3.91Å; V394-A491 PolarHBondContact N-O 2.89Å; V394-A491 PolarHBondContact O-N 2.77Å; M459-A491 HydrophobicContact CE-CB 4.22Å; G462-A491 VanDerWaalsContact C-CA 3.47Å; G462-A491 VanDerWaalsContact C-CB 3.41Å; G462-A491 VanDerWaalsContact CA-CB 3.49Å; G462-A491 CarbonylContact O-C 3.58Å; G462-A491 WeakPolarHBondContact O-CA 3.38Å; V464-A491 HydrophobicContact CG2-CB 3.66Å; V473-A491 HydrophobicContact CG1-CB 4.27Å |
| 492 | R | 82.5 | Confident | 63.4 | Low | 194 Ų | 194 | 93.6 Ų | 93.6 | 73% | 0.732 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 153.9 | -178.9 | -62.5 | -178 | -177.6 | 178.1 | 1.4 | 111 | G462 L463 V464 | G462-R492 PolarHBondContact O-N 2.91Å; L463-R492 CarbonylContact C-O 3.51Å; L463-R492 WeakPolarHBondContact CA-O 3.18Å; V464-R492 PolarHBondContact N-O 2.88Å |
| 493 | S | 77.6 | Confident | 61.2 | Low | 14 Ų | 14 | 92.3 Ų | 92.3 | 10% | 0.098 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 147.3 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 110.6 | V392 A495 T496 | V392-S493 WeakPolarHBondContact O-CB 3.32Å; S493-A495 PolarHBondContact O-N 2.98Å; S493-A495 PolarHBondContact OG-N 3.19Å; S493-T496 PolarHBondContact O-N 3.2Å; S493-T496 PolarHBondContact O-OG1 2.79Å |
| 494 | V | 69.8 | Low | 58.6 | Low | 74 Ų | 74 | 102.2 Ų | 102.2 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -58 | -32.9 | 169.3 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L463 V464 T465 T496 N497 | L463-V494 HydrophobicContact CD1-CG2 3.65Å; L463-V494 HydrophobicContact CD2-CG2 3.86Å; L463-V494 HydrophobicContact CG-CG2 3.91Å; V464-V494 PolarHBondContact O-N 3.38Å; T465-V494 HydrophobicContact CG2-CG2 3.54Å; V494-T496 PolarHBondContact O-N 2.81Å; V494-N497 PolarHBondContact O-N 3.11Å; V494-N497 VanDerWaalsContact O-N 3.16Å |
| 495 | A | 57.4 | Low | 56.2 | Low | 57 Ų | 57 | 106.2 Ų | 106.2 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -60.2 | -15.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S493 N497 | S493-A495 PolarHBondContact O-N 2.98Å; S493-A495 PolarHBondContact OG-N 3.19Å; A495-N497 VanDerWaalsContact C-N 3.32Å; A495-N497 PolarHBondContact O-N 3.17Å |
| 496 | T | 48.5 | Very low | 53.8 | Low | 79 Ų | 79 | 100.2 Ų | 100.2 | 49% | 0.485 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -80 | -6.4 | 179.4 | -0.9 | 0 | 0 | 0 | 0 | 114.5 | S493 V494 | S493-T496 PolarHBondContact O-N 3.2Å; S493-T496 PolarHBondContact O-OG1 2.79Å; V494-T496 PolarHBondContact O-N 2.81Å |
| 497 | N | 32.8 | Very low | 51.6 | Low | 148 Ų | 148 | 111.6 Ų | 111.6 | 79% | 0.791 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -88.6 | -4.9 | 177.9 | -85.3 | -7.8 | 0 | 0 | 0 | 114.8 | V494 A495 K499 | V494-N497 PolarHBondContact O-N 3.11Å; V494-N497 VanDerWaalsContact O-N 3.16Å; A495-N497 VanDerWaalsContact C-N 3.32Å; A495-N497 PolarHBondContact O-N 3.17Å; N497-K499 VanDerWaalsContact C-N 3.25Å; N497-K499 PolarHBondContact O-N 3.29Å |
| 498 | Q | 31.9 | Very low | 50.1 | Low | 170 Ų | 170 | 113.6 Ų | 113.6 | 79% | 0.794 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -76 | 90.6 | 160.6 | -75.1 | -178.8 | -17.5 | 0 | 0 | 106.8 | T500 | Q498-T500 PolarHBondContact O-N 3.47Š|
| 499 | K | 30.5 | Very low | 48.4 | Very low | 190 Ų | 190 | 118.5 Ų | 118.5 | 83% | 0.826 | 61% | 0.605 | S | S | * | * | trans | -43.6 | 114.4 | 160.7 | -81 | -179.6 | 175.8 | 179.5 | 0 | 105.9 | N497 T501 | N497-K499 VanDerWaalsContact C-N 3.25Å; N497-K499 PolarHBondContact O-N 3.29Å; K499-T501 PolarHBondContact O-N 3.24Å | ||
| 500 | T | 28.3 | Very low | 46.6 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | trans | -55.2 | 94.6 | 158.4 | 41.4 | 0 | 0 | 0 | 0 | 105.4 | Q498 N502 | Q498-T500 PolarHBondContact O-N 3.47Å; T500-N502 PolarHBondContact O-N 3.24Å | ||
| 501 | T | 29.1 | Very low | 44.5 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | trans | -58.2 | 98 | 155.3 | 35.1 | 0 | 0 | 0 | 0 | 104.5 | K499 T503 | K499-T501 PolarHBondContact O-N 3.24Å; T501-T503 PolarHBondContact O-N 3.06Å | ||
| 502 | N | 29.2 | Very low | 42.2 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | trans | -60.3 | 90.1 | 165.5 | -72.6 | -9.7 | 0 | 0 | 0 | 106.4 | T500 | T500-N502 PolarHBondContact O-N 3.24Š| ||
| 503 | T | 31.8 | Very low | 39.5 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 63% | 0.632 | 70% | 0.701 | S | S | * | * | trans | -117.4 | 65.5 | 166.5 | 48.6 | 0 | 0 | 0 | 0 | 107.2 | T501 | T501-T503 PolarHBondContact O-N 3.06Š| ||
| 504 | Y | 30.5 | Very low | 36.8 | Very low | 220 Ų | 220 | 142.8 Ų | 142.8 | 86% | 0.863 | 74% | 0.744 | S | S | * | * | trans | -153.5 | 80.8 | 162.1 | -79.9 | -72.1 | 0 | 0 | 0 | 107.1 | ||||
| 505 | D | 32.7 | Very low | 34.3 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 92% | 0.92 | 77% | 0.767 | S | S | * | * | trans | -157.4 | 67.3 | 156 | -87.3 | -28 | 0 | 0 | 0 | 106.9 | ||||
| 506 | A | 28.7 | Very low | 32.3 | Very low | 86 Ų | 86 | 155.7 Ų | 155.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -164.5 | 79.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 507 | Y | 34.1 | Very low | 30.9 | Very low | 314 Ų | 314 | 162.6 Ų | 162.6 | 100% | 1.231 | 82% | 0.82 | S | S | * | * | trans | 174.1 | 0 | 138.3 | -91.9 | -65.5 | 0 | 0 | 0 | 109.8 |
Retrieved 507 of 507 residues in 336.4 ms
(Link to these results)