| 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 | 65.3 | Low | 73.6 | Confident | 110 Ų | 110 | 78.7 Ų | 78.7 | 54% | 0.542 | 41% | 0.409 | S | S | . | . | 0 | -49.3 | 0 | -154.2 | 169.1 | -76.3 | 0 | 0 | 112 | S3 A4 I5 T36 F38 P51 M57 | M1-S3 PolarHBondContact O-N 2.96Å; M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.49Å; M1-I5 PolarHBondContact O-N 2.89Å; M1-T36 HydrophobicContact SD-CG2 4.46Å; M1-F38 HydrophobicContact CB-CE2 4.49Å; M1-F38 HydrophobicContact CB-CZ 4.03Å; M1-F38 HydrophobicContact CG-CE2 3.74Å; M1-F38 HydrophobicContact CG-CZ 3.78Å; M1-F38 HydrophobicContact SD-CD2 4.48Å; M1-F38 HydrophobicContact SD-CE2 3.23Å; M1-F38 WeakPolarHBondContact SD-CE2 3.49Å; M1-F38 HydrophobicContact SD-CZ 3.5Å; M1-F38 WeakPolarHBondContact SD-CZ 3.2Å; M1-P51 HydrophobicContact CE-CB 4.48Å; M1-P51 HydrophobicContact CE-CG 4.44Å; M1-M57 HydrophobicContact CG-CE 4.11Å; M1-M57 HydrophobicContact CG-SD 3.97Å; M1-M57 HydrophobicContact SD-CE 4.39Å | |||
| 2 | L | 69.4 | Low | 73.6 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -52.3 | -40.3 | 173.6 | -171.4 | 66.4 | 0 | 0 | 0 | 113.4 | A4 I5 Q6 L17 T23 | L2-A4 VanDerWaalsContact C-N 3.26Å; L2-A4 PolarHBondContact O-N 2.99Å; L2-I5 WeakPolarHBondContact O-CB 3.29Å; L2-I5 PolarHBondContact O-N 2.89Å; L2-I5 VanDerWaalsContact O-N 3.11Å; L2-Q6 WeakPolarHBondContact O-CG 3.41Å; L2-Q6 PolarHBondContact O-N 3.25Å; L2-L17 HydrophobicContact CD1-CD2 3.91Å; L2-T23 HydrophobicContact CD1-CG2 3.93Å |
| 3 | S | 73.4 | Confident | 73.7 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.8 | -32.7 | 174.3 | 54.7 | 0 | 0 | 0 | 0 | 114 | M1 K7 | M1-S3 PolarHBondContact O-N 2.96Å; S3-K7 WeakPolarHBondContact O-CG 3.42Å; S3-K7 PolarHBondContact O-N 3.04Å; S3-K7 VanDerWaalsContact O-N 3.1Å |
| 4 | A | 73 | Confident | 73.7 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 21% | 0.207 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -76.2 | -33.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | M1 L2 N8 M57 | M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.49Å; L2-A4 VanDerWaalsContact C-N 3.26Å; L2-A4 PolarHBondContact O-N 2.99Å; A4-N8 PolarHBondContact O-N 2.72Å; A4-N8 PolarHBondContact O-ND2 2.76Å; A4-M57 HydrophobicContact CB-CG 4.1Å |
| 5 | I | 72.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 171.1 | -59.1 | 172.6 | 0 | 0 | 0 | 109.3 | M1 L2 K7 N8 S9 L17 F38 I40 M57 | M1-I5 PolarHBondContact O-N 2.89Å; L2-I5 WeakPolarHBondContact O-CB 3.29Å; L2-I5 PolarHBondContact O-N 2.89Å; L2-I5 VanDerWaalsContact O-N 3.11Å; I5-K7 PolarHBondContact O-N 3.19Å; I5-N8 CarbonylContact O-C 3.51Å; I5-N8 PolarHBondContact O-N 2.77Å; I5-S9 VanDerWaalsContact O-CA 3.28Å; I5-S9 WeakPolarHBondContact O-CA 3.43Å; I5-S9 VanDerWaalsContact O-CB 3.27Å; I5-S9 WeakPolarHBondContact O-CB 3.32Å; I5-S9 PolarHBondContact O-N 2.92Å; I5-L17 HydrophobicContact CB-CD2 4.29Å; I5-L17 HydrophobicContact CG2-CD1 3.73Å; I5-L17 HydrophobicContact CG2-CD2 3.85Å; I5-L17 HydrophobicContact CG2-CG 4.37Å; I5-F38 HydrophobicContact CD1-CB 4.12Å; I5-F38 HydrophobicContact CD1-CD1 3.79Å; I5-F38 HydrophobicContact CD1-CD2 3.71Å; I5-F38 HydrophobicContact CD1-CE1 4.16Å; I5-F38 HydrophobicContact CD1-CE2 4.13Å; I5-F38 HydrophobicContact CD1-CG 3.55Å; I5-F38 HydrophobicContact CD1-CZ 4.34Å; I5-I40 HydrophobicContact CD1-CD1 4.43Å; I5-I40 HydrophobicContact CG2-CD1 3.79Å; I5-M57 HydrophobicContact CD1-CE 4.04Å; I5-M57 HydrophobicContact CG1-CE 3.82Å; I5-M57 HydrophobicContact CG1-CG 3.81Å; I5-M57 HydrophobicContact CG1-SD 4.36Å |
| 6 | Q | 74.7 | Confident | 73.6 | Confident | 106 Ų | 106 | 62.6 Ų | 62.6 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.8 | -50.2 | 177.8 | -74.5 | 173.9 | -24.6 | 0 | 0 | 111.7 | L2 N8 S9 L17 | L2-Q6 WeakPolarHBondContact O-CG 3.41Å; L2-Q6 PolarHBondContact O-N 3.25Å; Q6-N8 VanDerWaalsContact C-N 3.32Å; Q6-N8 PolarHBondContact O-N 3.34Å; Q6-S9 WeakPolarHBondContact O-CB 3.42Å; Q6-S9 PolarHBondContact O-N 2.87Å; Q6-S9 PolarHBondContact O-OG 2.91Å; Q6-L17 HydrophobicContact CB-CD2 4.31Å; Q6-L17 HydrophobicContact CG-CB 4.22Å; Q6-L17 HydrophobicContact CG-CD2 3.34Å; Q6-L17 HydrophobicContact CG-CG 4.37Å |
| 7 | K | 76.7 | Confident | 73.3 | Confident | 180 Ų | 180 | 59.8 Ų | 59.8 | 78% | 0.783 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.9 | -36.9 | 179.5 | -74.8 | 179.1 | -179.7 | -172.9 | 0 | 113.7 | S3 I5 | S3-K7 WeakPolarHBondContact O-CG 3.42Å; S3-K7 PolarHBondContact O-N 3.04Å; S3-K7 VanDerWaalsContact O-N 3.1Å; I5-K7 PolarHBondContact O-N 3.19Å |
| 8 | N | 77.1 | Confident | 73 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 8.7 | -177.5 | -60.8 | -53.6 | 0 | 0 | 0 | 113.1 | A4 I5 Q6 I10 D11 L12 | A4-N8 PolarHBondContact O-N 2.72Å; A4-N8 PolarHBondContact O-ND2 2.76Å; I5-N8 CarbonylContact O-C 3.51Å; I5-N8 PolarHBondContact O-N 2.77Å; Q6-N8 VanDerWaalsContact C-N 3.32Å; Q6-N8 PolarHBondContact O-N 3.34Å; N8-I10 PolarHBondContact O-N 2.71Å; N8-D11 PolarHBondContact O-N 2.78Å; N8-L12 HydrophobicContact CB-CD1 3.65Å; N8-L12 HydrophobicContact CB-CG 4.09Å; N8-L12 WeakPolarHBondContact O-CB 3.31Å; N8-L12 VanDerWaalsContact O-CG 3.24Å; N8-L12 WeakPolarHBondContact O-CG 3.38Å; N8-L12 PolarHBondContact O-N 2.93Å |
| 9 | S | 76.2 | Confident | 72.8 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.035 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | -164.1 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | I5 Q6 D11 L12 L13 E15 L17 | I5-S9 VanDerWaalsContact O-CA 3.28Å; I5-S9 WeakPolarHBondContact O-CA 3.43Å; I5-S9 VanDerWaalsContact O-CB 3.27Å; I5-S9 WeakPolarHBondContact O-CB 3.32Å; I5-S9 PolarHBondContact O-N 2.92Å; Q6-S9 WeakPolarHBondContact O-CB 3.42Å; Q6-S9 PolarHBondContact O-N 2.87Å; Q6-S9 PolarHBondContact O-OG 2.91Å; S9-D11 VanDerWaalsContact C-N 3.32Å; S9-D11 PolarHBondContact O-N 2.83Å; S9-L12 PolarHBondContact O-N 2.85Å; S9-L13 WeakPolarHBondContact O-CB 3.39Å; S9-L13 PolarHBondContact O-N 2.98Å; S9-E15 CarbonylContact C-O 3.52Å; S9-L17 PolarHBondContact OG-N 2.95Å |
| 10 | I | 75.7 | Confident | 72.9 | Confident | 103 Ų | 103 | 67.9 Ų | 67.9 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.1 | -62.6 | 173.3 | 0 | 0 | 0 | 110.3 | N8 L12 G14 E15 P16 | N8-I10 PolarHBondContact O-N 2.71Å; I10-L12 PolarHBondContact O-N 2.77Å; I10-G14 CarbonylContact O-C 3.29Å; I10-G14 WeakPolarHBondContact O-CA 3.35Å; I10-G14 PolarHBondContact O-N 2.75Å; I10-E15 PolarHBondContact N-O 2.83Å; I10-P16 HydrophobicContact CD1-CG 4.3Å; I10-P16 HydrophobicContact CG1-CG 4.1Å |
| 11 | D | 75.9 | Confident | 72.9 | Confident | 142 Ų | 142 | 70.4 Ų | 70.4 | 76% | 0.759 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69 | -34.1 | 179 | -61.7 | -25.1 | 0 | 0 | 0 | 112.5 | N8 S9 | N8-D11 PolarHBondContact O-N 2.78Å; S9-D11 VanDerWaalsContact C-N 3.32Å; S9-D11 PolarHBondContact O-N 2.83Å |
| 12 | L | 73.7 | Confident | 73.8 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -82.3 | -44.3 | -176.7 | -69.5 | 168 | 0 | 0 | 0 | 113.2 | N8 S9 I10 V49 M57 V59 | N8-L12 HydrophobicContact CB-CD1 3.65Å; N8-L12 HydrophobicContact CB-CG 4.09Å; N8-L12 WeakPolarHBondContact O-CB 3.31Å; N8-L12 VanDerWaalsContact O-CG 3.24Å; N8-L12 WeakPolarHBondContact O-CG 3.38Å; N8-L12 PolarHBondContact O-N 2.93Å; S9-L12 PolarHBondContact O-N 2.85Å; I10-L12 PolarHBondContact O-N 2.77Å; L12-V49 HydrophobicContact CD1-CG1 4.49Å; L12-M57 HydrophobicContact CD1-CB 3.79Å; L12-V59 HydrophobicContact CB-CG2 4.25Å; L12-V59 HydrophobicContact CD2-CG2 3.99Å; L12-V59 WeakPolarHBondContact O-CG2 3.48Å |
| 13 | L | 75.2 | Confident | 74.7 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -106.7 | -13 | -169.2 | -50.9 | 179 | 0 | 0 | 0 | 112 | S9 E15 L17 I40 Y47 | S9-L13 WeakPolarHBondContact O-CB 3.39Å; S9-L13 PolarHBondContact O-N 2.98Å; L13-E15 HydrophobicContact CB-CG 4.34Å; L13-L17 HydrophobicContact CD1-CD1 3.77Å; L13-I40 HydrophobicContact CD1-CG2 4.06Å; L13-I40 HydrophobicContact CD2-CD1 4.47Å; L13-I40 HydrophobicContact CD2-CG2 4.32Å; L13-Y47 HydrophobicContact CB-CE2 4.45Å; L13-Y47 HydrophobicContact CD2-CD1 4.05Å; L13-Y47 HydrophobicContact CD2-CD2 3.59Å; L13-Y47 HydrophobicContact CD2-CE1 4.32Å; L13-Y47 HydrophobicContact CD2-CE2 3.87Å; L13-Y47 HydrophobicContact CD2-CG 3.67Å; L13-Y47 PolarHBondContact O-OH 2.99Å; L13-Y47 VanDerWaalsContact O-OH 3.06Å |
| 14 | G | 73.7 | Confident | 75.6 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 67% | 0.67 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 78.3 | 2.4 | -167 | 0 | 0 | 0 | 0 | 0 | 113.3 | I10 | I10-G14 CarbonylContact O-C 3.29Å; I10-G14 WeakPolarHBondContact O-CA 3.35Å; I10-G14 PolarHBondContact O-N 2.75Å |
| 15 | E | 74.1 | Confident | 76.4 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -156.6 | 160.5 | -177.4 | 65 | -172.3 | 116.6 | 0 | 0 | 113.2 | S9 I10 L13 K19 S42 K43 | S9-E15 CarbonylContact C-O 3.52Å; I10-E15 PolarHBondContact N-O 2.83Å; L13-E15 HydrophobicContact CB-CG 4.34Å; E15-K19 HydrophobicContact CB-CD 4.42Å; E15-K19 HydrophobicContact CG-CB 4.24Å; E15-K19 VanDerWaalsContact OE2-CB 3.25Å; E15-K19 WeakPolarHBondContact OE2-CB 3.32Å; E15-K19 WeakPolarHBondContact OE2-CD 3.31Å; E15-S42 PolarHBondContact OE1-OG 2.72Å; E15-K43 IonicContact OE1-NZ 2.75Å; E15-K43 PolarHBondContact OE1-NZ 2.96Å; E15-K43 WeakPolarHBondContact OE2-CE 3.28Å; E15-K43 IonicContact OE2-NZ 2.65Å; E15-K43 PolarHBondContact OE2-NZ 2.88Å |
| 16 | P | 71.8 | Confident | 77.5 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | trans | -60.2 | 144.4 | 177.5 | -23.1 | 33.4 | 0 | 0 | 0 | 112.9 | I10 W18 K19 | I10-P16 HydrophobicContact CD1-CG 4.3Å; I10-P16 HydrophobicContact CG1-CG 4.1Å; P16-W18 HydrophobicContact CB-CD2 3.57Å; P16-W18 HydrophobicContact CB-CE3 3.99Å; P16-W18 HydrophobicContact CB-CG 4.18Å; P16-W18 HydrophobicContact CB-CH2 3.8Å; P16-W18 HydrophobicContact CB-CZ2 3.35Å; P16-W18 HydrophobicContact CB-CZ3 4.1Å; P16-W18 HydrophobicContact CG-CH2 4.27Å; P16-W18 HydrophobicContact CG-CZ2 3.62Å; P16-W18 PolarHBondContact O-N 2.81Å; P16-W18 VanDerWaalsContact O-N 3.12Å; P16-K19 WeakPolarHBondContact O-CB 3.4Å; P16-K19 PolarHBondContact O-N 2.71Å | ||
| 17 | L | 69 | Low | 78.4 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -58.8 | -30.4 | -176.8 | -170.2 | 63.9 | 0 | 0 | 0 | 113.3 | L2 I5 Q6 S9 L13 K19 A20 I40 | L2-L17 HydrophobicContact CD1-CD2 3.91Å; I5-L17 HydrophobicContact CB-CD2 4.29Å; I5-L17 HydrophobicContact CG2-CD1 3.73Å; I5-L17 HydrophobicContact CG2-CD2 3.85Å; I5-L17 HydrophobicContact CG2-CG 4.37Å; Q6-L17 HydrophobicContact CB-CD2 4.31Å; Q6-L17 HydrophobicContact CG-CB 4.22Å; Q6-L17 HydrophobicContact CG-CD2 3.34Å; Q6-L17 HydrophobicContact CG-CG 4.37Å; S9-L17 PolarHBondContact OG-N 2.95Å; L13-L17 HydrophobicContact CD1-CD1 3.77Å; L17-K19 PolarHBondContact O-N 3.48Å; L17-K19 VanDerWaalsContact O-N 3.13Å; L17-A20 HydrophobicContact CD1-CB 3.95Å; L17-A20 WeakPolarHBondContact O-CA 3.42Å; L17-A20 WeakPolarHBondContact O-CB 3.02Å; L17-A20 PolarHBondContact O-N 3.21Å; L17-I40 HydrophobicContact CD1-CD1 4.27Å; L17-I40 HydrophobicContact CD1-CG2 4.38Å |
| 18 | W | 67.7 | Low | 79.2 | Confident | 209 Ų | 209 | 55.2 Ų | 55.2 | 79% | 0.792 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -66.9 | -9.4 | 176.9 | 59.3 | 74.3 | 0 | 0 | 0 | 113.6 | P16 | P16-W18 HydrophobicContact CB-CD2 3.57Å; P16-W18 HydrophobicContact CB-CE3 3.99Å; P16-W18 HydrophobicContact CB-CG 4.18Å; P16-W18 HydrophobicContact CB-CH2 3.8Å; P16-W18 HydrophobicContact CB-CZ2 3.35Å; P16-W18 HydrophobicContact CB-CZ3 4.1Å; P16-W18 HydrophobicContact CG-CH2 4.27Å; P16-W18 HydrophobicContact CG-CZ2 3.62Å; P16-W18 PolarHBondContact O-N 2.81Å; P16-W18 VanDerWaalsContact O-N 3.12Å |
| 19 | K | 69 | Low | 79.7 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -91.7 | -1.3 | 167.4 | -60.1 | -168.3 | 179.9 | -179.2 | 0 | 112.9 | E15 P16 L17 | E15-K19 HydrophobicContact CB-CD 4.42Å; E15-K19 HydrophobicContact CG-CB 4.24Å; E15-K19 VanDerWaalsContact OE2-CB 3.25Å; E15-K19 WeakPolarHBondContact OE2-CB 3.32Å; E15-K19 WeakPolarHBondContact OE2-CD 3.31Å; P16-K19 WeakPolarHBondContact O-CB 3.4Å; P16-K19 PolarHBondContact O-N 2.71Å; L17-K19 PolarHBondContact O-N 3.48Å; L17-K19 VanDerWaalsContact O-N 3.13Å |
| 20 | A | 74 | Confident | 80.2 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L17 C22 I40 I41 | L17-A20 HydrophobicContact CD1-CB 3.95Å; L17-A20 WeakPolarHBondContact O-CA 3.42Å; L17-A20 WeakPolarHBondContact O-CB 3.02Å; L17-A20 PolarHBondContact O-N 3.21Å; A20-C22 VanDerWaalsContact C-N 3.32Å; A20-I40 HydrophobicContact CB-CG2 3.73Å; A20-I41 CarbonylContact C-O 3.46Å; A20-I41 WeakPolarHBondContact CA-O 3.35Å |
| 21 | Y | 72.8 | Confident | 80.7 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -23.6 | 179.1 | -69 | -86.8 | 0 | 0 | 0 | 112.2 | I41 K43 Y115 | Y21-I41 PolarHBondContact N-O 2.86Å; Y21-K43 VanDerWaalsContact CD2-N 3.33Å; Y21-K43 HydrophobicContact CE2-CB 4.47Å; Y21-K43 HydrophobicContact CE2-CG 4.27Å; Y21-K43 VanDerWaalsContact CE2-N 3.27Å; Y21-Y115 HydrophobicContact CE2-CE2 4.27Å; Y21-Y115 PolarHBondContact OH-OH 2.95Å |
| 22 | C | 85.4 | Confident | 81.2 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 142.7 | -174 | -162.9 | 0 | 0 | 0 | 0 | 110.6 | A20 I40 I41 S107 | A20-C22 VanDerWaalsContact C-N 3.32Å; C22-I40 VanDerWaalsContact O-CA 3.32Å; C22-I40 WeakPolarHBondContact O-CA 3.48Å; C22-I40 WeakPolarHBondContact O-CG2 3.29Å; C22-I41 HydrophobicContact CB-CB 4.04Å; C22-I41 HydrophobicContact CB-CD1 4.47Å; C22-I41 HydrophobicContact CB-CG1 4.39Å; C22-I41 PolarHBondContact N-O 2.8Å; C22-I41 PolarHBondContact O-N 2.87Å; C22-I41 VanDerWaalsContact O-N 3.09Å; C22-S107 VanDerWaalsContact CB-CB 3.48Å; C22-S107 WeakPolarHBondContact CB-OG 3.16Å |
| 23 | T | 88.2 | Confident | 82 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 110.2 | 166.5 | -65.5 | 0 | 0 | 0 | 0 | 107.5 | L2 F38 L39 I40 | L2-T23 HydrophobicContact CD1-CG2 3.93Å; T23-F38 HydrophobicContact CG2-CD1 3.94Å; T23-L39 WeakPolarHBondContact CA-O 2.92Å; T23-I40 HydrophobicContact CG2-CD1 4.41Å; T23-I40 HydrophobicContact CG2-CG1 4.1Å |
| 24 | V | 91 | Very high | 82.7 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.7 | 176.9 | -63.7 | 0 | 0 | 0 | 0 | 110 | V26 F38 L39 A100 T103 L104 | V24-V26 HydrophobicContact CG2-CG1 4.11Å; V24-F38 WeakPolarHBondContact O-CA 3.14Å; V24-L39 HydrophobicContact CG2-CB 3.71Å; V24-L39 HydrophobicContact CG2-CD1 4.42Å; V24-L39 HydrophobicContact CG2-CG 4.42Å; V24-L39 PolarHBondContact N-O 2.99Å; V24-L39 PolarHBondContact O-N 2.83Å; V24-A100 HydrophobicContact CB-CB 4.24Å; V24-A100 HydrophobicContact CG1-CB 4.32Å; V24-T103 HydrophobicContact CG1-CG2 4.41Å; V24-L104 HydrophobicContact CG2-CB 4.15Å; V24-L104 HydrophobicContact CG2-CD1 4Å; V24-L104 HydrophobicContact CG2-CG 4.46Å |
| 25 | P | 91.1 | Very high | 83.6 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 136.9 | 167.5 | 31.1 | -32.1 | 0 | 0 | 0 | 108.8 | F38 | P25-F38 HydrophobicContact CB-CD1 4.26Å; P25-F38 HydrophobicContact CB-CE1 3.92Å |
| 26 | V | 93.9 | Very high | 84.4 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.024 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 163.7 | 173.2 | -54.2 | 0 | 0 | 0 | 0 | 109.1 | V24 R37 L39 F94 Y95 C96 | V24-V26 HydrophobicContact CG2-CG1 4.11Å; V26-R37 HydrophobicContact CG2-CB 3.78Å; V26-R37 PolarHBondContact N-O 2.8Å; V26-R37 PolarHBondContact O-N 2.85Å; V26-L39 HydrophobicContact CG1-CD1 3.73Å; V26-L39 HydrophobicContact CG1-CG 3.97Å; V26-L39 HydrophobicContact CG2-CD1 4.16Å; V26-L39 HydrophobicContact CG2-CD2 4.42Å; V26-L39 HydrophobicContact CG2-CG 3.85Å; V26-F94 HydrophobicContact CB-CB 3.94Å; V26-F94 HydrophobicContact CB-CD1 4.33Å; V26-F94 HydrophobicContact CB-CG 4.42Å; V26-F94 HydrophobicContact CG1-CB 4.38Å; V26-F94 HydrophobicContact CG2-CB 3.96Å; V26-F94 HydrophobicContact CG2-CD1 3.41Å; V26-F94 VanDerWaalsContact CG2-CD1 3.41Å; V26-F94 HydrophobicContact CG2-CE1 4.16Å; V26-F94 HydrophobicContact CG2-CG 3.9Å; V26-Y95 WeakPolarHBondContact CA-O 3.14Å; V26-C96 HydrophobicContact CB-CB 4.31Å; V26-C96 HydrophobicContact CG1-CB 3.89Å |
| 27 | E | 94.2 | Very high | 85.4 | Confident | 88 Ų | 88 | 73.3 Ų | 73.3 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 152 | 175.1 | -60.2 | -177.5 | 155.1 | 0 | 0 | 110.3 | I34 E35 F94 Y95 | E27-I34 HydrophobicContact CB-CG2 3.91Å; E27-I34 HydrophobicContact CG-CG2 4.13Å; E27-I34 WeakPolarHBondContact OE2-CG2 3.5Å; E27-E35 WeakPolarHBondContact CA-O 3.23Å; E27-F94 CarbonylContact O-C 3.57Å; E27-F94 VanDerWaalsContact O-CA 3.31Å; E27-F94 WeakPolarHBondContact O-CA 3.42Å; E27-Y95 PolarHBondContact N-O 2.91Å; E27-Y95 PolarHBondContact O-N 3.3Å |
| 28 | I | 92.9 | Very high | 86.5 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.9 | 169.1 | 65 | 172.1 | 0 | 0 | 0 | 108.9 | K30 I34 E35 R37 F94 | I28-K30 HydrophobicContact CD1-CB 4.49Å; I28-I34 WeakPolarHBondContact O-CA 3.35Å; I28-E35 HydrophobicContact CG1-CB 4.13Å; I28-E35 PolarHBondContact N-O 2.84Å; I28-E35 PolarHBondContact O-N 3.34Å; I28-R37 HydrophobicContact CD1-CG 4.09Å; I28-R37 VanDerWaalsContact CD1-CZ 3.47Å; I28-R37 HydrophobicContact CG1-CG 4.1Å; I28-R37 HydrophobicContact CG2-CG 3.99Å; I28-F94 HydrophobicContact CG2-CD1 3.38Å; I28-F94 HydrophobicContact CG2-CE1 3.66Å; I28-F94 HydrophobicContact CG2-CG 4.47Å |
| 29 | N | 89.2 | Confident | 87.7 | Confident | 87 Ų | 87 | 63.3 Ų | 63.3 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 104.6 | 167.4 | -173.2 | -18.6 | 0 | 0 | 0 | 108.8 | G32 Y95 | N29-G32 WeakPolarHBondContact OD1-CA 3.34Å; N29-G32 PolarHBondContact OD1-N 3.28Å; N29-Y95 HydrophobicContact CB-CE2 3.96Å |
| 30 | K | 85.5 | Confident | 88.7 | Confident | 99 Ų | 99 | 58 Ų | 58 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 108.3 | 174.8 | -170.1 | 174.8 | -178.3 | 175.1 | 0 | 108.8 | I28 G32 K33 | I28-K30 HydrophobicContact CD1-CB 4.49Å; K30-G32 VanDerWaalsContact C-N 3.26Å; K30-G32 PolarHBondContact O-N 3.31Å; K30-K33 PolarHBondContact N-O 2.82Å; K30-K33 WeakPolarHBondContact O-CB 3.4Å; K30-K33 PolarHBondContact O-N 3.17Å |
| 31 | Q | 87.3 | Confident | 89.4 | Confident | 194 Ų | 194 | 57 Ų | 57 | 91% | 0.907 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 38.6 | 176 | -59.1 | 175.2 | -20.4 | 0 | 0 | 113.4 | K33 | Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 2.9Å |
| 32 | G | 86.5 | Confident | 90.1 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N29 K30 | N29-G32 WeakPolarHBondContact OD1-CA 3.34Å; N29-G32 PolarHBondContact OD1-N 3.28Å; K30-G32 VanDerWaalsContact C-N 3.26Å; K30-G32 PolarHBondContact O-N 3.31Å |
| 33 | K | 90.3 | Very high | 90 | Very high | 138 Ų | 138 | 54.3 Ų | 54.3 | 60% | 0.6 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.6 | 175.1 | -170.2 | -179.7 | 179 | -174 | 0 | 110.7 | K30 Q31 E35 | K30-K33 PolarHBondContact N-O 2.82Å; K30-K33 WeakPolarHBondContact O-CB 3.4Å; K30-K33 PolarHBondContact O-N 3.17Å; Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 2.9Å; K33-E35 HydrophobicContact CD-CG 4.36Å; K33-E35 HydrophobicContact CG-CG 4.26Å |
| 34 | I | 90.3 | Very high | 89.8 | Confident | 110 Ų | 110 | 55.8 Ų | 55.8 | 56% | 0.564 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.1 | 171.4 | -59.8 | 177.8 | 0 | 0 | 0 | 108.4 | E27 I28 | E27-I34 HydrophobicContact CB-CG2 3.91Å; E27-I34 HydrophobicContact CG-CG2 4.13Å; E27-I34 WeakPolarHBondContact OE2-CG2 3.5Å; I28-I34 WeakPolarHBondContact O-CA 3.35Å |
| 35 | E | 91.7 | Very high | 89.8 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.6 | 176.7 | -55.1 | -172.9 | 164.7 | 0 | 0 | 111.4 | E27 I28 K33 R37 | E27-E35 WeakPolarHBondContact CA-O 3.23Å; I28-E35 HydrophobicContact CG1-CB 4.13Å; I28-E35 PolarHBondContact N-O 2.84Å; I28-E35 PolarHBondContact O-N 3.34Å; K33-E35 HydrophobicContact CD-CG 4.36Å; K33-E35 HydrophobicContact CG-CG 4.26Å; E35-R37 IonicContact OE2-CZ 3.24Å; E35-R37 VanDerWaalsContact OE2-CZ 3.24Å; E35-R37 IonicContact OE2-NH1 2.89Å; E35-R37 PolarHBondContact OE2-NH1 3.36Å; E35-R37 IonicContact OE2-NH2 2.72Å; E35-R37 PolarHBondContact OE2-NH2 3.5Å |
| 36 | T | 91.5 | Very high | 89.7 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 138.9 | 176.3 | -46.1 | 0 | 0 | 0 | 0 | 111.3 | M1 F38 P51 | M1-T36 HydrophobicContact SD-CG2 4.46Å; T36-F38 HydrophobicContact CG2-CE2 4.12Å; T36-F38 HydrophobicContact CG2-CZ 4.24Å; T36-P51 VanDerWaalsContact O-CD 3.29Å; T36-P51 WeakPolarHBondContact O-CD 3.38Å |
| 37 | R | 92.1 | Very high | 89.6 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 164.1 | 171.7 | -62.5 | -61.5 | -172.8 | -88.7 | 1.8 | 109.5 | V26 I28 E35 V48 V49 C50 E60 | V26-R37 HydrophobicContact CG2-CB 3.78Å; V26-R37 PolarHBondContact N-O 2.8Å; V26-R37 PolarHBondContact O-N 2.85Å; I28-R37 HydrophobicContact CD1-CG 4.09Å; I28-R37 VanDerWaalsContact CD1-CZ 3.47Å; I28-R37 HydrophobicContact CG1-CG 4.1Å; I28-R37 HydrophobicContact CG2-CG 3.99Å; E35-R37 IonicContact OE2-CZ 3.24Å; E35-R37 VanDerWaalsContact OE2-CZ 3.24Å; E35-R37 IonicContact OE2-NH1 2.89Å; E35-R37 PolarHBondContact OE2-NH1 3.36Å; E35-R37 IonicContact OE2-NH2 2.72Å; E35-R37 PolarHBondContact OE2-NH2 3.5Å; R37-V48 HydrophobicContact CB-CG1 4.27Å; R37-V48 HydrophobicContact CG-CG1 4.35Å; R37-V49 CarbonylContact C-O 3.53Å; R37-V49 WeakPolarHBondContact CA-O 3.42Å; R37-C50 VanDerWaalsContact NE-CB 3.33Å; R37-E60 IonicContact CZ-OE2 3.45Å; R37-E60 IonicContact NE-OE2 2.71Å; R37-E60 PolarHBondContact NE-OE2 3.11Å; R37-E60 IonicContact NH2-OE2 3.34Å; R37-E60 PolarHBondContact NH2-OE2 3.22Å |
| 38 | F | 91.7 | Very high | 89.4 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 7% | 0.066 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.2 | 170 | -63.2 | -95.2 | 0 | 0 | 0 | 108.7 | M1 I5 T23 V24 P25 T36 I40 V48 V49 M57 | M1-F38 HydrophobicContact CB-CE2 4.49Å; M1-F38 HydrophobicContact CB-CZ 4.03Å; M1-F38 HydrophobicContact CG-CE2 3.74Å; M1-F38 HydrophobicContact CG-CZ 3.78Å; M1-F38 HydrophobicContact SD-CD2 4.48Å; M1-F38 HydrophobicContact SD-CE2 3.23Å; M1-F38 WeakPolarHBondContact SD-CE2 3.49Å; M1-F38 HydrophobicContact SD-CZ 3.5Å; M1-F38 WeakPolarHBondContact SD-CZ 3.2Å; I5-F38 HydrophobicContact CD1-CB 4.12Å; I5-F38 HydrophobicContact CD1-CD1 3.79Å; I5-F38 HydrophobicContact CD1-CD2 3.71Å; I5-F38 HydrophobicContact CD1-CE1 4.16Å; I5-F38 HydrophobicContact CD1-CE2 4.13Å; I5-F38 HydrophobicContact CD1-CG 3.55Å; I5-F38 HydrophobicContact CD1-CZ 4.34Å; T23-F38 HydrophobicContact CG2-CD1 3.94Å; V24-F38 WeakPolarHBondContact O-CA 3.14Å; P25-F38 HydrophobicContact CB-CD1 4.26Å; P25-F38 HydrophobicContact CB-CE1 3.92Å; T36-F38 HydrophobicContact CG2-CE2 4.12Å; T36-F38 HydrophobicContact CG2-CZ 4.24Å; F38-I40 HydrophobicContact CB-CD1 4.4Å; F38-I40 HydrophobicContact CB-CG1 4.13Å; F38-V48 WeakPolarHBondContact O-CA 2.81Å; F38-V49 HydrophobicContact CB-CB 4.36Å; F38-V49 PolarHBondContact N-O 3.1Å; F38-V49 PolarHBondContact O-N 3.39Å; F38-M57 HydrophobicContact CD2-CE 3.73Å; F38-M57 HydrophobicContact CE2-CE 3.84Å |
| 39 | L | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120 | 166.4 | -56.7 | 177.4 | 0 | 0 | 0 | 107.6 | T23 V24 V26 L46 Y47 V48 L78 F94 L104 | T23-L39 WeakPolarHBondContact CA-O 2.92Å; V24-L39 HydrophobicContact CG2-CB 3.71Å; V24-L39 HydrophobicContact CG2-CD1 4.42Å; V24-L39 HydrophobicContact CG2-CG 4.42Å; V24-L39 PolarHBondContact N-O 2.99Å; V24-L39 PolarHBondContact O-N 2.83Å; V26-L39 HydrophobicContact CG1-CD1 3.73Å; V26-L39 HydrophobicContact CG1-CG 3.97Å; V26-L39 HydrophobicContact CG2-CD1 4.16Å; V26-L39 HydrophobicContact CG2-CD2 4.42Å; V26-L39 HydrophobicContact CG2-CG 3.85Å; L39-L46 HydrophobicContact CB-CD1 4.38Å; L39-Y47 WeakPolarHBondContact CA-O 3.45Å; L39-V48 HydrophobicContact CD2-CB 4.34Å; L39-V48 HydrophobicContact CD2-CG1 4.3Å; L39-V48 HydrophobicContact CD2-CG2 3.73Å; L39-L78 HydrophobicContact CD1-CD2 4.1Å; L39-F94 HydrophobicContact CD1-CD2 4.02Å; L39-F94 HydrophobicContact CD1-CE2 4.22Å; L39-F94 HydrophobicContact CD1-CG 4.25Å; L39-F94 HydrophobicContact CD2-CE1 4.01Å; L39-F94 HydrophobicContact CD2-CE2 4.05Å; L39-F94 HydrophobicContact CD2-CZ 3.76Å; L39-L104 HydrophobicContact CB-CD1 3.95Å; L39-L104 HydrophobicContact CB-CD2 4.36Å; L39-L104 HydrophobicContact CD1-CD2 3.56Å |
| 40 | I | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.1 | -177.2 | -54.6 | -177.8 | 0 | 0 | 0 | 108.4 | I5 L13 L17 A20 C22 T23 F38 L46 Y47 V49 | I5-I40 HydrophobicContact CD1-CD1 4.43Å; I5-I40 HydrophobicContact CG2-CD1 3.79Å; L13-I40 HydrophobicContact CD1-CG2 4.06Å; L13-I40 HydrophobicContact CD2-CD1 4.47Å; L13-I40 HydrophobicContact CD2-CG2 4.32Å; L17-I40 HydrophobicContact CD1-CD1 4.27Å; L17-I40 HydrophobicContact CD1-CG2 4.38Å; A20-I40 HydrophobicContact CB-CG2 3.73Å; C22-I40 VanDerWaalsContact O-CA 3.32Å; C22-I40 WeakPolarHBondContact O-CA 3.48Å; C22-I40 WeakPolarHBondContact O-CG2 3.29Å; T23-I40 HydrophobicContact CG2-CD1 4.41Å; T23-I40 HydrophobicContact CG2-CG1 4.1Å; F38-I40 HydrophobicContact CB-CD1 4.4Å; F38-I40 HydrophobicContact CB-CG1 4.13Å; I40-L46 CarbonylContact O-C 3.52Å; I40-L46 WeakPolarHBondContact O-CA 3.49Å; I40-Y47 PolarHBondContact N-O 3.23Å; I40-Y47 PolarHBondContact O-N 2.84Å; I40-V49 HydrophobicContact CD1-CB 4.37Å; I40-V49 HydrophobicContact CD1-CG2 3.72Å; I40-V49 HydrophobicContact CG1-CG2 4.28Å |
| 41 | I | 89.2 | Confident | 89.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.6 | 170.7 | -61.2 | 175.3 | 0 | 0 | 0 | 107.8 | A20 Y21 C22 R45 L46 V65 L104 L108 S111 | A20-I41 CarbonylContact C-O 3.46Å; A20-I41 WeakPolarHBondContact CA-O 3.35Å; Y21-I41 PolarHBondContact N-O 2.86Å; C22-I41 HydrophobicContact CB-CB 4.04Å; C22-I41 HydrophobicContact CB-CD1 4.47Å; C22-I41 HydrophobicContact CB-CG1 4.39Å; C22-I41 PolarHBondContact N-O 2.8Å; C22-I41 PolarHBondContact O-N 2.87Å; C22-I41 VanDerWaalsContact O-N 3.09Å; I41-R45 WeakPolarHBondContact CA-O 2.98Å; I41-L46 HydrophobicContact CD1-CD1 4.24Å; I41-L46 HydrophobicContact CG1-CD1 3.46Å; I41-L46 VanDerWaalsContact CG1-CD1 3.46Å; I41-V65 HydrophobicContact CG2-CG1 4.46Å; I41-L104 HydrophobicContact CD1-CD1 3.56Å; I41-L104 HydrophobicContact CD1-CG 4.22Å; I41-L104 HydrophobicContact CG1-CD1 3.85Å; I41-L108 HydrophobicContact CD1-CB 3.72Å; I41-L108 HydrophobicContact CD1-CD1 4.35Å; I41-S111 VanDerWaalsContact CG2-OG 3.29Å; I41-S111 WeakPolarHBondContact CG2-OG 3.47Å |
| 42 | S | 86.8 | Confident | 89.1 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 119.2 | 173.8 | -173 | 0 | 0 | 0 | 0 | 109.5 | E15 F44 R45 | E15-S42 PolarHBondContact OE1-OG 2.72Å; S42-F44 PolarHBondContact O-N 2.87Å; S42-F44 VanDerWaalsContact O-N 3.14Å; S42-R45 PolarHBondContact N-O 3.38Å; S42-R45 PolarHBondContact O-N 2.86Å |
| 43 | K | 83.5 | Confident | 88.9 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -113.8 | -169.1 | -53.6 | -164.9 | -173.5 | 95.8 | 0 | 112.3 | E15 Y21 S111 Y115 | E15-K43 IonicContact OE1-NZ 2.75Å; E15-K43 PolarHBondContact OE1-NZ 2.96Å; E15-K43 WeakPolarHBondContact OE2-CE 3.28Å; E15-K43 IonicContact OE2-NZ 2.65Å; E15-K43 PolarHBondContact OE2-NZ 2.88Å; Y21-K43 VanDerWaalsContact CD2-N 3.33Å; Y21-K43 HydrophobicContact CE2-CB 4.47Å; Y21-K43 HydrophobicContact CE2-CG 4.27Å; Y21-K43 VanDerWaalsContact CE2-N 3.27Å; K43-S111 WeakPolarHBondContact O-CB 3.25Å; K43-S111 PolarHBondContact O-OG 2.83Å; K43-Y115 HydrophobicContact CB-CE1 4.37Å; K43-Y115 HydrophobicContact CB-CE2 3.88Å; K43-Y115 WeakPolarHBondContact CG-OH 3.43Å; K43-Y115 WeakPolarHBondContact O-CE2 3.34Å |
| 44 | F | 84.8 | Confident | 88.4 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 33% | 0.333 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 16.9 | -179.9 | 56.2 | -92 | 0 | 0 | 0 | 112.6 | S42 N64 V65 Y115 F116 | S42-F44 PolarHBondContact O-N 2.87Å; S42-F44 VanDerWaalsContact O-N 3.14Å; F44-N64 WeakPolarHBondContact O-CA 3.32Å; F44-N64 PolarHBondContact O-OD1 2.78Å; F44-V65 HydrophobicContact CB-CG2 4.2Å; F44-V65 WeakPolarHBondContact O-CG2 3.15Å; F44-V65 PolarHBondContact O-N 3.36Å; F44-Y115 HydrophobicContact CB-CD2 4.4Å; F44-Y115 HydrophobicContact CB-CG 4.34Å; F44-F116 HydrophobicContact CB-CE2 3.76Å; F44-F116 HydrophobicContact CB-CZ 3.96Å |
| 45 | R | 89.2 | Confident | 87.8 | Confident | 118 Ų | 118 | 46 Ų | 46 | 45% | 0.445 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.2 | -179.2 | -68.3 | -177.7 | 176.6 | -175.8 | 1.5 | 112.5 | I41 S42 Y47 H63 | I41-R45 WeakPolarHBondContact CA-O 2.98Å; S42-R45 PolarHBondContact N-O 3.38Å; S42-R45 PolarHBondContact O-N 2.86Å; R45-Y47 HydrophobicContact CB-CD2 4.24Å; R45-Y47 HydrophobicContact CB-CE2 3.52Å; R45-Y47 WeakPolarHBondContact CD-OH 3.32Å; R45-Y47 PolarHBondContact NH1-OH 2.93Å; R45-H63 CarbonylContact C-O 3.5Å; R45-H63 WeakPolarHBondContact CA-O 3.38Å |
| 46 | L | 90.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.4 | 165.9 | 179.8 | 77.4 | 0 | 0 | 0 | 109.2 | L39 I40 I41 A62 H63 F80 L104 | L39-L46 HydrophobicContact CB-CD1 4.38Å; I40-L46 CarbonylContact O-C 3.52Å; I40-L46 WeakPolarHBondContact O-CA 3.49Å; I41-L46 HydrophobicContact CD1-CD1 4.24Å; I41-L46 HydrophobicContact CG1-CD1 3.46Å; I41-L46 VanDerWaalsContact CG1-CD1 3.46Å; L46-A62 CarbonylContact O-C 3.52Å; L46-A62 WeakPolarHBondContact O-CA 3.39Å; L46-H63 PolarHBondContact N-O 2.88Å; L46-H63 PolarHBondContact O-N 3.23Å; L46-F80 HydrophobicContact CD2-CD1 4.46Å; L46-F80 HydrophobicContact CD2-CD2 4.36Å; L46-F80 HydrophobicContact CD2-CE1 3.55Å; L46-F80 HydrophobicContact CD2-CE2 3.46Å; L46-F80 VanDerWaalsContact CD2-CE2 3.46Å; L46-F80 HydrophobicContact CD2-CZ 2.97Å; L46-F80 HydrophobicContact CG-CZ 4.43Å; L46-L104 HydrophobicContact CD1-CD1 4.06Å |
| 47 | Y | 90.7 | Very high | 86.8 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.9 | 176.8 | -59 | -91.8 | 0 | 0 | 0 | 110.4 | L13 L39 I40 R45 V59 V61 A62 | L13-Y47 HydrophobicContact CB-CE2 4.45Å; L13-Y47 HydrophobicContact CD2-CD1 4.05Å; L13-Y47 HydrophobicContact CD2-CD2 3.59Å; L13-Y47 HydrophobicContact CD2-CE1 4.32Å; L13-Y47 HydrophobicContact CD2-CE2 3.87Å; L13-Y47 HydrophobicContact CD2-CG 3.67Å; L13-Y47 PolarHBondContact O-OH 2.99Å; L13-Y47 VanDerWaalsContact O-OH 3.06Å; L39-Y47 WeakPolarHBondContact CA-O 3.45Å; I40-Y47 PolarHBondContact N-O 3.23Å; I40-Y47 PolarHBondContact O-N 2.84Å; R45-Y47 HydrophobicContact CB-CD2 4.24Å; R45-Y47 HydrophobicContact CB-CE2 3.52Å; R45-Y47 WeakPolarHBondContact CD-OH 3.32Å; R45-Y47 PolarHBondContact NH1-OH 2.93Å; Y47-V59 HydrophobicContact CD1-CG1 4.04Å; Y47-V59 HydrophobicContact CD1-CG2 4.23Å; Y47-V61 CarbonylContact C-O 3.55Å; Y47-V61 WeakPolarHBondContact CA-O 3.37Å; Y47-A62 HydrophobicContact CD1-CB 3.72Å; Y47-A62 HydrophobicContact CE1-CB 3.8Å |
| 48 | V | 90.9 | Very high | 86.4 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 111.6 | 163.3 | -172.7 | 0 | 0 | 0 | 0 | 106.8 | R37 F38 L39 E60 V61 M92 F94 | R37-V48 HydrophobicContact CB-CG1 4.27Å; R37-V48 HydrophobicContact CG-CG1 4.35Å; F38-V48 WeakPolarHBondContact O-CA 2.81Å; L39-V48 HydrophobicContact CD2-CB 4.34Å; L39-V48 HydrophobicContact CD2-CG1 4.3Å; L39-V48 HydrophobicContact CD2-CG2 3.73Å; V48-E60 PolarHBondContact O-N 3.21Å; V48-V61 HydrophobicContact CB-CB 4.19Å; V48-V61 HydrophobicContact CB-CG2 4.26Å; V48-V61 HydrophobicContact CG2-CB 4.09Å; V48-V61 HydrophobicContact CG2-CG2 4.28Å; V48-V61 PolarHBondContact N-O 2.92Å; V48-V61 PolarHBondContact O-N 3.28Å; V48-M92 HydrophobicContact CG2-CE 4.24Å; V48-F94 HydrophobicContact CG1-CE1 4.22Å; V48-F94 HydrophobicContact CG1-CZ 4.44Å; V48-F94 HydrophobicContact CG2-CZ 4.14Å |
| 49 | V | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.5 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | L12 R37 F38 I40 M57 G58 | L12-V49 HydrophobicContact CD1-CG1 4.49Å; R37-V49 CarbonylContact C-O 3.53Å; R37-V49 WeakPolarHBondContact CA-O 3.42Å; F38-V49 HydrophobicContact CB-CB 4.36Å; F38-V49 PolarHBondContact N-O 3.1Å; F38-V49 PolarHBondContact O-N 3.39Å; I40-V49 HydrophobicContact CD1-CB 4.37Å; I40-V49 HydrophobicContact CD1-CG2 3.72Å; I40-V49 HydrophobicContact CG1-CG2 4.28Å; V49-M57 HydrophobicContact CG1-CB 3.88Å; V49-M57 HydrophobicContact CG1-CE 3.93Å; V49-G58 CarbonylContact C-O 3.48Å; V49-G58 WeakPolarHBondContact CA-O 3.42Å; V49-G58 WeakPolarHBondContact CG1-O 3.39Å |
| 50 | C | 90 | Very high | 85.8 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 14% | 0.135 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.5 | -179.9 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | R37 M57 G58 | R37-C50 VanDerWaalsContact NE-CB 3.33Å; C50-M57 CarbonylContact O-C 3.55Å; C50-M57 WeakPolarHBondContact O-CA 3.39Å; C50-G58 PolarHBondContact N-O 3.35Å; C50-G58 PolarHBondContact O-N 2.82Å; C50-G58 PolarHBondContact SG-O 2.84Å |
| 51 | P | 85.4 | Confident | 85.5 | Confident | 55 Ų | 55 | 55 Ų | 55 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 135.8 | 165.7 | 30 | -31.9 | 0 | 0 | 0 | 110.2 | M1 T36 M57 | M1-P51 HydrophobicContact CE-CB 4.48Å; M1-P51 HydrophobicContact CE-CG 4.44Å; T36-P51 VanDerWaalsContact O-CD 3.29Å; T36-P51 WeakPolarHBondContact O-CD 3.38Å; P51-M57 HydrophobicContact CB-SD 4.11Å |
| 52 | K | 82.6 | Confident | 85.4 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | trans | -94.7 | 156.1 | 170.1 | -68 | -177.9 | 168.6 | 175.5 | 0 | 110 | T54 G55 K56 | K52-T54 PolarHBondContact O-N 3.28Å; K52-G55 PolarHBondContact O-N 2.89Å; K52-K56 WeakPolarHBondContact CB-O 3.24Å; K52-K56 PolarHBondContact N-O 3.26Å | ||
| 53 | L | 80.9 | Confident | 85.4 | Confident | 192 Ų | 192 | 57.4 Ų | 57.4 | 100% | 1.005 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.5 | 175.9 | -65.5 | 175.2 | 0 | 0 | 0 | 113.4 | G55 | L53-G55 PolarHBondContact O-N 2.89Š|
| 54 | T | 81.1 | Confident | 85.7 | Confident | 106 Ų | 106 | 56 Ų | 56 | 65% | 0.65 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 4.2 | 177.1 | 68.2 | 0 | 0 | 0 | 0 | 113.8 | K52 K56 | K52-T54 PolarHBondContact O-N 3.28Å; T54-K56 PolarHBondContact O-N 3.07Å; T54-K56 PolarHBondContact OG1-N 2.83Å |
| 55 | G | 76.5 | Confident | 85.8 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 65% | 0.649 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 73.2 | 0.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K52 L53 | K52-G55 PolarHBondContact O-N 2.89Å; L53-G55 PolarHBondContact O-N 2.89Å |
| 56 | K | 80.1 | Confident | 85.7 | Confident | 131 Ų | 131 | 47.6 Ų | 47.6 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | trans | -84.8 | 157.4 | 173.6 | -65.1 | -173.1 | 177.9 | -174 | 0 | 109.9 | K52 T54 | K52-K56 WeakPolarHBondContact CB-O 3.24Å; K52-K56 PolarHBondContact N-O 3.26Å; T54-K56 PolarHBondContact O-N 3.07Å; T54-K56 PolarHBondContact OG1-N 2.83Å | ||
| 57 | M | 82.3 | Confident | 85.6 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.059 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 152.3 | 167.6 | -58 | -59.8 | -68.1 | 0 | 0 | 109.3 | M1 A4 I5 L12 F38 V49 C50 P51 | M1-M57 HydrophobicContact CG-CE 4.11Å; M1-M57 HydrophobicContact CG-SD 3.97Å; M1-M57 HydrophobicContact SD-CE 4.39Å; A4-M57 HydrophobicContact CB-CG 4.1Å; I5-M57 HydrophobicContact CD1-CE 4.04Å; I5-M57 HydrophobicContact CG1-CE 3.82Å; I5-M57 HydrophobicContact CG1-CG 3.81Å; I5-M57 HydrophobicContact CG1-SD 4.36Å; L12-M57 HydrophobicContact CD1-CB 3.79Å; F38-M57 HydrophobicContact CD2-CE 3.73Å; F38-M57 HydrophobicContact CE2-CE 3.84Å; V49-M57 HydrophobicContact CG1-CB 3.88Å; V49-M57 HydrophobicContact CG1-CE 3.93Å; C50-M57 CarbonylContact O-C 3.55Å; C50-M57 WeakPolarHBondContact O-CA 3.39Å; P51-M57 HydrophobicContact CB-SD 4.11Å |
| 58 | G | 84.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V49 C50 E60 | V49-G58 CarbonylContact C-O 3.48Å; V49-G58 WeakPolarHBondContact CA-O 3.42Å; V49-G58 WeakPolarHBondContact CG1-O 3.39Å; C50-G58 PolarHBondContact N-O 3.35Å; C50-G58 PolarHBondContact O-N 2.82Å; C50-G58 PolarHBondContact SG-O 2.84Å; G58-E60 PolarHBondContact O-N 2.82Å |
| 59 | V | 85.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 53.7 Ų | 53.7 | 35% | 0.345 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115.1 | 169.8 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | L12 Y47 V61 A62 | L12-V59 HydrophobicContact CB-CG2 4.25Å; L12-V59 HydrophobicContact CD2-CG2 3.99Å; L12-V59 WeakPolarHBondContact O-CG2 3.48Å; Y47-V59 HydrophobicContact CD1-CG1 4.04Å; Y47-V59 HydrophobicContact CD1-CG2 4.23Å; V59-V61 WeakPolarHBondContact CG1-O 3.46Å; V59-A62 HydrophobicContact CG1-CB 4.16Å |
| 60 | E | 85.3 | Confident | 84.8 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -43.1 | 170.4 | -174.4 | 170 | -171.8 | 0 | 0 | 109.6 | R37 V48 G58 | R37-E60 IonicContact CZ-OE2 3.45Å; R37-E60 IonicContact NE-OE2 2.71Å; R37-E60 PolarHBondContact NE-OE2 3.11Å; R37-E60 IonicContact NH2-OE2 3.34Å; R37-E60 PolarHBondContact NH2-OE2 3.22Å; V48-E60 PolarHBondContact O-N 3.21Å; G58-E60 PolarHBondContact O-N 2.82Å |
| 61 | V | 84.8 | Confident | 84.7 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 142 | 178.5 | -151.7 | 0 | 0 | 0 | 0 | 111.6 | Y47 V48 V59 H63 M92 | Y47-V61 CarbonylContact C-O 3.55Å; Y47-V61 WeakPolarHBondContact CA-O 3.37Å; V48-V61 HydrophobicContact CB-CB 4.19Å; V48-V61 HydrophobicContact CB-CG2 4.26Å; V48-V61 HydrophobicContact CG2-CB 4.09Å; V48-V61 HydrophobicContact CG2-CG2 4.28Å; V48-V61 PolarHBondContact N-O 2.92Å; V48-V61 PolarHBondContact O-N 3.28Å; V59-V61 WeakPolarHBondContact CG1-O 3.46Å; V61-H63 WeakPolarHBondContact CG1-CE1 3.42Å; V61-H63 WeakPolarHBondContact CG1-NE2 3.44Å; V61-M92 HydrophobicContact CG2-SD 4.41Å |
| 62 | A | 86.5 | Confident | 84.9 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 37% | 0.372 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L46 Y47 V59 | L46-A62 CarbonylContact O-C 3.52Å; L46-A62 WeakPolarHBondContact O-CA 3.39Å; Y47-A62 HydrophobicContact CD1-CB 3.72Å; Y47-A62 HydrophobicContact CE1-CB 3.8Å; V59-A62 HydrophobicContact CG1-CB 4.16Å |
| 63 | H | 87.8 | Confident | 85.2 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.9 | 179.1 | -60.1 | -60.5 | 0 | 0 | 0 | 110.8 | R45 L46 V61 I82 R84 | R45-H63 CarbonylContact C-O 3.5Å; R45-H63 WeakPolarHBondContact CA-O 3.38Å; L46-H63 PolarHBondContact N-O 2.88Å; L46-H63 PolarHBondContact O-N 3.23Å; V61-H63 WeakPolarHBondContact CG1-CE1 3.42Å; V61-H63 WeakPolarHBondContact CG1-NE2 3.44Å; H63-I82 WeakPolarHBondContact CE1-CD1 3.08Å; H63-I82 WeakPolarHBondContact ND1-CD1 3.33Å; H63-I82 VanDerWaalsContact NE2-CD1 3.29Å; H63-I82 WeakPolarHBondContact NE2-CD1 3.43Å; H63-R84 VanDerWaalsContact CE1-CZ 3.44Å; H63-R84 PolarHBondContact CE1-NE 2.95Å; H63-R84 VanDerWaalsContact CE1-NE 3.31Å; H63-R84 PolarHBondContact CE1-NH2 2.9Å; H63-R84 PolarHBondContact ND1-NE 3.16Å; H63-R84 PolarHBondContact ND1-NH2 3.31Å; H63-R84 VanDerWaalsContact ND1-NH2 3.17Å |
| 64 | N | 87.9 | Confident | 85.7 | Confident | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 139.3 | 158.8 | -165.9 | -50.3 | 0 | 0 | 0 | 108.6 | F44 T66 F67 | F44-N64 WeakPolarHBondContact O-CA 3.32Å; F44-N64 PolarHBondContact O-OD1 2.78Å; N64-T66 PolarHBondContact O-N 2.84Å; N64-T66 WeakPolarHBondContact OD1-CB 3.37Å; N64-T66 WeakPolarHBondContact OD1-CG2 3.31Å; N64-T66 PolarHBondContact OD1-N 2.93Å; N64-T66 PolarHBondContact OD1-OG1 3.11Å; N64-F67 HydrophobicContact CB-CD2 3.96Å; N64-F67 HydrophobicContact CB-CE2 4.03Å; N64-F67 HydrophobicContact CB-CG 4.32Å; N64-F67 HydrophobicContact CB-CZ 4.43Å; N64-F67 WeakPolarHBondContact O-CB 3.42Å; N64-F67 PolarHBondContact O-N 2.88Å |
| 65 | V | 87.9 | Confident | 86 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -57.6 | -26.8 | 174 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | I41 F44 F67 V68 L108 L112 F116 | I41-V65 HydrophobicContact CG2-CG1 4.46Å; F44-V65 HydrophobicContact CB-CG2 4.2Å; F44-V65 WeakPolarHBondContact O-CG2 3.15Å; F44-V65 PolarHBondContact O-N 3.36Å; V65-F67 PolarHBondContact O-N 2.93Å; V65-V68 WeakPolarHBondContact O-CB 3.37Å; V65-V68 VanDerWaalsContact O-CG2 3.31Å; V65-V68 WeakPolarHBondContact O-CG2 3.44Å; V65-V68 PolarHBondContact O-N 3.49Å; V65-V68 VanDerWaalsContact O-N 3.11Å; V65-L108 HydrophobicContact CB-CD1 3.68Å; V65-L108 HydrophobicContact CG1-CD1 3.67Å; V65-L112 HydrophobicContact CB-CD2 4.17Å; V65-L112 HydrophobicContact CB-CG 4.4Å; V65-L112 HydrophobicContact CG2-CD2 3.79Å; V65-L112 HydrophobicContact CG2-CG 4.25Å; V65-F116 HydrophobicContact CG2-CD2 4.32Å; V65-F116 HydrophobicContact CG2-CE2 3.81Å |
| 66 | T | 87.1 | Confident | 86.8 | Confident | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.104 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -69 | -16.8 | 175.6 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | N64 V68 L112 F116 W119 | N64-T66 PolarHBondContact O-N 2.84Å; N64-T66 WeakPolarHBondContact OD1-CB 3.37Å; N64-T66 WeakPolarHBondContact OD1-CG2 3.31Å; N64-T66 PolarHBondContact OD1-N 2.93Å; N64-T66 PolarHBondContact OD1-OG1 3.11Å; T66-V68 VanDerWaalsContact C-N 3.27Å; T66-L112 HydrophobicContact CG2-CD2 4.24Å; T66-F116 HydrophobicContact CG2-CD1 3.83Å; T66-F116 HydrophobicContact CG2-CD2 3.6Å; T66-F116 HydrophobicContact CG2-CE1 3.74Å; T66-F116 HydrophobicContact CG2-CE2 3.5Å; T66-F116 VanDerWaalsContact CG2-CE2 3.5Å; T66-F116 HydrophobicContact CG2-CG 3.76Å; T66-F116 HydrophobicContact CG2-CZ 3.57Å; T66-W119 HydrophobicContact CG2-CD2 4.5Å; T66-W119 HydrophobicContact CG2-CE3 4.15Å; T66-W119 HydrophobicContact CG2-CH2 4.05Å; T66-W119 HydrophobicContact CG2-CZ2 4.39Å; T66-W119 HydrophobicContact CG2-CZ3 3.92Å; T66-W119 WeakPolarHBondContact O-CH2 3.37Å; T66-W119 WeakPolarHBondContact O-CZ2 3.48Å |
| 67 | F | 89.2 | Confident | 87.4 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -80.6 | -11.8 | 173.4 | -61.7 | -26.9 | 0 | 0 | 0 | 112.5 | N64 V65 R69 I82 Q83 R84 | N64-F67 HydrophobicContact CB-CD2 3.96Å; N64-F67 HydrophobicContact CB-CE2 4.03Å; N64-F67 HydrophobicContact CB-CG 4.32Å; N64-F67 HydrophobicContact CB-CZ 4.43Å; N64-F67 WeakPolarHBondContact O-CB 3.42Å; N64-F67 PolarHBondContact O-N 2.88Å; V65-F67 PolarHBondContact O-N 2.93Å; F67-R69 PolarHBondContact O-N 2.92Å; F67-I82 CarbonylContact O-C 3.15Å; F67-I82 WeakPolarHBondContact O-CA 3.34Å; F67-Q83 PolarHBondContact O-N 3.04Å; F67-R84 HydrophobicContact CD2-CG 4.17Å |
| 68 | V | 86.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 123 | 176 | -171 | 0 | 0 | 0 | 0 | 109.2 | V65 T66 F80 L108 | V65-V68 WeakPolarHBondContact O-CB 3.37Å; V65-V68 VanDerWaalsContact O-CG2 3.31Å; V65-V68 WeakPolarHBondContact O-CG2 3.44Å; V65-V68 PolarHBondContact O-N 3.49Å; V65-V68 VanDerWaalsContact O-N 3.11Å; T66-V68 VanDerWaalsContact C-N 3.27Å; V68-F80 HydrophobicContact CB-CE2 4.05Å; V68-F80 HydrophobicContact CB-CZ 4.3Å; V68-F80 HydrophobicContact CG1-CD2 4.06Å; V68-F80 HydrophobicContact CG1-CE2 3.41Å; V68-F80 VanDerWaalsContact CG1-CE2 3.41Å; V68-F80 HydrophobicContact CG1-CZ 4.08Å; V68-F80 HydrophobicContact CG2-CE2 3.44Å; V68-F80 VanDerWaalsContact CG2-CE2 3.44Å; V68-F80 HydrophobicContact CG2-CZ 3.38Å; V68-L108 HydrophobicContact CB-CD2 4.13Å; V68-L108 HydrophobicContact CG1-CD2 3.75Å; V68-L108 HydrophobicContact CG2-CD1 4.11Å; V68-L108 HydrophobicContact CG2-CD2 4.28Å |
| 69 | R | 85.1 | Confident | 88.1 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -39.4 | 178.9 | -67.7 | -56 | -165.3 | -157.8 | -0.3 | 112.9 | F67 T81 Q83 F89 W123 | F67-R69 PolarHBondContact O-N 2.92Å; R69-T81 PolarHBondContact N-O 3.15Å; R69-Q83 HydrophobicContact CG-CB 3.56Å; R69-Q83 VanDerWaalsContact NH2-OE1 3.09Å; R69-F89 HydrophobicContact CB-CE1 4.47Å; R69-F89 HydrophobicContact CG-CE1 4.12Å; R69-W123 CarbonylContact O-C 3.57Å; R69-W123 WeakPolarHBondContact O-CB 3.34Å; R69-W123 VanDerWaalsContact O-O 3.05Å |
| 70 | Y | 83.6 | Confident | 88.2 | Confident | 80 Ų | 80 | 52.1 Ų | 52.1 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 146.3 | 179.7 | -45.8 | -85.9 | 0 | 0 | 0 | 109.8 | T81 F89 W123 | Y70-T81 HydrophobicContact CD2-CG2 4.2Å; Y70-T81 PolarHBondContact N-O 2.98Å; Y70-T81 PolarHBondContact O-N 3.14Å; Y70-F89 HydrophobicContact CE2-CE1 4.42Å; Y70-W123 HydrophobicContact CD1-CE3 4.23Å; Y70-W123 AromaticContact CE1-CE3 3.31Å; Y70-W123 HydrophobicContact CE1-CE3 3.31Å; Y70-W123 AromaticContact CE1-CZ3 3.56Å; Y70-W123 HydrophobicContact CE1-CZ3 3.56Å; Y70-W123 AromaticContact CZ-CE3 3.65Å; Y70-W123 AromaticContact CZ-CZ3 3.61Å; Y70-W123 WeakPolarHBondContact OH-CZ3 3.41Å |
| 71 | L | 87.2 | Confident | 88.4 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 83.8 | 177.7 | 179.7 | 78.2 | 0 | 0 | 0 | 110 | L78 E79 F80 L104 A105 A127 F128 | L71-L78 HydrophobicContact CD1-CD1 3.52Å; L71-L78 HydrophobicContact CD1-CD2 4.1Å; L71-L78 HydrophobicContact CD1-CG 3.83Å; L71-L78 HydrophobicContact CD2-CD1 4.4Å; L71-L78 HydrophobicContact CG-CD1 3.72Å; L71-E79 CarbonylContact C-O 3.49Å; L71-E79 WeakPolarHBondContact CA-O 3.46Å; L71-F80 HydrophobicContact CD1-CB 4.3Å; L71-F80 HydrophobicContact CD1-CD2 3.65Å; L71-F80 HydrophobicContact CD1-CG 4.46Å; L71-L104 HydrophobicContact CD1-CD2 4.12Å; L71-A105 HydrophobicContact CD2-CB 3.54Å; L71-A127 WeakPolarHBondContact O-CB 3.18Å; L71-F128 HydrophobicContact CD2-CE2 4.28Å |
| 72 | R | 89.1 | Confident | 88.6 | Confident | 134 Ų | 134 | 47.4 Ų | 47.4 | 51% | 0.506 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.3 | -173 | -176.5 | -174.2 | -67 | 144.3 | -8.9 | 111 | L78 E79 A127 | R72-L78 CarbonylContact O-C 3.55Å; R72-L78 WeakPolarHBondContact O-CA 3.38Å; R72-E79 HydrophobicContact CB-CB 4.21Å; R72-E79 IonicContact CZ-OE2 3.89Å; R72-E79 PolarHBondContact N-O 2.69Å; R72-E79 IonicContact NH1-OE2 2.98Å; R72-E79 PolarHBondContact NH1-OE2 3.36Å; R72-E79 PolarHBondContact O-N 3.47Å; R72-A127 WeakPolarHBondContact CA-O 3.38Å; R72-A127 HydrophobicContact CB-CB 4.3Å |
| 73 | F | 90.4 | Very high | 88.5 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130 | 172.5 | -175.1 | -99.8 | 0 | 0 | 0 | 111.1 | Q77 L78 C96 L98 A101 F128 | F73-Q77 CarbonylContact C-O 3.59Å; F73-Q77 VanDerWaalsContact CA-O 3.28Å; F73-Q77 WeakPolarHBondContact CA-O 3.45Å; F73-L78 HydrophobicContact CB-CD1 4.32Å; F73-L78 HydrophobicContact CD2-CB 4.31Å; F73-L78 HydrophobicContact CD2-CD1 4.38Å; F73-C96 VanDerWaalsContact CE2-O 3.32Å; F73-C96 WeakPolarHBondContact CE2-O 3.09Å; F73-L98 HydrophobicContact CD1-CB 4.47Å; F73-L98 HydrophobicContact CD1-CD1 3.56Å; F73-L98 HydrophobicContact CE1-CB 3.76Å; F73-L98 HydrophobicContact CE1-CD1 3.71Å; F73-L98 HydrophobicContact CE1-CG 4.3Å; F73-L98 HydrophobicContact CG-CD1 4.35Å; F73-L98 HydrophobicContact CZ-CB 4.08Å; F73-A101 HydrophobicContact CB-CB 4.2Å; F73-A101 HydrophobicContact CD2-CB 3.46Å; F73-A101 VanDerWaalsContact CD2-CB 3.46Å; F73-A101 HydrophobicContact CE2-CB 3.99Å; F73-A101 HydrophobicContact CG-CB 3.86Å; F73-F128 HydrophobicContact CB-CE1 4.38Å |
| 74 | R | 90.6 | Very high | 88.2 | Confident | 168 Ų | 168 | 53 Ų | 53 | 63% | 0.634 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 128.7 | 176.5 | 179.4 | -179.1 | 175.2 | 165.2 | 7.7 | 111.2 | D76 Q77 | R74-D76 PolarHBondContact O-N 3.28Å; R74-Q77 PolarHBondContact N-O 2.98Å; R74-Q77 PolarHBondContact O-N 3.31Å |
| 75 | D | 87.7 | Confident | 87.9 | Confident | 137 Ų | 137 | 56.4 Ų | 56.4 | 73% | 0.733 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -60 | 177.5 | -58.4 | -44.4 | 0 | 0 | 0 | 113.5 | ||
| 76 | D | 92.3 | Very high | 87.4 | Confident | 73 Ų | 73 | 61 Ų | 61 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -159.2 | -1.2 | 174.1 | 63.6 | -20 | 0 | 0 | 0 | 112.8 | R74 Y95 C96 | R74-D76 PolarHBondContact O-N 3.28Å; D76-Y95 VanDerWaalsContact O-CA 3.31Å; D76-Y95 WeakPolarHBondContact O-CA 3.46Å; D76-C96 PolarHBondContact O-N 3.37Å |
| 77 | Q | 92.9 | Very high | 87 | Confident | 64 Ų | 64 | 65.1 Ų | 65.1 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.2 | -174.3 | -74.1 | 171.5 | 45.6 | 0 | 0 | 111.1 | F73 R74 I93 F94 Y95 | F73-Q77 CarbonylContact C-O 3.59Å; F73-Q77 VanDerWaalsContact CA-O 3.28Å; F73-Q77 WeakPolarHBondContact CA-O 3.45Å; R74-Q77 PolarHBondContact N-O 2.98Å; R74-Q77 PolarHBondContact O-N 3.31Å; Q77-I93 HydrophobicContact CB-CG2 4.12Å; Q77-I93 HydrophobicContact CG-CG2 4Å; Q77-F94 CarbonylContact C-O 3.58Å; Q77-F94 WeakPolarHBondContact CA-O 3.47Å; Q77-Y95 HydrophobicContact CG-CD1 3.67Å; Q77-Y95 HydrophobicContact CG-CE1 3.36Å |
| 78 | L | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 100.5 | 168.3 | -174.6 | 65.6 | 0 | 0 | 0 | 109.3 | L39 L71 R72 F73 F94 A101 L104 | L39-L78 HydrophobicContact CD1-CD2 4.1Å; L71-L78 HydrophobicContact CD1-CD1 3.52Å; L71-L78 HydrophobicContact CD1-CD2 4.1Å; L71-L78 HydrophobicContact CD1-CG 3.83Å; L71-L78 HydrophobicContact CD2-CD1 4.4Å; L71-L78 HydrophobicContact CG-CD1 3.72Å; R72-L78 CarbonylContact O-C 3.55Å; R72-L78 WeakPolarHBondContact O-CA 3.38Å; F73-L78 HydrophobicContact CB-CD1 4.32Å; F73-L78 HydrophobicContact CD2-CB 4.31Å; F73-L78 HydrophobicContact CD2-CD1 4.38Å; L78-F94 HydrophobicContact CB-CB 4.26Å; L78-F94 PolarHBondContact N-O 3.37Å; L78-F94 PolarHBondContact O-N 3.2Å; L78-A101 HydrophobicContact CD1-CB 3.89Å; L78-L104 HydrophobicContact CD2-CD2 3.75Å |
| 79 | E | 90.9 | Very high | 86.8 | Confident | 56 Ų | 56 | 72.8 Ų | 72.8 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.9 | 170.8 | -61.2 | -179.9 | 170.4 | 0 | 0 | 109.6 | L71 R72 T91 I93 | L71-E79 CarbonylContact C-O 3.49Å; L71-E79 WeakPolarHBondContact CA-O 3.46Å; R72-E79 HydrophobicContact CB-CB 4.21Å; R72-E79 IonicContact CZ-OE2 3.89Å; R72-E79 PolarHBondContact N-O 2.69Å; R72-E79 IonicContact NH1-OE2 2.98Å; R72-E79 PolarHBondContact NH1-OE2 3.36Å; R72-E79 PolarHBondContact O-N 3.47Å; E79-T91 HydrophobicContact CB-CG2 4.48Å; E79-I93 HydrophobicContact CG-CG1 4.4Å |
| 80 | F | 88.2 | Confident | 86.9 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110 | 179.9 | 177.8 | -101.1 | 0 | 0 | 0 | 110 | L46 V68 L71 I82 T91 M92 F94 | L46-F80 HydrophobicContact CD2-CD1 4.46Å; L46-F80 HydrophobicContact CD2-CD2 4.36Å; L46-F80 HydrophobicContact CD2-CE1 3.55Å; L46-F80 HydrophobicContact CD2-CE2 3.46Å; L46-F80 VanDerWaalsContact CD2-CE2 3.46Å; L46-F80 HydrophobicContact CD2-CZ 2.97Å; L46-F80 HydrophobicContact CG-CZ 4.43Å; V68-F80 HydrophobicContact CB-CE2 4.05Å; V68-F80 HydrophobicContact CB-CZ 4.3Å; V68-F80 HydrophobicContact CG1-CD2 4.06Å; V68-F80 HydrophobicContact CG1-CE2 3.41Å; V68-F80 VanDerWaalsContact CG1-CE2 3.41Å; V68-F80 HydrophobicContact CG1-CZ 4.08Å; V68-F80 HydrophobicContact CG2-CE2 3.44Å; V68-F80 VanDerWaalsContact CG2-CE2 3.44Å; V68-F80 HydrophobicContact CG2-CZ 3.38Å; L71-F80 HydrophobicContact CD1-CB 4.3Å; L71-F80 HydrophobicContact CD1-CD2 3.65Å; L71-F80 HydrophobicContact CD1-CG 4.46Å; F80-I82 HydrophobicContact CD1-CG2 3.92Å; F80-I82 HydrophobicContact CE1-CG2 3.12Å; F80-I82 HydrophobicContact CE2-CG2 4.5Å; F80-I82 HydrophobicContact CZ-CG2 3.46Å; F80-I82 VanDerWaalsContact CZ-CG2 3.46Å; F80-T91 CarbonylContact O-C 3.58Å; F80-T91 WeakPolarHBondContact O-CA 3.21Å; F80-M92 HydrophobicContact CD1-CE 3.4Å; F80-M92 HydrophobicContact CE1-CE 3.57Å; F80-M92 PolarHBondContact N-O 3.44Å; F80-M92 PolarHBondContact O-N 3.5Å; F80-F94 HydrophobicContact CB-CD2 4.13Å; F80-F94 HydrophobicContact CB-CE2 3.9Å; F80-F94 HydrophobicContact CD1-CE2 4.38Å; F80-F94 HydrophobicContact CG-CE2 4.4Å |
| 81 | T | 88.1 | Confident | 87.2 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.9 | -178.6 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | R69 Y70 F89 H90 T91 | R69-T81 PolarHBondContact N-O 3.15Å; Y70-T81 HydrophobicContact CD2-CG2 4.2Å; Y70-T81 PolarHBondContact N-O 2.98Å; Y70-T81 PolarHBondContact O-N 3.14Å; T81-F89 HydrophobicContact CG2-CB 4.07Å; T81-F89 HydrophobicContact CG2-CD1 3.86Å; T81-F89 HydrophobicContact CG2-CG 4.43Å; T81-H90 WeakPolarHBondContact CA-O 3.5Å; T81-T91 WeakPolarHBondContact OG1-CG2 3.5Å; T81-T91 PolarHBondContact OG1-OG1 2.96Å |
| 82 | I | 88.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 155.7 | 173.8 | 63.7 | 177.2 | 0 | 0 | 0 | 111.6 | H63 F67 F80 R84 F89 H90 | H63-I82 WeakPolarHBondContact CE1-CD1 3.08Å; H63-I82 WeakPolarHBondContact ND1-CD1 3.33Å; H63-I82 VanDerWaalsContact NE2-CD1 3.29Å; H63-I82 WeakPolarHBondContact NE2-CD1 3.43Å; F67-I82 CarbonylContact O-C 3.15Å; F67-I82 WeakPolarHBondContact O-CA 3.34Å; F80-I82 HydrophobicContact CD1-CG2 3.92Å; F80-I82 HydrophobicContact CE1-CG2 3.12Å; F80-I82 HydrophobicContact CE2-CG2 4.5Å; F80-I82 HydrophobicContact CZ-CG2 3.46Å; F80-I82 VanDerWaalsContact CZ-CG2 3.46Å; I82-R84 HydrophobicContact CD1-CG 4.39Å; I82-F89 CarbonylContact O-C 3.46Å; I82-F89 WeakPolarHBondContact O-CA 3.41Å; I82-H90 HydrophobicContact CD1-CB 4.11Å; I82-H90 HydrophobicContact CG1-CB 3.76Å; I82-H90 WeakPolarHBondContact CG1-O 3.28Å; I82-H90 PolarHBondContact N-O 3.25Å; I82-H90 PolarHBondContact O-N 2.79Å |
| 83 | Q | 85.3 | Confident | 87.5 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 12% | 0.121 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 103.2 | 171.9 | -171.7 | -173 | 27.5 | 0 | 0 | 109.6 | F67 R69 Q85 A86 F89 | F67-Q83 PolarHBondContact O-N 3.04Å; R69-Q83 HydrophobicContact CG-CB 3.56Å; R69-Q83 VanDerWaalsContact NH2-OE1 3.09Å; Q83-Q85 WeakPolarHBondContact CG-O 3.27Å; Q83-A86 PolarHBondContact NE2-O 2.85Å; Q83-F89 HydrophobicContact CB-CD1 3.95Å; Q83-F89 HydrophobicContact CB-CE1 3.95Å; Q83-F89 HydrophobicContact CG-CD1 4.2Å; Q83-F89 HydrophobicContact CG-CE1 4Å; Q83-F89 HydrophobicContact CG-CZ 4.24Å |
| 84 | R | 80.9 | Confident | 87.6 | Confident | 143 Ų | 143 | 72.2 Ų | 72.2 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -27.3 | 176.8 | -67.2 | 178.7 | 176.7 | -171.3 | -8.6 | 112.6 | H63 F67 I82 | H63-R84 VanDerWaalsContact CE1-CZ 3.44Å; H63-R84 PolarHBondContact CE1-NE 2.95Å; H63-R84 VanDerWaalsContact CE1-NE 3.31Å; H63-R84 PolarHBondContact CE1-NH2 2.9Å; H63-R84 PolarHBondContact ND1-NE 3.16Å; H63-R84 PolarHBondContact ND1-NH2 3.31Å; H63-R84 VanDerWaalsContact ND1-NH2 3.17Å; F67-R84 HydrophobicContact CD2-CG 4.17Å; I82-R84 HydrophobicContact CD1-CG 4.39Å |
| 85 | Q | 83.1 | Confident | 87.8 | Confident | 112 Ų | 112 | 67.5 Ų | 67.5 | 52% | 0.523 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.2 | -178.2 | -65.4 | 178.9 | -16.7 | 0 | 0 | 108.4 | Q83 S87 K88 | Q83-Q85 WeakPolarHBondContact CG-O 3.27Å; Q85-S87 PolarHBondContact O-N 2.93Å; Q85-K88 HydrophobicContact CB-CB 4.36Å; Q85-K88 PolarHBondContact O-N 2.63Å |
| 86 | A | 76.6 | Confident | 88.1 | Confident | 98 Ų | 98 | 61.9 Ų | 61.9 | 81% | 0.81 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -23.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q83 | Q83-A86 PolarHBondContact NE2-O 2.85Š|
| 87 | S | 79.1 | Confident | 88.2 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 71% | 0.713 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 2.5 | -179.1 | 55 | 0 | 0 | 0 | 0 | 115 | Q85 | Q85-S87 PolarHBondContact O-N 2.93Š|
| 88 | K | 83.7 | Confident | 88.1 | Confident | 132 Ų | 132 | 62.3 Ų | 62.3 | 57% | 0.574 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 111.3 | -175.7 | -64.3 | -169.6 | -175.8 | 175 | 0 | 111.9 | Q85 | Q85-K88 HydrophobicContact CB-CB 4.36Å; Q85-K88 PolarHBondContact O-N 2.63Å |
| 89 | F | 86.3 | Confident | 88.1 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 48% | 0.482 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 137.1 | 168.9 | -62.7 | -91.1 | 0 | 0 | 0 | 109.3 | R69 Y70 T81 I82 Q83 | R69-F89 HydrophobicContact CB-CE1 4.47Å; R69-F89 HydrophobicContact CG-CE1 4.12Å; Y70-F89 HydrophobicContact CE2-CE1 4.42Å; T81-F89 HydrophobicContact CG2-CB 4.07Å; T81-F89 HydrophobicContact CG2-CD1 3.86Å; T81-F89 HydrophobicContact CG2-CG 4.43Å; I82-F89 CarbonylContact O-C 3.46Å; I82-F89 WeakPolarHBondContact O-CA 3.41Å; Q83-F89 HydrophobicContact CB-CD1 3.95Å; Q83-F89 HydrophobicContact CB-CE1 3.95Å; Q83-F89 HydrophobicContact CG-CD1 4.2Å; Q83-F89 HydrophobicContact CG-CE1 4Å; Q83-F89 HydrophobicContact CG-CZ 4.24Å |
| 90 | H | 88.2 | Confident | 88.1 | Confident | 104 Ų | 104 | 65.2 Ų | 65.2 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120 | 169.7 | -178.6 | 68.4 | 0 | 0 | 0 | 107.9 | T81 I82 M92 | T81-H90 WeakPolarHBondContact CA-O 3.5Å; I82-H90 HydrophobicContact CD1-CB 4.11Å; I82-H90 HydrophobicContact CG1-CB 3.76Å; I82-H90 WeakPolarHBondContact CG1-O 3.28Å; I82-H90 PolarHBondContact N-O 3.25Å; I82-H90 PolarHBondContact O-N 2.79Å; H90-M92 WeakPolarHBondContact NE2-CG 3.38Å |
| 91 | T | 89.3 | Confident | 88.3 | Confident | 70 Ų | 70 | 65.2 Ų | 65.2 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.9 | 179 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | E79 F80 T81 | E79-T91 HydrophobicContact CB-CG2 4.48Å; F80-T91 CarbonylContact O-C 3.58Å; F80-T91 WeakPolarHBondContact O-CA 3.21Å; T81-T91 WeakPolarHBondContact OG1-CG2 3.5Å; T81-T91 PolarHBondContact OG1-OG1 2.96Å |
| 92 | M | 89.9 | Confident | 88.4 | Confident | 24 Ų | 24 | 65.6 Ų | 65.6 | 12% | 0.118 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.5 | 171.5 | -64.5 | -176.8 | -72.2 | 0 | 0 | 107.8 | V48 V61 F80 H90 F94 | V48-M92 HydrophobicContact CG2-CE 4.24Å; V61-M92 HydrophobicContact CG2-SD 4.41Å; F80-M92 HydrophobicContact CD1-CE 3.4Å; F80-M92 HydrophobicContact CE1-CE 3.57Å; F80-M92 PolarHBondContact N-O 3.44Å; F80-M92 PolarHBondContact O-N 3.5Å; H90-M92 WeakPolarHBondContact NE2-CG 3.38Å; M92-F94 HydrophobicContact CB-CD2 4.35Å; M92-F94 HydrophobicContact CB-CE2 3.53Å; M92-F94 HydrophobicContact CB-CZ 3.69Å; M92-F94 HydrophobicContact CE-CE2 4.38Å; M92-F94 HydrophobicContact CE-CZ 4.2Å; M92-F94 HydrophobicContact CG-CZ 4.43Å; M92-F94 HydrophobicContact SD-CZ 4.01Å |
| 93 | I | 92.2 | Very high | 88.5 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 38% | 0.379 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.5 | 176.1 | -57.2 | 178.4 | 0 | 0 | 0 | 107.2 | Q77 E79 | Q77-I93 HydrophobicContact CB-CG2 4.12Å; Q77-I93 HydrophobicContact CG-CG2 4Å; E79-I93 HydrophobicContact CG-CG1 4.4Å |
| 94 | F | 94.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 2% | 0.022 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.2 | 175.9 | -58.2 | -78.1 | 0 | 0 | 0 | 109.2 | V26 E27 I28 L39 V48 Q77 L78 F80 M92 | V26-F94 HydrophobicContact CB-CB 3.94Å; V26-F94 HydrophobicContact CB-CD1 4.33Å; V26-F94 HydrophobicContact CB-CG 4.42Å; V26-F94 HydrophobicContact CG1-CB 4.38Å; V26-F94 HydrophobicContact CG2-CB 3.96Å; V26-F94 HydrophobicContact CG2-CD1 3.41Å; V26-F94 VanDerWaalsContact CG2-CD1 3.41Å; V26-F94 HydrophobicContact CG2-CE1 4.16Å; V26-F94 HydrophobicContact CG2-CG 3.9Å; E27-F94 CarbonylContact O-C 3.57Å; E27-F94 VanDerWaalsContact O-CA 3.31Å; E27-F94 WeakPolarHBondContact O-CA 3.42Å; I28-F94 HydrophobicContact CG2-CD1 3.38Å; I28-F94 HydrophobicContact CG2-CE1 3.66Å; I28-F94 HydrophobicContact CG2-CG 4.47Å; L39-F94 HydrophobicContact CD1-CD2 4.02Å; L39-F94 HydrophobicContact CD1-CE2 4.22Å; L39-F94 HydrophobicContact CD1-CG 4.25Å; L39-F94 HydrophobicContact CD2-CE1 4.01Å; L39-F94 HydrophobicContact CD2-CE2 4.05Å; L39-F94 HydrophobicContact CD2-CZ 3.76Å; V48-F94 HydrophobicContact CG1-CE1 4.22Å; V48-F94 HydrophobicContact CG1-CZ 4.44Å; V48-F94 HydrophobicContact CG2-CZ 4.14Å; Q77-F94 CarbonylContact C-O 3.58Å; Q77-F94 WeakPolarHBondContact CA-O 3.47Å; L78-F94 HydrophobicContact CB-CB 4.26Å; L78-F94 PolarHBondContact N-O 3.37Å; L78-F94 PolarHBondContact O-N 3.2Å; F80-F94 HydrophobicContact CB-CD2 4.13Å; F80-F94 HydrophobicContact CB-CE2 3.9Å; F80-F94 HydrophobicContact CD1-CE2 4.38Å; F80-F94 HydrophobicContact CG-CE2 4.4Å; M92-F94 HydrophobicContact CB-CD2 4.35Å; M92-F94 HydrophobicContact CB-CE2 3.53Å; M92-F94 HydrophobicContact CB-CZ 3.69Å; M92-F94 HydrophobicContact CE-CE2 4.38Å; M92-F94 HydrophobicContact CE-CZ 4.2Å; M92-F94 HydrophobicContact CG-CZ 4.43Å; M92-F94 HydrophobicContact SD-CZ 4.01Å |
| 95 | Y | 94.8 | Very high | 89.1 | Confident | 69 Ų | 69 | 61 Ų | 61 | 27% | 0.271 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.4 | 172.6 | -59.6 | -93 | 0 | 0 | 0 | 108.8 | V26 E27 N29 D76 Q77 | V26-Y95 WeakPolarHBondContact CA-O 3.14Å; E27-Y95 PolarHBondContact N-O 2.91Å; E27-Y95 PolarHBondContact O-N 3.3Å; N29-Y95 HydrophobicContact CB-CE2 3.96Å; D76-Y95 VanDerWaalsContact O-CA 3.31Å; D76-Y95 WeakPolarHBondContact O-CA 3.46Å; Q77-Y95 HydrophobicContact CG-CD1 3.67Å; Q77-Y95 HydrophobicContact CG-CE1 3.36Å |
| 96 | C | 93.8 | Very high | 89.3 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 12% | 0.122 | 33% | 0.332 | C | S | . | . | trans | -160.5 | 167.8 | 178.7 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | V26 F73 D76 A100 | V26-C96 HydrophobicContact CB-CB 4.31Å; V26-C96 HydrophobicContact CG1-CB 3.89Å; F73-C96 VanDerWaalsContact CE2-O 3.32Å; F73-C96 WeakPolarHBondContact CE2-O 3.09Å; D76-C96 PolarHBondContact O-N 3.37Å; C96-A100 HydrophobicContact CB-CB 4.05Å | ||
| 97 | S | 93.6 | Very high | 89.9 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 49% | 0.49 | 30% | 0.299 | S | S | . | . | trans | -69.1 | 156.1 | 172.2 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | T99 A100 A101 | S97-T99 PolarHBondContact O-N 3.43Å; S97-A100 WeakPolarHBondContact O-CB 3.29Å; S97-A100 PolarHBondContact O-N 3.49Å; S97-A100 VanDerWaalsContact O-N 3.1Å; S97-A100 PolarHBondContact OG-N 3.06Å; S97-A101 PolarHBondContact O-N 2.88Å | ||
| 98 | L | 91.5 | Very high | 90.4 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 40% | 0.398 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.7 | -41.6 | 171.9 | 176.2 | 59.5 | 0 | 0 | 0 | 111.5 | F73 A100 A101 S102 F128 C131 | F73-L98 HydrophobicContact CD1-CB 4.47Å; F73-L98 HydrophobicContact CD1-CD1 3.56Å; F73-L98 HydrophobicContact CE1-CB 3.76Å; F73-L98 HydrophobicContact CE1-CD1 3.71Å; F73-L98 HydrophobicContact CE1-CG 4.3Å; F73-L98 HydrophobicContact CG-CD1 4.35Å; F73-L98 HydrophobicContact CZ-CB 4.08Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 2.75Å; L98-A101 PolarHBondContact O-N 3.27Å; L98-S102 WeakPolarHBondContact O-CB 3.39Å; L98-S102 PolarHBondContact O-N 3.25Å; L98-S102 PolarHBondContact O-OG 3.1Å; L98-S102 VanDerWaalsContact O-OG 3.07Å; L98-F128 HydrophobicContact CD1-CE1 4.5Å; L98-C131 HydrophobicContact CD1-CB 4.23Å; L98-C131 VanDerWaalsContact CD1-SG 3.5Å |
| 99 | T | 92 | Very high | 90.5 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 64% | 0.644 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60 | -42.5 | 178 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | S97 T103 | S97-T99 PolarHBondContact O-N 3.43Å; T99-T103 WeakPolarHBondContact O-CB 3.26Å; T99-T103 PolarHBondContact O-N 2.84Å; T99-T103 PolarHBondContact O-OG1 2.87Å |
| 100 | A | 91.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V24 C96 S97 L98 T103 L104 | V24-A100 HydrophobicContact CB-CB 4.24Å; V24-A100 HydrophobicContact CG1-CB 4.32Å; C96-A100 HydrophobicContact CB-CB 4.05Å; S97-A100 WeakPolarHBondContact O-CB 3.29Å; S97-A100 PolarHBondContact O-N 3.49Å; S97-A100 VanDerWaalsContact O-N 3.1Å; S97-A100 PolarHBondContact OG-N 3.06Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 2.75Å; A100-T103 PolarHBondContact O-N 2.91Å; A100-L104 PolarHBondContact O-N 2.78Å |
| 101 | A | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F73 L78 S97 L98 L104 A105 | F73-A101 HydrophobicContact CB-CB 4.2Å; F73-A101 HydrophobicContact CD2-CB 3.46Å; F73-A101 VanDerWaalsContact CD2-CB 3.46Å; F73-A101 HydrophobicContact CE2-CB 3.99Å; F73-A101 HydrophobicContact CG-CB 3.86Å; L78-A101 HydrophobicContact CD1-CB 3.89Å; S97-A101 PolarHBondContact O-N 2.88Å; L98-A101 PolarHBondContact O-N 3.27Å; A101-L104 PolarHBondContact O-N 3Å; A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.09Å |
| 102 | S | 90 | Very high | 90.3 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.4 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | L98 L104 A105 C106 | L98-S102 WeakPolarHBondContact O-CB 3.39Å; L98-S102 PolarHBondContact O-N 3.25Å; L98-S102 PolarHBondContact O-OG 3.1Å; L98-S102 VanDerWaalsContact O-OG 3.07Å; S102-L104 VanDerWaalsContact C-N 3.34Å; S102-L104 PolarHBondContact O-N 3.35Å; S102-A105 PolarHBondContact O-N 3.3Å; S102-C106 WeakPolarHBondContact O-CB 3.45Å; S102-C106 PolarHBondContact O-N 3.2Å; S102-C106 PolarHBondContact O-SG 2.92Å |
| 103 | T | 90.2 | Very high | 90.1 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 176 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | V24 T99 A100 A105 C106 S107 | V24-T103 HydrophobicContact CG1-CG2 4.41Å; T99-T103 WeakPolarHBondContact O-CB 3.26Å; T99-T103 PolarHBondContact O-N 2.84Å; T99-T103 PolarHBondContact O-OG1 2.87Å; A100-T103 PolarHBondContact O-N 2.91Å; T103-A105 PolarHBondContact O-N 3.34Å; T103-C106 PolarHBondContact O-N 2.89Å; T103-S107 WeakPolarHBondContact O-CB 3.31Å; T103-S107 PolarHBondContact O-N 3.24Å; T103-S107 PolarHBondContact O-OG 2.84Å; T103-S107 VanDerWaalsContact O-OG 3.09Å |
| 104 | L | 90.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.7 | -174.8 | 74.7 | 0 | 0 | 0 | 111.6 | V24 L39 I41 L46 L71 L78 A100 A101 S102 S107 L108 | V24-L104 HydrophobicContact CG2-CB 4.15Å; V24-L104 HydrophobicContact CG2-CD1 4Å; V24-L104 HydrophobicContact CG2-CG 4.46Å; L39-L104 HydrophobicContact CB-CD1 3.95Å; L39-L104 HydrophobicContact CB-CD2 4.36Å; L39-L104 HydrophobicContact CD1-CD2 3.56Å; I41-L104 HydrophobicContact CD1-CD1 3.56Å; I41-L104 HydrophobicContact CD1-CG 4.22Å; I41-L104 HydrophobicContact CG1-CD1 3.85Å; L46-L104 HydrophobicContact CD1-CD1 4.06Å; L71-L104 HydrophobicContact CD1-CD2 4.12Å; L78-L104 HydrophobicContact CD2-CD2 3.75Å; A100-L104 PolarHBondContact O-N 2.78Å; A101-L104 PolarHBondContact O-N 3Å; S102-L104 VanDerWaalsContact C-N 3.34Å; S102-L104 PolarHBondContact O-N 3.35Å; L104-S107 PolarHBondContact O-N 3.43Å; L104-L108 VanDerWaalsContact O-CB 3.26Å; L104-L108 WeakPolarHBondContact O-CB 3.08Å; L104-L108 PolarHBondContact O-N 2.99Å |
| 105 | A | 88.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -48 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L71 A101 S102 T103 L108 A109 F128 | L71-A105 HydrophobicContact CD2-CB 3.54Å; A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.09Å; S102-A105 PolarHBondContact O-N 3.3Å; T103-A105 PolarHBondContact O-N 3.34Å; A105-L108 PolarHBondContact O-N 3.38Å; A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.42Å; A105-A109 PolarHBondContact O-N 3.09Å; A105-F128 HydrophobicContact CB-CD2 4.32Å; A105-F128 HydrophobicContact CB-CE2 3.19Å; A105-F128 HydrophobicContact CB-CZ 3.37Å |
| 106 | C | 87.9 | Confident | 88.9 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 28% | 0.284 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 176.5 | -70.3 | 0 | 0 | 0 | 0 | 111.3 | S102 T103 L108 A109 N110 | S102-C106 WeakPolarHBondContact O-CB 3.45Å; S102-C106 PolarHBondContact O-N 3.2Å; S102-C106 PolarHBondContact O-SG 2.92Å; T103-C106 PolarHBondContact O-N 2.89Å; C106-L108 VanDerWaalsContact C-N 3.33Å; C106-L108 PolarHBondContact O-N 2.98Å; C106-A109 PolarHBondContact O-N 3.49Å; C106-N110 WeakPolarHBondContact O-CB 3.38Å; C106-N110 PolarHBondContact O-N 2.85Å; C106-N110 PolarHBondContact O-ND2 2.92Å |
| 107 | S | 89 | Confident | 88.4 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 177.3 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | C22 T103 L104 S111 | C22-S107 VanDerWaalsContact CB-CB 3.48Å; C22-S107 WeakPolarHBondContact CB-OG 3.16Å; T103-S107 WeakPolarHBondContact O-CB 3.31Å; T103-S107 PolarHBondContact O-N 3.24Å; T103-S107 PolarHBondContact O-OG 2.84Å; T103-S107 VanDerWaalsContact O-OG 3.09Å; L104-S107 PolarHBondContact O-N 3.43Å; S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.29Å; S107-S111 PolarHBondContact O-OG 2.9Å |
| 108 | L | 88.8 | Confident | 87.8 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 174.9 | -179.6 | 67 | 0 | 0 | 0 | 111 | I41 V65 V68 L104 A105 C106 S111 L112 V124 | I41-L108 HydrophobicContact CD1-CB 3.72Å; I41-L108 HydrophobicContact CD1-CD1 4.35Å; V65-L108 HydrophobicContact CB-CD1 3.68Å; V65-L108 HydrophobicContact CG1-CD1 3.67Å; V68-L108 HydrophobicContact CB-CD2 4.13Å; V68-L108 HydrophobicContact CG1-CD2 3.75Å; V68-L108 HydrophobicContact CG2-CD1 4.11Å; V68-L108 HydrophobicContact CG2-CD2 4.28Å; L104-L108 VanDerWaalsContact O-CB 3.26Å; L104-L108 WeakPolarHBondContact O-CB 3.08Å; L104-L108 PolarHBondContact O-N 2.99Å; A105-L108 PolarHBondContact O-N 3.38Å; C106-L108 VanDerWaalsContact C-N 3.33Å; C106-L108 PolarHBondContact O-N 2.98Å; L108-S111 PolarHBondContact O-N 3.41Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CG-CD1 4.15Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 2.88Å; L108-V124 HydrophobicContact CD2-CG1 4.29Å |
| 109 | A | 86.2 | Confident | 87.2 | Confident | 12 Ų | 12 | 47 Ų | 47 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -49.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A105 C106 S111 L112 V113 M121 | A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.42Å; A105-A109 PolarHBondContact O-N 3.09Å; C106-A109 PolarHBondContact O-N 3.49Å; A109-S111 VanDerWaalsContact C-N 3.3Å; A109-S111 PolarHBondContact O-N 2.91Å; A109-L112 PolarHBondContact O-N 3.41Å; A109-V113 WeakPolarHBondContact O-CG2 3.36Å; A109-V113 PolarHBondContact O-N 2.75Å; A109-M121 HydrophobicContact CB-CE 3.39Å |
| 110 | N | 86.1 | Confident | 86.4 | Confident | 92 Ų | 92 | 44.1 Ų | 44.1 | 49% | 0.492 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.1 | -71.5 | -15 | 0 | 0 | 0 | 111.8 | C106 H114 | C106-N110 WeakPolarHBondContact O-CB 3.38Å; C106-N110 PolarHBondContact O-N 2.85Å; C106-N110 PolarHBondContact O-ND2 2.92Å; N110-H114 WeakPolarHBondContact O-CB 3.37Å; N110-H114 PolarHBondContact O-N 3.28Å |
| 111 | S | 86.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 177.2 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | I41 K43 S107 L108 A109 Y115 | I41-S111 VanDerWaalsContact CG2-OG 3.29Å; I41-S111 WeakPolarHBondContact CG2-OG 3.47Å; K43-S111 WeakPolarHBondContact O-CB 3.25Å; K43-S111 PolarHBondContact O-OG 2.83Å; S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.29Å; S107-S111 PolarHBondContact O-OG 2.9Å; L108-S111 PolarHBondContact O-N 3.41Å; A109-S111 VanDerWaalsContact C-N 3.3Å; A109-S111 PolarHBondContact O-N 2.91Å; S111-Y115 WeakPolarHBondContact O-CB 3.41Å; S111-Y115 VanDerWaalsContact O-CD2 3.25Å; S111-Y115 WeakPolarHBondContact O-CD2 3.41Å; S111-Y115 PolarHBondContact O-N 2.74Å |
| 112 | L | 86.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 177.5 | -75.7 | 166 | 0 | 0 | 0 | 111.9 | V65 T66 L108 A109 H114 F116 W119 M121 V124 | V65-L112 HydrophobicContact CB-CD2 4.17Å; V65-L112 HydrophobicContact CB-CG 4.4Å; V65-L112 HydrophobicContact CG2-CD2 3.79Å; V65-L112 HydrophobicContact CG2-CG 4.25Å; T66-L112 HydrophobicContact CG2-CD2 4.24Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CG-CD1 4.15Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 2.88Å; A109-L112 PolarHBondContact O-N 3.41Å; L112-H114 VanDerWaalsContact C-N 3.33Å; L112-H114 PolarHBondContact O-N 2.65Å; L112-F116 HydrophobicContact CD2-CD2 4.3Å; L112-F116 CarbonylContact O-C 3.45Å; L112-F116 VanDerWaalsContact O-C 3.29Å; L112-F116 VanDerWaalsContact O-CA 3.3Å; L112-F116 WeakPolarHBondContact O-CA 3.25Å; L112-F116 WeakPolarHBondContact O-CB 3.43Å; L112-F116 PolarHBondContact O-N 2.9Å; L112-W119 HydrophobicContact CD2-CD2 4.32Å; L112-W119 HydrophobicContact CD2-CG 4.05Å; L112-M121 HydrophobicContact CB-SD 4.18Å; L112-V124 HydrophobicContact CD1-CG2 3.55Å |
| 113 | V | 85.9 | Confident | 82.6 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | A109 M121 | A109-V113 WeakPolarHBondContact O-CG2 3.36Å; A109-V113 PolarHBondContact O-N 2.75Å; V113-M121 HydrophobicContact CG2-CE 4.26Å; V113-M121 HydrophobicContact CG2-CG 4.2Å; V113-M121 HydrophobicContact CG2-SD 3.86Å |
| 114 | H | 84.8 | Confident | 81.2 | Confident | 126 Ų | 126 | 53.3 Ų | 53.3 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -72.3 | -45.7 | -176.3 | -175.4 | 70.2 | 0 | 0 | 0 | 113 | N110 L112 | N110-H114 WeakPolarHBondContact O-CB 3.37Å; N110-H114 PolarHBondContact O-N 3.28Å; L112-H114 VanDerWaalsContact C-N 3.33Å; L112-H114 PolarHBondContact O-N 2.65Å |
| 115 | Y | 84.5 | Confident | 79.5 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 28% | 0.275 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -91.9 | -20 | -174.9 | -68 | -69 | 0 | 0 | 0 | 114.1 | Y21 K43 F44 S111 | Y21-Y115 HydrophobicContact CE2-CE2 4.27Å; Y21-Y115 PolarHBondContact OH-OH 2.95Å; K43-Y115 HydrophobicContact CB-CE1 4.37Å; K43-Y115 HydrophobicContact CB-CE2 3.88Å; K43-Y115 WeakPolarHBondContact CG-OH 3.43Å; K43-Y115 WeakPolarHBondContact O-CE2 3.34Å; F44-Y115 HydrophobicContact CB-CD2 4.4Å; F44-Y115 HydrophobicContact CB-CG 4.34Å; S111-Y115 WeakPolarHBondContact O-CB 3.41Å; S111-Y115 VanDerWaalsContact O-CD2 3.25Å; S111-Y115 WeakPolarHBondContact O-CD2 3.41Å; S111-Y115 PolarHBondContact O-N 2.74Å |
| 116 | F | 87 | Confident | 77.8 | Confident | 60 Ų | 60 | 60 Ų | 60 | 26% | 0.263 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -135.6 | 69.7 | -178.3 | -53.2 | -82.3 | 0 | 0 | 0 | 110.9 | F44 V65 T66 L112 G118 W119 | F44-F116 HydrophobicContact CB-CE2 3.76Å; F44-F116 HydrophobicContact CB-CZ 3.96Å; V65-F116 HydrophobicContact CG2-CD2 4.32Å; V65-F116 HydrophobicContact CG2-CE2 3.81Å; T66-F116 HydrophobicContact CG2-CD1 3.83Å; T66-F116 HydrophobicContact CG2-CD2 3.6Å; T66-F116 HydrophobicContact CG2-CE1 3.74Å; T66-F116 HydrophobicContact CG2-CE2 3.5Å; T66-F116 VanDerWaalsContact CG2-CE2 3.5Å; T66-F116 HydrophobicContact CG2-CG 3.76Å; T66-F116 HydrophobicContact CG2-CZ 3.57Å; L112-F116 HydrophobicContact CD2-CD2 4.3Å; L112-F116 CarbonylContact O-C 3.45Å; L112-F116 VanDerWaalsContact O-C 3.29Å; L112-F116 VanDerWaalsContact O-CA 3.3Å; L112-F116 WeakPolarHBondContact O-CA 3.25Å; L112-F116 WeakPolarHBondContact O-CB 3.43Å; L112-F116 PolarHBondContact O-N 2.9Å; F116-G118 PolarHBondContact O-N 3.12Å; F116-W119 HydrophobicContact CB-CB 4.07Å; F116-W119 VanDerWaalsContact O-CB 3.25Å; F116-W119 WeakPolarHBondContact O-CB 3.38Å; F116-W119 PolarHBondContact O-N 3Å |
| 117 | P | 83.3 | Confident | 75.9 | Confident | 113 Ų | 113 | 58.2 Ų | 58.2 | 73% | 0.734 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 130.8 | 176.5 | -24.7 | 34.2 | 0 | 0 | 0 | 111.4 | ||
| 118 | G | 81.1 | Confident | 73.9 | Confident | 83 Ų | 83 | 58.4 Ų | 58.4 | 86% | 0.856 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F116 | F116-G118 PolarHBondContact O-N 3.12Š|
| 119 | W | 79.8 | Confident | 71.8 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 25% | 0.25 | 35% | 0.349 | C | S | . | . | trans | -59.2 | 132.8 | 172.2 | -169.4 | -96.6 | 0 | 0 | 0 | 110.9 | T66 L112 F116 M121 | T66-W119 HydrophobicContact CG2-CD2 4.5Å; T66-W119 HydrophobicContact CG2-CE3 4.15Å; T66-W119 HydrophobicContact CG2-CH2 4.05Å; T66-W119 HydrophobicContact CG2-CZ2 4.39Å; T66-W119 HydrophobicContact CG2-CZ3 3.92Å; T66-W119 WeakPolarHBondContact O-CH2 3.37Å; T66-W119 WeakPolarHBondContact O-CZ2 3.48Å; L112-W119 HydrophobicContact CD2-CD2 4.32Å; L112-W119 HydrophobicContact CD2-CG 4.05Å; F116-W119 HydrophobicContact CB-CB 4.07Å; F116-W119 VanDerWaalsContact O-CB 3.25Å; F116-W119 WeakPolarHBondContact O-CB 3.38Å; F116-W119 PolarHBondContact O-N 3Å; W119-M121 PolarHBondContact O-N 3.14Å | ||
| 120 | P | 74.1 | Confident | 69.5 | Low | 44 Ų | 44 | 70.4 Ų | 70.4 | 29% | 0.286 | 38% | 0.377 | S | S | . | . | trans | -66.6 | 101.1 | -176.8 | 21.7 | -29.8 | 0 | 0 | 0 | 111.6 | R122 | P120-R122 VanDerWaalsContact C-N 3.25Å; P120-R122 HydrophobicContact CB-CG 4.42Å; P120-R122 PolarHBondContact O-N 2.82Å | ||
| 121 | M | 68.1 | Low | 67 | Low | 45 Ų | 45 | 67.4 Ų | 67.4 | 22% | 0.222 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.4 | -177.5 | -73.5 | -57 | -66.8 | 0 | 0 | 114.7 | A109 L112 V113 W119 W123 V124 L125 | A109-M121 HydrophobicContact CB-CE 3.39Å; L112-M121 HydrophobicContact CB-SD 4.18Å; V113-M121 HydrophobicContact CG2-CE 4.26Å; V113-M121 HydrophobicContact CG2-CG 4.2Å; V113-M121 HydrophobicContact CG2-SD 3.86Å; W119-M121 PolarHBondContact O-N 3.14Å; M121-W123 PolarHBondContact O-N 3.01Å; M121-V124 HydrophobicContact CE-CB 4.42Å; M121-V124 PolarHBondContact O-N 3.39Å; M121-L125 HydrophobicContact CB-CD1 4.38Å; M121-L125 PolarHBondContact O-N 2.74Å; M121-L125 VanDerWaalsContact O-N 3.15Å |
| 122 | R | 68 | Low | 64.2 | Low | 172 Ų | 172 | 77 Ų | 77 | 65% | 0.649 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -52.2 | -30.8 | 177.6 | 65.5 | 177.7 | -179.7 | -108.2 | 3.1 | 113.6 | P120 S126 | P120-R122 VanDerWaalsContact C-N 3.25Å; P120-R122 HydrophobicContact CB-CG 4.42Å; P120-R122 PolarHBondContact O-N 2.82Å; R122-S126 WeakPolarHBondContact O-CB 3.25Å; R122-S126 PolarHBondContact O-N 3.13Å; R122-S126 VanDerWaalsContact O-N 3.16Å; R122-S126 PolarHBondContact O-OG 2.98Å; R122-S126 VanDerWaalsContact O-OG 3.14Å |
| 123 | W | 57.3 | Low | 61.7 | Low | 75 Ų | 75 | 79.6 Ų | 79.6 | 28% | 0.284 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.3 | -32.8 | -179.6 | -63.2 | 117.5 | 0 | 0 | 0 | 112.8 | R69 Y70 M121 | R69-W123 CarbonylContact O-C 3.57Å; R69-W123 WeakPolarHBondContact O-CB 3.34Å; R69-W123 VanDerWaalsContact O-O 3.05Å; Y70-W123 HydrophobicContact CD1-CE3 4.23Å; Y70-W123 AromaticContact CE1-CE3 3.31Å; Y70-W123 HydrophobicContact CE1-CE3 3.31Å; Y70-W123 AromaticContact CE1-CZ3 3.56Å; Y70-W123 HydrophobicContact CE1-CZ3 3.56Å; Y70-W123 AromaticContact CZ-CE3 3.65Å; Y70-W123 AromaticContact CZ-CZ3 3.61Å; Y70-W123 WeakPolarHBondContact OH-CZ3 3.41Å; M121-W123 PolarHBondContact O-N 3.01Å |
| 124 | V | 60.5 | Low | 58.9 | Low | 3 Ų | 3 | 79.9 Ų | 79.9 | 2% | 0.018 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -83.7 | -38.1 | 178.1 | -176.3 | 0 | 0 | 0 | 0 | 111 | L108 L112 M121 | L108-V124 HydrophobicContact CD2-CG1 4.29Å; L112-V124 HydrophobicContact CD1-CG2 3.55Å; M121-V124 HydrophobicContact CE-CB 4.42Å; M121-V124 PolarHBondContact O-N 3.39Å |
| 125 | L | 56.2 | Low | 56.1 | Low | 106 Ų | 106 | 79.8 Ų | 79.8 | 56% | 0.555 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -82.6 | -29.2 | -171.8 | -65.8 | 174.1 | 0 | 0 | 0 | 114.9 | M121 A127 F128 | M121-L125 HydrophobicContact CB-CD1 4.38Å; M121-L125 PolarHBondContact O-N 2.74Å; M121-L125 VanDerWaalsContact O-N 3.15Å; L125-A127 PolarHBondContact O-N 3.28Å; L125-F128 PolarHBondContact O-N 3.45Å |
| 126 | S | 51.1 | Low | 53.3 | Low | 44 Ų | 44 | 82.8 Ų | 82.8 | 31% | 0.308 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -57.4 | -11.9 | 176 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | R122 E129 | R122-S126 WeakPolarHBondContact O-CB 3.25Å; R122-S126 PolarHBondContact O-N 3.13Å; R122-S126 VanDerWaalsContact O-N 3.16Å; R122-S126 PolarHBondContact O-OG 2.98Å; R122-S126 VanDerWaalsContact O-OG 3.14Å; S126-E129 WeakPolarHBondContact O-CG 3.3Å |
| 127 | A | 49.5 | Very low | 50.6 | Low | 6 Ų | 6 | 85 Ų | 85 | 5% | 0.05 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -95.9 | -4.2 | -168 | 0 | 0 | 0 | 0 | 0 | 113.6 | L71 R72 L125 | L71-A127 WeakPolarHBondContact O-CB 3.18Å; R72-A127 WeakPolarHBondContact CA-O 3.38Å; R72-A127 HydrophobicContact CB-CB 4.3Å; L125-A127 PolarHBondContact O-N 3.28Å |
| 128 | F | 46.6 | Very low | 47.9 | Very low | 21 Ų | 21 | 90.8 Ų | 90.8 | 9% | 0.092 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -105.5 | 15 | 170.1 | -75 | -90.7 | 0 | 0 | 0 | 113.4 | L71 F73 L98 A105 L125 S130 C131 V133 | L71-F128 HydrophobicContact CD2-CE2 4.28Å; F73-F128 HydrophobicContact CB-CE1 4.38Å; L98-F128 HydrophobicContact CD1-CE1 4.5Å; A105-F128 HydrophobicContact CB-CD2 4.32Å; A105-F128 HydrophobicContact CB-CE2 3.19Å; A105-F128 HydrophobicContact CB-CZ 3.37Å; L125-F128 PolarHBondContact O-N 3.45Å; F128-S130 PolarHBondContact O-N 3.19Å; F128-C131 HydrophobicContact CD1-CB 4.09Å; F128-C131 CarbonylContact O-C 3.53Å; F128-C131 PolarHBondContact O-N 2.92Å; F128-V133 HydrophobicContact CB-CG2 4.01Å; F128-V133 HydrophobicContact CD1-CG2 3.33Å; F128-V133 HydrophobicContact CE1-CG2 4Å; F128-V133 HydrophobicContact CG-CG2 3.82Å |
| 129 | E | 43.7 | Very low | 45.5 | Very low | 171 Ų | 171 | 94.6 Ų | 94.6 | 80% | 0.799 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -16.7 | -175.9 | -77.3 | 175.5 | -179.4 | 0 | 0 | 115.4 | S126 | S126-E129 WeakPolarHBondContact O-CG 3.3Š|
| 130 | S | 39.2 | Very low | 43.8 | Very low | 96 Ų | 96 | 96.1 Ų | 96.1 | 67% | 0.671 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -2.6 | 172.6 | 55.1 | 0 | 0 | 0 | 0 | 115.1 | F128 | F128-S130 PolarHBondContact O-N 3.19Š|
| 131 | C | 33.4 | Very low | 42.2 | Very low | 29 Ų | 29 | 98.8 Ų | 98.8 | 20% | 0.196 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -112.2 | 120.6 | 169.9 | -73.5 | 0 | 0 | 0 | 0 | 107.4 | L98 F128 V133 | L98-C131 HydrophobicContact CD1-CB 4.23Å; L98-C131 VanDerWaalsContact CD1-SG 3.5Å; F128-C131 HydrophobicContact CD1-CB 4.09Å; F128-C131 CarbonylContact O-C 3.53Å; F128-C131 PolarHBondContact O-N 2.92Å; C131-V133 HydrophobicContact CB-CG2 4.08Å; C131-V133 PolarHBondContact O-N 3.37Å |
| 132 | E | 27.6 | Very low | 40.8 | Very low | 201 Ų | 201 | 101.8 Ų | 101.8 | 94% | 0.939 | 55% | 0.546 | S | S | * | . | trans | -60.3 | 72.7 | 161.4 | -67.9 | 178.9 | 152.3 | 0 | 0 | 109 | S134 | E132-S134 PolarHBondContact O-N 2.86Š| ||
| 133 | V | 34 | Very low | 39.2 | Very low | 56 Ų | 56 | 97.6 Ų | 97.6 | 34% | 0.339 | 54% | 0.54 | S | S | . | . | trans | -74.6 | 86.5 | 160 | -177.2 | 0 | 0 | 0 | 0 | 103.4 | F128 C131 T135 | F128-V133 HydrophobicContact CB-CG2 4.01Å; F128-V133 HydrophobicContact CD1-CG2 3.33Å; F128-V133 HydrophobicContact CE1-CG2 4Å; F128-V133 HydrophobicContact CG-CG2 3.82Å; C131-V133 HydrophobicContact CB-CG2 4.08Å; C131-V133 PolarHBondContact O-N 3.37Å; V133-T135 PolarHBondContact O-N 2.94Å | ||
| 134 | S | 26.7 | Very low | 38 | Very low | 91 Ų | 91 | 99.1 Ų | 99.1 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | trans | -38.3 | 105 | 164.5 | 35.5 | 0 | 0 | 0 | 0 | 108.1 | E132 N136 | E132-S134 PolarHBondContact O-N 2.86Å; S134-N136 PolarHBondContact O-N 2.86Å | ||
| 135 | T | 27.2 | Very low | 36.5 | Very low | 124 Ų | 124 | 105.5 Ų | 105.5 | 76% | 0.761 | 59% | 0.592 | S | S | * | * | trans | -65.4 | 72.6 | 169.8 | 34.6 | 0 | 0 | 0 | 0 | 108.4 | V133 | V133-T135 PolarHBondContact O-N 2.94Š| ||
| 136 | N | 24.5 | Very low | 35.1 | Very low | 133 Ų | 133 | 105.4 Ų | 105.4 | 71% | 0.711 | 59% | 0.594 | S | S | * | * | trans | -103 | 64.7 | 158.6 | -79.6 | -18.2 | 0 | 0 | 0 | 107.3 | S134 | S134-N136 PolarHBondContact O-N 2.86Š| ||
| 137 | I | 31.4 | Very low | 33.9 | Very low | 107 Ų | 107 | 110.2 Ų | 110.2 | 55% | 0.549 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -113.5 | 3 | 165.3 | -57.6 | 179.3 | 0 | 0 | 0 | 110.4 | ||
| 138 | Y | 25.8 | Very low | 32.6 | Very low | 233 Ų | 233 | 118.8 Ų | 118.8 | 91% | 0.914 | 66% | 0.664 | S | S | * | * | trans | -126.6 | 73.5 | 167.1 | -68.7 | -78.8 | 0 | 0 | 0 | 109.9 | ||||
| 139 | A | 31 | Very low | 31.3 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 100% | 1.355 | 72% | 0.716 | S | S | * | * | trans | -143.5 | 0 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 139 of 139 residues in 32.7 ms
(Link to these results)