| 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 | 46.1 | Very low | 79.8 | Confident | 218 Ų | 218 | 65.1 Ų | 65.1 | 100% | 1.074 | 31% | 0.314 | S | S | * | . | 0 | 127.8 | 0 | -165.3 | 177.4 | -166.3 | 0 | 0 | 109.3 | |||||
| 2 | V | 57.4 | Low | 80.9 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 120.5 | 166.7 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | Y4 K84 P144 | V2-Y4 HydrophobicContact CB-CE2 4.02Å; V2-Y4 HydrophobicContact CG1-CD2 4.15Å; V2-Y4 HydrophobicContact CG1-CE1 4.37Å; V2-Y4 HydrophobicContact CG1-CE2 3.68Å; V2-K84 HydrophobicContact CG1-CB 4.48Å; V2-K84 HydrophobicContact CG1-CD 3.93Å; V2-K84 HydrophobicContact CG1-CG 3.91Å; V2-P144 HydrophobicContact CG2-CG 4.05Å |
| 3 | V | 65.6 | Low | 81.7 | Confident | 74 Ų | 74 | 69.8 Ų | 69.8 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 129.1 | 172.1 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | L85 | V3-L85 HydrophobicContact CB-CB 4.17Å; V3-L85 HydrophobicContact CB-CD2 4Å; V3-L85 HydrophobicContact CG1-CB 4.12Å; V3-L85 HydrophobicContact CG1-CD2 3.55Å; V3-L85 HydrophobicContact CG1-CG 4.49Å; V3-L85 VanDerWaalsContact O-CB 3.31Å; V3-L85 WeakPolarHBondContact O-CB 3.15Å; V3-L85 PolarHBondContact O-N 2.85Å |
| 4 | Y | 75.3 | Confident | 82.4 | Confident | 102 Ų | 102 | 64.9 Ų | 64.9 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 156.4 | 170.9 | -68 | -90.4 | 0 | 0 | 0 | 109.4 | V2 L82 K84 | V2-Y4 HydrophobicContact CB-CE2 4.02Å; V2-Y4 HydrophobicContact CG1-CD2 4.15Å; V2-Y4 HydrophobicContact CG1-CE1 4.37Å; V2-Y4 HydrophobicContact CG1-CE2 3.68Å; Y4-L82 HydrophobicContact CD1-CB 3.92Å; Y4-L82 WeakPolarHBondContact CD1-O 3.47Å; Y4-L82 HydrophobicContact CG-CB 4.25Å; Y4-K84 HydrophobicContact CD1-CG 3.85Å; Y4-K84 HydrophobicContact CE1-CD 4.25Å; Y4-K84 HydrophobicContact CE1-CG 3.39Å; Y4-K84 WeakPolarHBondContact OH-CE 3.37Å |
| 5 | H | 79.9 | Confident | 83 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 145.2 | 160.6 | -72.7 | -86 | 0 | 0 | 0 | 109.8 | N8 L82 A83 L85 | H5-N8 HydrophobicContact CB-CB 3.64Å; H5-L82 WeakPolarHBondContact O-CD2 3.48Å; H5-A83 PolarHBondContact CD2-O 2.99Å; H5-A83 PolarHBondContact N-O 2.98Å; H5-L85 WeakPolarHBondContact CE1-CD1 3.33Å; H5-L85 WeakPolarHBondContact NE2-CD1 3.31Å |
| 6 | D | 87 | Confident | 83.4 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -43.3 | 170.8 | 58.2 | -24 | 0 | 0 | 0 | 112.3 | A61 | D6-A61 WeakPolarHBondContact O-CB 3.12Å |
| 7 | R | 91.9 | Very high | 83.7 | Confident | 103 Ų | 103 | 64.5 Ų | 64.5 | 39% | 0.389 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -19.9 | -170.7 | -66 | 157.5 | -147.4 | -119.7 | 1 | 115.7 | Y55 E56 | R7-Y55 WeakPolarHBondContact CB-O 3.44Å; R7-Y55 PolarHBondContact O-N 2.76Å; R7-E56 WeakPolarHBondContact CD-O 3.38Å; R7-E56 PolarHBondContact NH1-O 3.37Å |
| 8 | N | 93.3 | Very high | 84.1 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121.6 | -171.3 | 178.8 | 19 | 0 | 0 | 0 | 110.2 | H5 E54 A83 | H5-N8 HydrophobicContact CB-CB 3.64Å; N8-E54 HydrophobicContact CB-CB 4.39Å; N8-E54 HydrophobicContact CB-CG 4.39Å; N8-A83 HydrophobicContact CB-CB 4.34Å; N8-A83 WeakPolarHBondContact O-CB 3.3Å; N8-A83 PolarHBondContact O-N 3.23Å |
| 9 | L | 94.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 145.3 | 179 | -56.2 | -172.5 | 0 | 0 | 0 | 111.1 | F27 F52 C53 Y55 A61 A64 I65 V80 S81 L82 | L9-F27 HydrophobicContact CD1-CD1 4.48Å; L9-F27 HydrophobicContact CD1-CE1 4.26Å; L9-F52 VanDerWaalsContact O-CA 3.25Å; L9-F52 WeakPolarHBondContact O-CA 3.31Å; L9-C53 PolarHBondContact N-O 2.87Å; L9-C53 PolarHBondContact O-N 2.86Å; L9-Y55 HydrophobicContact CD1-CD2 4.31Å; L9-Y55 HydrophobicContact CD1-CE2 3.78Å; L9-Y55 HydrophobicContact CG-CD2 4.5Å; L9-Y55 HydrophobicContact CG-CE2 4.42Å; L9-A61 HydrophobicContact CD2-CB 3.96Å; L9-A61 HydrophobicContact CG-CB 4.29Å; L9-A64 HydrophobicContact CD1-CB 3.89Å; L9-I65 HydrophobicContact CD1-CG1 4.29Å; L9-I65 HydrophobicContact CD2-CD1 3.67Å; L9-I65 HydrophobicContact CD2-CG1 3.69Å; L9-V80 HydrophobicContact CB-CG1 4.47Å; L9-V80 HydrophobicContact CD1-CG1 3.8Å; L9-S81 CarbonylContact C-O 3.54Å; L9-S81 WeakPolarHBondContact CA-O 3.2Å; L9-L82 HydrophobicContact CD2-CD2 3.87Å |
| 10 | I | 93.2 | Very high | 84.9 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 20% | 0.195 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.9 | 160.9 | -171.5 | 173.7 | 0 | 0 | 0 | 109.1 | F52 S81 A83 | I10-F52 HydrophobicContact CB-CD1 4.08Å; I10-F52 HydrophobicContact CB-CE1 3.84Å; I10-F52 HydrophobicContact CD1-CE1 3.93Å; I10-F52 HydrophobicContact CD1-CZ 4.01Å; I10-F52 HydrophobicContact CG1-CD1 4.26Å; I10-F52 HydrophobicContact CG1-CE1 3.81Å; I10-F52 HydrophobicContact CG1-CZ 4.2Å; I10-S81 WeakPolarHBondContact CG2-OG 3.46Å; I10-S81 PolarHBondContact N-O 3.38Å; I10-S81 PolarHBondContact O-N 2.89Å; I10-S81 VanDerWaalsContact O-N 3.12Å; I10-A83 HydrophobicContact CB-CB 4.32Å |
| 11 | I | 93.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.5 | -176 | -57.7 | 162.9 | 0 | 0 | 0 | 107.2 | I14 L23 F27 F50 G51 C53 L78 V80 | I11-I14 HydrophobicContact CB-CD1 4.34Å; I11-I14 HydrophobicContact CG2-CD1 4.02Å; I11-I14 HydrophobicContact CG2-CG1 3.87Å; I11-L23 HydrophobicContact CD1-CD1 4.5Å; I11-L23 HydrophobicContact CD1-CD2 3.71Å; I11-L23 HydrophobicContact CG2-CD1 4.37Å; I11-F27 HydrophobicContact CD1-CD1 4.04Å; I11-F27 HydrophobicContact CD1-CD2 4.17Å; I11-F27 HydrophobicContact CD1-CE1 3.55Å; I11-F27 HydrophobicContact CD1-CE2 3.7Å; I11-F27 HydrophobicContact CD1-CG 4.35Å; I11-F27 HydrophobicContact CD1-CZ 3.37Å; I11-F27 HydrophobicContact CG1-CE1 4.07Å; I11-F27 HydrophobicContact CG1-CZ 3.83Å; I11-F27 HydrophobicContact CG2-CZ 4.26Å; I11-F50 CarbonylContact O-C 3.53Å; I11-F50 WeakPolarHBondContact O-CA 3.34Å; I11-F50 WeakPolarHBondContact O-CB 3.39Å; I11-G51 PolarHBondContact N-O 3.44Å; I11-G51 PolarHBondContact O-N 2.8Å; I11-C53 HydrophobicContact CD1-CB 3.75Å; I11-L78 HydrophobicContact CG2-CD1 4.22Å; I11-L78 HydrophobicContact CG2-CD2 4.23Å; I11-V80 HydrophobicContact CG1-CG1 4.29Å; I11-V80 HydrophobicContact CG1-CG2 4.38Å; I11-V80 HydrophobicContact CG2-CG2 4.3Å |
| 12 | N | 92.5 | Very high | 87.5 | Confident | 44 Ų | 44 | 55.4 Ų | 55.4 | 24% | 0.235 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 160 | -172.6 | -53.5 | -92.6 | 0 | 0 | 0 | 110.8 | I14 G49 L78 K79 | N12-I14 VanDerWaalsContact C-N 3.33Å; N12-G49 CarbonylContact C-O 3.48Å; N12-L78 WeakPolarHBondContact O-CA 3.19Å; N12-K79 HydrophobicContact CB-CB 4.35Å; N12-K79 PolarHBondContact N-O 3.23Å; N12-K79 PolarHBondContact ND2-O 3.2Å; N12-K79 PolarHBondContact O-N 3.15Å |
| 13 | Y | 91.6 | Very high | 89.2 | Confident | 147 Ų | 147 | 54.4 Ų | 54.4 | 58% | 0.576 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 64.8 | 29.5 | -176.8 | -49.8 | -79.4 | 0 | 0 | 0 | 114.7 | G49 K76 I77 K79 | Y13-G49 PolarHBondContact N-O 2.74Å; Y13-K76 WeakPolarHBondContact O-CB 3.45Å; Y13-K76 VanDerWaalsContact O-CD 3.28Å; Y13-K76 WeakPolarHBondContact O-CD 3.41Å; Y13-I77 WeakPolarHBondContact CB-O 3.44Å; Y13-K79 HydrophobicContact CD2-CB 3.79Å; Y13-K79 HydrophobicContact CE2-CB 3.92Å; Y13-K79 HydrophobicContact CE2-CD 4.28Å |
| 14 | I | 92.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | trans | -64.6 | 132.8 | 173.5 | -51.9 | 166.3 | 0 | 0 | 0 | 109 | I11 N12 I18 L23 I38 G49 L78 | I11-I14 HydrophobicContact CB-CD1 4.34Å; I11-I14 HydrophobicContact CG2-CD1 4.02Å; I11-I14 HydrophobicContact CG2-CG1 3.87Å; N12-I14 VanDerWaalsContact C-N 3.33Å; I14-I18 HydrophobicContact CG2-CB 3.89Å; I14-I18 HydrophobicContact CG2-CG2 3.86Å; I14-L23 HydrophobicContact CD1-CD1 3.47Å; I14-L23 VanDerWaalsContact CD1-CD1 3.47Å; I14-L23 HydrophobicContact CG1-CD1 4.01Å; I14-L23 HydrophobicContact CG2-CD1 4.24Å; I14-I38 HydrophobicContact CD1-CG1 4.25Å; I14-I38 HydrophobicContact CG2-CD1 4.1Å; I14-G49 PolarHBondContact N-O 2.93Å; I14-G49 VanDerWaalsContact O-CA 3.3Å; I14-G49 WeakPolarHBondContact O-CA 3.34Å; I14-L78 HydrophobicContact CB-CD2 4.43Å; I14-L78 HydrophobicContact CG1-CD2 3.99Å | ||
| 15 | P | 91 | Very high | 91.5 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | trans | -59.4 | 147 | 170.7 | -23.7 | 33.7 | 0 | 0 | 0 | 112.1 | S17 I18 I73 A74 K76 | P15-S17 PolarHBondContact O-N 3.06Å; P15-I18 HydrophobicContact CB-CG1 4.03Å; P15-I18 HydrophobicContact CG-CG1 4.11Å; P15-I18 PolarHBondContact O-N 3.03Å; P15-I73 HydrophobicContact CG-CB 4.19Å; P15-I73 HydrophobicContact CG-CG2 4.05Å; P15-I73 WeakPolarHBondContact CG-O 3.46Å; P15-A74 HydrophobicContact CG-CB 4.47Å; P15-K76 HydrophobicContact CG-CB 4.31Å; P15-K76 HydrophobicContact CG-CD 4.3Å; P15-K76 HydrophobicContact CG-CG 4.28Å | ||
| 16 | T | 89.1 | Confident | 92.1 | Very high | 96 Ų | 96 | 52 Ų | 52 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20.5 | -178.2 | 37.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 17 | S | 88.8 | Confident | 92.4 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -21.9 | 175.6 | 46.6 | 0 | 0 | 0 | 0 | 114.6 | P15 | P15-S17 PolarHBondContact O-N 3.06Š|
| 18 | I | 90.5 | Very high | 92.5 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 16% | 0.159 | 26% | 0.264 | C | S | . | . | trans | -76 | 132 | -174.4 | -69.7 | -67.9 | 0 | 0 | 0 | 110.6 | I14 P15 D22 L23 I38 I73 | I14-I18 HydrophobicContact CG2-CB 3.89Å; I14-I18 HydrophobicContact CG2-CG2 3.86Å; P15-I18 HydrophobicContact CB-CG1 4.03Å; P15-I18 HydrophobicContact CG-CG1 4.11Å; P15-I18 PolarHBondContact O-N 3.03Å; I18-D22 HydrophobicContact CG2-CB 4.14Å; I18-L23 HydrophobicContact CG2-CB 4.35Å; I18-I38 HydrophobicContact CG2-CD1 4.02Å; I18-I38 WeakPolarHBondContact O-CD1 3.37Å; I18-I73 HydrophobicContact CD1-CG2 3.74Å; I18-I73 HydrophobicContact CG1-CG2 3.96Å | ||
| 19 | T | 92.2 | Very high | 92.4 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | trans | -87.3 | 164.7 | 176.2 | 75.9 | 0 | 0 | 0 | 0 | 112.2 | A21 D22 L23 I38 | T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 3.12Å; T19-A21 PolarHBondContact OG1-N 2.84Å; T19-D22 WeakPolarHBondContact CA-OD2 3.26Å; T19-D22 VanDerWaalsContact CB-OD2 3.24Å; T19-D22 WeakPolarHBondContact CB-OD2 3.5Å; T19-D22 WeakPolarHBondContact CG2-OD2 3.33Å; T19-D22 PolarHBondContact N-OD2 3.41Å; T19-D22 PolarHBondContact O-N 3.43Å; T19-D22 PolarHBondContact OG1-N 2.95Å; T19-D22 VanDerWaalsContact OG1-N 3.15Å; T19-D22 PolarHBondContact OG1-OD2 2.92Å; T19-L23 PolarHBondContact O-N 3.11Å; T19-L23 VanDerWaalsContact O-N 3.15Å; T19-I38 WeakPolarHBondContact O-CD1 3.05Å | ||
| 20 | D | 92.8 | Very high | 92.4 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.3 | -28.5 | 173.2 | 38.4 | -65.1 | 0 | 0 | 0 | 111.9 | T24 R40 | D20-T24 WeakPolarHBondContact O-CB 3.1Å; D20-T24 PolarHBondContact O-N 2.95Å; D20-T24 VanDerWaalsContact O-N 3.08Å; D20-T24 PolarHBondContact O-OG1 2.82Å; D20-R40 IonicContact OD1-CZ 3.21Å; D20-R40 IonicContact OD1-NH1 2.81Å; D20-R40 PolarHBondContact OD1-NH1 2.86Å; D20-R40 IonicContact OD1-NH2 2.73Å; D20-R40 PolarHBondContact OD1-NH2 2.92Å |
| 21 | A | 92.8 | Very high | 92.4 | Very high | 51 Ų | 51 | 49 Ų | 49 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.5 | -49 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T19 L23 T24 N25 | T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 3.12Å; T19-A21 PolarHBondContact OG1-N 2.84Å; A21-L23 VanDerWaalsContact C-N 3.3Å; A21-L23 PolarHBondContact O-N 3.1Å; A21-T24 WeakPolarHBondContact O-CB 3.02Å; A21-T24 PolarHBondContact O-N 2.65Å; A21-T24 VanDerWaalsContact O-N 3.12Å; A21-N25 PolarHBondContact O-N 3.4Å; A21-N25 PolarHBondContact O-ND2 2.94Å |
| 22 | D | 92.7 | Very high | 92.4 | Very high | 75 Ų | 75 | 51.3 Ų | 51.3 | 40% | 0.401 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 179.3 | -54.2 | -47.5 | 0 | 0 | 0 | 111.7 | I18 T19 N25 L26 | I18-D22 HydrophobicContact CG2-CB 4.14Å; T19-D22 WeakPolarHBondContact CA-OD2 3.26Å; T19-D22 VanDerWaalsContact CB-OD2 3.24Å; T19-D22 WeakPolarHBondContact CB-OD2 3.5Å; T19-D22 WeakPolarHBondContact CG2-OD2 3.33Å; T19-D22 PolarHBondContact N-OD2 3.41Å; T19-D22 PolarHBondContact O-N 3.43Å; T19-D22 PolarHBondContact OG1-N 2.95Å; T19-D22 VanDerWaalsContact OG1-N 3.15Å; T19-D22 PolarHBondContact OG1-OD2 2.92Å; D22-N25 PolarHBondContact O-N 3.46Å; D22-L26 PolarHBondContact O-N 3.01Å |
| 23 | L | 92.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 178.6 | -163.3 | 152.3 | 0 | 0 | 0 | 111.5 | I11 I14 I18 T19 A21 L26 F27 C36 I38 | I11-L23 HydrophobicContact CD1-CD1 4.5Å; I11-L23 HydrophobicContact CD1-CD2 3.71Å; I11-L23 HydrophobicContact CG2-CD1 4.37Å; I14-L23 HydrophobicContact CD1-CD1 3.47Å; I14-L23 VanDerWaalsContact CD1-CD1 3.47Å; I14-L23 HydrophobicContact CG1-CD1 4.01Å; I14-L23 HydrophobicContact CG2-CD1 4.24Å; I18-L23 HydrophobicContact CG2-CB 4.35Å; T19-L23 PolarHBondContact O-N 3.11Å; T19-L23 VanDerWaalsContact O-N 3.15Å; A21-L23 VanDerWaalsContact C-N 3.3Å; A21-L23 PolarHBondContact O-N 3.1Å; L23-L26 PolarHBondContact O-N 3.12Å; L23-F27 HydrophobicContact CD2-CD2 3.7Å; L23-F27 HydrophobicContact CD2-CE2 4.04Å; L23-F27 HydrophobicContact CD2-CG 4.36Å; L23-F27 HydrophobicContact CG-CD2 4.06Å; L23-F27 HydrophobicContact CG-CE2 4.18Å; L23-F27 WeakPolarHBondContact O-CD2 3.26Å; L23-F27 PolarHBondContact O-N 3.29Å; L23-F27 VanDerWaalsContact O-N 3.07Å; L23-C36 WeakPolarHBondContact CD2-SG 3.38Å; L23-I38 HydrophobicContact CB-CD1 4.49Å; L23-I38 HydrophobicContact CD1-CD1 4.32Å; L23-I38 HydrophobicContact CD1-CG1 4.11Å |
| 24 | T | 94.4 | Very high | 92.5 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 26% | 0.258 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 173.5 | -56 | 0 | 0 | 0 | 0 | 111.1 | D20 A21 L26 F27 S28 I33 C36 | D20-T24 WeakPolarHBondContact O-CB 3.1Å; D20-T24 PolarHBondContact O-N 2.95Å; D20-T24 VanDerWaalsContact O-N 3.08Å; D20-T24 PolarHBondContact O-OG1 2.82Å; A21-T24 WeakPolarHBondContact O-CB 3.02Å; A21-T24 PolarHBondContact O-N 2.65Å; A21-T24 VanDerWaalsContact O-N 3.12Å; T24-L26 VanDerWaalsContact C-N 3.31Å; T24-L26 PolarHBondContact O-N 3.21Å; T24-F27 PolarHBondContact O-N 2.92Å; T24-S28 VanDerWaalsContact O-CB 3.31Å; T24-S28 WeakPolarHBondContact O-CB 3.33Å; T24-S28 PolarHBondContact O-N 3.23Å; T24-S28 PolarHBondContact O-OG 3.16Å; T24-I33 HydrophobicContact CG2-CD1 3.98Å; T24-I33 WeakPolarHBondContact O-CD1 3.29Å; T24-C36 HydrophobicContact CG2-CB 4.32Å; T24-C36 VanDerWaalsContact OG1-CB 3.29Å; T24-C36 WeakPolarHBondContact OG1-CB 3.49Å; T24-C36 PolarHBondContact OG1-SG 3.15Å |
| 25 | N | 93.6 | Very high | 92.5 | Very high | 110 Ų | 110 | 52.6 Ų | 52.6 | 59% | 0.588 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.6 | -33.9 | 179.4 | -66.7 | -20.1 | 0 | 0 | 0 | 112.9 | A21 D22 S28 | A21-N25 PolarHBondContact O-N 3.4Å; A21-N25 PolarHBondContact O-ND2 2.94Å; D22-N25 PolarHBondContact O-N 3.46Å; N25-S28 PolarHBondContact O-OG 3.4Å; N25-S28 VanDerWaalsContact O-OG 3.14Å |
| 26 | L | 92.5 | Very high | 92.7 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67 | -52.9 | 174 | -176.6 | 63 | 0 | 0 | 0 | 111 | D22 L23 T24 S28 S29 F68 Y71 I73 L78 | D22-L26 PolarHBondContact O-N 3.01Å; L23-L26 PolarHBondContact O-N 3.12Å; T24-L26 VanDerWaalsContact C-N 3.31Å; T24-L26 PolarHBondContact O-N 3.21Å; L26-S28 PolarHBondContact O-N 3.35Å; L26-S29 PolarHBondContact O-OG 3.23Å; L26-F68 HydrophobicContact CD1-CD1 4.31Å; L26-F68 HydrophobicContact CD1-CE1 3.58Å; L26-F68 HydrophobicContact CD1-CZ 4.09Å; L26-F68 HydrophobicContact CD2-CD1 4.41Å; L26-F68 HydrophobicContact CD2-CE1 4.42Å; L26-F68 HydrophobicContact CG-CD1 4.2Å; L26-F68 HydrophobicContact CG-CE1 3.76Å; L26-F68 HydrophobicContact CG-CZ 4.06Å; L26-F68 WeakPolarHBondContact O-CZ 3.3Å; L26-Y71 HydrophobicContact CD1-CE1 3.9Å; L26-Y71 HydrophobicContact CD2-CD1 4.01Å; L26-Y71 HydrophobicContact CD2-CE1 3.92Å; L26-I73 HydrophobicContact CD2-CD1 3.69Å; L26-L78 HydrophobicContact CD2-CD1 4.31Å |
| 27 | F | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.8 | -24.6 | -173.5 | -82.2 | -102.6 | 0 | 0 | 0 | 113.2 | L9 I11 L23 T24 S29 V30 I33 Y55 A64 F68 L78 V80 | L9-F27 HydrophobicContact CD1-CD1 4.48Å; L9-F27 HydrophobicContact CD1-CE1 4.26Å; I11-F27 HydrophobicContact CD1-CD1 4.04Å; I11-F27 HydrophobicContact CD1-CD2 4.17Å; I11-F27 HydrophobicContact CD1-CE1 3.55Å; I11-F27 HydrophobicContact CD1-CE2 3.7Å; I11-F27 HydrophobicContact CD1-CG 4.35Å; I11-F27 HydrophobicContact CD1-CZ 3.37Å; I11-F27 HydrophobicContact CG1-CE1 4.07Å; I11-F27 HydrophobicContact CG1-CZ 3.83Å; I11-F27 HydrophobicContact CG2-CZ 4.26Å; L23-F27 HydrophobicContact CD2-CD2 3.7Å; L23-F27 HydrophobicContact CD2-CE2 4.04Å; L23-F27 HydrophobicContact CD2-CG 4.36Å; L23-F27 HydrophobicContact CG-CD2 4.06Å; L23-F27 HydrophobicContact CG-CE2 4.18Å; L23-F27 WeakPolarHBondContact O-CD2 3.26Å; L23-F27 PolarHBondContact O-N 3.29Å; L23-F27 VanDerWaalsContact O-N 3.07Å; T24-F27 PolarHBondContact O-N 2.92Å; F27-S29 PolarHBondContact O-N 3.01Å; F27-V30 PolarHBondContact O-N 2.8Å; F27-I33 HydrophobicContact CB-CD1 3.68Å; F27-Y55 WeakPolarHBondContact CB-OH 3.42Å; F27-Y55 HydrophobicContact CD1-CE2 4.43Å; F27-Y55 WeakPolarHBondContact CD1-OH 3.5Å; F27-Y55 PolarHBondContact O-OH 3.26Å; F27-A64 HydrophobicContact CD1-CB 4.35Å; F27-F68 AromaticContact CD1-CD2 3.9Å; F27-F68 HydrophobicContact CD1-CD2 3.9Å; F27-F68 HydrophobicContact CD1-CE2 4.37Å; F27-F68 HydrophobicContact CE1-CB 4.07Å; F27-F68 AromaticContact CE1-CD2 3.79Å; F27-F68 HydrophobicContact CE1-CD2 3.79Å; F27-F68 HydrophobicContact CE1-CG 4.23Å; F27-F68 HydrophobicContact CE2-CD2 4.44Å; F27-F68 HydrophobicContact CE2-CG 4.45Å; F27-F68 HydrophobicContact CG-CD2 4.28Å; F27-F68 HydrophobicContact CG-CE2 4.42Å; F27-F68 HydrophobicContact CZ-CB 3.8Å; F27-F68 HydrophobicContact CZ-CD2 4.07Å; F27-F68 HydrophobicContact CZ-CG 4.09Å; F27-L78 HydrophobicContact CE2-CD1 4.27Å; F27-V80 HydrophobicContact CE1-CG1 4.01Å; F27-V80 HydrophobicContact CE1-CG2 4.3Å; F27-V80 HydrophobicContact CZ-CG1 4.37Å; F27-V80 HydrophobicContact CZ-CG2 3.85Å |
| 28 | S | 93.8 | Very high | 93.1 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -65.9 | -21 | 178.5 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | T24 N25 L26 V30 G31 | T24-S28 VanDerWaalsContact O-CB 3.31Å; T24-S28 WeakPolarHBondContact O-CB 3.33Å; T24-S28 PolarHBondContact O-N 3.23Å; T24-S28 PolarHBondContact O-OG 3.16Å; N25-S28 PolarHBondContact O-OG 3.4Å; N25-S28 VanDerWaalsContact O-OG 3.14Å; L26-S28 PolarHBondContact O-N 3.35Å; S28-V30 PolarHBondContact O-N 3.29Å; S28-G31 PolarHBondContact O-N 2.86Å |
| 29 | S | 93.1 | Very high | 93.1 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 47% | 0.469 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -64.9 | 0.5 | 175.3 | 70.1 | 0 | 0 | 0 | 0 | 115.5 | L26 F27 R67 F68 | L26-S29 PolarHBondContact O-OG 3.23Å; F27-S29 PolarHBondContact O-N 3.01Å; S29-R67 PolarHBondContact O-NH1 3.4Å; S29-F68 WeakPolarHBondContact OG-CZ 3.44Å |
| 30 | V | 93.6 | Very high | 93 | Very high | 26 Ų | 26 | 54 Ų | 54 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -121.5 | -12.4 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | F27 S28 S60 K63 A64 F68 | F27-V30 PolarHBondContact O-N 2.8Å; S28-V30 PolarHBondContact O-N 3.29Å; V30-S60 WeakPolarHBondContact CG1-O 3.47Å; V30-S60 PolarHBondContact O-OG 3.49Å; V30-S60 VanDerWaalsContact O-OG 3.07Å; V30-K63 HydrophobicContact CG1-CB 3.54Å; V30-A64 HydrophobicContact CB-CB 4.3Å; V30-A64 HydrophobicContact CG1-CB 4Å; V30-F68 HydrophobicContact CG2-CD2 4.46Å; V30-F68 HydrophobicContact CG2-CE2 3.6Å; V30-F68 HydrophobicContact CG2-CZ 4.17Å |
| 31 | G | 92.2 | Very high | 92.6 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 160.1 | 176.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S28 I33 | S28-G31 PolarHBondContact O-N 2.86Å; G31-I33 PolarHBondContact O-N 2.87Å |
| 32 | A | 94.3 | Very high | 92.2 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | trans | -66.7 | 121.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y55 E56 | A32-Y55 WeakPolarHBondContact O-CA 3.46Å; A32-Y55 WeakPolarHBondContact O-CD1 3.5Å; A32-E56 HydrophobicContact CB-CB 4.35Å; A32-E56 HydrophobicContact CB-CG 4.16Å; A32-E56 VanDerWaalsContact CB-OE2 3.24Å; A32-E56 WeakPolarHBondContact CB-OE2 3.31Å; A32-E56 PolarHBondContact O-N 3.34Å | ||
| 33 | I | 94.2 | Very high | 91.8 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121.8 | 175.6 | -66.3 | 177 | 0 | 0 | 0 | 108.9 | T24 F27 G31 C36 Y55 | T24-I33 HydrophobicContact CG2-CD1 3.98Å; T24-I33 WeakPolarHBondContact O-CD1 3.29Å; F27-I33 HydrophobicContact CB-CD1 3.68Å; G31-I33 PolarHBondContact O-N 2.87Å; I33-C36 HydrophobicContact CG2-CB 3.68Å; I33-Y55 HydrophobicContact CG1-CD1 4.27Å; I33-Y55 HydrophobicContact CG1-CE1 3.94Å |
| 34 | K | 93.2 | Very high | 91.4 | Very high | 120 Ų | 120 | 67.8 Ų | 67.8 | 52% | 0.522 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -45.2 | 174.4 | -175.4 | 177 | 165 | -160 | 0 | 112.1 | E54 E56 | K34-E54 WeakPolarHBondContact CA-O 3.44Å; K34-E54 HydrophobicContact CB-CG 4.36Å; K34-E54 WeakPolarHBondContact CB-O 3.33Å; K34-E54 HydrophobicContact CD-CG 4.22Å; K34-E54 WeakPolarHBondContact CE-OE1 3.48Å; K34-E54 PolarHBondContact N-O 2.96Å; K34-E54 IonicContact NZ-OE1 2.7Å; K34-E54 PolarHBondContact NZ-OE1 2.75Å; K34-E56 HydrophobicContact CB-CG 3.85Å |
| 35 | T | 92.1 | Very high | 90.8 | Very high | 63 Ų | 63 | 68 Ų | 68 | 39% | 0.387 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 136.8 | 167.5 | 72.3 | 0 | 0 | 0 | 0 | 111.4 | C53 E54 | T35-C53 CarbonylContact O-C 3.58Å; T35-C53 WeakPolarHBondContact O-CA 3.47Å; T35-E54 PolarHBondContact N-O 3.27Å; T35-E54 VanDerWaalsContact N-O 3.11Å; T35-E54 PolarHBondContact O-N 3.01Å; T35-E54 PolarHBondContact OG1-OE2 2.86Å |
| 36 | C | 94 | Very high | 90.4 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 17% | 0.169 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139.4 | 169.3 | 170.5 | 0 | 0 | 0 | 0 | 109.1 | L23 T24 I33 F52 | L23-C36 WeakPolarHBondContact CD2-SG 3.38Å; T24-C36 HydrophobicContact CG2-CB 4.32Å; T24-C36 VanDerWaalsContact OG1-CB 3.29Å; T24-C36 WeakPolarHBondContact OG1-CB 3.49Å; T24-C36 PolarHBondContact OG1-SG 3.15Å; I33-C36 HydrophobicContact CG2-CB 3.68Å; C36-F52 WeakPolarHBondContact CA-O 3.45Å |
| 37 | R | 93.3 | Very high | 90.1 | Very high | 150 Ų | 150 | 65.2 Ų | 65.2 | 57% | 0.566 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 141.1 | 175.6 | 55.7 | -175.7 | 176.1 | 176.9 | -2 | 113.1 | I39 G51 F52 | R37-I39 HydrophobicContact CG-CD1 4.31Å; R37-G51 CarbonylContact O-C 3.56Å; R37-G51 WeakPolarHBondContact O-CA 3.39Å; R37-F52 PolarHBondContact N-O 2.77Å; R37-F52 PolarHBondContact O-N 2.95Å |
| 38 | I | 93.5 | Very high | 89.7 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 136.1 | 164.8 | -60.4 | 176.3 | 0 | 0 | 0 | 108.4 | I14 I18 T19 L23 R40 | I14-I38 HydrophobicContact CD1-CG1 4.25Å; I14-I38 HydrophobicContact CG2-CD1 4.1Å; I18-I38 HydrophobicContact CG2-CD1 4.02Å; I18-I38 WeakPolarHBondContact O-CD1 3.37Å; T19-I38 WeakPolarHBondContact O-CD1 3.05Å; L23-I38 HydrophobicContact CB-CD1 4.49Å; L23-I38 HydrophobicContact CD1-CD1 4.32Å; L23-I38 HydrophobicContact CD1-CG1 4.11Å; I38-R40 HydrophobicContact CG2-CG 4.27Å; I38-R40 PolarHBondContact O-N 3.2Å |
| 39 | I | 90.8 | Very high | 89.4 | Confident | 32 Ų | 32 | 67 Ų | 67 | 16% | 0.164 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 115.8 | 174.5 | -52.4 | -54.3 | 0 | 0 | 0 | 108 | R37 F48 F50 F52 | R37-I39 HydrophobicContact CG-CD1 4.31Å; I39-F48 HydrophobicContact CG2-CD2 3.98Å; I39-F48 WeakPolarHBondContact O-CD2 3.28Å; I39-F48 PolarHBondContact O-N 2.89Å; I39-F50 HydrophobicContact CB-CD2 4.31Å; I39-F50 HydrophobicContact CB-CE2 3.87Å; I39-F50 HydrophobicContact CB-CZ 4Å; I39-F50 HydrophobicContact CG1-CD2 4.08Å; I39-F50 HydrophobicContact CG1-CE2 3.67Å; I39-F50 HydrophobicContact CG1-CZ 4.29Å; I39-F50 HydrophobicContact CG2-CE2 4.25Å; I39-F50 HydrophobicContact CG2-CZ 4.01Å; I39-F50 PolarHBondContact N-O 3.25Å; I39-F52 HydrophobicContact CD1-CD2 4.02Å; I39-F52 HydrophobicContact CD1-CE2 4.36Å; I39-F52 HydrophobicContact CG1-CD2 3.94Å; I39-F52 HydrophobicContact CG1-CE2 4Å |
| 40 | R | 90.5 | Very high | 89.4 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 153.6 | 176.3 | -49.7 | -158.5 | 175.2 | 106.3 | 9.7 | 110.6 | D20 I38 G45 S46 S47 | D20-R40 IonicContact OD1-CZ 3.21Å; D20-R40 IonicContact OD1-NH1 2.81Å; D20-R40 PolarHBondContact OD1-NH1 2.86Å; D20-R40 IonicContact OD1-NH2 2.73Å; D20-R40 PolarHBondContact OD1-NH2 2.92Å; I38-R40 HydrophobicContact CG2-CG 4.27Å; I38-R40 PolarHBondContact O-N 3.2Å; R40-G45 VanDerWaalsContact CD-O 3.29Å; R40-G45 WeakPolarHBondContact CD-O 3.44Å; R40-S46 CarbonylContact C-O 3.59Å; R40-S46 WeakPolarHBondContact CA-O 3.44Å; R40-S47 WeakPolarHBondContact CD-OG 3.37Å; R40-S47 PolarHBondContact NE-OG 2.91Å |
| 41 | D | 84.5 | Confident | 89.3 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | trans | -64.8 | 135.1 | 170.4 | 175 | 33.7 | 0 | 0 | 0 | 110.4 | N43 S44 G45 S46 F48 | D41-N43 VanDerWaalsContact C-N 3.26Å; D41-N43 PolarHBondContact O-N 3.38Å; D41-N43 PolarHBondContact OD1-N 3.04Å; D41-N43 PolarHBondContact OD2-N 2.88Å; D41-S44 WeakPolarHBondContact CB-OG 3.25Å; D41-S44 WeakPolarHBondContact OD2-CB 3.49Å; D41-S44 PolarHBondContact OD2-N 3.32Å; D41-S44 PolarHBondContact OD2-OG 3.48Å; D41-G45 WeakPolarHBondContact O-CA 3.46Å; D41-G45 PolarHBondContact O-N 2.93Å; D41-S46 PolarHBondContact N-O 2.91Å; D41-F48 VanDerWaalsContact CA-CE2 3.47Å; D41-F48 HydrophobicContact CB-CE1 4.47Å; D41-F48 HydrophobicContact CB-CE2 3.84Å; D41-F48 HydrophobicContact CB-CZ 3.65Å; D41-F48 VanDerWaalsContact N-CE2 3.28Å | ||
| 42 | R | 84.6 | Confident | 89.4 | Confident | 227 Ų | 227 | 66.1 Ų | 66.1 | 86% | 0.857 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22.6 | 179.6 | -174.8 | 174.6 | 177.9 | -134.9 | -6 | 112.5 | ||
| 43 | N | 83.2 | Confident | 89.5 | Confident | 150 Ų | 150 | 63.9 Ų | 63.9 | 80% | 0.802 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -43.2 | -173.5 | -80.2 | 80.7 | 0 | 0 | 0 | 113.4 | D41 | D41-N43 VanDerWaalsContact C-N 3.26Å; D41-N43 PolarHBondContact O-N 3.38Å; D41-N43 PolarHBondContact OD1-N 3.04Å; D41-N43 PolarHBondContact OD2-N 2.88Å |
| 44 | S | 85.1 | Confident | 89.4 | Confident | 76 Ų | 76 | 64.4 Ų | 64.4 | 53% | 0.531 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -14.4 | 178.4 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | D41 S46 | D41-S44 WeakPolarHBondContact CB-OG 3.25Å; D41-S44 WeakPolarHBondContact OD2-CB 3.49Å; D41-S44 PolarHBondContact OD2-N 3.32Å; D41-S44 PolarHBondContact OD2-OG 3.48Å; S44-S46 PolarHBondContact O-N 3.04Å; S44-S46 PolarHBondContact OG-N 3.09Å; S44-S46 PolarHBondContact OG-OG 3.29Å |
| 45 | G | 82.2 | Confident | 89.5 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 49% | 0.485 | 30% | 0.3 | S | S | . | . | trans | 72.4 | -2.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R40 D41 | R40-G45 VanDerWaalsContact CD-O 3.29Å; R40-G45 WeakPolarHBondContact CD-O 3.44Å; D41-G45 WeakPolarHBondContact O-CA 3.46Å; D41-G45 PolarHBondContact O-N 2.93Å | ||
| 46 | S | 84.6 | Confident | 89.6 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | trans | -69.3 | 131.4 | -176.9 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | R40 D41 S44 F48 | R40-S46 CarbonylContact C-O 3.59Å; R40-S46 WeakPolarHBondContact CA-O 3.44Å; D41-S46 PolarHBondContact N-O 2.91Å; S44-S46 PolarHBondContact O-N 3.04Å; S44-S46 PolarHBondContact OG-N 3.09Å; S44-S46 PolarHBondContact OG-OG 3.29Å; S46-F48 PolarHBondContact O-N 3.27Å | ||
| 47 | S | 86.4 | Confident | 89.6 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 130.4 | 173.3 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | R40 G49 | R40-S47 WeakPolarHBondContact CD-OG 3.37Å; R40-S47 PolarHBondContact NE-OG 2.91Å; S47-G49 PolarHBondContact O-N 2.99Å; S47-G49 VanDerWaalsContact O-N 3.16Å |
| 48 | F | 85 | Confident | 89.6 | Confident | 82 Ų | 82 | 58.3 Ų | 58.3 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 4.3 | 175.4 | -72.5 | -73 | 0 | 0 | 0 | 113.9 | I39 D41 S46 F50 Y177 | I39-F48 HydrophobicContact CG2-CD2 3.98Å; I39-F48 WeakPolarHBondContact O-CD2 3.28Å; I39-F48 PolarHBondContact O-N 2.89Å; D41-F48 VanDerWaalsContact CA-CE2 3.47Å; D41-F48 HydrophobicContact CB-CE1 4.47Å; D41-F48 HydrophobicContact CB-CE2 3.84Å; D41-F48 HydrophobicContact CB-CZ 3.65Å; D41-F48 VanDerWaalsContact N-CE2 3.28Å; S46-F48 PolarHBondContact O-N 3.27Å; F48-F50 HydrophobicContact CB-CD1 3.63Å; F48-F50 HydrophobicContact CB-CE1 3.46Å; F48-F50 VanDerWaalsContact CB-CE1 3.46Å; F48-F50 HydrophobicContact CB-CZ 4.48Å; F48-F50 HydrophobicContact CG-CE1 4.13Å; F48-F50 PolarHBondContact O-N 2.98Å; F48-Y177 HydrophobicContact CE1-CD2 4.03Å; F48-Y177 AromaticContact CE2-CD2 3.71Å; F48-Y177 HydrophobicContact CE2-CD2 3.71Å; F48-Y177 AromaticContact CE2-CE2 3.47Å; F48-Y177 HydrophobicContact CE2-CE2 3.47Å; F48-Y177 VanDerWaalsContact CE2-CE2 3.47Å; F48-Y177 AromaticContact CZ-CD2 3.29Å; F48-Y177 HydrophobicContact CZ-CD2 3.29Å; F48-Y177 AromaticContact CZ-CE2 3.39Å; F48-Y177 HydrophobicContact CZ-CE2 3.39Å; F48-Y177 HydrophobicContact CZ-CG 4.26Å |
| 49 | G | 88.1 | Confident | 89.7 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.6 | 15.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N12 Y13 I14 S47 | N12-G49 CarbonylContact C-O 3.48Å; Y13-G49 PolarHBondContact N-O 2.74Å; I14-G49 PolarHBondContact N-O 2.93Å; I14-G49 VanDerWaalsContact O-CA 3.3Å; I14-G49 WeakPolarHBondContact O-CA 3.34Å; S47-G49 PolarHBondContact O-N 2.99Å; S47-G49 VanDerWaalsContact O-N 3.16Å |
| 50 | F | 91.6 | Very high | 89.9 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 25% | 0.254 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.4 | 170.6 | 75.5 | -88.2 | 0 | 0 | 0 | 112.3 | I11 I39 F48 F52 | I11-F50 CarbonylContact O-C 3.53Å; I11-F50 WeakPolarHBondContact O-CA 3.34Å; I11-F50 WeakPolarHBondContact O-CB 3.39Å; I39-F50 HydrophobicContact CB-CD2 4.31Å; I39-F50 HydrophobicContact CB-CE2 3.87Å; I39-F50 HydrophobicContact CB-CZ 4Å; I39-F50 HydrophobicContact CG1-CD2 4.08Å; I39-F50 HydrophobicContact CG1-CE2 3.67Å; I39-F50 HydrophobicContact CG1-CZ 4.29Å; I39-F50 HydrophobicContact CG2-CE2 4.25Å; I39-F50 HydrophobicContact CG2-CZ 4.01Å; I39-F50 PolarHBondContact N-O 3.25Å; F48-F50 HydrophobicContact CB-CD1 3.63Å; F48-F50 HydrophobicContact CB-CE1 3.46Å; F48-F50 VanDerWaalsContact CB-CE1 3.46Å; F48-F50 HydrophobicContact CB-CZ 4.48Å; F48-F50 HydrophobicContact CG-CE1 4.13Å; F48-F50 PolarHBondContact O-N 2.98Å; F50-F52 HydrophobicContact CD2-CE2 4.21Å; F50-F52 AromaticContact CE2-CE2 3.94Å; F50-F52 HydrophobicContact CE2-CE2 3.94Å; F50-F52 HydrophobicContact CE2-CZ 4.44Å |
| 51 | G | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I11 R37 | I11-G51 PolarHBondContact N-O 3.44Å; I11-G51 PolarHBondContact O-N 2.8Å; R37-G51 CarbonylContact O-C 3.56Å; R37-G51 WeakPolarHBondContact O-CA 3.39Å |
| 52 | F | 94 | Very high | 90.6 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 17% | 0.167 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.3 | 175.1 | -65.7 | -85.6 | 0 | 0 | 0 | 110.5 | L9 I10 C36 R37 I39 F50 A83 | L9-F52 VanDerWaalsContact O-CA 3.25Å; L9-F52 WeakPolarHBondContact O-CA 3.31Å; I10-F52 HydrophobicContact CB-CD1 4.08Å; I10-F52 HydrophobicContact CB-CE1 3.84Å; I10-F52 HydrophobicContact CD1-CE1 3.93Å; I10-F52 HydrophobicContact CD1-CZ 4.01Å; I10-F52 HydrophobicContact CG1-CD1 4.26Å; I10-F52 HydrophobicContact CG1-CE1 3.81Å; I10-F52 HydrophobicContact CG1-CZ 4.2Å; C36-F52 WeakPolarHBondContact CA-O 3.45Å; R37-F52 PolarHBondContact N-O 2.77Å; R37-F52 PolarHBondContact O-N 2.95Å; I39-F52 HydrophobicContact CD1-CD2 4.02Å; I39-F52 HydrophobicContact CD1-CE2 4.36Å; I39-F52 HydrophobicContact CG1-CD2 3.94Å; I39-F52 HydrophobicContact CG1-CE2 4Å; F50-F52 HydrophobicContact CD2-CE2 4.21Å; F50-F52 AromaticContact CE2-CE2 3.94Å; F50-F52 HydrophobicContact CE2-CE2 3.94Å; F50-F52 HydrophobicContact CE2-CZ 4.44Å; F52-A83 HydrophobicContact CD1-CB 4.18Å; F52-A83 HydrophobicContact CE1-CB 4.19Å |
| 53 | C | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 109.5 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | L9 I11 T35 | L9-C53 PolarHBondContact N-O 2.87Å; L9-C53 PolarHBondContact O-N 2.86Å; I11-C53 HydrophobicContact CD1-CB 3.75Å; T35-C53 CarbonylContact O-C 3.58Å; T35-C53 WeakPolarHBondContact O-CA 3.47Å |
| 54 | E | 94 | Very high | 91.7 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 23% | 0.229 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 114.6 | 175 | -173 | -176.7 | 178 | 0 | 0 | 108.9 | N8 K34 T35 | N8-E54 HydrophobicContact CB-CB 4.39Å; N8-E54 HydrophobicContact CB-CG 4.39Å; K34-E54 WeakPolarHBondContact CA-O 3.44Å; K34-E54 HydrophobicContact CB-CG 4.36Å; K34-E54 WeakPolarHBondContact CB-O 3.33Å; K34-E54 HydrophobicContact CD-CG 4.22Å; K34-E54 WeakPolarHBondContact CE-OE1 3.48Å; K34-E54 PolarHBondContact N-O 2.96Å; K34-E54 IonicContact NZ-OE1 2.7Å; K34-E54 PolarHBondContact NZ-OE1 2.75Å; T35-E54 PolarHBondContact N-O 3.27Å; T35-E54 VanDerWaalsContact N-O 3.11Å; T35-E54 PolarHBondContact O-N 3.01Å; T35-E54 PolarHBondContact OG1-OE2 2.86Å |
| 55 | Y | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 163.8 | 168.8 | -75.4 | -85.5 | 0 | 0 | 0 | 111.1 | R7 L9 F27 A32 I33 D57 A61 A64 | R7-Y55 WeakPolarHBondContact CB-O 3.44Å; R7-Y55 PolarHBondContact O-N 2.76Å; L9-Y55 HydrophobicContact CD1-CD2 4.31Å; L9-Y55 HydrophobicContact CD1-CE2 3.78Å; L9-Y55 HydrophobicContact CG-CD2 4.5Å; L9-Y55 HydrophobicContact CG-CE2 4.42Å; F27-Y55 WeakPolarHBondContact CB-OH 3.42Å; F27-Y55 HydrophobicContact CD1-CE2 4.43Å; F27-Y55 WeakPolarHBondContact CD1-OH 3.5Å; F27-Y55 PolarHBondContact O-OH 3.26Å; A32-Y55 WeakPolarHBondContact O-CA 3.46Å; A32-Y55 WeakPolarHBondContact O-CD1 3.5Å; I33-Y55 HydrophobicContact CG1-CD1 4.27Å; I33-Y55 HydrophobicContact CG1-CE1 3.94Å; Y55-D57 WeakPolarHBondContact CB-O 3.5Å; Y55-A61 HydrophobicContact CD2-CB 3.84Å; Y55-A61 HydrophobicContact CG-CB 4.43Å; Y55-A64 HydrophobicContact CE2-CB 3.62Å; Y55-A64 VanDerWaalsContact OH-CB 3.23Å; Y55-A64 WeakPolarHBondContact OH-CB 3.44Å |
| 56 | E | 94.1 | Very high | 92.7 | Very high | 105 Ų | 105 | 48.9 Ų | 48.9 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -72.5 | -39.1 | 167.2 | -64.3 | -169.9 | 140.6 | 0 | 0 | 111 | R7 A32 K34 | R7-E56 WeakPolarHBondContact CD-O 3.38Å; R7-E56 PolarHBondContact NH1-O 3.37Å; A32-E56 HydrophobicContact CB-CB 4.35Å; A32-E56 HydrophobicContact CB-CG 4.16Å; A32-E56 VanDerWaalsContact CB-OE2 3.24Å; A32-E56 WeakPolarHBondContact CB-OE2 3.31Å; A32-E56 PolarHBondContact O-N 3.34Å; K34-E56 HydrophobicContact CB-CG 3.85Å |
| 57 | D | 93.6 | Very high | 93.1 | Very high | 91 Ų | 91 | 53 Ų | 53 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -109.1 | 148.1 | -178 | -64.8 | -45.1 | 0 | 0 | 0 | 114.4 | Y55 A61 | Y55-D57 WeakPolarHBondContact CB-O 3.5Å; D57-A61 PolarHBondContact O-N 3.29Å |
| 58 | S | 93.6 | Very high | 93.5 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | S60 A61 H62 | S58-S60 VanDerWaalsContact C-N 3.35Å; S58-S60 PolarHBondContact O-N 3.21Å; S58-A61 WeakPolarHBondContact O-CB 3.39Å; S58-A61 PolarHBondContact O-N 2.8Å; S58-A61 VanDerWaalsContact O-N 3.1Å; S58-H62 PolarHBondContact O-N 3.23Å; S58-H62 PolarHBondContact O-ND1 3.27Å; S58-H62 PolarHBondContact OG-CE1 3.04Å; S58-H62 PolarHBondContact OG-ND1 2.98Å |
| 59 | D | 95.1 | Very high | 93.9 | Very high | 105 Ų | 105 | 52.8 Ų | 52.8 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | -177.2 | -62.1 | -94 | 0 | 0 | 0 | 112.7 | H62 K63 | D59-H62 PolarHBondContact O-N 3.01Å; D59-K63 WeakPolarHBondContact O-CB 3.31Å; D59-K63 WeakPolarHBondContact O-CD 3.48Å; D59-K63 WeakPolarHBondContact O-CG 3.3Å; D59-K63 PolarHBondContact O-N 2.79Å |
| 60 | S | 95.1 | Very high | 94.1 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 172.6 | -73.7 | 0 | 0 | 0 | 0 | 112.1 | V30 S58 A64 | V30-S60 WeakPolarHBondContact CG1-O 3.47Å; V30-S60 PolarHBondContact O-OG 3.49Å; V30-S60 VanDerWaalsContact O-OG 3.07Å; S58-S60 VanDerWaalsContact C-N 3.35Å; S58-S60 PolarHBondContact O-N 3.21Å; S60-A64 WeakPolarHBondContact O-CB 3.42Å; S60-A64 PolarHBondContact O-N 2.84Å |
| 61 | A | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D6 L9 Y55 D57 S58 A64 I65 | D6-A61 WeakPolarHBondContact O-CB 3.12Å; L9-A61 HydrophobicContact CD2-CB 3.96Å; L9-A61 HydrophobicContact CG-CB 4.29Å; Y55-A61 HydrophobicContact CD2-CB 3.84Å; Y55-A61 HydrophobicContact CG-CB 4.43Å; D57-A61 PolarHBondContact O-N 3.29Å; S58-A61 WeakPolarHBondContact O-CB 3.39Å; S58-A61 PolarHBondContact O-N 2.8Å; S58-A61 VanDerWaalsContact O-N 3.1Å; A61-A64 PolarHBondContact O-N 2.98Å; A61-I65 WeakPolarHBondContact O-CG1 3.49Å; A61-I65 PolarHBondContact O-N 3.17Å |
| 62 | H | 94.4 | Very high | 94.2 | Very high | 83 Ų | 83 | 65.2 Ų | 65.2 | 38% | 0.384 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 176.4 | -71 | 80.4 | 0 | 0 | 0 | 112.2 | S58 D59 A64 I65 S66 | S58-H62 PolarHBondContact O-N 3.23Å; S58-H62 PolarHBondContact O-ND1 3.27Å; S58-H62 PolarHBondContact OG-CE1 3.04Å; S58-H62 PolarHBondContact OG-ND1 2.98Å; D59-H62 PolarHBondContact O-N 3.01Å; H62-A64 VanDerWaalsContact C-N 3.25Å; H62-A64 PolarHBondContact O-N 2.84Å; H62-I65 PolarHBondContact O-N 3.05Å; H62-S66 PolarHBondContact O-N 2.78Å; H62-S66 VanDerWaalsContact O-N 3.13Å; H62-S66 PolarHBondContact O-OG 2.95Å |
| 63 | K | 95.2 | Very high | 94 | Very high | 127 Ų | 127 | 65 Ų | 65 | 55% | 0.552 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.9 | -37.1 | 173.5 | -71.2 | 164.1 | -173.6 | 170.2 | 0 | 111.8 | V30 D59 S66 R67 | V30-K63 HydrophobicContact CG1-CB 3.54Å; D59-K63 WeakPolarHBondContact O-CB 3.31Å; D59-K63 WeakPolarHBondContact O-CD 3.48Å; D59-K63 WeakPolarHBondContact O-CG 3.3Å; D59-K63 PolarHBondContact O-N 2.79Å; K63-S66 PolarHBondContact O-N 2.86Å; K63-R67 WeakPolarHBondContact O-CB 3.15Å; K63-R67 PolarHBondContact O-N 3.38Å |
| 64 | A | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.2 | -32.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L9 F27 V30 Y55 S60 A61 H62 F68 | L9-A64 HydrophobicContact CD1-CB 3.89Å; F27-A64 HydrophobicContact CD1-CB 4.35Å; V30-A64 HydrophobicContact CB-CB 4.3Å; V30-A64 HydrophobicContact CG1-CB 4Å; Y55-A64 HydrophobicContact CE2-CB 3.62Å; Y55-A64 VanDerWaalsContact OH-CB 3.23Å; Y55-A64 WeakPolarHBondContact OH-CB 3.44Å; S60-A64 WeakPolarHBondContact O-CB 3.42Å; S60-A64 PolarHBondContact O-N 2.84Å; A61-A64 PolarHBondContact O-N 2.98Å; H62-A64 VanDerWaalsContact C-N 3.25Å; H62-A64 PolarHBondContact O-N 2.84Å; A64-F68 HydrophobicContact CB-CD2 4.26Å; A64-F68 WeakPolarHBondContact O-CB 3.27Å; A64-F68 PolarHBondContact O-N 2.8Å |
| 65 | I | 95 | Very high | 93.4 | Very high | 35 Ų | 35 | 71.5 Ų | 71.5 | 18% | 0.179 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.5 | -54.1 | 168 | -67.9 | 164 | 0 | 0 | 0 | 109.6 | L9 A61 H62 R67 F68 N69 V80 L82 | L9-I65 HydrophobicContact CD1-CG1 4.29Å; L9-I65 HydrophobicContact CD2-CD1 3.67Å; L9-I65 HydrophobicContact CD2-CG1 3.69Å; A61-I65 WeakPolarHBondContact O-CG1 3.49Å; A61-I65 PolarHBondContact O-N 3.17Å; H62-I65 PolarHBondContact O-N 3.05Å; I65-R67 PolarHBondContact O-N 2.95Å; I65-F68 PolarHBondContact O-N 2.82Å; I65-N69 HydrophobicContact CG2-CB 4.35Å; I65-N69 WeakPolarHBondContact O-CB 3.44Å; I65-N69 PolarHBondContact O-N 2.97Å; I65-V80 HydrophobicContact CG1-CG1 4.08Å; I65-L82 HydrophobicContact CD1-CD2 3.61Å; I65-L82 HydrophobicContact CD1-CG 3.71Å |
| 66 | S | 94.6 | Very high | 93.1 | Very high | 108 Ų | 108 | 74.4 Ų | 74.4 | 76% | 0.755 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.4 | -27.5 | -177.4 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | H62 K63 | H62-S66 PolarHBondContact O-N 2.78Å; H62-S66 VanDerWaalsContact O-N 3.13Å; H62-S66 PolarHBondContact O-OG 2.95Å; K63-S66 PolarHBondContact O-N 2.86Å |
| 67 | R | 93.4 | Very high | 93.1 | Very high | 158 Ų | 158 | 74.4 Ų | 74.4 | 60% | 0.596 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -91.3 | -32.2 | 180 | -163.6 | 177.4 | -168 | 178.5 | 4.6 | 114.4 | S29 K63 I65 | S29-R67 PolarHBondContact O-NH1 3.4Å; K63-R67 WeakPolarHBondContact O-CB 3.15Å; K63-R67 PolarHBondContact O-N 3.38Å; I65-R67 PolarHBondContact O-N 2.95Å |
| 68 | F | 94.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -113.9 | -12.1 | -172.7 | -63 | -58.5 | 0 | 0 | 0 | 115.7 | L26 F27 S29 V30 A64 I65 G70 Y71 V80 | L26-F68 HydrophobicContact CD1-CD1 4.31Å; L26-F68 HydrophobicContact CD1-CE1 3.58Å; L26-F68 HydrophobicContact CD1-CZ 4.09Å; L26-F68 HydrophobicContact CD2-CD1 4.41Å; L26-F68 HydrophobicContact CD2-CE1 4.42Å; L26-F68 HydrophobicContact CG-CD1 4.2Å; L26-F68 HydrophobicContact CG-CE1 3.76Å; L26-F68 HydrophobicContact CG-CZ 4.06Å; L26-F68 WeakPolarHBondContact O-CZ 3.3Å; F27-F68 AromaticContact CD1-CD2 3.9Å; F27-F68 HydrophobicContact CD1-CD2 3.9Å; F27-F68 HydrophobicContact CD1-CE2 4.37Å; F27-F68 HydrophobicContact CE1-CB 4.07Å; F27-F68 AromaticContact CE1-CD2 3.79Å; F27-F68 HydrophobicContact CE1-CD2 3.79Å; F27-F68 HydrophobicContact CE1-CG 4.23Å; F27-F68 HydrophobicContact CE2-CD2 4.44Å; F27-F68 HydrophobicContact CE2-CG 4.45Å; F27-F68 HydrophobicContact CG-CD2 4.28Å; F27-F68 HydrophobicContact CG-CE2 4.42Å; F27-F68 HydrophobicContact CZ-CB 3.8Å; F27-F68 HydrophobicContact CZ-CD2 4.07Å; F27-F68 HydrophobicContact CZ-CG 4.09Å; S29-F68 WeakPolarHBondContact OG-CZ 3.44Å; V30-F68 HydrophobicContact CG2-CD2 4.46Å; V30-F68 HydrophobicContact CG2-CE2 3.6Å; V30-F68 HydrophobicContact CG2-CZ 4.17Å; A64-F68 HydrophobicContact CB-CD2 4.26Å; A64-F68 WeakPolarHBondContact O-CB 3.27Å; A64-F68 PolarHBondContact O-N 2.8Å; I65-F68 PolarHBondContact O-N 2.82Å; F68-G70 PolarHBondContact O-N 3.2Å; F68-Y71 HydrophobicContact CD1-CD1 4.42Å; F68-Y71 HydrophobicContact CD1-CD2 4.3Å; F68-Y71 HydrophobicContact CD1-CG 4.07Å; F68-Y71 VanDerWaalsContact O-CB 3.25Å; F68-Y71 WeakPolarHBondContact O-CB 3.11Å; F68-Y71 PolarHBondContact O-N 2.81Å; F68-V80 HydrophobicContact CB-CG2 3.97Å; F68-V80 WeakPolarHBondContact O-CG2 3.38Å |
| 69 | N | 93.8 | Very high | 93.1 | Very high | 84 Ų | 84 | 74.2 Ų | 74.2 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 115.9 | 170.3 | -173.2 | 50.1 | 0 | 0 | 0 | 109.6 | I65 V80 | I65-N69 HydrophobicContact CG2-CB 4.35Å; I65-N69 WeakPolarHBondContact O-CB 3.44Å; I65-N69 PolarHBondContact O-N 2.97Å; N69-V80 HydrophobicContact CB-CB 4.06Å; N69-V80 PolarHBondContact OD1-N 3.11Å; N69-V80 PolarHBondContact OD1-O 2.77Å |
| 70 | G | 92.3 | Very high | 93.1 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -0.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F68 R72 L78 | F68-G70 PolarHBondContact O-N 3.2Å; G70-R72 PolarHBondContact O-N 2.9Å; G70-L78 PolarHBondContact N-O 3.36Å |
| 71 | Y | 93.4 | Very high | 92.9 | Very high | 107 Ų | 107 | 70.8 Ų | 70.8 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | trans | -71.2 | 126.9 | 179.9 | -171.8 | -101.4 | 0 | 0 | 0 | 111.7 | L26 F68 I73 L78 | L26-Y71 HydrophobicContact CD1-CE1 3.9Å; L26-Y71 HydrophobicContact CD2-CD1 4.01Å; L26-Y71 HydrophobicContact CD2-CE1 3.92Å; F68-Y71 HydrophobicContact CD1-CD1 4.42Å; F68-Y71 HydrophobicContact CD1-CD2 4.3Å; F68-Y71 HydrophobicContact CD1-CG 4.07Å; F68-Y71 VanDerWaalsContact O-CB 3.25Å; F68-Y71 WeakPolarHBondContact O-CB 3.11Å; F68-Y71 PolarHBondContact O-N 2.81Å; Y71-I73 HydrophobicContact CD1-CD1 4.05Å; Y71-I73 HydrophobicContact CD1-CG1 3.66Å; Y71-I73 HydrophobicContact CE1-CD1 4.12Å; Y71-I73 HydrophobicContact CE1-CG1 3.74Å; Y71-L78 WeakPolarHBondContact O-CB 3.29Å; Y71-L78 PolarHBondContact O-N 3.3Å | ||
| 72 | R | 92.7 | Very high | 92.8 | Very high | 180 Ų | 180 | 72.5 Ų | 72.5 | 68% | 0.679 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127.8 | -177.1 | -174 | -179.4 | 175.7 | 173 | 1.1 | 111.5 | G70 A74 K76 | G70-R72 PolarHBondContact O-N 2.9Å; R72-A74 PolarHBondContact NE-O 2.78Å; R72-K76 CarbonylContact C-O 3.5Å; R72-K76 WeakPolarHBondContact CA-O 3.3Å; R72-K76 WeakPolarHBondContact CG-O 3.13Å |
| 73 | I | 89.6 | Confident | 92.5 | Very high | 33 Ų | 33 | 68.6 Ų | 68.6 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 117.2 | 171.7 | -52.8 | -174.8 | 0 | 0 | 0 | 108.2 | P15 I18 L26 Y71 D75 K76 L78 | P15-I73 HydrophobicContact CG-CB 4.19Å; P15-I73 HydrophobicContact CG-CG2 4.05Å; P15-I73 WeakPolarHBondContact CG-O 3.46Å; I18-I73 HydrophobicContact CD1-CG2 3.74Å; I18-I73 HydrophobicContact CG1-CG2 3.96Å; L26-I73 HydrophobicContact CD2-CD1 3.69Å; Y71-I73 HydrophobicContact CD1-CD1 4.05Å; Y71-I73 HydrophobicContact CD1-CG1 3.66Å; Y71-I73 HydrophobicContact CE1-CD1 4.12Å; Y71-I73 HydrophobicContact CE1-CG1 3.74Å; I73-D75 PolarHBondContact O-N 3.44Å; I73-K76 PolarHBondContact N-O 2.78Å; I73-K76 PolarHBondContact O-N 3.03Å; I73-L78 HydrophobicContact CD1-CD1 3.65Å; I73-L78 HydrophobicContact CD1-CD2 4.38Å; I73-L78 HydrophobicContact CD1-CG 4.05Å; I73-L78 HydrophobicContact CG1-CD1 4.33Å; I73-L78 HydrophobicContact CG1-CG 4.3Å |
| 74 | A | 86.3 | Confident | 91.7 | Very high | 69 Ų | 69 | 67 Ų | 67 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | -117 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P15 R72 | P15-A74 HydrophobicContact CG-CB 4.47Å; R72-A74 PolarHBondContact NE-O 2.78Å |
| 75 | D | 88.9 | Confident | 90.5 | Very high | 117 Ų | 117 | 70.6 Ų | 70.6 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -8.8 | -179.1 | 63.5 | -55.1 | 0 | 0 | 0 | 114.1 | I73 | I73-D75 PolarHBondContact O-N 3.44Š|
| 76 | K | 91 | Very high | 88.8 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 27% | 0.265 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 157.9 | -166.9 | -49.2 | -171.3 | -170.8 | -179.9 | 0 | 113.7 | Y13 P15 R72 I73 | Y13-K76 WeakPolarHBondContact O-CB 3.45Å; Y13-K76 VanDerWaalsContact O-CD 3.28Å; Y13-K76 WeakPolarHBondContact O-CD 3.41Å; P15-K76 HydrophobicContact CG-CB 4.31Å; P15-K76 HydrophobicContact CG-CD 4.3Å; P15-K76 HydrophobicContact CG-CG 4.28Å; R72-K76 CarbonylContact C-O 3.5Å; R72-K76 WeakPolarHBondContact CA-O 3.3Å; R72-K76 WeakPolarHBondContact CG-O 3.13Å; I73-K76 PolarHBondContact N-O 2.78Å; I73-K76 PolarHBondContact O-N 3.03Å |
| 77 | I | 93.1 | Very high | 86.8 | Confident | 105 Ų | 105 | 73.5 Ų | 73.5 | 54% | 0.538 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.9 | 175.3 | -61.8 | 174.3 | 0 | 0 | 0 | 107.5 | Y13 | Y13-I77 WeakPolarHBondContact CB-O 3.44Å |
| 78 | L | 93.9 | Very high | 84.8 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | trans | -66.4 | 135.4 | 178.9 | -66 | -171.2 | 0 | 0 | 0 | 111 | I11 N12 I14 L26 F27 G70 Y71 I73 V80 | I11-L78 HydrophobicContact CG2-CD1 4.22Å; I11-L78 HydrophobicContact CG2-CD2 4.23Å; N12-L78 WeakPolarHBondContact O-CA 3.19Å; I14-L78 HydrophobicContact CB-CD2 4.43Å; I14-L78 HydrophobicContact CG1-CD2 3.99Å; L26-L78 HydrophobicContact CD2-CD1 4.31Å; F27-L78 HydrophobicContact CE2-CD1 4.27Å; G70-L78 PolarHBondContact N-O 3.36Å; Y71-L78 WeakPolarHBondContact O-CB 3.29Å; Y71-L78 PolarHBondContact O-N 3.3Å; I73-L78 HydrophobicContact CD1-CD1 3.65Å; I73-L78 HydrophobicContact CD1-CD2 4.38Å; I73-L78 HydrophobicContact CD1-CG 4.05Å; I73-L78 HydrophobicContact CG1-CD1 4.33Å; I73-L78 HydrophobicContact CG1-CG 4.3Å; L78-V80 HydrophobicContact CB-CG2 4.29Å | ||
| 79 | K | 93.3 | Very high | 82.5 | Confident | 117 Ų | 117 | 83.9 Ų | 83.9 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 113.3 | 167.3 | -178.5 | 168.2 | -177.3 | 167.2 | 0 | 109.6 | N12 Y13 | N12-K79 HydrophobicContact CB-CB 4.35Å; N12-K79 PolarHBondContact N-O 3.23Å; N12-K79 PolarHBondContact ND2-O 3.2Å; N12-K79 PolarHBondContact O-N 3.15Å; Y13-K79 HydrophobicContact CD2-CB 3.79Å; Y13-K79 HydrophobicContact CE2-CB 3.92Å; Y13-K79 HydrophobicContact CE2-CD 4.28Å |
| 80 | V | 94.4 | Very high | 80.5 | Confident | 2 Ų | 2 | 83.6 Ų | 83.6 | 1% | 0.012 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.1 | -173.3 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | L9 I11 F27 I65 F68 N69 L78 | L9-V80 HydrophobicContact CB-CG1 4.47Å; L9-V80 HydrophobicContact CD1-CG1 3.8Å; I11-V80 HydrophobicContact CG1-CG1 4.29Å; I11-V80 HydrophobicContact CG1-CG2 4.38Å; I11-V80 HydrophobicContact CG2-CG2 4.3Å; F27-V80 HydrophobicContact CE1-CG1 4.01Å; F27-V80 HydrophobicContact CE1-CG2 4.3Å; F27-V80 HydrophobicContact CZ-CG1 4.37Å; F27-V80 HydrophobicContact CZ-CG2 3.85Å; I65-V80 HydrophobicContact CG1-CG1 4.08Å; F68-V80 HydrophobicContact CB-CG2 3.97Å; F68-V80 WeakPolarHBondContact O-CG2 3.38Å; N69-V80 HydrophobicContact CB-CB 4.06Å; N69-V80 PolarHBondContact OD1-N 3.11Å; N69-V80 PolarHBondContact OD1-O 2.77Å; L78-V80 HydrophobicContact CB-CG2 4.29Å |
| 81 | S | 92.4 | Very high | 79 | Confident | 45 Ų | 45 | 85.2 Ų | 85.2 | 32% | 0.315 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 164.3 | 176.2 | 66.7 | 0 | 0 | 0 | 0 | 111 | L9 I10 A83 | L9-S81 CarbonylContact C-O 3.54Å; L9-S81 WeakPolarHBondContact CA-O 3.2Å; I10-S81 WeakPolarHBondContact CG2-OG 3.46Å; I10-S81 PolarHBondContact N-O 3.38Å; I10-S81 PolarHBondContact O-N 2.89Å; I10-S81 VanDerWaalsContact O-N 3.12Å; S81-A83 PolarHBondContact O-N 2.86Å |
| 82 | L | 91.8 | Very high | 77.9 | Confident | 36 Ų | 36 | 82.2 Ų | 82.2 | 19% | 0.188 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 137.9 | 169.8 | -59.7 | 176.8 | 0 | 0 | 0 | 110.3 | Y4 H5 L9 I65 | Y4-L82 HydrophobicContact CD1-CB 3.92Å; Y4-L82 WeakPolarHBondContact CD1-O 3.47Å; Y4-L82 HydrophobicContact CG-CB 4.25Å; H5-L82 WeakPolarHBondContact O-CD2 3.48Å; L9-L82 HydrophobicContact CD2-CD2 3.87Å; I65-L82 HydrophobicContact CD1-CD2 3.61Å; I65-L82 HydrophobicContact CD1-CG 3.71Å |
| 83 | A | 87.5 | Confident | 77.5 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 2% | 0.017 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | H5 N8 I10 F52 S81 L85 | H5-A83 PolarHBondContact CD2-O 2.99Å; H5-A83 PolarHBondContact N-O 2.98Å; N8-A83 HydrophobicContact CB-CB 4.34Å; N8-A83 WeakPolarHBondContact O-CB 3.3Å; N8-A83 PolarHBondContact O-N 3.23Å; I10-A83 HydrophobicContact CB-CB 4.32Å; F52-A83 HydrophobicContact CD1-CB 4.18Å; F52-A83 HydrophobicContact CE1-CB 4.19Å; S81-A83 PolarHBondContact O-N 2.86Å; A83-L85 PolarHBondContact O-N 3.38Å |
| 84 | K | 79.8 | Confident | 77.4 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 40% | 0.404 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 125.3 | 172 | -68.6 | -174.8 | 176.1 | -169.1 | 0 | 109.1 | V2 Y4 Q86 E142 | V2-K84 HydrophobicContact CG1-CB 4.48Å; V2-K84 HydrophobicContact CG1-CD 3.93Å; V2-K84 HydrophobicContact CG1-CG 3.91Å; Y4-K84 HydrophobicContact CD1-CG 3.85Å; Y4-K84 HydrophobicContact CE1-CD 4.25Å; Y4-K84 HydrophobicContact CE1-CG 3.39Å; Y4-K84 WeakPolarHBondContact OH-CE 3.37Å; K84-Q86 PolarHBondContact O-N 2.74Å; K84-E142 PolarHBondContact NZ-O 2.95Å |
| 85 | L | 69.1 | Low | 77.7 | Confident | 75 Ų | 75 | 72.2 Ų | 72.2 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -61 | 117.5 | 178.5 | 177.3 | 64.2 | 0 | 0 | 0 | 108.8 | V3 H5 A83 G87 | V3-L85 HydrophobicContact CB-CB 4.17Å; V3-L85 HydrophobicContact CB-CD2 4Å; V3-L85 HydrophobicContact CG1-CB 4.12Å; V3-L85 HydrophobicContact CG1-CD2 3.55Å; V3-L85 HydrophobicContact CG1-CG 4.49Å; V3-L85 VanDerWaalsContact O-CB 3.31Å; V3-L85 WeakPolarHBondContact O-CB 3.15Å; V3-L85 PolarHBondContact O-N 2.85Å; H5-L85 WeakPolarHBondContact CE1-CD1 3.33Å; H5-L85 WeakPolarHBondContact NE2-CD1 3.31Å; A83-L85 PolarHBondContact O-N 3.38Å; L85-G87 PolarHBondContact O-N 3.33Å |
| 86 | Q | 59.4 | Low | 77.8 | Confident | 168 Ų | 168 | 69.1 Ų | 69.1 | 79% | 0.785 | 35% | 0.349 | S | S | * | . | trans | -78.4 | 60.5 | -174.4 | -66.9 | -164.2 | -4.1 | 0 | 0 | 113 | K84 | K84-Q86 PolarHBondContact O-N 2.74Š| ||
| 87 | G | 53.4 | Low | 77.8 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 38% | 0.381 | 34% | 0.336 | S | S | . | . | trans | -62.8 | 137.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L85 L89 C90 | L85-G87 PolarHBondContact O-N 3.33Å; G87-L89 PolarHBondContact O-N 3.39Å; G87-C90 PolarHBondContact O-N 2.81Å | ||
| 88 | R | 50.3 | Low | 77.7 | Confident | 219 Ų | 219 | 64.3 Ų | 64.3 | 83% | 0.826 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -8.3 | 177.8 | -60.9 | -176.5 | -169.6 | -99.3 | 0.9 | 114.1 | ||
| 89 | L | 47 | Very low | 77.3 | Confident | 163 Ų | 163 | 67.2 Ų | 67.2 | 85% | 0.853 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -14.4 | -175.1 | -56.3 | 177.6 | 0 | 0 | 0 | 112.8 | G87 Q91 | G87-L89 PolarHBondContact O-N 3.39Å; L89-Q91 PolarHBondContact O-N 2.9Å; L89-Q91 VanDerWaalsContact O-N 3.1Å |
| 90 | C | 51.8 | Low | 77 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 53% | 0.527 | 32% | 0.316 | S | S | . | . | trans | -74.5 | 101.8 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 109.6 | G87 | G87-C90 PolarHBondContact O-N 2.81Š| ||
| 91 | Q | 60.1 | Low | 76.4 | Confident | 80 Ų | 80 | 62.7 Ų | 62.7 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | trans | -61.9 | 148.6 | 168.3 | -56.7 | -167.4 | 64.5 | 0 | 0 | 109 | L89 S93 P144 E148 F172 | L89-Q91 PolarHBondContact O-N 2.9Å; L89-Q91 VanDerWaalsContact O-N 3.1Å; Q91-S93 PolarHBondContact O-N 2.81Å; Q91-P144 WeakPolarHBondContact O-CB 3.31Å; Q91-E148 HydrophobicContact CB-CG 4.06Å; Q91-E148 VanDerWaalsContact CD-OE1 3.25Å; Q91-E148 HydrophobicContact CG-CG 4.31Å; Q91-E148 WeakPolarHBondContact CG-OE1 3.22Å; Q91-E148 PolarHBondContact NE2-OE1 2.9Å; Q91-E148 PolarHBondContact NE2-OE2 2.86Å; Q91-F172 HydrophobicContact CB-CE1 4.1Å; Q91-F172 HydrophobicContact CB-CE2 4.43Å; Q91-F172 HydrophobicContact CB-CZ 4.02Å | ||
| 92 | S | 70.4 | Confident | 75.8 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | trans | -75 | 125.7 | -173.9 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | N94 F172 | S92-N94 PolarHBondContact O-N 3.06Å; S92-N94 PolarHBondContact OG-O 3.47Å; S92-F172 WeakPolarHBondContact O-CD1 3.33Å; S92-F172 WeakPolarHBondContact O-CE1 3.3Å; S92-F172 WeakPolarHBondContact OG-CB 3.45Å | ||
| 93 | S | 83.5 | Confident | 75.4 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 11% | 0.112 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -66.8 | -6.5 | 174.9 | 69.9 | 0 | 0 | 0 | 0 | 113.9 | Q91 L140 F141 N143 | Q91-S93 PolarHBondContact O-N 2.81Å; S93-L140 WeakPolarHBondContact OG-CD1 3.47Å; S93-F141 WeakPolarHBondContact CB-O 3.49Å; S93-F141 PolarHBondContact O-N 3.28Å; S93-F141 PolarHBondContact OG-O 3.03Å; S93-N143 VanDerWaalsContact CB-O 3.31Å; S93-N143 WeakPolarHBondContact CB-O 3.36Å |
| 94 | N | 88.9 | Confident | 75.2 | Confident | 55 Ų | 55 | 68.9 Ų | 68.9 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119 | 168.9 | -167.8 | -16.3 | 0 | 0 | 0 | 110.7 | S92 L140 A173 | S92-N94 PolarHBondContact O-N 3.06Å; S92-N94 PolarHBondContact OG-O 3.47Å; N94-L140 HydrophobicContact CB-CD1 3.87Å; N94-A173 HydrophobicContact CB-CB 3.94Å; N94-A173 VanDerWaalsContact CG-CB 3.5Å; N94-A173 WeakPolarHBondContact O-CB 3.28Å; N94-A173 PolarHBondContact O-N 3.23Å; N94-A173 WeakPolarHBondContact OD1-CB 3.28Å |
| 95 | L | 91.1 | Very high | 75.6 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143.3 | 173.2 | -59.1 | -178.7 | 0 | 0 | 0 | 110.5 | F113 Y138 V139 F141 A147 A150 K151 I170 F172 | L95-F113 HydrophobicContact CD1-CD1 4.4Å; L95-F113 HydrophobicContact CD1-CE1 4.07Å; L95-Y138 CarbonylContact O-C 3.54Å; L95-Y138 VanDerWaalsContact O-CA 3.31Å; L95-Y138 WeakPolarHBondContact O-CA 3.48Å; L95-V139 PolarHBondContact N-O 2.8Å; L95-V139 PolarHBondContact O-N 2.78Å; L95-F141 HydrophobicContact CD1-CD2 4.22Å; L95-F141 HydrophobicContact CD1-CE2 3.79Å; L95-A147 HydrophobicContact CD1-CB 4.26Å; L95-A147 HydrophobicContact CD2-CB 4.08Å; L95-A147 HydrophobicContact CG-CB 4.05Å; L95-A150 HydrophobicContact CD1-CB 4.11Å; L95-K151 HydrophobicContact CD1-CB 4.37Å; L95-K151 HydrophobicContact CD2-CB 4.08Å; L95-K151 HydrophobicContact CD2-CG 4.39Å; L95-I170 HydrophobicContact CB-CG2 4.12Å; L95-I170 HydrophobicContact CD1-CG2 3.84Å; L95-I170 HydrophobicContact CD2-CG2 4.27Å; L95-I170 HydrophobicContact CG-CG2 4.31Å; L95-F172 HydrophobicContact CD2-CD1 3.58Å; L95-F172 HydrophobicContact CD2-CE1 3.53Å; L95-F172 HydrophobicContact CD2-CZ 4.43Å |
| 96 | Y | 92.3 | Very high | 76.5 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 110.1 | 167.2 | -179.5 | -131.9 | 0 | 0 | 0 | 108.3 | K98 L125 A137 Y138 K171 | Y96-K98 HydrophobicContact CD1-CD 4.37Å; Y96-K98 HydrophobicContact CD1-CG 4.23Å; Y96-K98 HydrophobicContact CE1-CD 3.59Å; Y96-K98 HydrophobicContact CE1-CG 3.82Å; Y96-K98 HydrophobicContact CE2-CG 4.48Å; Y96-K98 WeakPolarHBondContact OH-CE 3.43Å; Y96-K98 PolarHBondContact OH-NZ 3.31Å; Y96-L125 HydrophobicContact CE2-CD1 4.34Å; Y96-L125 HydrophobicContact CE2-CD2 4.11Å; Y96-A137 WeakPolarHBondContact CA-O 3.28Å; Y96-A137 VanDerWaalsContact CD2-O 3.32Å; Y96-A137 WeakPolarHBondContact CD2-O 3.38Å; Y96-Y138 AromaticContact CD2-CD1 3.83Å; Y96-Y138 HydrophobicContact CD2-CD1 3.83Å; Y96-Y138 AromaticContact CD2-CE1 3.44Å; Y96-Y138 HydrophobicContact CD2-CE1 3.44Å; Y96-Y138 VanDerWaalsContact CD2-CE1 3.44Å; Y96-Y138 AromaticContact CD2-CZ 3.82Å; Y96-Y138 HydrophobicContact CE2-CE1 4.26Å; Y96-Y138 HydrophobicContact CG-CD1 4.33Å; Y96-Y138 AromaticContact CG-CE1 3.84Å; Y96-Y138 HydrophobicContact CG-CE1 3.84Å; Y96-K171 PolarHBondContact N-O 3.4Å; Y96-K171 PolarHBondContact O-N 3.46Å |
| 97 | V | 91.4 | Very high | 78 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 139.5 | -178.7 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | F100 F113 S136 A137 V139 L168 I170 | V97-F100 HydrophobicContact CG1-CD1 3.98Å; V97-F100 HydrophobicContact CG1-CE1 4.33Å; V97-F113 HydrophobicContact CB-CZ 4.38Å; V97-F113 HydrophobicContact CG1-CE2 4.33Å; V97-F113 HydrophobicContact CG1-CZ 4.01Å; V97-F113 HydrophobicContact CG2-CE1 3.93Å; V97-F113 HydrophobicContact CG2-CE2 4.05Å; V97-F113 HydrophobicContact CG2-CZ 3.4Å; V97-F113 VanDerWaalsContact CG2-CZ 3.4Å; V97-S136 CarbonylContact O-C 3.45Å; V97-S136 VanDerWaalsContact O-CA 3.28Å; V97-S136 WeakPolarHBondContact O-CA 3.43Å; V97-A137 HydrophobicContact CB-CB 4.42Å; V97-A137 PolarHBondContact N-O 3.16Å; V97-A137 PolarHBondContact O-N 2.84Å; V97-V139 HydrophobicContact CG2-CG2 3.85Å; V97-L168 HydrophobicContact CG1-CD2 4.47Å; V97-I170 HydrophobicContact CG1-CG1 4.24Å; V97-I170 HydrophobicContact CG2-CG1 4.47Å |
| 98 | K | 90 | Very high | 79.7 | Confident | 65 Ų | 65 | 67.1 Ų | 67.1 | 28% | 0.283 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 165.9 | 174.7 | -53.9 | -155.2 | 69.4 | 138.8 | 0 | 111.3 | Y96 G135 S136 L168 S169 | Y96-K98 HydrophobicContact CD1-CD 4.37Å; Y96-K98 HydrophobicContact CD1-CG 4.23Å; Y96-K98 HydrophobicContact CE1-CD 3.59Å; Y96-K98 HydrophobicContact CE1-CG 3.82Å; Y96-K98 HydrophobicContact CE2-CG 4.48Å; Y96-K98 WeakPolarHBondContact OH-CE 3.43Å; Y96-K98 PolarHBondContact OH-NZ 3.31Å; K98-G135 CarbonylContact C-O 3.55Å; K98-G135 VanDerWaalsContact CA-O 3.24Å; K98-G135 WeakPolarHBondContact CA-O 3.14Å; K98-S136 VanDerWaalsContact CE-OG 3.24Å; K98-S136 WeakPolarHBondContact CE-OG 3.48Å; K98-L168 WeakPolarHBondContact O-CA 3.33Å; K98-S169 PolarHBondContact N-O 2.85Å; K98-S169 PolarHBondContact O-N 3.1Å |
| 99 | N | 86.3 | Confident | 81.6 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | trans | 65.5 | 47.1 | 170.8 | -64 | 32.9 | 0 | 0 | 0 | 112.7 | G135 Q166 M167 | N99-G135 PolarHBondContact N-O 3.48Å; N99-Q166 HydrophobicContact CB-CB 4.27Å; N99-M167 WeakPolarHBondContact CB-O 3.14Å | ||
| 100 | F | 86.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | trans | -112 | 153.4 | 166.4 | 61.2 | -98.2 | 0 | 0 | 0 | 109.9 | V97 L104 L109 I124 G135 S136 A137 L168 | V97-F100 HydrophobicContact CG1-CD1 3.98Å; V97-F100 HydrophobicContact CG1-CE1 4.33Å; F100-L104 HydrophobicContact CB-CD2 4.13Å; F100-L104 HydrophobicContact CD2-CB 3.88Å; F100-L104 HydrophobicContact CD2-CD2 3.77Å; F100-L104 HydrophobicContact CD2-CG 4.48Å; F100-L104 HydrophobicContact CE2-CB 4.37Å; F100-L104 HydrophobicContact CE2-CD2 4.47Å; F100-L104 HydrophobicContact CG-CD2 4.11Å; F100-L109 HydrophobicContact CD1-CD2 4.46Å; F100-L109 HydrophobicContact CE1-CD1 4.33Å; F100-L109 HydrophobicContact CE2-CD1 4.46Å; F100-L109 HydrophobicContact CZ-CD1 4.1Å; F100-I124 HydrophobicContact CE2-CD1 4.04Å; F100-I124 HydrophobicContact CE2-CG1 4.26Å; F100-I124 HydrophobicContact CZ-CD1 4.3Å; F100-I124 HydrophobicContact CZ-CG1 4.01Å; F100-I124 HydrophobicContact CZ-CG2 4.33Å; F100-G135 VanDerWaalsContact CE1-C 3.48Å; F100-G135 WeakPolarHBondContact O-CA 3.32Å; F100-S136 VanDerWaalsContact CE1-CA 3.5Å; F100-S136 VanDerWaalsContact CE1-N 3.29Å; F100-S136 VanDerWaalsContact CZ-C 3.43Å; F100-S136 VanDerWaalsContact CZ-N 3.26Å; F100-S136 WeakPolarHBondContact CZ-O 3.18Å; F100-A137 HydrophobicContact CE1-CB 3.64Å; F100-A137 HydrophobicContact CZ-CB 3.76Å; F100-L168 HydrophobicContact CB-CD2 3.78Å | ||
| 101 | P | 82.7 | Confident | 85.5 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 14% | 0.143 | 28% | 0.282 | C | S | . | . | trans | -61.6 | 143.9 | -175.6 | 23 | -33.4 | 0 | 0 | 0 | 112.5 | T103 L104 | P101-T103 PolarHBondContact O-N 3.46Å; P101-L104 VanDerWaalsContact O-CB 3.24Å; P101-L104 WeakPolarHBondContact O-CB 3.24Å; P101-L104 PolarHBondContact O-N 2.92Å; P101-L104 VanDerWaalsContact O-N 3.1Å | ||
| 102 | P | 79.8 | Confident | 86.9 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.5 | -172.7 | 28.6 | -36.2 | 0 | 0 | 0 | 114.1 | L104 V132 S133 | P102-L104 VanDerWaalsContact C-N 3.25Å; P102-L104 PolarHBondContact O-N 2.8Å; P102-V132 HydrophobicContact CB-CG1 4.38Å; P102-S133 VanDerWaalsContact O-CB 3.32Å; P102-S133 WeakPolarHBondContact O-CB 3.24Å; P102-S133 PolarHBondContact O-OG 3.49Å; P102-S133 VanDerWaalsContact O-OG 3.12Å |
| 103 | T | 82.3 | Confident | 87.9 | Confident | 123 Ų | 123 | 47 Ų | 47 | 76% | 0.755 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15.8 | 173.2 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | P101 | P101-T103 PolarHBondContact O-N 3.46Š|
| 104 | L | 83.2 | Confident | 88.2 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | trans | -71.2 | 141.7 | -173.8 | -157.8 | 78.5 | 0 | 0 | 0 | 112.5 | F100 P101 P102 D108 L109 I124 W159 | F100-L104 HydrophobicContact CB-CD2 4.13Å; F100-L104 HydrophobicContact CD2-CB 3.88Å; F100-L104 HydrophobicContact CD2-CD2 3.77Å; F100-L104 HydrophobicContact CD2-CG 4.48Å; F100-L104 HydrophobicContact CE2-CB 4.37Å; F100-L104 HydrophobicContact CE2-CD2 4.47Å; F100-L104 HydrophobicContact CG-CD2 4.11Å; P101-L104 VanDerWaalsContact O-CB 3.24Å; P101-L104 WeakPolarHBondContact O-CB 3.24Å; P101-L104 PolarHBondContact O-N 2.92Å; P101-L104 VanDerWaalsContact O-N 3.1Å; P102-L104 VanDerWaalsContact C-N 3.25Å; P102-L104 PolarHBondContact O-N 2.8Å; L104-D108 HydrophobicContact CD1-CB 3.68Å; L104-D108 HydrophobicContact CG-CB 3.91Å; L104-L109 HydrophobicContact CD2-CD2 3.55Å; L104-L109 HydrophobicContact CD2-CG 3.69Å; L104-I124 VanDerWaalsContact O-CD1 3.25Å; L104-I124 WeakPolarHBondContact O-CD1 3.28Å; L104-W159 HydrophobicContact CD1-CD2 4.44Å; L104-W159 HydrophobicContact CD1-CH2 4.45Å; L104-W159 HydrophobicContact CD1-CZ2 3.54Å; L104-W159 HydrophobicContact CD2-CD2 4.15Å; L104-W159 HydrophobicContact CD2-CE3 4.22Å; L104-W159 HydrophobicContact CD2-CH2 3.71Å; L104-W159 HydrophobicContact CD2-CZ2 3.62Å; L104-W159 HydrophobicContact CD2-CZ3 4.02Å; L104-W159 HydrophobicContact CG-CZ2 4.17Å | ||
| 105 | T | 88.2 | Confident | 88.3 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | trans | -97 | 167.4 | 178.4 | 77.9 | 0 | 0 | 0 | 0 | 112.7 | H107 D108 L109 | T105-H107 PolarHBondContact O-N 3.03Å; T105-H107 PolarHBondContact OG1-N 2.68Å; T105-D108 WeakPolarHBondContact CA-OD2 3.44Å; T105-D108 VanDerWaalsContact CB-OD2 3.28Å; T105-D108 WeakPolarHBondContact CB-OD2 3.35Å; T105-D108 PolarHBondContact N-OD2 3.36Å; T105-D108 PolarHBondContact O-N 3.46Å; T105-D108 PolarHBondContact OG1-N 3.43Å; T105-D108 PolarHBondContact OG1-OD2 3.07Å; T105-L109 PolarHBondContact O-N 2.66Å | ||
| 106 | E | 88.9 | Confident | 88.3 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.1 | -23 | 173.4 | -72.1 | 165.3 | 150.6 | 0 | 0 | 112.1 | T110 R123 I124 | E106-T110 WeakPolarHBondContact O-CB 3.18Å; E106-T110 PolarHBondContact O-N 3.27Å; E106-T110 PolarHBondContact O-OG1 3.23Å; E106-R123 VanDerWaalsContact OE1-CA 3.3Å; E106-R123 WeakPolarHBondContact OE1-CA 3.24Å; E106-I124 HydrophobicContact CG-CB 4.02Å; E106-I124 HydrophobicContact CG-CD1 3.84Å; E106-I124 HydrophobicContact CG-CG1 3.63Å; E106-I124 PolarHBondContact OE1-N 3.1Å |
| 107 | H | 89.6 | Confident | 88.2 | Confident | 144 Ų | 144 | 51.2 Ų | 51.2 | 67% | 0.667 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -71.3 | -46.8 | 175.8 | -175.4 | 75.5 | 0 | 0 | 0 | 111.5 | T105 L109 T110 A111 | T105-H107 PolarHBondContact O-N 3.03Å; T105-H107 PolarHBondContact OG1-N 2.68Å; H107-L109 VanDerWaalsContact C-N 3.33Å; H107-L109 PolarHBondContact O-N 2.64Å; H107-T110 CarbonylContact O-C 3.58Å; H107-T110 WeakPolarHBondContact O-CA 3.27Å; H107-T110 WeakPolarHBondContact O-CB 3.28Å; H107-T110 PolarHBondContact O-N 3.23Å; H107-A111 PolarHBondContact O-N 2.74Å |
| 108 | D | 89.7 | Confident | 88.1 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 32% | 0.316 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | -179.5 | -43.3 | -54 | 0 | 0 | 0 | 111.5 | L104 T105 A111 E112 W159 | L104-D108 HydrophobicContact CD1-CB 3.68Å; L104-D108 HydrophobicContact CG-CB 3.91Å; T105-D108 WeakPolarHBondContact CA-OD2 3.44Å; T105-D108 VanDerWaalsContact CB-OD2 3.28Å; T105-D108 WeakPolarHBondContact CB-OD2 3.35Å; T105-D108 PolarHBondContact N-OD2 3.36Å; T105-D108 PolarHBondContact O-N 3.46Å; T105-D108 PolarHBondContact OG1-N 3.43Å; T105-D108 PolarHBondContact OG1-OD2 3.07Å; D108-A111 PolarHBondContact O-N 3.27Å; D108-E112 PolarHBondContact O-N 2.91Å; D108-E112 VanDerWaalsContact O-N 3.13Å; D108-W159 HydrophobicContact CB-CZ2 4.28Å |
| 109 | L | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 169.1 | -71.3 | 176.4 | 0 | 0 | 0 | 111.4 | F100 L104 T105 H107 A111 F113 I124 A137 W159 | F100-L109 HydrophobicContact CD1-CD2 4.46Å; F100-L109 HydrophobicContact CE1-CD1 4.33Å; F100-L109 HydrophobicContact CE2-CD1 4.46Å; F100-L109 HydrophobicContact CZ-CD1 4.1Å; L104-L109 HydrophobicContact CD2-CD2 3.55Å; L104-L109 HydrophobicContact CD2-CG 3.69Å; T105-L109 PolarHBondContact O-N 2.66Å; H107-L109 VanDerWaalsContact C-N 3.33Å; H107-L109 PolarHBondContact O-N 2.64Å; L109-A111 VanDerWaalsContact C-N 3.26Å; L109-A111 PolarHBondContact O-N 2.94Å; L109-F113 HydrophobicContact CD2-CD2 4.41Å; L109-F113 HydrophobicContact CD2-CE2 4.04Å; L109-F113 VanDerWaalsContact O-CB 3.3Å; L109-F113 WeakPolarHBondContact O-CB 3.36Å; L109-F113 VanDerWaalsContact O-CD2 3.26Å; L109-F113 WeakPolarHBondContact O-CD2 3.48Å; L109-F113 PolarHBondContact O-N 2.93Å; L109-I124 HydrophobicContact CD1-CD1 3.92Å; L109-I124 HydrophobicContact CD1-CG1 3.66Å; L109-A137 HydrophobicContact CD1-CB 3.57Å; L109-W159 HydrophobicContact CD2-CH2 4.01Å; L109-W159 HydrophobicContact CD2-CZ3 3.8Å |
| 110 | T | 91.4 | Very high | 88.2 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.3 | -30.9 | -178.8 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | E106 H107 G114 V119 C122 | E106-T110 WeakPolarHBondContact O-CB 3.18Å; E106-T110 PolarHBondContact O-N 3.27Å; E106-T110 PolarHBondContact O-OG1 3.23Å; H107-T110 CarbonylContact O-C 3.58Å; H107-T110 WeakPolarHBondContact O-CA 3.27Å; H107-T110 WeakPolarHBondContact O-CB 3.28Å; H107-T110 PolarHBondContact O-N 3.23Å; T110-G114 VanDerWaalsContact O-CA 3.3Å; T110-G114 WeakPolarHBondContact O-CA 3.43Å; T110-G114 PolarHBondContact O-N 2.85Å; T110-V119 HydrophobicContact CG2-CB 4.31Å; T110-V119 HydrophobicContact CG2-CG1 4.46Å; T110-C122 VanDerWaalsContact OG1-CB 3.28Å; T110-C122 WeakPolarHBondContact OG1-CB 3.32Å |
| 111 | A | 90.8 | Very high | 88.3 | Confident | 61 Ų | 61 | 59 Ų | 59 | 50% | 0.504 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.4 | -59 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H107 D108 L109 F113 G114 Q115 | H107-A111 PolarHBondContact O-N 2.74Å; D108-A111 PolarHBondContact O-N 3.27Å; L109-A111 VanDerWaalsContact C-N 3.26Å; L109-A111 PolarHBondContact O-N 2.94Å; A111-F113 VanDerWaalsContact C-N 3.28Å; A111-F113 PolarHBondContact O-N 3.5Å; A111-G114 PolarHBondContact O-N 2.87Å; A111-G114 VanDerWaalsContact O-N 3.1Å; A111-Q115 PolarHBondContact O-N 2.76Å |
| 112 | E | 89 | Confident | 88.6 | Confident | 47 Ų | 47 | 59 Ų | 59 | 22% | 0.22 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -26.8 | -177.9 | -76.4 | -81.3 | 136.6 | 0 | 0 | 113.2 | D108 Q115 R157 W159 | D108-E112 PolarHBondContact O-N 2.91Å; D108-E112 VanDerWaalsContact O-N 3.13Å; E112-Q115 WeakPolarHBondContact O-CG 3.4Å; E112-R157 IonicContact OE2-CZ 3.4Å; E112-R157 IonicContact OE2-NH1 3.98Å; E112-R157 PolarHBondContact OE2-NH1 3.23Å; E112-W159 HydrophobicContact CB-CH2 3.72Å; E112-W159 HydrophobicContact CB-CZ3 4.19Å; E112-W159 HydrophobicContact CG-CH2 3.59Å; E112-W159 HydrophobicContact CG-CZ2 3.89Å; E112-W159 HydrophobicContact CG-CZ3 4.29Å |
| 113 | F | 90.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -85.1 | -30.2 | 171.6 | -77.6 | -94.9 | 0 | 0 | 0 | 112.5 | L95 V97 L109 A111 Q115 F116 V119 V139 F141 A150 L154 I170 | L95-F113 HydrophobicContact CD1-CD1 4.4Å; L95-F113 HydrophobicContact CD1-CE1 4.07Å; V97-F113 HydrophobicContact CB-CZ 4.38Å; V97-F113 HydrophobicContact CG1-CE2 4.33Å; V97-F113 HydrophobicContact CG1-CZ 4.01Å; V97-F113 HydrophobicContact CG2-CE1 3.93Å; V97-F113 HydrophobicContact CG2-CE2 4.05Å; V97-F113 HydrophobicContact CG2-CZ 3.4Å; V97-F113 VanDerWaalsContact CG2-CZ 3.4Å; L109-F113 HydrophobicContact CD2-CD2 4.41Å; L109-F113 HydrophobicContact CD2-CE2 4.04Å; L109-F113 VanDerWaalsContact O-CB 3.3Å; L109-F113 WeakPolarHBondContact O-CB 3.36Å; L109-F113 VanDerWaalsContact O-CD2 3.26Å; L109-F113 WeakPolarHBondContact O-CD2 3.48Å; L109-F113 PolarHBondContact O-N 2.93Å; A111-F113 VanDerWaalsContact C-N 3.28Å; A111-F113 PolarHBondContact O-N 3.5Å; F113-Q115 PolarHBondContact O-N 2.99Å; F113-F116 PolarHBondContact O-N 3.03Å; F113-F116 VanDerWaalsContact O-N 3.12Å; F113-V119 HydrophobicContact CB-CG2 4.06Å; F113-V139 HydrophobicContact CB-CG1 4.01Å; F113-V139 HydrophobicContact CD1-CB 4.47Å; F113-V139 HydrophobicContact CD1-CG1 4.03Å; F113-V139 HydrophobicContact CD2-CG2 4.4Å; F113-V139 HydrophobicContact CG-CG1 4.03Å; F113-V139 HydrophobicContact CG-CG2 4.38Å; F113-F141 HydrophobicContact CB-CE2 4.43Å; F113-F141 HydrophobicContact CB-CZ 3.87Å; F113-F141 AromaticContact CD1-CE2 3.87Å; F113-F141 HydrophobicContact CD1-CE2 3.87Å; F113-F141 AromaticContact CD1-CZ 3.9Å; F113-F141 HydrophobicContact CD1-CZ 3.9Å; F113-F141 HydrophobicContact CG-CZ 4.41Å; F113-F141 WeakPolarHBondContact O-CE1 3.18Å; F113-F141 WeakPolarHBondContact O-CZ 3.15Å; F113-A150 HydrophobicContact CD1-CB 4Å; F113-A150 HydrophobicContact CE1-CB 4.31Å; F113-L154 HydrophobicContact CD1-CD1 4.01Å; F113-L154 HydrophobicContact CD2-CD1 4.16Å; F113-L154 HydrophobicContact CE1-CD1 3.8Å; F113-L154 HydrophobicContact CE2-CD1 3.96Å; F113-L154 HydrophobicContact CG-CD1 4.2Å; F113-L154 HydrophobicContact CZ-CD1 3.76Å; F113-I170 HydrophobicContact CE1-CD1 3.9Å; F113-I170 HydrophobicContact CZ-CD1 3.65Å; F113-I170 HydrophobicContact CZ-CG1 4.44Å |
| 114 | G | 90.7 | Very high | 89.5 | Confident | 33 Ų | 33 | 57.5 Ų | 57.5 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -27 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T110 A111 F116 G117 | T110-G114 VanDerWaalsContact O-CA 3.3Å; T110-G114 WeakPolarHBondContact O-CA 3.43Å; T110-G114 PolarHBondContact O-N 2.85Å; A111-G114 PolarHBondContact O-N 2.87Å; A111-G114 VanDerWaalsContact O-N 3.1Å; G114-F116 PolarHBondContact O-N 3.21Å; G114-F116 VanDerWaalsContact O-N 3.1Å; G114-G117 PolarHBondContact O-N 2.81Å; G114-G117 VanDerWaalsContact O-N 3.12Å |
| 115 | Q | 91 | Very high | 89.8 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.9 | 174.7 | 79 | -173.4 | 30.2 | 0 | 0 | 114.2 | A111 E112 F113 | A111-Q115 PolarHBondContact O-N 2.76Å; E112-Q115 WeakPolarHBondContact O-CG 3.4Å; F113-Q115 PolarHBondContact O-N 2.99Å |
| 116 | F | 91.5 | Very high | 89.8 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 18% | 0.18 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -12.9 | 178.1 | -63.2 | -80.4 | 0 | 0 | 0 | 113.7 | F113 G114 F141 D146 A149 A150 L154 | F113-F116 PolarHBondContact O-N 3.03Å; F113-F116 VanDerWaalsContact O-N 3.12Å; G114-F116 PolarHBondContact O-N 3.21Å; G114-F116 VanDerWaalsContact O-N 3.1Å; F116-F141 HydrophobicContact CB-CE1 4.1Å; F116-F141 HydrophobicContact CB-CZ 4.28Å; F116-D146 WeakPolarHBondContact O-CB 3.26Å; F116-A149 HydrophobicContact CD1-CB 4.03Å; F116-A150 HydrophobicContact CB-CB 3.9Å; F116-A150 HydrophobicContact CD1-CB 4.36Å; F116-A150 HydrophobicContact CD2-CB 3.68Å; F116-A150 HydrophobicContact CE2-CB 4.32Å; F116-A150 HydrophobicContact CG-CB 3.71Å; F116-L154 HydrophobicContact CD2-CD1 4.31Å; F116-L154 HydrophobicContact CE2-CD1 3.65Å; F116-L154 HydrophobicContact CE2-CD2 4.14Å; F116-L154 HydrophobicContact CE2-CG 3.65Å; F116-L154 HydrophobicContact CZ-CD1 4.48Å; F116-L154 HydrophobicContact CZ-CD2 4.37Å; F116-L154 HydrophobicContact CZ-CG 4Å |
| 117 | G | 89.2 | Confident | 89.6 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 148.2 | 170.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G114 V119 F141 | G114-G117 PolarHBondContact O-N 2.81Å; G114-G117 VanDerWaalsContact O-N 3.12Å; G117-V119 PolarHBondContact O-N 2.88Å; G117-F141 WeakPolarHBondContact O-CE1 3.42Å |
| 118 | P | 90.3 | Very high | 89 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | trans | -63.5 | 119.9 | -175.8 | 23.8 | -33.3 | 0 | 0 | 0 | 112.9 | F141 E142 | P118-F141 WeakPolarHBondContact O-CA 3.48Å; P118-E142 HydrophobicContact CG-CB 3.97Å; P118-E142 WeakPolarHBondContact CG-OE2 3.35Å; P118-E142 PolarHBondContact O-N 3.29Å | ||
| 119 | V | 90.7 | Very high | 88.6 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 111 | 173 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | T110 F113 G117 C122 V139 L140 F141 | T110-V119 HydrophobicContact CG2-CB 4.31Å; T110-V119 HydrophobicContact CG2-CG1 4.46Å; F113-V119 HydrophobicContact CB-CG2 4.06Å; G117-V119 PolarHBondContact O-N 2.88Å; V119-C122 HydrophobicContact CG1-CB 4.36Å; V119-V139 HydrophobicContact CG1-CG1 3.89Å; V119-V139 HydrophobicContact CG2-CG1 4.08Å; V119-L140 CarbonylContact C-O 3.52Å; V119-F141 HydrophobicContact CG2-CD1 4.35Å; V119-F141 HydrophobicContact CG2-CE1 4Å; V119-F141 HydrophobicContact CG2-CZ 4.2Å |
| 120 | V | 87.6 | Confident | 88.2 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 53% | 0.533 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -31.7 | 178.2 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | L140 E142 | V120-L140 HydrophobicContact CB-CD2 4.14Å; V120-L140 HydrophobicContact CB-CG 4.2Å; V120-L140 HydrophobicContact CG1-CD2 4.02Å; V120-L140 PolarHBondContact N-O 3.02Å; V120-E142 HydrophobicContact CG2-CB 3.69Å; V120-E142 HydrophobicContact CG2-CG 4.27Å |
| 121 | Q | 87 | Confident | 87.6 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 125 | 177.1 | -173.6 | 179.4 | 1.3 | 0 | 0 | 111.5 | L140 | Q121-L140 HydrophobicContact CB-CB 4.09Å; Q121-L140 HydrophobicContact CB-CD2 4.31Å; Q121-L140 PolarHBondContact N-O 2.92Å; Q121-L140 PolarHBondContact O-N 3.45Å |
| 122 | C | 90.2 | Very high | 87.1 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 145.3 | 162.2 | -171.3 | 0 | 0 | 0 | 0 | 109.3 | T110 V119 Y138 | T110-C122 VanDerWaalsContact OG1-CB 3.28Å; T110-C122 WeakPolarHBondContact OG1-CB 3.32Å; V119-C122 HydrophobicContact CG1-CB 4.36Å; C122-Y138 CarbonylContact C-O 3.35Å |
| 123 | R | 89.6 | Confident | 86.7 | Confident | 158 Ų | 158 | 72 Ų | 72 | 60% | 0.596 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 121.6 | 171.1 | -174.3 | 178 | 179 | -178 | 2.1 | 112.2 | E106 A137 Y138 | E106-R123 VanDerWaalsContact OE1-CA 3.3Å; E106-R123 WeakPolarHBondContact OE1-CA 3.24Å; R123-A137 CarbonylContact O-C 3.48Å; R123-A137 VanDerWaalsContact O-CA 3.22Å; R123-A137 WeakPolarHBondContact O-CA 3.36Å; R123-A137 WeakPolarHBondContact O-CB 3.34Å; R123-Y138 PolarHBondContact N-O 3.45Å; R123-Y138 PolarHBondContact O-N 3.4Å |
| 124 | I | 91.5 | Very high | 86.4 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 4% | 0.041 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 138.4 | 172.2 | -70 | 176.7 | 0 | 0 | 0 | 110.4 | F100 L104 E106 L109 R126 A137 | F100-I124 HydrophobicContact CE2-CD1 4.04Å; F100-I124 HydrophobicContact CE2-CG1 4.26Å; F100-I124 HydrophobicContact CZ-CD1 4.3Å; F100-I124 HydrophobicContact CZ-CG1 4.01Å; F100-I124 HydrophobicContact CZ-CG2 4.33Å; L104-I124 VanDerWaalsContact O-CD1 3.25Å; L104-I124 WeakPolarHBondContact O-CD1 3.28Å; E106-I124 HydrophobicContact CG-CB 4.02Å; E106-I124 HydrophobicContact CG-CD1 3.84Å; E106-I124 HydrophobicContact CG-CG1 3.63Å; E106-I124 PolarHBondContact OE1-N 3.1Å; L109-I124 HydrophobicContact CD1-CD1 3.92Å; L109-I124 HydrophobicContact CD1-CG1 3.66Å; I124-R126 HydrophobicContact CG2-CG 4.12Å; I124-R126 PolarHBondContact O-N 3.18Å; I124-A137 HydrophobicContact CG1-CB 4.14Å |
| 125 | L | 88.6 | Confident | 86.1 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 101.2 | 170.2 | -70.7 | 73.4 | 0 | 0 | 0 | 108.2 | Y96 K134 S136 Y138 | Y96-L125 HydrophobicContact CE2-CD1 4.34Å; Y96-L125 HydrophobicContact CE2-CD2 4.11Å; L125-K134 WeakPolarHBondContact O-CB 3.3Å; L125-K134 PolarHBondContact O-N 3.05Å; L125-S136 PolarHBondContact N-O 2.71Å; L125-Y138 HydrophobicContact CD1-CD2 3.62Å; L125-Y138 HydrophobicContact CD1-CE2 3.75Å; L125-Y138 HydrophobicContact CD1-CG 4.41Å; L125-Y138 HydrophobicContact CD2-CE2 4.11Å; L125-Y138 HydrophobicContact CG-CE2 4.28Å |
| 126 | R | 89.1 | Confident | 86.1 | Confident | 127 Ų | 127 | 70.6 Ų | 70.6 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 161.2 | 167.5 | -64.5 | 177.7 | -175 | 165.2 | 7.5 | 110.5 | I124 N131 V132 | I124-R126 HydrophobicContact CG2-CG 4.12Å; I124-R126 PolarHBondContact O-N 3.18Å; R126-N131 WeakPolarHBondContact CD-O 3.33Å; R126-V132 CarbonylContact C-O 3.57Å; R126-V132 VanDerWaalsContact CA-O 3.32Å; R126-V132 WeakPolarHBondContact CA-O 3.37Å |
| 127 | D | 83.9 | Confident | 86.1 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | trans | -73.1 | 145.8 | 166.5 | -134.2 | -32.2 | 0 | 0 | 0 | 111.5 | T130 N131 V132 K134 | D127-T130 WeakPolarHBondContact CB-OG1 3.47Å; D127-N131 WeakPolarHBondContact O-CA 3.43Å; D127-N131 PolarHBondContact O-N 2.85Å; D127-V132 PolarHBondContact N-O 3.12Å; D127-K134 VanDerWaalsContact CA-CE 3.45Å; D127-K134 HydrophobicContact CB-CG 4.46Å; D127-K134 VanDerWaalsContact OD1-CE 3.29Å; D127-K134 WeakPolarHBondContact OD1-CE 3.4Å; D127-K134 IonicContact OD1-NZ 2.68Å; D127-K134 PolarHBondContact OD1-NZ 3.4Å; D127-K134 VanDerWaalsContact OD2-CE 3.3Å; D127-K134 WeakPolarHBondContact OD2-CE 3.32Å; D127-K134 IonicContact OD2-NZ 2.66Å; D127-K134 PolarHBondContact OD2-NZ 3.22Å | ||
| 128 | H | 77.6 | Confident | 86.3 | Confident | 157 Ų | 157 | 72.1 Ų | 72.1 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -43.5 | -179.9 | 178.2 | -92.2 | 0 | 0 | 0 | 110.4 | ||
| 129 | D | 80.4 | Confident | 86.3 | Confident | 133 Ų | 133 | 69 Ų | 69 | 71% | 0.711 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -25.5 | -166.9 | -45.3 | -52.4 | 0 | 0 | 0 | 112.9 | ||
| 130 | T | 82.1 | Confident | 86.2 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | -9.8 | 179.8 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | D127 V132 | D127-T130 WeakPolarHBondContact CB-OG1 3.47Å; T130-V132 PolarHBondContact O-N 3.44Å; T130-V132 PolarHBondContact OG1-N 3.27Å |
| 131 | N | 77.5 | Confident | 86.4 | Confident | 113 Ų | 113 | 65.6 Ų | 65.6 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | trans | 55.3 | 7.3 | -170.4 | -78.8 | -85.1 | 0 | 0 | 0 | 116.1 | R126 D127 | R126-N131 WeakPolarHBondContact CD-O 3.33Å; D127-N131 WeakPolarHBondContact O-CA 3.43Å; D127-N131 PolarHBondContact O-N 2.85Å | ||
| 132 | V | 80.2 | Confident | 86.2 | Confident | 82 Ų | 82 | 65.1 Ų | 65.1 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | trans | -73.1 | 133.9 | 178 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | P102 R126 D127 T130 K134 | P102-V132 HydrophobicContact CB-CG1 4.38Å; R126-V132 CarbonylContact C-O 3.57Å; R126-V132 VanDerWaalsContact CA-O 3.32Å; R126-V132 WeakPolarHBondContact CA-O 3.37Å; D127-V132 PolarHBondContact N-O 3.12Å; T130-V132 PolarHBondContact O-N 3.44Å; T130-V132 PolarHBondContact OG1-N 3.27Å; V132-K134 PolarHBondContact O-N 2.82Å | ||
| 133 | S | 82.2 | Confident | 85.9 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 119.6 | 172.8 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | P102 G135 | P102-S133 VanDerWaalsContact O-CB 3.32Å; P102-S133 WeakPolarHBondContact O-CB 3.24Å; P102-S133 PolarHBondContact O-OG 3.49Å; P102-S133 VanDerWaalsContact O-OG 3.12Å; S133-G135 PolarHBondContact O-N 2.78Å |
| 134 | K | 82.8 | Confident | 85.7 | Confident | 107 Ų | 107 | 60.4 Ų | 60.4 | 47% | 0.465 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 28.3 | 179.5 | -55.3 | -167 | -169.4 | -124.5 | 0 | 113.6 | L125 D127 V132 S136 | L125-K134 WeakPolarHBondContact O-CB 3.3Å; L125-K134 PolarHBondContact O-N 3.05Å; D127-K134 VanDerWaalsContact CA-CE 3.45Å; D127-K134 HydrophobicContact CB-CG 4.46Å; D127-K134 VanDerWaalsContact OD1-CE 3.29Å; D127-K134 WeakPolarHBondContact OD1-CE 3.4Å; D127-K134 IonicContact OD1-NZ 2.68Å; D127-K134 PolarHBondContact OD1-NZ 3.4Å; D127-K134 VanDerWaalsContact OD2-CE 3.3Å; D127-K134 WeakPolarHBondContact OD2-CE 3.32Å; D127-K134 IonicContact OD2-NZ 2.66Å; D127-K134 PolarHBondContact OD2-NZ 3.22Å; V132-K134 PolarHBondContact O-N 2.82Å; K134-S136 WeakPolarHBondContact O-CB 3.29Å; K134-S136 PolarHBondContact O-N 2.98Å; K134-S136 PolarHBondContact O-OG 2.87Å |
| 135 | G | 85.8 | Confident | 85.5 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.4 | 38.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K98 N99 F100 S133 | K98-G135 CarbonylContact C-O 3.55Å; K98-G135 VanDerWaalsContact CA-O 3.24Å; K98-G135 WeakPolarHBondContact CA-O 3.14Å; N99-G135 PolarHBondContact N-O 3.48Å; F100-G135 VanDerWaalsContact CE1-C 3.48Å; F100-G135 WeakPolarHBondContact O-CA 3.32Å; S133-G135 PolarHBondContact O-N 2.78Å |
| 136 | S | 90.7 | Very high | 85.6 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138.8 | -170.5 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | V97 K98 F100 L125 K134 | V97-S136 CarbonylContact O-C 3.45Å; V97-S136 VanDerWaalsContact O-CA 3.28Å; V97-S136 WeakPolarHBondContact O-CA 3.43Å; K98-S136 VanDerWaalsContact CE-OG 3.24Å; K98-S136 WeakPolarHBondContact CE-OG 3.48Å; F100-S136 VanDerWaalsContact CE1-CA 3.5Å; F100-S136 VanDerWaalsContact CE1-N 3.29Å; F100-S136 VanDerWaalsContact CZ-C 3.43Å; F100-S136 VanDerWaalsContact CZ-N 3.26Å; F100-S136 WeakPolarHBondContact CZ-O 3.18Å; L125-S136 PolarHBondContact N-O 2.71Å; K134-S136 WeakPolarHBondContact O-CB 3.29Å; K134-S136 PolarHBondContact O-N 2.98Å; K134-S136 PolarHBondContact O-OG 2.87Å |
| 137 | A | 91.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 159.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y96 V97 F100 L109 R123 I124 | Y96-A137 WeakPolarHBondContact CA-O 3.28Å; Y96-A137 VanDerWaalsContact CD2-O 3.32Å; Y96-A137 WeakPolarHBondContact CD2-O 3.38Å; V97-A137 HydrophobicContact CB-CB 4.42Å; V97-A137 PolarHBondContact N-O 3.16Å; V97-A137 PolarHBondContact O-N 2.84Å; F100-A137 HydrophobicContact CE1-CB 3.64Å; F100-A137 HydrophobicContact CZ-CB 3.76Å; L109-A137 HydrophobicContact CD1-CB 3.57Å; R123-A137 CarbonylContact O-C 3.48Å; R123-A137 VanDerWaalsContact O-CA 3.22Å; R123-A137 WeakPolarHBondContact O-CA 3.36Å; R123-A137 WeakPolarHBondContact O-CB 3.34Å; I124-A137 HydrophobicContact CG1-CB 4.14Å |
| 138 | Y | 92 | Very high | 86 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.7 | 162.3 | -67.9 | -68.5 | 0 | 0 | 0 | 110 | L95 Y96 C122 R123 L125 A173 | L95-Y138 CarbonylContact O-C 3.54Å; L95-Y138 VanDerWaalsContact O-CA 3.31Å; L95-Y138 WeakPolarHBondContact O-CA 3.48Å; Y96-Y138 AromaticContact CD2-CD1 3.83Å; Y96-Y138 HydrophobicContact CD2-CD1 3.83Å; Y96-Y138 AromaticContact CD2-CE1 3.44Å; Y96-Y138 HydrophobicContact CD2-CE1 3.44Å; Y96-Y138 VanDerWaalsContact CD2-CE1 3.44Å; Y96-Y138 AromaticContact CD2-CZ 3.82Å; Y96-Y138 HydrophobicContact CE2-CE1 4.26Å; Y96-Y138 HydrophobicContact CG-CD1 4.33Å; Y96-Y138 AromaticContact CG-CE1 3.84Å; Y96-Y138 HydrophobicContact CG-CE1 3.84Å; C122-Y138 CarbonylContact C-O 3.35Å; R123-Y138 PolarHBondContact N-O 3.45Å; R123-Y138 PolarHBondContact O-N 3.4Å; L125-Y138 HydrophobicContact CD1-CD2 3.62Å; L125-Y138 HydrophobicContact CD1-CE2 3.75Å; L125-Y138 HydrophobicContact CD1-CG 4.41Å; L125-Y138 HydrophobicContact CD2-CE2 4.11Å; L125-Y138 HydrophobicContact CG-CE2 4.28Å; Y138-A173 HydrophobicContact CD1-CB 3.98Å; Y138-A173 HydrophobicContact CE1-CB 3.97Å |
| 139 | V | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 112.5 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | L95 V97 F113 V119 F141 | L95-V139 PolarHBondContact N-O 2.8Å; L95-V139 PolarHBondContact O-N 2.78Å; V97-V139 HydrophobicContact CG2-CG2 3.85Å; F113-V139 HydrophobicContact CB-CG1 4.01Å; F113-V139 HydrophobicContact CD1-CB 4.47Å; F113-V139 HydrophobicContact CD1-CG1 4.03Å; F113-V139 HydrophobicContact CD2-CG2 4.4Å; F113-V139 HydrophobicContact CG-CG1 4.03Å; F113-V139 HydrophobicContact CG-CG2 4.38Å; V119-V139 HydrophobicContact CG1-CG1 3.89Å; V119-V139 HydrophobicContact CG2-CG1 4.08Å; V139-F141 HydrophobicContact CG1-CD2 4.25Å; V139-F141 HydrophobicContact CG1-CE2 3.84Å; V139-F141 HydrophobicContact CG1-CZ 4.47Å |
| 140 | L | 88.8 | Confident | 87.3 | Confident | 46 Ų | 46 | 42.6 Ų | 42.6 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 112.6 | 177.9 | 177.3 | 68.6 | 0 | 0 | 0 | 109.6 | S93 N94 V119 V120 Q121 | S93-L140 WeakPolarHBondContact OG-CD1 3.47Å; N94-L140 HydrophobicContact CB-CD1 3.87Å; V119-L140 CarbonylContact C-O 3.52Å; V120-L140 HydrophobicContact CB-CD2 4.14Å; V120-L140 HydrophobicContact CB-CG 4.2Å; V120-L140 HydrophobicContact CG1-CD2 4.02Å; V120-L140 PolarHBondContact N-O 3.02Å; Q121-L140 HydrophobicContact CB-CB 4.09Å; Q121-L140 HydrophobicContact CB-CD2 4.31Å; Q121-L140 PolarHBondContact N-O 2.92Å; Q121-L140 PolarHBondContact O-N 3.45Å |
| 141 | F | 90.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 157.2 | 165.6 | -72.5 | -94.4 | 0 | 0 | 0 | 111.4 | S93 L95 F113 F116 G117 P118 V119 V139 N143 D146 A147 A150 | S93-F141 WeakPolarHBondContact CB-O 3.49Å; S93-F141 PolarHBondContact O-N 3.28Å; S93-F141 PolarHBondContact OG-O 3.03Å; L95-F141 HydrophobicContact CD1-CD2 4.22Å; L95-F141 HydrophobicContact CD1-CE2 3.79Å; F113-F141 HydrophobicContact CB-CE2 4.43Å; F113-F141 HydrophobicContact CB-CZ 3.87Å; F113-F141 AromaticContact CD1-CE2 3.87Å; F113-F141 HydrophobicContact CD1-CE2 3.87Å; F113-F141 AromaticContact CD1-CZ 3.9Å; F113-F141 HydrophobicContact CD1-CZ 3.9Å; F113-F141 HydrophobicContact CG-CZ 4.41Å; F113-F141 WeakPolarHBondContact O-CE1 3.18Å; F113-F141 WeakPolarHBondContact O-CZ 3.15Å; F116-F141 HydrophobicContact CB-CE1 4.1Å; F116-F141 HydrophobicContact CB-CZ 4.28Å; G117-F141 WeakPolarHBondContact O-CE1 3.42Å; P118-F141 WeakPolarHBondContact O-CA 3.48Å; V119-F141 HydrophobicContact CG2-CD1 4.35Å; V119-F141 HydrophobicContact CG2-CE1 4Å; V119-F141 HydrophobicContact CG2-CZ 4.2Å; V139-F141 HydrophobicContact CG1-CD2 4.25Å; V139-F141 HydrophobicContact CG1-CE2 3.84Å; V139-F141 HydrophobicContact CG1-CZ 4.47Å; F141-N143 WeakPolarHBondContact CB-O 3.37Å; F141-D146 HydrophobicContact CB-CB 4.34Å; F141-D146 HydrophobicContact CD1-CB 3.61Å; F141-D146 HydrophobicContact CE1-CB 4.19Å; F141-D146 HydrophobicContact CG-CB 4.16Å; F141-A147 HydrophobicContact CB-CB 4.12Å; F141-A147 HydrophobicContact CD2-CB 3.7Å; F141-A147 HydrophobicContact CE2-CB 4.45Å; F141-A147 HydrophobicContact CG-CB 4.1Å; F141-A150 HydrophobicContact CE2-CB 3.88Å; F141-A150 HydrophobicContact CZ-CB 3.66Å |
| 142 | E | 84.2 | Confident | 88.4 | Confident | 100 Ų | 100 | 43.1 Ų | 43.1 | 47% | 0.467 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -66.4 | -51.3 | 171.3 | -169.2 | 171.1 | -173.9 | 0 | 0 | 111.4 | K84 P118 V120 | K84-E142 PolarHBondContact NZ-O 2.95Å; P118-E142 HydrophobicContact CG-CB 3.97Å; P118-E142 WeakPolarHBondContact CG-OE2 3.35Å; P118-E142 PolarHBondContact O-N 3.29Å; V120-E142 HydrophobicContact CG2-CB 3.69Å; V120-E142 HydrophobicContact CG2-CG 4.27Å |
| 143 | N | 83.9 | Confident | 88.9 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -96.6 | 150.2 | 177.7 | -54.3 | -67.9 | 0 | 0 | 0 | 112 | S93 F141 D146 | S93-N143 VanDerWaalsContact CB-O 3.31Å; S93-N143 WeakPolarHBondContact CB-O 3.36Å; F141-N143 WeakPolarHBondContact CB-O 3.37Å; N143-D146 HydrophobicContact CB-CB 4.42Å; N143-D146 WeakPolarHBondContact CB-OD1 3.37Å; N143-D146 WeakPolarHBondContact CB-OD2 3.47Å; N143-D146 PolarHBondContact ND2-OD2 3.4Å |
| 144 | P | 85.2 | Confident | 89.2 | Confident | 24 Ų | 24 | 42 Ų | 42 | 16% | 0.156 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.7 | -28.1 | 172.9 | 31.8 | -35.8 | 0 | 0 | 0 | 112.8 | V2 Q91 A147 E148 | V2-P144 HydrophobicContact CG2-CG 4.05Å; Q91-P144 WeakPolarHBondContact O-CB 3.31Å; P144-A147 PolarHBondContact O-N 3.01Å; P144-E148 WeakPolarHBondContact O-CG 3.43Å; P144-E148 PolarHBondContact O-N 2.92Å |
| 145 | A | 87.1 | Confident | 89.5 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 45% | 0.446 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.1 | -44.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A147 E148 A149 | A145-A147 VanDerWaalsContact C-N 3.33Å; A145-A147 PolarHBondContact O-N 3.45Å; A145-E148 CarbonylContact O-C 3.55Å; A145-E148 WeakPolarHBondContact O-CA 3.46Å; A145-E148 WeakPolarHBondContact O-CB 3.2Å; A145-E148 PolarHBondContact O-N 2.98Å; A145-E148 VanDerWaalsContact O-N 3.08Å; A145-A149 PolarHBondContact O-N 2.93Å |
| 146 | D | 90.9 | Very high | 89.4 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 176.7 | -47.7 | 7.8 | 0 | 0 | 0 | 110.3 | F116 F141 N143 A149 A150 | F116-D146 WeakPolarHBondContact O-CB 3.26Å; F141-D146 HydrophobicContact CB-CB 4.34Å; F141-D146 HydrophobicContact CD1-CB 3.61Å; F141-D146 HydrophobicContact CE1-CB 4.19Å; F141-D146 HydrophobicContact CG-CB 4.16Å; N143-D146 HydrophobicContact CB-CB 4.42Å; N143-D146 WeakPolarHBondContact CB-OD1 3.37Å; N143-D146 WeakPolarHBondContact CB-OD2 3.47Å; N143-D146 PolarHBondContact ND2-OD2 3.4Å; D146-A149 PolarHBondContact O-N 3.22Å; D146-A150 WeakPolarHBondContact O-CB 3.22Å; D146-A150 PolarHBondContact O-N 2.84Å |
| 147 | A | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L95 F141 P144 A145 K151 | L95-A147 HydrophobicContact CD1-CB 4.26Å; L95-A147 HydrophobicContact CD2-CB 4.08Å; L95-A147 HydrophobicContact CG-CB 4.05Å; F141-A147 HydrophobicContact CB-CB 4.12Å; F141-A147 HydrophobicContact CD2-CB 3.7Å; F141-A147 HydrophobicContact CE2-CB 4.45Å; F141-A147 HydrophobicContact CG-CB 4.1Å; P144-A147 PolarHBondContact O-N 3.01Å; A145-A147 VanDerWaalsContact C-N 3.33Å; A145-A147 PolarHBondContact O-N 3.45Å; A147-K151 WeakPolarHBondContact O-CB 3.28Å; A147-K151 PolarHBondContact O-N 3.11Å |
| 148 | E | 90.5 | Very high | 88.6 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66 | -39.3 | 172 | -68.6 | -178.9 | -157.7 | 0 | 0 | 112 | Q91 P144 A145 K151 R152 F172 | Q91-E148 HydrophobicContact CB-CG 4.06Å; Q91-E148 VanDerWaalsContact CD-OE1 3.25Å; Q91-E148 HydrophobicContact CG-CG 4.31Å; Q91-E148 WeakPolarHBondContact CG-OE1 3.22Å; Q91-E148 PolarHBondContact NE2-OE1 2.9Å; Q91-E148 PolarHBondContact NE2-OE2 2.86Å; P144-E148 WeakPolarHBondContact O-CG 3.43Å; P144-E148 PolarHBondContact O-N 2.92Å; A145-E148 CarbonylContact O-C 3.55Å; A145-E148 WeakPolarHBondContact O-CA 3.46Å; A145-E148 WeakPolarHBondContact O-CB 3.2Å; A145-E148 PolarHBondContact O-N 2.98Å; A145-E148 VanDerWaalsContact O-N 3.08Å; E148-K151 PolarHBondContact O-N 2.89Å; E148-R152 WeakPolarHBondContact O-CB 3.35Å; E148-R152 VanDerWaalsContact O-CG 3.28Å; E148-R152 WeakPolarHBondContact O-CG 3.4Å; E148-R152 PolarHBondContact O-N 3.38Å; E148-R152 IonicContact OE2-CZ 2.64Å; E148-R152 IonicContact OE2-NH1 2.71Å; E148-R152 PolarHBondContact OE2-NH1 2.83Å; E148-R152 IonicContact OE2-NH2 3.48Å; E148-R152 PolarHBondContact OE2-NH2 2.78Å; E148-F172 HydrophobicContact CG-CZ 3.99Å |
| 149 | A | 91.8 | Very high | 88.1 | Confident | 33 Ų | 33 | 46 Ų | 46 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.5 | -51.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F116 A145 D146 K151 R152 S153 | F116-A149 HydrophobicContact CD1-CB 4.03Å; A145-A149 PolarHBondContact O-N 2.93Å; D146-A149 PolarHBondContact O-N 3.22Å; A149-K151 VanDerWaalsContact C-N 3.26Å; A149-K151 PolarHBondContact O-N 3.42Å; A149-R152 PolarHBondContact O-N 3.19Å; A149-S153 PolarHBondContact O-N 2.8Å; A149-S153 PolarHBondContact O-OG 3.4Å |
| 150 | A | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.7 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L95 F113 F116 F141 D146 R152 S153 L154 | L95-A150 HydrophobicContact CD1-CB 4.11Å; F113-A150 HydrophobicContact CD1-CB 4Å; F113-A150 HydrophobicContact CE1-CB 4.31Å; F116-A150 HydrophobicContact CB-CB 3.9Å; F116-A150 HydrophobicContact CD1-CB 4.36Å; F116-A150 HydrophobicContact CD2-CB 3.68Å; F116-A150 HydrophobicContact CE2-CB 4.32Å; F116-A150 HydrophobicContact CG-CB 3.71Å; F141-A150 HydrophobicContact CE2-CB 3.88Å; F141-A150 HydrophobicContact CZ-CB 3.66Å; D146-A150 WeakPolarHBondContact O-CB 3.22Å; D146-A150 PolarHBondContact O-N 2.84Å; A150-R152 VanDerWaalsContact C-N 3.35Å; A150-R152 PolarHBondContact O-N 3Å; A150-S153 PolarHBondContact O-N 3.13Å; A150-L154 WeakPolarHBondContact O-CB 3.25Å; A150-L154 PolarHBondContact O-N 2.88Å |
| 151 | K | 91.8 | Very high | 86.1 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 20% | 0.204 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.6 | -20.7 | 177.9 | -167 | -107.6 | 154.5 | -77.3 | 0 | 114.1 | L95 A147 E148 A149 D155 I170 F172 | L95-K151 HydrophobicContact CD1-CB 4.37Å; L95-K151 HydrophobicContact CD2-CB 4.08Å; L95-K151 HydrophobicContact CD2-CG 4.39Å; A147-K151 WeakPolarHBondContact O-CB 3.28Å; A147-K151 PolarHBondContact O-N 3.11Å; E148-K151 PolarHBondContact O-N 2.89Å; A149-K151 VanDerWaalsContact C-N 3.26Å; A149-K151 PolarHBondContact O-N 3.42Å; K151-D155 IonicContact NZ-OD2 2.84Å; K151-D155 PolarHBondContact NZ-OD2 3.38Å; K151-D155 WeakPolarHBondContact O-CB 3.39Å; K151-I170 HydrophobicContact CB-CG2 4Å; K151-I170 VanDerWaalsContact CE-O 3.27Å; K151-I170 WeakPolarHBondContact CE-O 3.39Å; K151-I170 HydrophobicContact CG-CB 4.14Å; K151-I170 HydrophobicContact CG-CG2 3.71Å; K151-I170 WeakPolarHBondContact CG-O 3.41Å; K151-F172 HydrophobicContact CB-CZ 4.45Å; K151-F172 HydrophobicContact CD-CE2 3.84Å; K151-F172 HydrophobicContact CD-CZ 4.11Å |
| 152 | R | 91.6 | Very high | 85 | Confident | 167 Ų | 167 | 52.5 Ų | 52.5 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -80.1 | -35.7 | 171.5 | -77.4 | 175.9 | -168.9 | 108.7 | 7.8 | 112.2 | E148 A149 A150 | E148-R152 WeakPolarHBondContact O-CB 3.35Å; E148-R152 VanDerWaalsContact O-CG 3.28Å; E148-R152 WeakPolarHBondContact O-CG 3.4Å; E148-R152 PolarHBondContact O-N 3.38Å; E148-R152 IonicContact OE2-CZ 2.64Å; E148-R152 IonicContact OE2-NH1 2.71Å; E148-R152 PolarHBondContact OE2-NH1 2.83Å; E148-R152 IonicContact OE2-NH2 3.48Å; E148-R152 PolarHBondContact OE2-NH2 2.78Å; A149-R152 PolarHBondContact O-N 3.19Å; A150-R152 VanDerWaalsContact C-N 3.35Å; A150-R152 PolarHBondContact O-N 3Å |
| 153 | S | 90.2 | Very high | 84 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -100.5 | -20.8 | -170.6 | -58.6 | 0 | 0 | 0 | 0 | 115.3 | A149 A150 | A149-S153 PolarHBondContact O-N 2.8Å; A149-S153 PolarHBondContact O-OG 3.4Å; A150-S153 PolarHBondContact O-N 3.13Å |
| 154 | L | 88 | Confident | 83.1 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -108.4 | -15.2 | 178.7 | -62.9 | 179.6 | 0 | 0 | 0 | 114.1 | F113 F116 A150 R157 L168 I170 | F113-L154 HydrophobicContact CD1-CD1 4.01Å; F113-L154 HydrophobicContact CD2-CD1 4.16Å; F113-L154 HydrophobicContact CE1-CD1 3.8Å; F113-L154 HydrophobicContact CE2-CD1 3.96Å; F113-L154 HydrophobicContact CG-CD1 4.2Å; F113-L154 HydrophobicContact CZ-CD1 3.76Å; F116-L154 HydrophobicContact CD2-CD1 4.31Å; F116-L154 HydrophobicContact CE2-CD1 3.65Å; F116-L154 HydrophobicContact CE2-CD2 4.14Å; F116-L154 HydrophobicContact CE2-CG 3.65Å; F116-L154 HydrophobicContact CZ-CD1 4.48Å; F116-L154 HydrophobicContact CZ-CD2 4.37Å; F116-L154 HydrophobicContact CZ-CG 4Å; A150-L154 WeakPolarHBondContact O-CB 3.25Å; A150-L154 PolarHBondContact O-N 2.88Å; L154-R157 WeakPolarHBondContact O-CB 3.14Å; L154-R157 PolarHBondContact O-N 2.63Å; L154-L168 WeakPolarHBondContact O-CB 3.4Å; L154-I170 HydrophobicContact CB-CD1 3.32Å; L154-I170 HydrophobicContact CD1-CD1 4.48Å |
| 155 | D | 89 | Confident | 82.3 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 134.1 | 175.9 | -165.7 | 33 | 0 | 0 | 0 | 109.9 | K151 R157 S169 I170 | K151-D155 IonicContact NZ-OD2 2.84Å; K151-D155 PolarHBondContact NZ-OD2 3.38Å; K151-D155 WeakPolarHBondContact O-CB 3.39Å; D155-R157 PolarHBondContact O-N 2.79Å; D155-S169 WeakPolarHBondContact OD1-CA 3.43Å; D155-I170 HydrophobicContact CB-CB 4.11Å; D155-I170 PolarHBondContact OD1-N 3.08Å |
| 156 | A | 83.9 | Confident | 81.6 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 51% | 0.512 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 5.9 | -168 | 0 | 0 | 0 | 0 | 0 | 116.9 | L168 | A156-L168 WeakPolarHBondContact CA-O 3.48Å; A156-L168 PolarHBondContact N-O 3.47Å |
| 157 | R | 84.7 | Confident | 81.3 | Confident | 104 Ų | 104 | 68 Ų | 68 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -75 | 141.3 | 171.2 | -164.8 | -177.3 | 178.7 | -143.5 | -0.5 | 109.9 | E112 L154 D155 L168 | E112-R157 IonicContact OE2-CZ 3.4Å; E112-R157 IonicContact OE2-NH1 3.98Å; E112-R157 PolarHBondContact OE2-NH1 3.23Å; L154-R157 WeakPolarHBondContact O-CB 3.14Å; L154-R157 PolarHBondContact O-N 2.63Å; D155-R157 PolarHBondContact O-N 2.79Å; R157-L168 HydrophobicContact CB-CD1 4.47Å; R157-L168 WeakPolarHBondContact O-CB 3.32Å; R157-L168 VanDerWaalsContact O-CG 3.28Å; R157-L168 WeakPolarHBondContact O-CG 3.3Å; R157-L168 PolarHBondContact O-N 3.01Å |
| 158 | A | 82.4 | Confident | 81.1 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 49% | 0.488 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -73.6 | 139.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 159 | W | 80.3 | Confident | 81.1 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 131.4 | 177.4 | -173.9 | -80.7 | 0 | 0 | 0 | 110.6 | L104 D108 L109 E112 G161 S162 L168 | L104-W159 HydrophobicContact CD1-CD2 4.44Å; L104-W159 HydrophobicContact CD1-CH2 4.45Å; L104-W159 HydrophobicContact CD1-CZ2 3.54Å; L104-W159 HydrophobicContact CD2-CD2 4.15Å; L104-W159 HydrophobicContact CD2-CE3 4.22Å; L104-W159 HydrophobicContact CD2-CH2 3.71Å; L104-W159 HydrophobicContact CD2-CZ2 3.62Å; L104-W159 HydrophobicContact CD2-CZ3 4.02Å; L104-W159 HydrophobicContact CG-CZ2 4.17Å; D108-W159 HydrophobicContact CB-CZ2 4.28Å; L109-W159 HydrophobicContact CD2-CH2 4.01Å; L109-W159 HydrophobicContact CD2-CZ3 3.8Å; E112-W159 HydrophobicContact CB-CH2 3.72Å; E112-W159 HydrophobicContact CB-CZ3 4.19Å; E112-W159 HydrophobicContact CG-CH2 3.59Å; E112-W159 HydrophobicContact CG-CZ2 3.89Å; E112-W159 HydrophobicContact CG-CZ3 4.29Å; W159-G161 PolarHBondContact O-N 2.79Å; W159-S162 WeakPolarHBondContact O-CB 3.45Å; W159-S162 PolarHBondContact O-N 2.62Å; W159-L168 HydrophobicContact CB-CD2 4.39Å; W159-L168 HydrophobicContact CE3-CD1 3.87Å; W159-L168 HydrophobicContact CE3-CD2 3.91Å; W159-L168 HydrophobicContact CE3-CG 4.48Å |
| 160 | P | 70.8 | Confident | 81.1 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 121.7 | -179.4 | 24.4 | -34 | 0 | 0 | 0 | 111.4 | ||
| 161 | G | 67.7 | Low | 81 | Confident | 81 Ų | 81 | 71.1 Ų | 71.1 | 84% | 0.835 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 7.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | W159 T163 | W159-G161 PolarHBondContact O-N 2.79Å; G161-T163 PolarHBondContact O-N 3.4Å |
| 162 | S | 67.2 | Low | 80.9 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 21% | 0.21 | 40% | 0.403 | C | S | . | . | trans | -73.3 | 123.2 | 169 | -151.7 | 0 | 0 | 0 | 0 | 110.8 | W159 D164 | W159-S162 WeakPolarHBondContact O-CB 3.45Å; W159-S162 PolarHBondContact O-N 2.62Å; S162-D164 PolarHBondContact OG-O 3.38Å | ||
| 163 | T | 64.5 | Low | 80.5 | Confident | 150 Ų | 150 | 64.2 Ų | 64.2 | 92% | 0.92 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -82.2 | -21.6 | 175.8 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | G161 | G161-T163 PolarHBondContact O-N 3.4Š|
| 164 | D | 64.8 | Low | 80 | Confident | 93 Ų | 93 | 65.1 Ų | 65.1 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -90.4 | 137.1 | 168 | -170.3 | -0.7 | 0 | 0 | 0 | 108.1 | S162 Q166 | S162-D164 PolarHBondContact OG-O 3.38Å; D164-Q166 HydrophobicContact CB-CG 4.21Å; D164-Q166 PolarHBondContact O-N 3.39Å; D164-Q166 WeakPolarHBondContact OD2-CG 3.35Å; D164-Q166 PolarHBondContact OD2-NE2 2.9Å |
| 165 | N | 67.9 | Low | 79 | Confident | 153 Ų | 153 | 68.3 Ų | 68.3 | 82% | 0.818 | 40% | 0.401 | S | S | * | . | trans | -76.4 | 38.4 | -172.5 | -91.2 | -28 | 0 | 0 | 0 | 112.8 | M167 | N165-M167 PolarHBondContact O-N 3.28Š| ||
| 166 | Q | 72.4 | Confident | 77.8 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 33% | 0.332 | 42% | 0.42 | S | S | . | . | trans | -76.7 | 110.3 | -178.4 | -63.6 | -161.1 | 24.6 | 0 | 0 | 111 | N99 D164 | N99-Q166 HydrophobicContact CB-CB 4.27Å; D164-Q166 HydrophobicContact CB-CG 4.21Å; D164-Q166 PolarHBondContact O-N 3.39Å; D164-Q166 WeakPolarHBondContact OD2-CG 3.35Å; D164-Q166 PolarHBondContact OD2-NE2 2.9Å | ||
| 167 | M | 83.9 | Confident | 76.3 | Confident | 122 Ų | 122 | 74.1 Ų | 74.1 | 60% | 0.601 | 42% | 0.42 | S | S | * | . | B | Isolated β-bridge | trans | -73.9 | 133.1 | 167.8 | -65.5 | 175.8 | 175.5 | 0 | 0 | 110.4 | N99 N165 | N99-M167 WeakPolarHBondContact CB-O 3.14Å; N165-M167 PolarHBondContact O-N 3.28Å |
| 168 | L | 87.2 | Confident | 74.7 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | trans | -60.2 | 136.5 | 176.8 | -64.9 | 164.9 | 0 | 0 | 0 | 110.8 | V97 K98 F100 L154 A156 R157 W159 | V97-L168 HydrophobicContact CG1-CD2 4.47Å; K98-L168 WeakPolarHBondContact O-CA 3.33Å; F100-L168 HydrophobicContact CB-CD2 3.78Å; L154-L168 WeakPolarHBondContact O-CB 3.4Å; A156-L168 WeakPolarHBondContact CA-O 3.48Å; A156-L168 PolarHBondContact N-O 3.47Å; R157-L168 HydrophobicContact CB-CD1 4.47Å; R157-L168 WeakPolarHBondContact O-CB 3.32Å; R157-L168 VanDerWaalsContact O-CG 3.28Å; R157-L168 WeakPolarHBondContact O-CG 3.3Å; R157-L168 PolarHBondContact O-N 3.01Å; W159-L168 HydrophobicContact CB-CD2 4.39Å; W159-L168 HydrophobicContact CE3-CD1 3.87Å; W159-L168 HydrophobicContact CE3-CD2 3.91Å; W159-L168 HydrophobicContact CE3-CG 4.48Å | ||
| 169 | S | 90 | Very high | 72.9 | Confident | 16 Ų | 16 | 82.5 Ų | 82.5 | 11% | 0.112 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 104 | 176.3 | 142.9 | 0 | 0 | 0 | 0 | 109.6 | K98 D155 K171 | K98-S169 PolarHBondContact N-O 2.85Å; K98-S169 PolarHBondContact O-N 3.1Å; D155-S169 WeakPolarHBondContact OD1-CA 3.43Å; S169-K171 PolarHBondContact OG-NZ 3.36Å |
| 170 | I | 91.7 | Very high | 71.1 | Confident | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.1 | -174.5 | -53.5 | 178.6 | 0 | 0 | 0 | 110.3 | L95 V97 F113 K151 L154 D155 | L95-I170 HydrophobicContact CB-CG2 4.12Å; L95-I170 HydrophobicContact CD1-CG2 3.84Å; L95-I170 HydrophobicContact CD2-CG2 4.27Å; L95-I170 HydrophobicContact CG-CG2 4.31Å; V97-I170 HydrophobicContact CG1-CG1 4.24Å; V97-I170 HydrophobicContact CG2-CG1 4.47Å; F113-I170 HydrophobicContact CE1-CD1 3.9Å; F113-I170 HydrophobicContact CZ-CD1 3.65Å; F113-I170 HydrophobicContact CZ-CG1 4.44Å; K151-I170 HydrophobicContact CB-CG2 4Å; K151-I170 VanDerWaalsContact CE-O 3.27Å; K151-I170 WeakPolarHBondContact CE-O 3.39Å; K151-I170 HydrophobicContact CG-CB 4.14Å; K151-I170 HydrophobicContact CG-CG2 3.71Å; K151-I170 WeakPolarHBondContact CG-O 3.41Å; L154-I170 HydrophobicContact CB-CD1 3.32Å; L154-I170 HydrophobicContact CD1-CD1 4.48Å; D155-I170 HydrophobicContact CB-CB 4.11Å; D155-I170 PolarHBondContact OD1-N 3.08Å |
| 171 | K | 90.6 | Very high | 69.9 | Low | 116 Ų | 116 | 88.1 Ų | 88.1 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 146.3 | -175.4 | -73.6 | 157.5 | -176 | 139.9 | 0 | 109.9 | Y96 S169 A173 | Y96-K171 PolarHBondContact N-O 3.4Å; Y96-K171 PolarHBondContact O-N 3.46Å; S169-K171 PolarHBondContact OG-NZ 3.36Å; K171-A173 PolarHBondContact O-N 2.92Å |
| 172 | F | 89.6 | Confident | 68.4 | Low | 59 Ų | 59 | 89 Ų | 89 | 26% | 0.259 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 126.8 | 173.8 | -71.2 | -63.4 | 0 | 0 | 0 | 110.9 | Q91 S92 L95 E148 K151 T174 | Q91-F172 HydrophobicContact CB-CE1 4.1Å; Q91-F172 HydrophobicContact CB-CE2 4.43Å; Q91-F172 HydrophobicContact CB-CZ 4.02Å; S92-F172 WeakPolarHBondContact O-CD1 3.33Å; S92-F172 WeakPolarHBondContact O-CE1 3.3Å; S92-F172 WeakPolarHBondContact OG-CB 3.45Å; L95-F172 HydrophobicContact CD2-CD1 3.58Å; L95-F172 HydrophobicContact CD2-CE1 3.53Å; L95-F172 HydrophobicContact CD2-CZ 4.43Å; E148-F172 HydrophobicContact CG-CZ 3.99Å; K151-F172 HydrophobicContact CB-CZ 4.45Å; K151-F172 HydrophobicContact CD-CE2 3.84Å; K151-F172 HydrophobicContact CD-CZ 4.11Å; F172-T174 PolarHBondContact O-N 2.87Å |
| 173 | A | 85 | Confident | 67.2 | Low | 10 Ų | 10 | 94.9 Ų | 94.9 | 8% | 0.083 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -66 | 120.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N94 Y138 K171 P175 | N94-A173 HydrophobicContact CB-CB 3.94Å; N94-A173 VanDerWaalsContact CG-CB 3.5Å; N94-A173 WeakPolarHBondContact O-CB 3.28Å; N94-A173 PolarHBondContact O-N 3.23Å; N94-A173 WeakPolarHBondContact OD1-CB 3.28Å; Y138-A173 HydrophobicContact CD1-CB 3.98Å; Y138-A173 HydrophobicContact CE1-CB 3.97Å; K171-A173 PolarHBondContact O-N 2.92Å; A173-P175 WeakPolarHBondContact O-CD 3.29Å |
| 174 | T | 78.5 | Confident | 66 | Low | 91 Ų | 91 | 92.8 Ų | 92.8 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 118.4 | 173 | -63.2 | 0 | 0 | 0 | 0 | 108.2 | F172 R178 | F172-T174 PolarHBondContact O-N 2.87Å; T174-R178 HydrophobicContact CG2-CB 4.28Å |
| 175 | P | 68 | Low | 64.9 | Low | 69 Ų | 69 | 96.8 Ų | 96.8 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 139 | -179.7 | 25.7 | -33.8 | 0 | 0 | 0 | 109.5 | A173 Y177 R178 | A173-P175 WeakPolarHBondContact O-CD 3.29Å; P175-Y177 PolarHBondContact O-N 3.04Å; P175-Y177 VanDerWaalsContact O-N 3.11Å; P175-R178 HydrophobicContact CG-CB 4.25Å; P175-R178 PolarHBondContact O-N 2.86Å |
| 176 | P | 61.9 | Low | 63.4 | Low | 108 Ų | 108 | 94.6 Ų | 94.6 | 70% | 0.701 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -58.1 | -34.6 | -170.1 | 20.7 | -32.7 | 0 | 0 | 0 | 112.6 | R178 Q179 | P176-R178 PolarHBondContact O-N 2.9Å; P176-R178 VanDerWaalsContact O-N 3.13Å; P176-Q179 WeakPolarHBondContact O-CB 3.49Å; P176-Q179 WeakPolarHBondContact O-CG 3.4Å; P176-Q179 PolarHBondContact O-N 3.1Å |
| 177 | Y | 53.6 | Low | 61.8 | Low | 131 Ų | 131 | 102.9 Ų | 102.9 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -62.6 | -17.3 | 176.3 | -173.7 | -125.9 | 0 | 0 | 0 | 114.7 | F48 P175 Q179 | F48-Y177 HydrophobicContact CE1-CD2 4.03Å; F48-Y177 AromaticContact CE2-CD2 3.71Å; F48-Y177 HydrophobicContact CE2-CD2 3.71Å; F48-Y177 AromaticContact CE2-CE2 3.47Å; F48-Y177 HydrophobicContact CE2-CE2 3.47Å; F48-Y177 VanDerWaalsContact CE2-CE2 3.47Å; F48-Y177 AromaticContact CZ-CD2 3.29Å; F48-Y177 HydrophobicContact CZ-CD2 3.29Å; F48-Y177 AromaticContact CZ-CE2 3.39Å; F48-Y177 HydrophobicContact CZ-CE2 3.39Å; F48-Y177 HydrophobicContact CZ-CG 4.26Å; P175-Y177 PolarHBondContact O-N 3.04Å; P175-Y177 VanDerWaalsContact O-N 3.11Å; Y177-Q179 VanDerWaalsContact C-N 3.29Å; Y177-Q179 PolarHBondContact O-N 3.25Å |
| 178 | R | 50.2 | Low | 59.6 | Low | 184 Ų | 184 | 104 Ų | 104 | 69% | 0.694 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -86.7 | 9.5 | 172.6 | -151.3 | -169.1 | -81.9 | 177.5 | -2.8 | 113.3 | T174 P175 P176 S180 | T174-R178 HydrophobicContact CG2-CB 4.28Å; P175-R178 HydrophobicContact CG-CB 4.25Å; P175-R178 PolarHBondContact O-N 2.86Å; P176-R178 PolarHBondContact O-N 2.9Å; P176-R178 VanDerWaalsContact O-N 3.13Å; R178-S180 PolarHBondContact O-N 2.97Å |
| 179 | Q | 45.2 | Very low | 57.3 | Low | 155 Ų | 155 | 110.7 Ų | 110.7 | 72% | 0.724 | 58% | 0.575 | S | S | * | * | trans | -75.7 | 41.6 | 166.1 | -63.5 | -170.4 | 8.1 | 0 | 0 | 112.3 | P176 Y177 V181 | P176-Q179 WeakPolarHBondContact O-CB 3.49Å; P176-Q179 WeakPolarHBondContact O-CG 3.4Å; P176-Q179 PolarHBondContact O-N 3.1Å; Y177-Q179 VanDerWaalsContact C-N 3.29Å; Y177-Q179 PolarHBondContact O-N 3.25Å; Q179-V181 PolarHBondContact O-N 3.42Å | ||
| 180 | S | 42.8 | Very low | 55 | Low | 89 Ų | 89 | 119 Ų | 119 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | trans | -73.1 | 98.8 | 177.7 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | R178 S182 | R178-S180 PolarHBondContact O-N 2.97Å; S180-S182 PolarHBondContact O-N 3.29Å | ||
| 181 | V | 44.6 | Very low | 52.3 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 72% | 0.721 | 65% | 0.651 | S | S | * | * | trans | 60.4 | 49.6 | 158.6 | -158.1 | 0 | 0 | 0 | 0 | 114.8 | Q179 L183 | Q179-V181 PolarHBondContact O-N 3.42Å; V181-L183 HydrophobicContact CG1-CB 4.03Å; V181-L183 HydrophobicContact CG1-CD1 4.1Å; V181-L183 PolarHBondContact O-N 2.81Å | ||
| 182 | S | 36 | Very low | 49.8 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | trans | -79.1 | 46.9 | 159.2 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | S180 T184 | S180-S182 PolarHBondContact O-N 3.29Å; S182-T184 PolarHBondContact O-N 3.35Å | ||
| 183 | L | 42.7 | Very low | 47.3 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 80% | 0.801 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 35.8 | -173.6 | -115.6 | 152.7 | 0 | 0 | 0 | 113 | V181 | V181-L183 HydrophobicContact CG1-CB 4.03Å; V181-L183 HydrophobicContact CG1-CD1 4.1Å; V181-L183 PolarHBondContact O-N 2.81Å |
| 184 | T | 39 | Very low | 44.9 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 64% | 0.644 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.6 | 34.9 | 177.2 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | S182 | S182-T184 PolarHBondContact O-N 3.35Š|
| 185 | K | 41.6 | Very low | 43 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -154.4 | 142.5 | 162.3 | -107.7 | 164.5 | -173.3 | -174.5 | 0 | 110.3 | ||
| 186 | S | 37.8 | Very low | 41.6 | Very low | 106 Ų | 106 | 155 Ų | 155 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 63.6 | 66.8 | -179.3 | -152.6 | 0 | 0 | 0 | 0 | 117.5 | ||
| 187 | R | 38.2 | Very low | 40.5 | Very low | 246 Ų | 246 | 157.5 Ų | 157.5 | 93% | 0.928 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -142.9 | 46.8 | 142.4 | -156.3 | 174.8 | -178.8 | 163.5 | 1.9 | 112.1 | ||
| 188 | N | 36.5 | Very low | 40 | Very low | 146 Ų | 146 | 159.9 Ų | 159.9 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -141.1 | 32.1 | 175.9 | -110.8 | -4 | 0 | 0 | 0 | 113.3 | ||||
| 189 | N | 38.8 | Very low | 39.3 | Very low | 144 Ų | 144 | 157.8 Ų | 157.8 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -97.5 | 0.1 | 169.1 | -77.9 | 13.3 | 0 | 0 | 0 | 113.3 | ||
| 190 | F | 42 | Very low | 39.2 | Very low | 191 Ų | 191 | 158.3 Ų | 158.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -101.2 | 29.9 | 178.9 | -98.1 | -80 | 0 | 0 | 0 | 113.6 | ||
| 191 | R | 36.3 | Very low | 38.9 | Very low | 228 Ų | 228 | 164.3 Ų | 164.3 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -144.1 | 72 | 163.6 | -74.4 | -160.2 | 178.2 | -156.5 | -0.5 | 111.8 | ||||
| 192 | R | 38.4 | Very low | 38.7 | Very low | 232 Ų | 232 | 165.8 Ų | 165.8 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | -87 | 124 | 139.3 | -76.4 | -169.4 | 175.9 | -152.8 | -0.4 | 106.4 | F194 | R192-F194 PolarHBondContact O-N 2.89Š| ||
| 193 | P | 36.7 | Very low | 38.8 | Very low | 120 Ų | 120 | 164.7 Ų | 164.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -71.1 | 118.1 | 179 | 28.1 | -32.2 | 0 | 0 | 0 | 109.5 | L195 | P193-L195 PolarHBondContact O-N 3.39Å; P193-L195 VanDerWaalsContact O-N 3.11Å | ||
| 194 | F | 34.8 | Very low | 38.8 | Very low | 200 Ų | 200 | 165.7 Ų | 165.7 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -71.7 | 100.6 | 161.2 | -107.9 | -87.8 | 0 | 0 | 0 | 107.7 | R192 H196 | R192-F194 PolarHBondContact O-N 2.89Å; F194-H196 PolarHBondContact O-N 2.96Å | ||
| 195 | L | 38.2 | Very low | 38.8 | Very low | 164 Ų | 164 | 168 Ų | 168 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -72.4 | 82.8 | 168.6 | -118 | 169.4 | 0 | 0 | 0 | 107.8 | P193 | P193-L195 PolarHBondContact O-N 3.39Å; P193-L195 VanDerWaalsContact O-N 3.11Å | ||
| 196 | H | 39.2 | Very low | 38.7 | Very low | 155 Ų | 155 | 164.5 Ų | 164.5 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | trans | -89.3 | 110.9 | 170 | -156.2 | 75.5 | 0 | 0 | 0 | 109.1 | F194 Q198 | F194-H196 PolarHBondContact O-N 2.96Å; H196-Q198 PolarHBondContact O-N 3.06Å | ||
| 197 | Q | 37.8 | Very low | 39 | Very low | 162 Ų | 162 | 164.1 Ų | 164.1 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | -80.4 | 107.9 | -171.8 | -176.8 | -179.5 | 17.7 | 0 | 0 | 110.3 | ||||
| 198 | Q | 42.3 | Very low | 39.1 | Very low | 180 Ų | 180 | 160.9 Ų | 160.9 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -100.8 | 133.2 | 162.2 | -77.1 | -162.9 | -14 | 0 | 0 | 110.8 | H196 | H196-Q198 PolarHBondContact O-N 3.06Š| ||
| 199 | N | 35.4 | Very low | 39.1 | Very low | 141 Ų | 141 | 160.8 Ų | 160.8 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -73.8 | 131.1 | -177.1 | -87.7 | -79.1 | 0 | 0 | 0 | 111.8 | ||||
| 200 | L | 44.1 | Very low | 39.3 | Very low | 166 Ų | 166 | 158.7 Ų | 158.7 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -147.9 | 93 | 149.6 | -103.8 | 132.8 | 0 | 0 | 0 | 111.1 | ||||
| 201 | R | 37.3 | Very low | 39.4 | Very low | 215 Ų | 215 | 154.5 Ų | 154.5 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | 34.8 | 102.5 | 135.3 | -82.2 | -177.9 | 171.2 | 175.2 | -3.3 | 117.8 | ||||
| 202 | N | 38.6 | Very low | 39.7 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | 158.4 | 128 | 92.4 | -84.4 | -17.5 | 0 | 0 | 0 | 113.3 | |||||
| 203 | G | 39.5 | Very low | 39.8 | Very low | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 73.2 | 160 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 204 | Q | 42.7 | Very low | 40.1 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -163.5 | 146.4 | -17.9 | -142 | 177.3 | 14.5 | 0 | 0 | 109.1 | ||||
| 205 | L | 38.2 | Very low | 40.6 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 67.3 | 155.4 | 170.6 | -47.6 | 170.1 | 0 | 0 | 0 | 115.4 | ||||
| 206 | S | 39.8 | Very low | 40.7 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | cis | -166.4 | 176.4 | -26.5 | -97.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 207 | A | 44 | Very low | 41 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 71.9 | 107 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 208 | H | 40.2 | Very low | 41.3 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | cis | 89.3 | 95.6 | 27.5 | -163.4 | -90.9 | 0 | 0 | 0 | 114.9 | ||||
| 209 | L | 37.3 | Very low | 41.2 | Very low | 144 Ų | 144 | 139 Ų | 139 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | -168 | 147.6 | 129.5 | -125.5 | 78.4 | 0 | 0 | 0 | 112.3 | |||||
| 210 | S | 42.8 | Very low | 41.4 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | 16.1 | 142 | 151.1 | 50.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 211 | S | 43.7 | Very low | 41.1 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | cis | -167.2 | 150.7 | 9.9 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 212 | Q | 42.6 | Very low | 41.5 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 32.9 | 141.4 | 133.9 | -56.9 | -177.8 | 17.8 | 0 | 0 | 121.4 | ||||
| 213 | S | 41.2 | Very low | 41.7 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | cis | -173.6 | 140.6 | -4.8 | 49.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 214 | K | 42.1 | Very low | 41.6 | Very low | 205 Ų | 205 | 133.5 Ų | 133.5 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | trans | 70 | 157.7 | 145.1 | -76.2 | -164 | 171.2 | -174.9 | 0 | 122.7 | ||||
| 215 | P | 45.9 | Very low | 41.2 | Very low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | -143.7 | -144.8 | -149.2 | 45.8 | -23.2 | 0 | 0 | 0 | 115.8 | ||||
| 216 | S | 40.5 | Very low | 41.2 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 73.6 | 146.7 | 174.8 | 33.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 217 | V | 45.4 | Very low | 40.9 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | cis | -132.7 | 160.4 | 34.5 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 218 | P | 43.4 | Very low | 40.5 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | trans | -120.2 | -160.7 | -167 | 45 | -33 | 0 | 0 | 0 | 116.9 | ||||
| 219 | E | 40.3 | Very low | 40.2 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 81.3 | 146.3 | 165.9 | -99.4 | 176.6 | 109.8 | 0 | 0 | 117.7 | ||||
| 220 | V | 39.9 | Very low | 39.9 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | -145.4 | 137.1 | 19.5 | 165.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 221 | Y | 38.7 | Very low | 39.8 | Very low | 199 Ų | 199 | 139.3 Ų | 139.3 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 35.9 | 156.1 | 148.5 | -75.5 | -122.4 | 0 | 0 | 0 | 123.9 | ||||
| 222 | T | 44.7 | Very low | 39.5 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | cis | -173.5 | -172.8 | -20.2 | 36.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 223 | P | 42.8 | Very low | 39.3 | Very low | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | -135.5 | 172.1 | -63.5 | 41.4 | -24.4 | 0 | 0 | 0 | 116.6 | |||||
| 224 | S | 37.8 | Very low | 39 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 49.3 | 122.9 | 146.9 | 59.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 225 | C | 33.6 | Very low | 38.8 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | -160.8 | 164.5 | 74.7 | -106.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 226 | P | 39.1 | Very low | 38.3 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -113.6 | 173.6 | -159.4 | 41.5 | -33 | 0 | 0 | 0 | 117.3 | ||||
| 227 | Q | 32.5 | Very low | 38.1 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -90.9 | 162.3 | 176.2 | -71.1 | -165.2 | -20.4 | 0 | 0 | 114.8 | ||||
| 228 | L | 35.9 | Very low | 37.6 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -104 | 137.8 | 172.4 | -82.1 | 167.4 | 0 | 0 | 0 | 112.7 | ||||
| 229 | P | 34.5 | Very low | 37.1 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -96.1 | -179.2 | 174.8 | 37.7 | -34.8 | 0 | 0 | 0 | 114.5 | ||||
| 230 | Y | 30.2 | Very low | 36.8 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | -103.5 | 134.6 | -159.4 | 174.5 | -86.8 | 0 | 0 | 0 | 114.7 | P232 | Y230-P232 HydrophobicContact CE1-CG 3.74Š| ||
| 231 | I | 41.7 | Very low | 36.7 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -144.9 | 127.6 | 164.5 | -47.4 | 175.7 | 0 | 0 | 0 | 110.7 | ||||
| 232 | P | 36.8 | Very low | 36.4 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 55% | 0.552 | 77% | 0.773 | S | S | * | * | trans | -110.9 | 146.1 | 168.4 | 37.4 | -27.8 | 0 | 0 | 0 | 112.7 | Y230 | Y230-P232 HydrophobicContact CE1-CG 3.74Š| ||
| 233 | N | 38.6 | Very low | 36 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -137.5 | 149.5 | 171.5 | -90 | -30.8 | 0 | 0 | 0 | 112.2 | ||||
| 234 | N | 34.1 | Very low | 35.6 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -129.2 | 176.5 | 168.9 | -76.6 | -34.3 | 0 | 0 | 0 | 108.2 | ||||
| 235 | L | 38.8 | Very low | 35.4 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | 85.1 | 140.4 | -168.5 | -52.9 | 161 | 0 | 0 | 0 | 111.5 | ||||
| 236 | C | 34.5 | Very low | 35.5 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 69% | 0.689 | 78% | 0.782 | S | S | * | * | cis | -143.4 | 153.6 | -2.2 | -106.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 237 | T | 36.5 | Very low | 35.2 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | 92.5 | 135.3 | 52.3 | -53 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 238 | A | 34.4 | Very low | 35.5 | Very low | 83 Ų | 83 | 135 Ų | 135 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | trans | 76.9 | 131.1 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 239 | L | 33.8 | Very low | 35.5 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | cis | 74.9 | 139.1 | 50 | -63 | 170.8 | 0 | 0 | 0 | 112 | ||||
| 240 | A | 34 | Very low | 35.6 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | cis | -156.9 | -169.7 | 9.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 241 | H | 37 | Very low | 36.2 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | cis | -169.6 | 153 | -10.1 | -128.2 | -168.2 | 0 | 0 | 0 | 110.9 | ||||
| 242 | S | 32.6 | Very low | 35.8 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 66.3 | 163.3 | 163 | -129.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 243 | V | 37.5 | Very low | 35.9 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | cis | -138.6 | 137.8 | 20.7 | 175 | 0 | 0 | 0 | 0 | 114 | ||||
| 244 | Q | 33 | Very low | 35.8 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 8.7 | 137.8 | 155 | -54.8 | 167.5 | -85.1 | 0 | 0 | 123.7 | ||||
| 245 | G | 33.4 | Very low | 35.9 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 111.5 | 148 | 147.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 246 | S | 35.7 | Very low | 35.9 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | cis | -164.2 | 136.3 | -16.4 | -165.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 247 | L | 34 | Very low | 35.8 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | 62 | 160.8 | 159.2 | -70.5 | 166.2 | 0 | 0 | 0 | 121.3 | ||||
| 248 | L | 38.5 | Very low | 36 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | 70.8 | 150.6 | 168.5 | -45.9 | -177.2 | 0 | 0 | 0 | 118.5 | ||||
| 249 | Q | 36.3 | Very low | 36.1 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -159.1 | 146.3 | -43.7 | -164.4 | 156.4 | -11.6 | 0 | 0 | 108.5 | ||||
| 250 | S | 35.7 | Very low | 36.4 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -105.3 | 144.9 | -178.5 | 55 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 251 | P | 43 | Very low | 36.5 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | -125.9 | 142.9 | 125.9 | 8 | 13.7 | 0 | 0 | 0 | 110.6 | |||||
| 252 | V | 34.1 | Very low | 36.4 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | 64.3 | 107.4 | 63.6 | -177.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 253 | I | 38.9 | Very low | 36.5 | Very low | 172 Ų | 172 | 141 Ų | 141 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -132.9 | 136.6 | 159.4 | -65.8 | -179.4 | 0 | 0 | 0 | 107.2 | ||||
| 254 | Q | 35.8 | Very low | 36.1 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 158 | -178 | -74.5 | -178.9 | -43.7 | 0 | 0 | 112.3 | ||
| 255 | P | 36.2 | Very low | 36.2 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 151.7 | 173.3 | 33.4 | -35.2 | 0 | 0 | 0 | 112.3 | ||
| 256 | Q | 38.6 | Very low | 36.2 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 138.9 | 169.5 | -88.8 | -78.1 | -44.1 | 0 | 0 | 110.5 | ||
| 257 | L | 33.9 | Very low | 36.4 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 159.7 | 168.2 | -72.7 | 89.2 | 0 | 0 | 0 | 110 | ||
| 258 | N | 39.1 | Very low | 36.4 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -138.2 | 126.5 | 158.9 | -160.4 | 28.8 | 0 | 0 | 0 | 109.9 | ||||
| 259 | P | 37.1 | Very low | 36.5 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | trans | -102.5 | -166.2 | -176 | 40.4 | -36 | 0 | 0 | 0 | 113.4 | ||||
| 260 | Q | 40.1 | Very low | 36.2 | Very low | 198 Ų | 198 | 148.1 Ų | 148.1 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | 74 | 142.1 | -170.5 | -45.9 | -177.4 | 14.7 | 0 | 0 | 111.9 | ||||
| 261 | G | 35.3 | Very low | 36.5 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | cis | 143.6 | 139.9 | 12.1 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 262 | L | 36.5 | Very low | 36 | Very low | 166 Ų | 166 | 152.8 Ų | 152.8 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | cis | -158.5 | 168.3 | 26.9 | -85.9 | 154.7 | 0 | 0 | 0 | 111.2 | ||||
| 263 | L | 34.6 | Very low | 36 | Very low | 161 Ų | 161 | 157 Ų | 157 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | 68.3 | 143.7 | 154.8 | -112.1 | 67.2 | 0 | 0 | 0 | 121.8 | ||||
| 264 | W | 27.6 | Very low | 35.8 | Very low | 245 Ų | 245 | 158.1 Ų | 158.1 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | trans | -119.4 | 152.9 | 173.1 | -69.9 | -64.1 | 0 | 0 | 0 | 111.7 | ||||
| 265 | S | 35.6 | Very low | 35.6 | Very low | 109 Ų | 109 | 157.2 Ų | 157.2 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -164.8 | 129.2 | 140.8 | -74.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 266 | N | 32.9 | Very low | 36.1 | Very low | 135 Ų | 135 | 156.6 Ų | 156.6 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | 57.9 | 132.8 | 75.5 | -65.9 | -0.2 | 0 | 0 | 0 | 111.3 | |||||
| 267 | D | 40.8 | Very low | 36 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | cis | -132.2 | 173 | 36.5 | -70.6 | -59.9 | 0 | 0 | 0 | 117.3 | ||||
| 268 | Y | 33.8 | Very low | 36 | Very low | 206 Ų | 206 | 150.2 Ų | 150.2 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -100.8 | 150.7 | 171.2 | -94.8 | -101.4 | 0 | 0 | 0 | 111.9 | ||||
| 269 | P | 40 | Very low | 35.9 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -103.1 | 132.4 | 153.6 | 34.4 | -26.2 | 0 | 0 | 0 | 111.8 | ||||
| 270 | N | 31.5 | Very low | 35.8 | Very low | 142 Ų | 142 | 150 Ų | 150 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | -149.2 | 109 | 173.1 | -97.2 | -26.9 | 0 | 0 | 0 | 111.1 | ||||
| 271 | T | 42 | Very low | 35.5 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -167 | 113.4 | 157.5 | 22.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 272 | E | 32.1 | Very low | 35.3 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | cis | 94 | 114.6 | 49.7 | -169.2 | 160 | -169.8 | 0 | 0 | 113.1 | ||||
| 273 | Y | 33.3 | Very low | 35.2 | Very low | 211 Ų | 211 | 149 Ų | 149 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | 5.8 | 122.9 | 169.4 | -75.3 | -96.7 | 0 | 0 | 0 | 121.2 | ||||
| 274 | Q | 34.3 | Very low | 35.2 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | -162.4 | 168.6 | 108.4 | -107.6 | -179.4 | 12 | 0 | 0 | 113 | |||||
| 275 | N | 32.5 | Very low | 35.7 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -164.5 | 167.5 | -165.5 | -172.1 | 53.2 | 0 | 0 | 0 | 109.1 | ||||
| 276 | P | 46.2 | Very low | 35.8 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | -110.6 | 177.7 | -51 | 36.2 | -23.9 | 0 | 0 | 0 | 112.4 | |||||
| 277 | A | 36.3 | Very low | 36 | Very low | 91 Ų | 91 | 144.8 Ų | 144.8 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | 172.3 | 150.5 | 128.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 278 | S | 34.3 | Very low | 35.8 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 27.4 | 125.1 | 147.8 | -50.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 279 | A | 36.5 | Very low | 36.4 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 180 | 141.5 | 52.7 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 280 | L | 34.7 | Very low | 36.3 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | 53.1 | 156.4 | 137.8 | -58.1 | 177.4 | 0 | 0 | 0 | 124 | ||||
| 281 | N | 34 | Very low | 36.5 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | 65.2 | 120.6 | 177.5 | -63.9 | -10.8 | 0 | 0 | 0 | 116.1 | ||||
| 282 | V | 32.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 149 Ų | 149 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | cis | 74.1 | 104.2 | 38.9 | -174 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 283 | T | 34 | Very low | 36.2 | Very low | 141 Ų | 141 | 144 Ų | 144 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | -172 | 157.7 | 129.2 | -76.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 284 | S | 34.8 | Very low | 36.2 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -100.1 | 156.5 | -175.7 | -173.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 285 | G | 38 | Very low | 36.2 | Very low | 65 Ų | 65 | 139.3 Ų | 139.3 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | 161.1 | 93.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 286 | Y | 36 | Very low | 36.2 | Very low | 217 Ų | 217 | 136.5 Ų | 136.5 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | 83.3 | 147 | 81.3 | -118 | -88.8 | 0 | 0 | 0 | 116.2 | |||||
| 287 | L | 38.6 | Very low | 35.9 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | 80.5 | 155.4 | 174.7 | -56.7 | 176 | 0 | 0 | 0 | 117.5 | ||||
| 288 | A | 36.3 | Very low | 35.9 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | -141 | -125.5 | -158.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 289 | P | 45.3 | Very low | 35.8 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | -114.7 | 162.1 | -104.5 | 35.9 | -23.8 | 0 | 0 | 0 | 114.7 | |||||
| 290 | Y | 39.6 | Very low | 35.8 | Very low | 235 Ų | 235 | 148 Ų | 148 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | trans | -132.5 | 144.8 | 166.1 | -84.4 | -78.9 | 0 | 0 | 0 | 113.9 | ||||
| 291 | F | 34.3 | Very low | 35.5 | Very low | 188 Ų | 188 | 151.1 Ų | 151.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -79.6 | 156.1 | -177.6 | -91.8 | -123.4 | 0 | 0 | 0 | 113 | ||||
| 292 | Y | 33.9 | Very low | 35.4 | Very low | 227 Ų | 227 | 152.1 Ų | 152.1 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | -150.1 | 174.4 | 117.6 | -132.6 | -98.6 | 0 | 0 | 0 | 111.9 | |||||
| 293 | S | 34.9 | Very low | 35.5 | Very low | 72 Ų | 72 | 151.4 Ų | 151.4 | 50% | 0.503 | 78% | 0.781 | S | S | . | * | trans | -121.3 | 147.8 | -141.4 | 63 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 294 | Q | 32.1 | Very low | 35.6 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | trans | 44 | 127.6 | 130.1 | -66.2 | -88.7 | 25.3 | 0 | 0 | 121 | ||||
| 295 | Q | 34.1 | Very low | 35.4 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | -160.7 | 120.2 | 124.9 | -97.6 | -50.3 | -36.3 | 0 | 0 | 110.6 | |||||
| 296 | P | 34.1 | Very low | 35.1 | Very low | 87 Ų | 87 | 160.8 Ų | 160.8 | 57% | 0.565 | 79% | 0.79 | S | S | * | * | trans | -106.8 | 155.2 | 173 | 37.8 | -30.4 | 0 | 0 | 0 | 113 | ||||
| 297 | Y | 38.4 | Very low | 34.9 | Very low | 213 Ų | 213 | 156.2 Ų | 156.2 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -128.5 | 147.5 | 168.1 | -81.6 | -77.3 | 0 | 0 | 0 | 112.3 | ||||
| 298 | P | 37.5 | Very low | 34.5 | Very low | 108 Ų | 108 | 159.9 Ų | 159.9 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -100.1 | 171.5 | -160.6 | 39.6 | -37.7 | 0 | 0 | 0 | 115 | ||||
| 299 | N | 31.4 | Very low | 34.2 | Very low | 158 Ų | 158 | 161.2 Ų | 161.2 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -65.2 | 141.8 | 162.8 | -65.9 | -69.7 | 0 | 0 | 0 | 111.2 | ||||
| 300 | L | 36.5 | Very low | 33.6 | Very low | 167 Ų | 167 | 161.8 Ų | 161.8 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -144 | 124 | 160.7 | -111.7 | 167.1 | 0 | 0 | 0 | 110 | ||||
| 301 | W | 28.8 | Very low | 33.3 | Very low | 232 Ų | 232 | 158.3 Ų | 158.3 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -84.5 | 147.1 | 167.4 | -75.6 | 30.6 | 0 | 0 | 0 | 109.5 | ||||
| 302 | L | 33 | Very low | 33.2 | Very low | 168 Ų | 168 | 156.8 Ų | 156.8 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | trans | -165.9 | 143.4 | 135 | -128.3 | 68 | 0 | 0 | 0 | 110 | ||||
| 303 | P | 34.2 | Very low | 33.2 | Very low | 113 Ų | 113 | 151 Ų | 151 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -94.2 | 160.4 | 174.1 | 37.1 | -33.6 | 0 | 0 | 0 | 111.8 | ||||
| 304 | L | 35.7 | Very low | 32.8 | Very low | 170 Ų | 170 | 154.7 Ų | 154.7 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -150.7 | 128.8 | 163.6 | -111.3 | 159.2 | 0 | 0 | 0 | 111.1 | ||||
| 305 | Q | 30.2 | Very low | 32.6 | Very low | 175 Ų | 175 | 153.4 Ų | 153.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -99.5 | 145.2 | 169.8 | -62.4 | 171.9 | -42.8 | 0 | 0 | 109.3 | ||||
| 306 | Q | 32.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -175.5 | 113.7 | 133.5 | -99.6 | 150.6 | 14.6 | 0 | 0 | 108.6 | ||||
| 307 | N | 31.1 | Very low | 32.2 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | 69.6 | 104.2 | 93.7 | -77.1 | -13.5 | 0 | 0 | 0 | 113.9 | |||||
| 308 | Y | 31.6 | Very low | 31.7 | Very low | 242 Ų | 242 | 148 Ų | 148 | 95% | 0.949 | 76% | 0.763 | S | S | * | * | -134.5 | 143 | 126.2 | -119.3 | -86 | 0 | 0 | 0 | 109.2 | |||||
| 309 | I | 30.1 | Very low | 31.5 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | trans | -121.9 | 137.7 | -167.7 | -59.9 | 168 | 0 | 0 | 0 | 108.3 | ||||
| 310 | N | 32.8 | Very low | 31.6 | Very low | 125 Ų | 125 | 146 Ų | 146 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | 169 | 129.8 | 129.3 | -89 | -51.3 | 0 | 0 | 0 | 113.4 | |||||
| 311 | Q | 31.7 | Very low | 31.4 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | 48.7 | 119.7 | 133.5 | -55.5 | 176.8 | 61 | 0 | 0 | 118.9 | ||||
| 312 | I | 32.4 | Very low | 31.6 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | cis | 63.6 | 132.3 | 42.2 | -54.3 | 176 | 0 | 0 | 0 | 111.3 | ||||
| 313 | P | 34.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | cis | -130.2 | -174.4 | 16.8 | 25.9 | -0.5 | 0 | 0 | 0 | 116.7 | ||||
| 314 | L | 26.9 | Very low | 31.4 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | 11.4 | 150.2 | 137.4 | -52.9 | 163.2 | 0 | 0 | 0 | 118.5 | ||||
| 315 | N | 28.4 | Very low | 31.3 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | cis | -171.2 | 161.7 | 40 | -149 | 12.9 | 0 | 0 | 0 | 115.6 | ||||
| 316 | T | 29.1 | Very low | 31.7 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 59% | 0.589 | 71% | 0.707 | S | S | * | * | trans | 49.1 | 129.5 | 146.1 | 45.5 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 317 | L | 30.5 | Very low | 31.8 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | 69.8 | 162.9 | 132.5 | -62.6 | 169.3 | 0 | 0 | 0 | 119.3 | T319 | L317-T319 HydrophobicContact CD2-CG2 3.91Š| ||
| 318 | C | 28.2 | Very low | 31.9 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | cis | -131.2 | 141.4 | 4.6 | -99.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 319 | T | 31.3 | Very low | 32.1 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 56% | 0.564 | 71% | 0.713 | S | S | * | * | 79.7 | 161.8 | 67.4 | 80.8 | 0 | 0 | 0 | 0 | 117 | L317 | L317-T319 HydrophobicContact CD2-CG2 3.91Š| |||
| 320 | N | 34.2 | Very low | 32.4 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | 87.3 | 139.3 | 159.4 | -61.4 | -0.2 | 0 | 0 | 0 | 118.4 | ||||
| 321 | Q | 32 | Very low | 32.4 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | cis | -165.2 | -164.2 | -14.5 | -137 | 168.9 | -53.8 | 0 | 0 | 112.8 | E323 | Q321-E323 PolarHBondContact NE2-OE1 3.13Š| ||
| 322 | L | 34.6 | Very low | 32.4 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | 81.5 | 104.2 | 172.5 | -60.4 | 129.4 | 0 | 0 | 0 | 115.3 | ||||
| 323 | E | 33.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 127 Ų | 127 | 58% | 0.584 | 73% | 0.732 | S | S | * | * | 82.7 | 121.5 | 53.1 | -64.5 | 154.3 | -151.9 | 0 | 0 | 112.5 | Q321 | Q321-E323 PolarHBondContact NE2-OE1 3.13Š| |||
| 324 | S | 29.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | cis | 97.8 | 69.3 | 22.5 | -170.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 325 | Y | 33.7 | Very low | 32.8 | Very low | 233 Ų | 233 | 129.3 Ų | 129.3 | 91% | 0.914 | 74% | 0.736 | S | S | * | * | trans | -151 | 148.1 | 153.1 | -71.4 | -76.5 | 0 | 0 | 0 | 108.6 | ||||
| 326 | G | 36.7 | Very low | 33.1 | Very low | 57 Ų | 57 | 128.8 Ų | 128.8 | 59% | 0.588 | 74% | 0.738 | S | S | * | * | cis | 171.9 | 161.8 | -8.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 327 | N | 35.9 | Very low | 33.1 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | 64.4 | 126.9 | 166.9 | -47.9 | -33 | 0 | 0 | 0 | 117.3 | ||||
| 328 | S | 32.4 | Very low | 33.4 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | cis | 84 | 98.5 | 29.7 | -161 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 329 | V | 36.1 | Very low | 33.5 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | trans | -144 | 151 | 160.1 | -179 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 330 | Q | 37.2 | Very low | 33.2 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | trans | -107.8 | 164 | -167.4 | -59.6 | 166.5 | -66.9 | 0 | 0 | 114.1 | ||||
| 331 | G | 32.1 | Very low | 33.2 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 94.5 | 147 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 332 | C | 32.1 | Very low | 33 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | cis | -145.9 | 155.3 | -7.1 | -78.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 333 | P | 32.4 | Very low | 32.8 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -75.7 | 134.5 | 173.4 | 31.7 | -33.3 | 0 | 0 | 0 | 111 | ||||
| 334 | I | 36.1 | Very low | 32.8 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -117.1 | 117 | 168.2 | -66.2 | 179.3 | 0 | 0 | 0 | 108.5 | T336 | I334-T336 HydrophobicContact CG2-CG2 3.97Š| ||
| 335 | I | 32.9 | Very low | 32.8 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -91.3 | 112.8 | 168.5 | -59.4 | 173.2 | 0 | 0 | 0 | 107.2 | N337 | I335-N337 HydrophobicContact CG2-CB 4.49Š| ||
| 336 | T | 34.8 | Very low | 33 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -113.7 | 84.3 | 163.8 | 45.9 | 0 | 0 | 0 | 0 | 109.4 | I334 | I334-T336 HydrophobicContact CG2-CG2 3.97Š| ||
| 337 | N | 29 | Very low | 32.6 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -71.8 | 122.3 | 165.1 | -174 | 29.6 | 0 | 0 | 0 | 108.2 | I335 | I335-N337 HydrophobicContact CG2-CB 4.49Š| ||
| 338 | V | 36.7 | Very low | 32.5 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | trans | -132.6 | 112.6 | 175.9 | -163.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 339 | Q | 29.4 | Very low | 32.5 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 67% | 0.673 | 78% | 0.782 | S | S | * | * | trans | -93.2 | 163.4 | 177.8 | -61.3 | -179.6 | -71.6 | 0 | 0 | 111.3 | ||||
| 340 | N | 26.5 | Very low | 32.4 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 50.2 | 110.6 | 149.7 | -62.2 | -5.8 | 0 | 0 | 0 | 120.4 | ||||
| 341 | T | 33.6 | Very low | 32.2 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | -175 | 114.2 | 120.4 | 38.9 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 342 | F | 28 | Very low | 32.2 | Very low | 169 Ų | 169 | 144 Ų | 144 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | cis | 71.4 | 136.2 | 41.2 | -125.7 | -74.3 | 0 | 0 | 0 | 114.1 | ||||
| 343 | Y | 30.8 | Very low | 32.5 | Very low | 199 Ų | 199 | 146.7 Ų | 146.7 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | 78 | 157.3 | 179.1 | -57.3 | -73.1 | 0 | 0 | 0 | 118.3 | ||||
| 344 | P | 33.3 | Very low | 32.6 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -118.3 | 147 | -4.3 | 22.1 | -0.9 | 0 | 0 | 0 | 115.4 | ||||
| 345 | T | 30 | Very low | 32.3 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -80.1 | 126.4 | 159.5 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 346 | L | 37.4 | Very low | 32.5 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -72.8 | 138.4 | 163.8 | -96.3 | 91.4 | 0 | 0 | 0 | 109.8 | ||||
| 347 | S | 28.7 | Very low | 32.5 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -138.5 | 154.3 | -178.5 | 68 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 348 | Q | 32.5 | Very low | 33 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 61.8 | 105.4 | 166.5 | -55.2 | -179.5 | 21.6 | 0 | 0 | 118 | ||||
| 349 | Q | 33.5 | Very low | 32.8 | Very low | 206 Ų | 206 | 148 Ų | 148 | 96% | 0.963 | 79% | 0.786 | S | S | * | * | -138.7 | 144.7 | 113.4 | -110 | 175.4 | -1 | 0 | 0 | 109.4 | |||||
| 350 | Q | 33 | Very low | 33.3 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -110.8 | 136.2 | -172.9 | -65.1 | 172.3 | -40 | 0 | 0 | 110.9 | ||||
| 351 | S | 33.4 | Very low | 33.5 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -163 | 92.6 | 151.4 | 60.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 352 | N | 33.1 | Very low | 33.3 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 17.2 | 124 | 143.6 | -47.9 | -40.2 | 0 | 0 | 0 | 120.1 | ||||
| 353 | L | 37.5 | Very low | 33.7 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | -167.2 | 155.2 | 113.2 | -122.5 | 69.4 | 0 | 0 | 0 | 111.3 | |||||
| 354 | P | 34.7 | Very low | 33.8 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | -123.5 | 149.6 | -163.3 | 40.4 | -27.5 | 0 | 0 | 0 | 118.8 | ||||
| 355 | T | 30.2 | Very low | 33.9 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | trans | 57.9 | 116.3 | 134.7 | -50.5 | 0 | 0 | 0 | 0 | 123.4 | I357 | T355-I357 HydrophobicContact CG2-CD1 3.55Å; T355-I357 HydrophobicContact CG2-CG1 3.86Å | ||
| 356 | K | 36.7 | Very low | 34.1 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -168.1 | 118.1 | 132.5 | -102.4 | 174.2 | -178.3 | -178.1 | 0 | 106.9 | ||||
| 357 | I | 34.4 | Very low | 34 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | 72.3 | 101.5 | 54.3 | -56.2 | 174.3 | 0 | 0 | 0 | 113.7 | T355 | T355-I357 HydrophobicContact CG2-CD1 3.55Å; T355-I357 HydrophobicContact CG2-CG1 3.86Å | |||
| 358 | S | 39.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -170.8 | 134.3 | 144.3 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 359 | D | 32.1 | Very low | 34.3 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -89.9 | 158.3 | -167.7 | -52 | -96.9 | 0 | 0 | 0 | 116 | ||||
| 360 | A | 39.3 | Very low | 34.6 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -157.9 | 96.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 361 | T | 31.4 | Very low | 34.7 | Very low | 134 Ų | 134 | 148.5 Ų | 148.5 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -92.6 | 130.6 | -179.8 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 362 | C | 30.4 | Very low | 34.7 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | trans | -158 | 106.2 | 155.9 | -140.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 363 | K | 36.1 | Very low | 34.8 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | 66.8 | 144.3 | 141.6 | -65.8 | 174.1 | -173.1 | 173.9 | 0 | 121.6 | ||||
| 364 | Q | 33 | Very low | 34.9 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -94.3 | 155.6 | 176.3 | -58.3 | 156 | -34.7 | 0 | 0 | 111 | ||||
| 365 | S | 35.2 | Very low | 35.1 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -143.9 | 130.1 | 134.4 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 366 | N | 33.4 | Very low | 35.8 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -89.4 | 133.6 | 172.1 | -74.5 | -35.9 | 0 | 0 | 0 | 108.7 | ||||
| 367 | D | 34.7 | Very low | 36.1 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -141.7 | 119.5 | 157.6 | -112.8 | -42.5 | 0 | 0 | 0 | 110.3 | ||||
| 368 | F | 37.2 | Very low | 36.6 | Very low | 189 Ų | 189 | 146 Ų | 146 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -97.5 | 119.4 | 179.3 | -92.4 | -105.7 | 0 | 0 | 0 | 109.8 | ||||
| 369 | S | 31.1 | Very low | 36.9 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 168.3 | 174.6 | 132.4 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 370 | H | 40.6 | Very low | 37.6 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | 71.8 | 64.2 | 165.4 | -132.7 | 90.4 | 0 | 0 | 0 | 117.8 | G372 | H370-G372 VanDerWaalsContact C-N 3.31Å; H370-G372 PolarHBondContact O-N 2.84Å | ||
| 371 | F | 33.8 | Very low | 38.2 | Very low | 230 Ų | 230 | 147.3 Ų | 147.3 | 100% | 1.009 | 77% | 0.768 | S | S | * | * | trans | -61.8 | 83 | 165.6 | -107 | -91 | 0 | 0 | 0 | 112.6 | ||||
| 372 | G | 33.9 | Very low | 39.6 | Very low | 53 Ų | 53 | 147.4 Ų | 147.4 | 55% | 0.546 | 76% | 0.764 | S | S | . | * | trans | -80.5 | 124.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | H370 | H370-G372 VanDerWaalsContact C-N 3.31Å; H370-G372 PolarHBondContact O-N 2.84Å | ||
| 373 | R | 35.8 | Very low | 41.5 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 57% | 0.57 | 76% | 0.757 | S | S | * | * | trans | -44 | 121.9 | 177.4 | -170.6 | -170.4 | -158.3 | -169 | 9.6 | 111.1 | K375 | R373-K375 PolarHBondContact O-N 3.44Š| ||
| 374 | P | 38.8 | Very low | 43.5 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | trans | -58.8 | 134.8 | -179.6 | 22.7 | -32.6 | 0 | 0 | 0 | 110.3 | ||||
| 375 | K | 38.8 | Very low | 46.2 | Very low | 199 Ų | 199 | 132.8 Ų | 132.8 | 87% | 0.865 | 69% | 0.693 | S | S | * | * | trans | -75.5 | 141.6 | 171.5 | -64.5 | 168.1 | -174.5 | 164.4 | 0 | 107.4 | R373 T377 | R373-K375 PolarHBondContact O-N 3.44Å; K375-T377 PolarHBondContact O-N 2.89Å | ||
| 376 | S | 46.1 | Very low | 48.9 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 66% | 0.66 | S | S | * | * | trans | -54.4 | 114.2 | 172.8 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 377 | T | 41.9 | Very low | 51.8 | Low | 107 Ų | 107 | 121.6 Ų | 121.6 | 66% | 0.656 | 63% | 0.625 | S | S | * | * | trans | -59.3 | 163.5 | 158 | 42.3 | 0 | 0 | 0 | 0 | 109.1 | K375 I379 | K375-T377 PolarHBondContact O-N 2.89Å; T377-I379 VanDerWaalsContact C-N 3.3Å; T377-I379 PolarHBondContact O-N 2.65Å | ||
| 378 | K | 45.5 | Very low | 54.6 | Low | 206 Ų | 206 | 116.9 Ų | 116.9 | 90% | 0.896 | 60% | 0.596 | S | S | * | * | trans | -73.4 | 93.5 | 165.5 | -65.9 | 175.8 | -173.8 | 168.8 | 0 | 106.5 | D380 | K378-D380 PolarHBondContact O-N 3.4Š| ||
| 379 | I | 46.3 | Very low | 57.2 | Low | 65 Ų | 65 | 107.9 Ų | 107.9 | 33% | 0.333 | 56% | 0.556 | S | S | . | * | trans | -67.2 | 126.7 | 172.7 | -54 | 178.4 | 0 | 0 | 0 | 107.4 | T377 E383 T385 | T377-I379 VanDerWaalsContact C-N 3.3Å; T377-I379 PolarHBondContact O-N 2.65Å; I379-E383 VanDerWaalsContact CG2-C 3.49Å; I379-E383 HydrophobicContact CG2-CB 3.66Å; I379-E383 VanDerWaalsContact CG2-O 3.27Å; I379-E383 WeakPolarHBondContact CG2-O 3.33Å; I379-T385 HydrophobicContact CD1-CG2 4.22Å | ||
| 380 | D | 46.5 | Very low | 60.1 | Low | 133 Ų | 133 | 106.7 Ų | 106.7 | 71% | 0.711 | 53% | 0.534 | S | S | * | . | trans | -65.3 | 159.7 | 173.1 | -75.2 | -62.6 | 0 | 0 | 0 | 111.3 | K378 N382 E383 | K378-D380 PolarHBondContact O-N 3.4Å; D380-N382 PolarHBondContact O-N 3.25Å; D380-E383 PolarHBondContact O-N 3.32Å | ||
| 381 | K | 53 | Low | 62.4 | Low | 203 Ų | 203 | 100 Ų | 100 | 88% | 0.883 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -16.3 | -161 | -68 | 179.9 | -176.7 | 170.8 | 0 | 115.6 | ||
| 382 | N | 59.5 | Low | 65 | Low | 137 Ų | 137 | 89.4 Ų | 89.4 | 73% | 0.733 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -22.4 | -175.4 | -67.4 | 20.1 | 0 | 0 | 0 | 114.2 | D380 S384 F435 | D380-N382 PolarHBondContact O-N 3.25Å; N382-S384 PolarHBondContact O-N 3.16Å; N382-F435 WeakPolarHBondContact O-CE2 3.34Å |
| 383 | E | 71.4 | Confident | 67.4 | Low | 119 Ų | 119 | 87.1 Ų | 87.1 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | trans | -101.2 | 29.1 | -168.9 | -63.9 | -169.1 | 162.7 | 0 | 0 | 114.3 | I379 D380 T385 F435 | I379-E383 VanDerWaalsContact CG2-C 3.49Å; I379-E383 HydrophobicContact CG2-CB 3.66Å; I379-E383 VanDerWaalsContact CG2-O 3.27Å; I379-E383 WeakPolarHBondContact CG2-O 3.33Å; D380-E383 PolarHBondContact O-N 3.32Å; E383-T385 PolarHBondContact O-N 3.5Å; E383-F435 HydrophobicContact CB-CD2 4.23Å; E383-F435 HydrophobicContact CB-CG 4.37Å; E383-F435 WeakPolarHBondContact O-CD2 3.37Å | ||
| 384 | S | 77.4 | Confident | 69.7 | Low | 28 Ų | 28 | 86.5 Ų | 86.5 | 20% | 0.196 | 44% | 0.443 | C | S | . | . | trans | -64.4 | 105.7 | -171.2 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | N382 S386 F459 | N382-S384 PolarHBondContact O-N 3.16Å; S384-S386 PolarHBondContact O-N 2.89Å; S384-F459 WeakPolarHBondContact O-CD1 3.19Å; S384-F459 WeakPolarHBondContact O-CE1 3.35Å; S384-F459 WeakPolarHBondContact OG-CB 3.4Å; S384-F459 VanDerWaalsContact OG-CD1 3.3Å; S384-F459 WeakPolarHBondContact OG-CD1 3.35Å | ||
| 385 | T | 90 | Very high | 71.9 | Confident | 25 Ų | 25 | 82.2 Ų | 82.2 | 15% | 0.153 | 41% | 0.413 | C | S | . | . | trans | -66.8 | 1.5 | 176.8 | 70.5 | 0 | 0 | 0 | 0 | 115 | I379 E383 Y432 F435 | I379-T385 HydrophobicContact CD1-CG2 4.22Å; E383-T385 PolarHBondContact O-N 3.5Å; T385-Y432 WeakPolarHBondContact CB-O 3.31Å; T385-Y432 PolarHBondContact O-N 2.8Å; T385-Y432 PolarHBondContact OG1-O 3.17Å; T385-F435 HydrophobicContact CG2-CB 4.33Å | ||
| 386 | S | 92.1 | Very high | 74.3 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.2 | 176.7 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | S384 T431 R460 | S384-S386 PolarHBondContact O-N 2.89Å; S386-T431 PolarHBondContact OG-OG1 3.32Å; S386-R460 WeakPolarHBondContact O-CB 3.41Å; S386-R460 PolarHBondContact O-N 3.4Å |
| 387 | V | 93.5 | Very high | 76.4 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.6 | 175 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | I389 F429 V430 Y432 A438 I442 V457 S458 | V387-I389 HydrophobicContact CG1-CG1 4.2Å; V387-F429 VanDerWaalsContact O-CA 3.29Å; V387-F429 WeakPolarHBondContact O-CA 3.41Å; V387-V430 PolarHBondContact N-O 2.95Å; V387-V430 PolarHBondContact O-N 2.77Å; V387-Y432 HydrophobicContact CG2-CD2 4Å; V387-Y432 HydrophobicContact CG2-CE2 3.84Å; V387-A438 HydrophobicContact CG2-CB 3.61Å; V387-I442 HydrophobicContact CG1-CG1 4Å; V387-I442 HydrophobicContact CG2-CD1 4.13Å; V387-I442 HydrophobicContact CG2-CG1 4.19Å; V387-V457 HydrophobicContact CG1-CG1 3.34Å; V387-S458 CarbonylContact C-O 3.58Å; V387-S458 WeakPolarHBondContact CA-O 3.25Å |
| 388 | Y | 94.1 | Very high | 78.7 | Confident | 68 Ų | 68 | 73 Ų | 73 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.1 | 167.2 | 170.3 | -113.3 | 0 | 0 | 0 | 108.6 | Y390 F427 F429 V457 S458 | Y388-Y390 WeakPolarHBondContact OH-CD2 3.47Å; Y388-F427 HydrophobicContact CD2-CD2 4.38Å; Y388-F427 HydrophobicContact CE2-CB 3.65Å; Y388-F427 AromaticContact CE2-CD2 3.68Å; Y388-F427 HydrophobicContact CE2-CD2 3.68Å; Y388-F427 HydrophobicContact CE2-CE2 4.46Å; Y388-F427 AromaticContact CE2-CG 3.76Å; Y388-F427 HydrophobicContact CE2-CG 3.76Å; Y388-F429 AromaticContact CD2-CD1 3.9Å; Y388-F429 HydrophobicContact CD2-CD1 3.9Å; Y388-F429 AromaticContact CD2-CE1 3.48Å; Y388-F429 HydrophobicContact CD2-CE1 3.48Å; Y388-F429 VanDerWaalsContact CD2-CE1 3.48Å; Y388-F429 HydrophobicContact CD2-CZ 4.22Å; Y388-F429 HydrophobicContact CE2-CE1 4.24Å; Y388-F429 HydrophobicContact CG-CE1 4.32Å; Y388-V457 WeakPolarHBondContact O-CA 3.46Å; Y388-S458 PolarHBondContact N-O 3.39Å; Y388-S458 PolarHBondContact O-N 3.2Å |
| 389 | I | 91.8 | Very high | 80.8 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 118.6 | 179.1 | -51 | 167.3 | 0 | 0 | 0 | 107.3 | V387 I392 I400 F404 F427 G428 V430 L455 Q456 V457 | V387-I389 HydrophobicContact CG1-CG1 4.2Å; I389-I392 HydrophobicContact CB-CG2 4.09Å; I389-I392 HydrophobicContact CG2-CG2 3.36Å; I389-I400 HydrophobicContact CD1-CG2 3.72Å; I389-F404 HydrophobicContact CD1-CD1 4.07Å; I389-F404 HydrophobicContact CD1-CD2 4.01Å; I389-F404 HydrophobicContact CD1-CE1 3.65Å; I389-F404 HydrophobicContact CD1-CE2 3.58Å; I389-F404 HydrophobicContact CD1-CG 4.25Å; I389-F404 HydrophobicContact CD1-CZ 3.4Å; I389-F404 VanDerWaalsContact CD1-CZ 3.4Å; I389-F404 HydrophobicContact CG1-CE1 4.06Å; I389-F404 HydrophobicContact CG1-CE2 4.48Å; I389-F404 HydrophobicContact CG1-CZ 3.88Å; I389-F404 HydrophobicContact CG2-CZ 4.3Å; I389-F427 CarbonylContact O-C 3.58Å; I389-F427 WeakPolarHBondContact O-CA 3.33Å; I389-F427 VanDerWaalsContact O-CB 3.3Å; I389-F427 WeakPolarHBondContact O-CB 3.5Å; I389-G428 PolarHBondContact N-O 3.27Å; I389-G428 PolarHBondContact O-N 3.12Å; I389-V430 HydrophobicContact CD1-CB 4.34Å; I389-V430 HydrophobicContact CD1-CG2 3.5Å; I389-V430 VanDerWaalsContact CD1-CG2 3.5Å; I389-L455 HydrophobicContact CG2-CD1 4.05Å; I389-L455 HydrophobicContact CG2-CD2 4.26Å; I389-Q456 CarbonylContact C-O 3.55Å; I389-Q456 WeakPolarHBondContact CA-O 3.22Å; I389-V457 HydrophobicContact CG1-CG1 4.42Å; I389-V457 HydrophobicContact CG2-CG2 4.26Å |
| 390 | Y | 91.6 | Very high | 83 | Confident | 92 Ų | 92 | 65 Ų | 65 | 36% | 0.361 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 158.3 | 173.3 | -177.8 | -95.2 | 0 | 0 | 0 | 110.6 | Y388 N426 F427 Q456 | Y388-Y390 WeakPolarHBondContact OH-CD2 3.47Å; Y390-N426 CarbonylContact C-O 3.58Å; Y390-F427 HydrophobicContact CD2-CB 4.02Å; Y390-Q456 PolarHBondContact N-O 3.14Å; Y390-Q456 PolarHBondContact O-N 3.42Å |
| 391 | N | 89.6 | Confident | 85.2 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | trans | 70 | 26.6 | -177.9 | -150 | 23.8 | 0 | 0 | 0 | 116.6 | G393 N426 R454 | N391-G393 PolarHBondContact O-N 3.12Å; N391-N426 VanDerWaalsContact C-OD1 3.25Å; N391-N426 VanDerWaalsContact CA-OD1 3.3Å; N391-N426 WeakPolarHBondContact CA-OD1 3.3Å; N391-N426 PolarHBondContact N-O 3.1Å; N391-N426 PolarHBondContact OD1-ND2 2.75Å; N391-R454 VanDerWaalsContact CB-O 3.31Å; N391-R454 WeakPolarHBondContact CB-O 3.35Å; N391-R454 PolarHBondContact ND2-O 3.39Å | ||
| 392 | I | 87.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | trans | -67.4 | -11.2 | 179.7 | 60.8 | 166.8 | 0 | 0 | 0 | 115 | I389 N394 M395 I400 I415 N426 L455 | I389-I392 HydrophobicContact CB-CG2 4.09Å; I389-I392 HydrophobicContact CG2-CG2 3.36Å; I392-N394 PolarHBondContact O-N 3.3Å; I392-M395 WeakPolarHBondContact O-CB 3.46Å; I392-M395 WeakPolarHBondContact O-CG 3.37Å; I392-M395 PolarHBondContact O-N 3.06Å; I392-I400 HydrophobicContact CB-CD1 4.2Å; I392-I400 HydrophobicContact CD1-CD1 3.94Å; I392-I400 HydrophobicContact CG2-CD1 3.79Å; I392-I415 HydrophobicContact CD1-CB 4.48Å; I392-I415 HydrophobicContact CD1-CD1 3.94Å; I392-I415 HydrophobicContact CD1-CG1 3.9Å; I392-I415 HydrophobicContact CD1-CG2 3.79Å; I392-N426 PolarHBondContact N-OD1 3.41Å; I392-L455 HydrophobicContact CG2-CD2 4.04Å | ||
| 393 | G | 84.5 | Confident | 88.6 | Confident | 5 Ų | 5 | 54 Ų | 54 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -127.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N391 M395 N426 | N391-G393 PolarHBondContact O-N 3.12Å; G393-M395 VanDerWaalsContact C-N 3.34Å; G393-N426 WeakPolarHBondContact CA-OD1 3.28Å; G393-N426 PolarHBondContact N-OD1 2.82Å |
| 394 | N | 84.8 | Confident | 89.6 | Confident | 138 Ų | 138 | 48.3 Ų | 48.3 | 74% | 0.738 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 11.6 | -174.3 | -62.1 | 12.6 | 0 | 0 | 0 | 113.2 | I392 | I392-N394 PolarHBondContact O-N 3.3Š|
| 395 | M | 84.5 | Confident | 90.3 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | trans | -63.1 | 149.1 | -175.1 | -73.2 | -169.5 | 170.3 | 0 | 0 | 113.3 | I392 G393 Q399 I400 I415 L450 | I392-M395 WeakPolarHBondContact O-CB 3.46Å; I392-M395 WeakPolarHBondContact O-CG 3.37Å; I392-M395 PolarHBondContact O-N 3.06Å; G393-M395 VanDerWaalsContact C-N 3.34Å; M395-Q399 VanDerWaalsContact CA-OE1 3.27Å; M395-Q399 HydrophobicContact CB-CB 4.46Å; M395-I400 HydrophobicContact CB-CG1 4.37Å; M395-I415 VanDerWaalsContact O-CD1 3.31Å; M395-I415 WeakPolarHBondContact O-CD1 3.36Å; M395-L450 HydrophobicContact CE-CB 3.91Å; M395-L450 HydrophobicContact CE-CD2 3.84Å | ||
| 396 | T | 88.7 | Confident | 90.4 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | trans | -91.2 | 160.4 | 177.3 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | A398 Q399 I400 | T396-A398 PolarHBondContact O-N 3.25Å; T396-Q399 PolarHBondContact O-N 3.27Å; T396-Q399 VanDerWaalsContact O-N 3.09Å; T396-Q399 WeakPolarHBondContact OG1-CG 3.13Å; T396-Q399 PolarHBondContact OG1-N 2.76Å; T396-I400 PolarHBondContact O-N 2.91Å | ||
| 397 | E | 90.3 | Very high | 90.4 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.5 | -30.7 | 177.3 | -65.2 | 179.1 | 148.3 | 0 | 0 | 111.8 | F401 V413 S414 I415 | E397-F401 VanDerWaalsContact O-CB 3.28Å; E397-F401 WeakPolarHBondContact O-CB 3.49Å; E397-F401 PolarHBondContact O-N 3.36Å; E397-V413 HydrophobicContact CB-CG1 4.17Å; E397-V413 HydrophobicContact CG-CG1 4.4Å; E397-S414 VanDerWaalsContact OE1-CA 3.3Å; E397-S414 WeakPolarHBondContact OE1-CA 3.43Å; E397-I415 HydrophobicContact CB-CD1 4.4Å; E397-I415 HydrophobicContact CG-CB 3.96Å; E397-I415 HydrophobicContact CG-CD1 3.67Å; E397-I415 HydrophobicContact CG-CG1 3.74Å; E397-I415 PolarHBondContact OE1-N 3.26Å |
| 398 | A | 90.9 | Very high | 90.2 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T396 F401 V402 | T396-A398 PolarHBondContact O-N 3.25Å; A398-F401 PolarHBondContact O-N 2.89Å; A398-V402 WeakPolarHBondContact O-CG2 3.3Å; A398-V402 PolarHBondContact O-N 2.92Å |
| 399 | Q | 90.1 | Very high | 90.1 | Very high | 100 Ų | 100 | 56.2 Ų | 56.2 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.7 | -74.8 | 167 | -20.7 | 0 | 0 | 111.3 | M395 T396 V402 L403 | M395-Q399 VanDerWaalsContact CA-OE1 3.27Å; M395-Q399 HydrophobicContact CB-CB 4.46Å; T396-Q399 PolarHBondContact O-N 3.27Å; T396-Q399 VanDerWaalsContact O-N 3.09Å; T396-Q399 WeakPolarHBondContact OG1-CG 3.13Å; T396-Q399 PolarHBondContact OG1-N 2.76Å; Q399-V402 PolarHBondContact O-N 2.91Å; Q399-L403 VanDerWaalsContact O-CB 3.25Å; Q399-L403 WeakPolarHBondContact O-CB 3.34Å; Q399-L403 PolarHBondContact O-N 3.28Å |
| 400 | I | 91 | Very high | 90.2 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 174.1 | -63 | -171.5 | 0 | 0 | 0 | 110.8 | I389 I392 M395 T396 L403 F404 V413 I415 V430 | I389-I400 HydrophobicContact CD1-CG2 3.72Å; I392-I400 HydrophobicContact CB-CD1 4.2Å; I392-I400 HydrophobicContact CD1-CD1 3.94Å; I392-I400 HydrophobicContact CG2-CD1 3.79Å; M395-I400 HydrophobicContact CB-CG1 4.37Å; T396-I400 PolarHBondContact O-N 2.91Å; I400-L403 PolarHBondContact O-N 2.7Å; I400-F404 HydrophobicContact CG2-CD2 3.89Å; I400-F404 HydrophobicContact CG2-CE2 4.37Å; I400-F404 HydrophobicContact CG2-CG 4.48Å; I400-F404 WeakPolarHBondContact O-CB 3.31Å; I400-F404 WeakPolarHBondContact O-CD2 3.5Å; I400-F404 PolarHBondContact O-N 3.47Å; I400-V413 HydrophobicContact CB-CG1 4.15Å; I400-V413 HydrophobicContact CG2-CG1 3.91Å; I400-I415 HydrophobicContact CD1-CD1 3.6Å; I400-I415 HydrophobicContact CD1-CG1 3.91Å; I400-I415 HydrophobicContact CG1-CD1 4.29Å; I400-V430 HydrophobicContact CG2-CG2 3.6Å |
| 401 | F | 93.2 | Very high | 90.2 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -49.3 | 177.4 | -177.4 | -87.9 | 0 | 0 | 0 | 112.1 | E397 A398 S405 I410 V413 | E397-F401 VanDerWaalsContact O-CB 3.28Å; E397-F401 WeakPolarHBondContact O-CB 3.49Å; E397-F401 PolarHBondContact O-N 3.36Å; A398-F401 PolarHBondContact O-N 2.89Å; F401-S405 WeakPolarHBondContact O-CB 3.2Å; F401-S405 PolarHBondContact O-N 2.88Å; F401-S405 PolarHBondContact O-OG 3.29Å; F401-I410 HydrophobicContact CD2-CB 4.2Å; F401-I410 HydrophobicContact CD2-CD1 4Å; F401-I410 HydrophobicContact CD2-CG2 3.98Å; F401-I410 HydrophobicContact CE2-CB 3.89Å; F401-I410 HydrophobicContact CE2-CD1 4.31Å; F401-I410 HydrophobicContact CE2-CG2 4.01Å; F401-I410 HydrophobicContact CG-CD1 4.48Å; F401-V413 HydrophobicContact CB-CG2 4.06Å; F401-V413 HydrophobicContact CD2-CG2 3.92Å |
| 402 | V | 92.6 | Very high | 90.3 | Very high | 103 Ų | 103 | 59.5 Ų | 59.5 | 62% | 0.624 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.3 | -46.7 | 178 | 172.1 | 0 | 0 | 0 | 0 | 111 | A398 Q399 F404 S405 | A398-V402 WeakPolarHBondContact O-CG2 3.3Å; A398-V402 PolarHBondContact O-N 2.92Å; Q399-V402 PolarHBondContact O-N 2.91Å; V402-F404 PolarHBondContact O-N 3.06Å; V402-S405 PolarHBondContact O-OG 2.89Å |
| 403 | L | 90.5 | Very high | 90.6 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.8 | -34.3 | -176.9 | -176.8 | 66.4 | 0 | 0 | 0 | 113.6 | Q399 I400 M445 L450 L455 | Q399-L403 VanDerWaalsContact O-CB 3.25Å; Q399-L403 WeakPolarHBondContact O-CB 3.34Å; Q399-L403 PolarHBondContact O-N 3.28Å; I400-L403 PolarHBondContact O-N 2.7Å; L403-M445 HydrophobicContact CD1-CE 3.83Å; L403-M445 HydrophobicContact CD2-CE 3.62Å; L403-M445 HydrophobicContact CG-CE 3.59Å; L403-L450 HydrophobicContact CD1-CD2 4.02Å; L403-L450 HydrophobicContact CD2-CD1 3.92Å; L403-L450 HydrophobicContact CD2-CD2 3.51Å; L403-L450 HydrophobicContact CD2-CG 4.38Å; L403-L450 HydrophobicContact CG-CD2 4.43Å; L403-L455 HydrophobicContact CD2-CD1 4.48Å |
| 404 | F | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -96.5 | -15.6 | -178.1 | -79.6 | -105.2 | 0 | 0 | 0 | 113.3 | I389 I400 V402 Q406 F407 I410 V430 Y432 M445 L455 V457 | I389-F404 HydrophobicContact CD1-CD1 4.07Å; I389-F404 HydrophobicContact CD1-CD2 4.01Å; I389-F404 HydrophobicContact CD1-CE1 3.65Å; I389-F404 HydrophobicContact CD1-CE2 3.58Å; I389-F404 HydrophobicContact CD1-CG 4.25Å; I389-F404 HydrophobicContact CD1-CZ 3.4Å; I389-F404 VanDerWaalsContact CD1-CZ 3.4Å; I389-F404 HydrophobicContact CG1-CE1 4.06Å; I389-F404 HydrophobicContact CG1-CE2 4.48Å; I389-F404 HydrophobicContact CG1-CZ 3.88Å; I389-F404 HydrophobicContact CG2-CZ 4.3Å; I400-F404 HydrophobicContact CG2-CD2 3.89Å; I400-F404 HydrophobicContact CG2-CE2 4.37Å; I400-F404 HydrophobicContact CG2-CG 4.48Å; I400-F404 WeakPolarHBondContact O-CB 3.31Å; I400-F404 WeakPolarHBondContact O-CD2 3.5Å; I400-F404 PolarHBondContact O-N 3.47Å; V402-F404 PolarHBondContact O-N 3.06Å; F404-Q406 PolarHBondContact O-N 3.42Å; F404-F407 WeakPolarHBondContact O-CD2 3.46Å; F404-F407 PolarHBondContact O-N 2.77Å; F404-I410 HydrophobicContact CB-CD1 3.93Å; F404-V430 HydrophobicContact CB-CG1 4.42Å; F404-V430 HydrophobicContact CB-CG2 4.46Å; F404-V430 HydrophobicContact CG-CG2 4.38Å; F404-Y432 WeakPolarHBondContact CB-OH 3.35Å; F404-Y432 WeakPolarHBondContact CD1-OH 3.48Å; F404-Y432 PolarHBondContact O-OH 3.12Å; F404-M445 HydrophobicContact CD1-CG 4.42Å; F404-M445 HydrophobicContact CE1-CB 3.93Å; F404-M445 HydrophobicContact CE1-CG 3.82Å; F404-M445 HydrophobicContact CE2-CE 4.03Å; F404-M445 HydrophobicContact CE2-CG 4.37Å; F404-M445 HydrophobicContact CZ-CB 3.74Å; F404-M445 HydrophobicContact CZ-CE 4.19Å; F404-M445 HydrophobicContact CZ-CG 3.79Å; F404-L455 HydrophobicContact CE2-CD1 4.16Å; F404-L455 HydrophobicContact CZ-CD1 4.21Å; F404-V457 HydrophobicContact CE1-CG1 4.01Å; F404-V457 HydrophobicContact CZ-CG1 4.41Å; F404-V457 HydrophobicContact CZ-CG2 4.18Å |
| 405 | S | 92.1 | Very high | 91.1 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -24.9 | -179.2 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | F401 V402 F407 G408 | F401-S405 WeakPolarHBondContact O-CB 3.2Å; F401-S405 PolarHBondContact O-N 2.88Å; F401-S405 PolarHBondContact O-OG 3.29Å; V402-S405 PolarHBondContact O-OG 2.89Å; S405-F407 PolarHBondContact O-N 2.98Å; S405-F407 VanDerWaalsContact O-N 3.15Å; S405-G408 PolarHBondContact O-N 2.91Å |
| 406 | Q | 91.9 | Very high | 91.2 | Very high | 134 Ų | 134 | 56.3 Ų | 56.3 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.2 | 177.1 | 68.5 | -177 | 43.6 | 0 | 0 | 114.1 | F404 | F404-Q406 PolarHBondContact O-N 3.42Š|
| 407 | F | 93.1 | Very high | 91 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 9% | 0.088 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.7 | 177.8 | -51.4 | -71.2 | 0 | 0 | 0 | 113.4 | F404 S405 Y432 S437 N440 I444 M445 | F404-F407 WeakPolarHBondContact O-CD2 3.46Å; F404-F407 PolarHBondContact O-N 2.77Å; S405-F407 PolarHBondContact O-N 2.98Å; S405-F407 VanDerWaalsContact O-N 3.15Å; F407-Y432 HydrophobicContact CB-CE1 4.35Å; F407-S437 WeakPolarHBondContact O-CA 3.21Å; F407-S437 WeakPolarHBondContact O-CB 3.42Å; F407-S437 PolarHBondContact O-OG 3.03Å; F407-N440 HydrophobicContact CD1-CB 4.44Å; F407-I444 HydrophobicContact CD1-CD1 4.22Å; F407-I444 HydrophobicContact CE1-CB 3.66Å; F407-I444 HydrophobicContact CE1-CD1 3.72Å; F407-I444 HydrophobicContact CE1-CG1 4.26Å; F407-I444 HydrophobicContact CE1-CG2 3.71Å; F407-I444 HydrophobicContact CZ-CB 4.02Å; F407-I444 HydrophobicContact CZ-CG2 3.82Å; F407-M445 HydrophobicContact CD2-CG 4.37Å; F407-M445 HydrophobicContact CE2-CG 3.34Å; F407-M445 HydrophobicContact CE2-SD 3.67Å; F407-M445 HydrophobicContact CZ-CG 3.51Å; F407-M445 HydrophobicContact CZ-SD 3.57Å; F407-M445 VanDerWaalsContact CZ-SD 3.57Å |
| 408 | G | 89.8 | Confident | 90.4 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 140.9 | -174.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S405 I410 | S405-G408 PolarHBondContact O-N 2.91Å; G408-I410 PolarHBondContact O-N 2.96Å; G408-I410 VanDerWaalsContact O-N 3.15Å |
| 409 | P | 92 | Very high | 89.6 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | trans | -73 | 112.5 | -167.3 | -11.2 | 24.7 | 0 | 0 | 0 | 112.1 | S433 | P409-S433 WeakPolarHBondContact CB-OG 3.45Å; P409-S433 WeakPolarHBondContact CD-OG 3.48Å; P409-S433 WeakPolarHBondContact O-CB 3.34Å; P409-S433 PolarHBondContact O-N 3.12Å; P409-S433 PolarHBondContact O-OG 3.37Å | ||
| 410 | I | 93.5 | Very high | 89 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 126.4 | 175.8 | -64.5 | 170.4 | 0 | 0 | 0 | 110 | F401 F404 G408 N412 V413 V430 Y432 | F401-I410 HydrophobicContact CD2-CB 4.2Å; F401-I410 HydrophobicContact CD2-CD1 4Å; F401-I410 HydrophobicContact CD2-CG2 3.98Å; F401-I410 HydrophobicContact CE2-CB 3.89Å; F401-I410 HydrophobicContact CE2-CD1 4.31Å; F401-I410 HydrophobicContact CE2-CG2 4.01Å; F401-I410 HydrophobicContact CG-CD1 4.48Å; F404-I410 HydrophobicContact CB-CD1 3.93Å; G408-I410 PolarHBondContact O-N 2.96Å; G408-I410 VanDerWaalsContact O-N 3.15Å; I410-N412 WeakPolarHBondContact CG2-O 3.25Å; I410-V413 HydrophobicContact CD1-CG2 4.49Å; I410-V413 HydrophobicContact CG2-CG2 3.66Å; I410-V430 HydrophobicContact CD1-CG1 4.02Å; I410-V430 HydrophobicContact CG1-CG1 3.87Å; I410-V430 HydrophobicContact CG2-CG1 4.17Å; I410-Y432 HydrophobicContact CD1-CE1 4.5Å; I410-Y432 HydrophobicContact CG1-CD1 3.97Å; I410-Y432 HydrophobicContact CG1-CE1 3.69Å |
| 411 | L | 91.5 | Very high | 88.4 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 47% | 0.466 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -27.9 | 173 | -66.2 | -179.2 | 0 | 0 | 0 | 113.9 | T431 | L411-T431 WeakPolarHBondContact CA-O 3.38Å; L411-T431 HydrophobicContact CB-CG2 4.32Å; L411-T431 HydrophobicContact CD1-CG2 4.46Å; L411-T431 PolarHBondContact N-O 2.85Å |
| 412 | N | 91.6 | Very high | 87.4 | Confident | 86 Ų | 86 | 70.7 Ų | 70.7 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 145.4 | 176.3 | -165.6 | 57.5 | 0 | 0 | 0 | 111.9 | I410 T431 | I410-N412 WeakPolarHBondContact CG2-O 3.25Å; N412-T431 PolarHBondContact N-O 3.19Å; N412-T431 PolarHBondContact O-N 2.79Å |
| 413 | V | 92.7 | Very high | 86.5 | Confident | 20 Ų | 20 | 69 Ų | 69 | 12% | 0.121 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.3 | 162.4 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | E397 I400 F401 I410 F429 V430 | E397-V413 HydrophobicContact CB-CG1 4.17Å; E397-V413 HydrophobicContact CG-CG1 4.4Å; I400-V413 HydrophobicContact CB-CG1 4.15Å; I400-V413 HydrophobicContact CG2-CG1 3.91Å; F401-V413 HydrophobicContact CB-CG2 4.06Å; F401-V413 HydrophobicContact CD2-CG2 3.92Å; I410-V413 HydrophobicContact CD1-CG2 4.49Å; I410-V413 HydrophobicContact CG2-CG2 3.66Å; V413-F429 CarbonylContact C-O 3.46Å; V413-F429 WeakPolarHBondContact CA-O 3.15Å; V413-V430 HydrophobicContact CG1-CG2 4.29Å; V413-V430 HydrophobicContact CG2-CG2 4.25Å |
| 414 | S | 90.4 | Very high | 85.8 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 124.4 | 174.1 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | E397 P416 G428 F429 | E397-S414 VanDerWaalsContact OE1-CA 3.3Å; E397-S414 WeakPolarHBondContact OE1-CA 3.43Å; S414-P416 WeakPolarHBondContact O-CD 3.39Å; S414-G428 CarbonylContact O-C 3.55Å; S414-G428 WeakPolarHBondContact O-CA 3.16Å; S414-F429 PolarHBondContact N-O 2.8Å; S414-F429 PolarHBondContact O-N 3.11Å |
| 415 | I | 90.8 | Very high | 85.2 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | trans | -109.5 | 103.3 | 173.2 | -64.5 | 170.4 | 0 | 0 | 0 | 108.4 | I392 M395 E397 I400 K417 | I392-I415 HydrophobicContact CD1-CB 4.48Å; I392-I415 HydrophobicContact CD1-CD1 3.94Å; I392-I415 HydrophobicContact CD1-CG1 3.9Å; I392-I415 HydrophobicContact CD1-CG2 3.79Å; M395-I415 VanDerWaalsContact O-CD1 3.31Å; M395-I415 WeakPolarHBondContact O-CD1 3.36Å; E397-I415 HydrophobicContact CB-CD1 4.4Å; E397-I415 HydrophobicContact CG-CB 3.96Å; E397-I415 HydrophobicContact CG-CD1 3.67Å; E397-I415 HydrophobicContact CG-CG1 3.74Å; E397-I415 PolarHBondContact OE1-N 3.26Å; I400-I415 HydrophobicContact CD1-CD1 3.6Å; I400-I415 HydrophobicContact CD1-CG1 3.91Å; I400-I415 HydrophobicContact CG1-CD1 4.29Å; I415-K417 HydrophobicContact CG2-CG 4.36Å; I415-K417 PolarHBondContact O-N 3.38Å | ||
| 416 | P | 85.4 | Confident | 85 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 25% | 0.253 | 38% | 0.383 | S | S | . | . | trans | -66.4 | 104.2 | 174.5 | -24.4 | 37.9 | 0 | 0 | 0 | 111 | S414 R425 F427 F429 | S414-P416 WeakPolarHBondContact O-CD 3.39Å; P416-R425 WeakPolarHBondContact O-CB 3.43Å; P416-R425 WeakPolarHBondContact O-CG 3.48Å; P416-R425 PolarHBondContact O-N 2.61Å; P416-F427 HydrophobicContact CB-CE2 4.11Å; P416-F427 HydrophobicContact CB-CZ 4.31Å; P416-F427 HydrophobicContact CG-CD2 4.37Å; P416-F427 HydrophobicContact CG-CE2 3.73Å; P416-F427 HydrophobicContact CG-CZ 4.4Å; P416-F429 HydrophobicContact CG-CD2 4.24Å; P416-F429 HydrophobicContact CG-CE2 3.91Å | ||
| 417 | K | 85.5 | Confident | 85 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -81.8 | 151 | 169 | -56.9 | -173.9 | 174.8 | -171.7 | 0 | 110 | I415 S423 | I415-K417 HydrophobicContact CG2-CG 4.36Å; I415-K417 PolarHBondContact O-N 3.38Å; K417-S423 CarbonylContact C-O 3.58Å; K417-S423 VanDerWaalsContact CA-O 3.31Å; K417-S423 WeakPolarHBondContact CA-O 3.24Å |
| 418 | D | 77.8 | Confident | 85 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | trans | -75.9 | 136.5 | 168.1 | 172.3 | 51.5 | 0 | 0 | 0 | 110.5 | K420 T421 N422 S423 R425 | D418-K420 PolarHBondContact O-N 2.73Å; D418-K420 PolarHBondContact OD2-N 3.5Å; D418-T421 PolarHBondContact OD2-N 2.81Å; D418-T421 PolarHBondContact OD2-OG1 2.65Å; D418-N422 VanDerWaalsContact O-CA 3.28Å; D418-N422 WeakPolarHBondContact O-CA 3.42Å; D418-N422 PolarHBondContact O-N 3.08Å; D418-S423 PolarHBondContact N-O 3.03Å; D418-R425 HydrophobicContact CB-CG 4.26Å | ||
| 419 | Y | 74.2 | Confident | 85.2 | Confident | 188 Ų | 188 | 70.2 Ų | 70.2 | 74% | 0.737 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -21 | -168.8 | 79.6 | -80.2 | 0 | 0 | 0 | 113.6 | ||
| 420 | K | 76.5 | Confident | 85.3 | Confident | 160 Ų | 160 | 66.2 Ų | 66.2 | 70% | 0.696 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -38.9 | 177.8 | -64.5 | -173.1 | 176.6 | -172.5 | 0 | 112.2 | D418 | D418-K420 PolarHBondContact O-N 2.73Å; D418-K420 PolarHBondContact OD2-N 3.5Å |
| 421 | T | 78.4 | Confident | 85.3 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -10.5 | -171 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | D418 S423 | D418-T421 PolarHBondContact OD2-N 2.81Å; D418-T421 PolarHBondContact OD2-OG1 2.65Å; T421-S423 PolarHBondContact O-N 2.87Å; T421-S423 WeakPolarHBondContact OG1-CB 3.39Å; T421-S423 PolarHBondContact OG1-N 2.88Å |
| 422 | N | 72.6 | Confident | 85.5 | Confident | 125 Ų | 125 | 62.1 Ų | 62.1 | 67% | 0.668 | 31% | 0.309 | S | S | * | . | trans | 54.3 | 8.4 | -165.2 | -88.2 | -63.4 | 0 | 0 | 0 | 114.9 | D418 | D418-N422 VanDerWaalsContact O-CA 3.28Å; D418-N422 WeakPolarHBondContact O-CA 3.42Å; D418-N422 PolarHBondContact O-N 3.08Å | ||
| 423 | S | 73.2 | Confident | 85.4 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | trans | -76 | 131.7 | -177.9 | -168.3 | 0 | 0 | 0 | 0 | 110.5 | K417 D418 T421 R425 | K417-S423 CarbonylContact C-O 3.58Å; K417-S423 VanDerWaalsContact CA-O 3.31Å; K417-S423 WeakPolarHBondContact CA-O 3.24Å; D418-S423 PolarHBondContact N-O 3.03Å; T421-S423 PolarHBondContact O-N 2.87Å; T421-S423 WeakPolarHBondContact OG1-CB 3.39Å; T421-S423 PolarHBondContact OG1-N 2.88Å; S423-R425 PolarHBondContact O-N 3.15Å | ||
| 424 | S | 76.7 | Confident | 85.3 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -57.4 | 130.3 | 168.2 | -64.2 | 0 | 0 | 0 | 0 | 108.8 | N426 | S424-N426 PolarHBondContact O-N 3.15Å |
| 425 | R | 79.6 | Confident | 85.4 | Confident | 154 Ų | 154 | 64.2 Ų | 64.2 | 58% | 0.581 | 32% | 0.317 | S | S | * | . | trans | -72.9 | 26.8 | -176.9 | -65.8 | -178 | 65.4 | 172 | 2.5 | 114.1 | P416 D418 S423 F427 | P416-R425 WeakPolarHBondContact O-CB 3.43Å; P416-R425 WeakPolarHBondContact O-CG 3.48Å; P416-R425 PolarHBondContact O-N 2.61Å; D418-R425 HydrophobicContact CB-CG 4.26Å; S423-R425 PolarHBondContact O-N 3.15Å; R425-F427 HydrophobicContact CB-CD1 3.88Å; R425-F427 HydrophobicContact CB-CE1 3.6Å; R425-F427 HydrophobicContact CB-CZ 4.32Å; R425-F427 WeakPolarHBondContact O-CD1 3.15Å; R425-F427 PolarHBondContact O-N 3.25Å | ||
| 426 | N | 88.5 | Confident | 85.5 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 55.5 | 20.5 | -170.3 | -152.4 | 22.7 | 0 | 0 | 0 | 114.4 | Y390 N391 I392 G393 S424 | Y390-N426 CarbonylContact C-O 3.58Å; N391-N426 VanDerWaalsContact C-OD1 3.25Å; N391-N426 VanDerWaalsContact CA-OD1 3.3Å; N391-N426 WeakPolarHBondContact CA-OD1 3.3Å; N391-N426 PolarHBondContact N-O 3.1Å; N391-N426 PolarHBondContact OD1-ND2 2.75Å; I392-N426 PolarHBondContact N-OD1 3.41Å; G393-N426 WeakPolarHBondContact CA-OD1 3.28Å; G393-N426 PolarHBondContact N-OD1 2.82Å; S424-N426 PolarHBondContact O-N 3.15Å |
| 427 | F | 91.5 | Very high | 85.9 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.4 | 174.1 | 71.6 | -98.6 | 0 | 0 | 0 | 114.1 | Y388 I389 Y390 P416 R425 F429 | Y388-F427 HydrophobicContact CD2-CD2 4.38Å; Y388-F427 HydrophobicContact CE2-CB 3.65Å; Y388-F427 AromaticContact CE2-CD2 3.68Å; Y388-F427 HydrophobicContact CE2-CD2 3.68Å; Y388-F427 HydrophobicContact CE2-CE2 4.46Å; Y388-F427 AromaticContact CE2-CG 3.76Å; Y388-F427 HydrophobicContact CE2-CG 3.76Å; I389-F427 CarbonylContact O-C 3.58Å; I389-F427 WeakPolarHBondContact O-CA 3.33Å; I389-F427 VanDerWaalsContact O-CB 3.3Å; I389-F427 WeakPolarHBondContact O-CB 3.5Å; Y390-F427 HydrophobicContact CD2-CB 4.02Å; P416-F427 HydrophobicContact CB-CE2 4.11Å; P416-F427 HydrophobicContact CB-CZ 4.31Å; P416-F427 HydrophobicContact CG-CD2 4.37Å; P416-F427 HydrophobicContact CG-CE2 3.73Å; P416-F427 HydrophobicContact CG-CZ 4.4Å; R425-F427 HydrophobicContact CB-CD1 3.88Å; R425-F427 HydrophobicContact CB-CE1 3.6Å; R425-F427 HydrophobicContact CB-CZ 4.32Å; R425-F427 WeakPolarHBondContact O-CD1 3.15Å; R425-F427 PolarHBondContact O-N 3.25Å; F427-F429 HydrophobicContact CD2-CE2 4.25Å; F427-F429 HydrophobicContact CD2-CZ 4.23Å; F427-F429 AromaticContact CE2-CE2 3.88Å; F427-F429 HydrophobicContact CE2-CE2 3.88Å; F427-F429 AromaticContact CE2-CZ 3.92Å; F427-F429 HydrophobicContact CE2-CZ 3.92Å |
| 428 | G | 92.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | -178.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I389 S414 | I389-G428 PolarHBondContact N-O 3.27Å; I389-G428 PolarHBondContact O-N 3.12Å; S414-G428 CarbonylContact O-C 3.55Å; S414-G428 WeakPolarHBondContact O-CA 3.16Å |
| 429 | F | 94.2 | Very high | 87.1 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 17% | 0.171 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.3 | 175.4 | -55.4 | -76.2 | 0 | 0 | 0 | 110 | V387 Y388 V413 S414 P416 F427 R460 | V387-F429 VanDerWaalsContact O-CA 3.29Å; V387-F429 WeakPolarHBondContact O-CA 3.41Å; Y388-F429 AromaticContact CD2-CD1 3.9Å; Y388-F429 HydrophobicContact CD2-CD1 3.9Å; Y388-F429 AromaticContact CD2-CE1 3.48Å; Y388-F429 HydrophobicContact CD2-CE1 3.48Å; Y388-F429 VanDerWaalsContact CD2-CE1 3.48Å; Y388-F429 HydrophobicContact CD2-CZ 4.22Å; Y388-F429 HydrophobicContact CE2-CE1 4.24Å; Y388-F429 HydrophobicContact CG-CE1 4.32Å; V413-F429 CarbonylContact C-O 3.46Å; V413-F429 WeakPolarHBondContact CA-O 3.15Å; S414-F429 PolarHBondContact N-O 2.8Å; S414-F429 PolarHBondContact O-N 3.11Å; P416-F429 HydrophobicContact CG-CD2 4.24Å; P416-F429 HydrophobicContact CG-CE2 3.91Å; F427-F429 HydrophobicContact CD2-CE2 4.25Å; F427-F429 HydrophobicContact CD2-CZ 4.23Å; F427-F429 AromaticContact CE2-CE2 3.88Å; F427-F429 HydrophobicContact CE2-CE2 3.88Å; F427-F429 AromaticContact CE2-CZ 3.92Å; F427-F429 HydrophobicContact CE2-CZ 3.92Å; F429-R460 HydrophobicContact CD1-CB 4.46Å; F429-R460 HydrophobicContact CD1-CG 3.75Å; F429-R460 HydrophobicContact CE1-CG 3.79Å |
| 430 | V | 94.3 | Very high | 88 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.5 | 171.6 | 172.1 | 0 | 0 | 0 | 0 | 107.5 | V387 I389 I400 F404 I410 V413 Y432 | V387-V430 PolarHBondContact N-O 2.95Å; V387-V430 PolarHBondContact O-N 2.77Å; I389-V430 HydrophobicContact CD1-CB 4.34Å; I389-V430 HydrophobicContact CD1-CG2 3.5Å; I389-V430 VanDerWaalsContact CD1-CG2 3.5Å; I400-V430 HydrophobicContact CG2-CG2 3.6Å; F404-V430 HydrophobicContact CB-CG1 4.42Å; F404-V430 HydrophobicContact CB-CG2 4.46Å; F404-V430 HydrophobicContact CG-CG2 4.38Å; I410-V430 HydrophobicContact CD1-CG1 4.02Å; I410-V430 HydrophobicContact CG1-CG1 3.87Å; I410-V430 HydrophobicContact CG2-CG1 4.17Å; V413-V430 HydrophobicContact CG1-CG2 4.29Å; V413-V430 HydrophobicContact CG2-CG2 4.25Å; V430-Y432 HydrophobicContact CG1-CD2 4.02Å; V430-Y432 HydrophobicContact CG1-CE1 4.42Å; V430-Y432 HydrophobicContact CG1-CE2 3.61Å |
| 431 | T | 93.9 | Very high | 88.8 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 17% | 0.172 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.8 | 173.9 | -62.5 | 0 | 0 | 0 | 0 | 108.5 | S386 L411 N412 | S386-T431 PolarHBondContact OG-OG1 3.32Å; L411-T431 WeakPolarHBondContact CA-O 3.38Å; L411-T431 HydrophobicContact CB-CG2 4.32Å; L411-T431 HydrophobicContact CD1-CG2 4.46Å; L411-T431 PolarHBondContact N-O 2.85Å; N412-T431 PolarHBondContact N-O 3.19Å; N412-T431 PolarHBondContact O-N 2.79Å |
| 432 | Y | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 162.8 | 171.9 | -70.4 | -84.1 | 0 | 0 | 0 | 111.8 | T385 V387 F404 F407 I410 V430 N434 A438 S441 | T385-Y432 WeakPolarHBondContact CB-O 3.31Å; T385-Y432 PolarHBondContact O-N 2.8Å; T385-Y432 PolarHBondContact OG1-O 3.17Å; V387-Y432 HydrophobicContact CG2-CD2 4Å; V387-Y432 HydrophobicContact CG2-CE2 3.84Å; F404-Y432 WeakPolarHBondContact CB-OH 3.35Å; F404-Y432 WeakPolarHBondContact CD1-OH 3.48Å; F404-Y432 PolarHBondContact O-OH 3.12Å; F407-Y432 HydrophobicContact CB-CE1 4.35Å; I410-Y432 HydrophobicContact CD1-CE1 4.5Å; I410-Y432 HydrophobicContact CG1-CD1 3.97Å; I410-Y432 HydrophobicContact CG1-CE1 3.69Å; V430-Y432 HydrophobicContact CG1-CD2 4.02Å; V430-Y432 HydrophobicContact CG1-CE1 4.42Å; V430-Y432 HydrophobicContact CG1-CE2 3.61Å; Y432-N434 WeakPolarHBondContact CB-O 3.38Å; Y432-A438 VanDerWaalsContact CD2-CA 3.49Å; Y432-A438 HydrophobicContact CD2-CB 3.78Å; Y432-A438 HydrophobicContact CE2-CB 4.43Å; Y432-A438 HydrophobicContact CG-CB 4.48Å; Y432-S441 VanDerWaalsContact CE2-OG 3.26Å; Y432-S441 WeakPolarHBondContact CE2-OG 3.24Å; Y432-S441 WeakPolarHBondContact OH-CB 3.46Å; Y432-S441 PolarHBondContact OH-OG 3.42Å |
| 433 | S | 91 | Very high | 90.4 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -64.6 | -48.5 | 164.7 | 43.7 | 0 | 0 | 0 | 0 | 111.7 | P409 | P409-S433 WeakPolarHBondContact CB-OG 3.45Å; P409-S433 WeakPolarHBondContact CD-OG 3.48Å; P409-S433 WeakPolarHBondContact O-CB 3.34Å; P409-S433 PolarHBondContact O-N 3.12Å; P409-S433 PolarHBondContact O-OG 3.37Å |
| 434 | N | 90.6 | Very high | 91.2 | Very high | 95 Ų | 95 | 46.5 Ų | 46.5 | 51% | 0.508 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -113.7 | 146.5 | -170.6 | -61.1 | -0.7 | 0 | 0 | 0 | 111.5 | Y432 S437 A438 | Y432-N434 WeakPolarHBondContact CB-O 3.38Å; N434-S437 PolarHBondContact O-N 3.03Å; N434-A438 PolarHBondContact O-N 2.86Å |
| 435 | F | 92.7 | Very high | 91.9 | Very high | 60 Ų | 60 | 46 Ų | 46 | 26% | 0.263 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 175 | 173.8 | -107.3 | 0 | 0 | 0 | 112.2 | N382 E383 T385 S437 A438 Q439 F459 | N382-F435 WeakPolarHBondContact O-CE2 3.34Å; E383-F435 HydrophobicContact CB-CD2 4.23Å; E383-F435 HydrophobicContact CB-CG 4.37Å; E383-F435 WeakPolarHBondContact O-CD2 3.37Å; T385-F435 HydrophobicContact CG2-CB 4.33Å; F435-S437 VanDerWaalsContact C-N 3.27Å; F435-S437 PolarHBondContact O-N 3.07Å; F435-A438 WeakPolarHBondContact O-CA 3.47Å; F435-A438 VanDerWaalsContact O-CB 3.31Å; F435-A438 WeakPolarHBondContact O-CB 3.41Å; F435-A438 PolarHBondContact O-N 2.89Å; F435-Q439 PolarHBondContact O-N 3.33Å; F435-F459 AromaticContact CD2-CE1 3.97Å; F435-F459 HydrophobicContact CD2-CE1 3.97Å; F435-F459 HydrophobicContact CD2-CZ 4.15Å; F435-F459 HydrophobicContact CE2-CD1 4.39Å; F435-F459 AromaticContact CE2-CE1 3.44Å; F435-F459 HydrophobicContact CE2-CE1 3.44Å; F435-F459 VanDerWaalsContact CE2-CE1 3.44Å; F435-F459 HydrophobicContact CE2-CE2 4.11Å; F435-F459 AromaticContact CE2-CZ 3.27Å; F435-F459 HydrophobicContact CE2-CZ 3.27Å; F435-F459 HydrophobicContact CZ-CE1 4.32Å; F435-F459 HydrophobicContact CZ-CE2 4.31Å; F435-F459 AromaticContact CZ-CZ 3.7Å; F435-F459 HydrophobicContact CZ-CZ 3.7Å |
| 436 | Q | 92.3 | Very high | 92.4 | Very high | 115 Ų | 115 | 43 Ų | 43 | 54% | 0.537 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.9 | -36.4 | 179.3 | -164.6 | 64 | 47 | 0 | 0 | 113 | A438 Q439 N440 | Q436-A438 VanDerWaalsContact C-N 3.35Å; Q436-Q439 PolarHBondContact O-N 3.37Å; Q436-N440 PolarHBondContact NE2-OD1 3.19Å; Q436-N440 WeakPolarHBondContact O-CB 3.29Å; Q436-N440 PolarHBondContact O-N 3.01Å; Q436-N440 PolarHBondContact O-OD1 2.85Å; Q436-N440 VanDerWaalsContact O-OD1 3.1Å |
| 437 | S | 93.8 | Very high | 92.3 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -35.1 | 175.2 | -64 | 0 | 0 | 0 | 0 | 112.5 | F407 N434 F435 S441 | F407-S437 WeakPolarHBondContact O-CA 3.21Å; F407-S437 WeakPolarHBondContact O-CB 3.42Å; F407-S437 PolarHBondContact O-OG 3.03Å; N434-S437 PolarHBondContact O-N 3.03Å; F435-S437 VanDerWaalsContact C-N 3.27Å; F435-S437 PolarHBondContact O-N 3.07Å; S437-S441 WeakPolarHBondContact O-CB 3.48Å; S437-S441 PolarHBondContact O-N 2.76Å; S437-S441 VanDerWaalsContact O-N 3.16Å; S437-S441 PolarHBondContact O-OG 3.4Å |
| 438 | A | 94 | Very high | 92 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -49.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V387 Y432 N434 F435 Q436 S441 I442 F459 | V387-A438 HydrophobicContact CG2-CB 3.61Å; Y432-A438 VanDerWaalsContact CD2-CA 3.49Å; Y432-A438 HydrophobicContact CD2-CB 3.78Å; Y432-A438 HydrophobicContact CE2-CB 4.43Å; Y432-A438 HydrophobicContact CG-CB 4.48Å; N434-A438 PolarHBondContact O-N 2.86Å; F435-A438 WeakPolarHBondContact O-CA 3.47Å; F435-A438 VanDerWaalsContact O-CB 3.31Å; F435-A438 WeakPolarHBondContact O-CB 3.41Å; F435-A438 PolarHBondContact O-N 2.89Å; Q436-A438 VanDerWaalsContact C-N 3.35Å; A438-S441 PolarHBondContact O-N 2.99Å; A438-S441 PolarHBondContact O-OG 3.42Å; A438-I442 WeakPolarHBondContact O-CG1 3.39Å; A438-I442 PolarHBondContact O-N 2.83Å; A438-F459 HydrophobicContact CB-CE1 3.9Å |
| 439 | Q | 93.2 | Very high | 91.5 | Very high | 49 Ų | 49 | 47 Ų | 47 | 23% | 0.229 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56 | -58 | 176.5 | -174.3 | 62.4 | 58.7 | 0 | 0 | 111.8 | F435 Q436 S441 I442 D443 F459 | F435-Q439 PolarHBondContact O-N 3.33Å; Q436-Q439 PolarHBondContact O-N 3.37Å; Q439-S441 PolarHBondContact O-N 2.83Å; Q439-S441 VanDerWaalsContact O-N 3.12Å; Q439-I442 WeakPolarHBondContact O-CA 3.47Å; Q439-I442 WeakPolarHBondContact O-CB 3.38Å; Q439-I442 PolarHBondContact O-N 3.21Å; Q439-D443 WeakPolarHBondContact CG-OD2 3.36Å; Q439-D443 PolarHBondContact NE2-OD1 3.4Å; Q439-D443 PolarHBondContact NE2-OD2 3.1Å; Q439-D443 PolarHBondContact O-N 3.01Å; Q439-F459 HydrophobicContact CB-CZ 4.22Å; Q439-F459 VanDerWaalsContact OE1-CE2 3.25Å; Q439-F459 VanDerWaalsContact OE1-CZ 3.25Å |
| 440 | N | 93.3 | Very high | 90.7 | Very high | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54.8 | -36.8 | 178.9 | -68.8 | 12.9 | 0 | 0 | 0 | 112.4 | F407 Q436 I444 | F407-N440 HydrophobicContact CD1-CB 4.44Å; Q436-N440 PolarHBondContact NE2-OD1 3.19Å; Q436-N440 WeakPolarHBondContact O-CB 3.29Å; Q436-N440 PolarHBondContact O-N 3.01Å; Q436-N440 PolarHBondContact O-OD1 2.85Å; Q436-N440 VanDerWaalsContact O-OD1 3.1Å; N440-I444 WeakPolarHBondContact O-CB 3.42Å; N440-I444 WeakPolarHBondContact O-CG1 3.48Å; N440-I444 PolarHBondContact O-N 3.33Å |
| 441 | S | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.7 | -30.3 | 177.2 | 80.1 | 0 | 0 | 0 | 0 | 113.8 | Y432 S437 A438 Q439 M445 | Y432-S441 VanDerWaalsContact CE2-OG 3.26Å; Y432-S441 WeakPolarHBondContact CE2-OG 3.24Å; Y432-S441 WeakPolarHBondContact OH-CB 3.46Å; Y432-S441 PolarHBondContact OH-OG 3.42Å; S437-S441 WeakPolarHBondContact O-CB 3.48Å; S437-S441 PolarHBondContact O-N 2.76Å; S437-S441 VanDerWaalsContact O-N 3.16Å; S437-S441 PolarHBondContact O-OG 3.4Å; A438-S441 PolarHBondContact O-N 2.99Å; A438-S441 PolarHBondContact O-OG 3.42Å; Q439-S441 PolarHBondContact O-N 2.83Å; Q439-S441 VanDerWaalsContact O-N 3.12Å; S441-M445 WeakPolarHBondContact O-CB 3.45Å; S441-M445 WeakPolarHBondContact O-CG 3.34Å; S441-M445 PolarHBondContact O-N 3.22Å |
| 442 | I | 93.1 | Very high | 88.9 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.5 | -52.2 | 171.9 | -72.8 | 159.1 | 0 | 0 | 0 | 108.9 | V387 A438 Q439 I444 M445 N446 V457 F459 | V387-I442 HydrophobicContact CG1-CG1 4Å; V387-I442 HydrophobicContact CG2-CD1 4.13Å; V387-I442 HydrophobicContact CG2-CG1 4.19Å; A438-I442 WeakPolarHBondContact O-CG1 3.39Å; A438-I442 PolarHBondContact O-N 2.83Å; Q439-I442 WeakPolarHBondContact O-CA 3.47Å; Q439-I442 WeakPolarHBondContact O-CB 3.38Å; Q439-I442 PolarHBondContact O-N 3.21Å; I442-I444 PolarHBondContact O-N 2.88Å; I442-M445 PolarHBondContact O-N 3.33Å; I442-N446 WeakPolarHBondContact O-CB 3.39Å; I442-N446 PolarHBondContact O-N 3.41Å; I442-V457 HydrophobicContact CB-CG1 4.46Å; I442-V457 HydrophobicContact CG1-CG1 3.92Å; I442-F459 HydrophobicContact CD1-CB 4.46Å; I442-F459 HydrophobicContact CD1-CD1 3.52Å; I442-F459 HydrophobicContact CD1-CD2 3.69Å; I442-F459 HydrophobicContact CD1-CE1 3.47Å; I442-F459 VanDerWaalsContact CD1-CE1 3.47Å; I442-F459 HydrophobicContact CD1-CE2 3.63Å; I442-F459 HydrophobicContact CD1-CG 3.63Å; I442-F459 HydrophobicContact CD1-CZ 3.52Å |
| 443 | D | 90.9 | Very high | 88.3 | Confident | 103 Ų | 103 | 58.6 Ų | 58.6 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64 | -29.3 | -172.6 | -59.4 | -32.9 | 0 | 0 | 0 | 113.2 | Q439 | Q439-D443 WeakPolarHBondContact CG-OD2 3.36Å; Q439-D443 PolarHBondContact NE2-OD1 3.4Å; Q439-D443 PolarHBondContact NE2-OD2 3.1Å; Q439-D443 PolarHBondContact O-N 3.01Å |
| 444 | I | 91.3 | Very high | 88 | Confident | 108 Ų | 108 | 63.9 Ų | 63.9 | 55% | 0.554 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -97.6 | -34.4 | -179.3 | -62.8 | 168.3 | 0 | 0 | 0 | 112.8 | F407 N440 I442 | F407-I444 HydrophobicContact CD1-CD1 4.22Å; F407-I444 HydrophobicContact CE1-CB 3.66Å; F407-I444 HydrophobicContact CE1-CD1 3.72Å; F407-I444 HydrophobicContact CE1-CG1 4.26Å; F407-I444 HydrophobicContact CE1-CG2 3.71Å; F407-I444 HydrophobicContact CZ-CB 4.02Å; F407-I444 HydrophobicContact CZ-CG2 3.82Å; N440-I444 WeakPolarHBondContact O-CB 3.42Å; N440-I444 WeakPolarHBondContact O-CG1 3.48Å; N440-I444 PolarHBondContact O-N 3.33Å; I442-I444 PolarHBondContact O-N 2.88Å |
| 445 | M | 91.2 | Very high | 88.1 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -93.2 | -17.9 | -177.4 | -58.8 | -61.8 | -61.4 | 0 | 0 | 114.2 | L403 F404 F407 S441 I442 G447 S448 L450 L455 V457 | L403-M445 HydrophobicContact CD1-CE 3.83Å; L403-M445 HydrophobicContact CD2-CE 3.62Å; L403-M445 HydrophobicContact CG-CE 3.59Å; F404-M445 HydrophobicContact CD1-CG 4.42Å; F404-M445 HydrophobicContact CE1-CB 3.93Å; F404-M445 HydrophobicContact CE1-CG 3.82Å; F404-M445 HydrophobicContact CE2-CE 4.03Å; F404-M445 HydrophobicContact CE2-CG 4.37Å; F404-M445 HydrophobicContact CZ-CB 3.74Å; F404-M445 HydrophobicContact CZ-CE 4.19Å; F404-M445 HydrophobicContact CZ-CG 3.79Å; F407-M445 HydrophobicContact CD2-CG 4.37Å; F407-M445 HydrophobicContact CE2-CG 3.34Å; F407-M445 HydrophobicContact CE2-SD 3.67Å; F407-M445 HydrophobicContact CZ-CG 3.51Å; F407-M445 HydrophobicContact CZ-SD 3.57Å; F407-M445 VanDerWaalsContact CZ-SD 3.57Å; S441-M445 WeakPolarHBondContact O-CB 3.45Å; S441-M445 WeakPolarHBondContact O-CG 3.34Å; S441-M445 PolarHBondContact O-N 3.22Å; I442-M445 PolarHBondContact O-N 3.33Å; M445-G447 PolarHBondContact O-N 3.41Å; M445-S448 VanDerWaalsContact O-CB 3.26Å; M445-S448 WeakPolarHBondContact O-CB 3.17Å; M445-S448 PolarHBondContact O-N 2.88Å; M445-S448 VanDerWaalsContact O-N 3.12Å; M445-S448 PolarHBondContact O-OG 3.13Å; M445-L450 HydrophobicContact CE-CD1 3.86Å; M445-L455 HydrophobicContact CE-CD1 4.14Å; M445-V457 HydrophobicContact CB-CB 4.48Å; M445-V457 HydrophobicContact CB-CG2 3.84Å; M445-V457 WeakPolarHBondContact O-CG2 3.44Å |
| 446 | N | 89.5 | Confident | 88 | Confident | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 122.4 | 178.2 | -167.5 | 26 | 0 | 0 | 0 | 110.6 | I442 S448 Q456 V457 | I442-N446 WeakPolarHBondContact O-CB 3.39Å; I442-N446 PolarHBondContact O-N 3.41Å; N446-S448 VanDerWaalsContact C-N 3.32Å; N446-Q456 WeakPolarHBondContact OD1-CA 3.37Å; N446-V457 HydrophobicContact CB-CB 3.98Å; N446-V457 VanDerWaalsContact CG-O 3.26Å; N446-V457 PolarHBondContact OD1-N 3.06Å; N446-V457 PolarHBondContact OD1-O 3.37Å |
| 447 | G | 85.9 | Confident | 88 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -5.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | M445 R454 L455 | M445-G447 PolarHBondContact O-N 3.41Å; G447-R454 PolarHBondContact O-NH1 2.91Å; G447-L455 WeakPolarHBondContact CA-O 3.08Å; G447-L455 PolarHBondContact N-O 3.21Å |
| 448 | S | 85.8 | Confident | 87.9 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | trans | -61.4 | 141.1 | -179.7 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | M445 N446 L450 R454 L455 | M445-S448 VanDerWaalsContact O-CB 3.26Å; M445-S448 WeakPolarHBondContact O-CB 3.17Å; M445-S448 PolarHBondContact O-N 2.88Å; M445-S448 VanDerWaalsContact O-N 3.12Å; M445-S448 PolarHBondContact O-OG 3.13Å; N446-S448 VanDerWaalsContact C-N 3.32Å; S448-L450 WeakPolarHBondContact OG-CD1 3.23Å; S448-R454 CarbonylContact O-C 3.53Å; S448-R454 VanDerWaalsContact O-CA 3.29Å; S448-R454 WeakPolarHBondContact O-CA 3.31Å; S448-L455 PolarHBondContact O-N 3.5Å | ||
| 449 | L | 82.6 | Confident | 87.9 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 55% | 0.55 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 108.2 | -175.5 | -94.1 | 158.6 | 0 | 0 | 0 | 111.4 | R453 R454 | L449-R453 WeakPolarHBondContact CA-O 3.44Å; L449-R454 HydrophobicContact CD2-CG 3.98Å; L449-R454 HydrophobicContact CG-CG 3.96Å |
| 450 | L | 77.1 | Confident | 87.6 | Confident | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.6 | 175.1 | -75.9 | 115.8 | 0 | 0 | 0 | 110.9 | M395 L403 M445 S448 G452 R453 L455 | M395-L450 HydrophobicContact CE-CB 3.91Å; M395-L450 HydrophobicContact CE-CD2 3.84Å; L403-L450 HydrophobicContact CD1-CD2 4.02Å; L403-L450 HydrophobicContact CD2-CD1 3.92Å; L403-L450 HydrophobicContact CD2-CD2 3.51Å; L403-L450 HydrophobicContact CD2-CG 4.38Å; L403-L450 HydrophobicContact CG-CD2 4.43Å; M445-L450 HydrophobicContact CE-CD1 3.86Å; S448-L450 WeakPolarHBondContact OG-CD1 3.23Å; L450-G452 PolarHBondContact O-N 3.23Å; L450-R453 PolarHBondContact N-O 2.67Å; L450-R453 WeakPolarHBondContact O-CB 3.42Å; L450-R453 PolarHBondContact O-N 3.33Å; L450-L455 HydrophobicContact CD1-CD1 3.65Å; L450-L455 HydrophobicContact CD1-CG 3.87Å |
| 451 | S | 71.6 | Confident | 87.2 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40.8 | -175.5 | -53.3 | 0 | 0 | 0 | 0 | 113.3 | R453 | S451-R453 PolarHBondContact O-N 2.92Š|
| 452 | G | 79.3 | Confident | 86 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -1.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L450 | L450-G452 PolarHBondContact O-N 3.23Š|
| 453 | R | 81.4 | Confident | 84.6 | Confident | 104 Ų | 104 | 84 Ų | 84 | 39% | 0.392 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135.6 | 179.3 | -63.7 | -175.9 | 179.3 | 89.8 | 0.1 | 110.3 | L449 L450 S451 | L449-R453 WeakPolarHBondContact CA-O 3.44Å; L450-R453 PolarHBondContact N-O 2.67Å; L450-R453 WeakPolarHBondContact O-CB 3.42Å; L450-R453 PolarHBondContact O-N 3.33Å; S451-R453 PolarHBondContact O-N 2.92Å |
| 454 | R | 85.4 | Confident | 82.9 | Confident | 150 Ų | 150 | 82 Ų | 82 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 117.4 | 167.9 | -71.2 | -174.6 | -179.4 | -81.8 | 6.2 | 109.4 | N391 G447 S448 L449 | N391-R454 VanDerWaalsContact CB-O 3.31Å; N391-R454 WeakPolarHBondContact CB-O 3.35Å; N391-R454 PolarHBondContact ND2-O 3.39Å; G447-R454 PolarHBondContact O-NH1 2.91Å; S448-R454 CarbonylContact O-C 3.53Å; S448-R454 VanDerWaalsContact O-CA 3.29Å; S448-R454 WeakPolarHBondContact O-CA 3.31Å; L449-R454 HydrophobicContact CD2-CG 3.98Å; L449-R454 HydrophobicContact CG-CG 3.96Å |
| 455 | L | 91.2 | Very high | 80.6 | Confident | 3 Ų | 3 | 84.6 Ų | 84.6 | 2% | 0.016 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 142.8 | 168.8 | -65.9 | -167.9 | 0 | 0 | 0 | 109.8 | I389 I392 L403 F404 M445 G447 S448 L450 V457 | I389-L455 HydrophobicContact CG2-CD1 4.05Å; I389-L455 HydrophobicContact CG2-CD2 4.26Å; I392-L455 HydrophobicContact CG2-CD2 4.04Å; L403-L455 HydrophobicContact CD2-CD1 4.48Å; F404-L455 HydrophobicContact CE2-CD1 4.16Å; F404-L455 HydrophobicContact CZ-CD1 4.21Å; M445-L455 HydrophobicContact CE-CD1 4.14Å; G447-L455 WeakPolarHBondContact CA-O 3.08Å; G447-L455 PolarHBondContact N-O 3.21Å; S448-L455 PolarHBondContact O-N 3.5Å; L450-L455 HydrophobicContact CD1-CD1 3.65Å; L450-L455 HydrophobicContact CD1-CG 3.87Å; L455-V457 HydrophobicContact CB-CG2 3.98Å |
| 456 | Q | 90.6 | Very high | 78 | Confident | 114 Ų | 114 | 96.1 Ų | 96.1 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121.2 | 165.5 | -71.8 | 176.6 | -10.2 | 0 | 0 | 107.4 | I389 Y390 N446 | I389-Q456 CarbonylContact C-O 3.55Å; I389-Q456 WeakPolarHBondContact CA-O 3.22Å; Y390-Q456 PolarHBondContact N-O 3.14Å; Y390-Q456 PolarHBondContact O-N 3.42Å; N446-Q456 WeakPolarHBondContact OD1-CA 3.37Å |
| 457 | V | 93.2 | Very high | 75.5 | Confident | 2 Ų | 2 | 97.7 Ų | 97.7 | 1% | 0.012 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125 | -170.8 | -170.1 | 0 | 0 | 0 | 0 | 108.3 | V387 Y388 I389 F404 I442 M445 N446 L455 | V387-V457 HydrophobicContact CG1-CG1 3.34Å; Y388-V457 WeakPolarHBondContact O-CA 3.46Å; I389-V457 HydrophobicContact CG1-CG1 4.42Å; I389-V457 HydrophobicContact CG2-CG2 4.26Å; F404-V457 HydrophobicContact CE1-CG1 4.01Å; F404-V457 HydrophobicContact CZ-CG1 4.41Å; F404-V457 HydrophobicContact CZ-CG2 4.18Å; I442-V457 HydrophobicContact CB-CG1 4.46Å; I442-V457 HydrophobicContact CG1-CG1 3.92Å; M445-V457 HydrophobicContact CB-CB 4.48Å; M445-V457 HydrophobicContact CB-CG2 3.84Å; M445-V457 WeakPolarHBondContact O-CG2 3.44Å; N446-V457 HydrophobicContact CB-CB 3.98Å; N446-V457 VanDerWaalsContact CG-O 3.26Å; N446-V457 PolarHBondContact OD1-N 3.06Å; N446-V457 PolarHBondContact OD1-O 3.37Å; L455-V457 HydrophobicContact CB-CG2 3.98Å |
| 458 | S | 91.9 | Very high | 73.4 | Confident | 52 Ų | 52 | 105.6 Ų | 105.6 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 169 | -175.5 | 72.3 | 0 | 0 | 0 | 0 | 112 | V387 Y388 | V387-S458 CarbonylContact C-O 3.58Å; V387-S458 WeakPolarHBondContact CA-O 3.25Å; Y388-S458 PolarHBondContact N-O 3.39Å; Y388-S458 PolarHBondContact O-N 3.2Å |
| 459 | F | 93 | Very high | 71.2 | Confident | 57 Ų | 57 | 114.9 Ų | 114.9 | 25% | 0.25 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -64 | 136.9 | 170.7 | -74.2 | -63.2 | 0 | 0 | 0 | 111.9 | S384 F435 A438 Q439 I442 Q461 | S384-F459 WeakPolarHBondContact O-CD1 3.19Å; S384-F459 WeakPolarHBondContact O-CE1 3.35Å; S384-F459 WeakPolarHBondContact OG-CB 3.4Å; S384-F459 VanDerWaalsContact OG-CD1 3.3Å; S384-F459 WeakPolarHBondContact OG-CD1 3.35Å; F435-F459 AromaticContact CD2-CE1 3.97Å; F435-F459 HydrophobicContact CD2-CE1 3.97Å; F435-F459 HydrophobicContact CD2-CZ 4.15Å; F435-F459 HydrophobicContact CE2-CD1 4.39Å; F435-F459 AromaticContact CE2-CE1 3.44Å; F435-F459 HydrophobicContact CE2-CE1 3.44Å; F435-F459 VanDerWaalsContact CE2-CE1 3.44Å; F435-F459 HydrophobicContact CE2-CE2 4.11Å; F435-F459 AromaticContact CE2-CZ 3.27Å; F435-F459 HydrophobicContact CE2-CZ 3.27Å; F435-F459 HydrophobicContact CZ-CE1 4.32Å; F435-F459 HydrophobicContact CZ-CE2 4.31Å; F435-F459 AromaticContact CZ-CZ 3.7Å; F435-F459 HydrophobicContact CZ-CZ 3.7Å; A438-F459 HydrophobicContact CB-CE1 3.9Å; Q439-F459 HydrophobicContact CB-CZ 4.22Å; Q439-F459 VanDerWaalsContact OE1-CE2 3.25Å; Q439-F459 VanDerWaalsContact OE1-CZ 3.25Å; I442-F459 HydrophobicContact CD1-CB 4.46Å; I442-F459 HydrophobicContact CD1-CD1 3.52Å; I442-F459 HydrophobicContact CD1-CD2 3.69Å; I442-F459 HydrophobicContact CD1-CE1 3.47Å; I442-F459 VanDerWaalsContact CD1-CE1 3.47Å; I442-F459 HydrophobicContact CD1-CE2 3.63Å; I442-F459 HydrophobicContact CD1-CG 3.63Å; I442-F459 HydrophobicContact CD1-CZ 3.52Å; F459-Q461 PolarHBondContact O-N 3.03Å |
| 460 | R | 88.4 | Confident | 68.8 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 41% | 0.408 | 58% | 0.578 | S | S | . | * | trans | -71.1 | 103.3 | -179.6 | -177.9 | -174.5 | -174.1 | -163.4 | 4.2 | 109.7 | S386 F429 S462 | S386-R460 WeakPolarHBondContact O-CB 3.41Å; S386-R460 PolarHBondContact O-N 3.4Å; F429-R460 HydrophobicContact CD1-CB 4.46Å; F429-R460 HydrophobicContact CD1-CG 3.75Å; F429-R460 HydrophobicContact CE1-CG 3.79Å; R460-S462 PolarHBondContact O-N 2.71Å; R460-S462 VanDerWaalsContact O-N 3.11Å | ||
| 461 | Q | 83.4 | Confident | 66.7 | Low | 180 Ų | 180 | 117.5 Ų | 117.5 | 84% | 0.841 | 61% | 0.611 | S | S | * | * | trans | -48.5 | 119.4 | 171.7 | -67.6 | -177.6 | -9.2 | 0 | 0 | 111.1 | F459 K463 | F459-Q461 PolarHBondContact O-N 3.03Å; Q461-K463 PolarHBondContact O-N 3.31Å | ||
| 462 | S | 70.1 | Confident | 65.3 | Low | 118 Ų | 118 | 120.4 Ų | 120.4 | 83% | 0.825 | 62% | 0.618 | S | S | * | * | trans | -64.2 | 127 | 171.5 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | R460 G464 | R460-S462 PolarHBondContact O-N 2.71Å; R460-S462 VanDerWaalsContact O-N 3.11Å; S462-G464 PolarHBondContact O-N 3.04Å | ||
| 463 | K | 62.6 | Low | 63 | Low | 200 Ų | 200 | 122.2 Ų | 122.2 | 87% | 0.87 | 62% | 0.62 | S | S | * | * | trans | -65.3 | 103.1 | 178.6 | -78.1 | -163.7 | 173.7 | -168.4 | 0 | 109.7 | Q461 K465 | Q461-K463 PolarHBondContact O-N 3.31Å; K463-K465 PolarHBondContact O-N 3.44Å | ||
| 464 | G | 54.8 | Low | 60.8 | Low | 60 Ų | 60 | 123 Ų | 123 | 62% | 0.619 | 64% | 0.642 | S | S | * | * | trans | -47.5 | 132.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S462 W466 | S462-G464 PolarHBondContact O-N 3.04Å; G464-W466 PolarHBondContact O-N 3.24Å; G464-W466 VanDerWaalsContact O-N 3.07Å | ||
| 465 | K | 42.8 | Very low | 58.6 | Low | 162 Ų | 162 | 120.9 Ų | 120.9 | 70% | 0.704 | 65% | 0.65 | S | S | * | * | trans | -60.4 | 116.1 | -179.3 | -66.3 | 167.3 | -175.3 | 162.8 | 0 | 107.7 | K463 T467 | K463-K465 PolarHBondContact O-N 3.44Å; K465-T467 PolarHBondContact O-N 2.9Å | ||
| 466 | W | 37.1 | Very low | 55.9 | Low | 253 Ų | 253 | 128.4 Ų | 128.4 | 96% | 0.958 | 69% | 0.69 | S | S | * | * | trans | -57.5 | 101.5 | 173 | -92.7 | 29.3 | 0 | 0 | 0 | 110 | G464 K468 | G464-W466 PolarHBondContact O-N 3.24Å; G464-W466 VanDerWaalsContact O-N 3.07Å; W466-K468 PolarHBondContact O-N 3.07Å | ||
| 467 | T | 37 | Very low | 53.3 | Low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | -77.2 | 105.2 | 164.7 | 41 | 0 | 0 | 0 | 0 | 107.2 | K465 Y469 | K465-T467 PolarHBondContact O-N 2.9Å; T467-Y469 PolarHBondContact O-N 3.21Å | ||
| 468 | K | 41.3 | Very low | 50.7 | Low | 194 Ų | 194 | 137.2 Ų | 137.2 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -80.1 | 59.6 | -175.3 | -163.8 | -165.2 | 173.7 | -169.9 | 0 | 111.8 | W466 | W466-K468 PolarHBondContact O-N 3.07Š| ||
| 469 | Y | 39.4 | Very low | 47.8 | Very low | 222 Ų | 222 | 143.2 Ų | 143.2 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | -155 | 145.6 | 171 | -89.7 | -72.4 | 0 | 0 | 0 | 109.5 | T467 | T467-Y469 PolarHBondContact O-N 3.21Š| ||
| 470 | G | 33.6 | Very low | 45.1 | Very low | 68 Ų | 68 | 150.1 Ų | 150.1 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | 79.8 | 103.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115 | L472 | G470-L472 PolarHBondContact O-N 3Š| ||
| 471 | S | 32.5 | Very low | 42.6 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -79.7 | 102.6 | 155.2 | 173.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 472 | L | 41.6 | Very low | 40.5 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -134.7 | 127.3 | 169.9 | -97.2 | 149.8 | 0 | 0 | 0 | 108.6 | G470 | G470-L472 PolarHBondContact O-N 3Š| ||
| 473 | S | 30.8 | Very low | 39.2 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -69.6 | 136.9 | -179.5 | 40.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 474 | S | 35.9 | Very low | 38.2 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -118.1 | 95.6 | 155.1 | -61.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 475 | S | 38.5 | Very low | 37.8 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 147.2 | 175.7 | 29.3 | 0 | 0 | 0 | 0 | 110.6 | T477 | S475-T477 PolarHBondContact O-N 3.23Š|
| 476 | N | 35.9 | Very low | 37.7 | Very low | 160 Ų | 160 | 151 Ų | 151 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 131.4 | 171.8 | -73.1 | -22.1 | 0 | 0 | 0 | 109.8 | L478 | N476-L478 PolarHBondContact O-N 2.99Š|
| 477 | T | 35 | Very low | 37.9 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 124.4 | 160.9 | -52.8 | 0 | 0 | 0 | 0 | 108.7 | S475 | S475-T477 PolarHBondContact O-N 3.23Š|
| 478 | L | 38.3 | Very low | 38.3 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -109.1 | 125.8 | 168.4 | -163.3 | 79 | 0 | 0 | 0 | 108.2 | N476 | N476-L478 PolarHBondContact O-N 2.99Š| ||
| 479 | E | 32.1 | Very low | 38.9 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -77.8 | 132.6 | -178.1 | -59.6 | -178.4 | 122.4 | 0 | 0 | 112 | ||||
| 480 | K | 35.1 | Very low | 39.4 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -158.1 | 131.4 | 137.9 | -139.5 | 163.9 | -176.4 | 174.9 | 0 | 111.7 | ||||
| 481 | P | 36 | Very low | 39.8 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -94.8 | 156.7 | -177.5 | 36.4 | -35.3 | 0 | 0 | 0 | 113.2 | ||||
| 482 | A | 40.1 | Very low | 40.6 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | 172.8 | 126.9 | 123.7 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 483 | S | 42.5 | Very low | 40.6 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 82.7 | 138.9 | 135.8 | 81.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 484 | K | 42.6 | Very low | 41 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 74.8 | 109.4 | 156.8 | -65.7 | 177.2 | -175.3 | 178.5 | 0 | 117.8 | ||||
| 485 | Q | 46.3 | Very low | 41.4 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | 88.2 | 143.2 | 90 | -79.7 | 169.7 | -11.8 | 0 | 0 | 112.5 | |||||
| 486 | K | 40.5 | Very low | 41.2 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | cis | -164.3 | 154.5 | -6.3 | 169.5 | -174.8 | 173.8 | -167.4 | 0 | 108.5 | ||||
| 487 | G | 40 | Very low | 41.6 | Very low | 60 Ų | 60 | 136.5 Ų | 136.5 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | trans | 128.4 | 107 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 488 | D | 46.9 | Very low | 41.7 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | 70.5 | 123.3 | 54.3 | -46.4 | -39.2 | 0 | 0 | 0 | 110.1 | |||||
| 489 | I | 52.6 | Low | 41.7 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | cis | -145.3 | 156.1 | 21.1 | -63.6 | 171.8 | 0 | 0 | 0 | 110.6 | ||||
| 490 | P | 50.4 | Low | 42 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -117.2 | -179.2 | -176.8 | 43.2 | -34.2 | 0 | 0 | 0 | 117.7 | ||||
| 491 | D | 43.4 | Very low | 42.4 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | 96.5 | 162.4 | 144.7 | -147 | 9.2 | 0 | 0 | 0 | 121.1 | ||||
| 492 | S | 48.9 | Very low | 42.7 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 75.6 | 137.5 | -168.6 | 75.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 493 | G | 41 | Very low | 42.8 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | cis | 165.6 | 164.3 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 494 | C | 40.2 | Very low | 42.9 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | 77.6 | 99.9 | 162 | -138.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 495 | H | 42.8 | Very low | 42.8 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | 38.3 | 126.1 | 128.8 | -68.9 | -77.3 | 0 | 0 | 0 | 124.2 | |||||
| 496 | S | 35.5 | Very low | 42.7 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -75.5 | 162.9 | 139.4 | -34.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 497 | P | 43.5 | Very low | 42.8 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | -158.1 | 159.3 | 85.8 | 42.5 | -23.5 | 0 | 0 | 0 | 119.2 | |||||
| 498 | Q | 36.9 | Very low | 42.6 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | 56.1 | 149.2 | 137.2 | -80.1 | -166.2 | -32.2 | 0 | 0 | 126.2 | ||||
| 499 | L | 39.2 | Very low | 42.3 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 65.8 | 150.6 | 156.2 | -90.2 | 70.1 | 0 | 0 | 0 | 118.2 | ||||
| 500 | S | 38 | Very low | 41.6 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | cis | -174 | 146.2 | -30.1 | 45.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 501 | S | 42.5 | Very low | 41.1 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | 73.8 | 157.2 | 151 | -143.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 502 | E | 42.9 | Very low | 40.9 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 63.8 | 151.8 | 162.1 | -67.6 | -157.3 | 104.4 | 0 | 0 | 119.6 | ||||
| 503 | K | 42.1 | Very low | 40.5 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | cis | -168.4 | 158 | -35.7 | -140.6 | -172.8 | 167.2 | -178.3 | 0 | 109.8 | ||||
| 504 | L | 45.2 | Very low | 40.4 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | 71 | 140.7 | 154.4 | -67.1 | 176.5 | 0 | 0 | 0 | 122.2 | ||||
| 505 | D | 40 | Very low | 40.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | trans | 70.7 | 97.4 | 138.6 | -54.9 | -16.2 | 0 | 0 | 0 | 124.7 | ||||
| 506 | V | 43.9 | Very low | 40.3 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | 37.1 | 113.3 | 118.4 | -172.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 507 | A | 41.9 | Very low | 40.3 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | 176.5 | 132.8 | 114.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 508 | N | 36.7 | Very low | 40.1 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | 60.7 | 164.9 | 140.8 | -62.1 | -19.2 | 0 | 0 | 0 | 123.4 | ||||
| 509 | I | 40.7 | Very low | 40.3 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | trans | 81.8 | 95.8 | 165.1 | -55.9 | 157 | 0 | 0 | 0 | 117.2 | ||||
| 510 | L | 37.1 | Very low | 40.5 | Very low | 164 Ų | 164 | 134 Ų | 134 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | trans | -79.1 | 149.5 | 142.1 | -95.9 | 163.3 | 0 | 0 | 0 | 108.4 | ||||
| 511 | P | 39.9 | Very low | 40.8 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | -149.8 | 179.2 | 82.6 | 40.4 | -21.7 | 0 | 0 | 0 | 117 | |||||
| 512 | S | 39.3 | Very low | 40.7 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | -56.1 | 159.3 | 176.8 | -40.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 513 | N | 40.3 | Very low | 40.5 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | 178.5 | 151.7 | 111.4 | -88.2 | -23.1 | 0 | 0 | 0 | 115.5 | |||||
| 514 | N | 38.9 | Very low | 40.4 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 52.7 | 118.9 | 152.9 | -61.6 | -19.3 | 0 | 0 | 0 | 121.9 | ||||
| 515 | L | 43.2 | Very low | 40.3 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | 160.9 | 148.9 | 105.9 | -97.6 | 124.1 | 0 | 0 | 0 | 110.2 | |||||
| 516 | Q | 38.9 | Very low | 40.2 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | cis | -155.8 | 160.4 | -41.3 | -171.5 | 160.3 | -23.3 | 0 | 0 | 107.4 | ||||
| 517 | V | 34.5 | Very low | 40.2 | Very low | 132 Ų | 132 | 140 Ų | 140 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -98.2 | -178.4 | -172.2 | -71.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 518 | S | 40.7 | Very low | 40 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | 90.1 | 149.6 | 169.8 | -65.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 519 | E | 41 | Very low | 40.4 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | cis | 179.6 | -175.5 | -32.3 | -123.7 | 174.5 | 135.2 | 0 | 0 | 109.2 | ||||
| 520 | T | 42.9 | Very low | 40.4 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 91.8 | 145.3 | 147.2 | -12.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 521 | I | 43.8 | Very low | 40.4 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 97 | 128.6 | 158 | -54.4 | -175.7 | 0 | 0 | 0 | 118.4 | ||||
| 522 | E | 39.8 | Very low | 40.6 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -113.8 | 168.6 | -179.2 | -55.7 | 177.7 | 111.6 | 0 | 0 | 112.7 | ||||
| 523 | A | 39.5 | Very low | 40.7 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | 51.3 | 94.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 524 | L | 40.2 | Very low | 41 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 98% | 0.979 | 81% | 0.807 | S | S | * | * | trans | -142.3 | 154.4 | 138.7 | -68.9 | 178.4 | 0 | 0 | 0 | 107.2 | ||||
| 525 | G | 42.6 | Very low | 41.1 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | cis | 174.3 | 141.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 526 | N | 37.3 | Very low | 41.3 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | trans | -67.1 | 139.8 | -168.5 | -68.3 | -30.2 | 0 | 0 | 0 | 114.4 | ||||
| 527 | L | 44.3 | Very low | 41.5 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | trans | -134.6 | 143.9 | 152.8 | -86.5 | 176 | 0 | 0 | 0 | 110.7 | ||||
| 528 | N | 38.1 | Very low | 42.3 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | -135.6 | 124.6 | -165.9 | 169.5 | 31.6 | 0 | 0 | 0 | 110 | ||||
| 529 | I | 45.6 | Very low | 42.6 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -139.7 | 140 | 168.7 | -57.2 | -177.8 | 0 | 0 | 0 | 108.1 | ||||
| 530 | S | 39.5 | Very low | 43.3 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 57% | 0.566 | 85% | 0.849 | S | S | * | * | trans | -118.2 | -175.5 | -163.8 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 531 | N | 37.4 | Very low | 43.3 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 85% | 0.852 | S | S | * | * | trans | 92.9 | 132.8 | 165 | -48 | -17.2 | 0 | 0 | 0 | 116.1 | ||||
| 532 | G | 45 | Very low | 43.3 | Very low | 83 Ų | 83 | 143.2 Ų | 143.2 | 86% | 0.856 | 85% | 0.854 | S | S | * | * | trans | 155 | 48.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 533 | S | 41.1 | Very low | 43.5 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 86% | 0.855 | S | S | * | * | trans | -80.2 | 142 | 179.9 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 534 | N | 45.6 | Very low | 43.7 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 90% | 0.904 | 86% | 0.861 | S | S | * | * | trans | -162.4 | 149.7 | 145.8 | -107.5 | -39.6 | 0 | 0 | 0 | 112.5 | ||||
| 535 | M | 42.7 | Very low | 43.9 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 91% | 0.906 | 85% | 0.854 | S | S | * | * | trans | -105.2 | 157.7 | 178.6 | -47.4 | 177.8 | -164.3 | 0 | 0 | 111.2 | ||||
| 536 | A | 47.5 | Very low | 44 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 85% | 0.851 | 86% | 0.864 | S | S | * | * | trans | -169 | 149.2 | 137.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 537 | S | 42.4 | Very low | 44.5 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 84% | 0.839 | 86% | 0.86 | S | S | * | * | trans | -130.5 | 147.2 | -176.2 | -49.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 538 | S | 51.2 | Low | 44.5 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 85% | 0.853 | S | S | * | * | trans | -163.8 | 130.4 | 151.9 | -82.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 539 | K | 48 | Very low | 45 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 84% | 0.843 | 86% | 0.861 | S | S | * | * | 61.4 | 135.9 | 73 | -66.5 | -172.6 | 178.7 | -176.3 | 0 | 112 | |||||
| 540 | V | 54.2 | Low | 45 | Very low | 216 Ų | 216 | 138.7 Ų | 138.7 | 100% | 1.309 | 86% | 0.859 | S | S | * | * | cis | -105.7 | 0 | 10.9 | 176.4 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 540 of 540 residues in 696.3 ms
(Link to these results)