A0A3Q0KI52_SCHMA Loading...

Eukaryotic translation initiation factor 3 subunit 5 (M67 family)

AlphaFold DB , UniProt , Accession A0A3Q0KI52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 273 aa.

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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
1M29.8Very low71.7Confident245 Ų24557.9 Ų57.9100%1.20735%0.35SS*.  090.70-69.6-177.1174.600105.8
2E40.4Very low73.4Confident138 Ų13858 Ų5865%0.64535%0.35SS*.  cis-84.4157.815.2-63.416915400113.3
3S45.2Very low74.9Confident74 Ų7453.5 Ų53.552%0.51732%0.323SS..  trans-55146.6-171-42.50000113.1S5S3-S5 PolarHBondContact O-N 3.43Å
4G53.6Low76.1Confident79 Ų7951.6 Ų51.681%0.81431%0.31SS*.  trans-53.7110.7167.800000108.2A6G4-A6 PolarHBondContact O-N 3.08Å
5S72.2Confident77Confident27 Ų2752.3 Ų52.319%0.18932%0.324CS..  trans-69.7119-179.4-64.60000107.6S3 G42 V152S3-S5 PolarHBondContact O-N 3.43Å; S5-G42 WeakPolarHBondContact CA-O 3.38Å; S5-V152 WeakPolarHBondContact O-CG1 3.35Å
6A86.5Confident78Confident24 Ų2451.3 Ų51.320%0.19832%0.319CS..EExtended strand (participates in β ladder)trans-93.2141.7163.200000107.9G4 G42 I43 I44G4-A6 PolarHBondContact O-N 3.08Å; A6-G42 PolarHBondContact N-O 3.25Å; A6-I43 WeakPolarHBondContact O-CA 3.37Å; A6-I44 PolarHBondContact O-N 2.78Å
7V90.9Very high78.8Confident2 Ų248.2 Ų48.21%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-109.9115.4175.9-1780000108.2V9 I44 V46 I114 A132 V152 E153 V154 E155V7-V9 HydrophobicContact CG1-CG2 3.8Å; V7-I44 WeakPolarHBondContact CA-O 3.34Å; V7-V46 HydrophobicContact CG1-CG2 3.89Å; V7-I114 HydrophobicContact CG1-CD1 4.13Å; V7-I114 HydrophobicContact CG2-CD1 3.69Å; V7-I114 HydrophobicContact CG2-CG1 4.3Å; V7-I114 HydrophobicContact CG2-CG2 4.44Å; V7-A132 HydrophobicContact CB-CB 4.44Å; V7-A132 HydrophobicContact CG2-CB 4.21Å; V7-V152 HydrophobicContact CB-CG1 4.46Å; V7-V152 HydrophobicContact CG2-CG1 3.64Å; V7-E153 PolarHBondContact N-O 3.24Å; V7-E153 VanDerWaalsContact N-O 3.07Å; V7-V154 WeakPolarHBondContact O-CA 3.44Å; V7-E155 PolarHBondContact O-N 3.4Å
8H92.7Very high79.4Confident25 Ų2548.6 Ų48.612%0.11630%0.302CS..EExtended strand (participates in β ladder)trans-95.3120.5171.5-59.7-40.5000108.6I43 I44 V46 E155 E157H8-I43 WeakPolarHBondContact CD2-CG2 3.47Å; H8-I43 VanDerWaalsContact NE2-CG2 3.3Å; H8-I43 WeakPolarHBondContact NE2-CG2 3.36Å; H8-I44 PolarHBondContact N-O 2.91Å; H8-V46 PolarHBondContact O-N 3.45Å; H8-E155 CarbonylContact C-O 3.54Å; H8-E155 VanDerWaalsContact CA-O 3.3Å; H8-E155 WeakPolarHBondContact CA-O 3.22Å; H8-E155 IonicContact CE1-OE2 3.45Å; H8-E155 PolarHBondContact CE1-OE2 3.12Å; H8-E155 IonicContact ND1-OE2 3.29Å; H8-E157 HydrophobicContact CB-CB 4.11Å; H8-E157 IonicContact CD2-OE2 3.8Å; H8-E157 PolarHBondContact CD2-OE2 2.94Å; H8-E157 IonicContact CG-OE2 2.91Å
9V92.9Very high80Confident0 Ų049.2 Ų49.20%030%0.303CS..EExtended strand (participates in β ladder)trans-112126.8-178.7-178.10000109.1V7 V13 L14 V46 L116 V154 E155 V156 E157V7-V9 HydrophobicContact CG1-CG2 3.8Å; V9-V13 HydrophobicContact CG1-CB 3.93Å; V9-V13 HydrophobicContact CG1-CG1 4.03Å; V9-L14 HydrophobicContact CG1-CD2 4.24Å; V9-L14 HydrophobicContact CG1-CG 4.19Å; V9-V46 HydrophobicContact CG2-CB 4.46Å; V9-V46 HydrophobicContact CG2-CG2 4.41Å; V9-L116 HydrophobicContact CG2-CD1 4.45Å; V9-V154 HydrophobicContact CB-CG1 4.44Å; V9-V154 HydrophobicContact CG2-CG1 3.77Å; V9-E155 PolarHBondContact N-O 3.08Å; V9-V156 VanDerWaalsContact O-CA 3.31Å; V9-V156 WeakPolarHBondContact O-CA 3.42Å; V9-E157 PolarHBondContact O-N 3.34Å; V9-E157 VanDerWaalsContact O-N 3.13Å
10H92.8Very high80.5Confident1 Ų147.6 Ų47.61%0.00529%0.294CS..  trans-74.8145.5174.1-78.5-95000112V12 V13 E45 V46 E157 Y159 E162H10-V12 PolarHBondContact O-N 3.45Å; H10-V12 VanDerWaalsContact O-N 3.15Å; H10-V13 HydrophobicContact CB-CG2 4.43Å; H10-V13 VanDerWaalsContact O-CB 3.32Å; H10-V13 WeakPolarHBondContact O-CB 3.49Å; H10-V13 PolarHBondContact O-N 2.89Å; H10-E45 IonicContact NE2-OE1 3.81Å; H10-E45 PolarHBondContact NE2-OE1 3.2Å; H10-V46 PolarHBondContact CD2-O 2.88Å; H10-V46 PolarHBondContact N-O 3.33Å; H10-V46 VanDerWaalsContact N-O 3.07Å; H10-E157 WeakPolarHBondContact CA-O 3.26Å; H10-E157 PolarHBondContact ND1-O 3.1Å; H10-Y159 AromaticContact CE1-CD1 3.99Å; H10-Y159 AromaticContact CE1-CD2 3.53Å; H10-Y159 AromaticContact CE1-CE1 3.66Å; H10-Y159 AromaticContact CE1-CE2 3.2Å; H10-Y159 WeakPolarHBondContact CE1-CE2 3.48Å; H10-Y159 AromaticContact CE1-CG 3.92Å; H10-Y159 AromaticContact CE1-CZ 3.26Å; H10-Y159 AromaticContact ND1-CD2 3.74Å; H10-Y159 AromaticContact ND1-CE2 3.65Å; H10-Y159 AromaticContact NE2-CE2 3.9Å; H10-Y159 AromaticContact NE2-CZ 3.67Å; H10-E162 IonicContact CE1-OE2 3.51Å; H10-E162 IonicContact CG-OE2 2.62Å; H10-E162 IonicContact ND1-OE1 3.01Å; H10-E162 IonicContact ND1-OE2 2.67Å; H10-E162 PolarHBondContact ND1-OE2 3.46Å
11P91.3Very high80.9Confident22 Ų2247.2 Ų47.214%0.14329%0.288CS..Hα-helixtrans-59.9-28.2178.926-36.6000112.6V13 L14 A15 E157 C158 E162 V166P11-V13 PolarHBondContact O-N 2.92Å; P11-L14 PolarHBondContact O-N 3.25Å; P11-A15 PolarHBondContact O-N 3.25Å; P11-E157 WeakPolarHBondContact CD-O 3.39Å; P11-C158 HydrophobicContact CG-CB 4.44Å; P11-E162 HydrophobicContact CG-CB 4.41Å; P11-V166 HydrophobicContact CB-CG2 3.98Å; P11-V166 HydrophobicContact CG-CG2 4Å
12V92.3Very high83.7Confident59 Ų5942.8 Ų42.836%0.35826%0.264SS..Hα-helixtrans-58.5-36.9175179.30000111.8H10 S16 E162H10-V12 PolarHBondContact O-N 3.45Å; H10-V12 VanDerWaalsContact O-N 3.15Å; V12-S16 WeakPolarHBondContact O-CB 3.42Å; V12-S16 PolarHBondContact O-N 3.37Å; V12-S16 PolarHBondContact O-OG 3.02Å; V12-E162 WeakPolarHBondContact CG2-OE1 3.45Å
13V92.9Very high85.9Confident0 Ų044.8 Ų44.80%027%0.266CS..Hα-helixtrans-65.5-47.3177.1176.90000110V9 H10 P11 A15 S16 I17 L35 V46 C49V9-V13 HydrophobicContact CG1-CB 3.93Å; V9-V13 HydrophobicContact CG1-CG1 4.03Å; H10-V13 HydrophobicContact CB-CG2 4.43Å; H10-V13 VanDerWaalsContact O-CB 3.32Å; H10-V13 WeakPolarHBondContact O-CB 3.49Å; H10-V13 PolarHBondContact O-N 2.89Å; P11-V13 PolarHBondContact O-N 2.92Å; V13-A15 PolarHBondContact O-N 3.47Å; V13-S16 PolarHBondContact O-N 2.9Å; V13-I17 HydrophobicContact CG1-CD1 3.88Å; V13-I17 VanDerWaalsContact O-CG1 3.24Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 3.32Å; V13-L35 HydrophobicContact CG1-CD2 3.95Å; V13-V46 HydrophobicContact CG1-CG1 4.17Å; V13-V46 HydrophobicContact CG2-CG1 3.97Å; V13-V46 WeakPolarHBondContact CG2-O 3.47Å; V13-C49 HydrophobicContact CG1-CB 4.02Å
14L91.6Very high87.7Confident27 Ų2746.3 Ų46.314%0.14126%0.26CS..Hα-helixtrans-63.1-44.5178.9-61.7175.9000111.5V9 P11 S16 I17 V18 I130 V156V9-L14 HydrophobicContact CG1-CD2 4.24Å; V9-L14 HydrophobicContact CG1-CG 4.19Å; P11-L14 PolarHBondContact O-N 3.25Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.47Å; L14-I17 PolarHBondContact O-N 3.37Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 2.96Å; L14-I130 HydrophobicContact CD1-CD1 3.56Å; L14-I130 HydrophobicContact CD2-CD1 3.61Å; L14-I130 HydrophobicContact CD2-CG1 4.12Å; L14-I130 HydrophobicContact CG-CD1 4.25Å; L14-V156 HydrophobicContact CD1-CG2 4.17Å
15A90.2Very high88.9Confident62 Ų6245.6 Ų45.651%0.51225%0.247SC..Hα-helixtrans-58.8-44.2175.400000111.4P11 V13 I17 V18 D19P11-A15 PolarHBondContact O-N 3.25Å; V13-A15 PolarHBondContact O-N 3.47Å; A15-I17 PolarHBondContact O-N 2.94Å; A15-V18 PolarHBondContact O-N 3.46Å; A15-D19 WeakPolarHBondContact O-CB 3.33Å; A15-D19 PolarHBondContact O-N 3.16Å
16S92.9Very high89.1Confident35 Ų3554.2 Ų54.225%0.24528%0.284CS..Hα-helixtrans-65.5-36.1177.8-57.10000112.7V12 V13 L14 A20 C49V12-S16 WeakPolarHBondContact O-CB 3.42Å; V12-S16 PolarHBondContact O-N 3.37Å; V12-S16 PolarHBondContact O-OG 3.02Å; V13-S16 PolarHBondContact O-N 2.9Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.47Å; S16-A20 VanDerWaalsContact O-CB 3.25Å; S16-A20 WeakPolarHBondContact O-CB 3.48Å; S16-A20 PolarHBondContact O-N 3.45Å; S16-C49 VanDerWaalsContact CB-SG 3.55Å
17I92Very high88.5Confident0 Ų056.8 Ų56.80%031%0.313CS..Hα-helixtrans-67.7-45.3176.4-67.5169.6000110.7V13 L14 A15 A20 Y21 Y88 T90 L116 V118V13-I17 HydrophobicContact CG1-CD1 3.88Å; V13-I17 VanDerWaalsContact O-CG1 3.24Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 3.32Å; L14-I17 PolarHBondContact O-N 3.37Å; A15-I17 PolarHBondContact O-N 2.94Å; I17-A20 PolarHBondContact O-N 3.32Å; I17-Y21 WeakPolarHBondContact O-CB 3.46Å; I17-Y21 PolarHBondContact O-N 3.16Å; I17-Y88 HydrophobicContact CB-CE2 4.27Å; I17-Y88 HydrophobicContact CD1-CD1 4.25Å; I17-Y88 HydrophobicContact CD1-CD2 3.91Å; I17-Y88 HydrophobicContact CD1-CE2 4.34Å; I17-Y88 HydrophobicContact CD1-CG 3.85Å; I17-Y88 HydrophobicContact CG1-CD1 4.25Å; I17-Y88 HydrophobicContact CG1-CD2 3.76Å; I17-Y88 HydrophobicContact CG1-CE1 4.14Å; I17-Y88 HydrophobicContact CG1-CE2 3.67Å; I17-Y88 HydrophobicContact CG1-CG 4.05Å; I17-Y88 HydrophobicContact CG2-CD2 4.02Å; I17-Y88 HydrophobicContact CG2-CE2 3.96Å; I17-T90 HydrophobicContact CG2-CG2 3.98Å; I17-L116 HydrophobicContact CD1-CD2 3.99Å; I17-V118 HydrophobicContact CD1-CG2 3.97Å; I17-V118 HydrophobicContact CG2-CB 4.18Å; I17-V118 HydrophobicContact CG2-CG1 4.14Å; I17-V118 HydrophobicContact CG2-CG2 4.24Å
18V88.9Confident87.8Confident54 Ų5458.2 Ų58.233%0.32732%0.323SS..Hα-helixtrans-62.4-46.3176.8172.90000110.5L14 A15 A20 Y21 E22 M128L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 2.96Å; A15-V18 PolarHBondContact O-N 3.46Å; V18-A20 VanDerWaalsContact C-N 3.32Å; V18-A20 PolarHBondContact O-N 3.01Å; V18-Y21 WeakPolarHBondContact O-CA 3.32Å; V18-Y21 WeakPolarHBondContact O-CB 3.5Å; V18-Y21 PolarHBondContact O-N 3.44Å; V18-E22 PolarHBondContact O-N 2.96Å; V18-M128 HydrophobicContact CG2-CE 3.73Å
19D91.2Very high87.2Confident61 Ų6164 Ų6433%0.32635%0.35SS..Hα-helixtrans-61.4-39.4177.6-176.354.9000112.2A15 R23A15-D19 WeakPolarHBondContact O-CB 3.33Å; A15-D19 PolarHBondContact O-N 3.16Å; D19-R23 WeakPolarHBondContact O-CG 3.34Å; D19-R23 PolarHBondContact O-N 3.27Å; D19-R23 IonicContact OD1-CZ 3.95Å; D19-R23 IonicContact OD1-NH1 3.55Å; D19-R23 PolarHBondContact OD1-NH1 3.39Å; D19-R23 IonicContact OD1-NH2 3.44Å; D19-R23 PolarHBondContact OD1-NH2 2.87Å; D19-R23 IonicContact OD2-CZ 2.69Å; D19-R23 IonicContact OD2-NH1 3.52Å; D19-R23 PolarHBondContact OD2-NH1 3.36Å; D19-R23 IonicContact OD2-NH2 3.36Å
20A90.5Very high86.8Confident16 Ų1666.6 Ų66.613%0.13236%0.36CS..Hα-helixtrans-68.5-33.8172.800000112.8S16 I17 V18 V31S16-A20 VanDerWaalsContact O-CB 3.25Å; S16-A20 WeakPolarHBondContact O-CB 3.48Å; S16-A20 PolarHBondContact O-N 3.45Å; I17-A20 PolarHBondContact O-N 3.32Å; V18-A20 VanDerWaalsContact C-N 3.32Å; V18-A20 PolarHBondContact O-N 3.01Å; A20-V31 HydrophobicContact CB-CG1 4.01Å
21Y88.5Confident86.6Confident41 Ų4167 Ų6716%0.16136%0.363CS..Hα-helixtrans-68.8-39.8175.3-176.3-102.4000112.1I17 V18 R23 R24 V31 T90 T120I17-Y21 WeakPolarHBondContact O-CB 3.46Å; I17-Y21 PolarHBondContact O-N 3.16Å; V18-Y21 WeakPolarHBondContact O-CA 3.32Å; V18-Y21 WeakPolarHBondContact O-CB 3.5Å; V18-Y21 PolarHBondContact O-N 3.44Å; Y21-R23 VanDerWaalsContact C-N 3.34Å; Y21-R23 PolarHBondContact O-N 3.48Å; Y21-R24 WeakPolarHBondContact O-CB 3.39Å; Y21-R24 WeakPolarHBondContact O-CD 3.47Å; Y21-R24 WeakPolarHBondContact O-CG 3.21Å; Y21-R24 PolarHBondContact O-N 2.97Å; Y21-V31 HydrophobicContact CD2-CG2 4.27Å; Y21-T90 HydrophobicContact CD2-CG2 3.98Å; Y21-T120 HydrophobicContact CD1-CG2 3.93Å; Y21-T120 HydrophobicContact CD2-CG2 3.98Å; Y21-T120 HydrophobicContact CE1-CG2 4.16Å; Y21-T120 HydrophobicContact CE2-CG2 4.21Å; Y21-T120 VanDerWaalsContact CE2-OG1 3.26Å; Y21-T120 WeakPolarHBondContact CE2-OG1 3.3Å; Y21-T120 HydrophobicContact CG-CG2 3.83Å; Y21-T120 PolarHBondContact OH-OG1 2.9Å
22E87.4Confident86.5Confident151 Ų15166.1 Ų66.171%0.70636%0.357SS*.Hα-helixtrans-66.4-34.5175.9-71.8-166.4163.800112.8V18 R24V18-E22 PolarHBondContact O-N 2.96Å; E22-R24 VanDerWaalsContact C-N 3.29Å; E22-R24 PolarHBondContact O-N 3.37Å
23R87.3Confident86.4Confident180 Ų18063.3 Ų63.368%0.67934%0.34SS*.THydrogen-bonded Turntrans-86.714.6179.2-62.5-161.3-169.195.213.9115D19 Y21D19-R23 WeakPolarHBondContact O-CG 3.34Å; D19-R23 PolarHBondContact O-N 3.27Å; D19-R23 IonicContact OD1-CZ 3.95Å; D19-R23 IonicContact OD1-NH1 3.55Å; D19-R23 PolarHBondContact OD1-NH1 3.39Å; D19-R23 IonicContact OD1-NH2 3.44Å; D19-R23 PolarHBondContact OD1-NH2 2.87Å; D19-R23 IonicContact OD2-CZ 2.69Å; D19-R23 IonicContact OD2-NH1 3.52Å; D19-R23 PolarHBondContact OD2-NH1 3.36Å; D19-R23 IonicContact OD2-NH2 3.36Å; Y21-R23 VanDerWaalsContact C-N 3.34Å; Y21-R23 PolarHBondContact O-N 3.48Å
24R84Confident86.4Confident106 Ų10663.3 Ų63.340%0.434%0.34SS..PPolyproline II helixtrans-60.6151.2-179.268.3-167.5-179.4115.7-4.3112.1Y21 E22 S28 V31Y21-R24 WeakPolarHBondContact O-CB 3.39Å; Y21-R24 WeakPolarHBondContact O-CD 3.47Å; Y21-R24 WeakPolarHBondContact O-CG 3.21Å; Y21-R24 PolarHBondContact O-N 2.97Å; E22-R24 VanDerWaalsContact C-N 3.29Å; E22-R24 PolarHBondContact O-N 3.37Å; R24-S28 VanDerWaalsContact CD-O 3.28Å; R24-S28 WeakPolarHBondContact CD-O 3.39Å; R24-S28 PolarHBondContact NH1-O 3.45Å; R24-V31 HydrophobicContact CB-CG2 4.21Å
25A78.9Confident86.4Confident65 Ų6562.1 Ų62.154%0.53733%0.333SS..PPolyproline II helixtrans-64.4145.4170.700000110.3G27 S28A25-G27 PolarHBondContact O-N 3.19Å; A25-G27 VanDerWaalsContact O-N 3.1Å; A25-S28 PolarHBondContact O-N 3.07Å; A25-S28 VanDerWaalsContact O-N 3.12Å
26E75.3Confident86.5Confident208 Ų20859.2 Ų59.297%0.97231%0.309SS*.THydrogen-bonded Turntrans-57.5117.7175.4-66.7-176.1175.100109.8
27G73.4Confident86.5Confident78 Ų7857.6 Ų57.680%0.80430%0.298SS*.THydrogen-bonded Turntrans105.2-14.3-179.900000115.8A25A25-G27 PolarHBondContact O-N 3.19Å; A25-G27 VanDerWaalsContact O-N 3.1Å
28S77.9Confident86.3Confident32 Ų3259.7 Ų59.722%0.22431%0.311CS..  trans-85.9112.4175.4-63.30000110.5R24 A25 R30R24-S28 VanDerWaalsContact CD-O 3.28Å; R24-S28 WeakPolarHBondContact CD-O 3.39Å; R24-S28 PolarHBondContact NH1-O 3.45Å; A25-S28 PolarHBondContact O-N 3.07Å; A25-S28 VanDerWaalsContact O-N 3.12Å; S28-R30 VanDerWaalsContact C-N 3.33Å
29E79.7Confident86.2Confident145 Ų14564.2 Ų64.268%0.67832%0.322SS*.  trans-76.8-21177.6-67.2-170.5165.900113.3
30R83.2Confident85.8Confident55 Ų5562.9 Ų62.921%0.20832%0.323CS..  trans-119.5152.5-173.9-60.9-176.3178.6133.7-2.7111.7S28 H54 E56 T90S28-R30 VanDerWaalsContact C-N 3.33Å; R30-H54 PolarHBondContact O-CE1 3.44Å; R30-H54 PolarHBondContact O-NE2 3.39Å; R30-H54 VanDerWaalsContact O-NE2 3.1Å; R30-E56 IonicContact CZ-OE1 3.77Å; R30-E56 IonicContact NH1-OE1 2.77Å; R30-E56 PolarHBondContact NH1-OE1 2.94Å; R30-T90 WeakPolarHBondContact CA-OG1 3.49Å
31V88.2Confident85.3Confident11 Ų1171.9 Ų71.97%0.06736%0.359CS..  trans-124.7128.1168.5178.30000107.8A20 Y21 R24 Y88 A89 T90A20-V31 HydrophobicContact CB-CG1 4.01Å; Y21-V31 HydrophobicContact CD2-CG2 4.27Å; R24-V31 HydrophobicContact CB-CG2 4.21Å; V31-Y88 HydrophobicContact CG1-CE2 4.26Å; V31-A89 WeakPolarHBondContact O-CA 3.46Å; V31-T90 HydrophobicContact CB-CG2 4.17Å; V31-T90 PolarHBondContact N-OG1 3.22Å; V31-T90 PolarHBondContact O-N 3.14Å
32I89.5Confident84.9Confident3 Ų370.2 Ų70.22%0.01535%0.354CS..EExtended strand (participates in β ladder)trans-112.3139.6177.5-62.5166.7000108.1V52 H54 V61 M63 W87 Y88 A89 L98 I101I32-V52 PolarHBondContact O-N 3.43Å; I32-H54 HydrophobicContact CD1-CB 4.38Å; I32-V61 HydrophobicContact CD1-CG1 3.87Å; I32-M63 HydrophobicContact CG2-SD 3.72Å; I32-W87 HydrophobicContact CG2-CE3 3.98Å; I32-W87 HydrophobicContact CG2-CZ3 4.26Å; I32-Y88 WeakPolarHBondContact CA-O 2.96Å; I32-A89 HydrophobicContact CG1-CB 4.34Å; I32-L98 HydrophobicContact CD1-CD2 4.36Å; I32-I101 HydrophobicContact CD1-CD1 3.65Å
33G91.2Very high84.9Confident0 Ų066.5 Ų66.50%034%0.338CS..EExtended strand (participates in β ladder)trans-154.2172.7173.800000113.3Y50 W87 Y88G33-Y50 CarbonylContact C-O 3.52Å; G33-Y50 WeakPolarHBondContact CA-O 3.41Å; G33-W87 CarbonylContact O-C 3.54Å; G33-W87 WeakPolarHBondContact O-CA 3.32Å; G33-W87 VanDerWaalsContact O-CB 3.25Å; G33-W87 WeakPolarHBondContact O-CB 3.49Å; G33-Y88 VanDerWaalsContact C-CE1 3.48Å; G33-Y88 PolarHBondContact N-O 3.28Å; G33-Y88 VanDerWaalsContact N-O 3.07Å; G33-Y88 PolarHBondContact O-N 3.44Å
34T92.3Very high85Confident0 Ų058 Ų580%031%0.306CS..EExtended strand (participates in β ladder)trans-98.3137.9-179.9-58.40000109.7C49 Y50 I84 Y106T34-C49 WeakPolarHBondContact O-CA 3.42Å; T34-Y50 VanDerWaalsContact CB-CZ 3.44Å; T34-Y50 HydrophobicContact CG2-CE1 4Å; T34-Y50 PolarHBondContact N-O 3.48Å; T34-Y50 PolarHBondContact O-N 2.91Å; T34-Y50 VanDerWaalsContact O-N 3.11Å; T34-Y50 PolarHBondContact OG1-OH 2.99Å; T34-I84 HydrophobicContact CG2-CB 4.47Å; T34-I84 HydrophobicContact CG2-CG1 4.12Å; T34-I84 HydrophobicContact CG2-CG2 3.73Å; T34-Y106 HydrophobicContact CG2-CE1 4.14Å; T34-Y106 PolarHBondContact OG1-OH 3.41Å
35L92.9Very high85.3Confident1 Ų155.2 Ų55.21%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-96.2133.3174.1-62.8175.5000110.1V13 V46 C49 V85 G86 Y88 L116V13-L35 HydrophobicContact CG1-CD2 3.95Å; L35-V46 HydrophobicContact CB-CG1 4.01Å; L35-V46 HydrophobicContact CD1-CG1 4.41Å; L35-V46 HydrophobicContact CD2-CG1 3.91Å; L35-V46 HydrophobicContact CG-CG1 4.33Å; L35-C49 HydrophobicContact CD2-CB 3.67Å; L35-V85 HydrophobicContact CB-CG2 3.86Å; L35-V85 WeakPolarHBondContact O-CG2 3.31Å; L35-V85 PolarHBondContact O-N 3.15Å; L35-V85 VanDerWaalsContact O-N 3.09Å; L35-G86 PolarHBondContact N-O 2.95Å; L35-G86 PolarHBondContact O-N 3.34Å; L35-Y88 HydrophobicContact CD2-CD1 3.58Å; L35-Y88 HydrophobicContact CD2-CE1 4.47Å; L35-Y88 HydrophobicContact CD2-CG 4.24Å; L35-Y88 HydrophobicContact CG-CD1 4.1Å; L35-L116 HydrophobicContact CD1-CB 3.66Å; L35-L116 HydrophobicContact CD1-CD2 4.27Å; L35-L116 HydrophobicContact CD2-CD2 4.45Å
36L92.2Very high86Confident2 Ų252.1 Ų52.11%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-115.5144.4177.9-64.3171.2000109.8T47 H48 Y50 E75 H82 N83 I84L36-T47 PolarHBondContact O-N 3.49Å; L36-T47 VanDerWaalsContact O-N 3.16Å; L36-H48 WeakPolarHBondContact CA-O 3.44Å; L36-H48 HydrophobicContact CB-CB 4.36Å; L36-H48 PolarHBondContact N-O 2.87Å; L36-H48 PolarHBondContact O-N 3.22Å; L36-Y50 HydrophobicContact CD1-CD1 3.74Å; L36-Y50 HydrophobicContact CD1-CE1 3.83Å; L36-Y50 HydrophobicContact CD2-CE1 4.27Å; L36-Y50 HydrophobicContact CG-CD1 4.24Å; L36-Y50 HydrophobicContact CG-CE1 4.07Å; L36-E75 HydrophobicContact CD1-CB 3.77Å; L36-E75 HydrophobicContact CD1-CG 3.66Å; L36-H82 HydrophobicContact CB-CB 4.31Å; L36-N83 CarbonylContact C-O 3.56Å; L36-N83 WeakPolarHBondContact CA-O 3.35Å; L36-I84 HydrophobicContact CD2-CG1 3.9Å
37G91.3Very high86.8Confident0 Ų043.4 Ų43.40%023%0.233CC..EExtended strand (participates in β ladder)trans173.8-161.5-177.700000112.6E45 N83G37-E45 CarbonylContact C-O 3.44Å; G37-E45 WeakPolarHBondContact CA-O 3.37Å; G37-N83 PolarHBondContact N-O 3.28Å; G37-N83 PolarHBondContact O-N 3.31Å; G37-N83 VanDerWaalsContact O-O 3.13Å
38T89.1Confident87.7Confident45 Ų4542.2 Ų42.228%0.27621%0.207SC..EExtended strand (participates in β ladder)trans-122.6154.9177.677.10000110.7E45T38-E45 PolarHBondContact N-O 2.89Å; T38-E45 PolarHBondContact O-N 3.41Å; T38-E45 VanDerWaalsContact O-N 3.09Å
39W85.7Confident88.5Confident148 Ų14840.9 Ų40.956%0.56120%0.198SC*.EExtended strand (participates in β ladder)trans-115.7121.2175.3-173.389.5000108.4
40G83Confident89.1Confident34 Ų3434.8 Ų34.835%0.35117%0.168SC..EExtended strand (participates in β ladder)trans-143.7120.2-17500000112.7G42 I43G40-G42 PolarHBondContact O-N 2.93Å; G40-I43 PolarHBondContact N-O 3.41Å; G40-I43 WeakPolarHBondContact O-CA 3.34Å; G40-I43 WeakPolarHBondContact O-CB 3.41Å; G40-I43 PolarHBondContact O-N 3.41Å; G40-I43 VanDerWaalsContact O-O 3.07Å
41K80.2Confident89.5Confident205 Ų20534.8 Ų34.889%0.89118%0.177SC*.THydrogen-bonded Turntrans50.730.5170.8-61-179.7-179.2173.70115.5
42G80.7Confident89.5Confident5 Ų534.4 Ų34.45%0.05218%0.175CC..THydrogen-bonded Turntrans86.45.5-177.100000114.2S5 A6 G40S5-G42 WeakPolarHBondContact CA-O 3.38Å; A6-G42 PolarHBondContact N-O 3.25Å; G40-G42 PolarHBondContact O-N 2.93Å
43I87.1Confident89.3Confident73 Ų7339.6 Ų39.637%0.37420%0.202SC..EExtended strand (participates in β ladder)trans-107.6139.6170.3-63.7172.2000107.5A6 H8 G40A6-I43 WeakPolarHBondContact O-CA 3.37Å; H8-I43 WeakPolarHBondContact CD2-CG2 3.47Å; H8-I43 VanDerWaalsContact NE2-CG2 3.3Å; H8-I43 WeakPolarHBondContact NE2-CG2 3.36Å; G40-I43 PolarHBondContact N-O 3.41Å; G40-I43 WeakPolarHBondContact O-CA 3.34Å; G40-I43 WeakPolarHBondContact O-CB 3.41Å; G40-I43 PolarHBondContact O-N 3.41Å; G40-I43 VanDerWaalsContact O-O 3.07Å
44I89.2Confident88.9Confident2 Ų241.1 Ų41.11%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-116.2112.1178.7-45.1-175000108A6 V7 H8 V85 I114A6-I44 PolarHBondContact O-N 2.78Å; V7-I44 WeakPolarHBondContact CA-O 3.34Å; H8-I44 PolarHBondContact N-O 2.91Å; I44-V85 HydrophobicContact CG2-CB 3.88Å; I44-V85 HydrophobicContact CG2-CG1 3.91Å; I44-V85 HydrophobicContact CG2-CG2 4.45Å; I44-I114 HydrophobicContact CB-CD1 3.56Å; I44-I114 HydrophobicContact CD1-CD1 3.43Å; I44-I114 VanDerWaalsContact CD1-CD1 3.43Å; I44-I114 HydrophobicContact CD1-CG1 3.7Å; I44-I114 HydrophobicContact CG1-CD1 3.99Å; I44-I114 HydrophobicContact CG2-CD1 3.3Å
45E91.2Very high88.3Confident47 Ų4747.9 Ų47.922%0.2224%0.24CC..EExtended strand (participates in β ladder)trans-97.8115.3-178.6-172.1-174.9179.100108.1H10 G37 T38 T47 Y159H10-E45 IonicContact NE2-OE1 3.81Å; H10-E45 PolarHBondContact NE2-OE1 3.2Å; G37-E45 CarbonylContact C-O 3.44Å; G37-E45 WeakPolarHBondContact CA-O 3.37Å; T38-E45 PolarHBondContact N-O 2.89Å; T38-E45 PolarHBondContact O-N 3.41Å; T38-E45 VanDerWaalsContact O-N 3.09Å; E45-T47 HydrophobicContact CG-CG2 4.08Å; E45-Y159 PolarHBondContact OE1-OH 2.81Å
46V93.1Very high87.4Confident1 Ų151.3 Ų51.31%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-99.6100.9-179.9-169.90000108.2V7 H8 V9 H10 V13 L35 V85V7-V46 HydrophobicContact CG1-CG2 3.89Å; H8-V46 PolarHBondContact O-N 3.45Å; V9-V46 HydrophobicContact CG2-CB 4.46Å; V9-V46 HydrophobicContact CG2-CG2 4.41Å; H10-V46 PolarHBondContact CD2-O 2.88Å; H10-V46 PolarHBondContact N-O 3.33Å; H10-V46 VanDerWaalsContact N-O 3.07Å; V13-V46 HydrophobicContact CG1-CG1 4.17Å; V13-V46 HydrophobicContact CG2-CG1 3.97Å; V13-V46 WeakPolarHBondContact CG2-O 3.47Å; L35-V46 HydrophobicContact CB-CG1 4.01Å; L35-V46 HydrophobicContact CD1-CG1 4.41Å; L35-V46 HydrophobicContact CD2-CG1 3.91Å; L35-V46 HydrophobicContact CG-CG1 4.33Å; V46-V85 HydrophobicContact CG2-CG2 4.24Å
47T91.4Very high86.4Confident24 Ų2454.9 Ų54.915%0.14728%0.282CS..EExtended strand (participates in β ladder)trans-91.7-32.5-175.556.80000112.5L36 E45 H82L36-T47 PolarHBondContact O-N 3.49Å; L36-T47 VanDerWaalsContact O-N 3.16Å; E45-T47 HydrophobicContact CG-CG2 4.08Å; T47-H82 PolarHBondContact OG1-NE2 3.05Å
48H93.3Very high85.3Confident53 Ų5360.1 Ų60.125%0.24533%0.325CS..EExtended strand (participates in β ladder)trans-146.9162.9-175.4-158.236.4000112.8L36 E75L36-H48 WeakPolarHBondContact CA-O 3.44Å; L36-H48 HydrophobicContact CB-CB 4.36Å; L36-H48 PolarHBondContact N-O 2.87Å; L36-H48 PolarHBondContact O-N 3.22Å; H48-E75 IonicContact CD2-OE2 3Å
49C93.4Very high84.3Confident5 Ų564 Ų643%0.03435%0.348CS..EExtended strand (participates in β ladder)trans-152.5155175.467.90000111V13 S16 T34 L35 Y88V13-C49 HydrophobicContact CG1-CB 4.02Å; S16-C49 VanDerWaalsContact CB-SG 3.55Å; T34-C49 WeakPolarHBondContact O-CA 3.42Å; L35-C49 HydrophobicContact CD2-CB 3.67Å; C49-Y88 HydrophobicContact CB-CD1 4.25Å; C49-Y88 HydrophobicContact CB-CE1 3.88Å
50Y92.8Very high83.5Confident16 Ų1661.5 Ų61.56%0.06335%0.346CS..EExtended strand (participates in β ladder)trans-136.4146.6171.864-93.7000110.4G33 T34 L36 V52 K68 M71 T72 E75G33-Y50 CarbonylContact C-O 3.52Å; G33-Y50 WeakPolarHBondContact CA-O 3.41Å; T34-Y50 VanDerWaalsContact CB-CZ 3.44Å; T34-Y50 HydrophobicContact CG2-CE1 4Å; T34-Y50 PolarHBondContact N-O 3.48Å; T34-Y50 PolarHBondContact O-N 2.91Å; T34-Y50 VanDerWaalsContact O-N 3.11Å; T34-Y50 PolarHBondContact OG1-OH 2.99Å; L36-Y50 HydrophobicContact CD1-CD1 3.74Å; L36-Y50 HydrophobicContact CD1-CE1 3.83Å; L36-Y50 HydrophobicContact CD2-CE1 4.27Å; L36-Y50 HydrophobicContact CG-CD1 4.24Å; L36-Y50 HydrophobicContact CG-CE1 4.07Å; Y50-V52 HydrophobicContact CD2-CG2 4Å; Y50-V52 HydrophobicContact CE2-CG2 3.6Å; Y50-K68 HydrophobicContact CE2-CG 4.43Å; Y50-K68 WeakPolarHBondContact OH-CG 3.41Å; Y50-K68 PolarHBondContact OH-O 3.28Å; Y50-M71 HydrophobicContact CD1-CG 3.9Å; Y50-M71 HydrophobicContact CD2-CB 4.15Å; Y50-M71 HydrophobicContact CD2-CG 3.49Å; Y50-M71 VanDerWaalsContact CD2-CG 3.49Å; Y50-M71 HydrophobicContact CE1-CG 4.02Å; Y50-M71 HydrophobicContact CE2-CB 3.8Å; Y50-M71 HydrophobicContact CE2-CG 3.61Å; Y50-M71 HydrophobicContact CG-CG 3.63Å; Y50-T72 PolarHBondContact OH-OG1 2.95Å; Y50-T72 VanDerWaalsContact OH-OG1 3.11Å; Y50-E75 HydrophobicContact CD1-CG 4.26Å; Y50-E75 HydrophobicContact CE1-CG 4.48Å
51S91.4Very high83.1Confident55 Ų5560.5 Ų60.539%0.38533%0.333SS..EExtended strand (participates in β ladder)trans-76.6144.2175.155.30000110.9Y88S51-Y88 WeakPolarHBondContact CA-OH 3.31Å; S51-Y88 PolarHBondContact N-OH 3.32Å
52V88.4Confident82.9Confident4 Ų453.3 Ų53.32%0.02431%0.309CS..  trans-112.3135.2175.1177.70000107.8I32 Y50 H54 M63 K68I32-V52 PolarHBondContact O-N 3.43Å; Y50-V52 HydrophobicContact CD2-CG2 4Å; Y50-V52 HydrophobicContact CE2-CG2 3.6Å; V52-H54 PolarHBondContact O-N 2.97Å; V52-H54 PolarHBondContact O-ND1 2.83Å; V52-M63 HydrophobicContact CG1-CB 4.38Å; V52-K68 HydrophobicContact CG2-CB 4.46Å; V52-K68 HydrophobicContact CG2-CG 4.31Å
53L85Confident82.9Confident112 Ų11254.3 Ų54.359%0.58631%0.312SS*.  trans-63.3126.8173-62.2178.1000109.1D64L53-D64 HydrophobicContact CB-CB 4.47Å; L53-D64 PolarHBondContact O-N 2.99Å; L53-D64 VanDerWaalsContact O-N 3.08Å
54H82.5Confident82.9Confident31 Ų3154 Ų5414%0.14431%0.311CS..EExtended strand (participates in β ladder)trans-133.4149.4178.866.8-75.3000109.2R30 I32 V52 V61 S62 M63R30-H54 PolarHBondContact O-CE1 3.44Å; R30-H54 PolarHBondContact O-NE2 3.39Å; R30-H54 VanDerWaalsContact O-NE2 3.1Å; I32-H54 HydrophobicContact CD1-CB 4.38Å; V52-H54 PolarHBondContact O-N 2.97Å; V52-H54 PolarHBondContact O-ND1 2.83Å; H54-V61 HydrophobicContact CB-CG1 4.27Å; H54-S62 CarbonylContact C-O 3.55Å; H54-S62 VanDerWaalsContact CA-O 3.27Å; H54-S62 WeakPolarHBondContact CA-O 3.38Å; H54-M63 HydrophobicContact CB-CG 4.16Å
55Q79.8Confident82.6Confident142 Ų14258.3 Ų58.366%0.66433%0.333SS*.EExtended strand (participates in β ladder)trans-113.3113.2170.4-64178.8-19.400107.4V61 S62Q55-V61 WeakPolarHBondContact O-CA 3.45Å; Q55-S62 PolarHBondContact N-O 2.97Å; Q55-S62 PolarHBondContact O-N 3.45Å; Q55-S62 VanDerWaalsContact O-N 3.11Å
56E74.2Confident82.5Confident74 Ų7463.2 Ų63.235%0.34636%0.356SS..EExtended strand (participates in β ladder)trans-90.3110.8176.1-174.4164-150.700108.8R30 V61R30-E56 IonicContact CZ-OE1 3.77Å; R30-E56 IonicContact NH1-OE1 2.77Å; R30-E56 PolarHBondContact NH1-OE1 2.94Å; E56-V61 HydrophobicContact CB-CG2 4.47Å; E56-V61 HydrophobicContact CG-CG2 4.11Å
57S72Confident82.3Confident77 Ų7766.4 Ų66.454%0.53837%0.37SS..  trans-100.5161.4162.8-65.60000109V59 D60S57-V59 PolarHBondContact O-N 2.64Å; S57-D60 CarbonylContact C-O 3.36Å; S57-D60 WeakPolarHBondContact CA-O 3.42Å; S57-D60 WeakPolarHBondContact CB-O 3.3Å; S57-D60 PolarHBondContact N-O 2.86Å; S57-D60 PolarHBondContact O-N 3.4Å; S57-D60 VanDerWaalsContact O-O 3.1Å
58A67.4Low82.1Confident109 Ų10965.5 Ų65.590%0.90136%0.364SS*.SBendtrans-58.3-22-178.300000114.4
59V68Low81.8Confident127 Ų12765.8 Ų65.877%0.7737%0.368SS*.SBendtrans-112.4-28.6-174.8-176.50000112.3S57S57-V59 PolarHBondContact O-N 2.64Å
60D69.4Low81.8Confident96 Ų9670.6 Ų70.651%0.51339%0.393SS..  trans-145.5148-170.7-163.59.7000111S57S57-D60 CarbonylContact C-O 3.36Å; S57-D60 WeakPolarHBondContact CA-O 3.42Å; S57-D60 WeakPolarHBondContact CB-O 3.3Å; S57-D60 PolarHBondContact N-O 2.86Å; S57-D60 PolarHBondContact O-N 3.4Å; S57-D60 VanDerWaalsContact O-O 3.1Å
61V74.4Confident81.7Confident12 Ų1271.9 Ų71.97%0.07340%0.4CS..EExtended strand (participates in β ladder)trans-120.8103.7176-179.30000107.4I32 H54 Q55 E56 T97 I101I32-V61 HydrophobicContact CD1-CG1 3.87Å; H54-V61 HydrophobicContact CB-CG1 4.27Å; Q55-V61 WeakPolarHBondContact O-CA 3.45Å; E56-V61 HydrophobicContact CB-CG2 4.47Å; E56-V61 HydrophobicContact CG-CG2 4.11Å; V61-T97 HydrophobicContact CG2-CG2 4.2Å; V61-I101 HydrophobicContact CB-CD1 3.78Å; V61-I101 HydrophobicContact CB-CG1 4.34Å; V61-I101 HydrophobicContact CG1-CD1 3.58Å; V61-I101 HydrophobicContact CG1-CG1 4.48Å; V61-I101 HydrophobicContact CG2-CD1 4.46Å
62S75.5Confident81.5Confident55 Ų5570 Ų7039%0.38539%0.386SS..EExtended strand (participates in β ladder)trans-86.5131.7174.6640000109.4H54 Q55H54-S62 CarbonylContact C-O 3.55Å; H54-S62 VanDerWaalsContact CA-O 3.27Å; H54-S62 WeakPolarHBondContact CA-O 3.38Å; Q55-S62 PolarHBondContact N-O 2.97Å; Q55-S62 PolarHBondContact O-N 3.45Å; Q55-S62 VanDerWaalsContact O-N 3.11Å
63M81.6Confident81.6Confident26 Ų2673.6 Ų73.613%0.12841%0.408CS..EExtended strand (participates in β ladder)trans-108.7143172.8-69.6-170.7-62.900109.7I32 V52 H54 I65 I101 V105 Y106I32-M63 HydrophobicContact CG2-SD 3.72Å; V52-M63 HydrophobicContact CG1-CB 4.38Å; H54-M63 HydrophobicContact CB-CG 4.16Å; M63-I65 PolarHBondContact O-N 3.2Å; M63-I101 HydrophobicContact CE-CB 4.31Å; M63-I101 HydrophobicContact CE-CG1 4.38Å; M63-I101 HydrophobicContact CE-CG2 3.35Å; M63-I101 HydrophobicContact SD-CG2 3.92Å; M63-V105 HydrophobicContact CE-CB 3.58Å; M63-V105 HydrophobicContact CE-CG1 3.57Å; M63-V105 HydrophobicContact CE-CG2 3.47Å; M63-V105 VanDerWaalsContact CE-CG2 3.47Å; M63-Y106 HydrophobicContact CE-CE2 4.04Å
64D85.9Confident82Confident67 Ų6772.8 Ų72.836%0.35840%0.404SS..  trans-7398.5173.3-170.7-20.6000110.6L53 E66 F67 K68L53-D64 HydrophobicContact CB-CB 4.47Å; L53-D64 PolarHBondContact O-N 2.99Å; L53-D64 VanDerWaalsContact O-N 3.08Å; D64-E66 VanDerWaalsContact C-N 3.31Å; D64-E66 WeakPolarHBondContact OD1-CB 3.44Å; D64-E66 PolarHBondContact OD1-N 3.15Å; D64-F67 HydrophobicContact CB-CB 3.89Å; D64-F67 VanDerWaalsContact CG-CB 3.44Å; D64-F67 PolarHBondContact OD1-N 3.05Å; D64-K68 PolarHBondContact O-N 3.3Å; D64-K68 VanDerWaalsContact O-N 3.1Å
65I84.4Confident82.3Confident92 Ų9272.5 Ų72.547%0.47240%0.402SS..Hα-helixtrans-69.1-32179.8-59.4172.6000110.9M63 K68 N69M63-I65 PolarHBondContact O-N 3.2Å; I65-K68 PolarHBondContact O-N 3.49Å; I65-N69 WeakPolarHBondContact O-CB 3.35Å; I65-N69 VanDerWaalsContact O-CG 3.23Å; I65-N69 PolarHBondContact O-N 2.98Å; I65-N69 PolarHBondContact O-ND2 3.44Å
66E87.6Confident82.8Confident149 Ų14972 Ų7270%0.69639%0.394SS*.Hα-helixtrans-69.1-47.9-179.9-63.3-171.3173.200110.1D64 K68 N69 N70D64-E66 VanDerWaalsContact C-N 3.31Å; D64-E66 WeakPolarHBondContact OD1-CB 3.44Å; D64-E66 PolarHBondContact OD1-N 3.15Å; E66-K68 VanDerWaalsContact C-N 3.32Å; E66-K68 PolarHBondContact O-N 3.32Å; E66-N69 PolarHBondContact O-N 2.93Å; E66-N70 WeakPolarHBondContact O-CB 3.48Å; E66-N70 VanDerWaalsContact O-CG 3.32Å; E66-N70 PolarHBondContact O-N 3.44Å; E66-N70 PolarHBondContact O-ND2 2.9Å
67F88.9Confident83.7Confident69 Ų6976.1 Ų76.130%0.30341%0.411SS..Hα-helixtrans-56.7-46.7173.1-174.9-94.2000111.2D64 N69 N70 M71D64-F67 HydrophobicContact CB-CB 3.89Å; D64-F67 VanDerWaalsContact CG-CB 3.44Å; D64-F67 PolarHBondContact OD1-N 3.05Å; F67-N69 VanDerWaalsContact C-N 3.34Å; F67-N69 PolarHBondContact O-N 2.94Å; F67-N70 PolarHBondContact O-N 3.31Å; F67-M71 HydrophobicContact CE1-CE 3.97Å; F67-M71 HydrophobicContact CE2-CE 4.46Å; F67-M71 HydrophobicContact CZ-CE 3.6Å; F67-M71 WeakPolarHBondContact O-CB 3.39Å; F67-M71 PolarHBondContact O-N 3.27Å
68K87.2Confident84.6Confident4 Ų478 Ų782%0.01742%0.419CS..Hα-helixtrans-57.1-46.2177.1-169.4-172.479.8171.80112.1Y50 V52 D64 I65 E66 T72 V105 Y106Y50-K68 HydrophobicContact CE2-CG 4.43Å; Y50-K68 WeakPolarHBondContact OH-CG 3.41Å; Y50-K68 PolarHBondContact OH-O 3.28Å; V52-K68 HydrophobicContact CG2-CB 4.46Å; V52-K68 HydrophobicContact CG2-CG 4.31Å; D64-K68 PolarHBondContact O-N 3.3Å; D64-K68 VanDerWaalsContact O-N 3.1Å; I65-K68 PolarHBondContact O-N 3.49Å; E66-K68 VanDerWaalsContact C-N 3.32Å; E66-K68 PolarHBondContact O-N 3.32Å; K68-T72 WeakPolarHBondContact O-CB 3.38Å; K68-T72 PolarHBondContact O-N 3.4Å; K68-T72 PolarHBondContact O-OG1 3.43Å; K68-V105 HydrophobicContact CD-CG1 4.39Å; K68-V105 PolarHBondContact NZ-O 3.1Å; K68-Y106 HydrophobicContact CD-CE1 4.45Å
69N88.5Confident85.7Confident60 Ų6075.3 Ų75.332%0.32139%0.39SS..Hα-helixtrans-67.1-43.2-178.8-71.7-28.5000111.4I65 E66 F67 T72 V73 K109I65-N69 WeakPolarHBondContact O-CB 3.35Å; I65-N69 VanDerWaalsContact O-CG 3.23Å; I65-N69 PolarHBondContact O-N 2.98Å; I65-N69 PolarHBondContact O-ND2 3.44Å; E66-N69 PolarHBondContact O-N 2.93Å; F67-N69 VanDerWaalsContact C-N 3.34Å; F67-N69 PolarHBondContact O-N 2.94Å; N69-T72 PolarHBondContact O-N 3.22Å; N69-V73 WeakPolarHBondContact O-CG2 3.36Å; N69-V73 PolarHBondContact O-N 2.87Å; N69-V73 VanDerWaalsContact O-N 3.08Å; N69-K109 PolarHBondContact OD1-NZ 2.89Å
70N92.3Very high86.7Confident105 Ų10574.4 Ų74.456%0.56139%0.387SS*.Hα-helixtrans-61-47.2176.3-71.6-21.2000111.1E66 F67 T72 V73 L74E66-N70 WeakPolarHBondContact O-CB 3.48Å; E66-N70 VanDerWaalsContact O-CG 3.32Å; E66-N70 PolarHBondContact O-N 3.44Å; E66-N70 PolarHBondContact O-ND2 2.9Å; F67-N70 PolarHBondContact O-N 3.31Å; N70-T72 PolarHBondContact O-N 2.93Å; N70-V73 PolarHBondContact O-N 3.3Å; N70-L74 WeakPolarHBondContact O-CG 3.47Å; N70-L74 PolarHBondContact O-N 3.44Å
71M90.4Very high87.5Confident44 Ų4472.5 Ų72.522%0.21738%0.38CS..Hα-helixtrans-61.9-43.7177.3-170.162.583.900111.6Y50 F67 V73 L74 E75Y50-M71 HydrophobicContact CD1-CG 3.9Å; Y50-M71 HydrophobicContact CD2-CB 4.15Å; Y50-M71 HydrophobicContact CD2-CG 3.49Å; Y50-M71 VanDerWaalsContact CD2-CG 3.49Å; Y50-M71 HydrophobicContact CE1-CG 4.02Å; Y50-M71 HydrophobicContact CE2-CB 3.8Å; Y50-M71 HydrophobicContact CE2-CG 3.61Å; Y50-M71 HydrophobicContact CG-CG 3.63Å; F67-M71 HydrophobicContact CE1-CE 3.97Å; F67-M71 HydrophobicContact CE2-CE 4.46Å; F67-M71 HydrophobicContact CZ-CE 3.6Å; F67-M71 WeakPolarHBondContact O-CB 3.39Å; F67-M71 PolarHBondContact O-N 3.27Å; M71-V73 PolarHBondContact O-N 2.91Å; M71-L74 PolarHBondContact O-N 3.35Å; M71-L74 VanDerWaalsContact O-N 3.08Å; M71-E75 HydrophobicContact CG-CG 4.25Å; M71-E75 WeakPolarHBondContact O-CB 3.37Å; M71-E75 WeakPolarHBondContact O-CG 3.4Å; M71-E75 PolarHBondContact O-N 3.02Å; M71-E75 HydrophobicContact SD-CG 4.44Å
72T87.3Confident88Confident14 Ų1473 Ų739%0.08638%0.382CS..Hα-helixtrans-57.2-39.7176-57.50000111.9Y50 K68 N69 N70 R76 I84Y50-T72 PolarHBondContact OH-OG1 2.95Å; Y50-T72 VanDerWaalsContact OH-OG1 3.11Å; K68-T72 WeakPolarHBondContact O-CB 3.38Å; K68-T72 PolarHBondContact O-N 3.4Å; K68-T72 PolarHBondContact O-OG1 3.43Å; N69-T72 PolarHBondContact O-N 3.22Å; N70-T72 PolarHBondContact O-N 2.93Å; T72-R76 WeakPolarHBondContact O-CB 3.33Å; T72-R76 WeakPolarHBondContact O-CG 3.35Å; T72-R76 PolarHBondContact O-N 3.47Å; T72-R76 VanDerWaalsContact O-N 3.07Å; T72-I84 HydrophobicContact CG2-CD1 3.79Å; T72-I84 HydrophobicContact CG2-CG1 4.27Å
73V91.2Very high88.6Confident80 Ų8073.8 Ų73.849%0.48538%0.382SS..Hα-helixtrans-68.9-39.6177.8171.90000111.2N69 N70 M71 K77N69-V73 WeakPolarHBondContact O-CG2 3.36Å; N69-V73 PolarHBondContact O-N 2.87Å; N69-V73 VanDerWaalsContact O-N 3.08Å; N70-V73 PolarHBondContact O-N 3.3Å; M71-V73 PolarHBondContact O-N 2.91Å; V73-K77 WeakPolarHBondContact O-CG 3.44Å; V73-K77 PolarHBondContact O-N 2.91Å
74L93.1Very high89Confident95 Ų9574 Ų7450%0.49738%0.383SS..Hα-helixtrans-65.2-47176.1-67.8173.5000111.4N70 M71 R76 K77 V78N70-L74 WeakPolarHBondContact O-CG 3.47Å; N70-L74 PolarHBondContact O-N 3.44Å; M71-L74 PolarHBondContact O-N 3.35Å; M71-L74 VanDerWaalsContact O-N 3.08Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 3.18Å; L74-K77 WeakPolarHBondContact O-CA 3.46Å; L74-K77 WeakPolarHBondContact O-CB 3.39Å; L74-K77 PolarHBondContact O-N 3.22Å; L74-V78 PolarHBondContact O-N 3.23Å
75E90.2Very high89.1Confident26 Ų2671.4 Ų71.412%0.12137%0.37CS..Hα-helixtrans-60.3-40.7178.6-74.5-63.4149.600112.1L36 H48 Y50 M71 K77 V78 N79 H82L36-E75 HydrophobicContact CD1-CB 3.77Å; L36-E75 HydrophobicContact CD1-CG 3.66Å; H48-E75 IonicContact CD2-OE2 3Å; Y50-E75 HydrophobicContact CD1-CG 4.26Å; Y50-E75 HydrophobicContact CE1-CG 4.48Å; M71-E75 HydrophobicContact CG-CG 4.25Å; M71-E75 WeakPolarHBondContact O-CB 3.37Å; M71-E75 WeakPolarHBondContact O-CG 3.4Å; M71-E75 PolarHBondContact O-N 3.02Å; M71-E75 HydrophobicContact SD-CG 4.44Å; E75-K77 VanDerWaalsContact C-N 3.27Å; E75-K77 PolarHBondContact O-N 3.29Å; E75-V78 PolarHBondContact O-N 2.99Å; E75-V78 VanDerWaalsContact O-N 3.17Å; E75-N79 PolarHBondContact O-N 3.13Å; E75-H82 IonicContact OE2-ND1 3.16Å
76R89.4Confident89.4Confident130 Ų13067 Ų6749%0.49135%0.348SS..Hα-helixtrans-65.7-27173.4-79-179.8169.3-175.4-4.6114T72 L74 N79 N83T72-R76 WeakPolarHBondContact O-CB 3.33Å; T72-R76 WeakPolarHBondContact O-CG 3.35Å; T72-R76 PolarHBondContact O-N 3.47Å; T72-R76 VanDerWaalsContact O-N 3.07Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 3.18Å; R76-N79 CarbonylContact O-C 3.47Å; R76-N83 PolarHBondContact NH2-OD1 3.19Å
77K92.5Very high89.5Confident162 Ų16260 Ų6070%0.70431%0.314SS*.Hα-helixtrans-74.3-35.4173-72.6174.1179.9-179.30111.5V73 L74 E75V73-K77 WeakPolarHBondContact O-CG 3.44Å; V73-K77 PolarHBondContact O-N 2.91Å; L74-K77 WeakPolarHBondContact O-CA 3.46Å; L74-K77 WeakPolarHBondContact O-CB 3.39Å; L74-K77 PolarHBondContact O-N 3.22Å; E75-K77 VanDerWaalsContact C-N 3.27Å; E75-K77 PolarHBondContact O-N 3.29Å
78V92.4Very high89.7Confident117 Ų11756.7 Ų56.771%0.70930%0.3SS*.Hα-helixtrans-69.1-49.6175.7176.10000110L74 E75L74-V78 PolarHBondContact O-N 3.23Å; E75-V78 PolarHBondContact O-N 2.99Å; E75-V78 VanDerWaalsContact O-N 3.17Å
79N88.7Confident89.8Confident51 Ų5156.5 Ų56.527%0.27330%0.299SS..  trans-142.3113.5177.4-169.3-3.6000111.6E75 R76 S81 H82E75-N79 PolarHBondContact O-N 3.13Å; R76-N79 CarbonylContact O-C 3.47Å; N79-S81 VanDerWaalsContact CG-OG 3.29Å; N79-S81 PolarHBondContact ND2-OG 3.2Å; N79-S81 VanDerWaalsContact ND2-OG 3.12Å; N79-S81 PolarHBondContact O-N 3.25Å; N79-S81 PolarHBondContact OD1-N 2.89Å; N79-S81 VanDerWaalsContact OD1-N 3.14Å; N79-S81 PolarHBondContact OD1-OG 2.97Å; N79-H82 PolarHBondContact ND2-CD2 3.48Å; N79-H82 PolarHBondContact ND2-NE2 3.05Å; N79-H82 PolarHBondContact O-N 3.21Å
80P89.5Confident89.8Confident109 Ų10953.8 Ų53.871%0.70829%0.285SS*.THydrogen-bonded Turntrans-69.5-15.3-179.728.1-35000113.7H82P80-H82 VanDerWaalsContact C-N 3.3Å
81S86.5Confident89.5Confident55 Ų5549.3 Ų49.339%0.38526%0.263SS..THydrogen-bonded Turntrans-75.9-19.4175.770.70000113N79 N83N79-S81 VanDerWaalsContact CG-OG 3.29Å; N79-S81 PolarHBondContact ND2-OG 3.2Å; N79-S81 VanDerWaalsContact ND2-OG 3.12Å; N79-S81 PolarHBondContact O-N 3.25Å; N79-S81 PolarHBondContact OD1-N 2.89Å; N79-S81 VanDerWaalsContact OD1-N 3.14Å; N79-S81 PolarHBondContact OD1-OG 2.97Å; S81-N83 PolarHBondContact O-N 2.88Å; S81-N83 PolarHBondContact O-ND2 3.45Å
82H85.6Confident89Confident22 Ų2251.3 Ų51.310%0.10228%0.275CS..  trans-71.2110.1-179.2-70.8178.5000111.2L36 T47 E75 N79 P80L36-H82 HydrophobicContact CB-CB 4.31Å; T47-H82 PolarHBondContact OG1-NE2 3.05Å; E75-H82 IonicContact OE2-ND1 3.16Å; N79-H82 PolarHBondContact ND2-CD2 3.48Å; N79-H82 PolarHBondContact ND2-NE2 3.05Å; N79-H82 PolarHBondContact O-N 3.21Å; P80-H82 VanDerWaalsContact C-N 3.3Å
83N87.8Confident88.6Confident73 Ų7357.7 Ų57.739%0.3930%0.304SS..EExtended strand (participates in β ladder)trans-112.3152.4172.7-71.3-61.5000110.7L36 G37 R76 S81 V85L36-N83 CarbonylContact C-O 3.56Å; L36-N83 WeakPolarHBondContact CA-O 3.35Å; G37-N83 PolarHBondContact N-O 3.28Å; G37-N83 PolarHBondContact O-N 3.31Å; G37-N83 VanDerWaalsContact O-O 3.13Å; R76-N83 PolarHBondContact NH2-OD1 3.19Å; S81-N83 PolarHBondContact O-N 2.88Å; S81-N83 PolarHBondContact O-ND2 3.45Å; N83-V85 PolarHBondContact O-N 3.23Å; N83-V85 VanDerWaalsContact O-N 3.07Å
84I88.9Confident88.1Confident30 Ų3056.3 Ų56.315%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-70.5107.9175.7-60171.3000108.4T34 L36 T72 Y106T34-I84 HydrophobicContact CG2-CB 4.47Å; T34-I84 HydrophobicContact CG2-CG1 4.12Å; T34-I84 HydrophobicContact CG2-CG2 3.73Å; L36-I84 HydrophobicContact CD2-CG1 3.9Å; T72-I84 HydrophobicContact CG2-CD1 3.79Å; T72-I84 HydrophobicContact CG2-CG1 4.27Å; I84-Y106 HydrophobicContact CG2-CD1 4.43Å; I84-Y106 HydrophobicContact CG2-CE1 4.5Å
85V88.9Confident87.4Confident13 Ų1353.2 Ų53.28%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-94.1-23.1178.1-67.80000112L35 I44 V46 N83 A113 I114L35-V85 HydrophobicContact CB-CG2 3.86Å; L35-V85 WeakPolarHBondContact O-CG2 3.31Å; L35-V85 PolarHBondContact O-N 3.15Å; L35-V85 VanDerWaalsContact O-N 3.09Å; I44-V85 HydrophobicContact CG2-CB 3.88Å; I44-V85 HydrophobicContact CG2-CG1 3.91Å; I44-V85 HydrophobicContact CG2-CG2 4.45Å; V46-V85 HydrophobicContact CG2-CG2 4.24Å; N83-V85 PolarHBondContact O-N 3.23Å; N83-V85 VanDerWaalsContact O-N 3.07Å; V85-A113 WeakPolarHBondContact O-CA 3.48Å; V85-I114 PolarHBondContact O-N 3.34Å
86G89.7Confident86.8Confident0 Ų059.1 Ų59.10%031%0.306CS..EExtended strand (participates in β ladder)trans173.3-154.2-174.900000112.9L35 I114L35-G86 PolarHBondContact N-O 2.95Å; L35-G86 PolarHBondContact O-N 3.34Å; G86-I114 CarbonylContact C-O 3.6Å; G86-I114 WeakPolarHBondContact CA-O 3.33Å
87W91.4Very high86.2Confident0 Ų054.1 Ų54.10%029%0.29CS..EExtended strand (participates in β ladder)trans-151.7159.3-178.667.9-67000109.7I32 G33 A89 L98 I101 H102 Y106 I114 F115 L116I32-W87 HydrophobicContact CG2-CE3 3.98Å; I32-W87 HydrophobicContact CG2-CZ3 4.26Å; G33-W87 CarbonylContact O-C 3.54Å; G33-W87 WeakPolarHBondContact O-CA 3.32Å; G33-W87 VanDerWaalsContact O-CB 3.25Å; G33-W87 WeakPolarHBondContact O-CB 3.49Å; W87-A89 HydrophobicContact CZ3-CB 3.94Å; W87-L98 HydrophobicContact CH2-CB 3.82Å; W87-L98 HydrophobicContact CH2-CD1 4.2Å; W87-L98 HydrophobicContact CH2-CD2 3.69Å; W87-L98 HydrophobicContact CH2-CG 4.05Å; W87-L98 HydrophobicContact CZ3-CD2 3.78Å; W87-I101 HydrophobicContact CE3-CG2 4.26Å; W87-I101 HydrophobicContact CH2-CB 4.47Å; W87-I101 HydrophobicContact CH2-CG2 4.12Å; W87-I101 HydrophobicContact CZ2-CG2 4.46Å; W87-I101 HydrophobicContact CZ3-CG2 4.02Å; W87-H102 AromaticContact CD1-ND1 3.76Å; W87-H102 AromaticContact CE2-ND1 3.78Å; W87-H102 HydrophobicContact CZ2-CB 3.96Å; W87-H102 AromaticContact NE1-CE1 3.79Å; W87-H102 AromaticContact NE1-CG 3.94Å; W87-H102 AromaticContact NE1-ND1 2.92Å; W87-H102 PolarHBondContact NE1-ND1 2.94Å; W87-Y106 HydrophobicContact CB-CD1 4.21Å; W87-Y106 HydrophobicContact CB-CD2 3.99Å; W87-Y106 HydrophobicContact CB-CE1 3.75Å; W87-Y106 HydrophobicContact CB-CE2 3.48Å; W87-Y106 VanDerWaalsContact CB-CE2 3.48Å; W87-Y106 HydrophobicContact CB-CG 4.32Å; W87-Y106 AromaticContact CD1-CD2 3.75Å; W87-Y106 AromaticContact CD1-CG 3.94Å; W87-Y106 HydrophobicContact CD2-CD2 4.14Å; W87-Y106 AromaticContact CD2-CE2 3.96Å; W87-Y106 HydrophobicContact CD2-CE2 3.96Å; W87-Y106 HydrophobicContact CE3-CE2 4.43Å; W87-Y106 AromaticContact CG-CD2 3.66Å; W87-Y106 HydrophobicContact CG-CD2 3.66Å; W87-Y106 HydrophobicContact CG-CE1 4.43Å; W87-Y106 AromaticContact CG-CE2 3.53Å; W87-Y106 HydrophobicContact CG-CE2 3.53Å; W87-Y106 HydrophobicContact CG-CG 4.16Å; W87-Y106 AromaticContact CG-CZ 3.95Å; W87-I114 VanDerWaalsContact CD1-O 3.32Å; W87-I114 PolarHBondContact N-O 2.77Å; W87-F115 AromaticContact CD2-CD2 3.71Å; W87-F115 HydrophobicContact CD2-CD2 3.71Å; W87-F115 HydrophobicContact CD2-CE2 4.23Å; W87-F115 AromaticContact CE2-CD2 3.27Å; W87-F115 AromaticContact CE2-CE2 3.98Å; W87-F115 AromaticContact CE2-CG 3.95Å; W87-F115 AromaticContact CE3-CD2 3.97Å; W87-F115 HydrophobicContact CE3-CD2 3.97Å; W87-F115 HydrophobicContact CE3-CE2 4Å; W87-F115 HydrophobicContact CG-CD2 4.44Å; W87-F115 AromaticContact CH2-CD2 3.54Å; W87-F115 HydrophobicContact CH2-CD2 3.54Å; W87-F115 AromaticContact CH2-CE2 3.36Å; W87-F115 HydrophobicContact CH2-CE2 3.36Å; W87-F115 HydrophobicContact CH2-CG 4.41Å; W87-F115 HydrophobicContact CH2-CZ 4.15Å; W87-F115 HydrophobicContact CZ2-CB 4.3Å; W87-F115 AromaticContact CZ2-CD2 3.2Å; W87-F115 HydrophobicContact CZ2-CD2 3.2Å; W87-F115 AromaticContact CZ2-CE2 3.57Å; W87-F115 HydrophobicContact CZ2-CE2 3.57Å; W87-F115 AromaticContact CZ2-CG 3.79Å; W87-F115 HydrophobicContact CZ2-CG 3.79Å; W87-F115 HydrophobicContact CZ2-CZ 4.42Å; W87-F115 AromaticContact CZ3-CD2 3.9Å; W87-F115 HydrophobicContact CZ3-CD2 3.9Å; W87-F115 AromaticContact CZ3-CE2 3.59Å; W87-F115 HydrophobicContact CZ3-CE2 3.59Å; W87-F115 AromaticContact NE1-CD2 3.69Å; W87-F115 WeakPolarHBondContact O-CA 3.49Å; W87-L116 PolarHBondContact O-N 3.22Å
88Y92.5Very high85.5Confident1 Ų146.5 Ų46.50%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-123.8153.7177.970.9-89.5000111.1I17 V31 I32 G33 L35 C49 S51 L116I17-Y88 HydrophobicContact CB-CE2 4.27Å; I17-Y88 HydrophobicContact CD1-CD1 4.25Å; I17-Y88 HydrophobicContact CD1-CD2 3.91Å; I17-Y88 HydrophobicContact CD1-CE2 4.34Å; I17-Y88 HydrophobicContact CD1-CG 3.85Å; I17-Y88 HydrophobicContact CG1-CD1 4.25Å; I17-Y88 HydrophobicContact CG1-CD2 3.76Å; I17-Y88 HydrophobicContact CG1-CE1 4.14Å; I17-Y88 HydrophobicContact CG1-CE2 3.67Å; I17-Y88 HydrophobicContact CG1-CG 4.05Å; I17-Y88 HydrophobicContact CG2-CD2 4.02Å; I17-Y88 HydrophobicContact CG2-CE2 3.96Å; V31-Y88 HydrophobicContact CG1-CE2 4.26Å; I32-Y88 WeakPolarHBondContact CA-O 2.96Å; G33-Y88 VanDerWaalsContact C-CE1 3.48Å; G33-Y88 PolarHBondContact N-O 3.28Å; G33-Y88 VanDerWaalsContact N-O 3.07Å; G33-Y88 PolarHBondContact O-N 3.44Å; L35-Y88 HydrophobicContact CD2-CD1 3.58Å; L35-Y88 HydrophobicContact CD2-CE1 4.47Å; L35-Y88 HydrophobicContact CD2-CG 4.24Å; L35-Y88 HydrophobicContact CG-CD1 4.1Å; C49-Y88 HydrophobicContact CB-CD1 4.25Å; C49-Y88 HydrophobicContact CB-CE1 3.88Å; S51-Y88 WeakPolarHBondContact CA-OH 3.31Å; S51-Y88 PolarHBondContact N-OH 3.32Å; Y88-L116 CarbonylContact C-O 3.58Å; Y88-L116 WeakPolarHBondContact CA-O 3.44Å; Y88-L116 WeakPolarHBondContact CB-O 3.35Å
89A90.1Very high84.8Confident0 Ų045.1 Ų45.10%024%0.242CC..EExtended strand (participates in β ladder)trans-137146.2166.800000110.1V31 I32 W87 L98 F115 L116 M117 V118V31-A89 WeakPolarHBondContact O-CA 3.46Å; I32-A89 HydrophobicContact CG1-CB 4.34Å; W87-A89 HydrophobicContact CZ3-CB 3.94Å; A89-L98 HydrophobicContact CB-CD1 3.89Å; A89-L98 HydrophobicContact CB-CD2 4.12Å; A89-F115 HydrophobicContact CB-CE2 3.67Å; A89-F115 HydrophobicContact CB-CZ 4.02Å; A89-L116 PolarHBondContact N-O 3.37Å; A89-M117 WeakPolarHBondContact O-CA 3.44Å; A89-V118 PolarHBondContact O-N 2.89Å; A89-V118 VanDerWaalsContact O-N 3.11Å
90T88.3Confident84.2Confident2 Ų246.4 Ų46.41%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-85.9140.8170.662.20000110.9I17 Y21 R30 V31 V118 T120I17-T90 HydrophobicContact CG2-CG2 3.98Å; Y21-T90 HydrophobicContact CD2-CG2 3.98Å; R30-T90 WeakPolarHBondContact CA-OG1 3.49Å; V31-T90 HydrophobicContact CB-CG2 4.17Å; V31-T90 PolarHBondContact N-OG1 3.22Å; V31-T90 PolarHBondContact O-N 3.14Å; T90-V118 VanDerWaalsContact CA-O 3.29Å; T90-V118 WeakPolarHBondContact CA-O 3.5Å; T90-T120 HydrophobicContact CG2-CG2 3.96Å
91G84.3Confident83.7Confident11 Ų1141.5 Ų41.511%0.11322%0.216CC..SBendtrans140.3168.1177.400000113.5M117 V118G91-M117 WeakPolarHBondContact O-CG 3.45Å; G91-V118 PolarHBondContact N-O 3.37Å
92N80.4Confident83.2Confident86 Ų8639 Ų3946%0.4620%0.198SC..SBendtrans-91.2-35.9-180-178.4-2.9000112.4M117N92-M117 VanDerWaalsContact O-SD 3.42Å
93E79.9Confident82.6Confident149 Ų14942 Ų4270%0.69621%0.212SC*.SBendtrans-111.7151.6-174.5-62.9-172170.200112.4P95 M117E93-P95 WeakPolarHBondContact O-CD 3.45Å; E93-M117 VanDerWaalsContact C-CE 3.47Å; E93-M117 WeakPolarHBondContact O-CE 3.49Å
94I79.9Confident81.8Confident51 Ų5142.6 Ų42.626%0.26222%0.215SC..  trans-92.692.1176.4-50.9172.2000108.2L98 F115 M117 Y133 F149I94-L98 HydrophobicContact CG2-CB 4.32Å; I94-F115 HydrophobicContact CD1-CE1 4.48Å; I94-F115 HydrophobicContact CG1-CE1 4.22Å; I94-F115 HydrophobicContact CG2-CE1 4.5Å; I94-M117 HydrophobicContact CB-CE 4.24Å; I94-M117 HydrophobicContact CG1-CE 3.53Å; I94-M117 HydrophobicContact CG1-SD 4.04Å; I94-Y133 HydrophobicContact CD1-CD2 4.29Å; I94-Y133 HydrophobicContact CD1-CE1 4.24Å; I94-Y133 HydrophobicContact CD1-CE2 3.96Å; I94-F149 HydrophobicContact CD1-CD2 4.22Å; I94-F149 HydrophobicContact CG2-CD2 4.1Å; I94-F149 HydrophobicContact CG2-CE2 3.89Å
95P78.4Confident81Confident29 Ų2942.2 Ų42.219%0.18822%0.215CC..  trans-66.6161.317434.8-42000110.3E93 T97 L98E93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-T97 WeakPolarHBondContact CG-OG1 3.41Å; P95-T97 PolarHBondContact O-N 3.37Å; P95-L98 HydrophobicContact CG-CB 4.29Å; P95-L98 HydrophobicContact CG-CD1 4.19Å; P95-L98 HydrophobicContact CG-CG 3.68Å; P95-L98 PolarHBondContact O-N 3.03Å
96E77.9Confident80.5Confident150 Ų15041.8 Ų41.870%0.70121%0.212SC*.Hα-helixtrans-63.4-28178.4-63.5-168.715400112.8L98 K99 L100E96-L98 VanDerWaalsContact C-N 3.25Å; E96-L98 PolarHBondContact O-N 3.2Å; E96-K99 VanDerWaalsContact O-CB 3.32Å; E96-K99 WeakPolarHBondContact O-CB 3.33Å; E96-K99 PolarHBondContact O-N 3.15Å; E96-L100 PolarHBondContact O-N 3.47Å
97T77Confident79.7Confident25 Ų2542.8 Ų42.815%0.15322%0.217CC..Hα-helixtrans-57.1-37.5174.953.30000112.4V61 P95 K99 L100 I101V61-T97 HydrophobicContact CG2-CG2 4.2Å; P95-T97 WeakPolarHBondContact CG-OG1 3.41Å; P95-T97 PolarHBondContact O-N 3.37Å; T97-K99 VanDerWaalsContact C-N 3.3Å; T97-K99 PolarHBondContact O-N 3.45Å; T97-L100 PolarHBondContact O-N 3.46Å; T97-I101 WeakPolarHBondContact O-CG1 3.44Å; T97-I101 PolarHBondContact O-N 3.15Å; T97-I101 VanDerWaalsContact O-N 3.16Å
98L78.2Confident78.7Confident3 Ų350.1 Ų50.12%0.01625%0.251CS..Hα-helixtrans-67.4-29.8176.7-72.5-164.5000112.7I32 W87 A89 I94 P95 E96 I101 H102 F115 M117I32-L98 HydrophobicContact CD1-CD2 4.36Å; W87-L98 HydrophobicContact CH2-CB 3.82Å; W87-L98 HydrophobicContact CH2-CD1 4.2Å; W87-L98 HydrophobicContact CH2-CD2 3.69Å; W87-L98 HydrophobicContact CH2-CG 4.05Å; W87-L98 HydrophobicContact CZ3-CD2 3.78Å; A89-L98 HydrophobicContact CB-CD1 3.89Å; A89-L98 HydrophobicContact CB-CD2 4.12Å; I94-L98 HydrophobicContact CG2-CB 4.32Å; P95-L98 HydrophobicContact CG-CB 4.29Å; P95-L98 HydrophobicContact CG-CD1 4.19Å; P95-L98 HydrophobicContact CG-CG 3.68Å; P95-L98 PolarHBondContact O-N 3.03Å; E96-L98 VanDerWaalsContact C-N 3.25Å; E96-L98 PolarHBondContact O-N 3.2Å; L98-I101 HydrophobicContact CD2-CD1 4.1Å; L98-H102 WeakPolarHBondContact O-CB 3.44Å; L98-H102 PolarHBondContact O-N 2.95Å; L98-H102 VanDerWaalsContact O-N 3.09Å; L98-F115 HydrophobicContact CD1-CE1 4.27Å; L98-F115 HydrophobicContact CD1-CE2 4.07Å; L98-F115 HydrophobicContact CD1-CZ 3.47Å; L98-F115 VanDerWaalsContact CD1-CZ 3.47Å; L98-M117 HydrophobicContact CD1-CE 4.2Å
99K76.5Confident77.5Confident87 Ų8756 Ų5638%0.37828%0.276SS..Hα-helixtrans-66.8-41.6175.1-64.1174.2-174.4171.10110.9E96 T97 H102 Q103 F149E96-K99 VanDerWaalsContact O-CB 3.32Å; E96-K99 WeakPolarHBondContact O-CB 3.33Å; E96-K99 PolarHBondContact O-N 3.15Å; T97-K99 VanDerWaalsContact C-N 3.3Å; T97-K99 PolarHBondContact O-N 3.45Å; K99-H102 PolarHBondContact O-N 3.14Å; K99-Q103 PolarHBondContact O-N 3.46Å; K99-Q103 VanDerWaalsContact O-N 3.09Å; K99-F149 HydrophobicContact CG-CE2 3.82Å
100L77Confident76.4Confident79 Ų7957.7 Ų57.741%0.41429%0.288SS..Hα-helixtrans-62-48.8177.2-65.5171.5000110.9E96 T97 H102 Q103 D104E96-L100 PolarHBondContact O-N 3.47Å; T97-L100 PolarHBondContact O-N 3.46Å; L100-H102 VanDerWaalsContact C-N 3.29Å; L100-H102 PolarHBondContact O-N 3.23Å; L100-Q103 PolarHBondContact O-N 2.91Å; L100-Q103 VanDerWaalsContact O-N 3.13Å; L100-D104 PolarHBondContact O-N 3.25Å
101I78Confident75.4Confident6 Ų666.7 Ų66.73%0.03133%0.327CS..Hα-helixtrans-55.1-46.2176.2-70.3174.7000111.7I32 V61 M63 W87 T97 L98 Q103 V105 Y106I32-I101 HydrophobicContact CD1-CD1 3.65Å; V61-I101 HydrophobicContact CB-CD1 3.78Å; V61-I101 HydrophobicContact CB-CG1 4.34Å; V61-I101 HydrophobicContact CG1-CD1 3.58Å; V61-I101 HydrophobicContact CG1-CG1 4.48Å; V61-I101 HydrophobicContact CG2-CD1 4.46Å; M63-I101 HydrophobicContact CE-CB 4.31Å; M63-I101 HydrophobicContact CE-CG1 4.38Å; M63-I101 HydrophobicContact CE-CG2 3.35Å; M63-I101 HydrophobicContact SD-CG2 3.92Å; W87-I101 HydrophobicContact CE3-CG2 4.26Å; W87-I101 HydrophobicContact CH2-CB 4.47Å; W87-I101 HydrophobicContact CH2-CG2 4.12Å; W87-I101 HydrophobicContact CZ2-CG2 4.46Å; W87-I101 HydrophobicContact CZ3-CG2 4.02Å; T97-I101 WeakPolarHBondContact O-CG1 3.44Å; T97-I101 PolarHBondContact O-N 3.15Å; T97-I101 VanDerWaalsContact O-N 3.16Å; L98-I101 HydrophobicContact CD2-CD1 4.1Å; I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 PolarHBondContact O-N 3.39Å; I101-V105 WeakPolarHBondContact O-CB 3.5Å; I101-V105 PolarHBondContact O-N 3.44Å; I101-V105 VanDerWaalsContact O-N 3.08Å; I101-Y106 HydrophobicContact CG2-CD2 4.29Å; I101-Y106 HydrophobicContact CG2-CE2 4.11Å
102H76.7Confident75Confident2 Ų269.3 Ų69.31%0.00934%0.338CS..Iπ-helixtrans-60.7-44.5-179.8-169.571.6000111.8W87 L98 K99 L100 Y106 M107 A113 C135 F149W87-H102 AromaticContact CD1-ND1 3.76Å; W87-H102 AromaticContact CE2-ND1 3.78Å; W87-H102 HydrophobicContact CZ2-CB 3.96Å; W87-H102 AromaticContact NE1-CE1 3.79Å; W87-H102 AromaticContact NE1-CG 3.94Å; W87-H102 AromaticContact NE1-ND1 2.92Å; W87-H102 PolarHBondContact NE1-ND1 2.94Å; L98-H102 WeakPolarHBondContact O-CB 3.44Å; L98-H102 PolarHBondContact O-N 2.95Å; L98-H102 VanDerWaalsContact O-N 3.09Å; K99-H102 PolarHBondContact O-N 3.14Å; L100-H102 VanDerWaalsContact C-N 3.29Å; L100-H102 PolarHBondContact O-N 3.23Å; H102-Y106 PolarHBondContact O-N 2.93Å; H102-M107 VanDerWaalsContact CD2-CG 3.49Å; H102-M107 WeakPolarHBondContact CD2-CG 3.49Å; H102-M107 WeakPolarHBondContact NE2-CE 3.41Å; H102-M107 WeakPolarHBondContact NE2-CG 3.4Å; H102-M107 WeakPolarHBondContact O-CB 3.28Å; H102-M107 PolarHBondContact O-N 3.43Å; H102-A113 PolarHBondContact CE1-O 3.44Å; H102-C135 VanDerWaalsContact CD2-CB 3.44Å; H102-C135 WeakPolarHBondContact CD2-CB 3.48Å; H102-C135 PolarHBondContact CD2-SG 3.07Å; H102-C135 WeakPolarHBondContact NE2-CB 3.41Å; H102-F149 HydrophobicContact CB-CZ 4.21Å
103Q72.9Confident75.2Confident84 Ų8465.3 Ų65.339%0.39332%0.317SS..Iπ-helixtrans-66.8-50.4-179.1177.2175.1-17.300112.1K99 L100 I101 F147K99-Q103 PolarHBondContact O-N 3.46Å; K99-Q103 VanDerWaalsContact O-N 3.09Å; L100-Q103 PolarHBondContact O-N 2.91Å; L100-Q103 VanDerWaalsContact O-N 3.13Å; I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 PolarHBondContact O-N 3.39Å; Q103-F147 HydrophobicContact CB-CE2 4.32Å; Q103-F147 HydrophobicContact CB-CZ 4.38Å; Q103-F147 HydrophobicContact CG-CE2 4Å; Q103-F147 HydrophobicContact CG-CZ 3.98Å; Q103-F147 VanDerWaalsContact OE1-CE2 3.29Å
104D71.5Confident75.6Confident86 Ų8658.3 Ų58.346%0.4629%0.285SS..Iπ-helixtrans-79.9-32.3-168.3-69.1-20.1000112.3L100 Q108L100-D104 PolarHBondContact O-N 3.25Å; D104-Q108 WeakPolarHBondContact O-CG 3.46Å; D104-Q108 PolarHBondContact O-NE2 3.26Å; D104-Q108 VanDerWaalsContact O-NE2 3.13Å; D104-Q108 PolarHBondContact O-OE1 3.46Å
105V72.5Confident76.1Confident23 Ų2355.9 Ų55.914%0.13927%0.272CS..Iπ-helixtrans-109.8-37.4-167.2-179.50000113.8M63 K68 I101M63-V105 HydrophobicContact CE-CB 3.58Å; M63-V105 HydrophobicContact CE-CG1 3.57Å; M63-V105 HydrophobicContact CE-CG2 3.47Å; M63-V105 VanDerWaalsContact CE-CG2 3.47Å; K68-V105 HydrophobicContact CD-CG1 4.39Å; K68-V105 PolarHBondContact NZ-O 3.1Å; I101-V105 WeakPolarHBondContact O-CB 3.5Å; I101-V105 PolarHBondContact O-N 3.44Å; I101-V105 VanDerWaalsContact O-N 3.08Å
106Y77.2Confident76.7Confident4 Ų454.6 Ų54.62%0.01626%0.264CS..Iπ-helixtrans-104.9-42.5-172.7-67.9-77.5000113T34 M63 K68 I84 W87 I101 H102 Q108 K109 S110T34-Y106 HydrophobicContact CG2-CE1 4.14Å; T34-Y106 PolarHBondContact OG1-OH 3.41Å; M63-Y106 HydrophobicContact CE-CE2 4.04Å; K68-Y106 HydrophobicContact CD-CE1 4.45Å; I84-Y106 HydrophobicContact CG2-CD1 4.43Å; I84-Y106 HydrophobicContact CG2-CE1 4.5Å; W87-Y106 HydrophobicContact CB-CD1 4.21Å; W87-Y106 HydrophobicContact CB-CD2 3.99Å; W87-Y106 HydrophobicContact CB-CE1 3.75Å; W87-Y106 HydrophobicContact CB-CE2 3.48Å; W87-Y106 VanDerWaalsContact CB-CE2 3.48Å; W87-Y106 HydrophobicContact CB-CG 4.32Å; W87-Y106 AromaticContact CD1-CD2 3.75Å; W87-Y106 AromaticContact CD1-CG 3.94Å; W87-Y106 HydrophobicContact CD2-CD2 4.14Å; W87-Y106 AromaticContact CD2-CE2 3.96Å; W87-Y106 HydrophobicContact CD2-CE2 3.96Å; W87-Y106 HydrophobicContact CE3-CE2 4.43Å; W87-Y106 AromaticContact CG-CD2 3.66Å; W87-Y106 HydrophobicContact CG-CD2 3.66Å; W87-Y106 HydrophobicContact CG-CE1 4.43Å; W87-Y106 AromaticContact CG-CE2 3.53Å; W87-Y106 HydrophobicContact CG-CE2 3.53Å; W87-Y106 HydrophobicContact CG-CG 4.16Å; W87-Y106 AromaticContact CG-CZ 3.95Å; I101-Y106 HydrophobicContact CG2-CD2 4.29Å; I101-Y106 HydrophobicContact CG2-CE2 4.11Å; H102-Y106 PolarHBondContact O-N 2.93Å; Y106-Q108 PolarHBondContact O-N 2.94Å; Y106-K109 PolarHBondContact O-N 3.25Å; Y106-K109 VanDerWaalsContact O-N 3.08Å; Y106-S110 PolarHBondContact O-N 3.05Å
107M72.8Confident77.3Confident21 Ų2147.6 Ų47.610%0.10323%0.231CC..THydrogen-bonded Turntrans-63.6-25.2177.3-88.1-111.6165.300113.8H102 K109 C135 K137 F147H102-M107 VanDerWaalsContact CD2-CG 3.49Å; H102-M107 WeakPolarHBondContact CD2-CG 3.49Å; H102-M107 WeakPolarHBondContact NE2-CE 3.41Å; H102-M107 WeakPolarHBondContact NE2-CG 3.4Å; H102-M107 WeakPolarHBondContact O-CB 3.28Å; H102-M107 PolarHBondContact O-N 3.43Å; M107-K109 VanDerWaalsContact C-N 3.31Å; M107-C135 HydrophobicContact CE-CB 3.66Å; M107-C135 WeakPolarHBondContact CE-O 3.2Å; M107-K137 HydrophobicContact SD-CD 4.36Å; M107-K137 WeakPolarHBondContact SD-CE 3.03Å; M107-K137 HydrophobicContact SD-CG 4.19Å; M107-F147 HydrophobicContact CE-CD1 4.21Å; M107-F147 HydrophobicContact CE-CE1 4.19Å; M107-F147 HydrophobicContact CG-CE1 4.45Å; M107-F147 HydrophobicContact SD-CD1 4.23Å; M107-F147 HydrophobicContact SD-CE1 3.62Å
108Q70.3Confident77.9Confident153 Ų15346.4 Ų46.472%0.71522%0.224SC*.THydrogen-bonded Turntrans-65.5-35.1174-67.1-170.11.600112.3D104 Y106D104-Q108 WeakPolarHBondContact O-CG 3.46Å; D104-Q108 PolarHBondContact O-NE2 3.26Å; D104-Q108 VanDerWaalsContact O-NE2 3.13Å; D104-Q108 PolarHBondContact O-OE1 3.46Å; Y106-Q108 PolarHBondContact O-N 2.94Å
109K67.6Low78.2Confident125 Ų12547.5 Ų47.554%0.54323%0.23SC..THydrogen-bonded Turntrans-97.3-34.4-173.9-66.4-169.9178.8-171.70113.1N69 Y106 M107N69-K109 PolarHBondContact OD1-NZ 2.89Å; Y106-K109 PolarHBondContact O-N 3.25Å; Y106-K109 VanDerWaalsContact O-N 3.08Å; M107-K109 VanDerWaalsContact C-N 3.31Å
110S66.8Low78.2Confident36 Ų3644.6 Ų44.625%0.25222%0.219SC..  trans-134.2123.2-173.6-63.40000111.2Y106 N112Y106-S110 PolarHBondContact O-N 3.05Å; S110-N112 VanDerWaalsContact C-N 3.27Å; S110-N112 PolarHBondContact O-N 2.65Å
111K67.2Low77.9Confident191 Ų19146 Ų4683%0.8323%0.227SC*.THydrogen-bonded Turntrans-65.9-29.5179.7-68.3-177.7179.9177.90113.2
112N75.8Confident77.3Confident65 Ų6551.1 Ų51.135%0.34825%0.252SS..THydrogen-bonded Turntrans-12152.4-174.8-65.2-8.7000110.8S110 I114 L134S110-N112 VanDerWaalsContact C-N 3.27Å; S110-N112 PolarHBondContact O-N 2.65Å; N112-I114 PolarHBondContact O-N 3.19Å; N112-L134 HydrophobicContact CB-CD1 4.45Å
113A84.3Confident76.7Confident2 Ų255.6 Ų55.62%0.01728%0.28CS..  trans-73125.6176.800000110.6V85 H102V85-A113 WeakPolarHBondContact O-CA 3.48Å; H102-A113 PolarHBondContact CE1-O 3.44Å
114I88.7Confident75.8Confident3 Ų360.2 Ų60.22%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-78.6144171.6-59.2160.2000109.5V7 I44 V85 G86 W87 N112 A132V7-I114 HydrophobicContact CG1-CD1 4.13Å; V7-I114 HydrophobicContact CG2-CD1 3.69Å; V7-I114 HydrophobicContact CG2-CG1 4.3Å; V7-I114 HydrophobicContact CG2-CG2 4.44Å; I44-I114 HydrophobicContact CB-CD1 3.56Å; I44-I114 HydrophobicContact CD1-CD1 3.43Å; I44-I114 VanDerWaalsContact CD1-CD1 3.43Å; I44-I114 HydrophobicContact CD1-CG1 3.7Å; I44-I114 HydrophobicContact CG1-CD1 3.99Å; I44-I114 HydrophobicContact CG2-CD1 3.3Å; V85-I114 PolarHBondContact O-N 3.34Å; G86-I114 CarbonylContact C-O 3.6Å; G86-I114 WeakPolarHBondContact CA-O 3.33Å; W87-I114 VanDerWaalsContact CD1-O 3.32Å; W87-I114 PolarHBondContact N-O 2.77Å; N112-I114 PolarHBondContact O-N 3.19Å; I114-A132 HydrophobicContact CG2-CB 4.12Å
115F90.5Very high75.2Confident0 Ų059.7 Ų59.70%032%0.321CS..EExtended strand (participates in β ladder)trans-110.2114.4164.4173.3-126.1000109.9W87 A89 I94 L98 M117 A132 Y133 F149W87-F115 AromaticContact CD2-CD2 3.71Å; W87-F115 HydrophobicContact CD2-CD2 3.71Å; W87-F115 HydrophobicContact CD2-CE2 4.23Å; W87-F115 AromaticContact CE2-CD2 3.27Å; W87-F115 AromaticContact CE2-CE2 3.98Å; W87-F115 AromaticContact CE2-CG 3.95Å; W87-F115 AromaticContact CE3-CD2 3.97Å; W87-F115 HydrophobicContact CE3-CD2 3.97Å; W87-F115 HydrophobicContact CE3-CE2 4Å; W87-F115 HydrophobicContact CG-CD2 4.44Å; W87-F115 AromaticContact CH2-CD2 3.54Å; W87-F115 HydrophobicContact CH2-CD2 3.54Å; W87-F115 AromaticContact CH2-CE2 3.36Å; W87-F115 HydrophobicContact CH2-CE2 3.36Å; W87-F115 HydrophobicContact CH2-CG 4.41Å; W87-F115 HydrophobicContact CH2-CZ 4.15Å; W87-F115 HydrophobicContact CZ2-CB 4.3Å; W87-F115 AromaticContact CZ2-CD2 3.2Å; W87-F115 HydrophobicContact CZ2-CD2 3.2Å; W87-F115 AromaticContact CZ2-CE2 3.57Å; W87-F115 HydrophobicContact CZ2-CE2 3.57Å; W87-F115 AromaticContact CZ2-CG 3.79Å; W87-F115 HydrophobicContact CZ2-CG 3.79Å; W87-F115 HydrophobicContact CZ2-CZ 4.42Å; W87-F115 AromaticContact CZ3-CD2 3.9Å; W87-F115 HydrophobicContact CZ3-CD2 3.9Å; W87-F115 AromaticContact CZ3-CE2 3.59Å; W87-F115 HydrophobicContact CZ3-CE2 3.59Å; W87-F115 AromaticContact NE1-CD2 3.69Å; W87-F115 WeakPolarHBondContact O-CA 3.49Å; A89-F115 HydrophobicContact CB-CE2 3.67Å; A89-F115 HydrophobicContact CB-CZ 4.02Å; I94-F115 HydrophobicContact CD1-CE1 4.48Å; I94-F115 HydrophobicContact CG1-CE1 4.22Å; I94-F115 HydrophobicContact CG2-CE1 4.5Å; L98-F115 HydrophobicContact CD1-CE1 4.27Å; L98-F115 HydrophobicContact CD1-CE2 4.07Å; L98-F115 HydrophobicContact CD1-CZ 3.47Å; L98-F115 VanDerWaalsContact CD1-CZ 3.47Å; F115-M117 HydrophobicContact CE1-CB 4.11Å; F115-M117 HydrophobicContact CE1-CE 3.86Å; F115-M117 HydrophobicContact CZ-CB 4.11Å; F115-M117 HydrophobicContact CZ-CE 3.77Å; F115-A132 CarbonylContact O-C 3.56Å; F115-A132 WeakPolarHBondContact O-CA 3.08Å; F115-Y133 AromaticContact CD1-CD2 3.75Å; F115-Y133 HydrophobicContact CD1-CD2 3.75Å; F115-Y133 HydrophobicContact CD1-CG 4.31Å; F115-Y133 HydrophobicContact CE1-CD2 4.1Å; F115-Y133 PolarHBondContact N-O 2.88Å; F115-Y133 PolarHBondContact O-N 3.4Å; F115-F149 HydrophobicContact CB-CD1 4.42Å; F115-F149 HydrophobicContact CB-CE1 4Å; F115-F149 HydrophobicContact CD1-CD1 4.34Å; F115-F149 HydrophobicContact CD1-CE1 4.13Å; F115-F149 HydrophobicContact CD1-CZ 4.41Å; F115-F149 HydrophobicContact CG-CE1 4.31Å
116L91.1Very high74.9Confident1 Ų163.5 Ų63.51%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-97.4122.9174.6-17174.3000109.6V9 I17 L35 W87 Y88 A89 V118 I130 A132V9-L116 HydrophobicContact CG2-CD1 4.45Å; I17-L116 HydrophobicContact CD1-CD2 3.99Å; L35-L116 HydrophobicContact CD1-CB 3.66Å; L35-L116 HydrophobicContact CD1-CD2 4.27Å; L35-L116 HydrophobicContact CD2-CD2 4.45Å; W87-L116 PolarHBondContact O-N 3.22Å; Y88-L116 CarbonylContact C-O 3.58Å; Y88-L116 WeakPolarHBondContact CA-O 3.44Å; Y88-L116 WeakPolarHBondContact CB-O 3.35Å; A89-L116 PolarHBondContact N-O 3.37Å; L116-V118 HydrophobicContact CD2-CG2 4.04Å; L116-V118 HydrophobicContact CG-CG2 4.1Å; L116-I130 HydrophobicContact CD1-CG2 3.69Å; L116-I130 HydrophobicContact CG-CG2 4.42Å; L116-A132 HydrophobicContact CD1-CB 4.09Å
117M90.7Very high74.4Confident4 Ų472.6 Ų72.62%0.0238%0.38CS..EExtended strand (participates in β ladder)trans-106124.7173.9179.6168-88.400109A89 G91 N92 E93 I94 L98 F115 K131 Y133A89-M117 WeakPolarHBondContact O-CA 3.44Å; G91-M117 WeakPolarHBondContact O-CG 3.45Å; N92-M117 VanDerWaalsContact O-SD 3.42Å; E93-M117 VanDerWaalsContact C-CE 3.47Å; E93-M117 WeakPolarHBondContact O-CE 3.49Å; I94-M117 HydrophobicContact CB-CE 4.24Å; I94-M117 HydrophobicContact CG1-CE 3.53Å; I94-M117 HydrophobicContact CG1-SD 4.04Å; L98-M117 HydrophobicContact CD1-CE 4.2Å; F115-M117 HydrophobicContact CE1-CB 4.11Å; F115-M117 HydrophobicContact CE1-CE 3.86Å; F115-M117 HydrophobicContact CZ-CB 4.11Å; F115-M117 HydrophobicContact CZ-CE 3.77Å; M117-K131 PolarHBondContact N-O 2.89Å; M117-K131 PolarHBondContact O-N 3.42Å; M117-Y133 HydrophobicContact CB-CD2 4.47Å; M117-Y133 HydrophobicContact CB-CE2 4.09Å; M117-Y133 HydrophobicContact SD-CE2 4.42Å
118V89.1Confident74.4Confident0 Ų074.3 Ų74.30%039%0.389CS..EExtended strand (participates in β ladder)trans-117.3112.8-179.6178.90000108.4I17 A89 T90 G91 L116 T120 M128I17-V118 HydrophobicContact CD1-CG2 3.97Å; I17-V118 HydrophobicContact CG2-CB 4.18Å; I17-V118 HydrophobicContact CG2-CG1 4.14Å; I17-V118 HydrophobicContact CG2-CG2 4.24Å; A89-V118 PolarHBondContact O-N 2.89Å; A89-V118 VanDerWaalsContact O-N 3.11Å; T90-V118 VanDerWaalsContact CA-O 3.29Å; T90-V118 WeakPolarHBondContact CA-O 3.5Å; G91-V118 PolarHBondContact N-O 3.37Å; L116-V118 HydrophobicContact CD2-CG2 4.04Å; L116-V118 HydrophobicContact CG-CG2 4.1Å; V118-T120 HydrophobicContact CG1-CG2 4.44Å; V118-T120 PolarHBondContact O-N 2.96Å; V118-M128 HydrophobicContact CG1-CE 3.07Å
119D85.9Confident74.8Confident25 Ų2568.8 Ų68.813%0.13437%0.369CS..  trans-79.9115.5176.6-164.7-2.5000110.2N121 A129D119-N121 PolarHBondContact OD1-N 3.47Å; D119-A129 HydrophobicContact CB-CB 4.1Å; D119-A129 PolarHBondContact N-O 3.09Å
120T75.5Confident75.8Confident26 Ų2665 Ų6516%0.1635%0.354CS..  trans-99-6.8178.850.90000112.3Y21 T90 V118 M122Y21-T120 HydrophobicContact CD1-CG2 3.93Å; Y21-T120 HydrophobicContact CD2-CG2 3.98Å; Y21-T120 HydrophobicContact CE1-CG2 4.16Å; Y21-T120 HydrophobicContact CE2-CG2 4.21Å; Y21-T120 VanDerWaalsContact CE2-OG1 3.26Å; Y21-T120 WeakPolarHBondContact CE2-OG1 3.3Å; Y21-T120 HydrophobicContact CG-CG2 3.83Å; Y21-T120 PolarHBondContact OH-OG1 2.9Å; T90-T120 HydrophobicContact CG2-CG2 3.96Å; V118-T120 HydrophobicContact CG1-CG2 4.44Å; V118-T120 PolarHBondContact O-N 2.96Å; T120-M122 VanDerWaalsContact C-N 3.35Å; T120-M122 PolarHBondContact O-N 3.17Å; T120-M122 VanDerWaalsContact O-N 3.09Å
121N71.3Confident76.8Confident110 Ų11067.4 Ų67.459%0.58836%0.36SS*.  trans-86.479.9177.7-72.1-19.2000109.3D119 T123D119-N121 PolarHBondContact OD1-N 3.47Å; N121-T123 PolarHBondContact O-N 2.99Å
122M64.8Low77.9Confident112 Ų11258.4 Ų58.455%0.55232%0.321SS*.  trans-82.4116.2176.7-60.1-176.279.100110.1T120 D126 M128T120-M122 VanDerWaalsContact C-N 3.35Å; T120-M122 PolarHBondContact O-N 3.17Å; T120-M122 VanDerWaalsContact O-N 3.09Å; M122-D126 WeakPolarHBondContact CE-O 3.47Å; M122-M128 HydrophobicContact CE-CB 4.09Å; M122-M128 HydrophobicContact SD-CB 4.33Å
123T63.3Low78.6Confident97 Ų9756.9 Ų56.960%0.59531%0.311SS*.  trans-70142.7155.7-46.60000107.7N121 G125 D126N121-T123 PolarHBondContact O-N 2.99Å; T123-G125 PolarHBondContact O-N 2.96Å; T123-D126 WeakPolarHBondContact CB-OD2 3.3Å; T123-D126 PolarHBondContact O-N 3.44Å
124I55.7Low78.7Confident180 Ų18057.4 Ų57.492%0.92331%0.313SS*.THydrogen-bonded Turntrans-56.2112.3179.9-58.6165.8000109.1
125G57.8Low78.2Confident76 Ų7657.5 Ų57.578%0.78431%0.314SS*.THydrogen-bonded Turntrans107.4-13.2-179.300000115.2T123T123-G125 PolarHBondContact O-N 2.96Å
126D65.7Low77.7Confident102 Ų10263.4 Ų63.455%0.54534%0.336SS..PPolyproline II helixtrans-83.1140.4174.7-75.7-25.7000111.3M122 T123M122-D126 WeakPolarHBondContact CE-O 3.47Å; T123-D126 WeakPolarHBondContact CB-OD2 3.3Å; T123-D126 PolarHBondContact O-N 3.44Å
127K67.8Low77.1Confident195 Ų19570.2 Ų70.285%0.84837%0.366SS*.PPolyproline II helixtrans-75.2139.8175.2-65.7-179.6-179.9-1790109.2A129K127-A129 PolarHBondContact O-N 3.33Å; K127-A129 VanDerWaalsContact O-N 3.12Å
128M71.8Confident76.4Confident58 Ų5876.3 Ų76.329%0.28640%0.396SS..PPolyproline II helixtrans-56.1117.2171.5-172.3172.5-176.200109.4V18 V118 M122 I130V18-M128 HydrophobicContact CG2-CE 3.73Å; V118-M128 HydrophobicContact CG1-CE 3.07Å; M122-M128 HydrophobicContact CE-CB 4.09Å; M122-M128 HydrophobicContact SD-CB 4.33Å; M128-I130 PolarHBondContact O-N 3.27Å
129A80.5Confident75.8Confident36 Ų3678.5 Ų78.530%0.29842%0.418SS..  trans-87.3113-17800000109.6D119 K127D119-A129 HydrophobicContact CB-CB 4.1Å; D119-A129 PolarHBondContact N-O 3.09Å; K127-A129 PolarHBondContact O-N 3.33Å; K127-A129 VanDerWaalsContact O-N 3.12Å
130I87.4Confident75.5Confident47 Ų4783.5 Ų83.524%0.24144%0.443CS..EExtended strand (participates in β ladder)trans-104.1117.7173.8-56.7160.8000107.2L14 L116 M128 V154L14-I130 HydrophobicContact CD1-CD1 3.56Å; L14-I130 HydrophobicContact CD2-CD1 3.61Å; L14-I130 HydrophobicContact CD2-CG1 4.12Å; L14-I130 HydrophobicContact CG-CD1 4.25Å; L116-I130 HydrophobicContact CD1-CG2 3.69Å; L116-I130 HydrophobicContact CG-CG2 4.42Å; M128-I130 PolarHBondContact O-N 3.27Å; I130-V154 HydrophobicContact CG2-CG1 3.98Å
131K89Confident75.6Confident86 Ų8688.3 Ų88.337%0.37448%0.475SS..EExtended strand (participates in β ladder)trans-123.2126.7178.7-62.1177.8-170.9161.60108.9M117 Y133M117-K131 PolarHBondContact N-O 2.89Å; M117-K131 PolarHBondContact O-N 3.42Å; K131-Y133 HydrophobicContact CB-CE2 3.72Å; K131-Y133 WeakPolarHBondContact CD-OH 3.42Å
132A90.3Very high75.8Confident1 Ų187.4 Ų87.41%0.00849%0.492CS..EExtended strand (participates in β ladder)trans-101.6144.6168.600000110.3V7 I114 F115 L116 V152 V154V7-A132 HydrophobicContact CB-CB 4.44Å; V7-A132 HydrophobicContact CG2-CB 4.21Å; I114-A132 HydrophobicContact CG2-CB 4.12Å; F115-A132 CarbonylContact O-C 3.56Å; F115-A132 WeakPolarHBondContact O-CA 3.08Å; L116-A132 HydrophobicContact CD1-CB 4.09Å; A132-V152 HydrophobicContact CB-CB 4.27Å; A132-V152 PolarHBondContact O-N 3.08Å; A132-V154 HydrophobicContact CB-CG2 3.23Å
133Y88.7Confident76.4Confident34 Ų3484 Ų8413%0.13349%0.486CS..EExtended strand (participates in β ladder)trans-129.4132.5177-62.2-82.2000109.6I94 F115 M117 K131 F149 V150 P151I94-Y133 HydrophobicContact CD1-CD2 4.29Å; I94-Y133 HydrophobicContact CD1-CE1 4.24Å; I94-Y133 HydrophobicContact CD1-CE2 3.96Å; F115-Y133 AromaticContact CD1-CD2 3.75Å; F115-Y133 HydrophobicContact CD1-CD2 3.75Å; F115-Y133 HydrophobicContact CD1-CG 4.31Å; F115-Y133 HydrophobicContact CE1-CD2 4.1Å; F115-Y133 PolarHBondContact N-O 2.88Å; F115-Y133 PolarHBondContact O-N 3.4Å; M117-Y133 HydrophobicContact CB-CD2 4.47Å; M117-Y133 HydrophobicContact CB-CE2 4.09Å; M117-Y133 HydrophobicContact SD-CE2 4.42Å; K131-Y133 HydrophobicContact CB-CE2 3.72Å; K131-Y133 WeakPolarHBondContact CD-OH 3.42Å; Y133-F149 HydrophobicContact CD1-CB 3.86Å; Y133-F149 HydrophobicContact CG-CB 4.06Å; Y133-V150 CarbonylContact C-O 3.53Å; Y133-V150 WeakPolarHBondContact CA-O 3.48Å; Y133-P151 HydrophobicContact CD1-CB 4.26Å; Y133-P151 HydrophobicContact CE1-CB 4.16Å
134L86.4Confident76.8Confident13 Ų1386 Ų867%0.06850%0.498CS..EExtended strand (participates in β ladder)trans-96.3121.1166.5-177.767.8000108.4N112 V150 V152N112-L134 HydrophobicContact CB-CD1 4.45Å; L134-V150 PolarHBondContact N-O 3.02Å; L134-V150 PolarHBondContact O-N 3.08Å; L134-V152 HydrophobicContact CB-CG2 3.7Å
135C79.4Confident77.6Confident4 Ų484.7 Ų84.73%0.02749%0.488CS..EExtended strand (participates in β ladder)trans-79.6127.4175.4-165.20000110.4H102 M107 I148 F149H102-C135 VanDerWaalsContact CD2-CB 3.44Å; H102-C135 WeakPolarHBondContact CD2-CB 3.48Å; H102-C135 PolarHBondContact CD2-SG 3.07Å; H102-C135 WeakPolarHBondContact NE2-CB 3.41Å; M107-C135 HydrophobicContact CE-CB 3.66Å; M107-C135 WeakPolarHBondContact CE-O 3.2Å; C135-I148 WeakPolarHBondContact CA-O 3.2Å; C135-F149 HydrophobicContact CB-CD1 3.9Å; C135-F149 HydrophobicContact CB-CE1 3.75Å
136R79.8Confident78.3Confident124 Ų12482.6 Ų82.647%0.46847%0.466SS..EExtended strand (participates in β ladder)trans-117.6133.7170.4-68.9-170.8178.8-149.2-0.8109.6M138 I148 V150R136-M138 PolarHBondContact O-N 2.69Å; R136-I148 HydrophobicContact CB-CG2 4.31Å; R136-I148 PolarHBondContact N-O 3.29Å; R136-I148 PolarHBondContact O-N 2.91Å; R136-V150 HydrophobicContact CG-CG2 4.45Å
137K77.4Confident78.8Confident145 Ų14580.3 Ų80.363%0.6345%0.452SS*.EExtended strand (participates in β ladder)trans-64.3122.7167.5-73.5179.6-177.2-172.60108M107 F147M107-K137 HydrophobicContact SD-CD 4.36Å; M107-K137 WeakPolarHBondContact SD-CE 3.03Å; M107-K137 HydrophobicContact SD-CG 4.19Å; K137-F147 HydrophobicContact CB-CE1 4.47Å; K137-F147 HydrophobicContact CD-CE1 4.05Å; K137-F147 HydrophobicContact CG-CD1 3.79Å; K137-F147 HydrophobicContact CG-CE1 3.31Å; K137-F147 HydrophobicContact CG-CZ 4.11Å
138M77.7Confident79.4Confident132 Ų13275 Ų7565%0.6543%0.431SS*.EExtended strand (participates in β ladder)trans-127.7119.1174.7-170160.5-173.500108.3R136 G146 I148R136-M138 PolarHBondContact O-N 2.69Å; M138-G146 CarbonylContact C-O 3.56Å; M138-G146 PolarHBondContact N-O 3.05Å; M138-G146 CarbonylContact O-C 3.56Å; M138-G146 WeakPolarHBondContact O-CA 3.13Å; M138-G146 PolarHBondContact O-N 3.01Å; M138-I148 HydrophobicContact CB-CG2 4.24Å; M138-I148 HydrophobicContact SD-CG2 4.41Å
139G74.9Confident80Confident45 Ų4573.5 Ų73.546%0.46442%0.423SS..  trans-166.8151.2-178.300000110.5
140I80.4Confident80.3Confident130 Ų13074.4 Ų74.467%0.66743%0.425SS*.  trans-85.2135.6171.8-59164.8000106.7G142 G143I140-G142 PolarHBondContact O-N 3.06Å; I140-G143 PolarHBondContact O-N 3.02Å
141P78.4Confident80.4Confident128 Ų12876.8 Ų76.883%0.83144%0.443SS*.THydrogen-bonded Turntrans-57.5113.7171.422.2-30.8000109.7
142G75.1Confident80.4Confident91 Ų9173.9 Ų73.994%0.93843%0.433SS*.THydrogen-bonded Turntrans95.9-3.4-176.200000116I140I140-G142 PolarHBondContact O-N 3.06Å
143G76.5Confident80.3Confident41 Ų4181.2 Ų81.242%0.42347%0.467SS..SBendtrans-107.6-172.9174.700000113.5I140 Q145I140-G143 PolarHBondContact O-N 3.02Å; G143-Q145 PolarHBondContact O-N 2.67Å
144T72.3Confident80.4Confident138 Ų13881.4 Ų81.485%0.84747%0.472SS*.  trans-61.2116.8173-47.40000109.7
145Q71.7Confident80.7Confident153 Ų15386 Ų8672%0.71549%0.493SS*.  trans-77.6123.1170.3-65.3-175.50.300108.3G143G143-Q145 PolarHBondContact O-N 2.67Å
146G72.4Confident81.2Confident32 Ų3289.5 Ų89.533%0.3351%0.514SS..EExtended strand (participates in β ladder)trans-116.6172.6175.400000111.7M138M138-G146 CarbonylContact C-O 3.56Å; M138-G146 PolarHBondContact N-O 3.05Å; M138-G146 CarbonylContact O-C 3.56Å; M138-G146 WeakPolarHBondContact O-CA 3.13Å; M138-G146 PolarHBondContact O-N 3.01Å
147F76.2Confident81.7Confident54 Ų5487.6 Ų87.624%0.23751%0.51CS..EExtended strand (participates in β ladder)trans-124.3135.1173.8-65.8-88.8000108.4Q103 M107 K137Q103-F147 HydrophobicContact CB-CE2 4.32Å; Q103-F147 HydrophobicContact CB-CZ 4.38Å; Q103-F147 HydrophobicContact CG-CE2 4Å; Q103-F147 HydrophobicContact CG-CZ 3.98Å; Q103-F147 VanDerWaalsContact OE1-CE2 3.29Å; M107-F147 HydrophobicContact CE-CD1 4.21Å; M107-F147 HydrophobicContact CE-CE1 4.19Å; M107-F147 HydrophobicContact CG-CE1 4.45Å; M107-F147 HydrophobicContact SD-CD1 4.23Å; M107-F147 HydrophobicContact SD-CE1 3.62Å; K137-F147 HydrophobicContact CB-CE1 4.47Å; K137-F147 HydrophobicContact CD-CE1 4.05Å; K137-F147 HydrophobicContact CG-CD1 3.79Å; K137-F147 HydrophobicContact CG-CE1 3.31Å; K137-F147 HydrophobicContact CG-CZ 4.11Å
148I81.1Confident82.2Confident82 Ų8283.1 Ų83.142%0.42150%0.497SS..EExtended strand (participates in β ladder)trans-116132.7171.9-169.7167.2000109.1C135 R136 M138 V150C135-I148 WeakPolarHBondContact CA-O 3.2Å; R136-I148 HydrophobicContact CB-CG2 4.31Å; R136-I148 PolarHBondContact N-O 3.29Å; R136-I148 PolarHBondContact O-N 2.91Å; M138-I148 HydrophobicContact CB-CG2 4.24Å; M138-I148 HydrophobicContact SD-CG2 4.41Å; I148-V150 HydrophobicContact CG2-CG2 4.14Å
149F84.5Confident82.8Confident27 Ų2782 Ų8212%0.11849%0.486CS..EExtended strand (participates in β ladder)trans-86.9106.6169.7-75.1-62.5000108.2I94 K99 H102 F115 Y133 C135I94-F149 HydrophobicContact CD1-CD2 4.22Å; I94-F149 HydrophobicContact CG2-CD2 4.1Å; I94-F149 HydrophobicContact CG2-CE2 3.89Å; K99-F149 HydrophobicContact CG-CE2 3.82Å; H102-F149 HydrophobicContact CB-CZ 4.21Å; F115-F149 HydrophobicContact CB-CD1 4.42Å; F115-F149 HydrophobicContact CB-CE1 4Å; F115-F149 HydrophobicContact CD1-CD1 4.34Å; F115-F149 HydrophobicContact CD1-CE1 4.13Å; F115-F149 HydrophobicContact CD1-CZ 4.41Å; F115-F149 HydrophobicContact CG-CE1 4.31Å; Y133-F149 HydrophobicContact CD1-CB 3.86Å; Y133-F149 HydrophobicContact CG-CB 4.06Å; C135-F149 HydrophobicContact CB-CD1 3.9Å; C135-F149 HydrophobicContact CB-CE1 3.75Å
150V86.8Confident83.4Confident55 Ų5582.5 Ų82.533%0.33349%0.492SS..EExtended strand (participates in β ladder)trans-86.5121.7175.9-176.70000107.4Y133 L134 R136 I148Y133-V150 CarbonylContact C-O 3.53Å; Y133-V150 WeakPolarHBondContact CA-O 3.48Å; L134-V150 PolarHBondContact N-O 3.02Å; L134-V150 PolarHBondContact O-N 3.08Å; R136-V150 HydrophobicContact CG-CG2 4.45Å; I148-V150 HydrophobicContact CG2-CG2 4.14Å
151P88.9Confident83.9Confident97 Ų9780.3 Ų80.363%0.6349%0.492SS*.EExtended strand (participates in β ladder)trans-63.7143.8178.427.8-34.3000110.5Y133Y133-P151 HydrophobicContact CD1-CB 4.26Å; Y133-P151 HydrophobicContact CE1-CB 4.16Å
152V88.9Confident84.3Confident26 Ų2676.2 Ų76.216%0.15846%0.462CS..EExtended strand (participates in β ladder)trans-126.4141.9-178.5172.70000109.4S5 V7 A132 L134 V154S5-V152 WeakPolarHBondContact O-CG1 3.35Å; V7-V152 HydrophobicContact CB-CG1 4.46Å; V7-V152 HydrophobicContact CG2-CG1 3.64Å; A132-V152 HydrophobicContact CB-CB 4.27Å; A132-V152 PolarHBondContact O-N 3.08Å; L134-V152 HydrophobicContact CB-CG2 3.7Å; V152-V154 PolarHBondContact O-N 3.14Å
153E89.5Confident84.9Confident154 Ų15478.9 Ų78.972%0.7244%0.444SS*.  trans-65.4129.3174.4-67-177.6169.700110.5V7V7-E153 PolarHBondContact N-O 3.24Å; V7-E153 VanDerWaalsContact N-O 3.07Å
154V90.6Very high85.3Confident39 Ų3980.1 Ų80.124%0.23645%0.445CS..EExtended strand (participates in β ladder)trans-111.3125.2178.3-177.30000108.3V7 V9 I130 A132 V152V7-V154 WeakPolarHBondContact O-CA 3.44Å; V9-V154 HydrophobicContact CB-CG1 4.44Å; V9-V154 HydrophobicContact CG2-CG1 3.77Å; I130-V154 HydrophobicContact CG2-CG1 3.98Å; A132-V154 HydrophobicContact CB-CG2 3.23Å; V152-V154 PolarHBondContact O-N 3.14Å
155E91.4Very high86Confident108 Ų10875.6 Ų75.651%0.50542%0.422SS..EExtended strand (participates in β ladder)trans-117.3139.8171.6-64.1-176.8164.700108.7V7 H8 V9V7-E155 PolarHBondContact O-N 3.4Å; H8-E155 CarbonylContact C-O 3.54Å; H8-E155 VanDerWaalsContact CA-O 3.3Å; H8-E155 WeakPolarHBondContact CA-O 3.22Å; H8-E155 IonicContact CE1-OE2 3.45Å; H8-E155 PolarHBondContact CE1-OE2 3.12Å; H8-E155 IonicContact ND1-OE2 3.29Å; V9-E155 PolarHBondContact N-O 3.08Å
156V90.7Very high86.7Confident78 Ų7870.7 Ų70.747%0.47340%0.403SS..EExtended strand (participates in β ladder)trans-90.7115.2174.1-179.30000107.7V9 L14V9-V156 VanDerWaalsContact O-CA 3.31Å; V9-V156 WeakPolarHBondContact O-CA 3.42Å; L14-V156 HydrophobicContact CD1-CG2 4.17Å
157E89.7Confident87.1Confident84 Ų8473.1 Ų73.139%0.39341%0.406SS..  trans-107137.8176.8-170.9169.8-170.200109.1H8 V9 H10 P11H8-E157 HydrophobicContact CB-CB 4.11Å; H8-E157 IonicContact CD2-OE2 3.8Å; H8-E157 PolarHBondContact CD2-OE2 2.94Å; H8-E157 IonicContact CG-OE2 2.91Å; V9-E157 PolarHBondContact O-N 3.34Å; V9-E157 VanDerWaalsContact O-N 3.13Å; H10-E157 WeakPolarHBondContact CA-O 3.26Å; H10-E157 PolarHBondContact ND1-O 3.1Å; P11-E157 WeakPolarHBondContact CD-O 3.39Å
158C89Confident87.3Confident51 Ų5174 Ų7435%0.34541%0.411SS..  trans-123.7134.9179.6-57.50000108.9P11 E162 R163P11-C158 HydrophobicContact CG-CB 4.44Å; C158-E162 HydrophobicContact CB-CB 4.41Å; C158-R163 HydrophobicContact CB-CB 4.04Å
159Y89.6Confident87.4Confident109 Ų10976 Ų7643%0.42742%0.42SS..  trans-65.7157.9164.3-63.5-53.5000110.4H10 E45 A161 E162 R163H10-Y159 AromaticContact CE1-CD1 3.99Å; H10-Y159 AromaticContact CE1-CD2 3.53Å; H10-Y159 AromaticContact CE1-CE1 3.66Å; H10-Y159 AromaticContact CE1-CE2 3.2Å; H10-Y159 WeakPolarHBondContact CE1-CE2 3.48Å; H10-Y159 AromaticContact CE1-CG 3.92Å; H10-Y159 AromaticContact CE1-CZ 3.26Å; H10-Y159 AromaticContact ND1-CD2 3.74Å; H10-Y159 AromaticContact ND1-CE2 3.65Å; H10-Y159 AromaticContact NE2-CE2 3.9Å; H10-Y159 AromaticContact NE2-CZ 3.67Å; E45-Y159 PolarHBondContact OE1-OH 2.81Å; Y159-A161 VanDerWaalsContact C-N 3.29Å; Y159-A161 PolarHBondContact O-N 3.48Å; Y159-E162 HydrophobicContact CD2-CG 4.35Å; Y159-E162 PolarHBondContact N-OE2 3.36Å; Y159-E162 VanDerWaalsContact N-OE2 3.07Å; Y159-E162 WeakPolarHBondContact O-CB 3.25Å; Y159-E162 PolarHBondContact O-N 3.22Å; Y159-R163 WeakPolarHBondContact O-CB 3.26Å; Y159-R163 PolarHBondContact O-N 3.19Å
160G88.2Confident87.3Confident56 Ų5678.3 Ų78.358%0.57744%0.436SS*.Hα-helixtrans-54.9-42.9-177.600000113.5R163 C164G160-R163 PolarHBondContact O-N 2.97Å; G160-C164 PolarHBondContact O-N 2.92Å; G160-C164 PolarHBondContact O-SG 2.99Å
161A89.8Confident86.8Confident83 Ų8376.4 Ų76.469%0.68643%0.425SS*.Hα-helixtrans-68.8-39.4176.100000112.7Y159 R163 C164 A165Y159-A161 VanDerWaalsContact C-N 3.29Å; Y159-A161 PolarHBondContact O-N 3.48Å; A161-R163 VanDerWaalsContact C-N 3.34Å; A161-C164 PolarHBondContact O-N 3.07Å; A161-A165 PolarHBondContact O-N 3.45Å; A161-A165 VanDerWaalsContact O-N 3.14Å
162E88.4Confident86Confident42 Ų4274.9 Ų74.920%0.19642%0.417CS..Hα-helixtrans-63.5-41.9175.7-67.4-179.7159.100111H10 P11 V12 C158 Y159 C164 A165 V166H10-E162 IonicContact CE1-OE2 3.51Å; H10-E162 IonicContact CG-OE2 2.62Å; H10-E162 IonicContact ND1-OE1 3.01Å; H10-E162 IonicContact ND1-OE2 2.67Å; H10-E162 PolarHBondContact ND1-OE2 3.46Å; P11-E162 HydrophobicContact CG-CB 4.41Å; V12-E162 WeakPolarHBondContact CG2-OE1 3.45Å; C158-E162 HydrophobicContact CB-CB 4.41Å; Y159-E162 HydrophobicContact CD2-CG 4.35Å; Y159-E162 PolarHBondContact N-OE2 3.36Å; Y159-E162 VanDerWaalsContact N-OE2 3.07Å; Y159-E162 WeakPolarHBondContact O-CB 3.25Å; Y159-E162 PolarHBondContact O-N 3.22Å; E162-C164 PolarHBondContact O-N 2.79Å; E162-A165 PolarHBondContact O-N 2.92Å; E162-V166 WeakPolarHBondContact O-CB 3.37Å; E162-V166 VanDerWaalsContact O-CG2 3.25Å; E162-V166 WeakPolarHBondContact O-CG2 3.42Å; E162-V166 PolarHBondContact O-N 2.98Å
163R88Confident85.3Confident147 Ų14779.8 Ų79.856%0.55544%0.441SS*.Hα-helixtrans-58.6-47.4177.2179.7-173.2152.5122.44.8111.1C158 Y159 G160 A161 A165 V166 E167C158-R163 HydrophobicContact CB-CB 4.04Å; Y159-R163 WeakPolarHBondContact O-CB 3.26Å; Y159-R163 PolarHBondContact O-N 3.19Å; G160-R163 PolarHBondContact O-N 2.97Å; A161-R163 VanDerWaalsContact C-N 3.34Å; R163-A165 VanDerWaalsContact C-N 3.32Å; R163-A165 PolarHBondContact O-N 3.44Å; R163-V166 PolarHBondContact O-N 3.4Å; R163-E167 HydrophobicContact CG-CG 4.43Å; R163-E167 IonicContact CZ-OE1 3.93Å; R163-E167 IonicContact NE-OE1 3.51Å; R163-E167 PolarHBondContact NE-OE1 2.96Å; R163-E167 IonicContact NH2-OE1 3.96Å; R163-E167 PolarHBondContact NH2-OE1 3.12Å; R163-E167 WeakPolarHBondContact O-CB 3.3Å; R163-E167 WeakPolarHBondContact O-CG 3.35Å; R163-E167 PolarHBondContact O-N 2.86Å
164C84.4Confident84.1Confident67 Ų6776.8 Ų76.845%0.45343%0.43SS..Hα-helixtrans-59-44.6176.5-680000111.6G160 A161 E162 E167 M168G160-C164 PolarHBondContact O-N 2.92Å; G160-C164 PolarHBondContact O-SG 2.99Å; A161-C164 PolarHBondContact O-N 3.07Å; E162-C164 PolarHBondContact O-N 2.79Å; C164-E167 PolarHBondContact O-N 2.87Å; C164-M168 WeakPolarHBondContact O-CG 3.3Å; C164-M168 PolarHBondContact O-N 3.14Å
165A85.5Confident82.7Confident44 Ų4481.1 Ų81.136%0.36446%0.459SS..Hα-helixtrans-63.7-44.1177.800000112.2A161 E162 R163 M168 M169A161-A165 PolarHBondContact O-N 3.45Å; A161-A165 VanDerWaalsContact O-N 3.14Å; E162-A165 PolarHBondContact O-N 2.92Å; R163-A165 VanDerWaalsContact C-N 3.32Å; R163-A165 PolarHBondContact O-N 3.44Å; A165-M168 PolarHBondContact O-N 2.69Å; A165-M169 VanDerWaalsContact O-CG 3.3Å; A165-M169 WeakPolarHBondContact O-CG 3.42Å; A165-M169 PolarHBondContact O-N 2.88Å
166V86.8Confident81.1Confident50 Ų5087.1 Ų87.130%0.30348%0.477SS..Hα-helixtrans-63.3-43.5177.1171.70000110.8P11 E162 R163 M168 M169 V170P11-V166 HydrophobicContact CB-CG2 3.98Å; P11-V166 HydrophobicContact CG-CG2 4Å; E162-V166 WeakPolarHBondContact O-CB 3.37Å; E162-V166 VanDerWaalsContact O-CG2 3.25Å; E162-V166 WeakPolarHBondContact O-CG2 3.42Å; E162-V166 PolarHBondContact O-N 2.98Å; R163-V166 PolarHBondContact O-N 3.4Å; V166-M168 VanDerWaalsContact C-N 3.33Å; V166-M168 PolarHBondContact O-N 2.95Å; V166-M169 PolarHBondContact O-N 3.27Å; V166-V170 HydrophobicContact CG1-CG2 4.2Å; V166-V170 WeakPolarHBondContact O-CB 3.5Å; V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.39Å; V166-V170 PolarHBondContact O-N 3.17Å
167E82Confident79.4Confident83 Ų8385 Ų8539%0.38847%0.466SS..Hα-helixtrans-60.1-42.4176.7-77.2176.4176.100111.6R163 C164 V170 S171R163-E167 HydrophobicContact CG-CG 4.43Å; R163-E167 IonicContact CZ-OE1 3.93Å; R163-E167 IonicContact NE-OE1 3.51Å; R163-E167 PolarHBondContact NE-OE1 2.96Å; R163-E167 IonicContact NH2-OE1 3.96Å; R163-E167 PolarHBondContact NH2-OE1 3.12Å; R163-E167 WeakPolarHBondContact O-CB 3.3Å; R163-E167 WeakPolarHBondContact O-CG 3.35Å; R163-E167 PolarHBondContact O-N 2.86Å; C164-E167 PolarHBondContact O-N 2.87Å; E167-V170 PolarHBondContact O-N 3.46Å; E167-S171 VanDerWaalsContact O-CB 3.3Å; E167-S171 WeakPolarHBondContact O-CB 3.3Å; E167-S171 PolarHBondContact O-N 3.22Å; E167-S171 PolarHBondContact O-OG 3.39Å
168M79.8Confident77.7Confident73 Ų7389.6 Ų89.636%0.3649%0.485SS..Hα-helixtrans-65.6-38174.5-70.1-179.870.400112.9C164 A165 V166 S171 S172 P181C164-M168 WeakPolarHBondContact O-CG 3.3Å; C164-M168 PolarHBondContact O-N 3.14Å; A165-M168 PolarHBondContact O-N 2.69Å; V166-M168 VanDerWaalsContact C-N 3.33Å; V166-M168 PolarHBondContact O-N 2.95Å; M168-S171 WeakPolarHBondContact CA-OG 3.31Å; M168-S171 PolarHBondContact O-N 3.24Å; M168-S171 PolarHBondContact O-OG 2.96Å; M168-S172 PolarHBondContact O-N 3.09Å; M168-S172 VanDerWaalsContact O-N 3.14Å; M168-P181 HydrophobicContact CE-CB 4.49Å
169M83Confident76Confident122 Ų12289.4 Ų89.460%0.60148%0.48SS*.Hα-helixtrans-66.9-45.7175.8-71.3174.8-175.500111.1A165 V166 S171 S172 I173A165-M169 VanDerWaalsContact O-CG 3.3Å; A165-M169 WeakPolarHBondContact O-CG 3.42Å; A165-M169 PolarHBondContact O-N 2.88Å; V166-M169 PolarHBondContact O-N 3.27Å; M169-S171 VanDerWaalsContact C-N 3.28Å; M169-S171 PolarHBondContact O-N 3.29Å; M169-S172 WeakPolarHBondContact O-CB 3.43Å; M169-S172 PolarHBondContact O-N 3.35Å; M169-S172 VanDerWaalsContact O-N 3.11Å; M169-S172 PolarHBondContact O-OG 3.09Å; M169-I173 WeakPolarHBondContact O-CG1 3.49Å; M169-I173 PolarHBondContact O-N 2.77Å
170V82.6Confident74.4Confident76 Ų7690.9 Ų90.946%0.46149%0.49SS..Hα-helixtrans-59.8-42.4176.3171.40000110.5V166 E167 S172 I173 D174V166-V170 HydrophobicContact CG1-CG2 4.2Å; V166-V170 WeakPolarHBondContact O-CB 3.5Å; V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.39Å; V166-V170 PolarHBondContact O-N 3.17Å; E167-V170 PolarHBondContact O-N 3.46Å; V170-S172 PolarHBondContact O-N 3.33Å; V170-I173 PolarHBondContact O-N 3.18Å; V170-I173 VanDerWaalsContact O-N 3.12Å; V170-D174 PolarHBondContact O-N 2.95Å
171S75.7Confident72.9Confident15 Ų1591.7 Ų91.711%0.10549%0.486CS..Hα-helixtrans-66.3-23.4179.182.10000113.5E167 M168 M169 S177 L179E167-S171 VanDerWaalsContact O-CB 3.3Å; E167-S171 WeakPolarHBondContact O-CB 3.3Å; E167-S171 PolarHBondContact O-N 3.22Å; E167-S171 PolarHBondContact O-OG 3.39Å; M168-S171 WeakPolarHBondContact CA-OG 3.31Å; M168-S171 PolarHBondContact O-N 3.24Å; M168-S171 PolarHBondContact O-OG 2.96Å; M169-S171 VanDerWaalsContact C-N 3.28Å; M169-S171 PolarHBondContact O-N 3.29Å; S171-S177 WeakPolarHBondContact CA-OG 3.45Å; S171-S177 WeakPolarHBondContact CB-OG 3.45Å; S171-S177 WeakPolarHBondContact O-CB 3.39Å; S171-S177 PolarHBondContact O-OG 2.81Å; S171-L179 WeakPolarHBondContact OG-CB 2.91Å
172S73.7Confident71.2Confident65 Ų6594.9 Ų94.946%0.45549%0.486SS..Hα-helixtrans-81.1-25.4173.776.50000113.9M168 M169 V170M168-S172 PolarHBondContact O-N 3.09Å; M168-S172 VanDerWaalsContact O-N 3.14Å; M169-S172 WeakPolarHBondContact O-CB 3.43Å; M169-S172 PolarHBondContact O-N 3.35Å; M169-S172 VanDerWaalsContact O-N 3.11Å; M169-S172 PolarHBondContact O-OG 3.09Å; V170-S172 PolarHBondContact O-N 3.33Å
173I72.9Confident69.8Low130 Ų130101.3 Ų101.367%0.66752%0.521SS*.Hα-helixtrans-79.4-39.3-179.8-66.2165000110.6M169 V170 P175M169-I173 WeakPolarHBondContact O-CG1 3.49Å; M169-I173 PolarHBondContact O-N 2.77Å; V170-I173 PolarHBondContact O-N 3.18Å; V170-I173 VanDerWaalsContact O-N 3.12Å; I173-P175 WeakPolarHBondContact O-CD 3.41Å
174D65.7Low68.5Low91 Ų9197.4 Ų97.449%0.48753%0.527SS..  trans-72.3109.5179.9-92.1-29.5000110.3V170 R176 S177V170-D174 PolarHBondContact O-N 2.95Å; D174-R176 PolarHBondContact O-N 3.34Å; D174-S177 VanDerWaalsContact O-CB 3.31Å; D174-S177 WeakPolarHBondContact O-CB 3.32Å; D174-S177 PolarHBondContact O-N 3.07Å
175P60.2Low67.9Low129 Ų12998.5 Ų98.584%0.83853%0.528SS*.THydrogen-bonded Turntrans-66.2-7.7178.829.4-36.2000112.8I173I173-P175 WeakPolarHBondContact O-CD 3.41Å
176R58.7Low67.7Low234 Ų234102.5 Ų102.588%0.88354%0.543SS*.THydrogen-bonded Turntrans-90.7-19.7174.3-62.5179.3-178.1169.61.8112.7D174 K178D174-R176 PolarHBondContact O-N 3.34Å; R176-K178 PolarHBondContact O-N 2.91Å
177S55.1Low67.4Low35 Ų35105.9 Ų105.925%0.24556%0.557CS.*  trans-80.1113.8178.7173.10000108S171 D174 L179S171-S177 WeakPolarHBondContact CA-OG 3.45Å; S171-S177 WeakPolarHBondContact CB-OG 3.45Å; S171-S177 WeakPolarHBondContact O-CB 3.39Å; S171-S177 PolarHBondContact O-OG 2.81Å; D174-S177 VanDerWaalsContact O-CB 3.31Å; D174-S177 WeakPolarHBondContact O-CB 3.32Å; D174-S177 PolarHBondContact O-N 3.07Å; S177-L179 PolarHBondContact O-N 2.85Å
178K53.4Low67.3Low180 Ų180105.4 Ų105.478%0.78356%0.56SS**  trans-75.25.8178.1-65.8-177.8178.7-179.80113.3R176 E180 Q192R176-K178 PolarHBondContact O-N 2.91Å; K178-E180 PolarHBondContact O-N 3.42Å; K178-Q192 PolarHBondContact O-NE2 3.46Å
179L53.7Low67.3Low46 Ų46106.5 Ų106.524%0.24156%0.561CS.*  trans-77.776.3174.3-74.7142.1000108S171 S177 Y189 Q192S171-L179 WeakPolarHBondContact OG-CB 2.91Å; S177-L179 PolarHBondContact O-N 2.85Å; L179-Y189 HydrophobicContact CD2-CD2 3.81Å; L179-Y189 HydrophobicContact CD2-CE2 3.85Å; L179-Q192 HydrophobicContact CD2-CB 4.07Å; L179-Q192 HydrophobicContact CG-CB 4.38Å; L179-Q192 VanDerWaalsContact CG-OE1 3.3Å
180E55.5Low67.3Low140 Ų140105.2 Ų105.265%0.65456%0.556SS**  trans-59.2127.2161.2-69.8-178.3160.600107K178 E182K178-E180 PolarHBondContact O-N 3.42Å; E180-E182 HydrophobicContact CB-CG 4.2Å; E180-E182 PolarHBondContact O-N 3.41Å
181P55.3Low67.5Low74 Ų74108.5 Ų108.548%0.48156%0.561SS.*  trans-74.557.2176.932.6-35.2000109.3M168 L183M168-P181 HydrophobicContact CE-CB 4.49Å; P181-L183 PolarHBondContact O-N 3.19Å
182E54.8Low67.8Low149 Ų149109.8 Ų109.870%0.69657%0.565SS**  trans-81.7111.3168.3-65.3-155.6155.800107.3E180 G184E180-E182 HydrophobicContact CB-CG 4.2Å; E180-E182 PolarHBondContact O-N 3.41Å; E182-G184 PolarHBondContact O-N 2.84Å
183L58.5Low68.2Low178 Ų178110 Ų11093%0.93256%0.561SS**THydrogen-bonded Turntrans-61.323.5168.7-71.9151.3000112.9P181P181-L183 PolarHBondContact O-N 3.19Å
184G60.8Low69Low65 Ų65106.2 Ų106.267%0.6755%0.546SS*.THydrogen-bonded Turntrans-109.1-26.4-155.500000116.6E182E182-G184 PolarHBondContact O-N 2.84Å
185D72.8Confident70.1Confident89 Ų89105.6 Ų105.648%0.47654%0.54SS..  trans-156.1109.8177-165.9-4.2000112.8M187 V188 Y189D185-M187 PolarHBondContact O-N 3.32Å; D185-M187 VanDerWaalsContact O-N 3.12Å; D185-M187 WeakPolarHBondContact OD1-CB 3.39Å; D185-M187 PolarHBondContact OD1-N 3.32Å; D185-V188 HydrophobicContact CB-CB 4.37Å; D185-V188 HydrophobicContact CB-CG2 3.91Å; D185-V188 PolarHBondContact O-N 3.2Å; D185-V188 VanDerWaalsContact O-N 3.08Å; D185-Y189 PolarHBondContact O-N 3.43Å
186D80.3Confident71.4Confident128 Ų128104.5 Ų104.568%0.68452%0.524SS*.Hα-helixtrans-55-30176.2-66.3-21.7000112Y189 L190D186-Y189 PolarHBondContact O-N 2.82Å; D186-L190 WeakPolarHBondContact O-CB 3.45Å; D186-L190 WeakPolarHBondContact O-CG 3.46Å; D186-L190 PolarHBondContact O-N 2.93Å
187M81.5Confident72.9Confident122 Ų12298.4 Ų98.460%0.60151%0.508SS*.Hα-helixtrans-68.6-38179.7-66.8-63.3119.700112.3D185 L190 Y191D185-M187 PolarHBondContact O-N 3.32Å; D185-M187 VanDerWaalsContact O-N 3.12Å; D185-M187 WeakPolarHBondContact OD1-CB 3.39Å; D185-M187 PolarHBondContact OD1-N 3.32Å; M187-L190 HydrophobicContact CE-CD1 3.93Å; M187-L190 PolarHBondContact O-N 3.44Å; M187-L190 HydrophobicContact SD-CD1 4.45Å; M187-Y191 WeakPolarHBondContact O-CB 3.33Å; M187-Y191 PolarHBondContact O-N 2.9Å
188V80.2Confident74.8Confident73 Ų73101.1 Ų101.144%0.44252%0.519SS..Hα-helixtrans-67.4-42.5177.7177.90000109.8D185 Y191 Q192D185-V188 HydrophobicContact CB-CB 4.37Å; D185-V188 HydrophobicContact CB-CG2 3.91Å; D185-V188 PolarHBondContact O-N 3.2Å; D185-V188 VanDerWaalsContact O-N 3.08Å; V188-Y191 WeakPolarHBondContact O-CB 3.46Å; V188-Y191 PolarHBondContact O-N 2.95Å; V188-Q192 WeakPolarHBondContact O-CG 3.44Å; V188-Q192 PolarHBondContact O-N 2.87Å
189Y78.6Confident76.6Confident95 Ų9596.1 Ų96.137%0.37350%0.504SS..Hα-helixtrans-60.5-46.7174.7179.5-111.2000111.9L179 D185 D186 Y191 Q192 L193L179-Y189 HydrophobicContact CD2-CD2 3.81Å; L179-Y189 HydrophobicContact CD2-CE2 3.85Å; D185-Y189 PolarHBondContact O-N 3.43Å; D186-Y189 PolarHBondContact O-N 2.82Å; Y189-Y191 VanDerWaalsContact C-N 3.31Å; Y189-Y191 PolarHBondContact O-N 2.87Å; Y189-Q192 PolarHBondContact O-N 3.13Å; Y189-L193 HydrophobicContact CD1-CD1 3.81Å; Y189-L193 HydrophobicContact CD1-CG 4.41Å; Y189-L193 HydrophobicContact CE1-CD1 3.31Å; Y189-L193 HydrophobicContact CE1-CG 4.05Å; Y189-L193 HydrophobicContact CE2-CD1 4.36Å; Y189-L193 HydrophobicContact CE2-CD2 4.38Å; Y189-L193 HydrophobicContact CE2-CG 4.22Å; Y189-L193 WeakPolarHBondContact O-CG 3.31Å; Y189-L193 PolarHBondContact O-N 3.05Å
190L84.4Confident78.5Confident95 Ų9598.6 Ų98.650%0.49752%0.516SS..Hα-helixtrans-60.3-40175-74.7176.6000112.5D186 M187 L193 S194D186-L190 WeakPolarHBondContact O-CB 3.45Å; D186-L190 WeakPolarHBondContact O-CG 3.46Å; D186-L190 PolarHBondContact O-N 2.93Å; M187-L190 HydrophobicContact CE-CD1 3.93Å; M187-L190 PolarHBondContact O-N 3.44Å; M187-L190 HydrophobicContact SD-CD1 4.45Å; L190-L193 PolarHBondContact O-N 2.91Å; L190-S194 WeakPolarHBondContact O-CB 3.45Å; L190-S194 PolarHBondContact O-N 3.49Å
191Y85.8Confident80.2Confident146 Ų14696.1 Ų96.157%0.57351%0.506SS*.Hα-helixtrans-61.2-46.3175.3177.1-99.9000111.2M187 V188 Y189 S194 Q195M187-Y191 WeakPolarHBondContact O-CB 3.33Å; M187-Y191 PolarHBondContact O-N 2.9Å; V188-Y191 WeakPolarHBondContact O-CB 3.46Å; V188-Y191 PolarHBondContact O-N 2.95Å; Y189-Y191 VanDerWaalsContact C-N 3.31Å; Y189-Y191 PolarHBondContact O-N 2.87Å; Y191-S194 WeakPolarHBondContact O-CB 3.17Å; Y191-S194 PolarHBondContact O-N 2.93Å; Y191-S194 PolarHBondContact O-OG 3.17Å; Y191-Q195 HydrophobicContact CD1-CG 4.41Å; Y191-Q195 HydrophobicContact CE1-CG 3.99Å; Y191-Q195 HydrophobicContact CE2-CG 4.46Å; Y191-Q195 WeakPolarHBondContact O-CG 3.32Å; Y191-Q195 PolarHBondContact O-N 3.03Å
192Q81.5Confident82.1Confident42 Ų4295.6 Ų95.620%0.19650%0.499CS..Hα-helixtrans-64.5-41.3178.6-69.3173.4-400112.4K178 L179 V188 Y189 S194 Q195 H196K178-Q192 PolarHBondContact O-NE2 3.46Å; L179-Q192 HydrophobicContact CD2-CB 4.07Å; L179-Q192 HydrophobicContact CG-CB 4.38Å; L179-Q192 VanDerWaalsContact CG-OE1 3.3Å; V188-Q192 WeakPolarHBondContact O-CG 3.44Å; V188-Q192 PolarHBondContact O-N 2.87Å; Y189-Q192 PolarHBondContact O-N 3.13Å; Q192-S194 VanDerWaalsContact C-N 3.31Å; Q192-S194 PolarHBondContact O-N 3.47Å; Q192-Q195 PolarHBondContact O-N 3.35Å; Q192-H196 PolarHBondContact O-N 2.92Å
193L83.4Confident83.9Confident69 Ų6994.5 Ų94.536%0.36149%0.494SS..Hα-helixtrans-59.8-41.3172.3-73.7177.9000112Y189 L190 Q195 H196 L197Y189-L193 HydrophobicContact CD1-CD1 3.81Å; Y189-L193 HydrophobicContact CD1-CG 4.41Å; Y189-L193 HydrophobicContact CE1-CD1 3.31Å; Y189-L193 HydrophobicContact CE1-CG 4.05Å; Y189-L193 HydrophobicContact CE2-CD1 4.36Å; Y189-L193 HydrophobicContact CE2-CD2 4.38Å; Y189-L193 HydrophobicContact CE2-CG 4.22Å; Y189-L193 WeakPolarHBondContact O-CG 3.31Å; Y189-L193 PolarHBondContact O-N 3.05Å; L190-L193 PolarHBondContact O-N 2.91Å; L193-Q195 VanDerWaalsContact C-N 3.33Å; L193-Q195 PolarHBondContact O-N 2.98Å; L193-H196 WeakPolarHBondContact O-CB 3.49Å; L193-H196 PolarHBondContact O-N 3.18Å; L193-L197 PolarHBondContact O-N 3.07Å
194S89Confident85.5Confident50 Ų5088.9 Ų88.935%0.3547%0.467SS..Hα-helixtrans-63-40177.380.80000111.9L190 Y191 Q192 L197 L198L190-S194 WeakPolarHBondContact O-CB 3.45Å; L190-S194 PolarHBondContact O-N 3.49Å; Y191-S194 WeakPolarHBondContact O-CB 3.17Å; Y191-S194 PolarHBondContact O-N 2.93Å; Y191-S194 PolarHBondContact O-OG 3.17Å; Q192-S194 VanDerWaalsContact C-N 3.31Å; Q192-S194 PolarHBondContact O-N 3.47Å; S194-L197 PolarHBondContact O-N 3.07Å; S194-L198 WeakPolarHBondContact O-CG 3.38Å; S194-L198 PolarHBondContact O-N 3.19Å
195Q88.5Confident87Confident79 Ų7989.4 Ų89.437%0.36945%0.454SS..Hα-helixtrans-66.6-37.9175.9-68.5-64.1-36.800112.1Y191 Q192 L193 L198 T199Y191-Q195 HydrophobicContact CD1-CG 4.41Å; Y191-Q195 HydrophobicContact CE1-CG 3.99Å; Y191-Q195 HydrophobicContact CE2-CG 4.46Å; Y191-Q195 WeakPolarHBondContact O-CG 3.32Å; Y191-Q195 PolarHBondContact O-N 3.03Å; Q192-Q195 PolarHBondContact O-N 3.35Å; L193-Q195 VanDerWaalsContact C-N 3.33Å; L193-Q195 PolarHBondContact O-N 2.98Å; Q195-L198 PolarHBondContact O-N 2.82Å; Q195-T199 PolarHBondContact O-N 2.76Å; Q195-T199 PolarHBondContact O-OG1 2.97Å
196H86.9Confident87.9Confident106 Ų10692 Ų9249%0.49146%0.457SS..Hα-helixtrans-64.1-45.2174.5-17362.8000111.7Q192 L193 L198 T199 M200Q192-H196 PolarHBondContact O-N 2.92Å; L193-H196 WeakPolarHBondContact O-CB 3.49Å; L193-H196 PolarHBondContact O-N 3.18Å; H196-L198 PolarHBondContact O-N 2.96Å; H196-T199 WeakPolarHBondContact O-CB 3.36Å; H196-T199 PolarHBondContact O-N 3.2Å; H196-M200 WeakPolarHBondContact NE2-CE 3.41Å; H196-M200 PolarHBondContact O-N 3.36Å
197L91.2Very high88.4Confident105 Ų10589 Ų8955%0.5544%0.437SS..Hα-helixtrans-59.5-45.9175-171.3164.1000111.2L193 S194 T199 M200 L201L193-L197 PolarHBondContact O-N 3.07Å; S194-L197 PolarHBondContact O-N 3.07Å; L197-T199 VanDerWaalsContact C-N 3.28Å; L197-T199 PolarHBondContact O-N 2.88Å; L197-M200 PolarHBondContact O-N 3.07Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 3.16Å
198L94Very high88.8Confident93 Ų9386 Ų8649%0.48743%0.425SS..Hα-helixtrans-59-40.2176-73.5171.3000112.1S194 Q195 H196 L201 D202S194-L198 WeakPolarHBondContact O-CG 3.38Å; S194-L198 PolarHBondContact O-N 3.19Å; Q195-L198 PolarHBondContact O-N 2.82Å; H196-L198 PolarHBondContact O-N 2.96Å; L198-L201 PolarHBondContact O-N 3.09Å; L198-D202 WeakPolarHBondContact O-CB 3.36Å; L198-D202 PolarHBondContact O-N 2.95Å
199T93.2Very high89.3Confident75 Ų7587.7 Ų87.746%0.4643%0.428SS..Hα-helixtrans-65.3-42.7176.7-55.60000111.7Q195 H196 L197 L201 D202 Q203Q195-T199 PolarHBondContact O-N 2.76Å; Q195-T199 PolarHBondContact O-OG1 2.97Å; H196-T199 WeakPolarHBondContact O-CB 3.36Å; H196-T199 PolarHBondContact O-N 3.2Å; L197-T199 VanDerWaalsContact C-N 3.28Å; L197-T199 PolarHBondContact O-N 2.88Å; T199-L201 VanDerWaalsContact C-N 3.33Å; T199-D202 PolarHBondContact O-N 3.15Å; T199-Q203 WeakPolarHBondContact O-CG 3.42Å; T199-Q203 PolarHBondContact O-N 3.37Å; T199-Q203 VanDerWaalsContact O-N 3.08Å
200M91.5Very high89.9Confident98 Ų9886 Ų8648%0.48343%0.425SS..Hα-helixtrans-62.5-41.6174.2-72.9-179.7162.300111.6H196 L197 Q203 V204H196-M200 WeakPolarHBondContact NE2-CE 3.41Å; H196-M200 PolarHBondContact O-N 3.36Å; L197-M200 PolarHBondContact O-N 3.07Å; M200-Q203 WeakPolarHBondContact O-CB 3.42Å; M200-Q203 PolarHBondContact O-N 3.45Å; M200-V204 WeakPolarHBondContact O-CG2 3.37Å; M200-V204 PolarHBondContact O-N 3Å; M200-V204 VanDerWaalsContact O-N 3.09Å
201L92.9Very high90.2Very high88 Ų8883.1 Ų83.146%0.46141%0.411SS..Hα-helixtrans-66.4-39.7178.7-171.5138.2000111.6L197 L198 T199 Q203 V204 I205L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 3.16Å; L198-L201 PolarHBondContact O-N 3.09Å; T199-L201 VanDerWaalsContact C-N 3.33Å; L201-Q203 VanDerWaalsContact C-N 3.34Å; L201-Q203 PolarHBondContact O-N 3.18Å; L201-V204 PolarHBondContact O-N 2.99Å; L201-I205 HydrophobicContact CD2-CD1 3.5Å; L201-I205 VanDerWaalsContact CD2-CD1 3.5Å; L201-I205 HydrophobicContact CD2-CG1 4.25Å; L201-I205 HydrophobicContact CG-CD1 4.49Å; L201-I205 WeakPolarHBondContact O-CG1 3.34Å; L201-I205 PolarHBondContact O-N 3.33Å
202D94.9Very high90.4Very high62 Ų6281.9 Ų81.933%0.33241%0.414SS..Hα-helixtrans-60.5-41.2172.3-176.536.3000111.7L198 T199 V204 I205 R206L198-D202 WeakPolarHBondContact O-CB 3.36Å; L198-D202 PolarHBondContact O-N 2.95Å; T199-D202 PolarHBondContact O-N 3.15Å; D202-V204 VanDerWaalsContact C-N 3.32Å; D202-V204 PolarHBondContact O-N 3.21Å; D202-I205 PolarHBondContact O-N 3.48Å; D202-R206 WeakPolarHBondContact O-CB 3.1Å; D202-R206 VanDerWaalsContact O-CG 3.28Å; D202-R206 WeakPolarHBondContact O-CG 3.25Å; D202-R206 PolarHBondContact O-N 3.49Å; D202-R206 IonicContact OD1-NE 3.08Å; D202-R206 PolarHBondContact OD1-NE 3.12Å; D202-R206 IonicContact OD1-NH2 3.17Å; D202-R206 IonicContact OD2-CZ 2.69Å; D202-R206 IonicContact OD2-NE 2.77Å; D202-R206 PolarHBondContact OD2-NE 3.23Å; D202-R206 VanDerWaalsContact OD2-NE 3.08Å; D202-R206 IonicContact OD2-NH2 2.88Å; D202-R206 PolarHBondContact OD2-NH2 2.92Å
203Q92.6Very high90.8Very high127 Ų12784.4 Ų84.459%0.59343%0.428SS*.Hα-helixtrans-60.7-40.4173.9-70.2175.5-3.700112.5T199 M200 L201 Y207T199-Q203 WeakPolarHBondContact O-CG 3.42Å; T199-Q203 PolarHBondContact O-N 3.37Å; T199-Q203 VanDerWaalsContact O-N 3.08Å; M200-Q203 WeakPolarHBondContact O-CB 3.42Å; M200-Q203 PolarHBondContact O-N 3.45Å; L201-Q203 VanDerWaalsContact C-N 3.34Å; L201-Q203 PolarHBondContact O-N 3.18Å; Q203-Y207 WeakPolarHBondContact O-CB 3.21Å; Q203-Y207 PolarHBondContact O-N 2.63Å
204V91.7Very high90.9Very high60 Ų6088.1 Ų88.136%0.36445%0.449SS..Hα-helixtrans-66.6-43.9176.4175.40000110.9M200 L201 D202 Y207 V208 I226M200-V204 WeakPolarHBondContact O-CG2 3.37Å; M200-V204 PolarHBondContact O-N 3Å; M200-V204 VanDerWaalsContact O-N 3.09Å; L201-V204 PolarHBondContact O-N 2.99Å; D202-V204 VanDerWaalsContact C-N 3.32Å; D202-V204 PolarHBondContact O-N 3.21Å; V204-Y207 WeakPolarHBondContact O-CB 3.24Å; V204-Y207 PolarHBondContact O-N 3.39Å; V204-V208 WeakPolarHBondContact O-CG2 3.36Å; V204-V208 PolarHBondContact O-N 3.11Å; V204-I226 HydrophobicContact CG1-CD1 3.92Å; V204-I226 HydrophobicContact CG1-CG1 4.18Å
205I92Very high90.6Very high76 Ų7692.3 Ų92.339%0.3946%0.46SS..Hα-helixtrans-59.6-49.8176.7-69.2172.5000110.3L201 D202 Y207 V208 E209L201-I205 HydrophobicContact CD2-CD1 3.5Å; L201-I205 VanDerWaalsContact CD2-CD1 3.5Å; L201-I205 HydrophobicContact CD2-CG1 4.25Å; L201-I205 HydrophobicContact CG-CD1 4.49Å; L201-I205 WeakPolarHBondContact O-CG1 3.34Å; L201-I205 PolarHBondContact O-N 3.33Å; D202-I205 PolarHBondContact O-N 3.48Å; I205-Y207 VanDerWaalsContact C-N 3.26Å; I205-Y207 PolarHBondContact O-N 3.14Å; I205-V208 PolarHBondContact O-N 2.93Å; I205-E209 HydrophobicContact CG2-CG 4.33Å; I205-E209 WeakPolarHBondContact O-CG 3.4Å; I205-E209 PolarHBondContact O-N 2.82Å
206R92.5Very high90.2Very high143 Ų14391 Ų9154%0.5446%0.46SS..Hα-helixtrans-58.5-37.9177.1-70175.9-168-162.34.6112.5D202 N210D202-R206 WeakPolarHBondContact O-CB 3.1Å; D202-R206 VanDerWaalsContact O-CG 3.28Å; D202-R206 WeakPolarHBondContact O-CG 3.25Å; D202-R206 PolarHBondContact O-N 3.49Å; D202-R206 IonicContact OD1-NE 3.08Å; D202-R206 PolarHBondContact OD1-NE 3.12Å; D202-R206 IonicContact OD1-NH2 3.17Å; D202-R206 IonicContact OD2-CZ 2.69Å; D202-R206 IonicContact OD2-NE 2.77Å; D202-R206 PolarHBondContact OD2-NE 3.23Å; D202-R206 VanDerWaalsContact OD2-NE 3.08Å; D202-R206 IonicContact OD2-NH2 2.88Å; D202-R206 PolarHBondContact OD2-NH2 2.92Å; R206-N210 WeakPolarHBondContact O-CB 3.39Å; R206-N210 VanDerWaalsContact O-CG 3.25Å; R206-N210 PolarHBondContact O-N 3.5Å; R206-N210 PolarHBondContact O-ND2 3.08Å
207Y90Very high89.9Confident66 Ų6691.6 Ų91.626%0.25947%0.473SS..Hα-helixtrans-63.2-46.3174.6177.5-99.7000111.3Q203 V204 I205 N210 V211 I222Q203-Y207 WeakPolarHBondContact O-CB 3.21Å; Q203-Y207 PolarHBondContact O-N 2.63Å; V204-Y207 WeakPolarHBondContact O-CB 3.24Å; V204-Y207 PolarHBondContact O-N 3.39Å; I205-Y207 VanDerWaalsContact C-N 3.26Å; I205-Y207 PolarHBondContact O-N 3.14Å; Y207-N210 PolarHBondContact O-N 3.27Å; Y207-V211 HydrophobicContact CD1-CG2 4.38Å; Y207-V211 HydrophobicContact CE1-CG2 3.93Å; Y207-V211 HydrophobicContact CE2-CG2 4.22Å; Y207-V211 WeakPolarHBondContact O-CG2 3.39Å; Y207-V211 PolarHBondContact O-N 2.87Å; Y207-I222 HydrophobicContact CD1-CG2 4.12Å; Y207-I222 HydrophobicContact CE1-CB 4.25Å; Y207-I222 HydrophobicContact CE1-CD1 4.31Å; Y207-I222 HydrophobicContact CE1-CG2 3.59Å; Y207-I222 HydrophobicContact CE2-CD1 4.47Å
208V89.7Confident89.4Confident57 Ų5790.1 Ų90.135%0.34548%0.476SS..Hα-helixtrans-63-43.7178.61740000111.3V204 I205 N210 V211 I212 I226V204-V208 WeakPolarHBondContact O-CG2 3.36Å; V204-V208 PolarHBondContact O-N 3.11Å; I205-V208 PolarHBondContact O-N 2.93Å; V208-N210 PolarHBondContact O-N 3.42Å; V208-V211 PolarHBondContact O-N 2.9Å; V208-I212 HydrophobicContact CG1-CD1 3.89Å; V208-I212 HydrophobicContact CG1-CG1 4.5Å; V208-I212 WeakPolarHBondContact O-CG1 3.45Å; V208-I212 PolarHBondContact O-N 2.86Å; V208-I226 HydrophobicContact CG2-CD1 4.09Å
209E91.9Very high89.1Confident110 Ų11088.8 Ų88.851%0.51447%0.469SS..Hα-helixtrans-59.8-44.6175.1-71.117716700112I205 V211 I212 D213I205-E209 HydrophobicContact CG2-CG 4.33Å; I205-E209 WeakPolarHBondContact O-CG 3.4Å; I205-E209 PolarHBondContact O-N 2.82Å; E209-V211 VanDerWaalsContact C-N 3.27Å; E209-V211 PolarHBondContact O-N 3.25Å; E209-I212 PolarHBondContact O-N 2.84Å; E209-D213 WeakPolarHBondContact O-CB 3.48Å; E209-D213 PolarHBondContact O-N 3.02Å
210N90.8Very high88.9Confident58 Ų5889.3 Ų89.331%0.3147%0.474SS..Hα-helixtrans-64.2-30.9177.2-76.3-37.2000113.4R206 Y207 V208 K215 C216R206-N210 WeakPolarHBondContact O-CB 3.39Å; R206-N210 VanDerWaalsContact O-CG 3.25Å; R206-N210 PolarHBondContact O-N 3.5Å; R206-N210 PolarHBondContact O-ND2 3.08Å; Y207-N210 PolarHBondContact O-N 3.27Å; V208-N210 PolarHBondContact O-N 3.42Å; N210-K215 PolarHBondContact O-N 2.76Å; N210-C216 PolarHBondContact O-N 2.85Å
211V90.6Very high88.9Confident35 Ų3591.9 Ų91.921%0.21248%0.482CS..Hα-helixtrans-73.7-40.5174.41730000110.7Y207 V208 E209 D213 N214 C216 A218Y207-V211 HydrophobicContact CD1-CG2 4.38Å; Y207-V211 HydrophobicContact CE1-CG2 3.93Å; Y207-V211 HydrophobicContact CE2-CG2 4.22Å; Y207-V211 WeakPolarHBondContact O-CG2 3.39Å; Y207-V211 PolarHBondContact O-N 2.87Å; V208-V211 PolarHBondContact O-N 2.9Å; E209-V211 VanDerWaalsContact C-N 3.27Å; E209-V211 PolarHBondContact O-N 3.25Å; V211-D213 VanDerWaalsContact C-N 3.35Å; V211-N214 PolarHBondContact O-N 3.18Å; V211-N214 VanDerWaalsContact O-N 3.15Å; V211-C216 HydrophobicContact CG2-CB 4.4Å; V211-A218 HydrophobicContact CG1-CB 3.77Å
212I89.8Confident88.7Confident121 Ų12190.9 Ų90.962%0.62148%0.476SS*.Hα-helixtrans-63.5-40.9175.5-67.1166.9000111V208 E209 N214V208-I212 HydrophobicContact CG1-CD1 3.89Å; V208-I212 HydrophobicContact CG1-CG1 4.5Å; V208-I212 WeakPolarHBondContact O-CG1 3.45Å; V208-I212 PolarHBondContact O-N 2.86Å; E209-I212 PolarHBondContact O-N 2.84Å; I212-N214 PolarHBondContact O-N 2.75Å; I212-N214 VanDerWaalsContact O-N 3.14Å
213D90.7Very high88.4Confident94 Ų9489.9 Ų89.950%0.50348%0.481SS..THydrogen-bonded Turntrans-70.70.5175.9-81.9-2.8000114.1E209 V211 K215E209-D213 WeakPolarHBondContact O-CB 3.48Å; E209-D213 PolarHBondContact O-N 3.02Å; V211-D213 VanDerWaalsContact C-N 3.35Å; D213-K215 HydrophobicContact CB-CD 4.07Å; D213-K215 HydrophobicContact CB-CG 4.07Å; D213-K215 PolarHBondContact O-N 3.08Å; D213-K215 IonicContact OD2-NZ 3.01Å; D213-K215 PolarHBondContact OD2-NZ 3.47Å
214N84Confident88.4Confident148 Ų14892 Ų9279%0.79148%0.483SS*.THydrogen-bonded Turntrans5822.9-174.5-58.7-70.3000114.6V211 I212V211-N214 PolarHBondContact O-N 3.18Å; V211-N214 VanDerWaalsContact O-N 3.15Å; I212-N214 PolarHBondContact O-N 2.75Å; I212-N214 VanDerWaalsContact O-N 3.14Å
215K84.1Confident88.3Confident137 Ų13792.5 Ų92.560%0.59649%0.49SS*.SBendtrans-79.2-29.4176.9-68.5170.7-177.7146.30112.2N210 D213N210-K215 PolarHBondContact O-N 2.76Å; D213-K215 HydrophobicContact CB-CD 4.07Å; D213-K215 HydrophobicContact CB-CG 4.07Å; D213-K215 PolarHBondContact O-N 3.08Å; D213-K215 IonicContact OD2-NZ 3.01Å; D213-K215 PolarHBondContact OD2-NZ 3.47Å
216C78.6Confident88.2Confident52 Ų5290.6 Ų90.635%0.35148%0.48SS..SBendtrans-124.6143.4179.6-65.20000111.5N210 V211 A218N210-C216 PolarHBondContact O-N 2.85Å; V211-C216 HydrophobicContact CG2-CB 4.4Å; C216-A218 PolarHBondContact O-N 3.11Å
217P81.4Confident88.2Confident119 Ų11985.5 Ų85.577%0.77347%0.469SS*.  trans-65.5133.5173.528-33.3000110.1D219P217-D219 PolarHBondContact O-N 3.34Å
218A80.4Confident88.3Confident73 Ų7388.9 Ų88.960%0.60349%0.487SS*.  trans-68114.7176.500000110.3V211 C216 P220V211-A218 HydrophobicContact CG1-CB 3.77Å; C216-A218 PolarHBondContact O-N 3.11Å; A218-P220 WeakPolarHBondContact O-CD 3.49Å
219D88.1Confident88.4Confident65 Ų6591.5 Ų91.535%0.34850%0.498SS..  trans-84.4115.5169.4-172.3-15.1000109.5P217 K221 I222 G223P217-D219 PolarHBondContact O-N 3.34Å; D219-K221 PolarHBondContact O-N 2.91Å; D219-K221 WeakPolarHBondContact OD1-CB 2.97Å; D219-K221 PolarHBondContact OD1-N 3.48Å; D219-I222 HydrophobicContact CB-CB 4.39Å; D219-I222 HydrophobicContact CB-CD1 4.04Å; D219-I222 HydrophobicContact CB-CG1 4.12Å; D219-I222 PolarHBondContact O-N 2.91Å; D219-G223 PolarHBondContact O-N 3.11Å; D219-G223 VanDerWaalsContact O-N 3.13Å
220P88.6Confident88.2Confident86 Ų8691.3 Ų91.356%0.55850%0.499SS*.Hα-helixtrans-62.8-23.2179.126.6-35.7000113.3A218 R224A218-P220 WeakPolarHBondContact O-CD 3.49Å; P220-R224 VanDerWaalsContact O-CG 3.31Å; P220-R224 WeakPolarHBondContact O-CG 3.13Å; P220-R224 PolarHBondContact O-N 2.74Å; P220-R224 VanDerWaalsContact O-N 3.1Å
221K91.2Very high88.2Confident153 Ų15396.4 Ų96.467%0.66552%0.519SS*.Hα-helixtrans-67.5-47.9176.1-66.9-178.6-179.6178.30110.9D219 R224 S225D219-K221 PolarHBondContact O-N 2.91Å; D219-K221 WeakPolarHBondContact OD1-CB 2.97Å; D219-K221 PolarHBondContact OD1-N 3.48Å; K221-R224 PolarHBondContact O-N 3.08Å; K221-S225 PolarHBondContact O-N 2.95Å; K221-S225 PolarHBondContact O-OG 3.46Å
222I89.1Confident88.2Confident66 Ų6698.7 Ų98.734%0.33854%0.537SS..Hα-helixtrans-64-44178.7-60.7176.3000110Y207 D219 R224 S225 I226Y207-I222 HydrophobicContact CD1-CG2 4.12Å; Y207-I222 HydrophobicContact CE1-CB 4.25Å; Y207-I222 HydrophobicContact CE1-CD1 4.31Å; Y207-I222 HydrophobicContact CE1-CG2 3.59Å; Y207-I222 HydrophobicContact CE2-CD1 4.47Å; D219-I222 HydrophobicContact CB-CB 4.39Å; D219-I222 HydrophobicContact CB-CD1 4.04Å; D219-I222 HydrophobicContact CB-CG1 4.12Å; D219-I222 PolarHBondContact O-N 2.91Å; I222-R224 VanDerWaalsContact C-N 3.3Å; I222-R224 PolarHBondContact O-N 3.26Å; I222-S225 PolarHBondContact O-N 3.22Å; I222-S225 VanDerWaalsContact O-N 3.15Å; I222-I226 HydrophobicContact CG2-CD1 3.76Å; I222-I226 HydrophobicContact CG2-CG1 4.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.44Å; I222-I226 PolarHBondContact O-N 3.43Å
223G88.8Confident88Confident41 Ų4198.4 Ų98.442%0.42354%0.535SS..Hα-helixtrans-57.7-40.2176.400000113.2D219 A227D219-G223 PolarHBondContact O-N 3.11Å; D219-G223 VanDerWaalsContact O-N 3.13Å; G223-A227 WeakPolarHBondContact O-CB 3.42Å; G223-A227 PolarHBondContact O-N 3.25Å
224R91.8Very high87.6Confident171 Ų17198.3 Ų98.365%0.64554%0.54SS*.Hα-helixtrans-67-43.1174.7-74.9175.3-172.3155.13.2112.4P220 K221 I222 I226 A227 Q228P220-R224 VanDerWaalsContact O-CG 3.31Å; P220-R224 WeakPolarHBondContact O-CG 3.13Å; P220-R224 PolarHBondContact O-N 2.74Å; P220-R224 VanDerWaalsContact O-N 3.1Å; K221-R224 PolarHBondContact O-N 3.08Å; I222-R224 VanDerWaalsContact C-N 3.3Å; I222-R224 PolarHBondContact O-N 3.26Å; R224-I226 VanDerWaalsContact C-N 3.34Å; R224-I226 PolarHBondContact O-N 2.92Å; R224-A227 PolarHBondContact O-N 2.86Å; R224-Q228 WeakPolarHBondContact O-CB 3.1Å; R224-Q228 WeakPolarHBondContact O-CG 3.44Å; R224-Q228 PolarHBondContact O-N 2.89Å
225S91.1Very high87.4Confident72 Ų72101.2 Ų101.250%0.50355%0.545SS..Hα-helixtrans-62.3-41.3177.4-59.80000111.9K221 I222 Q228 L229K221-S225 PolarHBondContact O-N 2.95Å; K221-S225 PolarHBondContact O-OG 3.46Å; I222-S225 PolarHBondContact O-N 3.22Å; I222-S225 VanDerWaalsContact O-N 3.15Å; S225-Q228 PolarHBondContact O-N 3.38Å; S225-L229 PolarHBondContact O-N 2.93Å
226I90.1Very high87.2Confident36 Ų3698.5 Ų98.519%0.18554%0.537CS..Hα-helixtrans-65.4-44175.5-65.3169.1000110.6V204 V208 I222 R224 Q228 L229 I230V204-I226 HydrophobicContact CG1-CD1 3.92Å; V204-I226 HydrophobicContact CG1-CG1 4.18Å; V208-I226 HydrophobicContact CG2-CD1 4.09Å; I222-I226 HydrophobicContact CG2-CD1 3.76Å; I222-I226 HydrophobicContact CG2-CG1 4.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.44Å; I222-I226 PolarHBondContact O-N 3.43Å; R224-I226 VanDerWaalsContact C-N 3.34Å; R224-I226 PolarHBondContact O-N 2.92Å; I226-Q228 VanDerWaalsContact C-N 3.34Å; I226-Q228 PolarHBondContact O-N 3.41Å; I226-L229 WeakPolarHBondContact O-CB 3.36Å; I226-L229 PolarHBondContact O-N 2.82Å; I226-I230 HydrophobicContact CG2-CD1 3.96Å; I226-I230 WeakPolarHBondContact O-CG1 3.46Å; I226-I230 PolarHBondContact O-N 2.92Å
227A90.7Very high87.6Confident36 Ų36102 Ų10230%0.29855%0.552SS.*Hα-helixtrans-60.3-45176.300000111.4G223 R224 L229 I230 F231G223-A227 WeakPolarHBondContact O-CB 3.42Å; G223-A227 PolarHBondContact O-N 3.25Å; R224-A227 PolarHBondContact O-N 2.86Å; A227-L229 VanDerWaalsContact C-N 3.31Å; A227-L229 PolarHBondContact O-N 2.97Å; A227-I230 PolarHBondContact O-N 3.49Å; A227-F231 HydrophobicContact CB-CD2 4.22Å; A227-F231 HydrophobicContact CB-CE2 4.07Å; A227-F231 WeakPolarHBondContact O-CB 3.34Å; A227-F231 WeakPolarHBondContact O-CD2 3.48Å; A227-F231 WeakPolarHBondContact O-CG 3.48Å; A227-F231 PolarHBondContact O-N 2.97Å
228Q93.5Very high88Confident137 Ų137100.9 Ų100.964%0.6455%0.545SS*.Hα-helixtrans-58.9-41.4174.9-75.7176.6-11.800112.1R224 S225 I226 F231 S232R224-Q228 WeakPolarHBondContact O-CB 3.1Å; R224-Q228 WeakPolarHBondContact O-CG 3.44Å; R224-Q228 PolarHBondContact O-N 2.89Å; S225-Q228 PolarHBondContact O-N 3.38Å; I226-Q228 VanDerWaalsContact C-N 3.34Å; I226-Q228 PolarHBondContact O-N 3.41Å; Q228-F231 PolarHBondContact O-N 2.91Å; Q228-S232 WeakPolarHBondContact O-CB 3.34Å; Q228-S232 PolarHBondContact O-N 2.95Å
229L90.4Very high88.4Confident111 Ų111102.8 Ų102.858%0.58155%0.545SS*.Hα-helixtrans-60-47.6174.9-178.667.1000111.4S225 I226 A227 F231 S232S225-L229 PolarHBondContact O-N 2.93Å; I226-L229 WeakPolarHBondContact O-CB 3.36Å; I226-L229 PolarHBondContact O-N 2.82Å; A227-L229 VanDerWaalsContact C-N 3.31Å; A227-L229 PolarHBondContact O-N 2.97Å; L229-F231 PolarHBondContact O-N 2.78Å; L229-S232 PolarHBondContact O-N 3.49Å; L229-S232 PolarHBondContact O-OG 3.02Å
230I89.1Confident88.4Confident106 Ų106104.1 Ų104.154%0.54455%0.549SS..Hα-helixtrans-65.6-41.1179.9-64.9168.1000111.1I226 A227 S232 I233I226-I230 HydrophobicContact CG2-CD1 3.96Å; I226-I230 WeakPolarHBondContact O-CG1 3.46Å; I226-I230 PolarHBondContact O-N 2.92Å; A227-I230 PolarHBondContact O-N 3.49Å; I230-S232 VanDerWaalsContact C-N 3.28Å; I230-S232 PolarHBondContact O-N 3.06Å; I230-I233 PolarHBondContact O-N 2.94Å
231F89.8Confident88.4Confident166 Ų166103.8 Ų103.873%0.72854%0.542SS*.Hα-helixtrans-74.6-16.3179-69.4-56.2000113.9A227 Q228 L229 I233A227-F231 HydrophobicContact CB-CD2 4.22Å; A227-F231 HydrophobicContact CB-CE2 4.07Å; A227-F231 WeakPolarHBondContact O-CB 3.34Å; A227-F231 WeakPolarHBondContact O-CD2 3.48Å; A227-F231 WeakPolarHBondContact O-CG 3.48Å; A227-F231 PolarHBondContact O-N 2.97Å; Q228-F231 PolarHBondContact O-N 2.91Å; L229-F231 PolarHBondContact O-N 2.78Å; F231-I233 PolarHBondContact O-N 2.88Å
232S91.1Very high88.4Confident82 Ų82102.1 Ų102.157%0.57354%0.537SS*.Hα-helixtrans-71.5-19.117474.30000113.1Q228 L229 I230 P234Q228-S232 WeakPolarHBondContact O-CB 3.34Å; Q228-S232 PolarHBondContact O-N 2.95Å; L229-S232 PolarHBondContact O-N 3.49Å; L229-S232 PolarHBondContact O-OG 3.02Å; I230-S232 VanDerWaalsContact C-N 3.28Å; I230-S232 PolarHBondContact O-N 3.06Å; S232-P234 WeakPolarHBondContact O-CD 3.41Å
233I85Confident88.5Confident116 Ų116105.4 Ų105.460%0.59555%0.55SS**SBendtrans-81115.1179.4-57.2171.3000108.9I230 F231 K235I230-I233 PolarHBondContact O-N 2.94Å; F231-I233 PolarHBondContact O-N 2.88Å; I233-K235 PolarHBondContact O-N 2.82Å
234P83.5Confident88.6Confident92 Ų92107.6 Ų107.660%0.59755%0.552SS**  trans-65.7133.5178.126.4-32.5000110.3S232 L236S232-P234 WeakPolarHBondContact O-CD 3.41Å; P234-L236 HydrophobicContact CB-CD1 4.18Å; P234-L236 HydrophobicContact CG-CD1 3.85Å; P234-L236 PolarHBondContact O-N 3.32Å; P234-L236 VanDerWaalsContact O-N 3.16Å
235K79.4Confident88.6Confident208 Ų208104.2 Ų104.290%0.90455%0.546SS*.  trans-77.398.8170.5-63.3-177.3-178.4-1780108.1I233I233-K235 PolarHBondContact O-N 2.82Å
236L79.4Confident88.7Confident81 Ų81104 Ų10442%0.42454%0.539SS..  trans-96.5141.5173.8-75.6131000109.9P234 L241 L244P234-L236 HydrophobicContact CB-CD1 4.18Å; P234-L236 HydrophobicContact CG-CD1 3.85Å; P234-L236 PolarHBondContact O-N 3.32Å; P234-L236 VanDerWaalsContact O-N 3.16Å; L236-L241 HydrophobicContact CB-CD1 4.37Å; L236-L241 HydrophobicContact CD1-CD1 4.15Å; L236-L244 HydrophobicContact CD2-CD1 4.49Å
237D87.4Confident88.9Confident126 Ų126105.2 Ų105.267%0.67455%0.551SS**  trans-62.6134.9169.6-70.2-36.9000109.4D239 H240 L241D237-D239 VanDerWaalsContact C-N 3.27Å; D237-D239 PolarHBondContact O-N 3.02Å; D237-H240 HydrophobicContact CB-CB 4.43Å; D237-H240 PolarHBondContact O-N 3.42Å; D237-H240 VanDerWaalsContact O-N 3.08Å; D237-L241 PolarHBondContact O-N 2.9Å
238P89Confident89.1Confident94 Ų94106.6 Ų106.661%0.6156%0.558SS**Hα-helixtrans-59.1-38.5-172.823-33.5000112.2H240 L241 E242P238-H240 VanDerWaalsContact C-N 3.33Å; P238-H240 PolarHBondContact O-N 2.92Å; P238-L241 PolarHBondContact O-N 3.24Å; P238-E242 WeakPolarHBondContact O-CB 3.13Å; P238-E242 PolarHBondContact O-N 2.97Å
239D88.5Confident89.1Confident114 Ų114107.4 Ų107.461%0.6156%0.557SS**Hα-helixtrans-64.3-38.7179.1-60.8-26.3000111.8D237 Q243D237-D239 VanDerWaalsContact C-N 3.27Å; D237-D239 PolarHBondContact O-N 3.02Å; D239-Q243 VanDerWaalsContact O-CG 3.26Å; D239-Q243 WeakPolarHBondContact O-CG 3.35Å; D239-Q243 PolarHBondContact O-N 3.12Å; D239-Q243 VanDerWaalsContact O-N 3.1Å
240H89.1Confident89.3Confident92 Ų92108.9 Ų108.943%0.42656%0.558SS.*Hα-helixtrans-71.5-40.8178.1-170.559.1000111.3D237 P238 Q243 L244D237-H240 HydrophobicContact CB-CB 4.43Å; D237-H240 PolarHBondContact O-N 3.42Å; D237-H240 VanDerWaalsContact O-N 3.08Å; P238-H240 VanDerWaalsContact C-N 3.33Å; P238-H240 PolarHBondContact O-N 2.92Å; H240-Q243 PolarHBondContact O-N 3.32Å; H240-L244 VanDerWaalsContact O-CG 3.29Å; H240-L244 WeakPolarHBondContact O-CG 3.42Å; H240-L244 PolarHBondContact O-N 3.41Å
241L88.1Confident89.7Confident79 Ų79107.7 Ų107.741%0.41455%0.553SS.*Hα-helixtrans-59-47.5174.9-172.790.8000111.2L236 D237 P238 Q243 L244 I245L236-L241 HydrophobicContact CB-CD1 4.37Å; L236-L241 HydrophobicContact CD1-CD1 4.15Å; D237-L241 PolarHBondContact O-N 2.9Å; P238-L241 PolarHBondContact O-N 3.24Å; L241-Q243 VanDerWaalsContact C-N 3.35Å; L241-Q243 PolarHBondContact O-N 3.2Å; L241-L244 PolarHBondContact O-N 3.45Å; L241-I245 HydrophobicContact CD2-CD1 4.03Å; L241-I245 HydrophobicContact CG-CD1 3.88Å; L241-I245 VanDerWaalsContact O-CG1 3.32Å; L241-I245 WeakPolarHBondContact O-CG1 3.14Å; L241-I245 PolarHBondContact O-N 3.1Å
242E90.7Very high89.9Confident119 Ų119104.7 Ų104.756%0.55654%0.544SS*.Hα-helixtrans-63.7-40.9179.9-173.9175.7177.700111.6P238 I245 N246P238-E242 WeakPolarHBondContact O-CB 3.13Å; P238-E242 PolarHBondContact O-N 2.97Å; E242-I245 PolarHBondContact O-N 2.86Å; E242-N246 WeakPolarHBondContact CG-ND2 3.44Å; E242-N246 VanDerWaalsContact O-CB 3.23Å; E242-N246 WeakPolarHBondContact O-CB 3.25Å; E242-N246 VanDerWaalsContact O-CG 3.27Å; E242-N246 PolarHBondContact O-N 3.38Å; E242-N246 PolarHBondContact O-ND2 3.48Å; E242-N246 VanDerWaalsContact O-ND2 3.16Å
243Q92.1Very high90.2Very high134 Ų134105.6 Ų105.663%0.62654%0.542SS*.Hα-helixtrans-61.4-43.7173.9-74.5175.21200112.4D239 H240 L241 N246 S247D239-Q243 VanDerWaalsContact O-CG 3.26Å; D239-Q243 WeakPolarHBondContact O-CG 3.35Å; D239-Q243 PolarHBondContact O-N 3.12Å; D239-Q243 VanDerWaalsContact O-N 3.1Å; H240-Q243 PolarHBondContact O-N 3.32Å; L241-Q243 VanDerWaalsContact C-N 3.35Å; L241-Q243 PolarHBondContact O-N 3.2Å; Q243-N246 PolarHBondContact O-N 3.36Å; Q243-S247 WeakPolarHBondContact O-CB 3.48Å; Q243-S247 PolarHBondContact O-N 3.47Å
244L90.7Very high90.7Very high88 Ų88105.7 Ų105.746%0.46154%0.541SS..Hα-helixtrans-63.6-46.3177.7-72.7172.9000111.9L236 H240 L241 S247 S248L236-L244 HydrophobicContact CD2-CD1 4.49Å; H240-L244 VanDerWaalsContact O-CG 3.29Å; H240-L244 WeakPolarHBondContact O-CG 3.42Å; H240-L244 PolarHBondContact O-N 3.41Å; L241-L244 PolarHBondContact O-N 3.45Å; L244-S247 PolarHBondContact O-N 2.91Å; L244-S248 WeakPolarHBondContact O-CB 3.44Å; L244-S248 PolarHBondContact O-N 2.67Å
245I91.9Very high91.3Very high99 Ų99105.9 Ų105.951%0.50854%0.536SS..Hα-helixtrans-61.5-47.1177.4-68.6168.6000110.1L241 E242 S247 S248 Y249L241-I245 HydrophobicContact CD2-CD1 4.03Å; L241-I245 HydrophobicContact CG-CD1 3.88Å; L241-I245 VanDerWaalsContact O-CG1 3.32Å; L241-I245 WeakPolarHBondContact O-CG1 3.14Å; L241-I245 PolarHBondContact O-N 3.1Å; E242-I245 PolarHBondContact O-N 2.86Å; I245-S247 VanDerWaalsContact C-N 3.35Å; I245-S247 PolarHBondContact O-N 3.48Å; I245-S248 PolarHBondContact O-N 2.62Å; I245-Y249 VanDerWaalsContact O-CB 3.3Å; I245-Y249 WeakPolarHBondContact O-CB 3.39Å; I245-Y249 PolarHBondContact O-N 3Å
246N93.9Very high92Very high68 Ų6899.4 Ų99.436%0.36451%0.514SS..Hα-helixtrans-64.6-37.4179.6-78.4-34.1000112.6E242 Q243 K250E242-N246 WeakPolarHBondContact CG-ND2 3.44Å; E242-N246 VanDerWaalsContact O-CB 3.23Å; E242-N246 WeakPolarHBondContact O-CB 3.25Å; E242-N246 VanDerWaalsContact O-CG 3.27Å; E242-N246 PolarHBondContact O-N 3.38Å; E242-N246 PolarHBondContact O-ND2 3.48Å; E242-N246 VanDerWaalsContact O-ND2 3.16Å; Q243-N246 PolarHBondContact O-N 3.36Å; N246-K250 WeakPolarHBondContact O-CB 3.49Å; N246-K250 WeakPolarHBondContact O-CD 3.29Å; N246-K250 WeakPolarHBondContact O-CG 3.34Å; N246-K250 PolarHBondContact O-N 3.39Å; N246-K250 VanDerWaalsContact O-N 3.07Å
247S93.9Very high92.9Very high62 Ų62102.8 Ų102.843%0.43452%0.522SS..Hα-helixtrans-64.7-51.1174.7-166.60000110.9Q243 L244 I245 Y249 K250 D251Q243-S247 WeakPolarHBondContact O-CB 3.48Å; Q243-S247 PolarHBondContact O-N 3.47Å; L244-S247 PolarHBondContact O-N 2.91Å; I245-S247 VanDerWaalsContact C-N 3.35Å; I245-S247 PolarHBondContact O-N 3.48Å; S247-Y249 VanDerWaalsContact C-N 3.31Å; S247-Y249 PolarHBondContact O-N 3.13Å; S247-K250 PolarHBondContact O-N 2.86Å; S247-D251 PolarHBondContact O-N 3.07Å
248S94.1Very high93.3Very high65 Ų65101.6 Ų101.646%0.45552%0.515SS..Hα-helixtrans-59.4-41.6179-178.50000112.2L244 I245 D251 L252L244-S248 WeakPolarHBondContact O-CB 3.44Å; L244-S248 PolarHBondContact O-N 2.67Å; I245-S248 PolarHBondContact O-N 2.62Å; S248-D251 PolarHBondContact O-N 3.36Å; S248-L252 PolarHBondContact O-N 2.9Å
249Y94.8Very high93.7Very high154 Ų15499.8 Ų99.860%0.60450%0.503SS*.Hα-helixtrans-63.7-43.1176.6-175.8-101.2000112.6I245 S247 D251 L252 L253I245-Y249 VanDerWaalsContact O-CB 3.3Å; I245-Y249 WeakPolarHBondContact O-CB 3.39Å; I245-Y249 PolarHBondContact O-N 3Å; S247-Y249 VanDerWaalsContact C-N 3.31Å; S247-Y249 PolarHBondContact O-N 3.13Å; Y249-D251 VanDerWaalsContact C-N 3.33Å; Y249-D251 PolarHBondContact O-N 2.91Å; Y249-L252 PolarHBondContact O-N 3.06Å; Y249-L253 WeakPolarHBondContact O-CB 3.13Å; Y249-L253 PolarHBondContact O-N 3.44Å
250K94.8Very high94Very high142 Ų14298 Ų9862%0.61749%0.493SS*.Hα-helixtrans-60.9-42.1175.1-75.1169.5-174.4176.10111.5N246 S247 L253 M254N246-K250 WeakPolarHBondContact O-CB 3.49Å; N246-K250 WeakPolarHBondContact O-CD 3.29Å; N246-K250 WeakPolarHBondContact O-CG 3.34Å; N246-K250 PolarHBondContact O-N 3.39Å; N246-K250 VanDerWaalsContact O-N 3.07Å; S247-K250 PolarHBondContact O-N 2.86Å; K250-L253 PolarHBondContact O-N 3.08Å; K250-M254 WeakPolarHBondContact O-CB 3.13Å; K250-M254 PolarHBondContact O-N 2.88Å
251D96.5Very high94.4Very high80 Ų8097.2 Ų97.243%0.42849%0.492SS..Hα-helixtrans-65.5-45.4178.8-67.6-25.5000111.7S247 S248 Y249 L253 M254 I255S247-D251 PolarHBondContact O-N 3.07Å; S248-D251 PolarHBondContact O-N 3.36Å; Y249-D251 VanDerWaalsContact C-N 3.33Å; Y249-D251 PolarHBondContact O-N 2.91Å; D251-L253 VanDerWaalsContact C-N 3.34Å; D251-L253 PolarHBondContact O-N 3.41Å; D251-M254 WeakPolarHBondContact O-CB 3.49Å; D251-M254 PolarHBondContact O-N 2.91Å; D251-I255 WeakPolarHBondContact O-CG1 3.32Å; D251-I255 PolarHBondContact O-N 3.23Å
252L95.3Very high94.8Very high103 Ų10397.8 Ų97.854%0.53949%0.494SS..Hα-helixtrans-60.3-41.8174.2-92.5153.4000112.5S248 Y249 I255 T256S248-L252 PolarHBondContact O-N 2.9Å; Y249-L252 PolarHBondContact O-N 3.06Å; L252-I255 PolarHBondContact O-N 3.13Å; L252-T256 WeakPolarHBondContact O-CB 3.17Å; L252-T256 PolarHBondContact O-N 3.07Å; L252-T256 PolarHBondContact O-OG1 2.89Å
253L95.4Very high95Very high102 Ų10299.3 Ų99.353%0.53450%0.495SS..Hα-helixtrans-66-41.4177.2-170.269.2000111.3Y249 K250 D251 T256 Y257Y249-L253 WeakPolarHBondContact O-CB 3.13Å; Y249-L253 PolarHBondContact O-N 3.44Å; K250-L253 PolarHBondContact O-N 3.08Å; D251-L253 VanDerWaalsContact C-N 3.34Å; D251-L253 PolarHBondContact O-N 3.41Å; L253-T256 PolarHBondContact O-N 3.11Å; L253-Y257 WeakPolarHBondContact O-CB 3.45Å; L253-Y257 PolarHBondContact O-N 2.96Å
254M95.9Very high95.1Very high117 Ų11796.3 Ų96.358%0.57649%0.486SS*.Hα-helixtrans-60.6-45.7175.4-178.5-177.266.600111.5K250 D251 T256 Y257 L258K250-M254 WeakPolarHBondContact O-CB 3.13Å; K250-M254 PolarHBondContact O-N 2.88Å; D251-M254 WeakPolarHBondContact O-CB 3.49Å; D251-M254 PolarHBondContact O-N 2.91Å; M254-T256 VanDerWaalsContact C-N 3.34Å; M254-T256 PolarHBondContact O-N 3.09Å; M254-Y257 PolarHBondContact O-N 3.39Å; M254-L258 WeakPolarHBondContact O-CB 3.47Å; M254-L258 PolarHBondContact O-N 2.97Å
255I96.2Very high95.3Very high96 Ų9697.4 Ų97.449%0.49249%0.489SS..Hα-helixtrans-61.9-43.4177.1-68.4166.4000110.8D251 L252 L258 T259D251-I255 WeakPolarHBondContact O-CG1 3.32Å; D251-I255 PolarHBondContact O-N 3.23Å; L252-I255 PolarHBondContact O-N 3.13Å; I255-L258 PolarHBondContact O-N 3.36Å; I255-T259 WeakPolarHBondContact O-CB 3.44Å; I255-T259 PolarHBondContact O-N 3.3Å; I255-T259 PolarHBondContact O-OG1 3.09Å
256T95.3Very high95.5Very high73 Ų7397.1 Ų97.145%0.44849%0.487SS..Hα-helixtrans-63.1-43.8178-56.30000111.3L252 L253 M254 T259 N260L252-T256 WeakPolarHBondContact O-CB 3.17Å; L252-T256 PolarHBondContact O-N 3.07Å; L252-T256 PolarHBondContact O-OG1 2.89Å; L253-T256 PolarHBondContact O-N 3.11Å; M254-T256 VanDerWaalsContact C-N 3.34Å; M254-T256 PolarHBondContact O-N 3.09Å; T256-T259 PolarHBondContact O-N 3.08Å; T256-N260 PolarHBondContact O-N 3.1Å; T256-N260 PolarHBondContact O-ND2 3.1Å
257Y96.7Very high95.5Very high151 Ų151100.7 Ų100.759%0.59250%0.5SS*.Hα-helixtrans-62.5-47.5176.4179.5-106.8000112L253 M254 T259 N260 L261L253-Y257 WeakPolarHBondContact O-CB 3.45Å; L253-Y257 PolarHBondContact O-N 2.96Å; M254-Y257 PolarHBondContact O-N 3.39Å; Y257-T259 VanDerWaalsContact C-N 3.35Å; Y257-T259 PolarHBondContact O-N 3.18Å; Y257-N260 PolarHBondContact O-N 2.93Å; Y257-L261 HydrophobicContact CD1-CD1 3.91Å; Y257-L261 HydrophobicContact CD1-CG 4.42Å; Y257-L261 HydrophobicContact CE1-CD1 3.32Å; Y257-L261 HydrophobicContact CE1-CG 4.01Å; Y257-L261 HydrophobicContact CE2-CD1 4.5Å; Y257-L261 HydrophobicContact CE2-CG 4.37Å; Y257-L261 PolarHBondContact O-N 3.41Å
258L96.7Very high95.5Very high101 Ų101102.8 Ų102.853%0.52951%0.505SS..Hα-helixtrans-61-43.3177.5-17665.1000111.7M254 I255 N260 L261 I262M254-L258 WeakPolarHBondContact O-CB 3.47Å; M254-L258 PolarHBondContact O-N 2.97Å; I255-L258 PolarHBondContact O-N 3.36Å; L258-N260 VanDerWaalsContact C-N 3.3Å; L258-N260 PolarHBondContact O-N 2.89Å; L258-L261 PolarHBondContact O-N 2.98Å; L258-I262 HydrophobicContact CD1-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 4.1Å; L258-I262 WeakPolarHBondContact O-CG1 3.21Å; L258-I262 PolarHBondContact O-N 3.02Å
259T96.6Very high95.5Very high56 Ų56103.8 Ų103.834%0.34451%0.505SS..Hα-helixtrans-60.5-41.7176.4-57.80000111.3I255 T256 Y257 I262 R263I255-T259 WeakPolarHBondContact O-CB 3.44Å; I255-T259 PolarHBondContact O-N 3.3Å; I255-T259 PolarHBondContact O-OG1 3.09Å; T256-T259 PolarHBondContact O-N 3.08Å; Y257-T259 VanDerWaalsContact C-N 3.35Å; Y257-T259 PolarHBondContact O-N 3.18Å; T259-I262 PolarHBondContact O-N 3.3Å; T259-R263 WeakPolarHBondContact O-CB 3.41Å; T259-R263 WeakPolarHBondContact O-CG 3.19Å; T259-R263 PolarHBondContact O-N 3.46Å
260N96Very high95.4Very high77 Ų77102 Ų10241%0.41251%0.506SS..Hα-helixtrans-68.2-39.2176.8-76.4-28.7000112.5T256 Y257 L258 R263 T264T256-N260 PolarHBondContact O-N 3.1Å; T256-N260 PolarHBondContact O-ND2 3.1Å; Y257-N260 PolarHBondContact O-N 2.93Å; L258-N260 VanDerWaalsContact C-N 3.3Å; L258-N260 PolarHBondContact O-N 2.89Å; N260-R263 PolarHBondContact O-N 3.28Å; N260-T264 WeakPolarHBondContact O-CG2 3.48Å; N260-T264 PolarHBondContact O-N 2.86Å; N260-T264 PolarHBondContact O-OG1 3.34Å
261L96.1Very high95.1Very high75 Ų75102.4 Ų102.439%0.39351%0.514SS..Hα-helixtrans-62-41.8173-76.9-179.4000112.5Y257 L258 T264 H265Y257-L261 HydrophobicContact CD1-CD1 3.91Å; Y257-L261 HydrophobicContact CD1-CG 4.42Å; Y257-L261 HydrophobicContact CE1-CD1 3.32Å; Y257-L261 HydrophobicContact CE1-CG 4.01Å; Y257-L261 HydrophobicContact CE2-CD1 4.5Å; Y257-L261 HydrophobicContact CE2-CG 4.37Å; Y257-L261 PolarHBondContact O-N 3.41Å; L258-L261 PolarHBondContact O-N 2.98Å; L261-T264 WeakPolarHBondContact CA-OG1 2.97Å; L261-T264 PolarHBondContact O-N 3.38Å; L261-T264 PolarHBondContact O-OG1 3.34Å; L261-H265 WeakPolarHBondContact O-CB 3.36Å; L261-H265 PolarHBondContact O-N 3Å
262I96.3Very high94.6Very high92 Ų92102.7 Ų102.747%0.47253%0.527SS..Hα-helixtrans-64.1-44.9175.5-67.1166.1000109.8L258 T259 T264 H265 L266L258-I262 HydrophobicContact CD1-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 4.1Å; L258-I262 WeakPolarHBondContact O-CG1 3.21Å; L258-I262 PolarHBondContact O-N 3.02Å; T259-I262 PolarHBondContact O-N 3.3Å; I262-T264 PolarHBondContact O-N 3.48Å; I262-H265 PolarHBondContact O-N 3.16Å; I262-L266 HydrophobicContact CG2-CD1 4Å; I262-L266 HydrophobicContact CG2-CG 4.36Å; I262-L266 WeakPolarHBondContact O-CB 3.39Å; I262-L266 VanDerWaalsContact O-CG 3.3Å; I262-L266 WeakPolarHBondContact O-CG 3.26Å; I262-L266 PolarHBondContact O-N 3.4Å
263R95.3Very high93.1Very high150 Ų150108.5 Ų108.557%0.56655%0.552SS**Hα-helixtrans-60.7-40.6176.2-76.5176.1-180172.2-1.1112.6T259 N260 K267T259-R263 WeakPolarHBondContact O-CB 3.41Å; T259-R263 WeakPolarHBondContact O-CG 3.19Å; T259-R263 PolarHBondContact O-N 3.46Å; N260-R263 PolarHBondContact O-N 3.28Å; R263-K267 WeakPolarHBondContact O-CG 3.39Å; R263-K267 PolarHBondContact O-N 3Å
264T95.5Very high93Very high72 Ų72108.8 Ų108.844%0.44255%0.552SS.*Hα-helixtrans-69.6-40.817754.80000111.5N260 L261 I262 K267 I268N260-T264 WeakPolarHBondContact O-CG2 3.48Å; N260-T264 PolarHBondContact O-N 2.86Å; N260-T264 PolarHBondContact O-OG1 3.34Å; L261-T264 WeakPolarHBondContact CA-OG1 2.97Å; L261-T264 PolarHBondContact O-N 3.38Å; L261-T264 PolarHBondContact O-OG1 3.34Å; I262-T264 PolarHBondContact O-N 3.48Å; T264-K267 PolarHBondContact O-N 3.09Å; T264-I268 VanDerWaalsContact O-CG1 3.31Å; T264-I268 WeakPolarHBondContact O-CG1 3.43Å; T264-I268 PolarHBondContact O-N 2.88Å
265H94.8Very high92.9Very high111 Ų111108.4 Ų108.451%0.51455%0.551SS.*Hα-helixtrans-62.3-43.6175.6-169.368.7000112L261 I262 K267 I268 L269L261-H265 WeakPolarHBondContact O-CB 3.36Å; L261-H265 PolarHBondContact O-N 3Å; I262-H265 PolarHBondContact O-N 3.16Å; H265-K267 VanDerWaalsContact C-N 3.34Å; H265-K267 PolarHBondContact O-N 3.29Å; H265-I268 PolarHBondContact O-N 3.18Å; H265-L269 WeakPolarHBondContact O-CG 3.28Å; H265-L269 PolarHBondContact O-N 3.27Å
266L95.1Very high92.7Very high92 Ų92109.1 Ų109.148%0.48255%0.554SS.*Hα-helixtrans-60.2-41.1173.6-72.3173000112.2I262 L269 N270I262-L266 HydrophobicContact CG2-CD1 4Å; I262-L266 HydrophobicContact CG2-CG 4.36Å; I262-L266 WeakPolarHBondContact O-CB 3.39Å; I262-L266 VanDerWaalsContact O-CG 3.3Å; I262-L266 WeakPolarHBondContact O-CG 3.26Å; I262-L266 PolarHBondContact O-N 3.4Å; L266-L269 PolarHBondContact O-N 3.1Å; L266-N270 WeakPolarHBondContact O-CB 3.27Å; L266-N270 VanDerWaalsContact O-CG 3.28Å; L266-N270 PolarHBondContact O-N 2.86Å
267K95Very high92.5Very high143 Ų143111.2 Ų111.262%0.62256%0.561SS**Hα-helixtrans-63.7-40.8175-75.5176.8-179.6-174.50112.4R263 T264 H265 N270 L271R263-K267 WeakPolarHBondContact O-CG 3.39Å; R263-K267 PolarHBondContact O-N 3Å; T264-K267 PolarHBondContact O-N 3.09Å; H265-K267 VanDerWaalsContact C-N 3.34Å; H265-K267 PolarHBondContact O-N 3.29Å; K267-N270 PolarHBondContact O-N 2.77Å; K267-L271 WeakPolarHBondContact O-CG 3.41Å; K267-L271 PolarHBondContact O-N 3.48Å; K267-L271 VanDerWaalsContact O-N 3.14Å
268I94.2Very high92.3Very high107 Ų107108.7 Ų108.755%0.54956%0.559SS.*Hα-helixtrans-66.3-44178.3-67.7164.4000110.5T264 H265 N270 L271 A272T264-I268 VanDerWaalsContact O-CG1 3.31Å; T264-I268 WeakPolarHBondContact O-CG1 3.43Å; T264-I268 PolarHBondContact O-N 2.88Å; H265-I268 PolarHBondContact O-N 3.18Å; I268-N270 VanDerWaalsContact C-N 3.33Å; I268-N270 PolarHBondContact O-N 2.7Å; I268-L271 PolarHBondContact O-N 3.11Å; I268-L271 VanDerWaalsContact O-N 3.15Å; I268-A272 PolarHBondContact O-N 3.41Å; I268-A272 VanDerWaalsContact O-N 3.15Å
269L93.1Very high92Very high86 Ų86109.2 Ų109.245%0.4556%0.561SS.*Hα-helixtrans-60.6-42.1176.5-74169.1000112H265 L266 L271 A272H265-L269 WeakPolarHBondContact O-CG 3.28Å; H265-L269 PolarHBondContact O-N 3.27Å; L266-L269 PolarHBondContact O-N 3.1Å; L269-L271 VanDerWaalsContact C-N 3.26Å; L269-L271 PolarHBondContact O-N 3.12Å; L269-A272 PolarHBondContact O-N 3Å
270N91.7Very high91.6Very high117 Ų117113 Ų11363%0.62658%0.576SS**Hα-helixtrans-66.8-24.8176.5-73-10000113.5L266 K267 I268L266-N270 WeakPolarHBondContact O-CB 3.27Å; L266-N270 VanDerWaalsContact O-CG 3.28Å; L266-N270 PolarHBondContact O-N 2.86Å; K267-N270 PolarHBondContact O-N 2.77Å; I268-N270 VanDerWaalsContact C-N 3.33Å; I268-N270 PolarHBondContact O-N 2.7Å
271L89.6Confident91.3Very high149 Ų149115.8 Ų115.878%0.7859%0.589SS**Hα-helixtrans-84.3-16.3175.4-73.6167.8000113.1K267 I268 L269K267-L271 WeakPolarHBondContact O-CG 3.41Å; K267-L271 PolarHBondContact O-N 3.48Å; K267-L271 VanDerWaalsContact O-N 3.14Å; I268-L271 PolarHBondContact O-N 3.11Å; I268-L271 VanDerWaalsContact O-N 3.15Å; L269-L271 VanDerWaalsContact C-N 3.26Å; L269-L271 PolarHBondContact O-N 3.12Å
272A85.1Confident90.9Very high86 Ų86119.2 Ų119.271%0.71161%0.605SS**  trans-90.9-7.9-179.800000113.6I268 L269I268-A272 PolarHBondContact O-N 3.41Å; I268-A272 VanDerWaalsContact O-N 3.15Å; L269-A272 PolarHBondContact O-N 3Å
273Q65.2Low90.4Very high225 Ų225121.6 Ų121.6100%1.05162%0.617SS**  trans-93.70170.6-70.9-171.9-26.200110.9

Retrieved 273 of 273 residues in 67.1 ms (Link to these results)

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