A0A060WR48_ONCMY Loading...

Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial

Transaminase with broad substrate specificity. Has transaminase activity towards aminoadipate, kynurenine, methionine and glutamate. Shows activity also towards tryptophan, aspartate and hydroxykynurenine. Accepts a variety of oxo-acids as amino-group acceptors, with a preference for 2-oxoglutarate, 2-oxocaproic acid, phenylpyruvate and alpha-oxo-gamma-methiol butyric acid. Can also use glyoxylate as amino-group acceptor (in vitro).

AlphaFold DB , UniProt , Accession A0A060WR48, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500455, Length 424 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
1M88.9Confident95.3Very high75 Ų7547.5 Ų47.537%0.36929%0.289SS..  01420-77.8-72.2-78.400110Y3 F6 L225 D251 R253M1-Y3 HydrophobicContact CB-CD1 4.46Å; M1-Y3 HydrophobicContact CB-CE1 3.92Å; M1-Y3 HydrophobicContact CB-CE2 4.07Å; M1-F6 HydrophobicContact CE-CE2 3.72Å; M1-F6 HydrophobicContact CE-CZ 3.93Å; M1-L225 HydrophobicContact CE-CD2 4.03Å; M1-D251 HydrophobicContact CG-CB 4.37Å; M1-D251 WeakPolarHBondContact CG-O 3.43Å; M1-R253 HydrophobicContact CE-CB 3.92Å
2N91.5Very high95.5Very high100 Ų10048.2 Ų48.254%0.53530%0.302SS..  trans-97.992.8169.6177.28.1000109.9A4 R5N2-A4 VanDerWaalsContact C-N 3.25Å; N2-A4 PolarHBondContact O-N 3.08Å; N2-A4 WeakPolarHBondContact OD1-CB 3.44Å; N2-A4 PolarHBondContact OD1-N 3.22Å; N2-R5 PolarHBondContact O-N 3.3Å
3Y95.4Very high95.7Very high23 Ų2350.1 Ų50.19%0.0933%0.326CS..G310 helixtrans-65.9-24.2-175.8-65.2-65.7000114.3M1 R5 F6 G252 P276 P278 L279M1-Y3 HydrophobicContact CB-CD1 4.46Å; M1-Y3 HydrophobicContact CB-CE1 3.92Å; M1-Y3 HydrophobicContact CB-CE2 4.07Å; Y3-R5 PolarHBondContact O-N 3.28Å; Y3-F6 PolarHBondContact O-N 3.08Å; Y3-F6 VanDerWaalsContact O-N 3.09Å; Y3-G252 WeakPolarHBondContact CE1-O 3.48Å; Y3-G252 PolarHBondContact OH-O 2.67Å; Y3-P276 HydrophobicContact CE1-CB 3.77Å; Y3-P276 HydrophobicContact CE1-CG 3.87Å; Y3-P276 HydrophobicContact CE2-CB 4.25Å; Y3-P276 WeakPolarHBondContact OH-CB 3.37Å; Y3-P278 HydrophobicContact CD2-CB 3.72Å; Y3-P278 HydrophobicContact CD2-CG 3.64Å; Y3-P278 HydrophobicContact CE2-CB 4.36Å; Y3-P278 HydrophobicContact CE2-CG 3.88Å; Y3-P278 HydrophobicContact CG-CB 4.1Å; Y3-P278 HydrophobicContact CG-CG 4.48Å; Y3-L279 HydrophobicContact CD1-CD1 3.76Å; Y3-L279 HydrophobicContact CD1-CD2 3.89Å; Y3-L279 HydrophobicContact CD1-CG 3.72Å; Y3-L279 HydrophobicContact CE1-CD1 4Å; Y3-L279 HydrophobicContact CE1-CG 4.23Å; Y3-L279 HydrophobicContact CG-CD2 4.21Å; Y3-L279 HydrophobicContact CG-CG 4.29Å
4A94.2Very high95.8Very high69 Ų6951.1 Ų51.157%0.5732%0.32SS*.G310 helixtrans-62.5-30-177.300000112.8N2 F6 L7N2-A4 VanDerWaalsContact C-N 3.25Å; N2-A4 PolarHBondContact O-N 3.08Å; N2-A4 WeakPolarHBondContact OD1-CB 3.44Å; N2-A4 PolarHBondContact OD1-N 3.22Å; A4-F6 PolarHBondContact O-N 3.13Å; A4-L7 PolarHBondContact O-N 2.86Å
5R92.3Very high95.6Very high37 Ų3759.5 Ų59.514%0.1435%0.35CS..G310 helixtrans-59.6-28.9176.2174.1177.2174.6-99.4-12.2113.1N2 Y3 V182 R191 D223N2-R5 PolarHBondContact O-N 3.3Å; Y3-R5 PolarHBondContact O-N 3.28Å; R5-V182 VanDerWaalsContact CZ-O 3.28Å; R5-V182 PolarHBondContact NE-O 3.14Å; R5-V182 VanDerWaalsContact NH2-CG1 3.31Å; R5-V182 PolarHBondContact NH2-O 3.03Å; R5-R191 PolarHBondContact O-NH1 3.33Å; R5-D223 IonicContact CZ-OD2 3.4Å; R5-D223 PolarHBondContact NH1-O 3.31Å; R5-D223 IonicContact NH1-OD2 3.27Å; R5-D223 PolarHBondContact NH1-OD2 3.24Å
6F96Very high95.2Very high1 Ų160.3 Ų60.30%0.00436%0.357CS..G310 helixtrans-90.9-13.7-175.7-61.2-79.2000112.9M1 Y3 A4 L127 R191 D223 L225M1-F6 HydrophobicContact CE-CE2 3.72Å; M1-F6 HydrophobicContact CE-CZ 3.93Å; Y3-F6 PolarHBondContact O-N 3.08Å; Y3-F6 VanDerWaalsContact O-N 3.09Å; A4-F6 PolarHBondContact O-N 3.13Å; F6-L127 HydrophobicContact CB-CD2 3.77Å; F6-L127 WeakPolarHBondContact O-CA 3.35Å; F6-L127 VanDerWaalsContact O-CD2 3.25Å; F6-L127 WeakPolarHBondContact O-CD2 3.49Å; F6-R191 HydrophobicContact CD1-CB 4.06Å; F6-R191 HydrophobicContact CE1-CB 4.27Å; F6-D223 WeakPolarHBondContact CE1-O 3.37Å; F6-D223 WeakPolarHBondContact CZ-O 3.47Å; F6-L225 HydrophobicContact CB-CD1 3.75Å; F6-L225 HydrophobicContact CD1-CD1 3.62Å; F6-L225 HydrophobicContact CD1-CG 3.6Å; F6-L225 HydrophobicContact CD2-CD1 4.14Å; F6-L225 HydrophobicContact CD2-CD2 4.5Å; F6-L225 HydrophobicContact CD2-CG 4.24Å; F6-L225 HydrophobicContact CE1-CD1 4.24Å; F6-L225 HydrophobicContact CE1-CD2 4.48Å; F6-L225 HydrophobicContact CE1-CG 3.68Å; F6-L225 HydrophobicContact CE2-CD2 4.36Å; F6-L225 HydrophobicContact CE2-CG 4.3Å; F6-L225 HydrophobicContact CG-CD1 3.56Å; F6-L225 HydrophobicContact CG-CG 3.89Å; F6-L225 HydrophobicContact CZ-CD2 4.35Å; F6-L225 HydrophobicContact CZ-CG 4.03Å
7L97.5Very high94.4Very high32 Ų3259.2 Ų59.217%0.16835%0.354CS..  trans-85.7133.9-174.7-59.1-179.1000111.1A4 M126 L279 R282A4-L7 PolarHBondContact O-N 2.86Å; L7-M126 HydrophobicContact CD2-CG 3.62Å; L7-M126 HydrophobicContact CD2-SD 3.98Å; L7-L279 HydrophobicContact CD2-CD2 3.86Å; L7-R282 HydrophobicContact CD1-CG 4.3Å; L7-R282 HydrophobicContact CD2-CG 3.95Å
8T98Very high93.7Very high4 Ų461.4 Ų61.43%0.02537%0.369CS..  trans-61.4155.6164.164.20000110.4V10 S11 A12 E125 M126 V128 N129T8-V10 PolarHBondContact O-N 3.02Å; T8-S11 PolarHBondContact O-N 3.23Å; T8-S11 VanDerWaalsContact OG1-CB 3.3Å; T8-S11 WeakPolarHBondContact OG1-CB 3.32Å; T8-S11 PolarHBondContact OG1-N 2.63Å; T8-S11 VanDerWaalsContact OG1-N 3.09Å; T8-A12 VanDerWaalsContact O-CB 3.29Å; T8-A12 WeakPolarHBondContact O-CB 2.86Å; T8-A12 PolarHBondContact O-N 3.47Å; T8-E125 PolarHBondContact OG1-O 3.15Å; T8-M126 WeakPolarHBondContact CG2-O 3.12Å; T8-M126 PolarHBondContact N-O 3.07Å; T8-M126 PolarHBondContact OG1-O 2.83Å; T8-V128 WeakPolarHBondContact CG2-O 3.3Å; T8-N129 WeakPolarHBondContact CB-OD1 3.36Å; T8-N129 WeakPolarHBondContact CG2-OD1 3.41Å
9A97.7Very high92.8Very high76 Ų7663.7 Ų63.763%0.62838%0.378SS*.Hα-helixtrans-59.9-35.3175.700000112.1A12 A13A9-A12 WeakPolarHBondContact O-CB 3.48Å; A9-A12 PolarHBondContact O-N 3.3Å; A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 3.16Å
10V98.2Very high92.1Very high102 Ų10262.8 Ų62.862%0.61837%0.368SS*.Hα-helixtrans-64.5-48.3176.1176.50000110.7T8 A13 R14T8-V10 PolarHBondContact O-N 3.02Å; V10-A13 PolarHBondContact O-N 3.26Å; V10-R14 PolarHBondContact O-N 3Å
11S98.3Very high91.5Very high4 Ų463.4 Ų63.43%0.02837%0.369CS..Hα-helixtrans-59.4-50.3174.3-175.40000110.1T8 A13 R14 R282T8-S11 PolarHBondContact O-N 3.23Å; T8-S11 VanDerWaalsContact OG1-CB 3.3Å; T8-S11 WeakPolarHBondContact OG1-CB 3.32Å; T8-S11 PolarHBondContact OG1-N 2.63Å; T8-S11 VanDerWaalsContact OG1-N 3.09Å; S11-A13 PolarHBondContact O-N 2.64Å; S11-A13 VanDerWaalsContact O-N 3.15Å; S11-R14 WeakPolarHBondContact O-CB 3.3Å; S11-R14 PolarHBondContact O-N 3.42Å; S11-R282 PolarHBondContact O-NE 2.96Å; S11-R282 PolarHBondContact O-NH1 3.42Å; S11-R282 PolarHBondContact O-NH2 3.25Å; S11-R282 PolarHBondContact OG-NE 2.93Å
12A98Very high91.1Very high55 Ų5563.8 Ų63.846%0.45537%0.372SS..Hα-helixtrans-46.4-42.5176.300000112.8T8 A9 R14 R282T8-A12 VanDerWaalsContact O-CB 3.29Å; T8-A12 WeakPolarHBondContact O-CB 2.86Å; T8-A12 PolarHBondContact O-N 3.47Å; A9-A12 WeakPolarHBondContact O-CB 3.48Å; A9-A12 PolarHBondContact O-N 3.3Å; A12-R14 PolarHBondContact O-N 3.36Å; A12-R282 PolarHBondContact O-NH2 3.12Å
13A98Very high90.3Very high73 Ų7360.3 Ų60.360%0.60335%0.354SS*.Hα-helixtrans-77.9-14.5-176.700000115.1A9 V10 S11 K15A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 3.16Å; V10-A13 PolarHBondContact O-N 3.26Å; S11-A13 PolarHBondContact O-N 2.64Å; S11-A13 VanDerWaalsContact O-N 3.15Å; A13-K15 PolarHBondContact O-N 3.34Å
14R96.8Very high89.4Confident64 Ų6461 Ų6124%0.24236%0.359CS..  trans-62.7130.2178.7-64-177.8-175.1-84.20.5110.2V10 S11 A12 R282 L285 H286V10-R14 PolarHBondContact O-N 3Å; S11-R14 WeakPolarHBondContact O-CB 3.3Å; S11-R14 PolarHBondContact O-N 3.42Å; A12-R14 PolarHBondContact O-N 3.36Å; R14-R282 PolarHBondContact O-NH1 2.86Å; R14-L285 HydrophobicContact CB-CB 4.12Å; R14-L285 HydrophobicContact CB-CD1 4.26Å; R14-H286 PolarHBondContact NH1-CD2 3.05Å; R14-H286 VanDerWaalsContact NH1-CD2 3.34Å; R14-H286 PolarHBondContact NH2-CD2 3.41Å; R14-H286 PolarHBondContact NH2-CE1 2.76Å; R14-H286 VanDerWaalsContact NH2-CE1 3.31Å; R14-H286 PolarHBondContact NH2-ND1 3.31Å; R14-H286 PolarHBondContact NH2-NE2 3.13Å; R14-H286 VanDerWaalsContact NH2-NE2 3.11Å
15K93.8Very high88.6Confident177 Ų17761.7 Ų61.777%0.7735%0.353SS*.  trans-115148.9176-65.2-178-178179.50110A13 S17A13-K15 PolarHBondContact O-N 3.34Å; K15-S17 PolarHBondContact O-N 3.14Å
16P88Confident88Confident72 Ų7263.5 Ų63.547%0.46836%0.363SS..  trans-52.5134.6169.9-25.534.5000111.7P18 I21 L285P16-P18 WeakPolarHBondContact O-CD 3.39Å; P16-I21 HydrophobicContact CB-CD1 3.71Å; P16-I21 HydrophobicContact CB-CG1 4.25Å; P16-L285 VanDerWaalsContact CA-CD2 3.42Å; P16-L285 HydrophobicContact CB-CD2 4.16Å; P16-L285 HydrophobicContact CG-CD2 4.09Å
17S82.7Confident86.9Confident43 Ų4367.1 Ų67.130%0.30138%0.38SS..  trans-73.8119.4171.2172.80000109.5K15 I19 R20 I21K15-S17 PolarHBondContact O-N 3.14Å; S17-I19 PolarHBondContact O-N 3Å; S17-R20 PolarHBondContact O-N 2.95Å; S17-I21 PolarHBondContact O-N 3.42Å; S17-I21 VanDerWaalsContact O-N 3.12Å
18P80.9Confident86Confident98 Ų9875.8 Ų75.864%0.63641%0.41SS*.Hα-helixtrans-56-37.5-178.9-2735.7000113.1P16 R20 I21 L22P16-P18 WeakPolarHBondContact O-CD 3.39Å; P18-R20 VanDerWaalsContact C-N 3.32Å; P18-R20 PolarHBondContact O-N 3.45Å; P18-I21 PolarHBondContact O-N 3.22Å; P18-L22 PolarHBondContact O-N 3Å
19I77.8Confident85.1Confident105 Ų10576.9 Ų76.954%0.53842%0.418SS..Hα-helixtrans-66.7-34.3178-62.7174.4000111.4S17 L22 T23S17-I19 PolarHBondContact O-N 3Å; I19-L22 PolarHBondContact O-N 2.98Å; I19-T23 PolarHBondContact O-N 2.81Å; I19-T23 PolarHBondContact O-OG1 3.38Å
20R78.1Confident84.4Confident46 Ų4677.1 Ų77.117%0.17441%0.413CS..Hα-helixtrans-74.1-37.1179.3-64.6-63.6177.7-169.4-4.3112.1S17 P18 L22 T23 D24 Q288 M292S17-R20 PolarHBondContact O-N 2.95Å; P18-R20 VanDerWaalsContact C-N 3.32Å; P18-R20 PolarHBondContact O-N 3.45Å; R20-L22 PolarHBondContact O-N 2.79Å; R20-T23 WeakPolarHBondContact O-CB 3.21Å; R20-T23 PolarHBondContact O-N 3.26Å; R20-D24 PolarHBondContact O-N 3.28Å; R20-D24 VanDerWaalsContact O-N 3.08Å; R20-Q288 HydrophobicContact CB-CG 4.48Å; R20-Q288 HydrophobicContact CG-CG 4.3Å; R20-M292 PolarHBondContact NH2-SD 3.33Å
21I78.6Confident83.4Confident76 Ų7679.1 Ų79.139%0.3943%0.428SS..Hα-helixtrans-56.1-42.6172.3-65.1172.6000110.7P16 S17 P18 T23 D24 I25P16-I21 HydrophobicContact CB-CD1 3.71Å; P16-I21 HydrophobicContact CB-CG1 4.25Å; S17-I21 PolarHBondContact O-N 3.42Å; S17-I21 VanDerWaalsContact O-N 3.12Å; P18-I21 PolarHBondContact O-N 3.22Å; I21-T23 VanDerWaalsContact C-N 3.28Å; I21-T23 PolarHBondContact O-N 2.8Å; I21-D24 PolarHBondContact O-N 2.88Å; I21-I25 HydrophobicContact CG2-CD1 3.77Å; I21-I25 HydrophobicContact CG2-CG1 4.33Å; I21-I25 VanDerWaalsContact O-CG1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.38Å; I21-I25 PolarHBondContact O-N 3.08Å
22L80.3Confident82.9Confident83 Ų8383.9 Ų83.944%0.43546%0.462SS..Hα-helixtrans-62.7-35.1177.7-65.5173.5000112.6P18 I19 R20 I25 Q26 A37P18-L22 PolarHBondContact O-N 3Å; I19-L22 PolarHBondContact O-N 2.98Å; R20-L22 PolarHBondContact O-N 2.79Å; L22-I25 PolarHBondContact O-N 3.39Å; L22-Q26 WeakPolarHBondContact O-CB 3.37Å; L22-Q26 PolarHBondContact O-N 3.32Å; L22-A37 HydrophobicContact CD1-CB 4.17Å
23T75.6Confident82.3Confident26 Ų2685.6 Ų85.616%0.1646%0.461CS..Hα-helixtrans-66.3-44.5176.6-53.70000110.8I19 R20 I21 Q26 Q27I19-T23 PolarHBondContact O-N 2.81Å; I19-T23 PolarHBondContact O-OG1 3.38Å; R20-T23 WeakPolarHBondContact O-CB 3.21Å; R20-T23 PolarHBondContact O-N 3.26Å; I21-T23 VanDerWaalsContact C-N 3.28Å; I21-T23 PolarHBondContact O-N 2.8Å; T23-Q26 PolarHBondContact O-N 2.94Å; T23-Q27 WeakPolarHBondContact O-CG 3.44Å; T23-Q27 PolarHBondContact O-N 3.06Å
24D76.3Confident81.6Confident37 Ų3789.3 Ų89.320%0.19847%0.47CS..Hα-helixtrans-64.6-39.6177-69.1-15000111.7R20 I21 Q27 R28R20-D24 PolarHBondContact O-N 3.28Å; R20-D24 VanDerWaalsContact O-N 3.08Å; I21-D24 PolarHBondContact O-N 2.88Å; D24-Q27 PolarHBondContact O-N 3.39Å; D24-R28 WeakPolarHBondContact O-CG 3.33Å; D24-R28 PolarHBondContact O-N 3Å
25I78.6Confident80.8Confident84 Ų8488.2 Ų88.243%0.43147%0.472SS..Hα-helixtrans-61.7-48.3173.7-69.5168.1000110I21 L22 Q27 R28 S29I21-I25 HydrophobicContact CG2-CD1 3.77Å; I21-I25 HydrophobicContact CG2-CG1 4.33Å; I21-I25 VanDerWaalsContact O-CG1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.38Å; I21-I25 PolarHBondContact O-N 3.08Å; L22-I25 PolarHBondContact O-N 3.39Å; I25-Q27 VanDerWaalsContact C-N 3.3Å; I25-Q27 PolarHBondContact O-N 2.9Å; I25-R28 CarbonylContact O-C 3.49Å; I25-R28 PolarHBondContact O-N 2.94Å; I25-R28 VanDerWaalsContact O-N 3.11Å; I25-S29 WeakPolarHBondContact O-CB 3.28Å; I25-S29 PolarHBondContact O-N 3.13Å; I25-S29 PolarHBondContact O-OG 3.4Å
26Q78.4Confident80.3Confident76 Ų7688 Ų8836%0.35548%0.478SS..Hα-helixtrans-59.6-40.6-179.7-177.4174.1-1400111.8L22 T23 R28 S29 S35L22-Q26 WeakPolarHBondContact O-CB 3.37Å; L22-Q26 PolarHBondContact O-N 3.32Å; T23-Q26 PolarHBondContact O-N 2.94Å; Q26-R28 VanDerWaalsContact C-N 3.27Å; Q26-R28 PolarHBondContact O-N 3.25Å; Q26-S29 PolarHBondContact O-N 2.98Å; Q26-S35 VanDerWaalsContact CD-CB 3.47Å; Q26-S35 PolarHBondContact OE1-OG 3.35Å
27Q74.4Confident79.8Confident76 Ų7687.5 Ų87.536%0.35548%0.48SS..Hα-helixtrans-66.8-26.3177.8-73.8177.613.200114T23 D24 I25 A76T23-Q27 WeakPolarHBondContact O-CG 3.44Å; T23-Q27 PolarHBondContact O-N 3.06Å; D24-Q27 PolarHBondContact O-N 3.39Å; I25-Q27 VanDerWaalsContact C-N 3.3Å; I25-Q27 PolarHBondContact O-N 2.9Å; Q27-A76 VanDerWaalsContact NE2-N 3.2Å
28R77.4Confident79.4Confident214 Ų21487.3 Ų87.381%0.80848%0.481SS*.Hα-helixtrans-94.5-5.8177.1-63.3176.4-171.3-176.54.2112.9D24 I25 Q26D24-R28 WeakPolarHBondContact O-CG 3.33Å; D24-R28 PolarHBondContact O-N 3Å; I25-R28 CarbonylContact O-C 3.49Å; I25-R28 PolarHBondContact O-N 2.94Å; I25-R28 VanDerWaalsContact O-N 3.11Å; Q26-R28 VanDerWaalsContact C-N 3.27Å; Q26-R28 PolarHBondContact O-N 3.25Å
29S79.3Confident79.4Confident27 Ų2786.3 Ų86.319%0.18949%0.489CS..SBendtrans-85.3158.5-177.1-67.70000111.5I25 Q26 M33I25-S29 WeakPolarHBondContact O-CB 3.28Å; I25-S29 PolarHBondContact O-N 3.13Å; I25-S29 PolarHBondContact O-OG 3.4Å; Q26-S29 PolarHBondContact O-N 2.98Å; S29-M33 VanDerWaalsContact CB-CE 3.44Å; S29-M33 WeakPolarHBondContact CB-SD 3.47Å; S29-M33 WeakPolarHBondContact OG-CE 3.09Å; S29-M33 PolarHBondContact OG-SD 2.95Å; S29-M33 VanDerWaalsContact OG-SD 3.39Å
30P82.8Confident79.8Confident81 Ų8183.6 Ų83.653%0.52648%0.482SS..  trans-56.9147.7175.1-24.434.5000111.9S32 M33P30-S32 PolarHBondContact O-N 3.46Å; P30-M33 WeakPolarHBondContact O-CB 3.38Å; P30-M33 PolarHBondContact O-N 3.35Å
31P78.3Confident80.5Confident144 Ų14484.1 Ų84.194%0.93549%0.491SS*.THydrogen-bonded Turntrans-57.9-20.7176.9-25.734.3000114.5M33P31-M33 VanDerWaalsContact C-N 3.27Å; P31-M33 PolarHBondContact O-N 2.94Å
32S86.3Confident81.2Confident105 Ų10584.9 Ų84.973%0.73450%0.496SS*.THydrogen-bonded Turntrans-76.3-8.6176.555.60000114.2P30 I34P30-S32 PolarHBondContact O-N 3.46Å; S32-I34 PolarHBondContact O-N 2.96Å
33M85.4Confident81.9Confident90 Ų9082.7 Ų82.744%0.44349%0.487SS..  trans-67.5117.5176.6-179.8176.9-75.400110.5S29 P30 P31 S35S29-M33 VanDerWaalsContact CB-CE 3.44Å; S29-M33 WeakPolarHBondContact CB-SD 3.47Å; S29-M33 WeakPolarHBondContact OG-CE 3.09Å; S29-M33 PolarHBondContact OG-SD 2.95Å; S29-M33 VanDerWaalsContact OG-SD 3.39Å; P30-M33 WeakPolarHBondContact O-CB 3.38Å; P30-M33 PolarHBondContact O-N 3.35Å; P31-M33 VanDerWaalsContact C-N 3.27Å; P31-M33 PolarHBondContact O-N 2.94Å; M33-S35 PolarHBondContact O-N 3.32Å
34I83.8Confident82.9Confident152 Ų15286.4 Ų86.478%0.77951%0.506SS*.  trans-83.9113.3170.5-58173.3000108S32S32-I34 PolarHBondContact O-N 2.96Å
35S79.8Confident83.9Confident41 Ų4189.8 Ų89.829%0.28753%0.528SS..  trans-106118.1176.4179.80000110.4Q26 M33Q26-S35 VanDerWaalsContact CD-CB 3.47Å; Q26-S35 PolarHBondContact OE1-OG 3.35Å; M33-S35 PolarHBondContact O-N 3.32Å
36L83.3Confident84.9Confident171 Ų17188.2 Ų88.290%0.89552%0.518SS*.SBendtrans-1036.7168.7-58180000112
37A77.2Confident85.8Confident62 Ų6290 Ų9051%0.51254%0.536SS..  trans-95.5-17-173.100000113.4L22L22-A37 HydrophobicContact CD1-CB 4.17Å
38A74.4Confident87Confident39 Ų3992.8 Ų92.832%0.32255%0.548SS..  trans-80.9128.6-176.900000111.5A40A38-A40 HydrophobicContact CB-CB 4.4Å; A38-A40 PolarHBondContact O-N 2.98Å; A38-A40 VanDerWaalsContact O-N 3.12Å
39G81.4Confident87.9Confident77 Ų7788.3 Ų88.379%0.79454%0.535SS*.  trans-80.232.7169.400000113.5
40A86.6Confident88.8Confident49 Ų4990.3 Ų90.341%0.40555%0.549SS..PPolyproline II helixtrans-85.3135-176.400000111A38A38-A40 HydrophobicContact CB-CB 4.4Å; A38-A40 PolarHBondContact O-N 2.98Å; A38-A40 VanDerWaalsContact O-N 3.12Å
41P91.8Very high89.6Confident56 Ų5687.9 Ų87.936%0.36453%0.534SS..PPolyproline II helixtrans-64.6150.9173.927.6-35.7000111.5P43 F46 Q73 Y74P41-P43 WeakPolarHBondContact O-CD 3.45Å; P41-F46 HydrophobicContact CB-CE1 4.14Å; P41-F46 HydrophobicContact CB-CZ 4.24Å; P41-F46 HydrophobicContact CG-CE1 4.07Å; P41-F46 HydrophobicContact CG-CZ 3.78Å; P41-Q73 PolarHBondContact O-NE2 3.1Å; P41-Y74 HydrophobicContact CG-CE2 4.47Å
42N94.6Very high90.5Very high92 Ų9284.2 Ų84.249%0.49251%0.512SS..PPolyproline II helixtrans-69.7116.5179.1-174.4-22.4000110.4N44 T45N42-N44 PolarHBondContact O-N 3.29Å; N42-N44 VanDerWaalsContact O-N 3.1Å; N42-N44 WeakPolarHBondContact OD1-CB 3.28Å; N42-N44 PolarHBondContact OD1-N 3.08Å; N42-N44 PolarHBondContact OD1-ND2 3.32Å; N42-T45 HydrophobicContact CB-CG2 4.41Å; N42-T45 PolarHBondContact O-N 2.86Å; N42-T45 VanDerWaalsContact O-N 3.1Å; N42-T45 PolarHBondContact O-OG1 3.49Å
43P94.3Very high90.9Very high38 Ų3881.9 Ų81.925%0.24749%0.489CS..G310 helixtrans-68.1-14.3-173.929.6-36.6000114P41 T45 F46 K69P41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-T45 PolarHBondContact O-N 3.2Å; P43-F46 HydrophobicContact CB-CD2 3.86Å; P43-F46 HydrophobicContact CB-CE2 3.75Å; P43-F46 WeakPolarHBondContact O-CB 3.39Å; P43-F46 PolarHBondContact O-N 3.03Å; P43-K69 HydrophobicContact CB-CB 3.91Å; P43-K69 HydrophobicContact CB-CG 4.04Å; P43-K69 HydrophobicContact CG-CB 4.31Å; P43-K69 HydrophobicContact CG-CG 4.48Å
44N97Very high91.5Very high104 Ų10484.3 Ų84.356%0.55650%0.499SS*.G310 helixtrans-68.1-16.6173.9-65.2-29.6000113.2N42 K69N42-N44 PolarHBondContact O-N 3.29Å; N42-N44 VanDerWaalsContact O-N 3.1Å; N42-N44 WeakPolarHBondContact OD1-CB 3.28Å; N42-N44 PolarHBondContact OD1-N 3.08Å; N42-N44 PolarHBondContact OD1-ND2 3.32Å; N44-K69 WeakPolarHBondContact OD1-CE 3.41Å; N44-K69 PolarHBondContact OD1-NZ 3.47Å
45T97.6Very high92.1Very high107 Ų10778.2 Ų78.266%0.65647%0.469SS*.G310 helixtrans-90.2-3.2177.669.60000112.6N42 P43N42-T45 HydrophobicContact CB-CG2 4.41Å; N42-T45 PolarHBondContact O-N 2.86Å; N42-T45 VanDerWaalsContact O-N 3.1Å; N42-T45 PolarHBondContact O-OG1 3.49Å; P43-T45 PolarHBondContact O-N 3.2Å
46F98.3Very high92.7Very high51 Ų5184.8 Ų84.822%0.22449%0.492CS..SBendtrans-76.5141.8177.3-57.4-24.8000110.5P41 P43 F48 L72P41-F46 HydrophobicContact CB-CE1 4.14Å; P41-F46 HydrophobicContact CB-CZ 4.24Å; P41-F46 HydrophobicContact CG-CE1 4.07Å; P41-F46 HydrophobicContact CG-CZ 3.78Å; P43-F46 HydrophobicContact CB-CD2 3.86Å; P43-F46 HydrophobicContact CB-CE2 3.75Å; P43-F46 WeakPolarHBondContact O-CB 3.39Å; P43-F46 PolarHBondContact O-N 3.03Å; F46-F48 VanDerWaalsContact C-N 3.33Å; F46-F48 PolarHBondContact O-N 3.08Å; F46-L72 HydrophobicContact CB-CD1 3.95Å; F46-L72 HydrophobicContact CD2-CB 3.57Å; F46-L72 HydrophobicContact CD2-CD1 4.08Å; F46-L72 HydrophobicContact CE2-CB 3.89Å; F46-L72 WeakPolarHBondContact CE2-O 2.85Å; F46-L72 HydrophobicContact CG-CB 4.47Å; F46-L72 HydrophobicContact CG-CD1 4.46Å
47P98.1Very high92.7Very high113 Ų11384.2 Ų84.273%0.73449%0.49SS*.SBendtrans-82.2-5-169.133.1-37.3000114.6
48F98.4Very high93.2Very high136 Ų13682.5 Ų82.560%0.59648%0.478SS*.  trans-102.9123.9-177.5-43.9-79.8000110.6F46 M68 L72F46-F48 VanDerWaalsContact C-N 3.33Å; F46-F48 PolarHBondContact O-N 3.08Å; F48-M68 HydrophobicContact CB-CG 4.43Å; F48-M68 HydrophobicContact CB-SD 4.17Å; F48-M68 WeakPolarHBondContact O-CG 3.28Å; F48-L72 HydrophobicContact CB-CD1 3.95Å; F48-L72 HydrophobicContact CD2-CD1 3.91Å; F48-L72 HydrophobicContact CD2-CD2 3.97Å; F48-L72 HydrophobicContact CG-CD1 4.43Å
49H97.8Very high94Very high119 Ų11987.6 Ų87.655%0.55150%0.5SS*.  trans-93.7-46.9-173.1-177.5-88.2000113.3E65 M68H49-E65 IonicContact NE2-OE2 3.79Å; H49-E65 WeakPolarHBondContact O-CA 3.34Å; H49-M68 VanDerWaalsContact O-CB 3.28Å; H49-M68 WeakPolarHBondContact O-CB 3.06Å; H49-M68 WeakPolarHBondContact O-CG 3.22Å
50S98.3Very high94.7Very high69 Ų6989.1 Ų89.148%0.48349%0.488SS..  trans-161.2162-176.352.10000110.7F63 M68S50-F63 WeakPolarHBondContact CA-O 3.48Å; S50-F63 WeakPolarHBondContact CB-O 3.42Å; S50-M68 VanDerWaalsContact C-CE 3.41Å
51C98.1Very high95.2Very high30 Ų3087.4 Ų87.420%0.20347%0.472CS..EExtended strand (participates in β ladder)trans-151.3160.2171.568.80000112.1F53 T62 F63 M68C51-F53 HydrophobicContact CB-CZ 4.4Å; C51-F53 WeakPolarHBondContact SG-CE2 3.34Å; C51-F53 WeakPolarHBondContact SG-CZ 3.28Å; C51-T62 WeakPolarHBondContact O-CA 3.38Å; C51-F63 PolarHBondContact N-O 3.18Å; C51-F63 PolarHBondContact O-N 3.33Å; C51-M68 HydrophobicContact CB-CE 3.75Å; C51-M68 WeakPolarHBondContact SG-CE 3.24Å
52S97.6Very high95.5Very high68 Ų6887.7 Ų87.748%0.47647%0.472SS..EExtended strand (participates in β ladder)trans-133.9142.5172.5-60.80000110.5I61 T62S52-I61 CarbonylContact C-O 3.37Å; S52-I61 VanDerWaalsContact CA-O 3.26Å; S52-I61 WeakPolarHBondContact CA-O 3.4Å; S52-T62 PolarHBondContact OG-OG1 2.87Å; S52-T62 VanDerWaalsContact OG-OG1 3.07Å
53F96.3Very high95.6Very high55 Ų5583.3 Ų83.324%0.24145%0.449CS..EExtended strand (participates in β ladder)trans-122.3123178-48.2-85.8000109.4C51 V55 M60 I61 F63 F297 M301C51-F53 HydrophobicContact CB-CZ 4.4Å; C51-F53 WeakPolarHBondContact SG-CE2 3.34Å; C51-F53 WeakPolarHBondContact SG-CZ 3.28Å; F53-V55 PolarHBondContact O-N 3.07Å; F53-M60 WeakPolarHBondContact O-CA 3.44Å; F53-I61 HydrophobicContact CB-CB 4.34Å; F53-I61 HydrophobicContact CD2-CB 4.16Å; F53-I61 HydrophobicContact CD2-CG2 3.94Å; F53-I61 PolarHBondContact N-O 2.84Å; F53-I61 PolarHBondContact O-N 3.44Å; F53-F63 HydrophobicContact CE2-CD2 4.26Å; F53-F63 HydrophobicContact CE2-CE2 4.07Å; F53-F63 HydrophobicContact CE2-CZ 4.22Å; F53-F297 HydrophobicContact CE1-CE1 4.19Å; F53-F297 HydrophobicContact CE1-CZ 4.42Å; F53-F297 HydrophobicContact CE2-CE1 4.4Å; F53-F297 HydrophobicContact CE2-CZ 4.39Å; F53-F297 AromaticContact CZ-CE1 3.48Å; F53-F297 HydrophobicContact CZ-CE1 3.48Å; F53-F297 VanDerWaalsContact CZ-CE1 3.48Å; F53-F297 AromaticContact CZ-CZ 3.55Å; F53-F297 HydrophobicContact CZ-CZ 3.55Å; F53-M301 HydrophobicContact CD1-SD 3.78Å; F53-M301 HydrophobicContact CD2-CG 4.19Å; F53-M301 HydrophobicContact CD2-SD 4.07Å; F53-M301 HydrophobicContact CE1-SD 3.81Å; F53-M301 HydrophobicContact CE2-CG 4.28Å; F53-M301 HydrophobicContact CE2-SD 4.09Å; F53-M301 HydrophobicContact CG-CG 4.49Å; F53-M301 HydrophobicContact CG-SD 3.91Å; F53-M301 HydrophobicContact CZ-SD 3.96Å
54Q97.3Very high95.8Very high142 Ų14285.9 Ų85.966%0.66446%0.46SS*.PPolyproline II helixtrans-78.7118.8169.9-176.358.353.900109.5G58Q54-G58 PolarHBondContact NE2-O 2.9Å
55V96.1Very high95.9Very high23 Ų2385 Ų8514%0.13945%0.453CS..PPolyproline II helixtrans-84.3134.6171.6-177.70000108.5F53 N57 G58 D59 I61 L305 W309F53-V55 PolarHBondContact O-N 3.07Å; V55-N57 PolarHBondContact O-N 3.36Å; V55-G58 PolarHBondContact O-N 3.37Å; V55-D59 VanDerWaalsContact CG2-O 3.32Å; V55-D59 WeakPolarHBondContact CG2-O 3.22Å; V55-I61 HydrophobicContact CG2-CD1 3.71Å; V55-I61 HydrophobicContact CG2-CG1 3.89Å; V55-L305 HydrophobicContact CB-CD1 4.42Å; V55-L305 HydrophobicContact CG1-CD1 3.63Å; V55-L305 HydrophobicContact CG2-CD1 3.88Å; V55-W309 HydrophobicContact CG1-CZ2 4.35Å
56K92.5Very high95.8Very high180 Ų18085.1 Ų85.178%0.78345%0.454SS*.THydrogen-bonded Turntrans-62122.7173-176.3-179.8178.3-177.70108.6G58K56-G58 PolarHBondContact O-N 2.73Å
57N83Confident95.8Very high159 Ų15984.9 Ų84.985%0.8545%0.454SS*.THydrogen-bonded Turntrans58.428.3-179.4-49.6-22000114.2V55V55-N57 PolarHBondContact O-N 3.36Å
58G87.8Confident95.8Very high25 Ų2579.7 Ų79.726%0.25842%0.42SS..SBendtrans-147.5177.2179.200000112.6Q54 V55 K56Q54-G58 PolarHBondContact NE2-O 2.9Å; V55-G58 PolarHBondContact O-N 3.37Å; K56-G58 PolarHBondContact O-N 2.73Å
59D90.8Very high95.7Very high147 Ų14775.7 Ų75.779%0.78640%0.402SS*.PPolyproline II helixtrans-67.5153180-64.7-31.3000112V55 I61V55-D59 VanDerWaalsContact CG2-O 3.32Å; V55-D59 WeakPolarHBondContact CG2-O 3.22Å; D59-I61 PolarHBondContact O-N 2.87Å
60M96.4Very high95.7Very high108 Ų10874.7 Ų74.753%0.53239%0.394SS..PPolyproline II helixtrans-70.8123.5174.4-176.5173.565.900110.2F53F53-M60 WeakPolarHBondContact O-CA 3.44Å
61I97Very high95.6Very high14 Ų1471.6 Ų71.67%0.07237%0.372CS..EExtended strand (participates in β ladder)trans-82.3127.4172.6-64.9174.3000107.7S52 F53 V55 D59 F63 M301 Q304 L305S52-I61 CarbonylContact C-O 3.37Å; S52-I61 VanDerWaalsContact CA-O 3.26Å; S52-I61 WeakPolarHBondContact CA-O 3.4Å; F53-I61 HydrophobicContact CB-CB 4.34Å; F53-I61 HydrophobicContact CD2-CB 4.16Å; F53-I61 HydrophobicContact CD2-CG2 3.94Å; F53-I61 PolarHBondContact N-O 2.84Å; F53-I61 PolarHBondContact O-N 3.44Å; V55-I61 HydrophobicContact CG2-CD1 3.71Å; V55-I61 HydrophobicContact CG2-CG1 3.89Å; D59-I61 PolarHBondContact O-N 2.87Å; I61-F63 HydrophobicContact CG2-CD1 4.41Å; I61-F63 HydrophobicContact CG2-CE1 3.91Å; I61-M301 HydrophobicContact CD1-CG 4.49Å; I61-Q304 HydrophobicContact CD1-CB 4.46Å; I61-Q304 HydrophobicContact CG2-CB 4.14Å; I61-L305 HydrophobicContact CD1-CB 3.86Å; I61-L305 HydrophobicContact CD1-CD1 4.3Å
62T97.7Very high95.6Very high62 Ų6272.6 Ų72.638%0.3838%0.375SS..EExtended strand (participates in β ladder)trans-127.4130-179-640000111.1C51 S52C51-T62 WeakPolarHBondContact O-CA 3.38Å; S52-T62 PolarHBondContact OG-OG1 2.87Å; S52-T62 VanDerWaalsContact OG-OG1 3.07Å
63F98.4Very high95.5Very high0 Ų070.9 Ų70.90%036%0.36CS..EExtended strand (participates in β ladder)trans-101.7105.5167.5-62.8-7.5000107.9S50 C51 F53 I61 M67 M68 A71 F297 L300 M301S50-F63 WeakPolarHBondContact CA-O 3.48Å; S50-F63 WeakPolarHBondContact CB-O 3.42Å; C51-F63 PolarHBondContact N-O 3.18Å; C51-F63 PolarHBondContact O-N 3.33Å; F53-F63 HydrophobicContact CE2-CD2 4.26Å; F53-F63 HydrophobicContact CE2-CE2 4.07Å; F53-F63 HydrophobicContact CE2-CZ 4.22Å; I61-F63 HydrophobicContact CG2-CD1 4.41Å; I61-F63 HydrophobicContact CG2-CE1 3.91Å; F63-M67 HydrophobicContact CB-CB 4.08Å; F63-M67 HydrophobicContact CB-CG 4Å; F63-M67 HydrophobicContact CD1-CB 4.48Å; F63-M67 HydrophobicContact CD1-CG 3.56Å; F63-M67 HydrophobicContact CE1-CG 4.18Å; F63-M67 HydrophobicContact CG-CB 4.41Å; F63-M67 HydrophobicContact CG-CG 3.77Å; F63-M68 HydrophobicContact CB-CE 4.3Å; F63-A71 HydrophobicContact CD2-CB 4.09Å; F63-A71 HydrophobicContact CE2-CB 4.13Å; F63-F297 HydrophobicContact CD2-CD2 4.27Å; F63-F297 AromaticContact CD2-CE2 3.93Å; F63-F297 HydrophobicContact CD2-CE2 3.93Å; F63-F297 HydrophobicContact CD2-CZ 4.23Å; F63-F297 HydrophobicContact CE2-CD1 4.31Å; F63-F297 HydrophobicContact CE2-CD2 4.1Å; F63-F297 HydrophobicContact CE2-CE1 4.27Å; F63-F297 HydrophobicContact CE2-CE2 4.04Å; F63-F297 HydrophobicContact CE2-CG 4.23Å; F63-F297 HydrophobicContact CE2-CZ 4.15Å; F63-L300 HydrophobicContact CE1-CB 4.22Å; F63-L300 HydrophobicContact CE2-CB 4.29Å; F63-L300 HydrophobicContact CZ-CB 3.65Å; F63-M301 HydrophobicContact CZ-CB 4.05Å
64D97.9Very high95.3Very high91 Ų9173.1 Ų73.149%0.48737%0.367SS..  trans-67.7-179.8166.666.720000111.2T66 M67 M68D64-T66 VanDerWaalsContact C-N 3.26Å; D64-T66 PolarHBondContact O-N 3.03Å; D64-T66 PolarHBondContact OD1-N 3.07Å; D64-M67 PolarHBondContact O-N 3.44Å; D64-M67 WeakPolarHBondContact OD1-CB 2.95Å; D64-M67 PolarHBondContact OD1-N 2.85Å; D64-M68 WeakPolarHBondContact O-CB 3.26Å; D64-M68 PolarHBondContact O-N 3.42Å
65E97.8Very high95Very high87 Ų8766.7 Ų66.741%0.40734%0.338SS..Hα-helixtrans-56.7-39.2-178.9-171.6-172.8167.100112.7H49 K69H49-E65 IonicContact NE2-OE2 3.79Å; H49-E65 WeakPolarHBondContact O-CA 3.34Å; E65-K69 HydrophobicContact CG-CD 4.43Å; E65-K69 WeakPolarHBondContact O-CB 3.12Å; E65-K69 VanDerWaalsContact O-CG 3.25Å; E65-K69 WeakPolarHBondContact O-CG 3.4Å; E65-K69 PolarHBondContact O-N 2.66Å; E65-K69 VanDerWaalsContact OE1-CE 3.24Å; E65-K69 WeakPolarHBondContact OE1-CE 3.45Å; E65-K69 IonicContact OE1-NZ 3.87Å; E65-K69 PolarHBondContact OE1-NZ 2.78Å
66T96.8Very high94.8Very high108 Ų10866 Ų6666%0.66333%0.334SS*.Hα-helixtrans-69.6-47-178.5-60.20000110.7D64 K69 R70D64-T66 VanDerWaalsContact C-N 3.26Å; D64-T66 PolarHBondContact O-N 3.03Å; D64-T66 PolarHBondContact OD1-N 3.07Å; T66-K69 PolarHBondContact O-N 2.79Å; T66-R70 PolarHBondContact O-N 2.78Å
67M97.3Very high94.9Very high46 Ų4657.5 Ų57.523%0.22730%0.298CS..Hα-helixtrans-66.2-39.2177.7-170.463.167.300111.3F63 D64 R70 A71 L300F63-M67 HydrophobicContact CB-CB 4.08Å; F63-M67 HydrophobicContact CB-CG 4Å; F63-M67 HydrophobicContact CD1-CB 4.48Å; F63-M67 HydrophobicContact CD1-CG 3.56Å; F63-M67 HydrophobicContact CE1-CG 4.18Å; F63-M67 HydrophobicContact CG-CB 4.41Å; F63-M67 HydrophobicContact CG-CG 3.77Å; D64-M67 PolarHBondContact O-N 3.44Å; D64-M67 WeakPolarHBondContact OD1-CB 2.95Å; D64-M67 PolarHBondContact OD1-N 2.85Å; M67-R70 WeakPolarHBondContact O-CB 3.32Å; M67-R70 PolarHBondContact O-N 3.17Å; M67-A71 VanDerWaalsContact O-CB 3.3Å; M67-A71 WeakPolarHBondContact O-CB 3.37Å; M67-A71 PolarHBondContact O-N 2.82Å; M67-L300 HydrophobicContact SD-CD1 3.88Å; M67-L300 HydrophobicContact SD-CD2 3.91Å; M67-L300 HydrophobicContact SD-CG 4.43Å
68M98.3Very high95.5Very high4 Ų451.3 Ų51.32%0.0227%0.267CS..Hα-helixtrans-62.8-45.4177.6-177.758.874.600111.4F48 H49 S50 C51 F63 D64 R70 A71 L72 F297F48-M68 HydrophobicContact CB-CG 4.43Å; F48-M68 HydrophobicContact CB-SD 4.17Å; F48-M68 WeakPolarHBondContact O-CG 3.28Å; H49-M68 VanDerWaalsContact O-CB 3.28Å; H49-M68 WeakPolarHBondContact O-CB 3.06Å; H49-M68 WeakPolarHBondContact O-CG 3.22Å; S50-M68 VanDerWaalsContact C-CE 3.41Å; C51-M68 HydrophobicContact CB-CE 3.75Å; C51-M68 WeakPolarHBondContact SG-CE 3.24Å; F63-M68 HydrophobicContact CB-CE 4.3Å; D64-M68 WeakPolarHBondContact O-CB 3.26Å; D64-M68 PolarHBondContact O-N 3.42Å; M68-R70 VanDerWaalsContact C-N 3.25Å; M68-R70 PolarHBondContact O-N 2.88Å; M68-A71 PolarHBondContact O-N 3.49Å; M68-A71 VanDerWaalsContact O-N 3.08Å; M68-L72 HydrophobicContact CG-CD1 3.84Å; M68-L72 HydrophobicContact CG-CG 4.38Å; M68-L72 VanDerWaalsContact O-CG 3.31Å; M68-L72 WeakPolarHBondContact O-CG 3.49Å; M68-L72 PolarHBondContact O-N 2.78Å; M68-L72 HydrophobicContact SD-CD1 3.76Å; M68-L72 HydrophobicContact SD-CD2 4.21Å; M68-L72 HydrophobicContact SD-CG 3.84Å; M68-F297 HydrophobicContact CE-CE2 3.87Å; M68-F297 HydrophobicContact SD-CD2 4.27Å; M68-F297 HydrophobicContact SD-CE2 3.77Å
69K97.7Very high95.9Very high53 Ų5350.2 Ų50.223%0.2326%0.256CS..Hα-helixtrans-56.5-40.4174.1-75.7173.9-1731750112.1P43 N44 E65 T66 Q73P43-K69 HydrophobicContact CB-CB 3.91Å; P43-K69 HydrophobicContact CB-CG 4.04Å; P43-K69 HydrophobicContact CG-CB 4.31Å; P43-K69 HydrophobicContact CG-CG 4.48Å; N44-K69 WeakPolarHBondContact OD1-CE 3.41Å; N44-K69 PolarHBondContact OD1-NZ 3.47Å; E65-K69 HydrophobicContact CG-CD 4.43Å; E65-K69 WeakPolarHBondContact O-CB 3.12Å; E65-K69 VanDerWaalsContact O-CG 3.25Å; E65-K69 WeakPolarHBondContact O-CG 3.4Å; E65-K69 PolarHBondContact O-N 2.66Å; E65-K69 VanDerWaalsContact OE1-CE 3.24Å; E65-K69 WeakPolarHBondContact OE1-CE 3.45Å; E65-K69 IonicContact OE1-NZ 3.87Å; E65-K69 PolarHBondContact OE1-NZ 2.78Å; T66-K69 PolarHBondContact O-N 2.79Å; K69-Q73 WeakPolarHBondContact O-CB 3.5Å; K69-Q73 PolarHBondContact O-N 3.14Å
70R96Very high96.2Very high98 Ų9843.3 Ų43.337%0.3722%0.219SC..Hα-helixtrans-67.9-44173.9-176.3-176.4177.6-151-4112.1T66 M67 M68 L72 Q73 E82 L300T66-R70 PolarHBondContact O-N 2.78Å; M67-R70 WeakPolarHBondContact O-CB 3.32Å; M67-R70 PolarHBondContact O-N 3.17Å; M68-R70 VanDerWaalsContact C-N 3.25Å; M68-R70 PolarHBondContact O-N 2.88Å; R70-L72 PolarHBondContact O-N 2.94Å; R70-Q73 PolarHBondContact O-N 2.77Å; R70-Q73 VanDerWaalsContact O-N 3.16Å; R70-E82 IonicContact CZ-OE1 2.76Å; R70-E82 IonicContact CZ-OE2 2.87Å; R70-E82 IonicContact NH1-OE1 2.65Å; R70-E82 PolarHBondContact NH1-OE1 2.84Å; R70-E82 IonicContact NH2-OE1 2.66Å; R70-E82 PolarHBondContact NH2-OE1 2.86Å; R70-E82 IonicContact NH2-OE2 3.11Å; R70-E82 PolarHBondContact NH2-OE2 2.81Å; R70-L300 HydrophobicContact CG-CD1 4.34Å
71A97.6Very high96.1Very high3 Ų341.1 Ų41.13%0.02521%0.213CC..Hα-helixtrans-62.9-30.1-176.800000113.3F63 M67 M68 T296 F297 L300F63-A71 HydrophobicContact CD2-CB 4.09Å; F63-A71 HydrophobicContact CE2-CB 4.13Å; M67-A71 VanDerWaalsContact O-CB 3.3Å; M67-A71 WeakPolarHBondContact O-CB 3.37Å; M67-A71 PolarHBondContact O-N 2.82Å; M68-A71 PolarHBondContact O-N 3.49Å; M68-A71 VanDerWaalsContact O-N 3.08Å; A71-T296 WeakPolarHBondContact O-CB 3.5Å; A71-F297 HydrophobicContact CB-CB 4.16Å; A71-F297 HydrophobicContact CB-CD2 3.62Å; A71-F297 HydrophobicContact CB-CE2 4.45Å; A71-F297 HydrophobicContact CB-CG 4.21Å; A71-F297 WeakPolarHBondContact O-CB 3.48Å; A71-F297 PolarHBondContact O-N 3.16Å; A71-F297 VanDerWaalsContact O-N 3.15Å; A71-L300 HydrophobicContact CB-CD1 3.66Å
72L97.8Very high96.1Very high52 Ų5242.8 Ų42.827%0.27222%0.22SC..THydrogen-bonded Turntrans-92.9-4.5179.3-59.8171.2000113.6F46 F48 M68 R70 F297F46-L72 HydrophobicContact CB-CD1 3.95Å; F46-L72 HydrophobicContact CD2-CB 3.57Å; F46-L72 HydrophobicContact CD2-CD1 4.08Å; F46-L72 HydrophobicContact CE2-CB 3.89Å; F46-L72 WeakPolarHBondContact CE2-O 2.85Å; F46-L72 HydrophobicContact CG-CB 4.47Å; F46-L72 HydrophobicContact CG-CD1 4.46Å; F48-L72 HydrophobicContact CB-CD1 3.95Å; F48-L72 HydrophobicContact CD2-CD1 3.91Å; F48-L72 HydrophobicContact CD2-CD2 3.97Å; F48-L72 HydrophobicContact CG-CD1 4.43Å; M68-L72 HydrophobicContact CG-CD1 3.84Å; M68-L72 HydrophobicContact CG-CG 4.38Å; M68-L72 VanDerWaalsContact O-CG 3.31Å; M68-L72 WeakPolarHBondContact O-CG 3.49Å; M68-L72 PolarHBondContact O-N 2.78Å; M68-L72 HydrophobicContact SD-CD1 3.76Å; M68-L72 HydrophobicContact SD-CD2 4.21Å; M68-L72 HydrophobicContact SD-CG 3.84Å; R70-L72 PolarHBondContact O-N 2.94Å; L72-F297 HydrophobicContact CD2-CD2 4.29Å
73Q95.1Very high96.1Very high32 Ų3239.9 Ų39.915%0.1520%0.202CC..SBendtrans-96.2161.1-177.4-172.456.2-92.700112.1P41 K69 R70 T296P41-Q73 PolarHBondContact O-NE2 3.1Å; K69-Q73 WeakPolarHBondContact O-CB 3.5Å; K69-Q73 PolarHBondContact O-N 3.14Å; R70-Q73 PolarHBondContact O-N 2.77Å; R70-Q73 VanDerWaalsContact O-N 3.16Å; Q73-T296 PolarHBondContact O-OG1 3.38Å
74Y91.8Very high96.1Very high101 Ų10140.7 Ų40.740%0.39621%0.207SC..  trans-53.9140.9167.6-66.3-58.4000112.4P41 M292 H293P41-Y74 HydrophobicContact CG-CE2 4.47Å; Y74-M292 HydrophobicContact CD1-CE 4.47Å; Y74-M292 HydrophobicContact CD1-SD 4.4Å; Y74-M292 HydrophobicContact CE1-CE 3.63Å; Y74-M292 HydrophobicContact CE1-SD 3.82Å; Y74-H293 VanDerWaalsContact CA-NE2 3.31Å; Y74-H293 WeakPolarHBondContact CA-NE2 3.22Å; Y74-H293 AromaticContact CD1-NE2 3.5Å; Y74-H293 WeakPolarHBondContact CD1-NE2 3.35Å
75S91Very high96Very high8 Ų840.8 Ų40.86%0.05621%0.211CC..  trans-129.4179.917562.50000112.4H293 T296S75-H293 PolarHBondContact N-CD2 3.48Å; S75-H293 PolarHBondContact N-NE2 3.22Å; S75-H293 PolarHBondContact O-CD2 3.21Å; S75-H293 PolarHBondContact OG-ND1 3.04Å; S75-T296 VanDerWaalsContact CB-OG1 3.31Å; S75-T296 WeakPolarHBondContact CB-OG1 3.28Å; S75-T296 PolarHBondContact OG-OG1 2.91Å
76A91.5Very high96.1Very high7 Ų737.6 Ų37.66%0.05820%0.195CC..  trans-63.6141.3-179.700000111.7Q27 S78 G79 H293Q27-A76 VanDerWaalsContact NE2-N 3.2Å; A76-S78 VanDerWaalsContact C-N 3.25Å; A76-S78 PolarHBondContact O-N 3.27Å; A76-G79 PolarHBondContact O-N 3.03Å; A76-H293 WeakPolarHBondContact O-CB 3.3Å
77S94.6Very high96.1Very high3 Ų332.4 Ų32.42%0.02116%0.163CC..THydrogen-bonded Turntrans-60.9-31.8-178.1-63.20000114.3G79 Q288 M292S77-G79 PolarHBondContact O-N 3.06Å; S77-Q288 WeakPolarHBondContact OG-CG 3.47Å; S77-M292 WeakPolarHBondContact CA-O 3.45Å; S77-M292 WeakPolarHBondContact CB-O 3.22Å; S77-M292 PolarHBondContact OG-O 3.18Å
78S95.5Very high96.1Very high29 Ų2933.4 Ų33.420%0.20317%0.166CC..THydrogen-bonded Turntrans-75.6-10.8176.254.10000113.8A76 L84 V112A76-S78 VanDerWaalsContact C-N 3.25Å; A76-S78 PolarHBondContact O-N 3.27Å; S78-L84 WeakPolarHBondContact O-CD2 3.46Å; S78-V112 PolarHBondContact O-N 3.24Å
79G96.9Very high96.1Very high2 Ų235.2 Ų35.22%0.02118%0.182CC..  trans108.5166.2-171.100000113.3A76 S77 L84A76-G79 PolarHBondContact O-N 3.03Å; S77-G79 PolarHBondContact O-N 3.06Å; G79-L84 WeakPolarHBondContact O-CD1 3.36Å
80I96.7Very high96.1Very high1 Ų132.7 Ų32.71%0.00517%0.171CC..  trans-69.1142.5-177.464.9177000111.6E82 L83 L84 T296 Q299 L300I80-E82 HydrophobicContact CD1-CG 3.93Å; I80-E82 HydrophobicContact CG1-CG 4.2Å; I80-E82 PolarHBondContact O-N 3.06Å; I80-L83 HydrophobicContact CD1-CB 4.12Å; I80-L83 HydrophobicContact CG1-CB 3.58Å; I80-L83 PolarHBondContact O-N 3.11Å; I80-L84 PolarHBondContact O-N 3.12Å; I80-L84 VanDerWaalsContact O-N 3.09Å; I80-T296 HydrophobicContact CG2-CG2 4.02Å; I80-Q299 HydrophobicContact CD1-CB 3.82Å; I80-Q299 HydrophobicContact CG1-CB 4.09Å; I80-L300 HydrophobicContact CD1-CD2 3.68Å; I80-L300 HydrophobicContact CD1-CG 3.97Å
81P95.4Very high96.1Very high63 Ų6328 Ų2841%0.40915%0.153SC..Hα-helixtrans-58.3-40.1-171.6-26.835000115L84 T85P81-L84 PolarHBondContact O-N 2.9Å; P81-T85 WeakPolarHBondContact O-CB 3.36Å; P81-T85 PolarHBondContact O-N 3.05Å; P81-T85 PolarHBondContact O-OG1 2.89Å
82E96.4Very high96.1Very high49 Ų4932 Ų3223%0.22917%0.17CC..Hα-helixtrans-66.4-41.6-178.757.2-92.3-127.600112.1R70 I80 T85 W86 S303 H307R70-E82 IonicContact CZ-OE1 2.76Å; R70-E82 IonicContact CZ-OE2 2.87Å; R70-E82 IonicContact NH1-OE1 2.65Å; R70-E82 PolarHBondContact NH1-OE1 2.84Å; R70-E82 IonicContact NH2-OE1 2.66Å; R70-E82 PolarHBondContact NH2-OE1 2.86Å; R70-E82 IonicContact NH2-OE2 3.11Å; R70-E82 PolarHBondContact NH2-OE2 2.81Å; I80-E82 HydrophobicContact CD1-CG 3.93Å; I80-E82 HydrophobicContact CG1-CG 4.2Å; I80-E82 PolarHBondContact O-N 3.06Å; E82-T85 PolarHBondContact O-N 3.35Å; E82-W86 PolarHBondContact O-N 2.65Å; E82-S303 WeakPolarHBondContact CG-OG 3.36Å; E82-H307 PolarHBondContact O-CE1 3.22Å; E82-H307 VanDerWaalsContact O-CE1 3.32Å
83L98.2Very high96.1Very high0 Ų036.5 Ų36.50%018%0.184CC..Hα-helixtrans-68.9-43.3178.2-176.160.6000110.6I80 T85 W86 M87 V112 Q299 V302 L306I80-L83 HydrophobicContact CD1-CB 4.12Å; I80-L83 HydrophobicContact CG1-CB 3.58Å; I80-L83 PolarHBondContact O-N 3.11Å; L83-T85 VanDerWaalsContact C-N 3.31Å; L83-T85 PolarHBondContact O-N 2.74Å; L83-W86 PolarHBondContact O-N 3.46Å; L83-M87 HydrophobicContact CD1-CE 4.45Å; L83-M87 HydrophobicContact CD1-CG 4.26Å; L83-M87 HydrophobicContact CD1-SD 4.27Å; L83-M87 HydrophobicContact CD2-CE 4.32Å; L83-M87 HydrophobicContact CG-CE 3.75Å; L83-M87 HydrophobicContact CG-CG 4.5Å; L83-M87 HydrophobicContact CG-SD 4.16Å; L83-M87 WeakPolarHBondContact O-CG 3.33Å; L83-M87 PolarHBondContact O-N 3.03Å; L83-V112 HydrophobicContact CD2-CG2 4.28Å; L83-Q299 HydrophobicContact CD2-CB 4.02Å; L83-Q299 HydrophobicContact CD2-CG 3.97Å; L83-V302 HydrophobicContact CD1-CG1 4.18Å; L83-L306 HydrophobicContact CD1-CD1 3.92Å
84L97.9Very high96.2Very high18 Ų1836.6 Ų36.69%0.09419%0.186CC..Hα-helixtrans-59.1-42.4174.7-78.3172.5000112.1S78 G79 I80 P81 M87 K88 M110 V112S78-L84 WeakPolarHBondContact O-CD2 3.46Å; G79-L84 WeakPolarHBondContact O-CD1 3.36Å; I80-L84 PolarHBondContact O-N 3.12Å; I80-L84 VanDerWaalsContact O-N 3.09Å; P81-L84 PolarHBondContact O-N 2.9Å; L84-M87 HydrophobicContact CD2-CE 4.24Å; L84-K88 VanDerWaalsContact O-CB 3.29Å; L84-K88 WeakPolarHBondContact O-CB 3.41Å; L84-K88 VanDerWaalsContact O-CG 3.25Å; L84-K88 WeakPolarHBondContact O-CG 3.41Å; L84-K88 PolarHBondContact O-N 3.5Å; L84-M110 HydrophobicContact CD2-CB 4.29Å; L84-V112 HydrophobicContact CD2-CG2 3.96Å; L84-V112 HydrophobicContact CG-CG2 4.33Å
85T96.6Very high96.5Very high93 Ų9332.1 Ų32.157%0.57117%0.168SC*.Hα-helixtrans-63.6-47.6178.9-60.30000110.9P81 E82 L83 K88 A89P81-T85 WeakPolarHBondContact O-CB 3.36Å; P81-T85 PolarHBondContact O-N 3.05Å; P81-T85 PolarHBondContact O-OG1 2.89Å; E82-T85 PolarHBondContact O-N 3.35Å; L83-T85 VanDerWaalsContact C-N 3.31Å; L83-T85 PolarHBondContact O-N 2.74Å; T85-K88 PolarHBondContact O-N 3.4Å; T85-A89 PolarHBondContact O-N 3.39Å
86W98.4Very high96.7Very high19 Ų1937.7 Ų37.77%0.07220%0.197CC..Hα-helixtrans-61.4-47.2178.1-168.8105.5000111.8E82 L83 K88 A89 L90 L306 H307 Q311 F314E82-W86 PolarHBondContact O-N 2.65Å; L83-W86 PolarHBondContact O-N 3.46Å; W86-K88 PolarHBondContact O-N 3.1Å; W86-A89 WeakPolarHBondContact O-CB 3.5Å; W86-A89 PolarHBondContact O-N 2.87Å; W86-L90 HydrophobicContact CE3-CB 4.2Å; W86-L90 HydrophobicContact CH2-CB 4.33Å; W86-L90 HydrophobicContact CH2-CD1 4.14Å; W86-L90 HydrophobicContact CH2-CD2 3.92Å; W86-L90 HydrophobicContact CH2-CG 4.34Å; W86-L90 HydrophobicContact CZ3-CB 3.81Å; W86-L90 HydrophobicContact CZ3-CD1 4.39Å; W86-L90 HydrophobicContact CZ3-CD2 3.53Å; W86-L90 HydrophobicContact CZ3-CG 4.09Å; W86-L90 PolarHBondContact O-N 2.92Å; W86-L306 HydrophobicContact CD2-CB 3.94Å; W86-L306 HydrophobicContact CD2-CD1 4.3Å; W86-L306 HydrophobicContact CE3-CB 4.3Å; W86-L306 HydrophobicContact CE3-CD1 3.83Å; W86-L306 HydrophobicContact CG-CB 4.4Å; W86-L306 HydrophobicContact CH2-CB 4.33Å; W86-L306 HydrophobicContact CH2-CD1 4.29Å; W86-L306 HydrophobicContact CH2-CD2 3.85Å; W86-L306 HydrophobicContact CH2-CG 4.38Å; W86-L306 HydrophobicContact CZ2-CB 3.93Å; W86-L306 HydrophobicContact CZ2-CD2 4.1Å; W86-L306 HydrophobicContact CZ2-CG 4.45Å; W86-L306 HydrophobicContact CZ3-CB 4.47Å; W86-L306 HydrophobicContact CZ3-CD1 3.82Å; W86-L306 HydrophobicContact CZ3-CD2 4.2Å; W86-L306 HydrophobicContact CZ3-CG 4.39Å; W86-L306 PolarHBondContact NE1-O 3.28Å; W86-H307 AromaticContact CD1-CD2 3.89Å; W86-H307 AromaticContact CD1-CE1 3.79Å; W86-H307 AromaticContact CD1-CG 3.94Å; W86-H307 AromaticContact CD1-ND1 3.86Å; W86-H307 AromaticContact CD1-NE2 3.8Å; W86-H307 AromaticContact CG-CE1 3.98Å; W86-Q311 HydrophobicContact CZ2-CG 4.37Å; W86-F314 HydrophobicContact CH2-CB 3.98Å; W86-F314 AromaticContact CH2-CD1 3.88Å; W86-F314 HydrophobicContact CH2-CD1 3.88Å; W86-F314 HydrophobicContact CH2-CD2 4.24Å; W86-F314 HydrophobicContact CH2-CE1 4.45Å; W86-F314 AromaticContact CH2-CG 3.75Å; W86-F314 HydrophobicContact CH2-CG 3.75Å; W86-F314 HydrophobicContact CZ2-CB 4.04Å; W86-F314 HydrophobicContact CZ2-CG 4.33Å
87M97.9Very high96.9Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-67.8-36.8179.6-65.6-176.6-59.400112.2L83 L84 A89 L90 Q91 M110 V112 F260 F272L83-M87 HydrophobicContact CD1-CE 4.45Å; L83-M87 HydrophobicContact CD1-CG 4.26Å; L83-M87 HydrophobicContact CD1-SD 4.27Å; L83-M87 HydrophobicContact CD2-CE 4.32Å; L83-M87 HydrophobicContact CG-CE 3.75Å; L83-M87 HydrophobicContact CG-CG 4.5Å; L83-M87 HydrophobicContact CG-SD 4.16Å; L83-M87 WeakPolarHBondContact O-CG 3.33Å; L83-M87 PolarHBondContact O-N 3.03Å; L84-M87 HydrophobicContact CD2-CE 4.24Å; M87-A89 VanDerWaalsContact C-N 3.28Å; M87-A89 PolarHBondContact O-N 3.45Å; M87-L90 WeakPolarHBondContact O-CB 3.36Å; M87-L90 PolarHBondContact O-N 3.15Å; M87-L90 VanDerWaalsContact O-N 3.15Å; M87-Q91 WeakPolarHBondContact O-CG 3.24Å; M87-Q91 PolarHBondContact O-N 3.09Å; M87-M110 HydrophobicContact CB-CE 3.69Å; M87-V112 HydrophobicContact CE-CG2 3.44Å; M87-V112 VanDerWaalsContact CE-CG2 3.44Å; M87-F260 HydrophobicContact CG-CZ 4.4Å; M87-F260 HydrophobicContact SD-CE2 3.88Å; M87-F260 HydrophobicContact SD-CZ 4.15Å; M87-F272 HydrophobicContact CE-CB 4.46Å; M87-F272 HydrophobicContact SD-CB 4.38Å; M87-F272 HydrophobicContact SD-CD1 3.52Å; M87-F272 VanDerWaalsContact SD-CD1 3.52Å; M87-F272 HydrophobicContact SD-CE1 3.85Å; M87-F272 HydrophobicContact SD-CG 3.95Å; M87-F272 HydrophobicContact SD-CZ 4.5Å
88K96.9Very high96.9Very high66 Ų6640.6 Ų40.629%0.28722%0.216SC..Hα-helixtrans-60.4-39.5172.5-79.4178.2177.9-171.60111.6L84 T85 W86 K92 M108 D109 M110L84-K88 VanDerWaalsContact O-CB 3.29Å; L84-K88 WeakPolarHBondContact O-CB 3.41Å; L84-K88 VanDerWaalsContact O-CG 3.25Å; L84-K88 WeakPolarHBondContact O-CG 3.41Å; L84-K88 PolarHBondContact O-N 3.5Å; T85-K88 PolarHBondContact O-N 3.4Å; W86-K88 PolarHBondContact O-N 3.1Å; K88-K92 WeakPolarHBondContact O-CG 3.35Å; K88-K92 PolarHBondContact O-N 3.31Å; K88-K92 VanDerWaalsContact O-N 3.15Å; K88-M108 HydrophobicContact CG-CE 4.47Å; K88-D109 WeakPolarHBondContact CE-OD1 3.45Å; K88-D109 IonicContact NZ-OD1 3.93Å; K88-D109 PolarHBondContact NZ-OD1 3.23Å; K88-M110 HydrophobicContact CB-SD 4.1Å; K88-M110 HydrophobicContact CG-CB 4.43Å; K88-M110 HydrophobicContact CG-CG 4.06Å; K88-M110 HydrophobicContact CG-SD 3.36Å; K88-M110 WeakPolarHBondContact CG-SD 3.27Å
89A97.5Very high96.7Very high42 Ų4239.4 Ų39.435%0.34721%0.207SC..Hα-helixtrans-66.1-41.3174.100000111.6T85 W86 M87 K92 Y93T85-A89 PolarHBondContact O-N 3.39Å; W86-A89 WeakPolarHBondContact O-CB 3.5Å; W86-A89 PolarHBondContact O-N 2.87Å; M87-A89 VanDerWaalsContact C-N 3.28Å; M87-A89 PolarHBondContact O-N 3.45Å; A89-K92 PolarHBondContact O-N 2.92Å; A89-Y93 WeakPolarHBondContact O-CB 3.4Å; A89-Y93 PolarHBondContact O-N 2.91Å
90L97.6Very high96.3Very high0 Ų039.7 Ų39.70%021%0.21CC..Hα-helixtrans-61.4-47.8175.2-175.570.6000111.9W86 M87 K92 Y93 L94 F234 F314W86-L90 HydrophobicContact CE3-CB 4.2Å; W86-L90 HydrophobicContact CH2-CB 4.33Å; W86-L90 HydrophobicContact CH2-CD1 4.14Å; W86-L90 HydrophobicContact CH2-CD2 3.92Å; W86-L90 HydrophobicContact CH2-CG 4.34Å; W86-L90 HydrophobicContact CZ3-CB 3.81Å; W86-L90 HydrophobicContact CZ3-CD1 4.39Å; W86-L90 HydrophobicContact CZ3-CD2 3.53Å; W86-L90 HydrophobicContact CZ3-CG 4.09Å; W86-L90 PolarHBondContact O-N 2.92Å; M87-L90 WeakPolarHBondContact O-CB 3.36Å; M87-L90 PolarHBondContact O-N 3.15Å; M87-L90 VanDerWaalsContact O-N 3.15Å; L90-K92 VanDerWaalsContact C-N 3.29Å; L90-K92 PolarHBondContact O-N 3.32Å; L90-Y93 PolarHBondContact O-N 3.24Å; L90-Y93 VanDerWaalsContact O-N 3.11Å; L90-L94 HydrophobicContact CD1-CD1 3.74Å; L90-L94 HydrophobicContact CD1-CG 3.96Å; L90-L94 HydrophobicContact CD2-CD1 4.06Å; L90-L94 HydrophobicContact CG-CD1 3.64Å; L90-L94 HydrophobicContact CG-CG 4.16Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 2.79Å; L90-F234 HydrophobicContact CD2-CZ 4.17Å; L90-F314 HydrophobicContact CD1-CD1 4.07Å; L90-F314 HydrophobicContact CD1-CE1 4.07Å; L90-F314 HydrophobicContact CD2-CD1 4.32Å; L90-F314 HydrophobicContact CD2-CE1 3.73Å; L90-F314 HydrophobicContact CD2-CZ 4.21Å
91Q97.6Very high95.5Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-60.3-39.6178.5-66.4-5787.800111.7M87 H95 N96 M108 M110 D258 F272 T274M87-Q91 WeakPolarHBondContact O-CG 3.24Å; M87-Q91 PolarHBondContact O-N 3.09Å; Q91-H95 VanDerWaalsContact O-CB 3.32Å; Q91-H95 WeakPolarHBondContact O-CB 3.37Å; Q91-H95 PolarHBondContact O-N 2.85Å; Q91-N96 PolarHBondContact O-N 2.83Å; Q91-M108 HydrophobicContact CB-SD 4.31Å; Q91-M110 HydrophobicContact CB-SD 4.37Å; Q91-M110 HydrophobicContact CG-CE 3.57Å; Q91-M110 HydrophobicContact CG-SD 3.65Å; Q91-D258 PolarHBondContact NE2-OD2 3.47Å; Q91-F272 HydrophobicContact CG-CE2 4.33Å; Q91-T274 HydrophobicContact CG-CG2 4.42Å; Q91-T274 PolarHBondContact NE2-OG1 3.39Å; Q91-T274 VanDerWaalsContact NE2-OG1 3.11Å
92K96.9Very high94.9Very high86 Ų8644.3 Ų44.337%0.37423%0.233SC..Hα-helixtrans-65.2-41.5174.7-73.1178.3-179.5-168.40111.9K88 A89 L90 N96 A100 N101 M108K88-K92 WeakPolarHBondContact O-CG 3.35Å; K88-K92 PolarHBondContact O-N 3.31Å; K88-K92 VanDerWaalsContact O-N 3.15Å; A89-K92 PolarHBondContact O-N 2.92Å; L90-K92 VanDerWaalsContact C-N 3.29Å; L90-K92 PolarHBondContact O-N 3.32Å; K92-N96 WeakPolarHBondContact O-CA 3.48Å; K92-N96 PolarHBondContact O-N 3.04Å; K92-A100 HydrophobicContact CG-CB 4.5Å; K92-N101 PolarHBondContact NZ-OD1 3.36Å; K92-M108 HydrophobicContact CG-CE 4.37Å
93Y97.2Very high93.8Very high147 Ų14745.9 Ų45.958%0.57625%0.254SS*.Hα-helixtrans-66.1-46.6178.5178.6-97.1000112.3A89 L90 L315A89-Y93 WeakPolarHBondContact O-CB 3.4Å; A89-Y93 PolarHBondContact O-N 2.91Å; L90-Y93 PolarHBondContact O-N 3.24Å; L90-Y93 VanDerWaalsContact O-N 3.11Å; Y93-L315 HydrophobicContact CE1-CD1 3.83Å
94L97.2Very high92.5Very high34 Ų3454.8 Ų54.818%0.17830%0.296CS..Hα-helixtrans-79.4-34.4-175.3-66.3176.9000113.8L90 Y233 F234 W241 L315L90-L94 HydrophobicContact CD1-CD1 3.74Å; L90-L94 HydrophobicContact CD1-CG 3.96Å; L90-L94 HydrophobicContact CD2-CD1 4.06Å; L90-L94 HydrophobicContact CG-CD1 3.64Å; L90-L94 HydrophobicContact CG-CG 4.16Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 2.79Å; L94-Y233 HydrophobicContact CD1-CE1 4.11Å; L94-F234 HydrophobicContact CD1-CE1 3.61Å; L94-F234 HydrophobicContact CD1-CZ 3.65Å; L94-W241 HydrophobicContact CD2-CZ3 4.3Å; L94-L315 HydrophobicContact CD2-CD2 4.36Å
95H97.8Very high91.5Very high7 Ų759.3 Ų59.33%0.03232%0.315CS..Hα-helixtrans-121.2-20.6-168.8-49.9-52.1000113.5Q91 P97 Y233 T244 L246 S247Q91-H95 VanDerWaalsContact O-CB 3.32Å; Q91-H95 WeakPolarHBondContact O-CB 3.37Å; Q91-H95 PolarHBondContact O-N 2.85Å; H95-P97 HydrophobicContact CB-CG 4.05Å; H95-Y233 AromaticContact CE1-CE1 3.86Å; H95-Y233 AromaticContact CE1-CE2 3.93Å; H95-Y233 AromaticContact CE1-CZ 3.51Å; H95-Y233 PolarHBondContact CE1-OH 3.44Å; H95-T244 VanDerWaalsContact CE1-CG2 3.47Å; H95-T244 WeakPolarHBondContact CE1-CG2 3.26Å; H95-T244 WeakPolarHBondContact ND1-CG2 3.44Å; H95-T244 PolarHBondContact ND1-OG1 2.86Å; H95-L246 HydrophobicContact CB-CD2 4.37Å; H95-S247 WeakPolarHBondContact O-CA 3.5Å; H95-S247 WeakPolarHBondContact O-CB 3.37Å
96N96.4Very high90.6Very high125 Ų12555 Ų5567%0.66829%0.29SS*.  trans37.959-174.3-171.835.2000114Q91 K92Q91-N96 PolarHBondContact O-N 2.83Å; K92-N96 WeakPolarHBondContact O-CA 3.48Å; K92-N96 PolarHBondContact O-N 3.04Å
97P96.1Very high90.3Very high3 Ų358 Ų582%0.01930%0.304CS..  trans-63.2134.3-169.3-23.537.2000111.3H95 T99 A100 M108 L246H95-P97 HydrophobicContact CB-CG 4.05Å; P97-T99 PolarHBondContact O-N 3.06Å; P97-A100 WeakPolarHBondContact O-CB 3.19Å; P97-A100 PolarHBondContact O-N 3.02Å; P97-M108 HydrophobicContact CB-SD 4.35Å; P97-M108 HydrophobicContact CG-SD 3.78Å; P97-L246 HydrophobicContact CB-CD1 4.17Å; P97-L246 HydrophobicContact CB-CG 4.19Å; P97-L246 HydrophobicContact CG-CD1 4.18Å; P97-L246 HydrophobicContact CG-CD2 4.07Å; P97-L246 HydrophobicContact CG-CG 3.79Å
98P94.1Very high90.2Very high68 Ų6858.5 Ų58.544%0.44231%0.307SS..THydrogen-bonded Turntrans-58.2-23.7179-25.234.1000113.8V250P98-V250 HydrophobicContact CB-CG1 4.02Å; P98-V250 HydrophobicContact CG-CG1 3.9Å
99T90.8Very high90.2Very high4 Ų456.4 Ų56.43%0.02530%0.299CS..THydrogen-bonded Turntrans-891.7178.950.30000114.1P97 N101 S102 K105 Q107 M108 D249P97-T99 PolarHBondContact O-N 3.06Å; T99-N101 PolarHBondContact O-N 2.88Å; T99-S102 PolarHBondContact O-N 3.33Å; T99-K105 HydrophobicContact CG2-CB 4.26Å; T99-K105 WeakPolarHBondContact CG2-O 3.43Å; T99-Q107 WeakPolarHBondContact O-CA 3.11Å; T99-M108 PolarHBondContact O-N 2.7Å; T99-D249 VanDerWaalsContact CG2-O 3.25Å; T99-D249 WeakPolarHBondContact CG2-O 3.23Å
100A87.5Confident90.2Very high9 Ų954.5 Ų54.57%0.07428%0.283CS..THydrogen-bonded Turntrans-54.1-32.1-173.600000114.4K92 P97K92-A100 HydrophobicContact CG-CB 4.5Å; P97-A100 WeakPolarHBondContact O-CB 3.19Å; P97-A100 PolarHBondContact O-N 3.02Å
101N81.9Confident90.2Very high130 Ų13054.5 Ų54.570%0.69528%0.283SS*.THydrogen-bonded Turntrans-130.519.4-179.1-55.2-47.2000113.3K92 T99K92-N101 PolarHBondContact NZ-OD1 3.36Å; T99-N101 PolarHBondContact O-N 2.88Å
102S82Confident90.3Very high31 Ų3154.5 Ų54.522%0.21728%0.283CS..  trans-106.697.2-176.3-1720000111.8T99 E104 K105 Q107T99-S102 PolarHBondContact O-N 3.33Å; S102-E104 VanDerWaalsContact C-N 3.29Å; S102-E104 PolarHBondContact O-N 2.93Å; S102-K105 PolarHBondContact O-N 3.36Å; S102-K105 WeakPolarHBondContact OG-CB 3.11Å; S102-K105 PolarHBondContact OG-N 3Å; S102-Q107 VanDerWaalsContact O-CA 3.3Å; S102-Q107 WeakPolarHBondContact O-CA 3.26Å; S102-Q107 PolarHBondContact O-N 3.24Å
103A73.6Confident90.4Very high81 Ų8150.4 Ų50.467%0.66927%0.265SS*.SBendtrans-58-41.817700000112.3K105 G106A103-K105 VanDerWaalsContact C-N 3.3Å; A103-K105 PolarHBondContact O-N 3.09Å; A103-G106 PolarHBondContact O-N 3.36Å
104E71.1Confident90.4Very high187 Ų18745.4 Ų45.487%0.87425%0.249SC*.THydrogen-bonded Turntrans-68.1-26.4-178.3-62.4-177.8175.300113.6S102S102-E104 VanDerWaalsContact C-N 3.29Å; S102-E104 PolarHBondContact O-N 2.93Å
105K76.4Confident90.5Very high113 Ų11343.8 Ų43.849%0.49124%0.241SC..THydrogen-bonded Turntrans-105.526.6-178.4-60-172.4176.1-171.20113.3T99 S102 A103T99-K105 HydrophobicContact CG2-CB 4.26Å; T99-K105 WeakPolarHBondContact CG2-O 3.43Å; S102-K105 PolarHBondContact O-N 3.36Å; S102-K105 WeakPolarHBondContact OG-CB 3.11Å; S102-K105 PolarHBondContact OG-N 3Å; A103-K105 VanDerWaalsContact C-N 3.3Å; A103-K105 PolarHBondContact O-N 3.09Å
106G77.8Confident90.5Very high4 Ų444 Ų444%0.04124%0.244CC..  trans71.870.918000000111.7A103 M108A103-G106 PolarHBondContact O-N 3.36Å; G106-M108 PolarHBondContact O-N 2.87Å
107Q92.8Very high90.6Very high82 Ų8240.2 Ų40.238%0.38322%0.222SC..  trans-41.6131179.9-178.1178.725.400111.7T99 S102 D109 K277T99-Q107 WeakPolarHBondContact O-CA 3.11Å; S102-Q107 VanDerWaalsContact O-CA 3.3Å; S102-Q107 WeakPolarHBondContact O-CA 3.26Å; S102-Q107 PolarHBondContact O-N 3.24Å; Q107-D109 PolarHBondContact O-N 2.72Å; Q107-K277 WeakPolarHBondContact O-CB 3.36Å; Q107-K277 PolarHBondContact O-N 3.21Å
108M95.1Very high90.8Very high9 Ų941.4 Ų41.44%0.04423%0.227CC..EExtended strand (participates in β ladder)trans-56122.8174.5-173.6-164.378.100110K88 Q91 K92 P97 T99 G106 T274K88-M108 HydrophobicContact CG-CE 4.47Å; Q91-M108 HydrophobicContact CB-SD 4.31Å; K92-M108 HydrophobicContact CG-CE 4.37Å; P97-M108 HydrophobicContact CB-SD 4.35Å; P97-M108 HydrophobicContact CG-SD 3.78Å; T99-M108 PolarHBondContact O-N 2.7Å; G106-M108 PolarHBondContact O-N 2.87Å; M108-T274 HydrophobicContact CG-CG2 3.62Å; M108-T274 HydrophobicContact SD-CG2 3.85Å
109D96.6Very high91Very high23 Ų2338.2 Ų38.212%0.12321%0.206CC..EExtended strand (participates in β ladder)trans-127.8170.2169.8-148.8-5.9000110.4K88 Q107 T274 G275 K277 V280K88-D109 WeakPolarHBondContact CE-OD1 3.45Å; K88-D109 IonicContact NZ-OD1 3.93Å; K88-D109 PolarHBondContact NZ-OD1 3.23Å; Q107-D109 PolarHBondContact O-N 2.72Å; D109-T274 WeakPolarHBondContact O-CA 3.45Å; D109-G275 PolarHBondContact N-O 2.96Å; D109-G275 PolarHBondContact O-N 2.89Å; D109-G275 VanDerWaalsContact O-N 3.1Å; D109-K277 HydrophobicContact CB-CB 3.94Å; D109-K277 HydrophobicContact CB-CG 4.26Å; D109-K277 IonicContact OD2-NZ 3.3Å; D109-K277 PolarHBondContact OD2-NZ 2.89Å; D109-V280 HydrophobicContact CB-CB 4.26Å; D109-V280 HydrophobicContact CB-CG1 4.25Å; D109-V280 HydrophobicContact CB-CG2 4.41Å
110M97.6Very high91.3Very high2 Ų238 Ų381%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-142.5149.1-175.7-63179.768.400112.2L84 M87 K88 Q91 F272 V273 T274L84-M110 HydrophobicContact CD2-CB 4.29Å; M87-M110 HydrophobicContact CB-CE 3.69Å; K88-M110 HydrophobicContact CB-SD 4.1Å; K88-M110 HydrophobicContact CG-CB 4.43Å; K88-M110 HydrophobicContact CG-CG 4.06Å; K88-M110 HydrophobicContact CG-SD 3.36Å; K88-M110 WeakPolarHBondContact CG-SD 3.27Å; Q91-M110 HydrophobicContact CB-SD 4.37Å; Q91-M110 HydrophobicContact CG-CE 3.57Å; Q91-M110 HydrophobicContact CG-SD 3.65Å; M110-F272 HydrophobicContact CE-CD2 3.32Å; M110-F272 HydrophobicContact CE-CE2 3.57Å; M110-F272 HydrophobicContact CE-CG 4.14Å; M110-V273 WeakPolarHBondContact CA-O 3.35Å; M110-T274 HydrophobicContact CG-CG2 3.97Å
111C98.5Very high91.9Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-136.1127.6173.3-177.10000109.6F272 V273 V280 V284 I287C111-F272 CarbonylContact O-C 3.23Å; C111-F272 WeakPolarHBondContact O-CA 3.36Å; C111-F272 WeakPolarHBondContact O-CB 3.3Å; C111-V273 PolarHBondContact N-O 2.86Å; C111-V273 PolarHBondContact O-N 3.39Å; C111-V280 HydrophobicContact CB-CG1 3.94Å; C111-V284 HydrophobicContact CB-CG2 4.01Å; C111-I287 WeakPolarHBondContact SG-CD1 3.47Å
112V98.8Very high92.7Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-67.5138.6166.3-174.70000108.8S78 L83 L84 M87 I270 T294 Q299S78-V112 PolarHBondContact O-N 3.24Å; L83-V112 HydrophobicContact CD2-CG2 4.28Å; L84-V112 HydrophobicContact CD2-CG2 3.96Å; L84-V112 HydrophobicContact CG-CG2 4.33Å; M87-V112 HydrophobicContact CE-CG2 3.44Å; M87-V112 VanDerWaalsContact CE-CG2 3.44Å; V112-I270 HydrophobicContact CG1-CG2 4.18Å; V112-T294 HydrophobicContact CG1-CG2 4.24Å; V112-Q299 HydrophobicContact CG1-CG 4.26Å
113T98.8Very high93.5Very high0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-128.5161.1178.863.10000110.5G115 E118 G271 V273 I287 T294T113-G115 WeakPolarHBondContact CB-O 3.35Å; T113-G115 PolarHBondContact O-N 2.83Å; T113-G115 PolarHBondContact OG1-O 3.01Å; T113-E118 WeakPolarHBondContact CA-OE2 3.49Å; T113-E118 VanDerWaalsContact CB-OE2 3.31Å; T113-E118 WeakPolarHBondContact CB-OE2 3.29Å; T113-G271 PolarHBondContact N-O 2.8Å; T113-G271 PolarHBondContact O-N 2.91Å; T113-G271 VanDerWaalsContact O-N 3.1Å; T113-G271 PolarHBondContact OG1-O 3.29Å; T113-V273 HydrophobicContact CG2-CG2 3.94Å; T113-I287 HydrophobicContact CG2-CD1 4.29Å; T113-T294 WeakPolarHBondContact CA-OG1 3.18Å; T113-T294 PolarHBondContact O-OG1 2.94Å
114T98.5Very high94.7Very high41 Ų4128.5 Ų28.525%0.25214%0.141SC..EExtended strand (participates in β ladder)trans-76.262178.8-54.70000110E118 R269 T294T114-E118 PolarHBondContact N-OE2 3.09Å; T114-R269 CarbonylContact C-O 3.58Å; T114-R269 VanDerWaalsContact C-O 3.23Å; T114-R269 WeakPolarHBondContact CA-O 3.29Å; T114-R269 HydrophobicContact CG2-CB 3.69Å; T114-R269 HydrophobicContact CG2-CG 4.38Å; T114-T294 PolarHBondContact N-OG1 2.97Å; T114-T294 PolarHBondContact OG1-OG1 3.4Å
115G98.3Very high96Very high0 Ų023.6 Ų23.60%012%0.118CC..SBendtrans83.6158.1-163.500000112.2T113 Q117 E118 R269T113-G115 WeakPolarHBondContact CB-O 3.35Å; T113-G115 PolarHBondContact O-N 2.83Å; T113-G115 PolarHBondContact OG1-O 3.01Å; G115-Q117 VanDerWaalsContact C-N 3.27Å; G115-Q117 PolarHBondContact O-N 3.21Å; G115-E118 PolarHBondContact O-N 3.23Å; G115-R269 VanDerWaalsContact N-C 3.29Å; G115-R269 PolarHBondContact N-O 3.27Å
116S98.4Very high97.1Very high13 Ų1318.5 Ų18.59%0.09110%0.096CC..Hα-helixtrans-60.3-35.8-178.658.10000112.9E118 G119 L120 D258S116-E118 VanDerWaalsContact C-N 3.3Å; S116-E118 PolarHBondContact O-N 2.8Å; S116-G119 WeakPolarHBondContact O-CA 3.34Å; S116-G119 PolarHBondContact O-N 2.92Å; S116-G119 VanDerWaalsContact O-N 3.08Å; S116-L120 PolarHBondContact O-N 2.88Å; S116-D258 WeakPolarHBondContact CB-O 3.19Å
117Q98.6Very high98Very high44 Ų4418.3 Ų18.321%0.2069%0.094CC..Hα-helixtrans-60-35179.6-170.365.338.300113.3G115 L120 C121G115-Q117 VanDerWaalsContact C-N 3.27Å; G115-Q117 PolarHBondContact O-N 3.21Å; Q117-L120 PolarHBondContact O-N 3Å; Q117-C121 PolarHBondContact NE2-SG 3.35Å; Q117-C121 WeakPolarHBondContact O-CB 3.47Å; Q117-C121 PolarHBondContact O-N 3.22Å; Q117-C121 PolarHBondContact O-SG 3.12Å
118E98.6Very high98.3Very high29 Ų2914.8 Ų14.814%0.1368%0.079CC..Hα-helixtrans-63.4-46.1175.1-176.2-156.1-14300110.2T113 T114 G115 S116 L120 C121 K122 T291T113-E118 WeakPolarHBondContact CA-OE2 3.49Å; T113-E118 VanDerWaalsContact CB-OE2 3.31Å; T113-E118 WeakPolarHBondContact CB-OE2 3.29Å; T114-E118 PolarHBondContact N-OE2 3.09Å; G115-E118 PolarHBondContact O-N 3.23Å; S116-E118 VanDerWaalsContact C-N 3.3Å; S116-E118 PolarHBondContact O-N 2.8Å; E118-L120 VanDerWaalsContact C-N 3.35Å; E118-L120 PolarHBondContact O-N 3.15Å; E118-C121 PolarHBondContact O-N 2.88Å; E118-K122 HydrophobicContact CG-CD 4.19Å; E118-K122 VanDerWaalsContact O-CG 3.29Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 2.79Å; E118-K122 VanDerWaalsContact O-N 3.08Å; E118-T291 WeakPolarHBondContact OE1-CB 3.33Å; E118-T291 VanDerWaalsContact OE1-CG2 3.3Å; E118-T291 WeakPolarHBondContact OE1-CG2 3.47Å; E118-T291 PolarHBondContact OE1-OG1 3.43Å
119G98.6Very high98.4Very high0 Ų016.8 Ų16.80%09%0.089CC..Hα-helixtrans-58.6-47.7175.800000111.7S116 K122 V123S116-G119 WeakPolarHBondContact O-CA 3.34Å; S116-G119 PolarHBondContact O-N 2.92Å; S116-G119 VanDerWaalsContact O-N 3.08Å; G119-K122 PolarHBondContact O-N 2.95Å; G119-V123 VanDerWaalsContact O-CG2 3.25Å; G119-V123 WeakPolarHBondContact O-CG2 3.36Å; G119-V123 PolarHBondContact O-N 3.35Å
120L98.6Very high98.4Very high0 Ų020.8 Ų20.80%012%0.116CC..Hα-helixtrans-60.1-47.8179.7-171.964.3000112.3S116 Q117 E118 K122 V123 F124 Y194 I227 D229 T257S116-L120 PolarHBondContact O-N 2.88Å; Q117-L120 PolarHBondContact O-N 3Å; E118-L120 VanDerWaalsContact C-N 3.35Å; E118-L120 PolarHBondContact O-N 3.15Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 2.96Å; L120-V123 WeakPolarHBondContact O-CB 3.32Å; L120-V123 PolarHBondContact O-N 3.25Å; L120-F124 HydrophobicContact CD1-CE1 3.85Å; L120-F124 HydrophobicContact CD1-CE2 4.06Å; L120-F124 HydrophobicContact CD1-CZ 3.5Å; L120-F124 HydrophobicContact CD2-CE2 3.95Å; L120-F124 HydrophobicContact CD2-CZ 3.92Å; L120-F124 HydrophobicContact CG-CD2 4.31Å; L120-F124 HydrophobicContact CG-CE1 4.26Å; L120-F124 HydrophobicContact CG-CE2 3.55Å; L120-F124 HydrophobicContact CG-CZ 3.52Å; L120-F124 WeakPolarHBondContact O-CD2 3.42Å; L120-F124 WeakPolarHBondContact O-CG 3.33Å; L120-F124 PolarHBondContact O-N 3.47Å; L120-Y194 HydrophobicContact CD1-CD2 4.16Å; L120-Y194 HydrophobicContact CD1-CE2 3.92Å; L120-Y194 HydrophobicContact CD2-CE2 3.88Å; L120-Y194 HydrophobicContact CG-CE2 4.5Å; L120-I227 HydrophobicContact CD1-CG2 3.47Å; L120-I227 VanDerWaalsContact CD1-CG2 3.47Å; L120-D229 HydrophobicContact CD1-CB 4.46Å; L120-D229 HydrophobicContact CD2-CB 4.5Å; L120-T257 HydrophobicContact CB-CG2 4.35Å
121C98.8Very high98.4Very high38 Ų3822.9 Ų22.926%0.25714%0.139SC..Hα-helixtrans-58.6-45.4176-70.10000111.7Q117 E118 V123 F124 E125Q117-C121 PolarHBondContact NE2-SG 3.35Å; Q117-C121 WeakPolarHBondContact O-CB 3.47Å; Q117-C121 PolarHBondContact O-N 3.22Å; Q117-C121 PolarHBondContact O-SG 3.12Å; E118-C121 PolarHBondContact O-N 2.88Å; C121-V123 VanDerWaalsContact C-N 3.27Å; C121-V123 PolarHBondContact O-N 3.16Å; C121-F124 PolarHBondContact O-N 3.48Å; C121-F124 VanDerWaalsContact O-N 3.14Å; C121-E125 WeakPolarHBondContact O-CG 3.42Å; C121-E125 PolarHBondContact O-N 3.2Å
122K98.8Very high98.4Very high13 Ų1324.4 Ų24.46%0.05715%0.147CC..Hα-helixtrans-65.2-32.1179-70.1179.4178.6-55.80112.7E118 G119 L120 E125 M126 V283 H286 I287 S290E118-K122 HydrophobicContact CG-CD 4.19Å; E118-K122 VanDerWaalsContact O-CG 3.29Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 2.79Å; E118-K122 VanDerWaalsContact O-N 3.08Å; G119-K122 PolarHBondContact O-N 2.95Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 2.96Å; K122-E125 WeakPolarHBondContact CA-OE2 3.4Å; K122-M126 WeakPolarHBondContact O-CB 3.35Å; K122-M126 PolarHBondContact O-N 2.96Å; K122-V283 HydrophobicContact CB-CG1 4.17Å; K122-V283 HydrophobicContact CD-CG1 4.23Å; K122-H286 HydrophobicContact CD-CB 4.29Å; K122-H286 PolarHBondContact NZ-CD2 3.24Å; K122-I287 HydrophobicContact CD-CD1 4.34Å; K122-I287 HydrophobicContact CD-CG1 3.64Å; K122-S290 PolarHBondContact NZ-OG 2.65Å
123V98.9Very high98.3Very high0 Ų025.5 Ų25.50%015%0.153CC..Hα-helixtrans-68-43.11731700000110.4G119 L120 C121 M126 L127 I227 I255 V283G119-V123 VanDerWaalsContact O-CG2 3.25Å; G119-V123 WeakPolarHBondContact O-CG2 3.36Å; G119-V123 PolarHBondContact O-N 3.35Å; L120-V123 WeakPolarHBondContact O-CB 3.32Å; L120-V123 PolarHBondContact O-N 3.25Å; C121-V123 VanDerWaalsContact C-N 3.27Å; C121-V123 PolarHBondContact O-N 3.16Å; V123-M126 HydrophobicContact CB-CE 4.45Å; V123-M126 HydrophobicContact CG1-CE 4.13Å; V123-M126 HydrophobicContact CG2-CE 4.36Å; V123-M126 WeakPolarHBondContact O-CB 3.26Å; V123-M126 PolarHBondContact O-N 2.91Å; V123-L127 HydrophobicContact CG1-CD1 3.64Å; V123-L127 HydrophobicContact CG1-CG 4.44Å; V123-L127 WeakPolarHBondContact O-CB 3.44Å; V123-L127 WeakPolarHBondContact O-CG 3.39Å; V123-L127 PolarHBondContact O-N 3.39Å; V123-L127 VanDerWaalsContact O-N 3.15Å; V123-I227 HydrophobicContact CG1-CD1 3.62Å; V123-I227 HydrophobicContact CG1-CG1 3.95Å; V123-I255 HydrophobicContact CG1-CD1 3.76Å; V123-I255 HydrophobicContact CG1-CG2 4.19Å; V123-I255 HydrophobicContact CG2-CG2 3.82Å; V123-V283 HydrophobicContact CG2-CG2 3.93Å
124F98.8Very high98.3Very high1 Ų125.5 Ų25.50%0.00415%0.153CC..Hα-helixtrans-62.2-49.6175.1-60.3-34.3000112.3L120 C121 M126 L127 V128 T144 A147 L148 L151 Y194 I227L120-F124 HydrophobicContact CD1-CE1 3.85Å; L120-F124 HydrophobicContact CD1-CE2 4.06Å; L120-F124 HydrophobicContact CD1-CZ 3.5Å; L120-F124 HydrophobicContact CD2-CE2 3.95Å; L120-F124 HydrophobicContact CD2-CZ 3.92Å; L120-F124 HydrophobicContact CG-CD2 4.31Å; L120-F124 HydrophobicContact CG-CE1 4.26Å; L120-F124 HydrophobicContact CG-CE2 3.55Å; L120-F124 HydrophobicContact CG-CZ 3.52Å; L120-F124 WeakPolarHBondContact O-CD2 3.42Å; L120-F124 WeakPolarHBondContact O-CG 3.33Å; L120-F124 PolarHBondContact O-N 3.47Å; C121-F124 PolarHBondContact O-N 3.48Å; C121-F124 VanDerWaalsContact O-N 3.14Å; F124-M126 PolarHBondContact O-N 2.91Å; F124-L127 PolarHBondContact O-N 2.76Å; F124-V128 WeakPolarHBondContact O-CB 3.25Å; F124-V128 WeakPolarHBondContact O-CG2 3.33Å; F124-V128 PolarHBondContact O-N 3.42Å; F124-T144 HydrophobicContact CE2-CG2 3.91Å; F124-T144 HydrophobicContact CZ-CG2 3.7Å; F124-A147 HydrophobicContact CD2-CB 4Å; F124-A147 HydrophobicContact CE2-CB 4.17Å; F124-L148 HydrophobicContact CB-CD2 3.95Å; F124-L148 HydrophobicContact CD1-CD2 3.7Å; F124-L148 HydrophobicContact CD1-CG 4.41Å; F124-L148 HydrophobicContact CD2-CD2 3.84Å; F124-L148 HydrophobicContact CD2-CG 3.94Å; F124-L148 HydrophobicContact CE1-CD1 4.35Å; F124-L148 HydrophobicContact CE1-CD2 4.07Å; F124-L148 HydrophobicContact CE1-CG 4.4Å; F124-L148 HydrophobicContact CE2-CD1 4.32Å; F124-L148 HydrophobicContact CE2-CD2 4.2Å; F124-L148 HydrophobicContact CE2-CG 3.92Å; F124-L148 HydrophobicContact CG-CD2 3.58Å; F124-L148 HydrophobicContact CG-CG 4.2Å; F124-L148 HydrophobicContact CZ-CD1 4.11Å; F124-L148 HydrophobicContact CZ-CD2 4.31Å; F124-L148 HydrophobicContact CZ-CG 4.16Å; F124-L151 HydrophobicContact CB-CD1 3.69Å; F124-Y194 HydrophobicContact CE1-CD2 4Å; F124-Y194 AromaticContact CZ-CD2 3.76Å; F124-Y194 HydrophobicContact CZ-CD2 3.76Å; F124-Y194 HydrophobicContact CZ-CE2 4.04Å; F124-Y194 HydrophobicContact CZ-CG 4.43Å; F124-I227 HydrophobicContact CD1-CD1 3.71Å; F124-I227 HydrophobicContact CE1-CD1 3.56Å
125E98.8Very high98.3Very high84 Ų8423.6 Ų23.639%0.39314%0.141SC..Hα-helixtrans-62.3-27.8177.6-64.6163.9147.400112.9T8 C121 K122 L151 H286T8-E125 PolarHBondContact OG1-O 3.15Å; C121-E125 WeakPolarHBondContact O-CG 3.42Å; C121-E125 PolarHBondContact O-N 3.2Å; K122-E125 WeakPolarHBondContact CA-OE2 3.4Å; E125-L151 HydrophobicContact CG-CD2 4.29Å; E125-H286 IonicContact OE2-CE1 3.9Å; E125-H286 PolarHBondContact OE2-CE1 2.98Å; E125-H286 IonicContact OE2-ND1 3.47Å; E125-H286 PolarHBondContact OE2-ND1 2.79Å
126M98.7Very high98.4Very high5 Ų523.6 Ų23.63%0.02514%0.141CC..Hα-helixtrans-69.9-34.7174.2165.9-178.474.600112.2L7 T8 K122 V123 F124 I255 L279 R282L7-M126 HydrophobicContact CD2-CG 3.62Å; L7-M126 HydrophobicContact CD2-SD 3.98Å; T8-M126 WeakPolarHBondContact CG2-O 3.12Å; T8-M126 PolarHBondContact N-O 3.07Å; T8-M126 PolarHBondContact OG1-O 2.83Å; K122-M126 WeakPolarHBondContact O-CB 3.35Å; K122-M126 PolarHBondContact O-N 2.96Å; V123-M126 HydrophobicContact CB-CE 4.45Å; V123-M126 HydrophobicContact CG1-CE 4.13Å; V123-M126 HydrophobicContact CG2-CE 4.36Å; V123-M126 WeakPolarHBondContact O-CB 3.26Å; V123-M126 PolarHBondContact O-N 2.91Å; F124-M126 PolarHBondContact O-N 2.91Å; M126-I255 HydrophobicContact CE-CD1 3.75Å; M126-L279 HydrophobicContact CE-CB 4.06Å; M126-L279 HydrophobicContact CE-CD2 4.4Å; M126-L279 HydrophobicContact SD-CB 4.2Å; M126-L279 HydrophobicContact SD-CD2 4.31Å; M126-R282 HydrophobicContact CG-CB 4.22Å; M126-R282 HydrophobicContact SD-CB 3.63Å; M126-R282 HydrophobicContact SD-CG 4.03Å
127L98.5Very high98.3Very high1 Ų123.6 Ų23.61%0.00514%0.14CC..Hα-helixtrans-109.4-24.8-163.3-65.7178.5000114.9F6 V123 F124 V192 L225 I227 I255F6-L127 HydrophobicContact CB-CD2 3.77Å; F6-L127 WeakPolarHBondContact O-CA 3.35Å; F6-L127 VanDerWaalsContact O-CD2 3.25Å; F6-L127 WeakPolarHBondContact O-CD2 3.49Å; V123-L127 HydrophobicContact CG1-CD1 3.64Å; V123-L127 HydrophobicContact CG1-CG 4.44Å; V123-L127 WeakPolarHBondContact O-CB 3.44Å; V123-L127 WeakPolarHBondContact O-CG 3.39Å; V123-L127 PolarHBondContact O-N 3.39Å; V123-L127 VanDerWaalsContact O-N 3.15Å; F124-L127 PolarHBondContact O-N 2.76Å; L127-V192 HydrophobicContact CB-CG2 3.92Å; L127-V192 HydrophobicContact CD1-CG2 4.02Å; L127-L225 HydrophobicContact CD1-CD1 4.06Å; L127-L225 HydrophobicContact CD2-CD1 3.72Å; L127-I227 HydrophobicContact CD1-CD1 4.12Å; L127-I255 HydrophobicContact CD1-CD1 3.85Å
128V98.2Very high98Very high8 Ų822 Ų225%0.04813%0.134CC..  trans-113.2120.8-165.5-177.90000110.4T8 F124 D132 V134 L148 L151 C153T8-V128 WeakPolarHBondContact CG2-O 3.3Å; F124-V128 WeakPolarHBondContact O-CB 3.25Å; F124-V128 WeakPolarHBondContact O-CG2 3.33Å; F124-V128 PolarHBondContact O-N 3.42Å; V128-D132 HydrophobicContact CG1-CB 4.37Å; V128-V134 HydrophobicContact CG1-CG2 4.16Å; V128-V134 HydrophobicContact CG2-CG2 3.9Å; V128-L148 HydrophobicContact CG2-CD2 4.43Å; V128-L151 HydrophobicContact CB-CD1 4.08Å; V128-L151 HydrophobicContact CG1-CB 4.18Å; V128-L151 HydrophobicContact CG1-CD1 4.32Å; V128-C153 HydrophobicContact CG1-CB 3.44Å; V128-C153 VanDerWaalsContact CG1-CB 3.44Å
129N97Very high98Very high50 Ų5021.6 Ų21.627%0.26713%0.134SC..  trans-97.8159.3166.5-58.6-78.9000110.4T8 G131 D132 R191T8-N129 WeakPolarHBondContact CB-OD1 3.36Å; T8-N129 WeakPolarHBondContact CG2-OD1 3.41Å; N129-G131 PolarHBondContact O-N 3.49Å; N129-D132 PolarHBondContact N-OD2 2.99Å; N129-D132 PolarHBondContact ND2-OD2 3.41Å; N129-D132 VanDerWaalsContact O-CB 3.28Å; N129-D132 WeakPolarHBondContact O-CB 3.4Å; N129-D132 PolarHBondContact O-N 2.92Å; N129-D132 VanDerWaalsContact O-N 3.13Å; N129-R191 PolarHBondContact ND2-NH2 3.5Å
130P97.6Very high98Very high107 Ų10721.8 Ų21.870%0.69514%0.135SC*.THydrogen-bonded Turntrans-54.1134.3168.5-25.234.6000111.8D132 L151P130-D132 VanDerWaalsContact C-N 3.33Å; P130-L151 WeakPolarHBondContact CA-O 3.5Å
131G96.8Very high98Very high47 Ų4725.4 Ų25.449%0.48515%0.15SC..THydrogen-bonded Turntrans85.4-8-177.600000115.4N129 G152 N154N129-G131 PolarHBondContact O-N 3.49Å; G131-G152 PolarHBondContact N-O 2.91Å; G131-N154 PolarHBondContact O-ND2 3.06Å; G131-N154 VanDerWaalsContact O-ND2 3.14Å
132D97.4Very high97.9Very high31 Ų3125.7 Ų25.717%0.16615%0.152CC..  trans-66.7148.6176.5-74.4-15.1000112V128 N129 P130 C153 N154 R191V128-D132 HydrophobicContact CG1-CB 4.37Å; N129-D132 PolarHBondContact N-OD2 2.99Å; N129-D132 PolarHBondContact ND2-OD2 3.41Å; N129-D132 VanDerWaalsContact O-CB 3.28Å; N129-D132 WeakPolarHBondContact O-CB 3.4Å; N129-D132 PolarHBondContact O-N 2.92Å; N129-D132 VanDerWaalsContact O-N 3.13Å; P130-D132 VanDerWaalsContact C-N 3.33Å; D132-C153 CarbonylContact O-C 3.31Å; D132-C153 WeakPolarHBondContact O-CA 3.38Å; D132-C153 VanDerWaalsContact O-CB 3.3Å; D132-C153 WeakPolarHBondContact O-CB 3.29Å; D132-N154 PolarHBondContact O-N 3.23Å; D132-R191 IonicContact OD1-CZ 3.69Å; D132-R191 IonicContact OD1-NH2 2.66Å; D132-R191 PolarHBondContact OD1-NH2 3.3Å; D132-R191 IonicContact OD2-CZ 2.79Å; D132-R191 IonicContact OD2-NE 3.82Å; D132-R191 IonicContact OD2-NH2 2.98Å; D132-R191 PolarHBondContact OD2-NH2 3.11Å
133N98.2Very high97.9Very high23 Ų2325.9 Ų25.912%0.12316%0.157CC..EExtended strand (participates in β ladder)trans-89.7125.7172.4-65.4-39.9000110.7N154 I156 T188 P190N133-N154 VanDerWaalsContact OD1-CB 3.28Å; N133-N154 WeakPolarHBondContact OD1-CB 3.35Å; N133-N154 PolarHBondContact OD1-ND2 2.96Å; N133-I156 HydrophobicContact CB-CD1 3.81Å; N133-T188 PolarHBondContact ND2-O 3.34Å; N133-P190 HydrophobicContact CB-CB 4.18Å; N133-P190 HydrophobicContact CB-CG 3.92Å; N133-P190 WeakPolarHBondContact O-CA 3.47Å
134V98.6Very high97.9Very high1 Ų125.9 Ų25.91%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-119.8126.5176.11780000109V128 L148 C153 N154 L155 I156 V192V128-V134 HydrophobicContact CG1-CG2 4.16Å; V128-V134 HydrophobicContact CG2-CG2 3.9Å; V134-L148 HydrophobicContact CG1-CD1 4.39Å; V134-C153 HydrophobicContact CG2-CB 4.05Å; V134-N154 PolarHBondContact N-O 3.06Å; V134-L155 HydrophobicContact CB-CD2 4.16Å; V134-L155 HydrophobicContact CG1-CD2 4.38Å; V134-I156 PolarHBondContact O-N 3.19Å; V134-V192 HydrophobicContact CG1-CB 4.49Å; V134-V192 HydrophobicContact CG1-CG1 4.37Å
135L98.9Very high97.8Very high0 Ų026.1 Ų26.10%016%0.159CC..EExtended strand (participates in β ladder)trans-90.6137.9178.7-53.9-179.3000110.2I156 V158 L170 V173 L174 P190 V192 L193 Y194 L224L135-I156 HydrophobicContact CD2-CB 3.8Å; L135-I156 HydrophobicContact CD2-CD1 4.34Å; L135-I156 HydrophobicContact CD2-CG2 4.02Å; L135-V158 HydrophobicContact CB-CG2 4.21Å; L135-L170 HydrophobicContact CD1-CD1 3.64Å; L135-V173 HydrophobicContact CD2-CG1 3.94Å; L135-L174 HydrophobicContact CD1-CD2 3.83Å; L135-L174 HydrophobicContact CD1-CG 4.32Å; L135-P190 HydrophobicContact CD1-CB 3.97Å; L135-P190 HydrophobicContact CD1-CG 4.22Å; L135-P190 HydrophobicContact CD2-CB 4.03Å; L135-P190 HydrophobicContact CD2-CG 3.8Å; L135-P190 HydrophobicContact CG-CB 3.74Å; L135-P190 HydrophobicContact CG-CG 4.06Å; L135-V192 PolarHBondContact N-O 2.91Å; L135-L193 HydrophobicContact CB-CB 4.23Å; L135-L193 HydrophobicContact CB-CD1 4.34Å; L135-L193 HydrophobicContact CB-CG 4.22Å; L135-L193 HydrophobicContact CD1-CD1 4.43Å; L135-L193 CarbonylContact O-C 3.43Å; L135-L193 WeakPolarHBondContact O-CA 3.41Å; L135-Y194 PolarHBondContact O-N 3.31Å; L135-L224 HydrophobicContact CD1-CD1 4.09Å
136L98.8Very high97.8Very high0 Ų025 Ų250%016%0.164CC..EExtended strand (participates in β ladder)trans-155.7159.3170.660.283.3000110.6A138 T140 L145 L148 L155 I156 N157 V158 Y194 I388L136-A138 HydrophobicContact CD1-CB 4.04Å; L136-T140 HydrophobicContact CD1-CG2 4.21Å; L136-L145 HydrophobicContact CD2-CD2 4.36Å; L136-L148 HydrophobicContact CD2-CD1 4.26Å; L136-L155 HydrophobicContact CD2-CD1 4.44Å; L136-L155 HydrophobicContact CD2-CD2 3.89Å; L136-I156 PolarHBondContact N-O 2.88Å; L136-N157 CarbonylContact O-C 3.56Å; L136-N157 WeakPolarHBondContact O-CA 3.49Å; L136-V158 PolarHBondContact O-N 2.89Å; L136-Y194 WeakPolarHBondContact CA-O 3.42Å; L136-Y194 HydrophobicContact CB-CD1 4.08Å; L136-I388 HydrophobicContact CD1-CD1 4Å; L136-I388 HydrophobicContact CD1-CG1 4.16Å
137D96.5Very high97.8Very high14 Ų1425.9 Ų25.98%0.07517%0.172CC..  trans-90.3129.2166.457.6-55.5000111.5T140 V158 M165 T195D137-T140 VanDerWaalsContact O-CB 3.31Å; D137-T140 WeakPolarHBondContact O-CB 3.45Å; D137-V158 WeakPolarHBondContact CA-O 3.39Å; D137-V158 WeakPolarHBondContact CB-O 3.12Å; D137-M165 HydrophobicContact CB-CB 4.25Å; D137-M165 HydrophobicContact CB-CE 3.91Å; D137-M165 HydrophobicContact CB-CG 4.43Å; D137-M165 WeakPolarHBondContact OD1-CE 3.26Å; D137-T195 PolarHBondContact OD1-OG1 3.44Å
138A93.8Very high97.8Very high10 Ų1025.9 Ų25.98%0.08317%0.172CC..SBendtrans-113.5140.9174.900000110.8L136 N157 I388L136-A138 HydrophobicContact CD1-CB 4.04Å; A138-N157 WeakPolarHBondContact CB-OD1 3.5Å; A138-N157 PolarHBondContact N-OD1 3.46Å; A138-I388 HydrophobicContact CB-CD1 4.29Å; A138-I388 HydrophobicContact CB-CG1 4.07Å
139P97.6Very high97.7Very high21 Ų2130.2 Ų30.214%0.13619%0.192CC..SBendcis-69.9146.99.229.7-36.6000113.5P202 T203 W356 F386 M387P139-P202 HydrophobicContact CB-CG 3.77Å; P139-P202 HydrophobicContact CG-CG 4.02Å; P139-T203 HydrophobicContact CG-CG2 3.61Å; P139-W356 HydrophobicContact CB-CZ2 4.21Å; P139-W356 HydrophobicContact CG-CZ2 3.97Å; P139-F386 CarbonylContact C-O 3.54Å; P139-F386 VanDerWaalsContact CA-O 3.27Å; P139-F386 WeakPolarHBondContact CA-O 3.3Å; P139-F386 HydrophobicContact CB-CB 3.77Å; P139-M387 HydrophobicContact CB-SD 3.79Å
140T98.2Very high97.8Very high3 Ų333 Ų332%0.01821%0.212CC..  trans-138.8175.4-176.9-155.60000111.9L136 D137 S142 L145 N201 F386L136-T140 HydrophobicContact CD1-CG2 4.21Å; D137-T140 VanDerWaalsContact O-CB 3.31Å; D137-T140 WeakPolarHBondContact O-CB 3.45Å; T140-S142 PolarHBondContact O-N 3Å; T140-L145 HydrophobicContact CG2-CD1 4.1Å; T140-L145 HydrophobicContact CG2-CD2 3.62Å; T140-L145 HydrophobicContact CG2-CG 3.67Å; T140-N201 CarbonylContact C-O 3.45Å; T140-F386 PolarHBondContact N-O 3.49Å; T140-F386 WeakPolarHBondContact O-CA 3.38Å; T140-F386 WeakPolarHBondContact O-CB 3.17Å; T140-F386 WeakPolarHBondContact O-CD1 3.39Å
141Y98.4Very high97.8Very high76 Ų7629.7 Ų29.730%0.29819%0.189SC..  trans-62.7123-178.7174.2-134000111G143 T144 L145 N201Y141-G143 VanDerWaalsContact CE1-CA 3.45Å; Y141-G143 PolarHBondContact O-N 3.45Å; Y141-G143 VanDerWaalsContact O-N 3.15Å; Y141-T144 WeakPolarHBondContact O-CA 3.46Å; Y141-T144 WeakPolarHBondContact O-CB 3.34Å; Y141-T144 PolarHBondContact O-N 3.46Å; Y141-L145 PolarHBondContact O-N 2.78Å; Y141-N201 WeakPolarHBondContact CA-O 3.36Å; Y141-N201 WeakPolarHBondContact CD2-ND2 3.4Å; Y141-N201 PolarHBondContact N-O 3.01Å
142S97.8Very high97.9Very high45 Ų4529.3 Ų29.332%0.31519%0.185SC..Hα-helixtrans-57.7-30.8-179.660.10000113.7T140 T144 L145 A146 V385T140-S142 PolarHBondContact O-N 3Å; S142-T144 VanDerWaalsContact C-N 3.32Å; S142-T144 PolarHBondContact O-N 3.08Å; S142-L145 PolarHBondContact O-N 3.42Å; S142-A146 WeakPolarHBondContact O-CB 3.39Å; S142-A146 PolarHBondContact O-N 3.32Å; S142-V385 VanDerWaalsContact CB-O 3.3Å; S142-V385 WeakPolarHBondContact CB-O 3.46Å
143G98.1Very high97.9Very high16 Ų1628.5 Ų28.517%0.16518%0.182CC..Hα-helixtrans-67.7-30.4174.500000113.3Y141 A147Y141-G143 VanDerWaalsContact CE1-CA 3.45Å; Y141-G143 PolarHBondContact O-N 3.45Å; Y141-G143 VanDerWaalsContact O-N 3.15Å; G143-A147 WeakPolarHBondContact O-CB 3.41Å; G143-A147 PolarHBondContact O-N 3.4Å
144T98.6Very high97.9Very high0 Ų031.4 Ų31.40%020%0.197CC..Hα-helixtrans-69.8-43.4172.4-64.80000111.1F124 Y141 S142 A146 A147 L148 Y194F124-T144 HydrophobicContact CE2-CG2 3.91Å; F124-T144 HydrophobicContact CZ-CG2 3.7Å; Y141-T144 WeakPolarHBondContact O-CA 3.46Å; Y141-T144 WeakPolarHBondContact O-CB 3.34Å; Y141-T144 PolarHBondContact O-N 3.46Å; S142-T144 VanDerWaalsContact C-N 3.32Å; S142-T144 PolarHBondContact O-N 3.08Å; T144-A146 VanDerWaalsContact C-N 3.34Å; T144-A146 PolarHBondContact O-N 3.34Å; T144-A147 PolarHBondContact O-N 2.9Å; T144-A147 VanDerWaalsContact O-N 3.16Å; T144-L148 HydrophobicContact CG2-CD1 3.7Å; T144-L148 HydrophobicContact CG2-CG 4.4Å; T144-L148 PolarHBondContact O-N 3.21Å; T144-Y194 HydrophobicContact CG2-CD1 3.97Å; T144-Y194 HydrophobicContact CG2-CD2 4.27Å; T144-Y194 HydrophobicContact CG2-CE1 3.66Å; T144-Y194 HydrophobicContact CG2-CE2 3.94Å; T144-Y194 HydrophobicContact CG2-CG 4.26Å; T144-Y194 PolarHBondContact OG1-OH 3.2Å
145L98.3Very high97.9Very high6 Ų632.7 Ų32.73%0.03120%0.204CC..Hα-helixtrans-60-46.1174.5-62.3177.9000111.1L136 T140 Y141 S142 A147 L148 Q149 L155 M387 I388L136-L145 HydrophobicContact CD2-CD2 4.36Å; T140-L145 HydrophobicContact CG2-CD1 4.1Å; T140-L145 HydrophobicContact CG2-CD2 3.62Å; T140-L145 HydrophobicContact CG2-CG 3.67Å; Y141-L145 PolarHBondContact O-N 2.78Å; S142-L145 PolarHBondContact O-N 3.42Å; L145-A147 PolarHBondContact O-N 3.47Å; L145-L148 PolarHBondContact O-N 2.78Å; L145-Q149 WeakPolarHBondContact O-CB 3.31Å; L145-Q149 VanDerWaalsContact O-CG 3.24Å; L145-Q149 WeakPolarHBondContact O-CG 3.32Å; L145-Q149 PolarHBondContact O-N 3.16Å; L145-L155 HydrophobicContact CD2-CD1 3.81Å; L145-M387 VanDerWaalsContact CD1-O 3.24Å; L145-M387 WeakPolarHBondContact CD1-O 3.29Å; L145-I388 HydrophobicContact CD2-CG1 4.29Å
146A98.1Very high97.9Very high62 Ų6233.8 Ų33.851%0.51221%0.21SC..Hα-helixtrans-62.6-27.817700000113.3S142 T144 P150S142-A146 WeakPolarHBondContact O-CB 3.39Å; S142-A146 PolarHBondContact O-N 3.32Å; T144-A146 VanDerWaalsContact C-N 3.34Å; T144-A146 PolarHBondContact O-N 3.34Å; A146-P150 WeakPolarHBondContact O-CD 3.41Å; A146-P150 WeakPolarHBondContact O-CG 3.33Å
147A98.3Very high97.9Very high23 Ų2337 Ų3719%0.1923%0.227CC..Hα-helixtrans-80.8-36.5175.700000112.9F124 G143 T144 L145F124-A147 HydrophobicContact CD2-CB 4Å; F124-A147 HydrophobicContact CE2-CB 4.17Å; G143-A147 WeakPolarHBondContact O-CB 3.41Å; G143-A147 PolarHBondContact O-N 3.4Å; T144-A147 PolarHBondContact O-N 2.9Å; T144-A147 VanDerWaalsContact O-N 3.16Å; L145-A147 PolarHBondContact O-N 3.47Å
148L98.4Very high98Very high0 Ų036.4 Ų36.40%022%0.223CC..Hα-helixtrans-85.6-37.6-175.8-75.2169.3000113.7F124 V128 V134 L136 T144 L145 L151 C153 L155F124-L148 HydrophobicContact CB-CD2 3.95Å; F124-L148 HydrophobicContact CD1-CD2 3.7Å; F124-L148 HydrophobicContact CD1-CG 4.41Å; F124-L148 HydrophobicContact CD2-CD2 3.84Å; F124-L148 HydrophobicContact CD2-CG 3.94Å; F124-L148 HydrophobicContact CE1-CD1 4.35Å; F124-L148 HydrophobicContact CE1-CD2 4.07Å; F124-L148 HydrophobicContact CE1-CG 4.4Å; F124-L148 HydrophobicContact CE2-CD1 4.32Å; F124-L148 HydrophobicContact CE2-CD2 4.2Å; F124-L148 HydrophobicContact CE2-CG 3.92Å; F124-L148 HydrophobicContact CG-CD2 3.58Å; F124-L148 HydrophobicContact CG-CG 4.2Å; F124-L148 HydrophobicContact CZ-CD1 4.11Å; F124-L148 HydrophobicContact CZ-CD2 4.31Å; F124-L148 HydrophobicContact CZ-CG 4.16Å; V128-L148 HydrophobicContact CG2-CD2 4.43Å; V134-L148 HydrophobicContact CG1-CD1 4.39Å; L136-L148 HydrophobicContact CD2-CD1 4.26Å; T144-L148 HydrophobicContact CG2-CD1 3.7Å; T144-L148 HydrophobicContact CG2-CG 4.4Å; T144-L148 PolarHBondContact O-N 3.21Å; L145-L148 PolarHBondContact O-N 2.78Å; L148-L151 HydrophobicContact CD2-CD1 4.34Å; L148-L151 WeakPolarHBondContact O-CB 3.47Å; L148-L151 PolarHBondContact O-N 2.82Å; L148-C153 PolarHBondContact O-SG 3.35Å; L148-L155 HydrophobicContact CB-CD1 4.49Å; L148-L155 HydrophobicContact CB-CD2 3.99Å; L148-L155 HydrophobicContact CD1-CD2 3.82Å; L148-L155 HydrophobicContact CG-CD2 4.44Å
149Q96.8Very high98.2Very high100 Ų10038.6 Ų38.647%0.46724%0.237SC..G310 helixtrans-55.5-45.5-177.2-76.2171.5-17.200112.8L145 L151 G152 L155 I388L145-Q149 WeakPolarHBondContact O-CB 3.31Å; L145-Q149 VanDerWaalsContact O-CG 3.24Å; L145-Q149 WeakPolarHBondContact O-CG 3.32Å; L145-Q149 PolarHBondContact O-N 3.16Å; Q149-L151 PolarHBondContact O-N 2.99Å; Q149-G152 PolarHBondContact O-N 2.82Å; Q149-G152 VanDerWaalsContact O-N 3.1Å; Q149-L155 HydrophobicContact CG-CD1 4.3Å; Q149-I388 PolarHBondContact NE2-O 2.84Å
150P98.3Very high98.2Very high107 Ų10739.2 Ų39.270%0.69524%0.242SC*.G310 helixtrans-67.9-15.8178.7-20.634.6000114.5A146 G152A146-P150 WeakPolarHBondContact O-CD 3.41Å; A146-P150 WeakPolarHBondContact O-CG 3.33Å; P150-G152 PolarHBondContact O-N 3.19Å
151L98.4Very high98.1Very high38 Ų3841.6 Ų41.620%0.19925%0.254CS..G310 helixtrans-75.3-8.4174.8-56.2-178.5000112.3F124 E125 V128 P130 L148 Q149 C153F124-L151 HydrophobicContact CB-CD1 3.69Å; E125-L151 HydrophobicContact CG-CD2 4.29Å; V128-L151 HydrophobicContact CB-CD1 4.08Å; V128-L151 HydrophobicContact CG1-CB 4.18Å; V128-L151 HydrophobicContact CG1-CD1 4.32Å; P130-L151 WeakPolarHBondContact CA-O 3.5Å; L148-L151 HydrophobicContact CD2-CD1 4.34Å; L148-L151 WeakPolarHBondContact O-CB 3.47Å; L148-L151 PolarHBondContact O-N 2.82Å; Q149-L151 PolarHBondContact O-N 2.99Å; L151-C153 VanDerWaalsContact C-N 3.32Å; L151-C153 PolarHBondContact O-N 3.39Å
152G97.8Very high98Very high39 Ų3941.8 Ų41.840%0.40226%0.258SS..THydrogen-bonded Turntrans70.625.6176.200000113.8G131 Q149 P150G131-G152 PolarHBondContact N-O 2.91Å; Q149-G152 PolarHBondContact O-N 2.82Å; Q149-G152 VanDerWaalsContact O-N 3.1Å; P150-G152 PolarHBondContact O-N 3.19Å
153C98.1Very high98Very high15 Ų1543.2 Ų43.210%0.10126%0.259CS..  trans-84.3158.2175.565.20000112.3V128 D132 V134 L148 L151V128-C153 HydrophobicContact CG1-CB 3.44Å; V128-C153 VanDerWaalsContact CG1-CB 3.44Å; D132-C153 CarbonylContact O-C 3.31Å; D132-C153 WeakPolarHBondContact O-CA 3.38Å; D132-C153 VanDerWaalsContact O-CB 3.3Å; D132-C153 WeakPolarHBondContact O-CB 3.29Å; V134-C153 HydrophobicContact CG2-CB 4.05Å; L148-C153 PolarHBondContact O-SG 3.35Å; L151-C153 VanDerWaalsContact C-N 3.32Å; L151-C153 PolarHBondContact O-N 3.39Å
154N98.1Very high98Very high83 Ų8342.8 Ų42.844%0.44426%0.255SS..EExtended strand (participates in β ladder)trans-87.1109.4170.7-53.2-47.6000108.6G131 D132 N133 V134 I156G131-N154 PolarHBondContact O-ND2 3.06Å; G131-N154 VanDerWaalsContact O-ND2 3.14Å; D132-N154 PolarHBondContact O-N 3.23Å; N133-N154 VanDerWaalsContact OD1-CB 3.28Å; N133-N154 WeakPolarHBondContact OD1-CB 3.35Å; N133-N154 PolarHBondContact OD1-ND2 2.96Å; V134-N154 PolarHBondContact N-O 3.06Å; N154-I156 PolarHBondContact O-N 3.41Å
155L98.5Very high98Very high29 Ų2942.8 Ų42.815%0.15226%0.255CS..EExtended strand (participates in β ladder)trans-78.7115172.9-61.3-178.5000109.4V134 L136 L145 L148 Q149 I388V134-L155 HydrophobicContact CB-CD2 4.16Å; V134-L155 HydrophobicContact CG1-CD2 4.38Å; L136-L155 HydrophobicContact CD2-CD1 4.44Å; L136-L155 HydrophobicContact CD2-CD2 3.89Å; L145-L155 HydrophobicContact CD2-CD1 3.81Å; L148-L155 HydrophobicContact CB-CD1 4.49Å; L148-L155 HydrophobicContact CB-CD2 3.99Å; L148-L155 HydrophobicContact CD1-CD2 3.82Å; L148-L155 HydrophobicContact CG-CD2 4.44Å; Q149-L155 HydrophobicContact CG-CD1 4.3Å; L155-I388 HydrophobicContact CB-CD1 4.08Å; L155-I388 HydrophobicContact CB-CG1 4.41Å; L155-I388 HydrophobicContact CB-CG2 4.01Å; L155-I388 HydrophobicContact CD1-CG2 4.23Å
156I98.6Very high98Very high23 Ų2344.6 Ų44.612%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-106.7114.4179.8-55.2-177.7000108.4N133 V134 L135 L136 N154 V173 W177N133-I156 HydrophobicContact CB-CD1 3.81Å; V134-I156 PolarHBondContact O-N 3.19Å; L135-I156 HydrophobicContact CD2-CB 3.8Å; L135-I156 HydrophobicContact CD2-CD1 4.34Å; L135-I156 HydrophobicContact CD2-CG2 4.02Å; L136-I156 PolarHBondContact N-O 2.88Å; N154-I156 PolarHBondContact O-N 3.41Å; I156-V173 HydrophobicContact CG2-CG1 3.64Å; I156-W177 HydrophobicContact CD1-CH2 3.78Å; I156-W177 HydrophobicContact CD1-CZ2 4.43Å
157N98.4Very high98Very high68 Ų6842.3 Ų42.336%0.36424%0.244SC..EExtended strand (participates in β ladder)trans-67.5135.2177.1-172.537.7000111.3L136 A138 I388L136-N157 CarbonylContact O-C 3.56Å; L136-N157 WeakPolarHBondContact O-CA 3.49Å; A138-N157 WeakPolarHBondContact CB-OD1 3.5Å; A138-N157 PolarHBondContact N-OD1 3.46Å; N157-I388 HydrophobicContact CB-CD1 3.88Å
158V98.7Very high98Very high0 Ų047.1 Ų47.10%027%0.267CS..  trans-109.2128.2166.4-175.80000107.9L135 L136 D137 M165 L170L135-V158 HydrophobicContact CB-CG2 4.21Å; L136-V158 PolarHBondContact O-N 2.89Å; D137-V158 WeakPolarHBondContact CA-O 3.39Å; D137-V158 WeakPolarHBondContact CB-O 3.12Å; V158-M165 HydrophobicContact CB-CE 4.09Å; V158-M165 HydrophobicContact CB-CG 4.03Å; V158-M165 HydrophobicContact CB-SD 4.11Å; V158-M165 HydrophobicContact CG1-CE 4.42Å; V158-M165 HydrophobicContact CG1-CG 3.43Å; V158-M165 VanDerWaalsContact CG1-CG 3.43Å; V158-M165 HydrophobicContact CG1-SD 3.8Å; V158-M165 HydrophobicContact CG2-CE 4.36Å; V158-M165 HydrophobicContact CG2-SD 4.42Å; V158-L170 HydrophobicContact CG1-CB 3.82Å; V158-L170 HydrophobicContact CG1-CD1 4.42Å; V158-L170 HydrophobicContact CG2-CD1 3.95Å
159P98.2Very high98Very high56 Ų5647.4 Ų47.436%0.36427%0.27SS..  trans-55141.8178.9-26.935000113I166P159-I166 HydrophobicContact CB-CD1 4.16Å; P159-I166 WeakPolarHBondContact O-CB 3.3Å; P159-I166 PolarHBondContact O-N 3.31Å
160S97.8Very high98.1Very high35 Ų3542.6 Ų42.625%0.24525%0.247CC..EExtended strand (participates in β ladder)trans-135.6160.8175.158.70000111.4G164S160-G164 VanDerWaalsContact CA-O 3.26Å; S160-G164 WeakPolarHBondContact CA-O 3.39Å; S160-G164 WeakPolarHBondContact CB-O 3.35Å
161D97.3Very high98.1Very high52 Ų5243.2 Ų43.228%0.27824%0.239SC..EExtended strand (participates in β ladder)trans-138.3-162.8174.765.817.8000110.6H163 G164 I166 R211D161-H163 PolarHBondContact O-N 2.99Å; D161-H163 WeakPolarHBondContact OD1-CA 3.34Å; D161-H163 WeakPolarHBondContact OD1-CB 3.18Å; D161-H163 PolarHBondContact OD1-N 3.32Å; D161-G164 PolarHBondContact N-O 3.19Å; D161-G164 PolarHBondContact O-N 3.42Å; D161-I166 HydrophobicContact CB-CD1 4.25Å; D161-R211 IonicContact OD1-CZ 3.71Å; D161-R211 IonicContact OD1-NH1 2.72Å; D161-R211 PolarHBondContact OD1-NH1 3.04Å; D161-R211 IonicContact OD1-NH2 3.56Å; D161-R211 PolarHBondContact OD1-NH2 3.2Å; D161-R211 IonicContact OD2-CZ 3.6Å; D161-R211 IonicContact OD2-NH1 3.34Å; D161-R211 IonicContact OD2-NH2 2.79Å; D161-R211 PolarHBondContact OD2-NH2 2.94Å
162Q96.2Very high98.2Very high81 Ų8148.1 Ų48.138%0.37926%0.261SS..THydrogen-bonded Turntrans-60.7-12.3178.973.3-790.100114.5H347Q162-H347 HydrophobicContact CB-CB 4Å
163H97.1Very high98.2Very high74 Ų7446.6 Ų46.634%0.34324%0.244SC..THydrogen-bonded Turntrans-108.623.8175-54.2-60.2000112.3D161 S206 M207 I208 R211D161-H163 PolarHBondContact O-N 2.99Å; D161-H163 WeakPolarHBondContact OD1-CA 3.34Å; D161-H163 WeakPolarHBondContact OD1-CB 3.18Å; D161-H163 PolarHBondContact OD1-N 3.32Å; H163-S206 CarbonylContact C-O 3.54Å; H163-S206 WeakPolarHBondContact CA-O 3.22Å; H163-M207 WeakPolarHBondContact O-CA 3.48Å; H163-I208 HydrophobicContact CB-CG2 4.36Å; H163-R211 WeakPolarHBondContact O-CD 3.43Å; H163-R211 PolarHBondContact O-NH1 2.82Å
164G97.4Very high98.2Very high7 Ų745.9 Ų45.97%0.07224%0.239CC..EExtended strand (participates in β ladder)trans78-158.817800000113.2S160 D161 R211S160-G164 VanDerWaalsContact CA-O 3.26Å; S160-G164 WeakPolarHBondContact CA-O 3.39Å; S160-G164 WeakPolarHBondContact CB-O 3.35Å; D161-G164 PolarHBondContact N-O 3.19Å; D161-G164 PolarHBondContact O-N 3.42Å; G164-R211 PolarHBondContact O-NH1 3.41Å
165M98.5Very high98.2Very high0 Ų045.8 Ų45.80%025%0.245CC..EExtended strand (participates in β ladder)trans-52.3136178.3-171.3-178.8-70.500112.7D137 V158 L170 L193 M207 R211 I215D137-M165 HydrophobicContact CB-CB 4.25Å; D137-M165 HydrophobicContact CB-CE 3.91Å; D137-M165 HydrophobicContact CB-CG 4.43Å; D137-M165 WeakPolarHBondContact OD1-CE 3.26Å; V158-M165 HydrophobicContact CB-CE 4.09Å; V158-M165 HydrophobicContact CB-CG 4.03Å; V158-M165 HydrophobicContact CB-SD 4.11Å; V158-M165 HydrophobicContact CG1-CE 4.42Å; V158-M165 HydrophobicContact CG1-CG 3.43Å; V158-M165 VanDerWaalsContact CG1-CG 3.43Å; V158-M165 HydrophobicContact CG1-SD 3.8Å; V158-M165 HydrophobicContact CG2-CE 4.36Å; V158-M165 HydrophobicContact CG2-SD 4.42Å; M165-L170 HydrophobicContact SD-CD2 4.33Å; M165-L193 HydrophobicContact CE-CD1 4.18Å; M165-L193 HydrophobicContact CE-CD2 4.1Å; M165-L193 HydrophobicContact CE-CG 4.18Å; M165-L193 HydrophobicContact SD-CD1 3.86Å; M165-L193 HydrophobicContact SD-CD2 4.42Å; M165-L193 HydrophobicContact SD-CG 4.47Å; M165-M207 HydrophobicContact CB-CE 3.67Å; M165-R211 WeakPolarHBondContact O-CD 3.48Å; M165-R211 PolarHBondContact O-NH1 3.48Å; M165-I215 HydrophobicContact CB-CD1 4.02Å; M165-I215 HydrophobicContact CG-CD1 4.13Å; M165-I215 HydrophobicContact SD-CD1 4.04Å
166I98.7Very high98.1Very high45 Ų4552.2 Ų52.223%0.23127%0.267CS..  trans-91.3117.6-178.9-61.5166.9000109.1P159 D161 D168 G169 L170P159-I166 HydrophobicContact CB-CD1 4.16Å; P159-I166 WeakPolarHBondContact O-CB 3.3Å; P159-I166 PolarHBondContact O-N 3.31Å; D161-I166 HydrophobicContact CB-CD1 4.25Å; I166-D168 VanDerWaalsContact C-N 3.34Å; I166-D168 HydrophobicContact CG2-CB 4.41Å; I166-D168 PolarHBondContact O-N 3.09Å; I166-G169 PolarHBondContact O-N 3.13Å; I166-G169 VanDerWaalsContact O-N 3.07Å; I166-L170 PolarHBondContact O-N 3.23Å
167P98.8Very high98Very high14 Ų1452.9 Ų52.99%0.09127%0.268CS..Hα-helixtrans-59.4-38.7-177.4-2533.2000114.3G169 L170 K171 R211 D214 I215P167-G169 VanDerWaalsContact C-N 3.3Å; P167-G169 PolarHBondContact O-N 3.25Å; P167-L170 WeakPolarHBondContact O-CB 3.44Å; P167-L170 PolarHBondContact O-N 3.47Å; P167-K171 WeakPolarHBondContact O-CB 3.37Å; P167-K171 PolarHBondContact O-N 3.25Å; P167-R211 HydrophobicContact CG-CB 3.86Å; P167-R211 HydrophobicContact CG-CG 3.75Å; P167-D214 HydrophobicContact CB-CB 3.74Å; P167-D214 HydrophobicContact CG-CB 3.9Å; P167-I215 HydrophobicContact CB-CG1 4.31Å; P167-I215 HydrophobicContact CG-CD1 4.38Å; P167-I215 HydrophobicContact CG-CG1 4.15Å
168D98.7Very high97.9Very high123 Ų12354 Ų5466%0.65827%0.274SS*.Hα-helixtrans-64.9-35.9176.5-72.6-31.4000112I166 K171 E172I166-D168 VanDerWaalsContact C-N 3.34Å; I166-D168 HydrophobicContact CG2-CB 4.41Å; I166-D168 PolarHBondContact O-N 3.09Å; D168-K171 PolarHBondContact O-N 3.27Å; D168-E172 WeakPolarHBondContact O-CB 3.34Å; D168-E172 PolarHBondContact O-N 3Å
169G98.6Very high97.6Very high6 Ų655.9 Ų55.96%0.06229%0.286CS..Hα-helixtrans-65.5-39.9172.600000112I166 P167 E172 V173I166-G169 PolarHBondContact O-N 3.13Å; I166-G169 VanDerWaalsContact O-N 3.07Å; P167-G169 VanDerWaalsContact C-N 3.3Å; P167-G169 PolarHBondContact O-N 3.25Å; G169-E172 PolarHBondContact O-N 2.88Å; G169-V173 WeakPolarHBondContact O-CG2 3.42Å; G169-V173 PolarHBondContact O-N 3.13Å
170L98.8Very high97.3Very high0 Ų056.2 Ų56.20%029%0.294CS..Hα-helixtrans-62.2-45173178.359.5000111.2L135 V158 M165 I166 P167 V173 L174 L193 I215 L218L135-L170 HydrophobicContact CD1-CD1 3.64Å; V158-L170 HydrophobicContact CG1-CB 3.82Å; V158-L170 HydrophobicContact CG1-CD1 4.42Å; V158-L170 HydrophobicContact CG2-CD1 3.95Å; M165-L170 HydrophobicContact SD-CD2 4.33Å; I166-L170 PolarHBondContact O-N 3.23Å; P167-L170 WeakPolarHBondContact O-CB 3.44Å; P167-L170 PolarHBondContact O-N 3.47Å; L170-V173 PolarHBondContact O-N 2.77Å; L170-L174 HydrophobicContact CD1-CD1 3.82Å; L170-L174 HydrophobicContact CD1-CG 4.06Å; L170-L174 HydrophobicContact CD2-CD1 4.46Å; L170-L174 HydrophobicContact CG-CD1 3.79Å; L170-L174 HydrophobicContact CG-CG 4.43Å; L170-L174 WeakPolarHBondContact O-CB 3.48Å; L170-L174 VanDerWaalsContact O-CG 3.32Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 2.78Å; L170-L193 HydrophobicContact CD1-CD1 3.77Å; L170-L193 HydrophobicContact CD2-CD1 3.69Å; L170-L193 HydrophobicContact CG-CD1 4.42Å; L170-I215 HydrophobicContact CD2-CB 4.22Å; L170-I215 HydrophobicContact CD2-CG1 3.93Å; L170-I215 HydrophobicContact CD2-CG2 3.83Å; L170-L218 HydrophobicContact CB-CD1 4.13Å; L170-L218 HydrophobicContact CD2-CB 4.15Å; L170-L218 HydrophobicContact CD2-CD1 3.86Å; L170-L218 HydrophobicContact CG-CD1 3.97Å
171K98.6Very high97.1Very high120 Ų12056.8 Ų56.852%0.52229%0.294SS..Hα-helixtrans-61.5-43.5177.9-176.1-179.9178.1-178.10111.8P167 D168 L174 S175 L218P167-K171 WeakPolarHBondContact O-CB 3.37Å; P167-K171 PolarHBondContact O-N 3.25Å; D168-K171 PolarHBondContact O-N 3.27Å; K171-L174 PolarHBondContact O-N 2.75Å; K171-S175 WeakPolarHBondContact O-CB 3.45Å; K171-S175 PolarHBondContact O-N 2.86Å; K171-L218 HydrophobicContact CB-CD1 4.11Å; K171-L218 HydrophobicContact CB-CD2 4.09Å; K171-L218 HydrophobicContact CG-CD2 4.16Å
172E98.6Very high96.8Very high140 Ų14054.6 Ų54.665%0.65428%0.283SS*.Hα-helixtrans-61.2-47.8175.6-175.6-177.2173.700111.3D168 G169 L174 S175D168-E172 WeakPolarHBondContact O-CB 3.34Å; D168-E172 PolarHBondContact O-N 3Å; G169-E172 PolarHBondContact O-N 2.88Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 3.49Å; E172-S175 WeakPolarHBondContact O-CB 3.34Å; E172-S175 PolarHBondContact O-N 3.5Å; E172-S175 PolarHBondContact O-OG 3.15Å
173V98.4Very high96.5Very high8 Ų857.2 Ų57.25%0.04830%0.295CS..Hα-helixtrans-58.2-46.7175.8168.70000111L135 I156 G169 L170 S175 R176 W177L135-V173 HydrophobicContact CD2-CG1 3.94Å; I156-V173 HydrophobicContact CG2-CG1 3.64Å; G169-V173 WeakPolarHBondContact O-CG2 3.42Å; G169-V173 PolarHBondContact O-N 3.13Å; L170-V173 PolarHBondContact O-N 2.77Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 3Å; V173-R176 WeakPolarHBondContact O-CD 3.24Å; V173-R176 VanDerWaalsContact O-CG 3.3Å; V173-R176 WeakPolarHBondContact O-CG 3.47Å; V173-W177 HydrophobicContact CG1-CZ3 4.42Å; V173-W177 WeakPolarHBondContact O-CZ3 3.32Å
174L98.3Very high96.2Very high0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-69-25.4-178.6-74.3171.6000113.7L135 L170 K171 E172 R176 W177 P190 L218 Y222 L224L135-L174 HydrophobicContact CD1-CD2 3.83Å; L135-L174 HydrophobicContact CD1-CG 4.32Å; L170-L174 HydrophobicContact CD1-CD1 3.82Å; L170-L174 HydrophobicContact CD1-CG 4.06Å; L170-L174 HydrophobicContact CD2-CD1 4.46Å; L170-L174 HydrophobicContact CG-CD1 3.79Å; L170-L174 HydrophobicContact CG-CG 4.43Å; L170-L174 WeakPolarHBondContact O-CB 3.48Å; L170-L174 VanDerWaalsContact O-CG 3.32Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 2.78Å; K171-L174 PolarHBondContact O-N 2.75Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 3.49Å; L174-R176 PolarHBondContact O-N 3.33Å; L174-W177 PolarHBondContact O-N 3.22Å; L174-P190 HydrophobicContact CD2-CG 4.4Å; L174-L218 HydrophobicContact CD1-CB 4.25Å; L174-Y222 HydrophobicContact CB-CD1 4.25Å; L174-Y222 HydrophobicContact CB-CD2 4.19Å; L174-Y222 HydrophobicContact CB-CE1 3.91Å; L174-Y222 HydrophobicContact CB-CE2 3.86Å; L174-Y222 HydrophobicContact CB-CG 4.38Å; L174-Y222 HydrophobicContact CD1-CD2 3.72Å; L174-Y222 HydrophobicContact CD1-CE2 4.06Å; L174-Y222 HydrophobicContact CD1-CG 4.08Å; L174-Y222 HydrophobicContact CD2-CD1 4.1Å; L174-Y222 HydrophobicContact CD2-CD2 4.49Å; L174-Y222 HydrophobicContact CD2-CG 4.05Å; L174-Y222 HydrophobicContact CG-CD2 4.36Å; L174-Y222 HydrophobicContact CG-CE2 4.5Å; L174-Y222 HydrophobicContact CG-CG 4.41Å; L174-Y222 WeakPolarHBondContact O-CE1 3.35Å; L174-L224 HydrophobicContact CD1-CD1 4.2Å; L174-L224 HydrophobicContact CD2-CD1 4.23Å
175S97.6Very high95.6Very high80 Ų8064.1 Ų64.156%0.55933%0.333SS*.THydrogen-bonded Turntrans-61.3-11.1179.575.30000114.7K171 E172 V173 W177K171-S175 WeakPolarHBondContact O-CB 3.45Å; K171-S175 PolarHBondContact O-N 2.86Å; E172-S175 WeakPolarHBondContact O-CB 3.34Å; E172-S175 PolarHBondContact O-N 3.5Å; E172-S175 PolarHBondContact O-OG 3.15Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 3Å; S175-W177 PolarHBondContact O-N 3.48Å
176R96.7Very high95Very high165 Ų16573.2 Ų73.262%0.62338%0.375SS*.THydrogen-bonded Turntrans-68.6-11172.4-59172.4-169.8174.93.7113.2V173 L174V173-R176 WeakPolarHBondContact O-CD 3.24Å; V173-R176 VanDerWaalsContact O-CG 3.3Å; V173-R176 WeakPolarHBondContact O-CG 3.47Å; L174-R176 PolarHBondContact O-N 3.33Å
177W97.1Very high94.8Very high37 Ų3772.8 Ų72.814%0.1438%0.376CS..SBendtrans-127.4150-179.9-62.7-80000111.7I156 V173 L174 S175 T188 V189 P190I156-W177 HydrophobicContact CD1-CH2 3.78Å; I156-W177 HydrophobicContact CD1-CZ2 4.43Å; V173-W177 HydrophobicContact CG1-CZ3 4.42Å; V173-W177 WeakPolarHBondContact O-CZ3 3.32Å; L174-W177 PolarHBondContact O-N 3.22Å; S175-W177 PolarHBondContact O-N 3.48Å; W177-T188 PolarHBondContact NE1-O 3.37Å; W177-T188 PolarHBondContact NE1-OG1 3.34Å; W177-V189 HydrophobicContact CB-CB 4.49Å; W177-V189 HydrophobicContact CB-CG1 4.38Å; W177-V189 HydrophobicContact CB-CG2 3.7Å; W177-V189 HydrophobicContact CG-CB 4.34Å; W177-V189 HydrophobicContact CG-CG1 4.48Å; W177-V189 HydrophobicContact CG-CG2 3.82Å; W177-P190 HydrophobicContact CE3-CG 4.21Å; W177-P190 HydrophobicContact CH2-CG 3.84Å; W177-P190 HydrophobicContact CZ2-CG 4.28Å; W177-P190 HydrophobicContact CZ3-CG 3.79Å
178D95.1Very high94.6Very high90 Ų9076.3 Ų76.348%0.48140%0.398SS..  trans-83.9127.1166.2-171.2-26.8000109.1A180 D181D178-A180 PolarHBondContact O-N 3.3Å; D178-A180 VanDerWaalsContact O-N 3.08Å; D178-A180 VanDerWaalsContact OD1-CB 3.32Å; D178-A180 WeakPolarHBondContact OD1-CB 3.28Å; D178-A180 PolarHBondContact OD1-N 3.21Å; D178-D181 VanDerWaalsContact O-CB 3.28Å; D178-D181 WeakPolarHBondContact O-CB 3.2Å; D178-D181 PolarHBondContact O-N 3.01Å
179P93Very high94.5Very high40 Ų4070.7 Ų70.726%0.2637%0.368SS..G310 helixtrans-50.6-28.5170.8-28.535.3000114.5D181 V182 Q221 Y222P179-D181 PolarHBondContact O-N 2.97Å; P179-V182 VanDerWaalsContact O-CB 3.26Å; P179-V182 WeakPolarHBondContact O-CB 3.43Å; P179-V182 WeakPolarHBondContact O-CG2 3.27Å; P179-V182 PolarHBondContact O-N 3.42Å; P179-Q221 HydrophobicContact CG-CG 4.16Å; P179-Y222 HydrophobicContact CG-CD1 4.09Å; P179-Y222 HydrophobicContact CG-CE1 3.68Å; P179-Y222 HydrophobicContact CG-CE2 4.32Å
180A92.7Very high94.4Very high64 Ų6470.4 Ų70.453%0.52937%0.365SS..G310 helixtrans-67.9-17.4175.400000113.4D178 V182D178-A180 PolarHBondContact O-N 3.3Å; D178-A180 VanDerWaalsContact O-N 3.08Å; D178-A180 VanDerWaalsContact OD1-CB 3.32Å; D178-A180 WeakPolarHBondContact OD1-CB 3.28Å; D178-A180 PolarHBondContact OD1-N 3.21Å; A180-V182 VanDerWaalsContact C-N 3.32Å
181D93.5Very high94.2Very high46 Ų4673 Ų7325%0.24637%0.374CS..G310 helixtrans-80.8-12.4178.5-65.2-22.9000113.1D178 P179 H183 K184 S187 V189D178-D181 VanDerWaalsContact O-CB 3.28Å; D178-D181 WeakPolarHBondContact O-CB 3.2Å; D178-D181 PolarHBondContact O-N 3.01Å; P179-D181 PolarHBondContact O-N 2.97Å; D181-H183 PolarHBondContact O-N 3.29Å; D181-H183 VanDerWaalsContact O-N 3.08Å; D181-K184 HydrophobicContact CB-CD 4.33Å; D181-K184 PolarHBondContact O-N 2.85Å; D181-K184 VanDerWaalsContact OD1-CD 3.3Å; D181-K184 WeakPolarHBondContact OD1-CD 3.49Å; D181-K184 WeakPolarHBondContact OD1-CE 3.5Å; D181-K184 IonicContact OD1-NZ 2.63Å; D181-K184 PolarHBondContact OD1-NZ 3.33Å; D181-S187 WeakPolarHBondContact O-CB 3.48Å; D181-S187 PolarHBondContact O-OG 3.14Å; D181-V189 HydrophobicContact CB-CG2 4.06Å
182V90.9Very high94.1Very high6 Ų667.4 Ų67.44%0.03635%0.35CS..G310 helixtrans-50.2-38.2-177163.80000112.8R5 P179 A180 V189 Y222 D223R5-V182 VanDerWaalsContact CZ-O 3.28Å; R5-V182 PolarHBondContact NE-O 3.14Å; R5-V182 VanDerWaalsContact NH2-CG1 3.31Å; R5-V182 PolarHBondContact NH2-O 3.03Å; P179-V182 VanDerWaalsContact O-CB 3.26Å; P179-V182 WeakPolarHBondContact O-CB 3.43Å; P179-V182 WeakPolarHBondContact O-CG2 3.27Å; P179-V182 PolarHBondContact O-N 3.42Å; A180-V182 VanDerWaalsContact C-N 3.32Å; V182-V189 HydrophobicContact CG2-CB 4.35Å; V182-V189 HydrophobicContact CG2-CG1 3.98Å; V182-V189 HydrophobicContact CG2-CG2 4.34Å; V182-Y222 WeakPolarHBondContact CG2-O 3.44Å; V182-D223 HydrophobicContact CG1-CB 3.55Å
183H88.6Confident94.1Very high137 Ų13760.7 Ų60.763%0.63432%0.319SS*.G310 helixtrans-102.63.3-176.4-58.5-50.5000114.2D181 D223D181-H183 PolarHBondContact O-N 3.29Å; D181-H183 VanDerWaalsContact O-N 3.08Å; H183-D223 IonicContact CE1-OD2 3.98Å
184K91.3Very high94.2Very high114 Ų11460.3 Ų60.350%0.49632%0.317SS..SBendtrans-73.9145.9178-67.6-176.4-175170.10110.8D181 H186 S187D181-K184 HydrophobicContact CB-CD 4.33Å; D181-K184 PolarHBondContact O-N 2.85Å; D181-K184 VanDerWaalsContact OD1-CD 3.3Å; D181-K184 WeakPolarHBondContact OD1-CD 3.49Å; D181-K184 WeakPolarHBondContact OD1-CE 3.5Å; D181-K184 IonicContact OD1-NZ 2.63Å; D181-K184 PolarHBondContact OD1-NZ 3.33Å; K184-H186 PolarHBondContact O-N 3.26Å; K184-S187 VanDerWaalsContact O-CB 3.22Å; K184-S187 WeakPolarHBondContact O-CB 3.43Å; K184-S187 PolarHBondContact O-N 2.86Å
185P85.7Confident94.2Very high112 Ų11260.4 Ų60.473%0.72732%0.317SS*.THydrogen-bonded Turntrans-54.5140.6168.7-23.733.8000110.8S187P185-S187 PolarHBondContact O-N 3.02Å; P185-S187 VanDerWaalsContact O-N 3.16Å
186H86.3Confident94.3Very high190 Ų19057.1 Ų57.188%0.8829%0.293SS*.THydrogen-bonded Turntrans59.620-178.8-48.1-71.6000115.1K184 T188K184-H186 PolarHBondContact O-N 3.26Å; H186-T188 PolarHBondContact O-N 3.35Å
187S92.8Very high94.3Very high36 Ų3649.3 Ų49.325%0.25226%0.264SS..  trans-55.3130.8173.3-176.50000111.6D181 K184 P185 V189D181-S187 WeakPolarHBondContact O-CB 3.48Å; D181-S187 PolarHBondContact O-OG 3.14Å; K184-S187 VanDerWaalsContact O-CB 3.22Å; K184-S187 WeakPolarHBondContact O-CB 3.43Å; K184-S187 PolarHBondContact O-N 2.86Å; P185-S187 PolarHBondContact O-N 3.02Å; P185-S187 VanDerWaalsContact O-N 3.16Å; S187-V189 WeakPolarHBondContact OG-CG2 3.35Å; S187-V189 PolarHBondContact OG-N 2.78Å
188T94.9Very high94.4Very high89 Ų8947.5 Ų47.555%0.54626%0.257SS..  trans-95.94.5174.259.50000112.6N133 W177 H186N133-T188 PolarHBondContact ND2-O 3.34Å; W177-T188 PolarHBondContact NE1-O 3.37Å; W177-T188 PolarHBondContact NE1-OG1 3.34Å; H186-T188 PolarHBondContact O-N 3.35Å
189V96.4Very high94.5Very high5 Ų543.2 Ų43.23%0.0323%0.234CC..SBendtrans-57.3130.5177.2-1750000108W177 D181 V182 S187 Y222W177-V189 HydrophobicContact CB-CB 4.49Å; W177-V189 HydrophobicContact CB-CG1 4.38Å; W177-V189 HydrophobicContact CB-CG2 3.7Å; W177-V189 HydrophobicContact CG-CB 4.34Å; W177-V189 HydrophobicContact CG-CG1 4.48Å; W177-V189 HydrophobicContact CG-CG2 3.82Å; D181-V189 HydrophobicContact CB-CG2 4.06Å; V182-V189 HydrophobicContact CG2-CB 4.35Å; V182-V189 HydrophobicContact CG2-CG1 3.98Å; V182-V189 HydrophobicContact CG2-CG2 4.34Å; S187-V189 WeakPolarHBondContact OG-CG2 3.35Å; S187-V189 PolarHBondContact OG-N 2.78Å; V189-Y222 HydrophobicContact CG1-CD1 4.29Å
190P96.6Very high94.7Very high0 Ų041.7 Ų41.70%023%0.226CC..  trans-51.1147.9176.5-25.132.4000111.1N133 L135 L174 W177 L224N133-P190 HydrophobicContact CB-CB 4.18Å; N133-P190 HydrophobicContact CB-CG 3.92Å; N133-P190 WeakPolarHBondContact O-CA 3.47Å; L135-P190 HydrophobicContact CD1-CB 3.97Å; L135-P190 HydrophobicContact CD1-CG 4.22Å; L135-P190 HydrophobicContact CD2-CB 4.03Å; L135-P190 HydrophobicContact CD2-CG 3.8Å; L135-P190 HydrophobicContact CG-CB 3.74Å; L135-P190 HydrophobicContact CG-CG 4.06Å; L174-P190 HydrophobicContact CD2-CG 4.4Å; W177-P190 HydrophobicContact CE3-CG 4.21Å; W177-P190 HydrophobicContact CH2-CG 3.84Å; W177-P190 HydrophobicContact CZ2-CG 4.28Å; W177-P190 HydrophobicContact CZ3-CG 3.79Å; P190-L224 HydrophobicContact CB-CD2 4.25Å; P190-L224 WeakPolarHBondContact O-CD2 3.36Å
191R94.2Very high94.9Very high53 Ų5339 Ų3920%0.220%0.202CC..  trans-115.4-17.6-180-65.8-169.9-72.1-146.5-9.5113.2R5 F6 N129 D132 L225R5-R191 PolarHBondContact O-NH1 3.33Å; F6-R191 HydrophobicContact CD1-CB 4.06Å; F6-R191 HydrophobicContact CE1-CB 4.27Å; N129-R191 PolarHBondContact ND2-NH2 3.5Å; D132-R191 IonicContact OD1-CZ 3.69Å; D132-R191 IonicContact OD1-NH2 2.66Å; D132-R191 PolarHBondContact OD1-NH2 3.3Å; D132-R191 IonicContact OD2-CZ 2.79Å; D132-R191 IonicContact OD2-NE 3.82Å; D132-R191 IonicContact OD2-NH2 2.98Å; D132-R191 PolarHBondContact OD2-NH2 3.11Å; R191-L225 PolarHBondContact O-N 3.34Å
192V97.9Very high95.2Very high3 Ų336.8 Ų36.82%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-136.2129.3-170.4-179.50000108.8L127 V134 L135 L225 I227L127-V192 HydrophobicContact CB-CG2 3.92Å; L127-V192 HydrophobicContact CD1-CG2 4.02Å; V134-V192 HydrophobicContact CG1-CB 4.49Å; V134-V192 HydrophobicContact CG1-CG1 4.37Å; L135-V192 PolarHBondContact N-O 2.91Å; V192-L225 WeakPolarHBondContact CA-O 3.5Å; V192-I227 HydrophobicContact CG1-CD1 3.33Å; V192-I227 HydrophobicContact CG1-CG1 3.9Å
193L98.9Very high95.5Very high0 Ų037.8 Ų37.80%020%0.197CC..EExtended strand (participates in β ladder)trans-113126.3165.6-178.2149000108.3L135 M165 L170 T195 I215 L225 I226 I227L135-L193 HydrophobicContact CB-CB 4.23Å; L135-L193 HydrophobicContact CB-CD1 4.34Å; L135-L193 HydrophobicContact CB-CG 4.22Å; L135-L193 HydrophobicContact CD1-CD1 4.43Å; L135-L193 CarbonylContact O-C 3.43Å; L135-L193 WeakPolarHBondContact O-CA 3.41Å; M165-L193 HydrophobicContact CE-CD1 4.18Å; M165-L193 HydrophobicContact CE-CD2 4.1Å; M165-L193 HydrophobicContact CE-CG 4.18Å; M165-L193 HydrophobicContact SD-CD1 3.86Å; M165-L193 HydrophobicContact SD-CD2 4.42Å; M165-L193 HydrophobicContact SD-CG 4.47Å; L170-L193 HydrophobicContact CD1-CD1 3.77Å; L170-L193 HydrophobicContact CD2-CD1 3.69Å; L170-L193 HydrophobicContact CG-CD1 4.42Å; L193-T195 HydrophobicContact CD2-CG2 4.25Å; L193-I215 HydrophobicContact CD1-CG2 4.27Å; L193-L225 PolarHBondContact N-O 2.75Å; L193-I226 HydrophobicContact CB-CG1 4.47Å; L193-I226 HydrophobicContact CD2-CG1 4.35Å; L193-I226 HydrophobicContact CD2-CG2 3.94Å; L193-I226 CarbonylContact O-C 3.56Å; L193-I226 WeakPolarHBondContact O-CA 3.48Å; L193-I227 PolarHBondContact O-N 3.47Å
194Y98.9Very high96Very high0 Ų031.4 Ų31.40%017%0.168CC..EExtended strand (participates in β ladder)trans-107.9138.5173.7166.6-87.9000109.6L120 F124 L135 L136 T144 I196 I227 D229L120-Y194 HydrophobicContact CD1-CD2 4.16Å; L120-Y194 HydrophobicContact CD1-CE2 3.92Å; L120-Y194 HydrophobicContact CD2-CE2 3.88Å; L120-Y194 HydrophobicContact CG-CE2 4.5Å; F124-Y194 HydrophobicContact CE1-CD2 4Å; F124-Y194 AromaticContact CZ-CD2 3.76Å; F124-Y194 HydrophobicContact CZ-CD2 3.76Å; F124-Y194 HydrophobicContact CZ-CE2 4.04Å; F124-Y194 HydrophobicContact CZ-CG 4.43Å; L135-Y194 PolarHBondContact O-N 3.31Å; L136-Y194 WeakPolarHBondContact CA-O 3.42Å; L136-Y194 HydrophobicContact CB-CD1 4.08Å; T144-Y194 HydrophobicContact CG2-CD1 3.97Å; T144-Y194 HydrophobicContact CG2-CD2 4.27Å; T144-Y194 HydrophobicContact CG2-CE1 3.66Å; T144-Y194 HydrophobicContact CG2-CE2 3.94Å; T144-Y194 HydrophobicContact CG2-CG 4.26Å; T144-Y194 PolarHBondContact OG1-OH 3.2Å; Y194-I196 HydrophobicContact CE1-CG1 4.08Å; Y194-I196 WeakPolarHBondContact OH-CD1 3.42Å; Y194-I196 VanDerWaalsContact OH-CG1 3.26Å; Y194-I196 WeakPolarHBondContact OH-CG1 3.3Å; Y194-I227 HydrophobicContact CD2-CB 4.27Å; Y194-I227 HydrophobicContact CD2-CG2 4Å; Y194-D229 HydrophobicContact CD2-CB 4.47Å; Y194-D229 HydrophobicContact CE2-CB 3.56Å; Y194-D229 PolarHBondContact OH-OD2 2.93Å
195T98.8Very high96.3Very high1 Ų126.5 Ų26.51%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-153.8157172-166.50000111.8D137 L193 M207 I227 D229 F245D137-T195 PolarHBondContact OD1-OG1 3.44Å; L193-T195 HydrophobicContact CD2-CG2 4.25Å; T195-M207 HydrophobicContact CG2-CE 4.42Å; T195-I227 PolarHBondContact N-O 3.21Å; T195-I227 VanDerWaalsContact N-O 3.13Å; T195-D229 PolarHBondContact O-N 3.36Å; T195-F245 HydrophobicContact CG2-CE2 3.98Å
196I98.8Very high96.9Very high11 Ų1121.9 Ų21.96%0.05612%0.119CC..  trans-108.894170.4-54171.2000107.1Y194 N198 N201 D229 Y232Y194-I196 HydrophobicContact CE1-CG1 4.08Å; Y194-I196 WeakPolarHBondContact OH-CD1 3.42Å; Y194-I196 VanDerWaalsContact OH-CG1 3.26Å; Y194-I196 WeakPolarHBondContact OH-CG1 3.3Å; I196-N198 VanDerWaalsContact C-N 3.31Å; I196-N198 PolarHBondContact O-N 2.92Å; I196-N201 HydrophobicContact CD1-CB 4.47Å; I196-D229 WeakPolarHBondContact CA-O 3.19Å; I196-D229 HydrophobicContact CG1-CB 4.45Å; I196-D229 WeakPolarHBondContact CG2-O 3.29Å; I196-Y232 HydrophobicContact CG2-CD2 4.26Å
197P98.3Very high97.4Very high1 Ų113 Ų131%0.0068%0.078CC..  trans-75.8-16.6-164.733.1-40.2000114S206 M207 E228 D229 D230 F245P197-S206 CarbonylContact O-C 3.58Å; P197-S206 WeakPolarHBondContact O-CA 3.42Å; P197-M207 PolarHBondContact O-N 3.13Å; P197-E228 HydrophobicContact CG-CG 3.73Å; P197-D229 WeakPolarHBondContact CD-O 3.18Å; P197-D230 HydrophobicContact CG-CB 4.2Å; P197-F245 HydrophobicContact CB-CE2 4.49Å
198N98.4Very high97.6Very high0 Ų015 Ų150%09%0.085CC..SBendtrans-127.2129.5179.2-59.8-61.9000109.9I196 G200 S206 D230 Y232 Q236 A351I196-N198 VanDerWaalsContact C-N 3.31Å; I196-N198 PolarHBondContact O-N 2.92Å; N198-G200 VanDerWaalsContact C-N 3.25Å; N198-G200 PolarHBondContact O-N 3.08Å; N198-S206 WeakPolarHBondContact CA-OG 3.45Å; N198-D230 WeakPolarHBondContact CB-OD1 3.28Å; N198-D230 PolarHBondContact ND2-OD1 3.18Å; N198-D230 PolarHBondContact ND2-OD2 3.35Å; N198-Y232 WeakPolarHBondContact O-CB 3.35Å; N198-Q236 HydrophobicContact CB-CG 4.24Å; N198-A351 HydrophobicContact CB-CB 4.32Å
199G97.8Very high97.7Very high0 Ų012.9 Ų12.90%07%0.072CC..SBendtrans55.742.3173.200000112.4N201 A205 S206 Y232 A351G199-N201 PolarHBondContact O-N 3.26Å; G199-A205 WeakPolarHBondContact CA-O 3.45Å; G199-A205 PolarHBondContact N-O 3.26Å; G199-S206 PolarHBondContact N-OG 3.43Å; G199-Y232 WeakPolarHBondContact O-CD2 3.48Å; G199-A351 WeakPolarHBondContact CA-O 3.47Å
200G96.6Very high97.8Very high7 Ų717.3 Ų17.37%0.0729%0.092CC..  trans-44.4129.1-171.200000111.9N198 P202 T203 G204 A205N198-G200 VanDerWaalsContact C-N 3.25Å; N198-G200 PolarHBondContact O-N 3.08Å; G200-P202 CarbonylContact O-C 3.55Å; G200-T203 PolarHBondContact O-N 2.79Å; G200-T203 PolarHBondContact O-OG1 3.45Å; G200-G204 PolarHBondContact O-N 2.87Å; G200-A205 PolarHBondContact N-O 3.41Å
201N98.2Very high97.9Very high7 Ų719 Ų194%0.03710%0.098CC..THydrogen-bonded Turntrans-87.4111.6176.6-179.33.6000108.1T140 Y141 I196 G199 Y232 F354 R398T140-N201 CarbonylContact C-O 3.45Å; Y141-N201 WeakPolarHBondContact CA-O 3.36Å; Y141-N201 WeakPolarHBondContact CD2-ND2 3.4Å; Y141-N201 PolarHBondContact N-O 3.01Å; I196-N201 HydrophobicContact CD1-CB 4.47Å; G199-N201 PolarHBondContact O-N 3.26Å; N201-Y232 HydrophobicContact CB-CE2 4.13Å; N201-F354 HydrophobicContact CB-CD2 4.11Å; N201-F354 HydrophobicContact CB-CE2 3.91Å; N201-F354 VanDerWaalsContact CG-CE2 3.41Å; N201-R398 PolarHBondContact ND2-NH1 3.47Å; N201-R398 PolarHBondContact OD1-NH1 2.94Å
202P98.4Very high98.1Very high0 Ų016.4 Ų16.40%09%0.089CC..THydrogen-bonded Turncis-104.7-10.323.639.9-39.8000117P139 G200 G204 W356 F386 R398P139-P202 HydrophobicContact CB-CG 3.77Å; P139-P202 HydrophobicContact CG-CG 4.02Å; G200-P202 CarbonylContact O-C 3.55Å; P202-G204 PolarHBondContact O-N 3.41Å; P202-W356 HydrophobicContact CB-CD2 4.24Å; P202-W356 HydrophobicContact CB-CE3 3.7Å; P202-W356 HydrophobicContact CB-CH2 4.29Å; P202-W356 HydrophobicContact CB-CZ3 3.75Å; P202-W356 HydrophobicContact CG-CD2 4.05Å; P202-W356 HydrophobicContact CG-CE3 3.87Å; P202-W356 HydrophobicContact CG-CH2 3.77Å; P202-W356 HydrophobicContact CG-CZ2 4Å; P202-W356 HydrophobicContact CG-CZ3 3.75Å; P202-F386 HydrophobicContact CB-CD1 3.96Å; P202-F386 HydrophobicContact CB-CD2 3.84Å; P202-F386 HydrophobicContact CB-CE1 4.07Å; P202-F386 HydrophobicContact CB-CE2 3.94Å; P202-F386 HydrophobicContact CB-CG 3.85Å; P202-F386 HydrophobicContact CB-CZ 4.07Å; P202-F386 HydrophobicContact CG-CB 3.74Å; P202-F386 HydrophobicContact CG-CD1 3.99Å; P202-F386 HydrophobicContact CG-CD2 3.8Å; P202-F386 HydrophobicContact CG-CE2 4.41Å; P202-F386 HydrophobicContact CG-CG 3.56Å; P202-R398 HydrophobicContact CB-CB 4.11Å; P202-R398 HydrophobicContact CB-CG 3.81Å
203T98.3Very high98.2Very high28 Ų2822.9 Ų22.917%0.17211%0.113CC..THydrogen-bonded Turntrans-65.9-27.2-164.362.60000116.2P139 G200 A205P139-T203 HydrophobicContact CG-CG2 3.61Å; G200-T203 PolarHBondContact O-N 2.79Å; G200-T203 PolarHBondContact O-OG1 3.45Å; T203-A205 PolarHBondContact O-N 3.48Å; T203-A205 VanDerWaalsContact OG1-CB 3.29Å; T203-A205 WeakPolarHBondContact OG1-CB 3.33Å; T203-A205 PolarHBondContact OG1-N 2.84Å; T203-A205 VanDerWaalsContact OG1-N 3.12Å
204G98.1Very high98.2Very high2 Ų225.9 Ų25.92%0.02113%0.129CC..  trans71.15.5-166.800000114G200 P202 P349 A350G200-G204 PolarHBondContact O-N 2.87Å; P202-G204 PolarHBondContact O-N 3.41Å; G204-P349 WeakPolarHBondContact O-CA 3.26Å; G204-A350 PolarHBondContact O-N 2.91Å; G204-A350 VanDerWaalsContact O-N 3.14Å
205A97.7Very high98.2Very high11 Ų1126 Ų269%0.09113%0.129CC..  trans-74.4145.9-177.800000111.5G199 G200 T203G199-A205 WeakPolarHBondContact CA-O 3.45Å; G199-A205 PolarHBondContact N-O 3.26Å; G200-A205 PolarHBondContact N-O 3.41Å; T203-A205 PolarHBondContact O-N 3.48Å; T203-A205 VanDerWaalsContact OG1-CB 3.29Å; T203-A205 WeakPolarHBondContact OG1-CB 3.33Å; T203-A205 PolarHBondContact OG1-N 2.84Å; T203-A205 VanDerWaalsContact OG1-N 3.12Å
206S98.3Very high98.2Very high16 Ų1626.1 Ų26.111%0.11213%0.13CC..  trans-125.9136.8173.7-62.90000110.4H163 P197 N198 G199H163-S206 CarbonylContact C-O 3.54Å; H163-S206 WeakPolarHBondContact CA-O 3.22Å; P197-S206 CarbonylContact O-C 3.58Å; P197-S206 WeakPolarHBondContact O-CA 3.42Å; N198-S206 WeakPolarHBondContact CA-OG 3.45Å; G199-S206 PolarHBondContact N-OG 3.43Å
207M98Very high98.2Very high3 Ų330.2 Ų30.22%0.01515%0.149CC..  trans-77.3124.3-179-167-177.2-62.200111.2H163 M165 T195 P197 R211 K212 I215 F245H163-M207 WeakPolarHBondContact O-CA 3.48Å; M165-M207 HydrophobicContact CB-CE 3.67Å; T195-M207 HydrophobicContact CG2-CE 4.42Å; P197-M207 PolarHBondContact O-N 3.13Å; M207-R211 HydrophobicContact CG-CB 3.73Å; M207-R211 HydrophobicContact SD-CB 4.23Å; M207-K212 HydrophobicContact CB-CG 4.26Å; M207-K212 HydrophobicContact CG-CG 3.82Å; M207-K212 VanDerWaalsContact O-CE 3.3Å; M207-K212 WeakPolarHBondContact O-CE 3.46Å; M207-K212 HydrophobicContact SD-CB 4.32Å; M207-K212 HydrophobicContact SD-CG 3.47Å; M207-K212 WeakPolarHBondContact SD-CG 3.46Å; M207-I215 HydrophobicContact CE-CD1 3.7Å; M207-I215 HydrophobicContact SD-CD1 3.52Å; M207-I215 VanDerWaalsContact SD-CD1 3.52Å; M207-F245 HydrophobicContact CE-CE2 4.4Å; M207-F245 HydrophobicContact CE-CZ 4.35Å; M207-F245 HydrophobicContact SD-CE2 3.97Å; M207-F245 HydrophobicContact SD-CZ 3.68Å
208I96.5Very high98.2Very high78 Ų7830.9 Ų30.940%0.415%0.152SC..  trans-72154.6176.763.1172.6000111.7H163 Q210 R211 K212H163-I208 HydrophobicContact CB-CG2 4.36Å; I208-Q210 VanDerWaalsContact C-N 3.28Å; I208-Q210 PolarHBondContact O-N 3.25Å; I208-R211 HydrophobicContact CD1-CG 4.2Å; I208-R211 HydrophobicContact CG1-CB 4.13Å; I208-R211 HydrophobicContact CG1-CG 3.73Å; I208-R211 PolarHBondContact O-N 3.27Å; I208-R211 VanDerWaalsContact O-N 3.09Å; I208-K212 PolarHBondContact O-N 3.35Å
209T97.5Very high98.2Very high44 Ų4430.9 Ų30.927%0.2715%0.152SC..Hα-helixtrans-51.8-43-176.6-50.70000113.6R211 K212 R213 P243T209-R211 PolarHBondContact O-N 3.49Å; T209-K212 PolarHBondContact O-N 3.01Å; T209-R213 WeakPolarHBondContact O-CG 3.41Å; T209-R213 PolarHBondContact O-N 3.41Å; T209-R213 VanDerWaalsContact O-N 3.11Å; T209-P243 HydrophobicContact CG2-CG 4Å; T209-P243 WeakPolarHBondContact OG1-CD 3.31Å
210Q98.1Very high98.1Very high99 Ų9935.6 Ų35.646%0.46317%0.17SC..Hα-helixtrans-62.6-44.3-178.3-172.757.14600111.3I208 K212 R213 D214I208-Q210 VanDerWaalsContact C-N 3.28Å; I208-Q210 PolarHBondContact O-N 3.25Å; Q210-K212 PolarHBondContact O-N 3.31Å; Q210-R213 WeakPolarHBondContact O-CB 3.1Å; Q210-R213 PolarHBondContact O-N 3.45Å; Q210-R213 VanDerWaalsContact O-N 3.13Å; Q210-D214 PolarHBondContact NE2-OD1 2.82Å; Q210-D214 VanDerWaalsContact O-CG 3.23Å; Q210-D214 PolarHBondContact O-N 2.84Å
211R98.4Very high98.2Very high34 Ų3440.5 Ų40.513%0.12819%0.191CC..Hα-helixtrans-62.9-40.5177.4-69-173.7170.4-168.46.9112.3D161 H163 G164 M165 P167 M207 I208 T209 R213 D214 I215D161-R211 IonicContact OD1-CZ 3.71Å; D161-R211 IonicContact OD1-NH1 2.72Å; D161-R211 PolarHBondContact OD1-NH1 3.04Å; D161-R211 IonicContact OD1-NH2 3.56Å; D161-R211 PolarHBondContact OD1-NH2 3.2Å; D161-R211 IonicContact OD2-CZ 3.6Å; D161-R211 IonicContact OD2-NH1 3.34Å; D161-R211 IonicContact OD2-NH2 2.79Å; D161-R211 PolarHBondContact OD2-NH2 2.94Å; H163-R211 WeakPolarHBondContact O-CD 3.43Å; H163-R211 PolarHBondContact O-NH1 2.82Å; G164-R211 PolarHBondContact O-NH1 3.41Å; M165-R211 WeakPolarHBondContact O-CD 3.48Å; M165-R211 PolarHBondContact O-NH1 3.48Å; P167-R211 HydrophobicContact CG-CB 3.86Å; P167-R211 HydrophobicContact CG-CG 3.75Å; M207-R211 HydrophobicContact CG-CB 3.73Å; M207-R211 HydrophobicContact SD-CB 4.23Å; I208-R211 HydrophobicContact CD1-CG 4.2Å; I208-R211 HydrophobicContact CG1-CB 4.13Å; I208-R211 HydrophobicContact CG1-CG 3.73Å; I208-R211 PolarHBondContact O-N 3.27Å; I208-R211 VanDerWaalsContact O-N 3.09Å; T209-R211 PolarHBondContact O-N 3.49Å; R211-R213 VanDerWaalsContact C-N 3.3Å; R211-R213 PolarHBondContact O-N 3.12Å; R211-D214 PolarHBondContact O-N 3.3Å; R211-I215 WeakPolarHBondContact O-CB 3.13Å; R211-I215 WeakPolarHBondContact O-CD1 3.46Å; R211-I215 VanDerWaalsContact O-CG1 3.27Å; R211-I215 WeakPolarHBondContact O-CG1 3.46Å; R211-I215 PolarHBondContact O-N 2.92Å
212K98.8Very high98.1Very high0 Ų041 Ų410%019%0.192CC..Hα-helixtrans-58.6-42.1174.2-66.9-176.3-174.1-1770111.6M207 I208 T209 Q210 Y216 P243 F245 M248M207-K212 HydrophobicContact CB-CG 4.26Å; M207-K212 HydrophobicContact CG-CG 3.82Å; M207-K212 VanDerWaalsContact O-CE 3.3Å; M207-K212 WeakPolarHBondContact O-CE 3.46Å; M207-K212 HydrophobicContact SD-CB 4.32Å; M207-K212 HydrophobicContact SD-CG 3.47Å; M207-K212 WeakPolarHBondContact SD-CG 3.46Å; I208-K212 PolarHBondContact O-N 3.35Å; T209-K212 PolarHBondContact O-N 3.01Å; Q210-K212 PolarHBondContact O-N 3.31Å; K212-Y216 VanDerWaalsContact O-CB 3.28Å; K212-Y216 WeakPolarHBondContact O-CB 3.3Å; K212-Y216 PolarHBondContact O-N 2.83Å; K212-P243 WeakPolarHBondContact CD-O 3.38Å; K212-P243 WeakPolarHBondContact CE-O 3.49Å; K212-P243 PolarHBondContact NZ-O 2.94Å; K212-F245 HydrophobicContact CB-CD1 4.3Å; K212-F245 HydrophobicContact CB-CE1 3.91Å; K212-F245 HydrophobicContact CB-CE2 4.47Å; K212-F245 HydrophobicContact CB-CZ 4.01Å; K212-F245 HydrophobicContact CD-CD2 4.47Å; K212-F245 HydrophobicContact CD-CE2 4.41Å; K212-F245 HydrophobicContact CG-CD2 4.43Å; K212-F245 HydrophobicContact CG-CE1 4.29Å; K212-F245 HydrophobicContact CG-CE2 3.96Å; K212-F245 HydrophobicContact CG-CZ 3.89Å; K212-F245 WeakPolarHBondContact O-CE1 3.44Å; K212-M248 HydrophobicContact CB-CE 3.83Å; K212-M248 HydrophobicContact CB-SD 4.27Å
213R98.6Very high98.1Very high138 Ų13842 Ų4252%0.52120%0.198SC..Hα-helixtrans-64.1-47.9176.5-68.9176.6179.5-179.7-1.1111.9T209 Q210 R211 I215 Y216 E217 M248T209-R213 WeakPolarHBondContact O-CG 3.41Å; T209-R213 PolarHBondContact O-N 3.41Å; T209-R213 VanDerWaalsContact O-N 3.11Å; Q210-R213 WeakPolarHBondContact O-CB 3.1Å; Q210-R213 PolarHBondContact O-N 3.45Å; Q210-R213 VanDerWaalsContact O-N 3.13Å; R211-R213 VanDerWaalsContact C-N 3.3Å; R211-R213 PolarHBondContact O-N 3.12Å; R213-I215 VanDerWaalsContact C-N 3.35Å; R213-I215 PolarHBondContact O-N 3.1Å; R213-Y216 WeakPolarHBondContact O-CB 3.26Å; R213-Y216 PolarHBondContact O-N 2.89Å; R213-E217 PolarHBondContact O-N 3.11Å; R213-M248 HydrophobicContact CG-CE 4.2Å; R213-M248 HydrophobicContact CG-SD 4.07Å
214D98.8Very high98.1Very high64 Ų6440.7 Ų40.734%0.34219%0.19SC..Hα-helixtrans-64.2-41.5-178.4-58.2-25.1000111.3P167 Q210 R211 E217 L218P167-D214 HydrophobicContact CB-CB 3.74Å; P167-D214 HydrophobicContact CG-CB 3.9Å; Q210-D214 PolarHBondContact NE2-OD1 2.82Å; Q210-D214 VanDerWaalsContact O-CG 3.23Å; Q210-D214 PolarHBondContact O-N 2.84Å; R211-D214 PolarHBondContact O-N 3.3Å; D214-E217 PolarHBondContact O-N 3.18Å; D214-L218 WeakPolarHBondContact O-CG 3.27Å; D214-L218 PolarHBondContact O-N 2.9Å
215I98.9Very high98.1Very high1 Ų140.6 Ų40.61%0.00519%0.189CC..Hα-helixtrans-65.7-39.9174.4-70.4162.3000111.1M165 P167 L170 L193 M207 R211 R213 L218 A219 I226 F245M165-I215 HydrophobicContact CB-CD1 4.02Å; M165-I215 HydrophobicContact CG-CD1 4.13Å; M165-I215 HydrophobicContact SD-CD1 4.04Å; P167-I215 HydrophobicContact CB-CG1 4.31Å; P167-I215 HydrophobicContact CG-CD1 4.38Å; P167-I215 HydrophobicContact CG-CG1 4.15Å; L170-I215 HydrophobicContact CD2-CB 4.22Å; L170-I215 HydrophobicContact CD2-CG1 3.93Å; L170-I215 HydrophobicContact CD2-CG2 3.83Å; L193-I215 HydrophobicContact CD1-CG2 4.27Å; M207-I215 HydrophobicContact CE-CD1 3.7Å; M207-I215 HydrophobicContact SD-CD1 3.52Å; M207-I215 VanDerWaalsContact SD-CD1 3.52Å; R211-I215 WeakPolarHBondContact O-CB 3.13Å; R211-I215 WeakPolarHBondContact O-CD1 3.46Å; R211-I215 VanDerWaalsContact O-CG1 3.27Å; R211-I215 WeakPolarHBondContact O-CG1 3.46Å; R211-I215 PolarHBondContact O-N 2.92Å; R213-I215 VanDerWaalsContact C-N 3.35Å; R213-I215 PolarHBondContact O-N 3.1Å; I215-L218 PolarHBondContact O-N 2.86Å; I215-A219 WeakPolarHBondContact O-CB 3.04Å; I215-A219 PolarHBondContact O-N 2.92Å; I215-I226 HydrophobicContact CG2-CD1 4.19Å; I215-F245 HydrophobicContact CB-CE1 4.11Å; I215-F245 HydrophobicContact CB-CZ 4.19Å; I215-F245 HydrophobicContact CG2-CE1 3.86Å; I215-F245 HydrophobicContact CG2-CZ 3.87Å
216Y98.8Very high98.1Very high4 Ų440 Ų402%0.01619%0.185CC..Hα-helixtrans-60.1-48.5175.6-171.7-100.3000110.5K212 R213 L218 A219 R220 I226 F245 M248 D249 V250 D251 R253 I254K212-Y216 VanDerWaalsContact O-CB 3.28Å; K212-Y216 WeakPolarHBondContact O-CB 3.3Å; K212-Y216 PolarHBondContact O-N 2.83Å; R213-Y216 WeakPolarHBondContact O-CB 3.26Å; R213-Y216 PolarHBondContact O-N 2.89Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; Y216-L218 PolarHBondContact O-N 2.8Å; Y216-A219 CarbonylContact O-C 3.53Å; Y216-A219 WeakPolarHBondContact O-CA 3.21Å; Y216-A219 WeakPolarHBondContact O-CB 3.47Å; Y216-A219 PolarHBondContact O-N 2.9Å; Y216-R220 HydrophobicContact CD1-CG 4.08Å; Y216-R220 HydrophobicContact CE1-CG 3.89Å; Y216-R220 VanDerWaalsContact O-CG 3.32Å; Y216-R220 WeakPolarHBondContact O-CG 3.42Å; Y216-R220 PolarHBondContact O-N 2.8Å; Y216-I226 HydrophobicContact CD2-CD1 4.41Å; Y216-F245 HydrophobicContact CD2-CD1 4.49Å; Y216-M248 HydrophobicContact CD2-CG 4.36Å; Y216-M248 HydrophobicContact CG-CG 4.33Å; Y216-M248 HydrophobicContact CG-SD 4.42Å; Y216-D249 HydrophobicContact CE2-CB 4.45Å; Y216-D249 WeakPolarHBondContact OH-CA 3.26Å; Y216-D249 PolarHBondContact OH-OD1 2.82Å; Y216-V250 HydrophobicContact CE1-CG2 3.99Å; Y216-V250 PolarHBondContact OH-N 2.98Å; Y216-D251 PolarHBondContact OH-N 3.08Å; Y216-D251 VanDerWaalsContact OH-N 3.1Å; Y216-R253 HydrophobicContact CD2-CG 4.49Å; Y216-R253 HydrophobicContact CE2-CG 3.63Å; Y216-I254 HydrophobicContact CD2-CD1 4.09Å; Y216-I254 HydrophobicContact CE2-CD1 3.98Å; Y216-I254 HydrophobicContact CE2-CG1 4.2Å
217E98.7Very high98.2Very high98 Ų9839.3 Ų39.346%0.45818%0.179SC..Hα-helixtrans-61.8-38.4177.8-67.9-54.3137.100112.9R213 D214 A219 R220 Q221R213-E217 PolarHBondContact O-N 3.11Å; D214-E217 PolarHBondContact O-N 3.18Å; E217-A219 VanDerWaalsContact C-N 3.35Å; E217-R220 WeakPolarHBondContact O-CB 3.36Å; E217-R220 PolarHBondContact O-N 2.67Å; E217-R220 VanDerWaalsContact O-N 3.16Å; E217-R220 IonicContact OE1-NH1 3.45Å; E217-R220 WeakPolarHBondContact OE2-CD 3.49Å; E217-R220 IonicContact OE2-NH1 3.23Å; E217-R220 PolarHBondContact OE2-NH1 2.95Å; E217-Q221 PolarHBondContact O-N 3.31Å
218L98.5Very high98.2Very high15 Ų1539.1 Ų39.18%0.07918%0.179CC..Hα-helixtrans-62.3-42.1171.6-71.9168.3000111.7L170 K171 L174 D214 I215 Y216 R220 Q221 Y222L170-L218 HydrophobicContact CB-CD1 4.13Å; L170-L218 HydrophobicContact CD2-CB 4.15Å; L170-L218 HydrophobicContact CD2-CD1 3.86Å; L170-L218 HydrophobicContact CG-CD1 3.97Å; K171-L218 HydrophobicContact CB-CD1 4.11Å; K171-L218 HydrophobicContact CB-CD2 4.09Å; K171-L218 HydrophobicContact CG-CD2 4.16Å; L174-L218 HydrophobicContact CD1-CB 4.25Å; D214-L218 WeakPolarHBondContact O-CG 3.27Å; D214-L218 PolarHBondContact O-N 2.9Å; I215-L218 PolarHBondContact O-N 2.86Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; Y216-L218 PolarHBondContact O-N 2.8Å; L218-R220 VanDerWaalsContact C-N 3.25Å; L218-R220 PolarHBondContact O-N 3.11Å; L218-Q221 PolarHBondContact O-N 3Å; L218-Y222 WeakPolarHBondContact O-CD2 3.01Å; L218-Y222 PolarHBondContact O-N 2.82Å
219A98.4Very high98.3Very high0 Ų035.7 Ų35.70%016%0.161CC..Hα-helixtrans-62-34174.300000112.1I215 Y216 E217 D223 L224 I226 R253I215-A219 WeakPolarHBondContact O-CB 3.04Å; I215-A219 PolarHBondContact O-N 2.92Å; Y216-A219 CarbonylContact O-C 3.53Å; Y216-A219 WeakPolarHBondContact O-CA 3.21Å; Y216-A219 WeakPolarHBondContact O-CB 3.47Å; Y216-A219 PolarHBondContact O-N 2.9Å; E217-A219 VanDerWaalsContact C-N 3.35Å; A219-D223 CarbonylContact O-C 3.57Å; A219-D223 WeakPolarHBondContact O-CA 3.21Å; A219-D223 PolarHBondContact O-N 3.06Å; A219-L224 HydrophobicContact CB-CB 3.95Å; A219-L224 HydrophobicContact CB-CD1 4.43Å; A219-L224 HydrophobicContact CB-CG 4.49Å; A219-L224 PolarHBondContact O-N 3.02Å; A219-I226 HydrophobicContact CB-CD1 3.71Å; A219-I226 HydrophobicContact CB-CG1 3.91Å; A219-R253 PolarHBondContact O-NH1 3.12Å
220R97.5Very high98.4Very high98 Ų9833.7 Ų33.737%0.3715%0.148SC..Hα-helixtrans-67.1-47.4172.7-58.1179.979.4-154.20.5112Y216 E217 L218 Y222 D223 D251Y216-R220 HydrophobicContact CD1-CG 4.08Å; Y216-R220 HydrophobicContact CE1-CG 3.89Å; Y216-R220 VanDerWaalsContact O-CG 3.32Å; Y216-R220 WeakPolarHBondContact O-CG 3.42Å; Y216-R220 PolarHBondContact O-N 2.8Å; E217-R220 WeakPolarHBondContact O-CB 3.36Å; E217-R220 PolarHBondContact O-N 2.67Å; E217-R220 VanDerWaalsContact O-N 3.16Å; E217-R220 IonicContact OE1-NH1 3.45Å; E217-R220 WeakPolarHBondContact OE2-CD 3.49Å; E217-R220 IonicContact OE2-NH1 3.23Å; E217-R220 PolarHBondContact OE2-NH1 2.95Å; L218-R220 VanDerWaalsContact C-N 3.25Å; L218-R220 PolarHBondContact O-N 3.11Å; R220-Y222 VanDerWaalsContact C-N 3.32Å; R220-Y222 PolarHBondContact O-N 2.86Å; R220-D223 PolarHBondContact O-N 2.88Å; R220-D251 VanDerWaalsContact CG-OD2 3.24Å; R220-D251 WeakPolarHBondContact CG-OD2 3.23Å; R220-D251 IonicContact CZ-OD1 2.82Å; R220-D251 IonicContact CZ-OD2 2.78Å; R220-D251 IonicContact NE-OD1 2.75Å; R220-D251 IonicContact NE-OD2 3.63Å; R220-D251 PolarHBondContact NE-OD2 3.4Å; R220-D251 IonicContact NH2-OD1 2.78Å; R220-D251 PolarHBondContact NH2-OD1 3.08Å; R220-D251 IonicContact NH2-OD2 3.21Å
221Q96.9Very high98.4Very high110 Ų11029.9 Ų29.951%0.51413%0.132SC..Hα-helixtrans-59.9-41.1-178.5-177.2179.6-3.100112.3P179 E217 L218P179-Q221 HydrophobicContact CG-CG 4.16Å; E217-Q221 PolarHBondContact O-N 3.31Å; L218-Q221 PolarHBondContact O-N 3Å
222Y97.7Very high98.4Very high17 Ų1728.8 Ų28.87%0.06713%0.128CC..THydrogen-bonded Turntrans-99.78.6-177.7-70.5-95.2000113.9L174 P179 V182 V189 L218 R220 L224L174-Y222 HydrophobicContact CB-CD1 4.25Å; L174-Y222 HydrophobicContact CB-CD2 4.19Å; L174-Y222 HydrophobicContact CB-CE1 3.91Å; L174-Y222 HydrophobicContact CB-CE2 3.86Å; L174-Y222 HydrophobicContact CB-CG 4.38Å; L174-Y222 HydrophobicContact CD1-CD2 3.72Å; L174-Y222 HydrophobicContact CD1-CE2 4.06Å; L174-Y222 HydrophobicContact CD1-CG 4.08Å; L174-Y222 HydrophobicContact CD2-CD1 4.1Å; L174-Y222 HydrophobicContact CD2-CD2 4.49Å; L174-Y222 HydrophobicContact CD2-CG 4.05Å; L174-Y222 HydrophobicContact CG-CD2 4.36Å; L174-Y222 HydrophobicContact CG-CE2 4.5Å; L174-Y222 HydrophobicContact CG-CG 4.41Å; L174-Y222 WeakPolarHBondContact O-CE1 3.35Å; P179-Y222 HydrophobicContact CG-CD1 4.09Å; P179-Y222 HydrophobicContact CG-CE1 3.68Å; P179-Y222 HydrophobicContact CG-CE2 4.32Å; V182-Y222 WeakPolarHBondContact CG2-O 3.44Å; V189-Y222 HydrophobicContact CG1-CD1 4.29Å; L218-Y222 WeakPolarHBondContact O-CD2 3.01Å; L218-Y222 PolarHBondContact O-N 2.82Å; R220-Y222 VanDerWaalsContact C-N 3.32Å; R220-Y222 PolarHBondContact O-N 2.86Å; Y222-L224 PolarHBondContact O-N 3.34Å
223D97.3Very high98.4Very high22 Ų2229.2 Ų29.212%0.11813%0.13CC..THydrogen-bonded Turntrans47.757-177.2-169.138.5000113.3R5 F6 V182 H183 A219 R220 R253R5-D223 IonicContact CZ-OD2 3.4Å; R5-D223 PolarHBondContact NH1-O 3.31Å; R5-D223 IonicContact NH1-OD2 3.27Å; R5-D223 PolarHBondContact NH1-OD2 3.24Å; F6-D223 WeakPolarHBondContact CE1-O 3.37Å; F6-D223 WeakPolarHBondContact CZ-O 3.47Å; V182-D223 HydrophobicContact CG1-CB 3.55Å; H183-D223 IonicContact CE1-OD2 3.98Å; A219-D223 CarbonylContact O-C 3.57Å; A219-D223 WeakPolarHBondContact O-CA 3.21Å; A219-D223 PolarHBondContact O-N 3.06Å; R220-D223 PolarHBondContact O-N 2.88Å; D223-R253 IonicContact OD1-NH1 3.25Å
224L97.8Very high98.4Very high0 Ų023 Ų230%011%0.107CC..  trans-95.4146.2176.5-49.4179000110.9L135 L174 P190 A219 Y222 R253L135-L224 HydrophobicContact CD1-CD1 4.09Å; L174-L224 HydrophobicContact CD1-CD1 4.2Å; L174-L224 HydrophobicContact CD2-CD1 4.23Å; P190-L224 HydrophobicContact CB-CD2 4.25Å; P190-L224 WeakPolarHBondContact O-CD2 3.36Å; A219-L224 HydrophobicContact CB-CB 3.95Å; A219-L224 HydrophobicContact CB-CD1 4.43Å; A219-L224 HydrophobicContact CB-CG 4.49Å; A219-L224 PolarHBondContact O-N 3.02Å; Y222-L224 PolarHBondContact O-N 3.34Å; L224-R253 PolarHBondContact O-NH1 2.91Å
225L98.7Very high98.4Very high0 Ų019.9 Ų19.90%09%0.09CC..EExtended strand (participates in β ladder)trans-84.3144.2155.9-65.2178000109.6M1 F6 L127 R191 V192 L193 R253 I255 L279M1-L225 HydrophobicContact CE-CD2 4.03Å; F6-L225 HydrophobicContact CB-CD1 3.75Å; F6-L225 HydrophobicContact CD1-CD1 3.62Å; F6-L225 HydrophobicContact CD1-CG 3.6Å; F6-L225 HydrophobicContact CD2-CD1 4.14Å; F6-L225 HydrophobicContact CD2-CD2 4.5Å; F6-L225 HydrophobicContact CD2-CG 4.24Å; F6-L225 HydrophobicContact CE1-CD1 4.24Å; F6-L225 HydrophobicContact CE1-CD2 4.48Å; F6-L225 HydrophobicContact CE1-CG 3.68Å; F6-L225 HydrophobicContact CE2-CD2 4.36Å; F6-L225 HydrophobicContact CE2-CG 4.3Å; F6-L225 HydrophobicContact CG-CD1 3.56Å; F6-L225 HydrophobicContact CG-CG 3.89Å; F6-L225 HydrophobicContact CZ-CD2 4.35Å; F6-L225 HydrophobicContact CZ-CG 4.03Å; L127-L225 HydrophobicContact CD1-CD1 4.06Å; L127-L225 HydrophobicContact CD2-CD1 3.72Å; R191-L225 PolarHBondContact O-N 3.34Å; V192-L225 WeakPolarHBondContact CA-O 3.5Å; L193-L225 PolarHBondContact N-O 2.75Å; L225-R253 WeakPolarHBondContact CA-O 3.16Å; L225-R253 HydrophobicContact CD2-CB 4.03Å; L225-R253 WeakPolarHBondContact CD2-O 3.3Å; L225-I255 HydrophobicContact CD1-CD1 4.35Å; L225-L279 HydrophobicContact CD1-CD1 3.79Å; L225-L279 HydrophobicContact CD2-CD1 4.17Å
226I98.9Very high98.4Very high0 Ų020.5 Ų20.50%09%0.093CC..EExtended strand (participates in β ladder)trans-109.8123.9170.4-57.7173.1000108.1L193 I215 Y216 A219 F245 R253 I254 I255L193-I226 HydrophobicContact CB-CG1 4.47Å; L193-I226 HydrophobicContact CD2-CG1 4.35Å; L193-I226 HydrophobicContact CD2-CG2 3.94Å; L193-I226 CarbonylContact O-C 3.56Å; L193-I226 WeakPolarHBondContact O-CA 3.48Å; I215-I226 HydrophobicContact CG2-CD1 4.19Å; Y216-I226 HydrophobicContact CD2-CD1 4.41Å; A219-I226 HydrophobicContact CB-CD1 3.71Å; A219-I226 HydrophobicContact CB-CG1 3.91Å; I226-F245 HydrophobicContact CD1-CD1 3.83Å; I226-F245 HydrophobicContact CD1-CE1 3.83Å; I226-F245 HydrophobicContact CG2-CD2 4.33Å; I226-F245 HydrophobicContact CG2-CG 4.37Å; I226-R253 PolarHBondContact N-O 2.9Å; I226-I254 HydrophobicContact CB-CD1 3.58Å; I226-I254 HydrophobicContact CD1-CD1 3.86Å; I226-I254 HydrophobicContact CG1-CD1 4.1Å; I226-I254 HydrophobicContact CG2-CD1 4.23Å; I226-I254 WeakPolarHBondContact O-CA 3.45Å; I226-I255 PolarHBondContact O-N 3.46Å
227I98.9Very high98.3Very high0 Ų020.3 Ų20.30%09%0.092CC..EExtended strand (participates in β ladder)trans-92.6105.4168.7-57.1171.1000107.1L120 V123 F124 L127 V192 L193 Y194 T195 D229 I255L120-I227 HydrophobicContact CD1-CG2 3.47Å; L120-I227 VanDerWaalsContact CD1-CG2 3.47Å; V123-I227 HydrophobicContact CG1-CD1 3.62Å; V123-I227 HydrophobicContact CG1-CG1 3.95Å; F124-I227 HydrophobicContact CD1-CD1 3.71Å; F124-I227 HydrophobicContact CE1-CD1 3.56Å; L127-I227 HydrophobicContact CD1-CD1 4.12Å; V192-I227 HydrophobicContact CG1-CD1 3.33Å; V192-I227 HydrophobicContact CG1-CG1 3.9Å; L193-I227 PolarHBondContact O-N 3.47Å; Y194-I227 HydrophobicContact CD2-CB 4.27Å; Y194-I227 HydrophobicContact CD2-CG2 4Å; T195-I227 PolarHBondContact N-O 3.21Å; T195-I227 VanDerWaalsContact N-O 3.13Å; I227-D229 PolarHBondContact O-N 2.97Å; I227-I255 CarbonylContact C-O 3.15Å; I227-I255 VanDerWaalsContact CA-O 3.3Å; I227-I255 WeakPolarHBondContact CA-O 3.13Å
228E98.9Very high98Very high0 Ų020.8 Ų20.80%010%0.098CC..EExtended strand (participates in β ladder)trans-91.692.7177.9-173.1-177.9-141.600108.9P197 D230 T244 F245 I254 I255 R256 T257P197-E228 HydrophobicContact CG-CG 3.73Å; E228-D230 HydrophobicContact CG-CB 4.41Å; E228-D230 PolarHBondContact O-N 2.97Å; E228-T244 WeakPolarHBondContact OE1-CA 3.27Å; E228-T244 WeakPolarHBondContact OE1-CB 3.44Å; E228-F245 HydrophobicContact CG-CD2 4.15Å; E228-F245 PolarHBondContact OE1-N 3.45Å; E228-I254 HydrophobicContact CB-CG2 4.14Å; E228-I255 PolarHBondContact N-O 3.12Å; E228-R256 HydrophobicContact CB-CB 4.36Å; E228-R256 HydrophobicContact CB-CG 4.43Å; E228-R256 HydrophobicContact CG-CG 4.5Å; E228-R256 CarbonylContact O-C 3.56Å; E228-R256 WeakPolarHBondContact O-CA 3.29Å; E228-R256 IonicContact OE1-NH1 2.73Å; E228-R256 PolarHBondContact OE1-NH1 3.17Å; E228-R256 WeakPolarHBondContact OE2-CD 3.34Å; E228-R256 IonicContact OE2-CZ 3.81Å; E228-R256 IonicContact OE2-NH1 2.59Å; E228-R256 PolarHBondContact OE2-NH1 3.41Å; E228-T257 PolarHBondContact O-N 3.29Å
229D98.9Very high97.7Very high5 Ų526 Ų263%0.02712%0.12CC..EExtended strand (participates in β ladder)trans-87.5105.1175.5-17738000110.9L120 Y194 T195 I196 P197 I227 P231 T257L120-D229 HydrophobicContact CD1-CB 4.46Å; L120-D229 HydrophobicContact CD2-CB 4.5Å; Y194-D229 HydrophobicContact CD2-CB 4.47Å; Y194-D229 HydrophobicContact CE2-CB 3.56Å; Y194-D229 PolarHBondContact OH-OD2 2.93Å; T195-D229 PolarHBondContact O-N 3.36Å; I196-D229 WeakPolarHBondContact CA-O 3.19Å; I196-D229 HydrophobicContact CG1-CB 4.45Å; I196-D229 WeakPolarHBondContact CG2-O 3.29Å; P197-D229 WeakPolarHBondContact CD-O 3.18Å; I227-D229 PolarHBondContact O-N 2.97Å; D229-P231 VanDerWaalsContact O-CD 3.26Å; D229-P231 WeakPolarHBondContact O-CD 3.44Å; D229-T257 VanDerWaalsContact CA-OG1 3.27Å; D229-T257 WeakPolarHBondContact CA-OG1 3.41Å; D229-T257 WeakPolarHBondContact CB-OG1 3.47Å; D229-T257 PolarHBondContact OD1-OG1 2.89Å
230D98.6Very high97.5Very high2 Ų232.1 Ų32.11%0.01116%0.16CC..  trans-125.554.9-166.4-157.21.8000113.6P197 N198 E228 Y232 Y233 R256 T257P197-D230 HydrophobicContact CG-CB 4.2Å; N198-D230 WeakPolarHBondContact CB-OD1 3.28Å; N198-D230 PolarHBondContact ND2-OD1 3.18Å; N198-D230 PolarHBondContact ND2-OD2 3.35Å; E228-D230 HydrophobicContact CG-CB 4.41Å; E228-D230 PolarHBondContact O-N 2.97Å; D230-Y232 PolarHBondContact O-N 3.14Å; D230-Y232 VanDerWaalsContact O-N 3.1Å; D230-Y233 PolarHBondContact O-N 3.12Å; D230-Y233 WeakPolarHBondContact OD1-CA 3.33Å; D230-Y233 PolarHBondContact OD1-N 2.97Å; D230-Y233 WeakPolarHBondContact OD2-CB 3.45Å; D230-Y233 VanDerWaalsContact OD2-CD2 3.24Å; D230-Y233 WeakPolarHBondContact OD2-CD2 3.38Å; D230-R256 IonicContact OD2-CZ 3.3Å; D230-R256 VanDerWaalsContact OD2-CZ 3.23Å; D230-R256 IonicContact OD2-NH1 3.87Å; D230-R256 PolarHBondContact OD2-NH1 3.46Å; D230-R256 IonicContact OD2-NH2 2.84Å; D230-R256 PolarHBondContact OD2-NH2 3.38Å; D230-T257 PolarHBondContact N-O 2.9Å
231P98.6Very high97.4Very high19 Ų1929.3 Ų29.312%0.12315%0.149CC..THydrogen-bonded Turntrans-68.7-10-179.231.5-36.3000113.1D229D229-P231 VanDerWaalsContact O-CD 3.26Å; D229-P231 WeakPolarHBondContact O-CD 3.44Å
232Y98.6Very high97.1Very high11 Ų1125 Ų254%0.04313%0.133CC..THydrogen-bonded Turntrans-110.510-179.8-53.9-70.9000113.1I196 N198 G199 N201 D230 F234 L235 K262 M353 F354I196-Y232 HydrophobicContact CG2-CD2 4.26Å; N198-Y232 WeakPolarHBondContact O-CB 3.35Å; G199-Y232 WeakPolarHBondContact O-CD2 3.48Å; N201-Y232 HydrophobicContact CB-CE2 4.13Å; D230-Y232 PolarHBondContact O-N 3.14Å; D230-Y232 VanDerWaalsContact O-N 3.1Å; Y232-F234 VanDerWaalsContact C-N 3.27Å; Y232-F234 PolarHBondContact O-N 3.45Å; Y232-L235 HydrophobicContact CD1-CD1 4.05Å; Y232-L235 CarbonylContact O-C 3.59Å; Y232-L235 WeakPolarHBondContact O-CA 3.5Å; Y232-L235 PolarHBondContact O-N 3.4Å; Y232-K262 HydrophobicContact CD1-CG 4.39Å; Y232-K262 HydrophobicContact CE1-CG 4.19Å; Y232-M353 HydrophobicContact CE1-CE 4.17Å; Y232-M353 HydrophobicContact CE1-CG 4.05Å; Y232-M353 HydrophobicContact CE1-SD 4.29Å; Y232-F354 VanDerWaalsContact OH-CE2 3.29Å; Y232-F354 WeakPolarHBondContact OH-CE2 3.42Å
233Y98.6Very high97.1Very high9 Ų926.8 Ų26.84%0.03515%0.146CC..G310 helixtrans-50.9-47.3179.1-177.7-104.8000112.6L94 H95 D230 L235 Q236 W241 T244L94-Y233 HydrophobicContact CD1-CE1 4.11Å; H95-Y233 AromaticContact CE1-CE1 3.86Å; H95-Y233 AromaticContact CE1-CE2 3.93Å; H95-Y233 AromaticContact CE1-CZ 3.51Å; H95-Y233 PolarHBondContact CE1-OH 3.44Å; D230-Y233 PolarHBondContact O-N 3.12Å; D230-Y233 WeakPolarHBondContact OD1-CA 3.33Å; D230-Y233 PolarHBondContact OD1-N 2.97Å; D230-Y233 WeakPolarHBondContact OD2-CB 3.45Å; D230-Y233 VanDerWaalsContact OD2-CD2 3.24Å; D230-Y233 WeakPolarHBondContact OD2-CD2 3.38Å; Y233-L235 PolarHBondContact O-N 3.49Å; Y233-Q236 WeakPolarHBondContact O-CG 3.25Å; Y233-Q236 PolarHBondContact O-NE2 3.42Å; Y233-W241 AromaticContact CE1-CE3 3.67Å; Y233-W241 HydrophobicContact CE1-CE3 3.67Å; Y233-W241 AromaticContact CE1-CZ3 3.9Å; Y233-W241 HydrophobicContact CE1-CZ3 3.9Å; Y233-W241 AromaticContact CZ-CE3 3.84Å; Y233-T244 HydrophobicContact CD2-CG2 3.96Å; Y233-T244 HydrophobicContact CE2-CG2 3.48Å; Y233-T244 VanDerWaalsContact CE2-CG2 3.48Å
234F98.5Very high97.2Very high7 Ų725.8 Ų25.83%0.03114%0.141CC..G310 helixtrans-8111.3178.6-61.3-64000113.8L90 L94 Y232 W241 I263 F314 V318 I322L90-F234 HydrophobicContact CD2-CZ 4.17Å; L94-F234 HydrophobicContact CD1-CE1 3.61Å; L94-F234 HydrophobicContact CD1-CZ 3.65Å; Y232-F234 VanDerWaalsContact C-N 3.27Å; Y232-F234 PolarHBondContact O-N 3.45Å; F234-W241 AromaticContact CD1-CH2 3.83Å; F234-W241 HydrophobicContact CD1-CH2 3.83Å; F234-W241 AromaticContact CD1-CZ3 3.87Å; F234-W241 HydrophobicContact CD1-CZ3 3.87Å; F234-W241 HydrophobicContact CE1-CH2 4.37Å; F234-W241 HydrophobicContact CE1-CZ3 4.05Å; F234-I263 HydrophobicContact CB-CD1 4.02Å; F234-I263 HydrophobicContact CB-CG2 3.8Å; F234-I263 HydrophobicContact CD2-CD1 3.65Å; F234-I263 HydrophobicContact CE2-CD1 4.35Å; F234-I263 HydrophobicContact CG-CD1 3.93Å; F234-F314 HydrophobicContact CD1-CE1 4.4Å; F234-F314 HydrophobicContact CD1-CZ 4.38Å; F234-F314 HydrophobicContact CD2-CZ 4.41Å; F234-F314 AromaticContact CE1-CE1 3.81Å; F234-F314 HydrophobicContact CE1-CE1 3.81Å; F234-F314 HydrophobicContact CE1-CZ 4.04Å; F234-F314 HydrophobicContact CE2-CZ 4.08Å; F234-F314 AromaticContact CZ-CE1 3.91Å; F234-F314 HydrophobicContact CZ-CE1 3.91Å; F234-F314 AromaticContact CZ-CZ 3.89Å; F234-F314 HydrophobicContact CZ-CZ 3.89Å; F234-V318 HydrophobicContact CB-CG1 3.85Å; F234-V318 HydrophobicContact CB-CG2 4.21Å; F234-V318 HydrophobicContact CD1-CG1 4.09Å; F234-V318 HydrophobicContact CD1-CG2 4.14Å; F234-V318 HydrophobicContact CG-CG1 4.39Å; F234-V318 HydrophobicContact CG-CG2 4.26Å; F234-I322 VanDerWaalsContact O-CG1 3.27Å; F234-I322 WeakPolarHBondContact O-CG1 3.29Å
235L98.4Very high97.2Very high0 Ų025.8 Ų25.80%014%0.141CC..G310 helixtrans-120.225.9174.8-65.9-176.8000111.6Y232 Y233 K262 I263 V321 Y325 A351 G352 M353Y232-L235 HydrophobicContact CD1-CD1 4.05Å; Y232-L235 CarbonylContact O-C 3.59Å; Y232-L235 WeakPolarHBondContact O-CA 3.5Å; Y232-L235 PolarHBondContact O-N 3.4Å; Y233-L235 PolarHBondContact O-N 3.49Å; L235-K262 HydrophobicContact CD1-CB 3.75Å; L235-I263 HydrophobicContact CD2-CG2 4.13Å; L235-I263 HydrophobicContact CG-CG2 4.39Å; L235-V321 HydrophobicContact CD2-CG1 3.63Å; L235-Y325 HydrophobicContact CD1-CD2 4.4Å; L235-Y325 HydrophobicContact CD1-CE2 4.26Å; L235-Y325 HydrophobicContact CD2-CD2 3.57Å; L235-Y325 HydrophobicContact CD2-CE2 3.92Å; L235-Y325 HydrophobicContact CD2-CG 4.31Å; L235-A351 CarbonylContact O-C 3.56Å; L235-A351 WeakPolarHBondContact O-CA 3.44Å; L235-A351 VanDerWaalsContact O-CB 3.23Å; L235-A351 WeakPolarHBondContact O-CB 3.12Å; L235-G352 PolarHBondContact O-N 3.2Å; L235-M353 HydrophobicContact CD1-CE 3.51Å
236Q98.4Very high97.2Very high13 Ų1325.8 Ų25.86%0.06114%0.141CC..BIsolated β-bridgetrans-75.5126.3168.7-73.6173.281.300110.1N198 Y233 W241 A242 I322 A351N198-Q236 HydrophobicContact CB-CG 4.24Å; Y233-Q236 WeakPolarHBondContact O-CG 3.25Å; Y233-Q236 PolarHBondContact O-NE2 3.42Å; Q236-W241 VanDerWaalsContact CB-CD1 3.47Å; Q236-W241 HydrophobicContact CB-CG 4.23Å; Q236-A242 VanDerWaalsContact OE1-N 3.12Å; Q236-I322 WeakPolarHBondContact O-CD1 3.41Å; Q236-A351 HydrophobicContact CB-CB 4.34Å; Q236-A351 HydrophobicContact CG-CB 3.89Å
237F97.8Very high97.2Very high1 Ų127.4 Ų27.40%0.00415%0.152CC..SBendtrans-77.2-27.3-173.5-58.7-55.6000113.5I322 R326 R329 P349 A350 G352 F401F237-I322 HydrophobicContact CD1-CG2 4.38Å; F237-R326 HydrophobicContact CD1-CB 4Å; F237-R326 PolarHBondContact O-NE 2.9Å; F237-R326 PolarHBondContact O-NH2 3.11Å; F237-R329 VanDerWaalsContact CB-NH1 3.31Å; F237-R329 HydrophobicContact CE2-CB 4.5Å; F237-R329 HydrophobicContact CE2-CG 4.35Å; F237-R329 VanDerWaalsContact CG-NH1 3.3Å; F237-R329 HydrophobicContact CZ-CB 4.27Å; F237-P349 WeakPolarHBondContact CD2-O 3.29Å; F237-P349 HydrophobicContact CE2-CB 4.4Å; F237-P349 WeakPolarHBondContact CE2-O 3.34Å; F237-A350 VanDerWaalsContact CD2-O 3.23Å; F237-A350 WeakPolarHBondContact CD2-O 3.43Å; F237-A350 PolarHBondContact N-O 3.48Å; F237-A350 VanDerWaalsContact N-O 3.17Å; F237-G352 WeakPolarHBondContact CZ-O 3.38Å; F237-F401 HydrophobicContact CE2-CZ 4.5Å; F237-F401 HydrophobicContact CZ-CE2 4.06Å; F237-F401 HydrophobicContact CZ-CZ 4.03Å
238D92.9Very high97.1Very high108 Ų10828.9 Ų28.958%0.57816%0.159SC*.SBendtrans-111.4139.4-175.8-58.8-45.3000110.9
239K92.1Very high97.1Very high123 Ų12328.9 Ų28.954%0.53516%0.16SC..SBendtrans-107150.4172.7-73-172.8179.5-177.10110.1D319K239-D319 WeakPolarHBondContact CE-OD1 3.49Å; K239-D319 IonicContact NZ-OD1 3.6Å; K239-D319 PolarHBondContact NZ-OD1 3.08Å; K239-D319 IonicContact NZ-OD2 2.82Å; K239-D319 PolarHBondContact NZ-OD2 3.31Å
240P93.8Very high96.9Very high129 Ų12931.3 Ų31.384%0.83817%0.174SC*.SBendcis-69.1147.2-4.330.7-35.4000111.8
241W95.5Very high96.8Very high39 Ų3932.8 Ų32.815%0.14818%0.182CC..PPolyproline II helixtrans-64.4148.3177.6-64.8-26.8000111.6L94 Y233 F234 Q236 L315 V318 I322L94-W241 HydrophobicContact CD2-CZ3 4.3Å; Y233-W241 AromaticContact CE1-CE3 3.67Å; Y233-W241 HydrophobicContact CE1-CE3 3.67Å; Y233-W241 AromaticContact CE1-CZ3 3.9Å; Y233-W241 HydrophobicContact CE1-CZ3 3.9Å; Y233-W241 AromaticContact CZ-CE3 3.84Å; F234-W241 AromaticContact CD1-CH2 3.83Å; F234-W241 HydrophobicContact CD1-CH2 3.83Å; F234-W241 AromaticContact CD1-CZ3 3.87Å; F234-W241 HydrophobicContact CD1-CZ3 3.87Å; F234-W241 HydrophobicContact CE1-CH2 4.37Å; F234-W241 HydrophobicContact CE1-CZ3 4.05Å; Q236-W241 VanDerWaalsContact CB-CD1 3.47Å; Q236-W241 HydrophobicContact CB-CG 4.23Å; W241-L315 HydrophobicContact CH2-CD2 4.14Å; W241-L315 HydrophobicContact CZ3-CD2 4.31Å; W241-V318 HydrophobicContact CH2-CG1 3.78Å; W241-V318 HydrophobicContact CZ2-CG1 3.89Å; W241-I322 HydrophobicContact CZ2-CD1 3.55Å
242A91.2Very high96.7Very high21 Ų2131.9 Ų31.917%0.17418%0.176CC..PPolyproline II helixtrans-65.3137.3179.300000110.6Q236Q236-A242 VanDerWaalsContact OE1-N 3.12Å
243P97.3Very high96.7Very high53 Ų5331.7 Ų31.734%0.34418%0.176SC..PPolyproline II helixtrans-52.1146.4171-26.235.1000111.8T209 K212 M248T209-P243 HydrophobicContact CG2-CG 4Å; T209-P243 WeakPolarHBondContact OG1-CD 3.31Å; K212-P243 WeakPolarHBondContact CD-O 3.38Å; K212-P243 WeakPolarHBondContact CE-O 3.49Å; K212-P243 PolarHBondContact NZ-O 2.94Å; P243-M248 HydrophobicContact CB-CE 4.49Å
244T98.8Very high96.7Very high1 Ų131.3 Ų31.31%0.00617%0.174CC..PPolyproline II helixtrans-87.9164.7179.2550000110.8H95 E228 Y233 L246 S247 M248H95-T244 VanDerWaalsContact CE1-CG2 3.47Å; H95-T244 WeakPolarHBondContact CE1-CG2 3.26Å; H95-T244 WeakPolarHBondContact ND1-CG2 3.44Å; H95-T244 PolarHBondContact ND1-OG1 2.86Å; E228-T244 WeakPolarHBondContact OE1-CA 3.27Å; E228-T244 WeakPolarHBondContact OE1-CB 3.44Å; Y233-T244 HydrophobicContact CD2-CG2 3.96Å; Y233-T244 HydrophobicContact CE2-CG2 3.48Å; Y233-T244 VanDerWaalsContact CE2-CG2 3.48Å; T244-L246 PolarHBondContact O-N 3.47Å; T244-S247 PolarHBondContact N-OG 2.91Å; T244-S247 PolarHBondContact O-N 2.99Å; T244-S247 PolarHBondContact O-OG 3.18Å; T244-S247 PolarHBondContact OG1-N 3.49Å; T244-M248 WeakPolarHBondContact O-CE 3.09Å
245F98.8Very high96.7Very high0 Ų031.1 Ų31.10%017%0.173CC..THydrogen-bonded Turntrans-60.3-38.4166.2-77.2-76.2000110.5T195 P197 M207 K212 I215 Y216 I226 E228 S247 M248 D249 I254T195-F245 HydrophobicContact CG2-CE2 3.98Å; P197-F245 HydrophobicContact CB-CE2 4.49Å; M207-F245 HydrophobicContact CE-CE2 4.4Å; M207-F245 HydrophobicContact CE-CZ 4.35Å; M207-F245 HydrophobicContact SD-CE2 3.97Å; M207-F245 HydrophobicContact SD-CZ 3.68Å; K212-F245 HydrophobicContact CB-CD1 4.3Å; K212-F245 HydrophobicContact CB-CE1 3.91Å; K212-F245 HydrophobicContact CB-CE2 4.47Å; K212-F245 HydrophobicContact CB-CZ 4.01Å; K212-F245 HydrophobicContact CD-CD2 4.47Å; K212-F245 HydrophobicContact CD-CE2 4.41Å; K212-F245 HydrophobicContact CG-CD2 4.43Å; K212-F245 HydrophobicContact CG-CE1 4.29Å; K212-F245 HydrophobicContact CG-CE2 3.96Å; K212-F245 HydrophobicContact CG-CZ 3.89Å; K212-F245 WeakPolarHBondContact O-CE1 3.44Å; I215-F245 HydrophobicContact CB-CE1 4.11Å; I215-F245 HydrophobicContact CB-CZ 4.19Å; I215-F245 HydrophobicContact CG2-CE1 3.86Å; I215-F245 HydrophobicContact CG2-CZ 3.87Å; Y216-F245 HydrophobicContact CD2-CD1 4.49Å; I226-F245 HydrophobicContact CD1-CD1 3.83Å; I226-F245 HydrophobicContact CD1-CE1 3.83Å; I226-F245 HydrophobicContact CG2-CD2 4.33Å; I226-F245 HydrophobicContact CG2-CG 4.37Å; E228-F245 HydrophobicContact CG-CD2 4.15Å; E228-F245 PolarHBondContact OE1-N 3.45Å; F245-S247 VanDerWaalsContact C-N 3.28Å; F245-S247 PolarHBondContact O-N 3.33Å; F245-M248 VanDerWaalsContact O-CG 3.23Å; F245-M248 WeakPolarHBondContact O-CG 3.23Å; F245-M248 PolarHBondContact O-N 2.79Å; F245-M248 VanDerWaalsContact O-N 3.11Å; F245-D249 PolarHBondContact O-N 3.43Å; F245-I254 HydrophobicContact CB-CD1 3.67Å; F245-I254 HydrophobicContact CB-CG1 3.97Å; F245-I254 HydrophobicContact CB-CG2 4.07Å; F245-I254 HydrophobicContact CD1-CD1 4.44Å; F245-I254 HydrophobicContact CG-CD1 4.36Å
246L98.6Very high96.7Very high1 Ų131.1 Ų31.11%0.00517%0.173CC..G310 helixtrans-57.9-37.5176.9-178.864.5000112.8H95 P97 T244 M248 D249 I254 R256 T274H95-L246 HydrophobicContact CB-CD2 4.37Å; P97-L246 HydrophobicContact CB-CD1 4.17Å; P97-L246 HydrophobicContact CB-CG 4.19Å; P97-L246 HydrophobicContact CG-CD1 4.18Å; P97-L246 HydrophobicContact CG-CD2 4.07Å; P97-L246 HydrophobicContact CG-CG 3.79Å; T244-L246 PolarHBondContact O-N 3.47Å; L246-M248 PolarHBondContact O-N 2.92Å; L246-D249 PolarHBondContact O-N 3.41Å; L246-I254 HydrophobicContact CB-CG2 4.21Å; L246-R256 HydrophobicContact CD2-CB 4.49Å; L246-T274 HydrophobicContact CD1-CG2 4.33Å; L246-T274 HydrophobicContact CD2-CG2 3.72Å
247S98.3Very high96.8Very high33 Ų3330.5 Ų30.523%0.23117%0.17CC..G310 helixtrans-70.9-15.1-179.973.60000114H95 T244 F245H95-S247 WeakPolarHBondContact O-CA 3.5Å; H95-S247 WeakPolarHBondContact O-CB 3.37Å; T244-S247 PolarHBondContact N-OG 2.91Å; T244-S247 PolarHBondContact O-N 2.99Å; T244-S247 PolarHBondContact O-OG 3.18Å; T244-S247 PolarHBondContact OG1-N 3.49Å; F245-S247 VanDerWaalsContact C-N 3.28Å; F245-S247 PolarHBondContact O-N 3.33Å
248M97.3Very high96.8Very high31 Ų3130.5 Ų30.515%0.15317%0.17CC..G310 helixtrans-110.58.8175.462.7-174.177.900113.1K212 R213 Y216 P243 T244 F245 L246 V250K212-M248 HydrophobicContact CB-CE 3.83Å; K212-M248 HydrophobicContact CB-SD 4.27Å; R213-M248 HydrophobicContact CG-CE 4.2Å; R213-M248 HydrophobicContact CG-SD 4.07Å; Y216-M248 HydrophobicContact CD2-CG 4.36Å; Y216-M248 HydrophobicContact CG-CG 4.33Å; Y216-M248 HydrophobicContact CG-SD 4.42Å; P243-M248 HydrophobicContact CB-CE 4.49Å; T244-M248 WeakPolarHBondContact O-CE 3.09Å; F245-M248 VanDerWaalsContact O-CG 3.23Å; F245-M248 WeakPolarHBondContact O-CG 3.23Å; F245-M248 PolarHBondContact O-N 2.79Å; F245-M248 VanDerWaalsContact O-N 3.11Å; L246-M248 PolarHBondContact O-N 2.92Å; M248-V250 PolarHBondContact O-N 2.98Å
249D97.6Very high97.1Very high1 Ų125.7 Ų25.71%0.00515%0.145CC..  trans-76.982.1-174.6-168.317.7000113T99 Y216 F245 L246 G252 R253 I254T99-D249 VanDerWaalsContact CG2-O 3.25Å; T99-D249 WeakPolarHBondContact CG2-O 3.23Å; Y216-D249 HydrophobicContact CE2-CB 4.45Å; Y216-D249 WeakPolarHBondContact OH-CA 3.26Å; Y216-D249 PolarHBondContact OH-OD1 2.82Å; F245-D249 PolarHBondContact O-N 3.43Å; L246-D249 PolarHBondContact O-N 3.41Å; D249-G252 WeakPolarHBondContact OD1-CA 3.38Å; D249-G252 PolarHBondContact OD1-N 3.33Å; D249-G252 VanDerWaalsContact OD2-C 3.32Å; D249-G252 WeakPolarHBondContact OD2-CA 3.32Å; D249-R253 VanDerWaalsContact CG-N 3.29Å; D249-R253 PolarHBondContact OD1-N 3.22Å; D249-R253 PolarHBondContact OD2-N 3.28Å; D249-I254 HydrophobicContact CB-CB 4.14Å; D249-I254 HydrophobicContact CB-CG1 3.56Å; D249-I254 VanDerWaalsContact CG-CG1 3.46Å; D249-I254 WeakPolarHBondContact OD2-CB 3.29Å; D249-I254 PolarHBondContact OD2-N 2.92Å
250V96.2Very high97.4Very high55 Ų5520 Ų2033%0.33312%0.12SC..SBendtrans-78.6-18.5177.3-63.90000113.9P98 Y216 M248P98-V250 HydrophobicContact CB-CG1 4.02Å; P98-V250 HydrophobicContact CG-CG1 3.9Å; Y216-V250 HydrophobicContact CE1-CG2 3.99Å; Y216-V250 PolarHBondContact OH-N 2.98Å; M248-V250 PolarHBondContact O-N 2.98Å
251D96.1Very high97.6Very high33 Ų3314.7 Ų14.718%0.1769%0.086CC..SBendtrans-100.4-17.9-175.8-67-20000113.4M1 Y216 R220 R253M1-D251 HydrophobicContact CG-CB 4.37Å; M1-D251 WeakPolarHBondContact CG-O 3.43Å; Y216-D251 PolarHBondContact OH-N 3.08Å; Y216-D251 VanDerWaalsContact OH-N 3.1Å; R220-D251 VanDerWaalsContact CG-OD2 3.24Å; R220-D251 WeakPolarHBondContact CG-OD2 3.23Å; R220-D251 IonicContact CZ-OD1 2.82Å; R220-D251 IonicContact CZ-OD2 2.78Å; R220-D251 IonicContact NE-OD1 2.75Å; R220-D251 IonicContact NE-OD2 3.63Å; R220-D251 PolarHBondContact NE-OD2 3.4Å; R220-D251 IonicContact NH2-OD1 2.78Å; R220-D251 PolarHBondContact NH2-OD1 3.08Å; R220-D251 IonicContact NH2-OD2 3.21Å; D251-R253 HydrophobicContact CB-CG 4.46Å; D251-R253 IonicContact OD2-CZ 3.57Å; D251-R253 IonicContact OD2-NE 3.42Å; D251-R253 PolarHBondContact OD2-NE 3.31Å; D251-R253 IonicContact OD2-NH2 2.78Å; D251-R253 PolarHBondContact OD2-NH2 3.04Å
252G97.1Very high97.7Very high0 Ų016.2 Ų16.20%09%0.094CC..SBendtrans75.350.1-171.400000111.3Y3 D249 P276Y3-G252 WeakPolarHBondContact CE1-O 3.48Å; Y3-G252 PolarHBondContact OH-O 2.67Å; D249-G252 WeakPolarHBondContact OD1-CA 3.38Å; D249-G252 PolarHBondContact OD1-N 3.33Å; D249-G252 VanDerWaalsContact OD2-C 3.32Å; D249-G252 WeakPolarHBondContact OD2-CA 3.32Å; G252-P276 WeakPolarHBondContact O-CG 3.25Å
253R97.9Very high98Very high8 Ų815.8 Ų15.83%0.039%0.089CC..  trans-116.12.1-178.868.8172.966.2-109.40114.4M1 Y216 A219 D223 L224 L225 I226 D249 D251M1-R253 HydrophobicContact CE-CB 3.92Å; Y216-R253 HydrophobicContact CD2-CG 4.49Å; Y216-R253 HydrophobicContact CE2-CG 3.63Å; A219-R253 PolarHBondContact O-NH1 3.12Å; D223-R253 IonicContact OD1-NH1 3.25Å; L224-R253 PolarHBondContact O-NH1 2.91Å; L225-R253 WeakPolarHBondContact CA-O 3.16Å; L225-R253 HydrophobicContact CD2-CB 4.03Å; L225-R253 WeakPolarHBondContact CD2-O 3.3Å; I226-R253 PolarHBondContact N-O 2.9Å; D249-R253 VanDerWaalsContact CG-N 3.29Å; D249-R253 PolarHBondContact OD1-N 3.22Å; D249-R253 PolarHBondContact OD2-N 3.28Å; D251-R253 HydrophobicContact CB-CG 4.46Å; D251-R253 IonicContact OD2-CZ 3.57Å; D251-R253 IonicContact OD2-NE 3.42Å; D251-R253 PolarHBondContact OD2-NE 3.31Å; D251-R253 IonicContact OD2-NH2 2.78Å; D251-R253 PolarHBondContact OD2-NH2 3.04Å
254I98.6Very high98Very high0 Ų015.4 Ų15.40%08%0.084CC..EExtended strand (participates in β ladder)trans-99.7125.6-179.1-53.8-54.6000110.7Y216 I226 E228 F245 L246 D249 R256 G275 P276Y216-I254 HydrophobicContact CD2-CD1 4.09Å; Y216-I254 HydrophobicContact CE2-CD1 3.98Å; Y216-I254 HydrophobicContact CE2-CG1 4.2Å; I226-I254 HydrophobicContact CB-CD1 3.58Å; I226-I254 HydrophobicContact CD1-CD1 3.86Å; I226-I254 HydrophobicContact CG1-CD1 4.1Å; I226-I254 HydrophobicContact CG2-CD1 4.23Å; I226-I254 WeakPolarHBondContact O-CA 3.45Å; E228-I254 HydrophobicContact CB-CG2 4.14Å; F245-I254 HydrophobicContact CB-CD1 3.67Å; F245-I254 HydrophobicContact CB-CG1 3.97Å; F245-I254 HydrophobicContact CB-CG2 4.07Å; F245-I254 HydrophobicContact CD1-CD1 4.44Å; F245-I254 HydrophobicContact CG-CD1 4.36Å; L246-I254 HydrophobicContact CB-CG2 4.21Å; D249-I254 HydrophobicContact CB-CB 4.14Å; D249-I254 HydrophobicContact CB-CG1 3.56Å; D249-I254 VanDerWaalsContact CG-CG1 3.46Å; D249-I254 WeakPolarHBondContact OD2-CB 3.29Å; D249-I254 PolarHBondContact OD2-N 2.92Å; I254-R256 HydrophobicContact CG2-CB 4.44Å; I254-G275 WeakPolarHBondContact O-CA 3.49Å; I254-P276 VanDerWaalsContact O-CD 3.28Å; I254-P276 WeakPolarHBondContact O-CD 3.4Å
255I98.8Very high98Very high3 Ų317.3 Ų17.32%0.01510%0.097CC..EExtended strand (participates in β ladder)trans-109.2109165-51.9173.4000106.8V123 M126 L127 L225 I226 I227 E228 V273 L279V123-I255 HydrophobicContact CG1-CD1 3.76Å; V123-I255 HydrophobicContact CG1-CG2 4.19Å; V123-I255 HydrophobicContact CG2-CG2 3.82Å; M126-I255 HydrophobicContact CE-CD1 3.75Å; L127-I255 HydrophobicContact CD1-CD1 3.85Å; L225-I255 HydrophobicContact CD1-CD1 4.35Å; I226-I255 PolarHBondContact O-N 3.46Å; I227-I255 CarbonylContact C-O 3.15Å; I227-I255 VanDerWaalsContact CA-O 3.3Å; I227-I255 WeakPolarHBondContact CA-O 3.13Å; E228-I255 PolarHBondContact N-O 3.12Å; I255-V273 HydrophobicContact CG2-CG1 3.7Å; I255-L279 HydrophobicContact CD1-CD1 3.82Å; I255-L279 HydrophobicContact CG1-CD1 4.06Å
256R98.9Very high98Very high0 Ų020.4 Ų20.40%012%0.119CC..EExtended strand (participates in β ladder)trans-98.7134.6-179.3-179.3-178.617478.36.6110.5E228 D230 L246 I254 D258 V273 T274E228-R256 HydrophobicContact CB-CB 4.36Å; E228-R256 HydrophobicContact CB-CG 4.43Å; E228-R256 HydrophobicContact CG-CG 4.5Å; E228-R256 CarbonylContact O-C 3.56Å; E228-R256 WeakPolarHBondContact O-CA 3.29Å; E228-R256 IonicContact OE1-NH1 2.73Å; E228-R256 PolarHBondContact OE1-NH1 3.17Å; E228-R256 WeakPolarHBondContact OE2-CD 3.34Å; E228-R256 IonicContact OE2-CZ 3.81Å; E228-R256 IonicContact OE2-NH1 2.59Å; E228-R256 PolarHBondContact OE2-NH1 3.41Å; D230-R256 IonicContact OD2-CZ 3.3Å; D230-R256 VanDerWaalsContact OD2-CZ 3.23Å; D230-R256 IonicContact OD2-NH1 3.87Å; D230-R256 PolarHBondContact OD2-NH1 3.46Å; D230-R256 IonicContact OD2-NH2 2.84Å; D230-R256 PolarHBondContact OD2-NH2 3.38Å; L246-R256 HydrophobicContact CD2-CB 4.49Å; I254-R256 HydrophobicContact CG2-CB 4.44Å; R256-D258 VanDerWaalsContact CD-OD2 3.29Å; R256-D258 WeakPolarHBondContact CD-OD2 3.35Å; R256-D258 WeakPolarHBondContact CG-OD2 3.39Å; R256-D258 IonicContact CZ-OD1 2.93Å; R256-D258 VanDerWaalsContact CZ-OD1 3.25Å; R256-D258 IonicContact CZ-OD2 3.2Å; R256-D258 VanDerWaalsContact NE-CG 3.27Å; R256-D258 IonicContact NE-OD1 3.19Å; R256-D258 PolarHBondContact NE-OD1 3.33Å; R256-D258 IonicContact NE-OD2 2.82Å; R256-D258 PolarHBondContact NE-OD2 3.47Å; R256-D258 IonicContact NH2-OD1 3.54Å; R256-D258 PolarHBondContact NH2-OD1 3.49Å; R256-V273 CarbonylContact O-C 3.55Å; R256-V273 WeakPolarHBondContact O-CA 3.49Å; R256-T274 PolarHBondContact N-O 3.21Å; R256-T274 PolarHBondContact O-N 3.1Å
257T98.8Very high97.9Very high0 Ų023.1 Ų23.10%015%0.147CC..EExtended strand (participates in β ladder)trans-109.9125.4167.645.20000110.6L120 E228 D229 D230 V273L120-T257 HydrophobicContact CB-CG2 4.35Å; E228-T257 PolarHBondContact O-N 3.29Å; D229-T257 VanDerWaalsContact CA-OG1 3.27Å; D229-T257 WeakPolarHBondContact CA-OG1 3.41Å; D229-T257 WeakPolarHBondContact CB-OG1 3.47Å; D229-T257 PolarHBondContact OD1-OG1 2.89Å; D230-T257 PolarHBondContact N-O 2.9Å; T257-V273 HydrophobicContact CG2-CG2 3.99Å
258D98.8Very high97.9Very high1 Ų124 Ų241%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-116.1156.1178-73.4-78000110.3Q91 S116 R256 G271 F272Q91-D258 PolarHBondContact NE2-OD2 3.47Å; S116-D258 WeakPolarHBondContact CB-O 3.19Å; R256-D258 VanDerWaalsContact CD-OD2 3.29Å; R256-D258 WeakPolarHBondContact CD-OD2 3.35Å; R256-D258 WeakPolarHBondContact CG-OD2 3.39Å; R256-D258 IonicContact CZ-OD1 2.93Å; R256-D258 VanDerWaalsContact CZ-OD1 3.25Å; R256-D258 IonicContact CZ-OD2 3.2Å; R256-D258 VanDerWaalsContact NE-CG 3.27Å; R256-D258 IonicContact NE-OD1 3.19Å; R256-D258 PolarHBondContact NE-OD1 3.33Å; R256-D258 IonicContact NE-OD2 2.82Å; R256-D258 PolarHBondContact NE-OD2 3.47Å; R256-D258 IonicContact NH2-OD1 3.54Å; R256-D258 PolarHBondContact NH2-OD1 3.49Å; D258-G271 WeakPolarHBondContact O-CA 3.48Å; D258-F272 HydrophobicContact CB-CD1 4.02Å; D258-F272 HydrophobicContact CB-CD2 3.73Å; D258-F272 HydrophobicContact CB-CE1 3.55Å; D258-F272 HydrophobicContact CB-CE2 3.25Å; D258-F272 HydrophobicContact CB-CG 4.12Å; D258-F272 HydrophobicContact CB-CZ 3.15Å; D258-F272 VanDerWaalsContact CG-CE2 3.48Å; D258-F272 PolarHBondContact N-O 3.02Å; D258-F272 PolarHBondContact O-N 3.25Å; D258-F272 VanDerWaalsContact OD2-CE2 3.24Å; D258-F272 WeakPolarHBondContact OD2-CE2 3.31Å
259S98.5Very high98Very high7 Ų727.3 Ų27.35%0.04916%0.16CC..EExtended strand (participates in β ladder)trans-142132.6-174-162.20000112.4S261S259-S261 WeakPolarHBondContact OG-CB 3.35Å; S259-S261 PolarHBondContact OG-N 3.25Å; S259-S261 PolarHBondContact OG-OG 3.21Å
260F98.4Very high98.1Very high3 Ų327.4 Ų27.41%0.01316%0.16CC..SBendtrans-84.91.5165.7-66.5-50.1000112.8M87 K262 I263 L264 S265 I270 F272 V302 L306 F314M87-F260 HydrophobicContact CG-CZ 4.4Å; M87-F260 HydrophobicContact SD-CE2 3.88Å; M87-F260 HydrophobicContact SD-CZ 4.15Å; F260-K262 PolarHBondContact O-N 3.07Å; F260-K262 VanDerWaalsContact O-N 3.16Å; F260-I263 HydrophobicContact CD1-CD1 4.12Å; F260-I263 HydrophobicContact CD1-CG1 4.38Å; F260-I263 PolarHBondContact O-N 3.11Å; F260-L264 HydrophobicContact CB-CB 4.15Å; F260-L264 HydrophobicContact CB-CD1 4.02Å; F260-L264 HydrophobicContact CB-CG 4.25Å; F260-L264 HydrophobicContact CD1-CD1 3.77Å; F260-L264 HydrophobicContact CD1-CG 4.29Å; F260-L264 HydrophobicContact CD2-CD1 4.4Å; F260-L264 HydrophobicContact CE1-CD1 4.33Å; F260-L264 HydrophobicContact CG-CD1 3.82Å; F260-L264 HydrophobicContact CG-CG 4.45Å; F260-L264 PolarHBondContact O-N 3.34Å; F260-S265 PolarHBondContact O-N 3.44Å; F260-S265 VanDerWaalsContact O-N 3.1Å; F260-I270 HydrophobicContact CD2-CB 4.34Å; F260-I270 HydrophobicContact CD2-CG2 3.76Å; F260-I270 HydrophobicContact CE2-CG2 4.26Å; F260-I270 PolarHBondContact N-O 3.29Å; F260-F272 HydrophobicContact CE1-CE1 4.3Å; F260-F272 HydrophobicContact CE2-CD1 4.27Å; F260-F272 HydrophobicContact CE2-CE1 4.01Å; F260-F272 AromaticContact CZ-CE1 3.82Å; F260-F272 HydrophobicContact CZ-CE1 3.82Å; F260-V302 HydrophobicContact CD2-CG1 4.38Å; F260-V302 HydrophobicContact CE2-CG1 4.3Å; F260-L306 HydrophobicContact CE2-CD1 4.36Å; F260-L306 HydrophobicContact CZ-CD1 4.02Å; F260-F314 HydrophobicContact CE1-CE2 4.14Å; F260-F314 HydrophobicContact CE1-CZ 4.3Å
261S98.4Very high98.2Very high18 Ų1824.8 Ų24.813%0.12614%0.144CC..THydrogen-bonded Turntrans-64.5-24.2-171.5-62.60000114.3S259 S266S259-S261 WeakPolarHBondContact OG-CB 3.35Å; S259-S261 PolarHBondContact OG-N 3.25Å; S259-S261 PolarHBondContact OG-OG 3.21Å; S261-S266 WeakPolarHBondContact O-CB 3.48Å; S261-S266 PolarHBondContact O-N 3.31Å
262K98.3Very high98.3Very high72 Ų7223.2 Ų23.231%0.31314%0.136SC..THydrogen-bonded Turntrans-105.8-10.2-174-52.6-52.7-180-179.40113.9Y232 L235 F260 M353Y232-K262 HydrophobicContact CD1-CG 4.39Å; Y232-K262 HydrophobicContact CE1-CG 4.19Å; L235-K262 HydrophobicContact CD1-CB 3.75Å; F260-K262 PolarHBondContact O-N 3.07Å; F260-K262 VanDerWaalsContact O-N 3.16Å; K262-M353 HydrophobicContact CB-CE 4.04Å; K262-M353 HydrophobicContact CD-CE 3.75Å; K262-M353 HydrophobicContact CD-SD 4.32Å; K262-M353 HydrophobicContact CG-CE 4.09Å
263I97.4Very high98.4Very high12 Ų1223.3 Ų23.36%0.06214%0.136CC..THydrogen-bonded Turntrans-124-25-177.859.1158.8000113.8F234 L235 F260 F314 H317 V318 V321F234-I263 HydrophobicContact CB-CD1 4.02Å; F234-I263 HydrophobicContact CB-CG2 3.8Å; F234-I263 HydrophobicContact CD2-CD1 3.65Å; F234-I263 HydrophobicContact CE2-CD1 4.35Å; F234-I263 HydrophobicContact CG-CD1 3.93Å; L235-I263 HydrophobicContact CD2-CG2 4.13Å; L235-I263 HydrophobicContact CG-CG2 4.39Å; F260-I263 HydrophobicContact CD1-CD1 4.12Å; F260-I263 HydrophobicContact CD1-CG1 4.38Å; F260-I263 PolarHBondContact O-N 3.11Å; I263-F314 HydrophobicContact CD1-CE2 3.65Å; I263-F314 HydrophobicContact CD1-CZ 3.7Å; I263-H317 PolarHBondContact O-NE2 3.31Å; I263-V318 HydrophobicContact CD1-CG2 3.85Å; I263-V321 HydrophobicContact CG2-CG1 4.21Å
264L97.1Very high98.4Very high45 Ų4522.9 Ų22.924%0.23614%0.135CC..THydrogen-bonded Turntrans-117.1-67.8175.6-58.8-180000111.3F260 V302 L305 L306 W309F260-L264 HydrophobicContact CB-CB 4.15Å; F260-L264 HydrophobicContact CB-CD1 4.02Å; F260-L264 HydrophobicContact CB-CG 4.25Å; F260-L264 HydrophobicContact CD1-CD1 3.77Å; F260-L264 HydrophobicContact CD1-CG 4.29Å; F260-L264 HydrophobicContact CD2-CD1 4.4Å; F260-L264 HydrophobicContact CE1-CD1 4.33Å; F260-L264 HydrophobicContact CG-CD1 3.82Å; F260-L264 HydrophobicContact CG-CG 4.45Å; F260-L264 PolarHBondContact O-N 3.34Å; L264-V302 HydrophobicContact CD1-CG1 4.18Å; L264-L305 HydrophobicContact CD2-CD2 4.37Å; L264-L306 HydrophobicContact CD1-CD2 4.39Å; L264-W309 HydrophobicContact CD2-CH2 4.15Å; L264-W309 HydrophobicContact CD2-CZ3 3.84Å
265S98.2Very high98.4Very high40 Ų4023 Ų2328%0.2814%0.136SC..  trans-164.2126.3179.11800000112.4F260 G267 L268F260-S265 PolarHBondContact O-N 3.44Å; F260-S265 VanDerWaalsContact O-N 3.1Å; S265-G267 VanDerWaalsContact C-N 3.34Å; S265-G267 PolarHBondContact OG-N 2.96Å; S265-L268 PolarHBondContact OG-N 3.25Å
266S97.8Very high98.4Very high66 Ų6623 Ų2346%0.46214%0.136SC..THydrogen-bonded Turntrans-72.6-27.7170.757.70000112.7S261 R269S261-S266 WeakPolarHBondContact O-CB 3.48Å; S261-S266 PolarHBondContact O-N 3.31Å; S266-R269 VanDerWaalsContact O-CD 3.3Å; S266-R269 WeakPolarHBondContact O-CD 3.3Å; S266-R269 PolarHBondContact O-NH1 2.87Å
267G98.4Very high98.3Very high58 Ų5826.3 Ų26.360%0.59815%0.15SC*.THydrogen-bonded Turntrans-78.5-25.2-17600000114S265 R269S265-G267 VanDerWaalsContact C-N 3.34Å; S265-G267 PolarHBondContact OG-N 2.96Å; G267-R269 PolarHBondContact O-N 3.22Å
268L98.3Very high98.2Very high51 Ų5129 Ų2927%0.26717%0.167SC..THydrogen-bonded Turntrans-72.8-13.8176.6-63.6179000113.6S265 I270 P298 M301 V302S265-L268 PolarHBondContact OG-N 3.25Å; L268-I270 HydrophobicContact CB-CG1 4.42Å; L268-P298 HydrophobicContact CB-CB 4.11Å; L268-P298 HydrophobicContact CD2-CB 3.99Å; L268-P298 HydrophobicContact CG-CB 4.47Å; L268-M301 HydrophobicContact CD1-CE 3.22Å; L268-M301 HydrophobicContact CD2-CE 3.43Å; L268-M301 VanDerWaalsContact CD2-CE 3.43Å; L268-M301 HydrophobicContact CG-CE 3.95Å; L268-V302 HydrophobicContact CD1-CG2 3.94Å
269R98.6Very high98.2Very high101 Ų10129 Ų2938%0.38117%0.168SC..THydrogen-bonded Turntrans54.953178.7-48.9-50.1-54.4144.50.4112.4T114 G115 S266 G267T114-R269 CarbonylContact C-O 3.58Å; T114-R269 VanDerWaalsContact C-O 3.23Å; T114-R269 WeakPolarHBondContact CA-O 3.29Å; T114-R269 HydrophobicContact CG2-CB 3.69Å; T114-R269 HydrophobicContact CG2-CG 4.38Å; G115-R269 VanDerWaalsContact N-C 3.29Å; G115-R269 PolarHBondContact N-O 3.27Å; S266-R269 VanDerWaalsContact O-CD 3.3Å; S266-R269 WeakPolarHBondContact O-CD 3.3Å; S266-R269 PolarHBondContact O-NH1 2.87Å; G267-R269 PolarHBondContact O-N 3.22Å
270I98.7Very high98.2Very high2 Ų228.9 Ų28.91%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-116.8119.5174.5-56.5-174.4000110.1V112 F260 L268 T294 P298 Q299 V302V112-I270 HydrophobicContact CG1-CG2 4.18Å; F260-I270 HydrophobicContact CD2-CB 4.34Å; F260-I270 HydrophobicContact CD2-CG2 3.76Å; F260-I270 HydrophobicContact CE2-CG2 4.26Å; F260-I270 PolarHBondContact N-O 3.29Å; L268-I270 HydrophobicContact CB-CG1 4.42Å; I270-T294 HydrophobicContact CG1-CG2 4.32Å; I270-P298 HydrophobicContact CD1-CB 4.01Å; I270-P298 WeakPolarHBondContact CD1-O 3.31Å; I270-Q299 HydrophobicContact CD1-CG 4.18Å; I270-V302 HydrophobicContact CD1-CB 4.08Å; I270-V302 HydrophobicContact CD1-CG2 3.78Å
271G98.6Very high98.1Very high0 Ų031.5 Ų31.50%018%0.181CC..EExtended strand (participates in β ladder)trans-138.6-175.8165.700000109.1T113 D258T113-G271 PolarHBondContact N-O 2.8Å; T113-G271 PolarHBondContact O-N 2.91Å; T113-G271 VanDerWaalsContact O-N 3.1Å; T113-G271 PolarHBondContact OG1-O 3.29Å; D258-G271 WeakPolarHBondContact O-CA 3.48Å
272F98.8Very high98.1Very high1 Ų132.3 Ų32.30%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-154.7153.2176.754-86000112.1M87 Q91 M110 C111 D258 F260M87-F272 HydrophobicContact CE-CB 4.46Å; M87-F272 HydrophobicContact SD-CB 4.38Å; M87-F272 HydrophobicContact SD-CD1 3.52Å; M87-F272 VanDerWaalsContact SD-CD1 3.52Å; M87-F272 HydrophobicContact SD-CE1 3.85Å; M87-F272 HydrophobicContact SD-CG 3.95Å; M87-F272 HydrophobicContact SD-CZ 4.5Å; Q91-F272 HydrophobicContact CG-CE2 4.33Å; M110-F272 HydrophobicContact CE-CD2 3.32Å; M110-F272 HydrophobicContact CE-CE2 3.57Å; M110-F272 HydrophobicContact CE-CG 4.14Å; C111-F272 CarbonylContact O-C 3.23Å; C111-F272 WeakPolarHBondContact O-CA 3.36Å; C111-F272 WeakPolarHBondContact O-CB 3.3Å; D258-F272 HydrophobicContact CB-CD1 4.02Å; D258-F272 HydrophobicContact CB-CD2 3.73Å; D258-F272 HydrophobicContact CB-CE1 3.55Å; D258-F272 HydrophobicContact CB-CE2 3.25Å; D258-F272 HydrophobicContact CB-CG 4.12Å; D258-F272 HydrophobicContact CB-CZ 3.15Å; D258-F272 VanDerWaalsContact CG-CE2 3.48Å; D258-F272 PolarHBondContact N-O 3.02Å; D258-F272 PolarHBondContact O-N 3.25Å; D258-F272 VanDerWaalsContact OD2-CE2 3.24Å; D258-F272 WeakPolarHBondContact OD2-CE2 3.31Å; F260-F272 HydrophobicContact CE1-CE1 4.3Å; F260-F272 HydrophobicContact CE2-CD1 4.27Å; F260-F272 HydrophobicContact CE2-CE1 4.01Å; F260-F272 AromaticContact CZ-CE1 3.82Å; F260-F272 HydrophobicContact CZ-CE1 3.82Å
273V98.8Very high98.1Very high1 Ų129 Ų291%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-102134.2170.7178.10000108M110 C111 T113 I255 R256 T257 V280M110-V273 WeakPolarHBondContact CA-O 3.35Å; C111-V273 PolarHBondContact N-O 2.86Å; C111-V273 PolarHBondContact O-N 3.39Å; T113-V273 HydrophobicContact CG2-CG2 3.94Å; I255-V273 HydrophobicContact CG2-CG1 3.7Å; R256-V273 CarbonylContact O-C 3.55Å; R256-V273 WeakPolarHBondContact O-CA 3.49Å; T257-V273 HydrophobicContact CG2-CG2 3.99Å; V273-V280 HydrophobicContact CG1-CG2 4.47Å
274T98.8Very high98.1Very high0 Ų029.3 Ų29.30%017%0.169CC..EExtended strand (participates in β ladder)trans-119133.3168.2-52.60000108.8Q91 M108 D109 M110 L246 R256Q91-T274 HydrophobicContact CG-CG2 4.42Å; Q91-T274 PolarHBondContact NE2-OG1 3.39Å; Q91-T274 VanDerWaalsContact NE2-OG1 3.11Å; M108-T274 HydrophobicContact CG-CG2 3.62Å; M108-T274 HydrophobicContact SD-CG2 3.85Å; D109-T274 WeakPolarHBondContact O-CA 3.45Å; M110-T274 HydrophobicContact CG-CG2 3.97Å; L246-T274 HydrophobicContact CD1-CG2 4.33Å; L246-T274 HydrophobicContact CD2-CG2 3.72Å; R256-T274 PolarHBondContact N-O 3.21Å; R256-T274 PolarHBondContact O-N 3.1Å
275G98.3Very high98.2Very high3 Ų328.3 Ų28.33%0.03116%0.164CC..EExtended strand (participates in β ladder)trans175.6-167.717700000113.3D109 I254 K277D109-G275 PolarHBondContact N-O 2.96Å; D109-G275 PolarHBondContact O-N 2.89Å; D109-G275 VanDerWaalsContact O-N 3.1Å; I254-G275 WeakPolarHBondContact O-CA 3.49Å; G275-K277 PolarHBondContact O-N 2.87Å
276P97.9Very high98.2Very high1 Ų127.9 Ų27.91%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-62130.7179-21.831.3000111.4Y3 G252 I254 P278 L279 V280Y3-P276 HydrophobicContact CE1-CB 3.77Å; Y3-P276 HydrophobicContact CE1-CG 3.87Å; Y3-P276 HydrophobicContact CE2-CB 4.25Å; Y3-P276 WeakPolarHBondContact OH-CB 3.37Å; G252-P276 WeakPolarHBondContact O-CG 3.25Å; I254-P276 VanDerWaalsContact O-CD 3.28Å; I254-P276 WeakPolarHBondContact O-CD 3.4Å; P276-P278 VanDerWaalsContact C-CD 3.44Å; P276-P278 VanDerWaalsContact C-N 3.32Å; P276-P278 VanDerWaalsContact O-N 3.16Å; P276-L279 HydrophobicContact CB-CG 4.49Å; P276-L279 HydrophobicContact CG-CD1 4.26Å; P276-L279 PolarHBondContact O-N 2.82Å; P276-V280 PolarHBondContact O-N 2.98Å
277K96.9Very high98.2Very high70 Ų7024.8 Ų24.830%0.30414%0.136SC..Hα-helixtrans-45.3-47.4179.8179.5163.1-173.854.80114.3Q107 D109 G275 L279 V280 D281Q107-K277 WeakPolarHBondContact O-CB 3.36Å; Q107-K277 PolarHBondContact O-N 3.21Å; D109-K277 HydrophobicContact CB-CB 3.94Å; D109-K277 HydrophobicContact CB-CG 4.26Å; D109-K277 IonicContact OD2-NZ 3.3Å; D109-K277 PolarHBondContact OD2-NZ 2.89Å; G275-K277 PolarHBondContact O-N 2.87Å; K277-L279 PolarHBondContact O-N 2.96Å; K277-L279 VanDerWaalsContact O-N 3.11Å; K277-V280 PolarHBondContact O-N 2.77Å; K277-D281 WeakPolarHBondContact CE-OD2 3.49Å; K277-D281 WeakPolarHBondContact CG-OD2 3.36Å; K277-D281 IonicContact NZ-OD1 3.56Å; K277-D281 PolarHBondContact NZ-OD1 2.87Å; K277-D281 IonicContact NZ-OD2 2.64Å; K277-D281 PolarHBondContact NZ-OD2 2.93Å; K277-D281 WeakPolarHBondContact O-CB 3.38Å; K277-D281 PolarHBondContact O-N 2.72Å
278P96.8Very high98Very high56 Ų5623.2 Ų23.236%0.36411%0.113SC..Hα-helixtrans-60.3-25.5-179.3-26.638000114.6Y3 P276 R282Y3-P278 HydrophobicContact CD2-CB 3.72Å; Y3-P278 HydrophobicContact CD2-CG 3.64Å; Y3-P278 HydrophobicContact CE2-CB 4.36Å; Y3-P278 HydrophobicContact CE2-CG 3.88Å; Y3-P278 HydrophobicContact CG-CB 4.1Å; Y3-P278 HydrophobicContact CG-CG 4.48Å; P276-P278 VanDerWaalsContact C-CD 3.44Å; P276-P278 VanDerWaalsContact C-N 3.32Å; P276-P278 VanDerWaalsContact O-N 3.16Å; P278-R282 WeakPolarHBondContact O-CG 3.2Å
279L98.3Very high97.7Very high3 Ų324.5 Ų24.52%0.01613%0.131CC..Hα-helixtrans-89.1-43.3177.1-58.1-177.4000111.2Y3 L7 M126 L225 I255 P276 K277 D281 R282 V283Y3-L279 HydrophobicContact CD1-CD1 3.76Å; Y3-L279 HydrophobicContact CD1-CD2 3.89Å; Y3-L279 HydrophobicContact CD1-CG 3.72Å; Y3-L279 HydrophobicContact CE1-CD1 4Å; Y3-L279 HydrophobicContact CE1-CG 4.23Å; Y3-L279 HydrophobicContact CG-CD2 4.21Å; Y3-L279 HydrophobicContact CG-CG 4.29Å; L7-L279 HydrophobicContact CD2-CD2 3.86Å; M126-L279 HydrophobicContact CE-CB 4.06Å; M126-L279 HydrophobicContact CE-CD2 4.4Å; M126-L279 HydrophobicContact SD-CB 4.2Å; M126-L279 HydrophobicContact SD-CD2 4.31Å; L225-L279 HydrophobicContact CD1-CD1 3.79Å; L225-L279 HydrophobicContact CD2-CD1 4.17Å; I255-L279 HydrophobicContact CD1-CD1 3.82Å; I255-L279 HydrophobicContact CG1-CD1 4.06Å; P276-L279 HydrophobicContact CB-CG 4.49Å; P276-L279 HydrophobicContact CG-CD1 4.26Å; P276-L279 PolarHBondContact O-N 2.82Å; K277-L279 PolarHBondContact O-N 2.96Å; K277-L279 VanDerWaalsContact O-N 3.11Å; L279-D281 VanDerWaalsContact C-N 3.26Å; L279-D281 PolarHBondContact O-N 3.44Å; L279-R282 WeakPolarHBondContact O-CB 3.4Å; L279-R282 PolarHBondContact O-N 3.23Å; L279-V283 PolarHBondContact O-N 2.97Å
280V98.4Very high97.6Very high3 Ų322.5 Ų22.52%0.01813%0.132CC..Hα-helixtrans-58.4-40.4175.3175.80000111D109 C111 V273 P276 K277 R282 V283 V284D109-V280 HydrophobicContact CB-CB 4.26Å; D109-V280 HydrophobicContact CB-CG1 4.25Å; D109-V280 HydrophobicContact CB-CG2 4.41Å; C111-V280 HydrophobicContact CB-CG1 3.94Å; V273-V280 HydrophobicContact CG1-CG2 4.47Å; P276-V280 PolarHBondContact O-N 2.98Å; K277-V280 PolarHBondContact O-N 2.77Å; V280-R282 PolarHBondContact O-N 3.1Å; V280-V283 WeakPolarHBondContact O-CB 3.48Å; V280-V283 PolarHBondContact O-N 3.2Å; V280-V284 HydrophobicContact CG1-CG2 4.46Å; V280-V284 WeakPolarHBondContact O-CG2 2.93Å; V280-V284 PolarHBondContact O-N 2.84Å
281D97.3Very high97.5Very high58 Ų5825 Ų2531%0.3115%0.148SC..Hα-helixtrans-59.4-33176.6-72.7-17.4000111.8K277 L279 V284 L285K277-D281 WeakPolarHBondContact CE-OD2 3.49Å; K277-D281 WeakPolarHBondContact CG-OD2 3.36Å; K277-D281 IonicContact NZ-OD1 3.56Å; K277-D281 PolarHBondContact NZ-OD1 2.87Å; K277-D281 IonicContact NZ-OD2 2.64Å; K277-D281 PolarHBondContact NZ-OD2 2.93Å; K277-D281 WeakPolarHBondContact O-CB 3.38Å; K277-D281 PolarHBondContact O-N 2.72Å; L279-D281 VanDerWaalsContact C-N 3.26Å; L279-D281 PolarHBondContact O-N 3.44Å; D281-V284 PolarHBondContact O-N 3.03Å; D281-L285 WeakPolarHBondContact O-CG 3.29Å; D281-L285 PolarHBondContact O-N 2.89Å
282R98.4Very high97.3Very high36 Ų3627.7 Ų27.714%0.13616%0.161CC..Hα-helixtrans-70.2-37.3175.4-48.8-54.4-82.6173.6-49.9112.3L7 S11 A12 R14 M126 P278 L279 V280 L285 H286L7-R282 HydrophobicContact CD1-CG 4.3Å; L7-R282 HydrophobicContact CD2-CG 3.95Å; S11-R282 PolarHBondContact O-NE 2.96Å; S11-R282 PolarHBondContact O-NH1 3.42Å; S11-R282 PolarHBondContact O-NH2 3.25Å; S11-R282 PolarHBondContact OG-NE 2.93Å; A12-R282 PolarHBondContact O-NH2 3.12Å; R14-R282 PolarHBondContact O-NH1 2.86Å; M126-R282 HydrophobicContact CG-CB 4.22Å; M126-R282 HydrophobicContact SD-CB 3.63Å; M126-R282 HydrophobicContact SD-CG 4.03Å; P278-R282 WeakPolarHBondContact O-CG 3.2Å; L279-R282 WeakPolarHBondContact O-CB 3.4Å; L279-R282 PolarHBondContact O-N 3.23Å; V280-R282 PolarHBondContact O-N 3.1Å; R282-L285 VanDerWaalsContact NH1-CD1 3.3Å; R282-L285 PolarHBondContact O-N 3.26Å; R282-H286 PolarHBondContact O-N 2.72Å
283V98.6Very high97.1Very high2 Ų228.7 Ų28.71%0.01217%0.166CC..Hα-helixtrans-62.2-46.4173.8177.90000109.8K122 V123 L279 V280 L285 H286 I287K122-V283 HydrophobicContact CB-CG1 4.17Å; K122-V283 HydrophobicContact CD-CG1 4.23Å; V123-V283 HydrophobicContact CG2-CG2 3.93Å; L279-V283 PolarHBondContact O-N 2.97Å; V280-V283 WeakPolarHBondContact O-CB 3.48Å; V280-V283 PolarHBondContact O-N 3.2Å; V283-L285 PolarHBondContact O-N 2.92Å; V283-H286 WeakPolarHBondContact O-CB 3.48Å; V283-H286 PolarHBondContact O-N 2.86Å; V283-H286 VanDerWaalsContact O-N 3.12Å; V283-I287 HydrophobicContact CG1-CD1 3.99Å; V283-I287 WeakPolarHBondContact O-CG1 3.39Å; V283-I287 PolarHBondContact O-N 3.41Å
284V97.9Very high97.1Very high18 Ų1828.8 Ų28.811%0.10917%0.166CC..Hα-helixtrans-59.1-46176.2175.40000111.3C111 V280 D281 H286 I287 Q288C111-V284 HydrophobicContact CB-CG2 4.01Å; V280-V284 HydrophobicContact CG1-CG2 4.46Å; V280-V284 WeakPolarHBondContact O-CG2 2.93Å; V280-V284 PolarHBondContact O-N 2.84Å; D281-V284 PolarHBondContact O-N 3.03Å; V284-H286 VanDerWaalsContact C-N 3.26Å; V284-H286 PolarHBondContact O-N 3.02Å; V284-I287 WeakPolarHBondContact O-CB 3.5Å; V284-I287 PolarHBondContact O-N 3.48Å; V284-I287 VanDerWaalsContact O-N 3.14Å; V284-Q288 WeakPolarHBondContact O-CG 3.49Å; V284-Q288 PolarHBondContact O-N 3.45Å
285L97.7Very high97.1Very high24 Ų2432 Ų3213%0.12619%0.189CC..Hα-helixtrans-62.8-32.7176.7-70.8174.6000112.7R14 P16 D281 R282 V283R14-L285 HydrophobicContact CB-CB 4.12Å; R14-L285 HydrophobicContact CB-CD1 4.26Å; P16-L285 VanDerWaalsContact CA-CD2 3.42Å; P16-L285 HydrophobicContact CB-CD2 4.16Å; P16-L285 HydrophobicContact CG-CD2 4.09Å; D281-L285 WeakPolarHBondContact O-CG 3.29Å; D281-L285 PolarHBondContact O-N 2.89Å; R282-L285 VanDerWaalsContact NH1-CD1 3.3Å; R282-L285 PolarHBondContact O-N 3.26Å; V283-L285 PolarHBondContact O-N 2.92Å
286H98.2Very high97.1Very high31 Ų3132 Ų3214%0.14419%0.188CC..Hα-helixtrans-69.3-45.8172-165.3175.2000110.9R14 K122 E125 R282 V283 V284 Q288 A289 S290R14-H286 PolarHBondContact NH1-CD2 3.05Å; R14-H286 VanDerWaalsContact NH1-CD2 3.34Å; R14-H286 PolarHBondContact NH2-CD2 3.41Å; R14-H286 PolarHBondContact NH2-CE1 2.76Å; R14-H286 VanDerWaalsContact NH2-CE1 3.31Å; R14-H286 PolarHBondContact NH2-ND1 3.31Å; R14-H286 PolarHBondContact NH2-NE2 3.13Å; R14-H286 VanDerWaalsContact NH2-NE2 3.11Å; K122-H286 HydrophobicContact CD-CB 4.29Å; K122-H286 PolarHBondContact NZ-CD2 3.24Å; E125-H286 IonicContact OE2-CE1 3.9Å; E125-H286 PolarHBondContact OE2-CE1 2.98Å; E125-H286 IonicContact OE2-ND1 3.47Å; E125-H286 PolarHBondContact OE2-ND1 2.79Å; R282-H286 PolarHBondContact O-N 2.72Å; V283-H286 WeakPolarHBondContact O-CB 3.48Å; V283-H286 PolarHBondContact O-N 2.86Å; V283-H286 VanDerWaalsContact O-N 3.12Å; V284-H286 VanDerWaalsContact C-N 3.26Å; V284-H286 PolarHBondContact O-N 3.02Å; H286-Q288 VanDerWaalsContact C-N 3.28Å; H286-Q288 PolarHBondContact O-N 2.92Å; H286-A289 PolarHBondContact O-N 2.96Å; H286-A289 VanDerWaalsContact O-N 3.08Å; H286-S290 PolarHBondContact O-N 3.37Å; H286-S290 PolarHBondContact O-OG 2.86Å
287I97.8Very high97.1Very high1 Ų134.6 Ų34.61%0.00520%0.199CC..Hα-helixtrans-56.4-42.5177-72.3165.8000111.5C111 T113 K122 V283 V284 A289 S290 T291 M292C111-I287 WeakPolarHBondContact SG-CD1 3.47Å; T113-I287 HydrophobicContact CG2-CD1 4.29Å; K122-I287 HydrophobicContact CD-CD1 4.34Å; K122-I287 HydrophobicContact CD-CG1 3.64Å; V283-I287 HydrophobicContact CG1-CD1 3.99Å; V283-I287 WeakPolarHBondContact O-CG1 3.39Å; V283-I287 PolarHBondContact O-N 3.41Å; V284-I287 WeakPolarHBondContact O-CB 3.5Å; V284-I287 PolarHBondContact O-N 3.48Å; V284-I287 VanDerWaalsContact O-N 3.14Å; I287-A289 PolarHBondContact O-N 3.34Å; I287-A289 VanDerWaalsContact O-N 3.08Å; I287-S290 PolarHBondContact O-N 2.83Å; I287-T291 PolarHBondContact O-N 2.87Å; I287-M292 WeakPolarHBondContact CG2-O 3.46Å; I287-M292 WeakPolarHBondContact O-CA 3.24Å; I287-M292 PolarHBondContact O-N 3.23Å
288Q94.6Very high97.2Very high26 Ų2631.9 Ų31.912%0.12119%0.189CC..Hα-helixtrans-54.4-29.8177.6-78.7179.72.500114R20 S77 V284 H286R20-Q288 HydrophobicContact CB-CG 4.48Å; R20-Q288 HydrophobicContact CG-CG 4.3Å; S77-Q288 WeakPolarHBondContact OG-CG 3.47Å; V284-Q288 WeakPolarHBondContact O-CG 3.49Å; V284-Q288 PolarHBondContact O-N 3.45Å; H286-Q288 VanDerWaalsContact C-N 3.28Å; H286-Q288 PolarHBondContact O-N 2.92Å
289A93.3Very high97.3Very high78 Ų7829.2 Ų29.265%0.64517%0.172SC*.THydrogen-bonded Turntrans-100.8-2.2-179.400000113.7H286 I287H286-A289 PolarHBondContact O-N 2.96Å; H286-A289 VanDerWaalsContact O-N 3.08Å; I287-A289 PolarHBondContact O-N 3.34Å; I287-A289 VanDerWaalsContact O-N 3.08Å
290S96.2Very high97.3Very high58 Ų5829.2 Ų29.241%0.40617%0.171SC..THydrogen-bonded Turntrans-118.4-85.2177.868.50000111.9K122 H286 I287 M292K122-S290 PolarHBondContact NZ-OG 2.65Å; H286-S290 PolarHBondContact O-N 3.37Å; H286-S290 PolarHBondContact O-OG 2.86Å; I287-S290 PolarHBondContact O-N 2.83Å; S290-M292 VanDerWaalsContact C-N 3.35Å
291T96.6Very high97.3Very high56 Ų5630.5 Ų30.534%0.34418%0.178SC..THydrogen-bonded Turntrans-89.1-9.5-171.337.20000111.8E118 I287 H293E118-T291 WeakPolarHBondContact OE1-CB 3.33Å; E118-T291 VanDerWaalsContact OE1-CG2 3.3Å; E118-T291 WeakPolarHBondContact OE1-CG2 3.47Å; E118-T291 PolarHBondContact OE1-OG1 3.43Å; I287-T291 PolarHBondContact O-N 2.87Å; T291-H293 PolarHBondContact O-N 2.71Å
292M93Very high97.3Very high56 Ų5628 Ų2828%0.27617%0.165SC..SBendtrans65.3-53.6-171.9-57.2176.9-79.800113.1R20 Y74 S77 I287 S290R20-M292 PolarHBondContact NH2-SD 3.33Å; Y74-M292 HydrophobicContact CD1-CE 4.47Å; Y74-M292 HydrophobicContact CD1-SD 4.4Å; Y74-M292 HydrophobicContact CE1-CE 3.63Å; Y74-M292 HydrophobicContact CE1-SD 3.82Å; S77-M292 WeakPolarHBondContact CA-O 3.45Å; S77-M292 WeakPolarHBondContact CB-O 3.22Å; S77-M292 PolarHBondContact OG-O 3.18Å; I287-M292 WeakPolarHBondContact CG2-O 3.46Å; I287-M292 WeakPolarHBondContact O-CA 3.24Å; I287-M292 PolarHBondContact O-N 3.23Å; S290-M292 VanDerWaalsContact C-N 3.35Å
293H95.8Very high97.3Very high22 Ų2226.5 Ų26.510%0.10216%0.159CC..SBendtrans-163.8159.8172.356.384000109.3Y74 S75 A76 T291 T296Y74-H293 VanDerWaalsContact CA-NE2 3.31Å; Y74-H293 WeakPolarHBondContact CA-NE2 3.22Å; Y74-H293 AromaticContact CD1-NE2 3.5Å; Y74-H293 WeakPolarHBondContact CD1-NE2 3.35Å; S75-H293 PolarHBondContact N-CD2 3.48Å; S75-H293 PolarHBondContact N-NE2 3.22Å; S75-H293 PolarHBondContact O-CD2 3.21Å; S75-H293 PolarHBondContact OG-ND1 3.04Å; A76-H293 WeakPolarHBondContact O-CB 3.3Å; T291-H293 PolarHBondContact O-N 2.71Å; H293-T296 PolarHBondContact CE1-OG1 3.21Å
294T98.3Very high97.3Very high3 Ų329.3 Ų29.32%0.01817%0.173CC..SBendtrans-59.3144.8165.7-54.90000109.8V112 T113 T114 I270 T296 Q299V112-T294 HydrophobicContact CG1-CG2 4.24Å; T113-T294 WeakPolarHBondContact CA-OG1 3.18Å; T113-T294 PolarHBondContact O-OG1 2.94Å; T114-T294 PolarHBondContact N-OG1 2.97Å; T114-T294 PolarHBondContact OG1-OG1 3.4Å; I270-T294 HydrophobicContact CG1-CG2 4.32Å; T294-T296 PolarHBondContact O-N 3.1Å; T294-Q299 HydrophobicContact CG2-CG 4.22Å; T294-Q299 PolarHBondContact O-NE2 3.33Å
295S98.6Very high97.3Very high67 Ų6729.9 Ų29.947%0.46918%0.175SC..  trans-49.3128.3-177.4-179.30000112.1F297 P298 Q299S295-F297 VanDerWaalsContact C-N 3.3Å; S295-F297 PolarHBondContact O-N 2.82Å; S295-P298 VanDerWaalsContact CB-CD 3.49Å; S295-P298 VanDerWaalsContact O-CD 3.29Å; S295-P298 WeakPolarHBondContact O-CD 3.24Å; S295-P298 WeakPolarHBondContact O-CG 3.19Å; S295-P298 WeakPolarHBondContact OG-CD 3.42Å; S295-Q299 WeakPolarHBondContact O-CG 3.5Å; S295-Q299 PolarHBondContact O-N 2.94Å; S295-Q299 PolarHBondContact O-NE2 3.22Å
296T98.4Very high97.3Very high4 Ų428.7 Ų28.73%0.02517%0.169CC..Hα-helixtrans-65.2-37.3-175.5-47.90000111A71 Q73 S75 I80 H293 T294 Q299 L300A71-T296 WeakPolarHBondContact O-CB 3.5Å; Q73-T296 PolarHBondContact O-OG1 3.38Å; S75-T296 VanDerWaalsContact CB-OG1 3.31Å; S75-T296 WeakPolarHBondContact CB-OG1 3.28Å; S75-T296 PolarHBondContact OG-OG1 2.91Å; I80-T296 HydrophobicContact CG2-CG2 4.02Å; H293-T296 PolarHBondContact CE1-OG1 3.21Å; T294-T296 PolarHBondContact O-N 3.1Å; T296-Q299 WeakPolarHBondContact O-CB 3.43Å; T296-Q299 PolarHBondContact O-N 3.02Å; T296-L300 HydrophobicContact CG2-CD1 4.06Å; T296-L300 HydrophobicContact CG2-CG 4.4Å; T296-L300 WeakPolarHBondContact O-CG 3.33Å; T296-L300 PolarHBondContact O-N 2.78Å
297F98.7Very high97.3Very high55 Ų5531.7 Ų31.724%0.24118%0.182CC..Hα-helixtrans-58.4-57.6-178.6-170.4-76.9000114.3F53 F63 M68 A71 L72 S295 Q299 L300 M301F53-F297 HydrophobicContact CE1-CE1 4.19Å; F53-F297 HydrophobicContact CE1-CZ 4.42Å; F53-F297 HydrophobicContact CE2-CE1 4.4Å; F53-F297 HydrophobicContact CE2-CZ 4.39Å; F53-F297 AromaticContact CZ-CE1 3.48Å; F53-F297 HydrophobicContact CZ-CE1 3.48Å; F53-F297 VanDerWaalsContact CZ-CE1 3.48Å; F53-F297 AromaticContact CZ-CZ 3.55Å; F53-F297 HydrophobicContact CZ-CZ 3.55Å; F63-F297 HydrophobicContact CD2-CD2 4.27Å; F63-F297 AromaticContact CD2-CE2 3.93Å; F63-F297 HydrophobicContact CD2-CE2 3.93Å; F63-F297 HydrophobicContact CD2-CZ 4.23Å; F63-F297 HydrophobicContact CE2-CD1 4.31Å; F63-F297 HydrophobicContact CE2-CD2 4.1Å; F63-F297 HydrophobicContact CE2-CE1 4.27Å; F63-F297 HydrophobicContact CE2-CE2 4.04Å; F63-F297 HydrophobicContact CE2-CG 4.23Å; F63-F297 HydrophobicContact CE2-CZ 4.15Å; M68-F297 HydrophobicContact CE-CE2 3.87Å; M68-F297 HydrophobicContact SD-CD2 4.27Å; M68-F297 HydrophobicContact SD-CE2 3.77Å; A71-F297 HydrophobicContact CB-CB 4.16Å; A71-F297 HydrophobicContact CB-CD2 3.62Å; A71-F297 HydrophobicContact CB-CE2 4.45Å; A71-F297 HydrophobicContact CB-CG 4.21Å; A71-F297 WeakPolarHBondContact O-CB 3.48Å; A71-F297 PolarHBondContact O-N 3.16Å; A71-F297 VanDerWaalsContact O-N 3.15Å; L72-F297 HydrophobicContact CD2-CD2 4.29Å; S295-F297 VanDerWaalsContact C-N 3.3Å; S295-F297 PolarHBondContact O-N 2.82Å; F297-Q299 VanDerWaalsContact C-N 3.28Å; F297-Q299 PolarHBondContact O-N 3.04Å; F297-L300 PolarHBondContact O-N 3.39Å; F297-M301 PolarHBondContact O-N 3.3Å; F297-M301 VanDerWaalsContact O-N 3.08Å
298P98.3Very high97.2Very high13 Ų1334.8 Ų34.88%0.08422%0.215CC..Hα-helixtrans-67.1-29.1176.929.1-36.9000112.1L268 I270 S295 M301 V302L268-P298 HydrophobicContact CB-CB 4.11Å; L268-P298 HydrophobicContact CD2-CB 3.99Å; L268-P298 HydrophobicContact CG-CB 4.47Å; I270-P298 HydrophobicContact CD1-CB 4.01Å; I270-P298 WeakPolarHBondContact CD1-O 3.31Å; S295-P298 VanDerWaalsContact CB-CD 3.49Å; S295-P298 VanDerWaalsContact O-CD 3.29Å; S295-P298 WeakPolarHBondContact O-CD 3.24Å; S295-P298 WeakPolarHBondContact O-CG 3.19Å; S295-P298 WeakPolarHBondContact OG-CD 3.42Å; P298-M301 PolarHBondContact O-N 2.79Å; P298-V302 WeakPolarHBondContact O-CB 3.42Å; P298-V302 WeakPolarHBondContact O-CG2 3.38Å; P298-V302 PolarHBondContact O-N 2.98Å
299Q98.8Very high97.3Very high0 Ų036.5 Ų36.50%022%0.22CC..Hα-helixtrans-62.7-44.2173.4-76.6-173.179.900111.6I80 L83 V112 I270 T294 S295 T296 F297 M301 S303I80-Q299 HydrophobicContact CD1-CB 3.82Å; I80-Q299 HydrophobicContact CG1-CB 4.09Å; L83-Q299 HydrophobicContact CD2-CB 4.02Å; L83-Q299 HydrophobicContact CD2-CG 3.97Å; V112-Q299 HydrophobicContact CG1-CG 4.26Å; I270-Q299 HydrophobicContact CD1-CG 4.18Å; T294-Q299 HydrophobicContact CG2-CG 4.22Å; T294-Q299 PolarHBondContact O-NE2 3.33Å; S295-Q299 WeakPolarHBondContact O-CG 3.5Å; S295-Q299 PolarHBondContact O-N 2.94Å; S295-Q299 PolarHBondContact O-NE2 3.22Å; T296-Q299 WeakPolarHBondContact O-CB 3.43Å; T296-Q299 PolarHBondContact O-N 3.02Å; F297-Q299 VanDerWaalsContact C-N 3.28Å; F297-Q299 PolarHBondContact O-N 3.04Å; Q299-M301 VanDerWaalsContact C-N 3.33Å; Q299-S303 WeakPolarHBondContact O-CB 3.49Å; Q299-S303 PolarHBondContact O-N 2.85Å
300L98.6Very high97.5Very high2 Ų234 Ų341%0.0120%0.202CC..Hα-helixtrans-64.2-39.2175.5-74.6168.3000111.7F63 M67 R70 A71 I80 T296 F297 S303 Q304F63-L300 HydrophobicContact CE1-CB 4.22Å; F63-L300 HydrophobicContact CE2-CB 4.29Å; F63-L300 HydrophobicContact CZ-CB 3.65Å; M67-L300 HydrophobicContact SD-CD1 3.88Å; M67-L300 HydrophobicContact SD-CD2 3.91Å; M67-L300 HydrophobicContact SD-CG 4.43Å; R70-L300 HydrophobicContact CG-CD1 4.34Å; A71-L300 HydrophobicContact CB-CD1 3.66Å; I80-L300 HydrophobicContact CD1-CD2 3.68Å; I80-L300 HydrophobicContact CD1-CG 3.97Å; T296-L300 HydrophobicContact CG2-CD1 4.06Å; T296-L300 HydrophobicContact CG2-CG 4.4Å; T296-L300 WeakPolarHBondContact O-CG 3.33Å; T296-L300 PolarHBondContact O-N 2.78Å; F297-L300 PolarHBondContact O-N 3.39Å; L300-S303 PolarHBondContact O-N 3.04Å; L300-Q304 WeakPolarHBondContact O-CG 3.2Å; L300-Q304 PolarHBondContact O-N 3.06Å
301M98.2Very high97.5Very high31 Ų3134.2 Ų34.215%0.15320%0.196CC..Hα-helixtrans-64.6-48.1179.3-173.5179.565.800110.8F53 I61 F63 L268 F297 P298 Q299 L305F53-M301 HydrophobicContact CD1-SD 3.78Å; F53-M301 HydrophobicContact CD2-CG 4.19Å; F53-M301 HydrophobicContact CD2-SD 4.07Å; F53-M301 HydrophobicContact CE1-SD 3.81Å; F53-M301 HydrophobicContact CE2-CG 4.28Å; F53-M301 HydrophobicContact CE2-SD 4.09Å; F53-M301 HydrophobicContact CG-CG 4.49Å; F53-M301 HydrophobicContact CG-SD 3.91Å; F53-M301 HydrophobicContact CZ-SD 3.96Å; I61-M301 HydrophobicContact CD1-CG 4.49Å; F63-M301 HydrophobicContact CZ-CB 4.05Å; L268-M301 HydrophobicContact CD1-CE 3.22Å; L268-M301 HydrophobicContact CD2-CE 3.43Å; L268-M301 VanDerWaalsContact CD2-CE 3.43Å; L268-M301 HydrophobicContact CG-CE 3.95Å; F297-M301 PolarHBondContact O-N 3.3Å; F297-M301 VanDerWaalsContact O-N 3.08Å; P298-M301 PolarHBondContact O-N 2.79Å; Q299-M301 VanDerWaalsContact C-N 3.33Å; M301-L305 WeakPolarHBondContact O-CB 3.31Å; M301-L305 PolarHBondContact O-N 3.19Å
302V98.3Very high97.5Very high5 Ų538.6 Ų38.63%0.0321%0.213CC..Hα-helixtrans-66.1-39175.7170.40000111.1L83 F260 L264 L268 I270 P298 L305 L306L83-V302 HydrophobicContact CD1-CG1 4.18Å; F260-V302 HydrophobicContact CD2-CG1 4.38Å; F260-V302 HydrophobicContact CE2-CG1 4.3Å; L264-V302 HydrophobicContact CD1-CG1 4.18Å; L268-V302 HydrophobicContact CD1-CG2 3.94Å; I270-V302 HydrophobicContact CD1-CB 4.08Å; I270-V302 HydrophobicContact CD1-CG2 3.78Å; P298-V302 WeakPolarHBondContact O-CB 3.42Å; P298-V302 WeakPolarHBondContact O-CG2 3.38Å; P298-V302 PolarHBondContact O-N 2.98Å; V302-L305 PolarHBondContact O-N 2.89Å; V302-L306 HydrophobicContact CG1-CD1 3.57Å; V302-L306 HydrophobicContact CG1-CG 4.02Å; V302-L306 WeakPolarHBondContact O-CB 3.34Å; V302-L306 WeakPolarHBondContact O-CG 3.22Å; V302-L306 PolarHBondContact O-N 3.27Å
303S98.4Very high97.7Very high4 Ų436.8 Ų36.83%0.02821%0.209CC..Hα-helixtrans-61.4-49.3177.3-170.80000111.8E82 Q299 L300 L305 L306 H307E82-S303 WeakPolarHBondContact CG-OG 3.36Å; Q299-S303 WeakPolarHBondContact O-CB 3.49Å; Q299-S303 PolarHBondContact O-N 2.85Å; L300-S303 PolarHBondContact O-N 3.04Å; S303-L305 VanDerWaalsContact C-N 3.32Å; S303-L305 PolarHBondContact O-N 2.95Å; S303-L306 PolarHBondContact O-N 2.96Å; S303-H307 WeakPolarHBondContact O-CB 3.28Å; S303-H307 PolarHBondContact O-N 2.94Å; S303-H307 PolarHBondContact O-ND1 2.78Å; S303-H307 PolarHBondContact OG-CE1 3.11Å; S303-H307 PolarHBondContact OG-ND1 2.75Å
304Q98Very high97.8Very high62 Ų6235.8 Ų35.829%0.2920%0.204SC..Hα-helixtrans-62.5-40.4177.9-71.6-16824.400111.7I61 L300 G308I61-Q304 HydrophobicContact CD1-CB 4.46Å; I61-Q304 HydrophobicContact CG2-CB 4.14Å; L300-Q304 WeakPolarHBondContact O-CG 3.2Å; L300-Q304 PolarHBondContact O-N 3.06Å; Q304-G308 PolarHBondContact O-N 3.5Å
305L98.1Very high97.8Very high29 Ų2937 Ų3715%0.15221%0.21CC..Hα-helixtrans-58-52.5174.4-178.166.1000111.8V55 I61 L264 M301 V302 S303 H307 G308 W309V55-L305 HydrophobicContact CB-CD1 4.42Å; V55-L305 HydrophobicContact CG1-CD1 3.63Å; V55-L305 HydrophobicContact CG2-CD1 3.88Å; I61-L305 HydrophobicContact CD1-CB 3.86Å; I61-L305 HydrophobicContact CD1-CD1 4.3Å; L264-L305 HydrophobicContact CD2-CD2 4.37Å; M301-L305 WeakPolarHBondContact O-CB 3.31Å; M301-L305 PolarHBondContact O-N 3.19Å; V302-L305 PolarHBondContact O-N 2.89Å; S303-L305 VanDerWaalsContact C-N 3.32Å; S303-L305 PolarHBondContact O-N 2.95Å; L305-H307 PolarHBondContact O-N 2.82Å; L305-G308 PolarHBondContact O-N 2.67Å; L305-W309 HydrophobicContact CD1-CD2 4.04Å; L305-W309 HydrophobicContact CD1-CE3 4.49Å; L305-W309 HydrophobicContact CD1-CH2 4.18Å; L305-W309 HydrophobicContact CD1-CZ2 3.68Å; L305-W309 HydrophobicContact CD2-CH2 3.97Å; L305-W309 HydrophobicContact CD2-CZ2 4.31Å; L305-W309 HydrophobicContact CD2-CZ3 4.08Å; L305-W309 HydrophobicContact CG-CD2 4.12Å; L305-W309 HydrophobicContact CG-CE3 4.13Å; L305-W309 HydrophobicContact CG-CH2 4.2Å; L305-W309 HydrophobicContact CG-CZ2 4.18Å; L305-W309 HydrophobicContact CG-CZ3 4.18Å; L305-W309 WeakPolarHBondContact O-CB 3.48Å; L305-W309 PolarHBondContact O-N 2.59Å
306L97.8Very high97.8Very high0 Ų038.2 Ų38.20%021%0.212CC..Hα-helixtrans-68-34.8-176-68.4176.9000112.7L83 W86 F260 L264 V302 S303 W309 G310 F314L83-L306 HydrophobicContact CD1-CD1 3.92Å; W86-L306 HydrophobicContact CD2-CB 3.94Å; W86-L306 HydrophobicContact CD2-CD1 4.3Å; W86-L306 HydrophobicContact CE3-CB 4.3Å; W86-L306 HydrophobicContact CE3-CD1 3.83Å; W86-L306 HydrophobicContact CG-CB 4.4Å; W86-L306 HydrophobicContact CH2-CB 4.33Å; W86-L306 HydrophobicContact CH2-CD1 4.29Å; W86-L306 HydrophobicContact CH2-CD2 3.85Å; W86-L306 HydrophobicContact CH2-CG 4.38Å; W86-L306 HydrophobicContact CZ2-CB 3.93Å; W86-L306 HydrophobicContact CZ2-CD2 4.1Å; W86-L306 HydrophobicContact CZ2-CG 4.45Å; W86-L306 HydrophobicContact CZ3-CB 4.47Å; W86-L306 HydrophobicContact CZ3-CD1 3.82Å; W86-L306 HydrophobicContact CZ3-CD2 4.2Å; W86-L306 HydrophobicContact CZ3-CG 4.39Å; W86-L306 PolarHBondContact NE1-O 3.28Å; F260-L306 HydrophobicContact CE2-CD1 4.36Å; F260-L306 HydrophobicContact CZ-CD1 4.02Å; L264-L306 HydrophobicContact CD1-CD2 4.39Å; V302-L306 HydrophobicContact CG1-CD1 3.57Å; V302-L306 HydrophobicContact CG1-CG 4.02Å; V302-L306 WeakPolarHBondContact O-CB 3.34Å; V302-L306 WeakPolarHBondContact O-CG 3.22Å; V302-L306 PolarHBondContact O-N 3.27Å; S303-L306 PolarHBondContact O-N 2.96Å; L306-W309 HydrophobicContact CD2-CE3 4.47Å; L306-G310 WeakPolarHBondContact O-CA 3.15Å; L306-G310 PolarHBondContact O-N 3.5Å; L306-F314 HydrophobicContact CD2-CB 4.4Å; L306-F314 HydrophobicContact CD2-CD2 3.58Å; L306-F314 HydrophobicContact CD2-CE2 4.21Å; L306-F314 HydrophobicContact CD2-CG 4.24Å
307H97.3Very high97.8Very high93 Ų9340.9 Ų40.943%0.43122%0.224SC..Hα-helixtrans-72.1-38173.8-7381.3000111.9E82 W86 S303 L305 G310E82-H307 PolarHBondContact O-CE1 3.22Å; E82-H307 VanDerWaalsContact O-CE1 3.32Å; W86-H307 AromaticContact CD1-CD2 3.89Å; W86-H307 AromaticContact CD1-CE1 3.79Å; W86-H307 AromaticContact CD1-CG 3.94Å; W86-H307 AromaticContact CD1-ND1 3.86Å; W86-H307 AromaticContact CD1-NE2 3.8Å; W86-H307 AromaticContact CG-CE1 3.98Å; S303-H307 WeakPolarHBondContact O-CB 3.28Å; S303-H307 PolarHBondContact O-N 2.94Å; S303-H307 PolarHBondContact O-ND1 2.78Å; S303-H307 PolarHBondContact OG-CE1 3.11Å; S303-H307 PolarHBondContact OG-ND1 2.75Å; L305-H307 PolarHBondContact O-N 2.82Å; H307-G310 PolarHBondContact O-N 3.48Å
308G96Very high97.7Very high67 Ų6738.2 Ų38.269%0.69121%0.212SC*.Hα-helixtrans-64.7-40.7175.300000112.6Q304 L305Q304-G308 PolarHBondContact O-N 3.5Å; L305-G308 PolarHBondContact O-N 2.67Å
309W97.1Very high97.7Very high62 Ų6240.2 Ų40.224%0.23522%0.222CC..Hα-helixtrans-72.3-30.1173.8-76.2-9.7000113.8V55 L264 L305 L306 G313 F314 H317V55-W309 HydrophobicContact CG1-CZ2 4.35Å; L264-W309 HydrophobicContact CD2-CH2 4.15Å; L264-W309 HydrophobicContact CD2-CZ3 3.84Å; L305-W309 HydrophobicContact CD1-CD2 4.04Å; L305-W309 HydrophobicContact CD1-CE3 4.49Å; L305-W309 HydrophobicContact CD1-CH2 4.18Å; L305-W309 HydrophobicContact CD1-CZ2 3.68Å; L305-W309 HydrophobicContact CD2-CH2 3.97Å; L305-W309 HydrophobicContact CD2-CZ2 4.31Å; L305-W309 HydrophobicContact CD2-CZ3 4.08Å; L305-W309 HydrophobicContact CG-CD2 4.12Å; L305-W309 HydrophobicContact CG-CE3 4.13Å; L305-W309 HydrophobicContact CG-CH2 4.2Å; L305-W309 HydrophobicContact CG-CZ2 4.18Å; L305-W309 HydrophobicContact CG-CZ3 4.18Å; L305-W309 WeakPolarHBondContact O-CB 3.48Å; L305-W309 PolarHBondContact O-N 2.59Å; L306-W309 HydrophobicContact CD2-CE3 4.47Å; W309-G313 VanDerWaalsContact O-CA 3.29Å; W309-G313 WeakPolarHBondContact O-CA 3.42Å; W309-G313 PolarHBondContact O-N 3.31Å; W309-G313 VanDerWaalsContact O-N 3.09Å; W309-F314 HydrophobicContact CE3-CB 4.41Å; W309-H317 HydrophobicContact CE3-CB 4.26Å; W309-H317 HydrophobicContact CH2-CB 3.73Å; W309-H317 AromaticContact CH2-CD2 3.82Å; W309-H317 AromaticContact CH2-CG 3.37Å; W309-H317 AromaticContact CH2-ND1 3.53Å; W309-H317 HydrophobicContact CZ2-CB 4.35Å; W309-H317 HydrophobicContact CZ3-CB 3.67Å; W309-H317 AromaticContact CZ3-CD2 3.8Å; W309-H317 AromaticContact CZ3-CG 3.59Å
310G97.1Very high97.7Very high25 Ų2542.5 Ų42.526%0.25825%0.246SC..Hα-helixtrans62-175.7-162.900000112.2L306 H307 F314L306-G310 WeakPolarHBondContact O-CA 3.15Å; L306-G310 PolarHBondContact O-N 3.5Å; H307-G310 PolarHBondContact O-N 3.48Å; G310-F314 WeakPolarHBondContact O-CB 3.19Å; G310-F314 PolarHBondContact O-N 3.44Å; G310-F314 VanDerWaalsContact O-N 3.15Å
311Q96.6Very high97.7Very high62 Ų6243.5 Ų43.529%0.2925%0.252SS..Hα-helixtrans-66.5-40.2179.3-70-177.4-13.600112W86 F314 L315W86-Q311 HydrophobicContact CZ2-CG 4.37Å; Q311-F314 PolarHBondContact O-N 3.24Å; Q311-L315 WeakPolarHBondContact O-CG 3.35Å; Q311-L315 PolarHBondContact O-N 3.32Å
312E97Very high97.7Very high148 Ų14842.2 Ų42.269%0.69225%0.246SC*.Hα-helixtrans-64.7-48.5179.5-172.6-177.1168.300111.8F314 L315 N316E312-F314 VanDerWaalsContact C-N 3.29Å; E312-F314 PolarHBondContact O-N 3.43Å; E312-L315 PolarHBondContact O-N 3.47Å; E312-L315 VanDerWaalsContact O-N 3.14Å; E312-N316 VanDerWaalsContact O-CG 3.27Å; E312-N316 PolarHBondContact O-N 2.96Å; E312-N316 PolarHBondContact O-ND2 2.81Å
313G97.3Very high97.7Very high19 Ų1946.4 Ų46.420%0.19627%0.265CS..Hα-helixtrans-62.1-36.6177.300000112.7W309 N316 H317W309-G313 VanDerWaalsContact O-CA 3.29Å; W309-G313 WeakPolarHBondContact O-CA 3.42Å; W309-G313 PolarHBondContact O-N 3.31Å; W309-G313 VanDerWaalsContact O-N 3.09Å; G313-N316 PolarHBondContact O-N 3.49Å; G313-H317 PolarHBondContact O-N 2.84Å
314F98Very high97.7Very high0 Ų051 Ų510%029%0.285CS..Hα-helixtrans-61.4-46.3172.7169.4-104.7000112W86 L90 F234 F260 I263 L306 W309 G310 Q311 E312 H317 V318W86-F314 HydrophobicContact CH2-CB 3.98Å; W86-F314 AromaticContact CH2-CD1 3.88Å; W86-F314 HydrophobicContact CH2-CD1 3.88Å; W86-F314 HydrophobicContact CH2-CD2 4.24Å; W86-F314 HydrophobicContact CH2-CE1 4.45Å; W86-F314 AromaticContact CH2-CG 3.75Å; W86-F314 HydrophobicContact CH2-CG 3.75Å; W86-F314 HydrophobicContact CZ2-CB 4.04Å; W86-F314 HydrophobicContact CZ2-CG 4.33Å; L90-F314 HydrophobicContact CD1-CD1 4.07Å; L90-F314 HydrophobicContact CD1-CE1 4.07Å; L90-F314 HydrophobicContact CD2-CD1 4.32Å; L90-F314 HydrophobicContact CD2-CE1 3.73Å; L90-F314 HydrophobicContact CD2-CZ 4.21Å; F234-F314 HydrophobicContact CD1-CE1 4.4Å; F234-F314 HydrophobicContact CD1-CZ 4.38Å; F234-F314 HydrophobicContact CD2-CZ 4.41Å; F234-F314 AromaticContact CE1-CE1 3.81Å; F234-F314 HydrophobicContact CE1-CE1 3.81Å; F234-F314 HydrophobicContact CE1-CZ 4.04Å; F234-F314 HydrophobicContact CE2-CZ 4.08Å; F234-F314 AromaticContact CZ-CE1 3.91Å; F234-F314 HydrophobicContact CZ-CE1 3.91Å; F234-F314 AromaticContact CZ-CZ 3.89Å; F234-F314 HydrophobicContact CZ-CZ 3.89Å; F260-F314 HydrophobicContact CE1-CE2 4.14Å; F260-F314 HydrophobicContact CE1-CZ 4.3Å; I263-F314 HydrophobicContact CD1-CE2 3.65Å; I263-F314 HydrophobicContact CD1-CZ 3.7Å; L306-F314 HydrophobicContact CD2-CB 4.4Å; L306-F314 HydrophobicContact CD2-CD2 3.58Å; L306-F314 HydrophobicContact CD2-CE2 4.21Å; L306-F314 HydrophobicContact CD2-CG 4.24Å; W309-F314 HydrophobicContact CE3-CB 4.41Å; G310-F314 WeakPolarHBondContact O-CB 3.19Å; G310-F314 PolarHBondContact O-N 3.44Å; G310-F314 VanDerWaalsContact O-N 3.15Å; Q311-F314 PolarHBondContact O-N 3.24Å; E312-F314 VanDerWaalsContact C-N 3.29Å; E312-F314 PolarHBondContact O-N 3.43Å; F314-H317 WeakPolarHBondContact O-CB 3.33Å; F314-H317 PolarHBondContact O-N 3.33Å; F314-V318 HydrophobicContact CD2-CG2 4.46Å; F314-V318 HydrophobicContact CE1-CG2 4.07Å; F314-V318 HydrophobicContact CE2-CG2 4Å; F314-V318 HydrophobicContact CZ-CG2 3.78Å; F314-V318 WeakPolarHBondContact O-CG2 3.42Å; F314-V318 PolarHBondContact O-N 3.06Å
315L97.8Very high97.8Very high28 Ų2849.4 Ų49.415%0.14728%0.276CS..Hα-helixtrans-67.7-35.6178.4-67.5175000112.3Y93 L94 W241 Q311 E312 H317 V318 D319Y93-L315 HydrophobicContact CE1-CD1 3.83Å; L94-L315 HydrophobicContact CD2-CD2 4.36Å; W241-L315 HydrophobicContact CH2-CD2 4.14Å; W241-L315 HydrophobicContact CZ3-CD2 4.31Å; Q311-L315 WeakPolarHBondContact O-CG 3.35Å; Q311-L315 PolarHBondContact O-N 3.32Å; E312-L315 PolarHBondContact O-N 3.47Å; E312-L315 VanDerWaalsContact O-N 3.14Å; L315-H317 VanDerWaalsContact C-N 3.35Å; L315-V318 PolarHBondContact O-N 3.13Å; L315-D319 PolarHBondContact O-N 3.44Å
316N97.6Very high97.8Very high94 Ų9451 Ų5150%0.50328%0.28SS..Hα-helixtrans-63.1-40.9173.1-70.7-19.3000111.7E312 G313 D319 G320E312-N316 VanDerWaalsContact O-CG 3.27Å; E312-N316 PolarHBondContact O-N 2.96Å; E312-N316 PolarHBondContact O-ND2 2.81Å; G313-N316 PolarHBondContact O-N 3.49Å; N316-D319 PolarHBondContact O-N 3.18Å; N316-G320 PolarHBondContact O-N 2.94Å; N316-G320 VanDerWaalsContact O-N 3.14Å
317H98.1Very high97.8Very high59 Ų5954.5 Ų54.527%0.27330%0.302SS..Hα-helixtrans-62.3-46.2172.3173.276.5000111.5I263 W309 G313 F314 L315 D319 G320 V321I263-H317 PolarHBondContact O-NE2 3.31Å; W309-H317 HydrophobicContact CE3-CB 4.26Å; W309-H317 HydrophobicContact CH2-CB 3.73Å; W309-H317 AromaticContact CH2-CD2 3.82Å; W309-H317 AromaticContact CH2-CG 3.37Å; W309-H317 AromaticContact CH2-ND1 3.53Å; W309-H317 HydrophobicContact CZ2-CB 4.35Å; W309-H317 HydrophobicContact CZ3-CB 3.67Å; W309-H317 AromaticContact CZ3-CD2 3.8Å; W309-H317 AromaticContact CZ3-CG 3.59Å; G313-H317 PolarHBondContact O-N 2.84Å; F314-H317 WeakPolarHBondContact O-CB 3.33Å; F314-H317 PolarHBondContact O-N 3.33Å; L315-H317 VanDerWaalsContact C-N 3.35Å; H317-D319 VanDerWaalsContact C-N 3.29Å; H317-D319 PolarHBondContact O-N 3.19Å; H317-G320 PolarHBondContact O-N 3.31Å; H317-V321 WeakPolarHBondContact O-CG2 3.21Å; H317-V321 PolarHBondContact O-N 3.45Å
318V98.3Very high97.9Very high0 Ų050.8 Ų50.80%029%0.285CS..Hα-helixtrans-57.5-42.3175.8167.30000111.4F234 W241 I263 F314 L315 G320 V321 I322F234-V318 HydrophobicContact CB-CG1 3.85Å; F234-V318 HydrophobicContact CB-CG2 4.21Å; F234-V318 HydrophobicContact CD1-CG1 4.09Å; F234-V318 HydrophobicContact CD1-CG2 4.14Å; F234-V318 HydrophobicContact CG-CG1 4.39Å; F234-V318 HydrophobicContact CG-CG2 4.26Å; W241-V318 HydrophobicContact CH2-CG1 3.78Å; W241-V318 HydrophobicContact CZ2-CG1 3.89Å; I263-V318 HydrophobicContact CD1-CG2 3.85Å; F314-V318 HydrophobicContact CD2-CG2 4.46Å; F314-V318 HydrophobicContact CE1-CG2 4.07Å; F314-V318 HydrophobicContact CE2-CG2 4Å; F314-V318 HydrophobicContact CZ-CG2 3.78Å; F314-V318 WeakPolarHBondContact O-CG2 3.42Å; F314-V318 PolarHBondContact O-N 3.06Å; L315-V318 PolarHBondContact O-N 3.13Å; V318-G320 VanDerWaalsContact C-N 3.35Å; V318-G320 PolarHBondContact O-N 3.26Å; V318-V321 PolarHBondContact O-N 3.45Å; V318-V321 VanDerWaalsContact O-N 3.13Å; V318-I322 HydrophobicContact CG1-CD1 3.68Å; V318-I322 HydrophobicContact CG1-CG1 4.25Å; V318-I322 WeakPolarHBondContact O-CG1 3.3Å; V318-I322 PolarHBondContact O-N 2.76Å
319D98.3Very high98Very high55 Ų5548.8 Ų48.829%0.29426%0.256SS..Hα-helixtrans-62.7-40.3178-75.4-8.5000112.5K239 L315 N316 H317 V321 I322 E323K239-D319 WeakPolarHBondContact CE-OD1 3.49Å; K239-D319 IonicContact NZ-OD1 3.6Å; K239-D319 PolarHBondContact NZ-OD1 3.08Å; K239-D319 IonicContact NZ-OD2 2.82Å; K239-D319 PolarHBondContact NZ-OD2 3.31Å; L315-D319 PolarHBondContact O-N 3.44Å; N316-D319 PolarHBondContact O-N 3.18Å; H317-D319 VanDerWaalsContact C-N 3.29Å; H317-D319 PolarHBondContact O-N 3.19Å; D319-V321 VanDerWaalsContact C-N 3.33Å; D319-V321 PolarHBondContact O-N 3.34Å; D319-I322 PolarHBondContact O-N 3.47Å; D319-E323 PolarHBondContact O-N 3.1Å
320G98.1Very high98.1Very high48 Ų4848.9 Ų48.950%0.49526%0.261SS..Hα-helixtrans-62.5-38.7172.800000112.9N316 H317 V318 F324N316-G320 PolarHBondContact O-N 2.94Å; N316-G320 VanDerWaalsContact O-N 3.14Å; H317-G320 PolarHBondContact O-N 3.31Å; V318-G320 VanDerWaalsContact C-N 3.35Å; V318-G320 PolarHBondContact O-N 3.26Å; G320-F324 PolarHBondContact O-N 3.38Å
321V98.4Very high98.1Very high23 Ų2348.8 Ų48.814%0.13926%0.258CS..Hα-helixtrans-68.1-42.6175.2178.50000111.1L235 I263 H317 V318 D319 E323 F324 Y325L235-V321 HydrophobicContact CD2-CG1 3.63Å; I263-V321 HydrophobicContact CG2-CG1 4.21Å; H317-V321 WeakPolarHBondContact O-CG2 3.21Å; H317-V321 PolarHBondContact O-N 3.45Å; V318-V321 PolarHBondContact O-N 3.45Å; V318-V321 VanDerWaalsContact O-N 3.13Å; D319-V321 VanDerWaalsContact C-N 3.33Å; D319-V321 PolarHBondContact O-N 3.34Å; V321-E323 VanDerWaalsContact C-N 3.34Å; V321-E323 PolarHBondContact O-N 3.25Å; V321-F324 WeakPolarHBondContact O-CB 3.49Å; V321-F324 PolarHBondContact O-N 3.03Å; V321-Y325 HydrophobicContact CG1-CD2 3.72Å; V321-Y325 HydrophobicContact CG1-CE2 3.73Å; V321-Y325 WeakPolarHBondContact O-CD2 3.28Å; V321-Y325 PolarHBondContact O-N 3.17Å
322I98.6Very high98.3Very high4 Ų446.2 Ų46.22%0.02125%0.246CC..Hα-helixtrans-60.1-44.8176.4-71.4167.1000110.5F234 Q236 F237 W241 V318 D319 F324 Y325 R326F234-I322 VanDerWaalsContact O-CG1 3.27Å; F234-I322 WeakPolarHBondContact O-CG1 3.29Å; Q236-I322 WeakPolarHBondContact O-CD1 3.41Å; F237-I322 HydrophobicContact CD1-CG2 4.38Å; W241-I322 HydrophobicContact CZ2-CD1 3.55Å; V318-I322 HydrophobicContact CG1-CD1 3.68Å; V318-I322 HydrophobicContact CG1-CG1 4.25Å; V318-I322 WeakPolarHBondContact O-CG1 3.3Å; V318-I322 PolarHBondContact O-N 2.76Å; D319-I322 PolarHBondContact O-N 3.47Å; I322-F324 VanDerWaalsContact C-N 3.34Å; I322-F324 PolarHBondContact O-N 2.75Å; I322-Y325 PolarHBondContact O-N 3.4Å; I322-R326 VanDerWaalsContact O-CB 3.28Å; I322-R326 WeakPolarHBondContact O-CB 3.26Å; I322-R326 PolarHBondContact O-N 3.45Å
323E98.4Very high98.3Very high93 Ų9340.5 Ų40.544%0.43522%0.22SC..Hα-helixtrans-60-44178.3-176.954.9-124.300111.9D319 V321 Y325 R326 T327D319-E323 PolarHBondContact O-N 3.1Å; V321-E323 VanDerWaalsContact C-N 3.34Å; V321-E323 PolarHBondContact O-N 3.25Å; E323-Y325 PolarHBondContact O-N 3.21Å; E323-R326 PolarHBondContact O-N 3.37Å; E323-R326 IonicContact OE2-CZ 3.79Å; E323-R326 IonicContact OE2-NH1 3.86Å; E323-R326 PolarHBondContact OE2-NH1 2.95Å; E323-T327 PolarHBondContact O-N 3.38Å; E323-T327 PolarHBondContact O-OG1 2.87Å; E323-T327 PolarHBondContact OE1-OG1 3.35Å
324F98.3Very high98.4Very high101 Ų10144.4 Ų44.444%0.44324%0.24SC..Hα-helixtrans-56.8-52.6173.8171.6-95.7000111.8G320 V321 I322 R326 T327 Q328G320-F324 PolarHBondContact O-N 3.38Å; V321-F324 WeakPolarHBondContact O-CB 3.49Å; V321-F324 PolarHBondContact O-N 3.03Å; I322-F324 VanDerWaalsContact C-N 3.34Å; I322-F324 PolarHBondContact O-N 2.75Å; F324-R326 VanDerWaalsContact C-N 3.31Å; F324-R326 PolarHBondContact O-N 3.02Å; F324-T327 PolarHBondContact O-N 3.15Å; F324-Q328 HydrophobicContact CD1-CG 4.38Å; F324-Q328 HydrophobicContact CE1-CG 3.95Å; F324-Q328 HydrophobicContact CE2-CG 4.09Å; F324-Q328 HydrophobicContact CZ-CG 3.79Å; F324-Q328 VanDerWaalsContact O-CG 3.29Å; F324-Q328 WeakPolarHBondContact O-CG 3.3Å; F324-Q328 PolarHBondContact O-N 3.08Å
325Y98.8Very high98.4Very high28 Ų2844.6 Ų44.611%0.1124%0.242CC..Hα-helixtrans-68.7-29-179-80.5-79.1000113L235 V321 I322 E323 Q328 R329 M353 F401L235-Y325 HydrophobicContact CD1-CD2 4.4Å; L235-Y325 HydrophobicContact CD1-CE2 4.26Å; L235-Y325 HydrophobicContact CD2-CD2 3.57Å; L235-Y325 HydrophobicContact CD2-CE2 3.92Å; L235-Y325 HydrophobicContact CD2-CG 4.31Å; V321-Y325 HydrophobicContact CG1-CD2 3.72Å; V321-Y325 HydrophobicContact CG1-CE2 3.73Å; V321-Y325 WeakPolarHBondContact O-CD2 3.28Å; V321-Y325 PolarHBondContact O-N 3.17Å; I322-Y325 PolarHBondContact O-N 3.4Å; E323-Y325 PolarHBondContact O-N 3.21Å; Y325-Q328 PolarHBondContact O-N 3.33Å; Y325-R329 VanDerWaalsContact O-CB 3.31Å; Y325-R329 WeakPolarHBondContact O-CB 3.18Å; Y325-R329 PolarHBondContact O-N 3.42Å; Y325-M353 HydrophobicContact CD1-CB 3.91Å; Y325-M353 HydrophobicContact CE1-CB 3.61Å; Y325-M353 HydrophobicContact CE1-CE 3.73Å; Y325-M353 HydrophobicContact CE1-SD 4.43Å; Y325-M353 HydrophobicContact CE2-CE 4.39Å; Y325-M353 VanDerWaalsContact OH-CE 3.28Å; Y325-M353 WeakPolarHBondContact OH-CE 3.3Å; Y325-F401 HydrophobicContact CD1-CD2 4.23Å; Y325-F401 HydrophobicContact CD1-CE2 4.12Å
326R98.5Very high98.5Very high62 Ų6243.2 Ų43.223%0.23424%0.235CC..Hα-helixtrans-63.6-50.4173-172.7-172.3-67111.5-1.5110.3F237 I322 E323 F324 Q328 R329 D330F237-R326 HydrophobicContact CD1-CB 4Å; F237-R326 PolarHBondContact O-NE 2.9Å; F237-R326 PolarHBondContact O-NH2 3.11Å; I322-R326 VanDerWaalsContact O-CB 3.28Å; I322-R326 WeakPolarHBondContact O-CB 3.26Å; I322-R326 PolarHBondContact O-N 3.45Å; E323-R326 PolarHBondContact O-N 3.37Å; E323-R326 IonicContact OE2-CZ 3.79Å; E323-R326 IonicContact OE2-NH1 3.86Å; E323-R326 PolarHBondContact OE2-NH1 2.95Å; F324-R326 VanDerWaalsContact C-N 3.31Å; F324-R326 PolarHBondContact O-N 3.02Å; R326-Q328 VanDerWaalsContact C-N 3.3Å; R326-Q328 PolarHBondContact O-N 3.48Å; R326-R329 WeakPolarHBondContact O-CB 3.36Å; R326-R329 PolarHBondContact O-N 3.15Å; R326-D330 WeakPolarHBondContact O-CB 3.19Å; R326-D330 PolarHBondContact O-N 3.41Å
327T98.4Very high98.5Very high74 Ų7442.9 Ų42.945%0.45423%0.232SC..Hα-helixtrans-57.6-44.3176.3-65.80000111.3E323 F324 D330 A331E323-T327 PolarHBondContact O-N 3.38Å; E323-T327 PolarHBondContact O-OG1 2.87Å; E323-T327 PolarHBondContact OE1-OG1 3.35Å; F324-T327 PolarHBondContact O-N 3.15Å; T327-D330 PolarHBondContact O-N 3.19Å; T327-A331 PolarHBondContact O-N 3.04Å
328Q98.7Very high98.6Very high15 Ų1545.5 Ų45.57%0.0724%0.243CC..Hα-helixtrans-65.5-42177.9-71.1-72.4104.600113.1F324 Y325 R326 D330 A331 M332 F401 S404F324-Q328 HydrophobicContact CD1-CG 4.38Å; F324-Q328 HydrophobicContact CE1-CG 3.95Å; F324-Q328 HydrophobicContact CE2-CG 4.09Å; F324-Q328 HydrophobicContact CZ-CG 3.79Å; F324-Q328 VanDerWaalsContact O-CG 3.29Å; F324-Q328 WeakPolarHBondContact O-CG 3.3Å; F324-Q328 PolarHBondContact O-N 3.08Å; Y325-Q328 PolarHBondContact O-N 3.33Å; R326-Q328 VanDerWaalsContact C-N 3.3Å; R326-Q328 PolarHBondContact O-N 3.48Å; Q328-D330 VanDerWaalsContact C-N 3.33Å; Q328-A331 PolarHBondContact O-N 2.86Å; Q328-M332 WeakPolarHBondContact O-CB 3.32Å; Q328-M332 PolarHBondContact O-N 2.64Å; Q328-F401 HydrophobicContact CB-CB 4.28Å; Q328-F401 HydrophobicContact CB-CD2 3.89Å; Q328-F401 VanDerWaalsContact CB-O 3.31Å; Q328-F401 WeakPolarHBondContact CB-O 3.36Å; Q328-F401 PolarHBondContact NE2-O 3.44Å; Q328-S404 PolarHBondContact NE2-O 2.84Å
329R98.6Very high98.6Very high25 Ų2548.9 Ų48.99%0.09426%0.256CS..Hα-helixtrans-59.1-46.7173.2178.4-157.363.9-170.2-3.6110.3F237 Y325 R326 A331 M332 L333 P349 F401F237-R329 VanDerWaalsContact CB-NH1 3.31Å; F237-R329 HydrophobicContact CE2-CB 4.5Å; F237-R329 HydrophobicContact CE2-CG 4.35Å; F237-R329 VanDerWaalsContact CG-NH1 3.3Å; F237-R329 HydrophobicContact CZ-CB 4.27Å; Y325-R329 VanDerWaalsContact O-CB 3.31Å; Y325-R329 WeakPolarHBondContact O-CB 3.18Å; Y325-R329 PolarHBondContact O-N 3.42Å; R326-R329 WeakPolarHBondContact O-CB 3.36Å; R326-R329 PolarHBondContact O-N 3.15Å; R329-A331 VanDerWaalsContact C-N 3.34Å; R329-A331 PolarHBondContact O-N 2.73Å; R329-M332 WeakPolarHBondContact O-CB 3.43Å; R329-M332 PolarHBondContact O-N 2.92Å; R329-L333 HydrophobicContact CG-CD1 3.84Å; R329-L333 HydrophobicContact CG-CG 4.33Å; R329-L333 WeakPolarHBondContact O-CG 3.5Å; R329-L333 PolarHBondContact O-N 3.49Å; R329-P349 WeakPolarHBondContact CD-O 3.25Å; R329-F401 HydrophobicContact CB-CD2 4.22Å; R329-F401 HydrophobicContact CB-CE1 4.3Å; R329-F401 HydrophobicContact CB-CE2 3.74Å; R329-F401 HydrophobicContact CB-CZ 3.79Å; R329-F401 HydrophobicContact CG-CE1 4.36Å; R329-F401 HydrophobicContact CG-CZ 4.09Å
330D98.7Very high98.6Very high64 Ų6446.3 Ų46.334%0.34224%0.242SC..Hα-helixtrans-67.1-37.1-175.9-65-10.8000111.6R326 T327 Q328 L333 T334R326-D330 WeakPolarHBondContact O-CB 3.19Å; R326-D330 PolarHBondContact O-N 3.41Å; T327-D330 PolarHBondContact O-N 3.19Å; Q328-D330 VanDerWaalsContact C-N 3.33Å; D330-L333 PolarHBondContact O-N 3.38Å; D330-T334 WeakPolarHBondContact O-CB 3.27Å; D330-T334 PolarHBondContact O-N 2.93Å; D330-T334 PolarHBondContact O-OG1 3.25Å
331A98.7Very high98.6Very high23 Ų2348.8 Ų48.819%0.1924%0.239CC..Hα-helixtrans-61.7-45.8170.300000112.1T327 Q328 R329 T334 S335 P406T327-A331 PolarHBondContact O-N 3.04Å; Q328-A331 PolarHBondContact O-N 2.86Å; R329-A331 VanDerWaalsContact C-N 3.34Å; R329-A331 PolarHBondContact O-N 2.73Å; A331-T334 PolarHBondContact O-N 2.86Å; A331-S335 PolarHBondContact O-N 3.43Å; A331-P406 HydrophobicContact CB-CB 4.1Å; A331-P406 HydrophobicContact CB-CG 4.14Å
332M98.8Very high98.6Very high8 Ų853.4 Ų53.44%0.03926%0.263CS..Hα-helixtrans-59.8-45.4175.5-173.573.379.200112.1Q328 R329 S335 A336 L355 A399 A400 F401 I409 F413Q328-M332 WeakPolarHBondContact O-CB 3.32Å; Q328-M332 PolarHBondContact O-N 2.64Å; R329-M332 WeakPolarHBondContact O-CB 3.43Å; R329-M332 PolarHBondContact O-N 2.92Å; M332-S335 PolarHBondContact O-N 2.89Å; M332-A336 WeakPolarHBondContact O-CB 3.47Å; M332-A336 PolarHBondContact O-N 3.4Å; M332-L355 HydrophobicContact CG-CB 4.27Å; M332-L355 HydrophobicContact CG-CD2 3.81Å; M332-A399 HydrophobicContact CE-CB 4.31Å; M332-A399 HydrophobicContact SD-CB 4.45Å; M332-A400 VanDerWaalsContact CE-O 3.26Å; M332-A400 WeakPolarHBondContact CE-O 3.36Å; M332-F401 HydrophobicContact CB-CB 4.1Å; M332-F401 HydrophobicContact CB-CD1 4.45Å; M332-F401 HydrophobicContact CE-CB 3.57Å; M332-F401 HydrophobicContact CG-CB 4.4Å; M332-F401 HydrophobicContact CG-CD1 4.39Å; M332-I409 HydrophobicContact CB-CD1 4.43Å; M332-I409 HydrophobicContact CB-CG2 4.3Å; M332-I409 HydrophobicContact CE-CD1 3.96Å; M332-I409 HydrophobicContact CE-CG1 3.86Å; M332-I409 HydrophobicContact CE-CG2 4.37Å; M332-I409 HydrophobicContact SD-CD1 4.5Å; M332-I409 HydrophobicContact SD-CG1 4.29Å; M332-I409 HydrophobicContact SD-CG2 3.68Å; M332-F413 HydrophobicContact CG-CE2 3.89Å; M332-F413 HydrophobicContact CG-CZ 4.02Å; M332-F413 WeakPolarHBondContact O-CE2 3.38Å; M332-F413 HydrophobicContact SD-CD2 4.23Å; M332-F413 HydrophobicContact SD-CE1 3.99Å; M332-F413 HydrophobicContact SD-CE2 3.26Å; M332-F413 WeakPolarHBondContact SD-CE2 3.48Å; M332-F413 HydrophobicContact SD-CZ 3.13Å; M332-F413 WeakPolarHBondContact SD-CZ 3.34Å
333L98.8Very high98.5Very high27 Ų2753.6 Ų53.614%0.14126%0.264CS..Hα-helixtrans-67.8-40.8179.2-68.9171.1000112.4R329 D330 S335 A336 D337 T348 L355R329-L333 HydrophobicContact CG-CD1 3.84Å; R329-L333 HydrophobicContact CG-CG 4.33Å; R329-L333 WeakPolarHBondContact O-CG 3.5Å; R329-L333 PolarHBondContact O-N 3.49Å; D330-L333 PolarHBondContact O-N 3.38Å; L333-S335 VanDerWaalsContact C-N 3.3Å; L333-S335 PolarHBondContact O-N 3.43Å; L333-A336 PolarHBondContact O-N 2.91Å; L333-D337 PolarHBondContact O-N 3.26Å; L333-T348 HydrophobicContact CD1-CG2 3.81Å; L333-L355 HydrophobicContact CD2-CD1 3.83Å; L333-L355 HydrophobicContact CD2-CD2 4.42Å
334T98.8Very high98.5Very high101 Ų10149.3 Ų49.362%0.6225%0.245SC*.Hα-helixtrans-59.3-44.2175.6-60.90000110.9D330 A331 K338D330-T334 WeakPolarHBondContact O-CB 3.27Å; D330-T334 PolarHBondContact O-N 2.93Å; D330-T334 PolarHBondContact O-OG1 3.25Å; A331-T334 PolarHBondContact O-N 2.86Å; T334-K338 WeakPolarHBondContact O-CB 3.36Å; T334-K338 PolarHBondContact O-N 3.47Å; T334-K338 VanDerWaalsContact O-N 3.13Å
335S98.8Very high98.5Very high4 Ų449.3 Ų49.33%0.02825%0.246CC..Hα-helixtrans-70-38.6177-173.40000112.9A331 M332 L333 D337 K338 W339 D410A331-S335 PolarHBondContact O-N 3.43Å; M332-S335 PolarHBondContact O-N 2.89Å; L333-S335 VanDerWaalsContact C-N 3.3Å; L333-S335 PolarHBondContact O-N 3.43Å; S335-D337 VanDerWaalsContact C-N 3.34Å; S335-D337 PolarHBondContact O-N 3.46Å; S335-K338 PolarHBondContact O-N 3.08Å; S335-W339 PolarHBondContact O-N 3.29Å; S335-D410 VanDerWaalsContact OG-CA 3.27Å; S335-D410 WeakPolarHBondContact OG-CA 3.34Å; S335-D410 PolarHBondContact OG-OD1 3.33Å; S335-D410 VanDerWaalsContact OG-OD1 3.12Å
336A98.8Very high98.5Very high0 Ų050.6 Ų50.60%025%0.251CS..Hα-helixtrans-60.2-45.9175.700000110.6M332 L333 K338 W339 L340 K341 W346 L355 F413M332-A336 WeakPolarHBondContact O-CB 3.47Å; M332-A336 PolarHBondContact O-N 3.4Å; L333-A336 PolarHBondContact O-N 2.91Å; A336-K338 VanDerWaalsContact C-N 3.32Å; A336-K338 PolarHBondContact O-N 3.31Å; A336-W339 PolarHBondContact O-N 3.37Å; A336-L340 HydrophobicContact CB-CD1 4.41Å; A336-L340 WeakPolarHBondContact O-CA 3.5Å; A336-L340 VanDerWaalsContact O-CB 3.3Å; A336-L340 WeakPolarHBondContact O-CB 3.35Å; A336-L340 PolarHBondContact O-N 2.93Å; A336-K341 PolarHBondContact O-N 3.09Å; A336-W346 VanDerWaalsContact C-CZ2 3.44Å; A336-W346 HydrophobicContact CB-CD2 4.19Å; A336-W346 HydrophobicContact CB-CE3 4.48Å; A336-W346 HydrophobicContact CB-CH2 3.8Å; A336-W346 HydrophobicContact CB-CZ2 3.42Å; A336-W346 VanDerWaalsContact CB-CZ2 3.42Å; A336-W346 HydrophobicContact CB-CZ3 4.32Å; A336-W346 WeakPolarHBondContact O-CH2 3.39Å; A336-L355 HydrophobicContact CB-CD2 4.23Å; A336-F413 HydrophobicContact CB-CD2 4.03Å; A336-F413 HydrophobicContact CB-CE2 3.68Å
337D98.8Very high98.5Very high86 Ų8653 Ų5346%0.4627%0.265SS..Hα-helixtrans-60.2-43.4176.3-17375.5000111.9L333 S335 W339 K341L333-D337 PolarHBondContact O-N 3.26Å; S335-D337 VanDerWaalsContact C-N 3.34Å; S335-D337 PolarHBondContact O-N 3.46Å; D337-W339 PolarHBondContact O-N 3.28Å; D337-K341 WeakPolarHBondContact O-CD 3.5Å; D337-K341 VanDerWaalsContact O-CG 3.22Å; D337-K341 WeakPolarHBondContact O-CG 3.38Å; D337-K341 IonicContact OD2-NZ 3.21Å
338K98.7Very high98.5Very high114 Ų11453.9 Ų53.950%0.49627%0.27SS..Hα-helixtrans-62-43.7179.5-178.8-179170-162.90113.1T334 S335 A336 D410T334-K338 WeakPolarHBondContact O-CB 3.36Å; T334-K338 PolarHBondContact O-N 3.47Å; T334-K338 VanDerWaalsContact O-N 3.13Å; S335-K338 PolarHBondContact O-N 3.08Å; A336-K338 VanDerWaalsContact C-N 3.32Å; A336-K338 PolarHBondContact O-N 3.31Å; K338-D410 IonicContact NZ-OD1 2.87Å; K338-D410 PolarHBondContact NZ-OD1 3.45Å; K338-D410 IonicContact NZ-OD2 2.77Å; K338-D410 PolarHBondContact NZ-OD2 3.27Å
339W98.8Very high98.5Very high72 Ų7253.2 Ų53.227%0.27327%0.267SS..Hα-helixtrans-110.2-28.2-168.9-64.2113.4000115.3S335 A336 D337 D410 F413 K414 S417S335-W339 PolarHBondContact O-N 3.29Å; A336-W339 PolarHBondContact O-N 3.37Å; D337-W339 PolarHBondContact O-N 3.28Å; W339-D410 VanDerWaalsContact NE1-CG 3.35Å; W339-D410 PolarHBondContact NE1-OD1 3.21Å; W339-D410 PolarHBondContact NE1-OD2 3.29Å; W339-F413 HydrophobicContact CB-CB 4.21Å; W339-K414 HydrophobicContact CD2-CB 3.8Å; W339-K414 HydrophobicContact CD2-CG 4.14Å; W339-K414 HydrophobicContact CE3-CB 4.19Å; W339-K414 HydrophobicContact CE3-CG 4.06Å; W339-K414 HydrophobicContact CG-CB 4.2Å; W339-K414 HydrophobicContact CH2-CB 4.36Å; W339-K414 HydrophobicContact CH2-CD 3.83Å; W339-K414 HydrophobicContact CH2-CG 3.78Å; W339-K414 HydrophobicContact CZ2-CB 3.95Å; W339-K414 HydrophobicContact CZ2-CD 3.75Å; W339-K414 HydrophobicContact CZ2-CG 3.83Å; W339-K414 HydrophobicContact CZ3-CB 4.46Å; W339-K414 HydrophobicContact CZ3-CD 4.43Å; W339-K414 HydrophobicContact CZ3-CG 3.89Å; W339-S417 WeakPolarHBondContact O-CB 3.25Å; W339-S417 PolarHBondContact O-OG 3.28Å
340L98.6Very high98.4Very high0 Ų053.9 Ų53.90%028%0.278CS..Hα-helixtrans-111.4-14.9-165.9-57.9-178.6000114.5A336 D342 V343 A344 W346 I357 F413 L416 I420A336-L340 HydrophobicContact CB-CD1 4.41Å; A336-L340 WeakPolarHBondContact O-CA 3.5Å; A336-L340 VanDerWaalsContact O-CB 3.3Å; A336-L340 WeakPolarHBondContact O-CB 3.35Å; A336-L340 PolarHBondContact O-N 2.93Å; L340-D342 PolarHBondContact O-N 3.28Å; L340-V343 HydrophobicContact CB-CG2 4.5Å; L340-V343 HydrophobicContact CD2-CG2 4.2Å; L340-V343 CarbonylContact O-C 3.55Å; L340-V343 WeakPolarHBondContact O-CG2 3.35Å; L340-V343 PolarHBondContact O-N 3.5Å; L340-A344 HydrophobicContact CB-CB 4.24Å; L340-A344 PolarHBondContact O-N 3.3Å; L340-W346 HydrophobicContact CB-CH2 3.94Å; L340-W346 HydrophobicContact CB-CZ3 3.58Å; L340-I357 HydrophobicContact CD1-CD1 4.19Å; L340-F413 HydrophobicContact CD1-CB 4.24Å; L340-F413 HydrophobicContact CD1-CD1 3.77Å; L340-F413 HydrophobicContact CD1-CD2 3.91Å; L340-F413 HydrophobicContact CD1-CE1 3.95Å; L340-F413 HydrophobicContact CD1-CE2 4.1Å; L340-F413 HydrophobicContact CD1-CG 3.72Å; L340-F413 HydrophobicContact CD1-CZ 4.09Å; L340-F413 HydrophobicContact CG-CB 4.25Å; L340-F413 HydrophobicContact CG-CG 4.26Å; L340-L416 HydrophobicContact CD1-CD2 4.29Å; L340-L416 HydrophobicContact CD2-CB 4.46Å; L340-L416 HydrophobicContact CD2-CD2 4.3Å; L340-L416 HydrophobicContact CD2-CG 4.3Å; L340-I420 HydrophobicContact CD2-CD1 4.49Å
341K97.9Very high98.4Very high100 Ų10050.9 Ų50.944%0.43526%0.262SS..THydrogen-bonded Turntrans-55.1-32.7-171.565.9179.9168.3-164.80115.1A336 D337 W346 K360A336-K341 PolarHBondContact O-N 3.09Å; D337-K341 WeakPolarHBondContact O-CD 3.5Å; D337-K341 VanDerWaalsContact O-CG 3.22Å; D337-K341 WeakPolarHBondContact O-CG 3.38Å; D337-K341 IonicContact OD2-NZ 3.21Å; K341-W346 HydrophobicContact CB-CH2 4.13Å; K341-K360 PolarHBondContact O-NZ 3.27Å; K341-K360 VanDerWaalsContact O-NZ 3.14Å
342D97.3Very high98.3Very high120 Ų12049.8 Ų49.864%0.64225%0.253SS*.THydrogen-bonded Turntrans-82.3-21.4-179.7-59.1-41.4000112.6L340L340-D342 PolarHBondContact O-N 3.28Å
343V98.1Very high98.3Very high8 Ų849.8 Ų49.85%0.04825%0.253CS..THydrogen-bonded Turntrans-118.3-6.3-170.8-61.60000114.1L340 K360 I420 K421L340-V343 HydrophobicContact CB-CG2 4.5Å; L340-V343 HydrophobicContact CD2-CG2 4.2Å; L340-V343 CarbonylContact O-C 3.55Å; L340-V343 WeakPolarHBondContact O-CG2 3.35Å; L340-V343 PolarHBondContact O-N 3.5Å; V343-K360 WeakPolarHBondContact O-CB 3.22Å; V343-K360 PolarHBondContact O-N 3.2Å; V343-I420 HydrophobicContact CB-CB 4.43Å; V343-I420 HydrophobicContact CB-CG2 3.84Å; V343-I420 HydrophobicContact CG1-CG2 4.39Å; V343-I420 HydrophobicContact CG2-CB 4.47Å; V343-I420 HydrophobicContact CG2-CD1 4.08Å; V343-I420 HydrophobicContact CG2-CG2 4.37Å; V343-K421 HydrophobicContact CG1-CG 3.89Å
344A98.5Very high98.3Very high3 Ų349.2 Ų49.23%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-151.3169.1-178.700000112.3L340 W346 I357 K358L340-A344 HydrophobicContact CB-CB 4.24Å; L340-A344 PolarHBondContact O-N 3.3Å; A344-W346 HydrophobicContact CB-CE3 4.35Å; A344-W346 HydrophobicContact CB-CZ3 4.22Å; A344-I357 HydrophobicContact CB-CG2 3.54Å; A344-K358 CarbonylContact C-O 3.47Å; A344-K358 WeakPolarHBondContact CA-O 3.36Å; A344-K358 VanDerWaalsContact CB-O 3.26Å; A344-K358 WeakPolarHBondContact CB-O 3.33Å
345E98.4Very high98.3Very high101 Ų10144.4 Ų44.447%0.47222%0.22SC..EExtended strand (participates in β ladder)trans-133.7145.7176.5-56.5175.3166.400109.3I357 K358 K360E345-I357 CarbonylContact O-C 3.54Å; E345-K358 HydrophobicContact CB-CB 4.37Å; E345-K358 PolarHBondContact N-O 2.81Å; E345-K358 PolarHBondContact O-N 2.96Å; E345-K360 HydrophobicContact CG-CG 4.47Å; E345-K360 WeakPolarHBondContact OE1-CE 3.4Å
346W98.8Very high98.3Very high55 Ų5545.3 Ų45.321%0.20822%0.223CC..EExtended strand (participates in β ladder)trans-153.6165.9177.457.688.8000110.5A336 L340 K341 A344 L355 W356 I357A336-W346 VanDerWaalsContact C-CZ2 3.44Å; A336-W346 HydrophobicContact CB-CD2 4.19Å; A336-W346 HydrophobicContact CB-CE3 4.48Å; A336-W346 HydrophobicContact CB-CH2 3.8Å; A336-W346 HydrophobicContact CB-CZ2 3.42Å; A336-W346 VanDerWaalsContact CB-CZ2 3.42Å; A336-W346 HydrophobicContact CB-CZ3 4.32Å; A336-W346 WeakPolarHBondContact O-CH2 3.39Å; L340-W346 HydrophobicContact CB-CH2 3.94Å; L340-W346 HydrophobicContact CB-CZ3 3.58Å; K341-W346 HydrophobicContact CB-CH2 4.13Å; A344-W346 HydrophobicContact CB-CE3 4.35Å; A344-W346 HydrophobicContact CB-CZ3 4.22Å; W346-L355 HydrophobicContact CB-CD1 4.08Å; W346-L355 HydrophobicContact CB-CG 4.44Å; W346-L355 HydrophobicContact CG-CD1 4.15Å; W346-L355 HydrophobicContact CG-CD2 4.47Å; W346-W356 WeakPolarHBondContact CB-O 3.31Å; W346-I357 HydrophobicContact CB-CG1 4.38Å; W346-I357 HydrophobicContact CE3-CG2 4.36Å
347H98.3Very high98.3Very high112 Ų11245.4 Ų45.452%0.51922%0.223SC..  trans-111.5148.1168.8-64.1-70.2000110Q162 P349 L355Q162-H347 HydrophobicContact CB-CB 4Å; H347-P349 VanDerWaalsContact O-CD 3.31Å; H347-P349 WeakPolarHBondContact O-CD 3.29Å; H347-L355 WeakPolarHBondContact O-CD1 3.12Å
348T98.3Very high98.3Very high93 Ų9345 Ų4557%0.57122%0.217SC*.  trans-64.4121.9174.1-64.10000110L333 A350L333-T348 HydrophobicContact CD1-CG2 3.81Å; T348-A350 PolarHBondContact O-N 3.05Å
349P98.2Very high98.3Very high1 Ų139.8 Ų39.81%0.00620%0.195CC..  trans-64.7127.9175.9-22.635.2000111G204 F237 R329 H347 F354 L355 F401G204-P349 WeakPolarHBondContact O-CA 3.26Å; F237-P349 WeakPolarHBondContact CD2-O 3.29Å; F237-P349 HydrophobicContact CE2-CB 4.4Å; F237-P349 WeakPolarHBondContact CE2-O 3.34Å; R329-P349 WeakPolarHBondContact CD-O 3.25Å; H347-P349 VanDerWaalsContact O-CD 3.31Å; H347-P349 WeakPolarHBondContact O-CD 3.29Å; P349-F354 WeakPolarHBondContact CG-O 3.36Å; P349-L355 HydrophobicContact CG-CD1 3.85Å; P349-F401 HydrophobicContact CG-CE1 4.2Å
350A96Very high98.2Very high40 Ų4040 Ų4033%0.33120%0.198SC..SBendtrans-83.6-20.7177.600000112.4G204 F237 T348G204-A350 PolarHBondContact O-N 2.91Å; G204-A350 VanDerWaalsContact O-N 3.14Å; F237-A350 VanDerWaalsContact CD2-O 3.23Å; F237-A350 WeakPolarHBondContact CD2-O 3.43Å; F237-A350 PolarHBondContact N-O 3.48Å; F237-A350 VanDerWaalsContact N-O 3.17Å; T348-A350 PolarHBondContact O-N 3.05Å
351A98.4Very high98.1Very high0 Ų043.6 Ų43.60%024%0.235CC..BIsolated β-bridgetrans-156.4174.8175.500000111.1N198 G199 L235 Q236N198-A351 HydrophobicContact CB-CB 4.32Å; G199-A351 WeakPolarHBondContact CA-O 3.47Å; L235-A351 CarbonylContact O-C 3.56Å; L235-A351 WeakPolarHBondContact O-CA 3.44Å; L235-A351 VanDerWaalsContact O-CB 3.23Å; L235-A351 WeakPolarHBondContact O-CB 3.12Å; Q236-A351 HydrophobicContact CB-CB 4.34Å; Q236-A351 HydrophobicContact CG-CB 3.89Å
352G98.2Very high98Very high0 Ų039.9 Ų39.90%022%0.221CC..SBendtrans84.1-144.117000000113.2L235 F237L235-G352 PolarHBondContact O-N 3.2Å; F237-G352 WeakPolarHBondContact CZ-O 3.38Å
353M98.6Very high97.9Very high8 Ų837.8 Ų37.84%0.03922%0.22CC..SBendtrans-14719.7-167.959.3-176.962.400114.6Y232 L235 K262 Y325 A400 F401Y232-M353 HydrophobicContact CE1-CE 4.17Å; Y232-M353 HydrophobicContact CE1-CG 4.05Å; Y232-M353 HydrophobicContact CE1-SD 4.29Å; L235-M353 HydrophobicContact CD1-CE 3.51Å; K262-M353 HydrophobicContact CB-CE 4.04Å; K262-M353 HydrophobicContact CD-CE 3.75Å; K262-M353 HydrophobicContact CD-SD 4.32Å; K262-M353 HydrophobicContact CG-CE 4.09Å; Y325-M353 HydrophobicContact CD1-CB 3.91Å; Y325-M353 HydrophobicContact CE1-CB 3.61Å; Y325-M353 HydrophobicContact CE1-CE 3.73Å; Y325-M353 HydrophobicContact CE1-SD 4.43Å; Y325-M353 HydrophobicContact CE2-CE 4.39Å; Y325-M353 VanDerWaalsContact OH-CE 3.28Å; Y325-M353 WeakPolarHBondContact OH-CE 3.3Å; M353-A400 WeakPolarHBondContact O-CA 3.21Å; M353-F401 VanDerWaalsContact C-CZ 3.48Å; M353-F401 VanDerWaalsContact CA-CE2 3.49Å; M353-F401 HydrophobicContact CB-CE2 4.34Å; M353-F401 PolarHBondContact O-N 3.14Å; M353-F401 VanDerWaalsContact O-N 3.12Å
354F98.8Very high97.9Very high15 Ų1540.5 Ų40.57%0.06624%0.235CC..EExtended strand (participates in β ladder)trans-130.2141.7-176-55-55.9000112.1N201 Y232 P349 R398 A399 A400 F401N201-F354 HydrophobicContact CB-CD2 4.11Å; N201-F354 HydrophobicContact CB-CE2 3.91Å; N201-F354 VanDerWaalsContact CG-CE2 3.41Å; Y232-F354 VanDerWaalsContact OH-CE2 3.29Å; Y232-F354 WeakPolarHBondContact OH-CE2 3.42Å; P349-F354 WeakPolarHBondContact CG-O 3.36Å; F354-R398 HydrophobicContact CB-CG 3.86Å; F354-R398 HydrophobicContact CD1-CG 4.08Å; F354-R398 HydrophobicContact CG-CG 4.02Å; F354-A399 CarbonylContact C-O 3.49Å; F354-A399 VanDerWaalsContact CA-O 3.3Å; F354-A399 WeakPolarHBondContact CA-O 3.4Å; F354-A400 HydrophobicContact CD1-CB 3.76Å; F354-A400 HydrophobicContact CE1-CB 3.82Å; F354-F401 VanDerWaalsContact C-CE1 3.49Å; F354-F401 VanDerWaalsContact N-CE1 3.29Å
355L98.8Very high97.8Very high1 Ų140.4 Ų40.41%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-108.1131.2165.6-175.667000108.4M332 L333 A336 W346 H347 P349 I357 A399 F413M332-L355 HydrophobicContact CG-CB 4.27Å; M332-L355 HydrophobicContact CG-CD2 3.81Å; L333-L355 HydrophobicContact CD2-CD1 3.83Å; L333-L355 HydrophobicContact CD2-CD2 4.42Å; A336-L355 HydrophobicContact CB-CD2 4.23Å; W346-L355 HydrophobicContact CB-CD1 4.08Å; W346-L355 HydrophobicContact CB-CG 4.44Å; W346-L355 HydrophobicContact CG-CD1 4.15Å; W346-L355 HydrophobicContact CG-CD2 4.47Å; H347-L355 WeakPolarHBondContact O-CD1 3.12Å; P349-L355 HydrophobicContact CG-CD1 3.85Å; L355-I357 HydrophobicContact CD2-CD1 3.96Å; L355-I357 HydrophobicContact CD2-CG1 3.97Å; L355-I357 HydrophobicContact CG-CD1 4.26Å; L355-I357 HydrophobicContact CG-CG1 3.85Å; L355-A399 HydrophobicContact CB-CB 4.46Å; L355-A399 PolarHBondContact N-O 3.38Å; L355-A399 PolarHBondContact O-N 3.38Å; L355-F413 HydrophobicContact CD2-CE2 4.33Å; L355-F413 HydrophobicContact CD2-CZ 4.14Å
356W98.8Very high97.7Very high23 Ų2339.6 Ų39.69%0.08723%0.23CC..EExtended strand (participates in β ladder)trans-107.7118.3-179.7-173.2-124.3000110.3P139 P202 W346 F386 Y396 V397 R398P139-W356 HydrophobicContact CB-CZ2 4.21Å; P139-W356 HydrophobicContact CG-CZ2 3.97Å; P202-W356 HydrophobicContact CB-CD2 4.24Å; P202-W356 HydrophobicContact CB-CE3 3.7Å; P202-W356 HydrophobicContact CB-CH2 4.29Å; P202-W356 HydrophobicContact CB-CZ3 3.75Å; P202-W356 HydrophobicContact CG-CD2 4.05Å; P202-W356 HydrophobicContact CG-CE3 3.87Å; P202-W356 HydrophobicContact CG-CH2 3.77Å; P202-W356 HydrophobicContact CG-CZ2 4Å; P202-W356 HydrophobicContact CG-CZ3 3.75Å; W346-W356 WeakPolarHBondContact CB-O 3.31Å; W356-F386 AromaticContact CH2-CD2 3.84Å; W356-F386 HydrophobicContact CH2-CD2 3.84Å; W356-F386 AromaticContact CZ3-CD2 3.86Å; W356-F386 HydrophobicContact CZ3-CD2 3.86Å; W356-F386 HydrophobicContact CZ3-CE2 4.11Å; W356-Y396 AromaticContact CD1-CD1 3.51Å; W356-Y396 AromaticContact CD1-CE1 3.7Å; W356-Y396 AromaticContact CD2-CD1 3.94Å; W356-Y396 HydrophobicContact CD2-CD1 3.94Å; W356-Y396 HydrophobicContact CD2-CG 4.32Å; W356-Y396 VanDerWaalsContact CE2-CB 3.43Å; W356-Y396 AromaticContact CE2-CD1 3.38Å; W356-Y396 AromaticContact CE2-CG 3.5Å; W356-Y396 VanDerWaalsContact CE2-CG 3.5Å; W356-Y396 HydrophobicContact CG-CD1 4.05Å; W356-Y396 VanDerWaalsContact CH2-CB 3.47Å; W356-Y396 HydrophobicContact CH2-CG 4.35Å; W356-Y396 AromaticContact CZ2-CD1 3.95Å; W356-Y396 HydrophobicContact CZ2-CD1 3.95Å; W356-Y396 HydrophobicContact CZ2-CD2 4.21Å; W356-Y396 AromaticContact CZ2-CG 3.54Å; W356-Y396 HydrophobicContact CZ2-CG 3.54Å; W356-Y396 AromaticContact NE1-CD1 3.04Å; W356-Y396 AromaticContact NE1-CE1 3.37Å; W356-Y396 AromaticContact NE1-CG 3.54Å; W356-V397 VanDerWaalsContact CE3-C 3.45Å; W356-V397 VanDerWaalsContact CE3-O 3.22Å; W356-R398 HydrophobicContact CE3-CB 3.81Å; W356-R398 HydrophobicContact CE3-CG 4.39Å; W356-R398 HydrophobicContact CZ3-CB 3.81Å
357I98.8Very high97.4Very high1 Ų143 Ų431%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-122.5120.2-164.7-53.9166.3000109.2L340 A344 E345 W346 L355 Y396 V397 A399 F413L340-I357 HydrophobicContact CD1-CD1 4.19Å; A344-I357 HydrophobicContact CB-CG2 3.54Å; E345-I357 CarbonylContact O-C 3.54Å; W346-I357 HydrophobicContact CB-CG1 4.38Å; W346-I357 HydrophobicContact CE3-CG2 4.36Å; L355-I357 HydrophobicContact CD2-CD1 3.96Å; L355-I357 HydrophobicContact CD2-CG1 3.97Å; L355-I357 HydrophobicContact CG-CD1 4.26Å; L355-I357 HydrophobicContact CG-CG1 3.85Å; I357-Y396 CarbonylContact O-C 3.55Å; I357-Y396 WeakPolarHBondContact O-CA 3.3Å; I357-V397 HydrophobicContact CB-CG2 3.93Å; I357-V397 HydrophobicContact CD1-CG2 4.44Å; I357-V397 PolarHBondContact N-O 2.76Å; I357-V397 PolarHBondContact O-N 3.01Å; I357-A399 HydrophobicContact CD1-CB 4.1Å; I357-F413 HydrophobicContact CD1-CE1 3.87Å; I357-F413 HydrophobicContact CD1-CZ 3.69Å
358K98.6Very high97.2Very high78 Ų7838.2 Ų38.234%0.33922%0.224SC..EExtended strand (participates in β ladder)trans-86.7119.7171.6-164.7-175.1-175179.70109.5A344 E345 P395 Y396A344-K358 CarbonylContact C-O 3.47Å; A344-K358 WeakPolarHBondContact CA-O 3.36Å; A344-K358 VanDerWaalsContact CB-O 3.26Å; A344-K358 WeakPolarHBondContact CB-O 3.33Å; E345-K358 HydrophobicContact CB-CB 4.37Å; E345-K358 PolarHBondContact N-O 2.81Å; E345-K358 PolarHBondContact O-N 2.96Å; K358-P395 HydrophobicContact CG-CB 4.43Å; K358-P395 HydrophobicContact CG-CG 4.26Å; K358-Y396 HydrophobicContact CB-CD1 3.73Å; K358-Y396 HydrophobicContact CB-CE1 3.4Å; K358-Y396 HydrophobicContact CB-CE2 4.44Å; K358-Y396 HydrophobicContact CB-CG 4.41Å; K358-Y396 HydrophobicContact CD-CE1 4.27Å; K358-Y396 HydrophobicContact CD-CE2 4.28Å; K358-Y396 WeakPolarHBondContact CD-OH 3.28Å; K358-Y396 HydrophobicContact CG-CD1 4.21Å; K358-Y396 HydrophobicContact CG-CD2 4.38Å; K358-Y396 HydrophobicContact CG-CE1 3.81Å; K358-Y396 HydrophobicContact CG-CE2 3.94Å; K358-Y396 HydrophobicContact CG-CG 4.5Å
359V98.4Very high97Very high4 Ų433.8 Ų33.82%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-84126.7177.2-175.90000109.5V362 T365 P395 I420V359-V362 HydrophobicContact CB-CB 4.22Å; V359-V362 HydrophobicContact CG1-CB 3.84Å; V359-V362 HydrophobicContact CG1-CG2 3.64Å; V359-T365 HydrophobicContact CB-CG2 4.37Å; V359-T365 HydrophobicContact CG2-CG2 4.03Å; V359-P395 PolarHBondContact N-O 2.97Å; V359-I420 HydrophobicContact CG1-CB 4.45Å; V359-I420 HydrophobicContact CG1-CD1 3.83Å; V359-I420 HydrophobicContact CG1-CG1 3.81Å; V359-I420 HydrophobicContact CG1-CG2 3.73Å; V359-I420 HydrophobicContact CG2-CD1 4.27Å
360K97.4Very high96.9Very high76 Ų7637.5 Ų37.533%0.3322%0.215SC..THydrogen-bonded Turntrans-73.1142.6178.6-65175.1-176.4168.20109.9K341 V343 E345 V362K341-K360 PolarHBondContact O-NZ 3.27Å; K341-K360 VanDerWaalsContact O-NZ 3.14Å; V343-K360 WeakPolarHBondContact O-CB 3.22Å; V343-K360 PolarHBondContact O-N 3.2Å; E345-K360 HydrophobicContact CG-CG 4.47Å; E345-K360 WeakPolarHBondContact OE1-CE 3.4Å; K360-V362 PolarHBondContact O-N 2.92Å; K360-V362 VanDerWaalsContact O-N 3.08Å
361G95.2Very high96.7Very high76 Ų7640.4 Ų40.478%0.78422%0.222SC*.THydrogen-bonded Turntrans68.50.9175.800000116.1
362V95.8Very high96.5Very high22 Ų2244.2 Ų44.213%0.13324%0.238CC..  trans-110.7118.3176.2175.50000108.7V359 K360 D364 T365 L368 P395V359-V362 HydrophobicContact CB-CB 4.22Å; V359-V362 HydrophobicContact CG1-CB 3.84Å; V359-V362 HydrophobicContact CG1-CG2 3.64Å; K360-V362 PolarHBondContact O-N 2.92Å; K360-V362 VanDerWaalsContact O-N 3.08Å; V362-D364 VanDerWaalsContact CG1-O 3.24Å; V362-D364 WeakPolarHBondContact CG1-O 3.49Å; V362-T365 HydrophobicContact CG1-CG2 4.24Å; V362-L368 HydrophobicContact CG1-CD2 4.39Å; V362-L368 HydrophobicContact CG2-CD2 4.36Å; V362-P395 WeakPolarHBondContact O-CB 3.32Å
363A95.8Very high96.1Very high76 Ų7644.2 Ų44.263%0.62824%0.239SC*.SBendtrans-75.9-34.6179.400000112.9P393 C394A363-P393 CarbonylContact O-C 3.17Å; A363-C394 CarbonylContact O-C 3.55Å; A363-C394 VanDerWaalsContact O-C 3.31Å; A363-C394 PolarHBondContact O-N 2.79Å
364D97.3Very high95.7Very high66 Ų6648.6 Ų48.635%0.35326%0.26SS..  trans-139.7124.6-179.3-176.411.3000110.9V362 Q366 P393V362-D364 VanDerWaalsContact CG1-O 3.24Å; V362-D364 WeakPolarHBondContact CG1-O 3.49Å; D364-Q366 WeakPolarHBondContact OD1-CB 3.44Å; D364-Q366 PolarHBondContact OD1-N 3.12Å; D364-P393 HydrophobicContact CB-CB 4.11Å
365T97Very high95.3Very high0 Ų055.3 Ų55.30%029%0.292CS..  trans-86.4-10.1-178.656.80000113.4V359 V362 K367 L368 I369 C394 P395 Y396 V397V359-T365 HydrophobicContact CB-CG2 4.37Å; V359-T365 HydrophobicContact CG2-CG2 4.03Å; V362-T365 HydrophobicContact CG1-CG2 4.24Å; T365-K367 PolarHBondContact O-N 3.39Å; T365-L368 PolarHBondContact O-N 3.08Å; T365-I369 WeakPolarHBondContact O-CB 3.36Å; T365-I369 WeakPolarHBondContact O-CG1 3.42Å; T365-I369 PolarHBondContact O-N 2.8Å; T365-C394 PolarHBondContact N-O 3.48Å; T365-C394 PolarHBondContact OG1-O 2.96Å; T365-C394 VanDerWaalsContact OG1-O 3.08Å; T365-P395 VanDerWaalsContact CG2-C 3.44Å; T365-Y396 PolarHBondContact OG1-O 2.92Å; T365-V397 HydrophobicContact CG2-CG1 3.77Å
366Q96.1Very high94.9Very high84 Ų8458.8 Ų58.839%0.39331%0.307SS..Hα-helixtrans-52.6-55.8-176.5-175.469.75.600111.8D364 M370D364-Q366 WeakPolarHBondContact OD1-CB 3.44Å; D364-Q366 PolarHBondContact OD1-N 3.12Å; Q366-M370 WeakPolarHBondContact O-CB 3.31Å; Q366-M370 VanDerWaalsContact O-CG 3.28Å; Q366-M370 WeakPolarHBondContact O-CG 3.45Å; Q366-M370 PolarHBondContact O-N 2.85Å
367K93.4Very high94.7Very high128 Ų12864.9 Ų64.956%0.55734%0.336SS*.Hα-helixtrans-67.5-42-180-167.8178.6-175.2178.90112.5T365 I369 E371T365-K367 PolarHBondContact O-N 3.39Å; K367-I369 VanDerWaalsContact C-N 3.26Å; K367-I369 PolarHBondContact O-N 3.48Å; K367-E371 WeakPolarHBondContact CE-OE2 3.44Å; K367-E371 HydrophobicContact CG-CG 4.28Å; K367-E371 WeakPolarHBondContact CG-OE2 3.16Å; K367-E371 WeakPolarHBondContact O-CB 3.38Å; K367-E371 PolarHBondContact O-N 3.31Å; K367-E371 VanDerWaalsContact O-N 3.13Å
368L94.2Very high94.5Very high10 Ų1065.4 Ų65.45%0.05234%0.339CS..Iπ-helixtrans-56-44.1179.7-17668000111.2V362 T365 K372 A373 L419 I420 S423V362-L368 HydrophobicContact CG1-CD2 4.39Å; V362-L368 HydrophobicContact CG2-CD2 4.36Å; T365-L368 PolarHBondContact O-N 3.08Å; L368-K372 HydrophobicContact CD1-CD 4.3Å; L368-K372 WeakPolarHBondContact O-CB 3.48Å; L368-K372 PolarHBondContact O-N 3.15Å; L368-A373 PolarHBondContact O-N 3.34Å; L368-L419 HydrophobicContact CD1-CD1 4.07Å; L368-L419 HydrophobicContact CD1-CD2 3.92Å; L368-L419 HydrophobicContact CD1-CG 3.72Å; L368-L419 HydrophobicContact CG-CD2 4.13Å; L368-L419 HydrophobicContact CG-CG 4.41Å; L368-I420 HydrophobicContact CD2-CG1 4.25Å; L368-S423 WeakPolarHBondContact CD1-OG 3.03Å
369I94.5Very high94.4Very high0 Ų068.1 Ų68.10%036%0.357CS..Iπ-helixtrans-85.1-49.8-176.4-61.5-55000112.1T365 K367 E371 A373 L380 P382 V397 L416T365-I369 WeakPolarHBondContact O-CB 3.36Å; T365-I369 WeakPolarHBondContact O-CG1 3.42Å; T365-I369 PolarHBondContact O-N 2.8Å; K367-I369 VanDerWaalsContact C-N 3.26Å; K367-I369 PolarHBondContact O-N 3.48Å; I369-E371 VanDerWaalsContact C-N 3.26Å; I369-E371 PolarHBondContact O-N 3.03Å; I369-A373 HydrophobicContact CD1-CB 4Å; I369-A373 WeakPolarHBondContact O-CB 3.38Å; I369-L380 HydrophobicContact CD1-CB 4.42Å; I369-L380 HydrophobicContact CD1-CD1 3.88Å; I369-L380 HydrophobicContact CG2-CB 4.39Å; I369-L380 WeakPolarHBondContact CG2-O 3.46Å; I369-P382 HydrophobicContact CB-CG 4Å; I369-P382 HydrophobicContact CG2-CG 4.02Å; I369-V397 HydrophobicContact CD1-CG1 3.93Å; I369-V397 HydrophobicContact CG1-CG1 3.66Å; I369-L416 HydrophobicContact CD1-CD1 4.17Å
370M94.5Very high94.3Very high80 Ų8068.5 Ų68.539%0.39436%0.359SS..Iπ-helixtrans-76.9-10.4-171.7-60.9-56.5-56.300114Q366 M374 P382Q366-M370 WeakPolarHBondContact O-CB 3.31Å; Q366-M370 VanDerWaalsContact O-CG 3.28Å; Q366-M370 WeakPolarHBondContact O-CG 3.45Å; Q366-M370 PolarHBondContact O-N 2.85Å; M370-M374 WeakPolarHBondContact O-CE 3.49Å; M370-P382 HydrophobicContact CG-CG 3.85Å; M370-P382 HydrophobicContact SD-CG 3.95Å
371E92.3Very high94.3Very high100 Ų10067 Ų6747%0.46736%0.356SS..Iπ-helixtrans-116.8-64.4173.5-60176.5-167.100110K367 I369K367-E371 WeakPolarHBondContact CE-OE2 3.44Å; K367-E371 HydrophobicContact CG-CG 4.28Å; K367-E371 WeakPolarHBondContact CG-OE2 3.16Å; K367-E371 WeakPolarHBondContact O-CB 3.38Å; K367-E371 PolarHBondContact O-N 3.31Å; K367-E371 VanDerWaalsContact O-N 3.13Å; I369-E371 VanDerWaalsContact C-N 3.26Å; I369-E371 PolarHBondContact O-N 3.03Å
372K93.5Very high94.4Very high80 Ų8063.6 Ų63.635%0.34832%0.32SS..Iπ-helixtrans-79.2-37.5-167.3-52.5-173.2-178.6-176.90114.6L368 M374 E375 K376 L419 S423L368-K372 HydrophobicContact CD1-CD 4.3Å; L368-K372 WeakPolarHBondContact O-CB 3.48Å; L368-K372 PolarHBondContact O-N 3.15Å; K372-M374 VanDerWaalsContact C-N 3.3Å; K372-M374 PolarHBondContact O-N 3.04Å; K372-E375 PolarHBondContact O-N 2.99Å; K372-K376 PolarHBondContact O-N 2.76Å; K372-L419 HydrophobicContact CB-CD1 3.47Å; K372-L419 VanDerWaalsContact CB-CD1 3.47Å; K372-L419 HydrophobicContact CB-CD2 4.14Å; K372-L419 HydrophobicContact CB-CG 4.41Å; K372-L419 HydrophobicContact CD-CD1 3.85Å; K372-L419 HydrophobicContact CG-CD1 4.35Å; K372-S423 PolarHBondContact NZ-OG 3.03Å
373A90.7Very high94.5Very high1 Ų162.6 Ų62.61%0.00831%0.314CS..Iπ-helixtrans-67.1-33.9-179.600000112L368 I369 E375 K376 E377 V378 L419L368-A373 PolarHBondContact O-N 3.34Å; I369-A373 HydrophobicContact CD1-CB 4Å; I369-A373 WeakPolarHBondContact O-CB 3.38Å; A373-E375 VanDerWaalsContact C-N 3.34Å; A373-E375 PolarHBondContact O-N 3.36Å; A373-K376 CarbonylContact O-C 3.46Å; A373-K376 WeakPolarHBondContact O-CA 3.31Å; A373-K376 PolarHBondContact O-N 2.96Å; A373-K376 VanDerWaalsContact O-N 3.09Å; A373-E377 PolarHBondContact O-N 3.15Å; A373-E377 VanDerWaalsContact O-N 3.15Å; A373-V378 CarbonylContact C-O 3.09Å; A373-V378 WeakPolarHBondContact CB-O 3.37Å; A373-V378 PolarHBondContact O-N 3.14Å; A373-V378 VanDerWaalsContact O-O 3.07Å; A373-L419 HydrophobicContact CB-CD2 3.68Å
374M89.1Confident94.6Very high99 Ų9959.1 Ų59.149%0.48829%0.285SS..Hα-helixtrans-63.8-37.9175.2-61-166-45.300112.4M370 K372 K376 E377M370-M374 WeakPolarHBondContact O-CE 3.49Å; K372-M374 VanDerWaalsContact C-N 3.3Å; K372-M374 PolarHBondContact O-N 3.04Å; M374-K376 PolarHBondContact O-N 3.09Å; M374-E377 WeakPolarHBondContact O-CA 3.49Å; M374-E377 PolarHBondContact O-N 3.36Å
375E90.9Very high94.6Very high157 Ų15758.6 Ų58.673%0.73429%0.285SS*.Hα-helixtrans-63.1-28.4174-66.6175.7174.800112.4K372 A373 E377K372-E375 PolarHBondContact O-N 2.99Å; A373-E375 VanDerWaalsContact C-N 3.34Å; A373-E375 PolarHBondContact O-N 3.36Å; E375-E377 VanDerWaalsContact C-N 3.28Å
376K91.3Very high94.6Very high73 Ų7358.7 Ų58.732%0.31729%0.285SS..THydrogen-bonded Turntrans-90.29.6173.2-54.5-77.1-176.71590112.1K372 A373 M374 V378 R415 E422K372-K376 PolarHBondContact O-N 2.76Å; A373-K376 CarbonylContact O-C 3.46Å; A373-K376 WeakPolarHBondContact O-CA 3.31Å; A373-K376 PolarHBondContact O-N 2.96Å; A373-K376 VanDerWaalsContact O-N 3.09Å; M374-K376 PolarHBondContact O-N 3.09Å; K376-V378 VanDerWaalsContact C-N 3.29Å; K376-V378 PolarHBondContact O-N 3.39Å; K376-R415 WeakPolarHBondContact O-CD 3.48Å; K376-R415 PolarHBondContact O-NH1 3.46Å; K376-E422 IonicContact NZ-OE1 2.96Å; K376-E422 PolarHBondContact NZ-OE1 2.87Å; K376-E422 IonicContact NZ-OE2 2.88Å; K376-E422 PolarHBondContact NZ-OE2 3.05Å
377E94.1Very high94.7Very high152 Ų15257.5 Ų57.571%0.7128%0.28SS*.THydrogen-bonded Turntrans55.236.7-178.5-28.1166.8128.600114.1A373 M374 E375 R415A373-E377 PolarHBondContact O-N 3.15Å; A373-E377 VanDerWaalsContact O-N 3.15Å; M374-E377 WeakPolarHBondContact O-CA 3.49Å; M374-E377 PolarHBondContact O-N 3.36Å; E375-E377 VanDerWaalsContact C-N 3.28Å; E377-R415 IonicContact OE2-CZ 2.7Å; E377-R415 IonicContact OE2-NH1 2.96Å; E377-R415 PolarHBondContact OE2-NH1 3.41Å; E377-R415 IonicContact OE2-NH2 2.89Å; E377-R415 PolarHBondContact OE2-NH2 3.41Å
378V94.9Very high94.9Very high11 Ų1153.6 Ų53.67%0.06727%0.265CS..  trans-117.9129.8171.7-176.90000109.4A373 K376 L380 A412 R415A373-V378 CarbonylContact C-O 3.09Å; A373-V378 WeakPolarHBondContact CB-O 3.37Å; A373-V378 PolarHBondContact O-N 3.14Å; A373-V378 VanDerWaalsContact O-O 3.07Å; K376-V378 VanDerWaalsContact C-N 3.29Å; K376-V378 PolarHBondContact O-N 3.39Å; V378-L380 HydrophobicContact CG1-CD1 3.58Å; V378-L380 HydrophobicContact CG1-CG 4.4Å; V378-A412 HydrophobicContact CG1-CB 4.18Å; V378-A412 HydrophobicContact CG2-CB 4.46Å; V378-R415 HydrophobicContact CG2-CB 3.5Å; V378-R415 HydrophobicContact CG2-CG 4.21Å
379L95.1Very high94.9Very high135 Ų13556.6 Ų56.671%0.70728%0.281SS*.  trans-119.2120.9176.5-174.363.5000110.4
380L96.3Very high94.8Very high13 Ų1360 Ų607%0.06831%0.305CS..  trans-123.5175.7168.8-59.5109.4000108.9I369 V378 V397 A399 L416I369-L380 HydrophobicContact CD1-CB 4.42Å; I369-L380 HydrophobicContact CD1-CD1 3.88Å; I369-L380 HydrophobicContact CG2-CB 4.39Å; I369-L380 WeakPolarHBondContact CG2-O 3.46Å; V378-L380 HydrophobicContact CG1-CD1 3.58Å; V378-L380 HydrophobicContact CG1-CG 4.4Å; L380-V397 HydrophobicContact CB-CB 4.31Å; L380-V397 HydrophobicContact CD2-CB 4.44Å; L380-V397 HydrophobicContact CD2-CG2 4.03Å; L380-A399 HydrophobicContact CD2-CB 3.76Å; L380-L416 HydrophobicContact CD1-CD1 4.07Å; L380-L416 HydrophobicContact CD1-CD2 4.04Å; L380-L416 HydrophobicContact CD2-CD2 4.22Å
381V97.9Very high94.8Very high44 Ų4461.1 Ų61.127%0.26732%0.32SS..EExtended strand (participates in β ladder)trans-102119.9172.7-171.90000109.6V385 F386 V397 R398V381-V385 HydrophobicContact CG1-CG2 3.5Å; V381-V385 VanDerWaalsContact CG1-CG2 3.5Å; V381-F386 HydrophobicContact CB-CE2 4.07Å; V381-F386 HydrophobicContact CB-CZ 4.19Å; V381-F386 HydrophobicContact CG1-CE2 3.56Å; V381-F386 HydrophobicContact CG1-CZ 3.68Å; V381-V397 CarbonylContact O-C 3.6Å; V381-V397 WeakPolarHBondContact O-CA 3.43Å; V381-R398 HydrophobicContact CB-CB 4.29Å; V381-R398 PolarHBondContact N-O 2.66Å; V381-R398 PolarHBondContact O-N 2.66Å
382P97.9Very high94.9Very high5 Ų560.5 Ų60.53%0.03232%0.32CS..EExtended strand (participates in β ladder)trans-58.2145.4172.4-18.828.5000111.6I369 M370 G384 V385I369-P382 HydrophobicContact CB-CG 4Å; I369-P382 HydrophobicContact CG2-CG 4.02Å; M370-P382 HydrophobicContact CG-CG 3.85Å; M370-P382 HydrophobicContact SD-CG 3.95Å; P382-G384 VanDerWaalsContact C-N 3.33Å; P382-G384 PolarHBondContact O-N 3.11Å; P382-V385 WeakPolarHBondContact O-CG2 3.17Å
383G97.8Very high95.1Very high0 Ų061 Ų610%033%0.332CS..G310 helixtrans-73.4-24.5-16800000115.1V385 F386 Y396G383-V385 PolarHBondContact O-N 3.22Å; G383-V385 VanDerWaalsContact O-N 3.11Å; G383-F386 PolarHBondContact O-N 3.36Å; G383-Y396 WeakPolarHBondContact CA-O 3.36Å; G383-Y396 PolarHBondContact N-O 2.98Å
384G97.5Very high95.4Very high3 Ų361.2 Ų61.23%0.03133%0.333CS..G310 helixtrans-55.5-32.4-178.300000113.1P382 F386 M387 S390P382-G384 VanDerWaalsContact C-N 3.33Å; P382-G384 PolarHBondContact O-N 3.11Å; G384-F386 PolarHBondContact O-N 3.29Å; G384-M387 WeakPolarHBondContact O-CB 3.49Å; G384-M387 PolarHBondContact O-N 2.9Å; G384-S390 VanDerWaalsContact O-CA 3.28Å; G384-S390 WeakPolarHBondContact O-CA 3.44Å; G384-S390 WeakPolarHBondContact O-CB 3.44Å
385V96.8Very high95.8Very high56 Ų5657.9 Ų57.934%0.33932%0.319SS..G310 helixtrans-65.3-15-178.9-47.70000114.2S142 V381 P382 G383S142-V385 VanDerWaalsContact CB-O 3.3Å; S142-V385 WeakPolarHBondContact CB-O 3.46Å; V381-V385 HydrophobicContact CG1-CG2 3.5Å; V381-V385 VanDerWaalsContact CG1-CG2 3.5Å; P382-V385 WeakPolarHBondContact O-CG2 3.17Å; G383-V385 PolarHBondContact O-N 3.22Å; G383-V385 VanDerWaalsContact O-N 3.11Å
386F98.3Very high96.2Very high1 Ų153.9 Ų53.90%0.00430%0.298CS..G310 helixtrans-100.9-3.5178.6-55.7-74.6000112.8P139 T140 P202 W356 V381 G383 G384 R398P139-F386 CarbonylContact C-O 3.54Å; P139-F386 VanDerWaalsContact CA-O 3.27Å; P139-F386 WeakPolarHBondContact CA-O 3.3Å; P139-F386 HydrophobicContact CB-CB 3.77Å; T140-F386 PolarHBondContact N-O 3.49Å; T140-F386 WeakPolarHBondContact O-CA 3.38Å; T140-F386 WeakPolarHBondContact O-CB 3.17Å; T140-F386 WeakPolarHBondContact O-CD1 3.39Å; P202-F386 HydrophobicContact CB-CD1 3.96Å; P202-F386 HydrophobicContact CB-CD2 3.84Å; P202-F386 HydrophobicContact CB-CE1 4.07Å; P202-F386 HydrophobicContact CB-CE2 3.94Å; P202-F386 HydrophobicContact CB-CG 3.85Å; P202-F386 HydrophobicContact CB-CZ 4.07Å; P202-F386 HydrophobicContact CG-CB 3.74Å; P202-F386 HydrophobicContact CG-CD1 3.99Å; P202-F386 HydrophobicContact CG-CD2 3.8Å; P202-F386 HydrophobicContact CG-CE2 4.41Å; P202-F386 HydrophobicContact CG-CG 3.56Å; W356-F386 AromaticContact CH2-CD2 3.84Å; W356-F386 HydrophobicContact CH2-CD2 3.84Å; W356-F386 AromaticContact CZ3-CD2 3.86Å; W356-F386 HydrophobicContact CZ3-CD2 3.86Å; W356-F386 HydrophobicContact CZ3-CE2 4.11Å; V381-F386 HydrophobicContact CB-CE2 4.07Å; V381-F386 HydrophobicContact CB-CZ 4.19Å; V381-F386 HydrophobicContact CG1-CE2 3.56Å; V381-F386 HydrophobicContact CG1-CZ 3.68Å; G383-F386 PolarHBondContact O-N 3.36Å; G384-F386 PolarHBondContact O-N 3.29Å; F386-R398 HydrophobicContact CE2-CB 3.88Å; F386-R398 HydrophobicContact CZ-CB 4.18Å
387M97.8Very high96.5Very high59 Ų5950.4 Ų50.429%0.29128%0.283SS..SBendtrans-88.2151177.1-55.7-55.2-67.500110.2P139 L145 G384 N389P139-M387 HydrophobicContact CB-SD 3.79Å; L145-M387 VanDerWaalsContact CD1-O 3.24Å; L145-M387 WeakPolarHBondContact CD1-O 3.29Å; G384-M387 WeakPolarHBondContact O-CB 3.49Å; G384-M387 PolarHBondContact O-N 2.9Å; M387-N389 VanDerWaalsContact C-N 3.25Å; M387-N389 PolarHBondContact O-N 3.36Å
388I97Very high96.8Very high46 Ų4645.2 Ų45.224%0.23626%0.257CS..SBendtrans-55.1-45.6176.9-65.7173000110.7L136 A138 L145 Q149 L155 N157L136-I388 HydrophobicContact CD1-CD1 4Å; L136-I388 HydrophobicContact CD1-CG1 4.16Å; A138-I388 HydrophobicContact CB-CD1 4.29Å; A138-I388 HydrophobicContact CB-CG1 4.07Å; L145-I388 HydrophobicContact CD2-CG1 4.29Å; Q149-I388 PolarHBondContact NE2-O 2.84Å; L155-I388 HydrophobicContact CB-CD1 4.08Å; L155-I388 HydrophobicContact CB-CG1 4.41Å; L155-I388 HydrophobicContact CB-CG2 4.01Å; L155-I388 HydrophobicContact CD1-CG2 4.23Å; N157-I388 HydrophobicContact CB-CD1 3.88Å
389N95.1Very high96.9Very high73 Ų7345.1 Ų45.139%0.3926%0.257SS..SBendtrans-104.7103170.6-179.610.7000109.2M387 S391 D392M387-N389 VanDerWaalsContact C-N 3.25Å; M387-N389 PolarHBondContact O-N 3.36Å; N389-S391 PolarHBondContact O-N 2.87Å; N389-S391 PolarHBondContact OD1-N 2.76Å; N389-D392 WeakPolarHBondContact CB-OD2 3.43Å; N389-D392 PolarHBondContact ND2-OD1 3.32Å; N389-D392 PolarHBondContact ND2-OD2 3.36Å; N389-D392 VanDerWaalsContact ND2-OD2 3.08Å; N389-D392 PolarHBondContact O-N 3.33Å
390S93.1Very high97.1Very high73 Ų7340.6 Ų40.651%0.5124%0.239SC..THydrogen-bonded Turntrans-72.3-8.7-176.558.10000114.5G384G384-S390 VanDerWaalsContact O-CA 3.28Å; G384-S390 WeakPolarHBondContact O-CA 3.44Å; G384-S390 WeakPolarHBondContact O-CB 3.44Å
391S92.9Very high97.2Very high102 Ų10240 Ų4071%0.71324%0.236SC*.THydrogen-bonded Turntrans-86.5-13.1176.5-55.20000112.8N389N389-S391 PolarHBondContact O-N 2.87Å; N389-S391 PolarHBondContact OD1-N 2.76Å
392D94.9Very high97.2Very high87 Ų8739 Ų3947%0.46523%0.231SC..SBendtrans-72.5138178.4-69.3-23000110.6N389 C394N389-D392 WeakPolarHBondContact CB-OD2 3.43Å; N389-D392 PolarHBondContact ND2-OD1 3.32Å; N389-D392 PolarHBondContact ND2-OD2 3.36Å; N389-D392 VanDerWaalsContact ND2-OD2 3.08Å; N389-D392 PolarHBondContact O-N 3.33Å; D392-C394 PolarHBondContact O-N 2.94Å
393P97.1Very high97.1Very high91 Ų9146.3 Ų46.359%0.59127%0.269SS*.  trans-52.9128.4177.2-28.836000112.3A363 D364A363-P393 CarbonylContact O-C 3.17Å; D364-P393 HydrophobicContact CB-CB 4.11Å
394C97.9Very high97.1Very high5 Ų548.4 Ų48.43%0.03428%0.284CS..  trans-129.8115.8-179.4-169.60000112A363 T365 D392 Y396A363-C394 CarbonylContact O-C 3.55Å; A363-C394 VanDerWaalsContact O-C 3.31Å; A363-C394 PolarHBondContact O-N 2.79Å; T365-C394 PolarHBondContact N-O 3.48Å; T365-C394 PolarHBondContact OG1-O 2.96Å; T365-C394 VanDerWaalsContact OG1-O 3.08Å; D392-C394 PolarHBondContact O-N 2.94Å; C394-Y396 PolarHBondContact O-N 2.94Å; C394-Y396 VanDerWaalsContact O-N 3.12Å
395P98.1Very high97.1Very high30 Ų3051 Ų5120%0.19530%0.299CS..  trans-8010.7-176.835.1-39.1000113.1K358 V359 V362 T365K358-P395 HydrophobicContact CG-CB 4.43Å; K358-P395 HydrophobicContact CG-CG 4.26Å; V359-P395 PolarHBondContact N-O 2.97Å; V362-P395 WeakPolarHBondContact O-CB 3.32Å; T365-P395 VanDerWaalsContact CG2-C 3.44Å
396Y98.6Very high97.1Very high72 Ų7251 Ų5128%0.28230%0.3SS..EExtended strand (participates in β ladder)trans-108.5154.7-172.2-71.4-95.5000113.4W356 I357 K358 T365 G383 C394W356-Y396 AromaticContact CD1-CD1 3.51Å; W356-Y396 AromaticContact CD1-CE1 3.7Å; W356-Y396 AromaticContact CD2-CD1 3.94Å; W356-Y396 HydrophobicContact CD2-CD1 3.94Å; W356-Y396 HydrophobicContact CD2-CG 4.32Å; W356-Y396 VanDerWaalsContact CE2-CB 3.43Å; W356-Y396 AromaticContact CE2-CD1 3.38Å; W356-Y396 AromaticContact CE2-CG 3.5Å; W356-Y396 VanDerWaalsContact CE2-CG 3.5Å; W356-Y396 HydrophobicContact CG-CD1 4.05Å; W356-Y396 VanDerWaalsContact CH2-CB 3.47Å; W356-Y396 HydrophobicContact CH2-CG 4.35Å; W356-Y396 AromaticContact CZ2-CD1 3.95Å; W356-Y396 HydrophobicContact CZ2-CD1 3.95Å; W356-Y396 HydrophobicContact CZ2-CD2 4.21Å; W356-Y396 AromaticContact CZ2-CG 3.54Å; W356-Y396 HydrophobicContact CZ2-CG 3.54Å; W356-Y396 AromaticContact NE1-CD1 3.04Å; W356-Y396 AromaticContact NE1-CE1 3.37Å; W356-Y396 AromaticContact NE1-CG 3.54Å; I357-Y396 CarbonylContact O-C 3.55Å; I357-Y396 WeakPolarHBondContact O-CA 3.3Å; K358-Y396 HydrophobicContact CB-CD1 3.73Å; K358-Y396 HydrophobicContact CB-CE1 3.4Å; K358-Y396 HydrophobicContact CB-CE2 4.44Å; K358-Y396 HydrophobicContact CB-CG 4.41Å; K358-Y396 HydrophobicContact CD-CE1 4.27Å; K358-Y396 HydrophobicContact CD-CE2 4.28Å; K358-Y396 WeakPolarHBondContact CD-OH 3.28Å; K358-Y396 HydrophobicContact CG-CD1 4.21Å; K358-Y396 HydrophobicContact CG-CD2 4.38Å; K358-Y396 HydrophobicContact CG-CE1 3.81Å; K358-Y396 HydrophobicContact CG-CE2 3.94Å; K358-Y396 HydrophobicContact CG-CG 4.5Å; T365-Y396 PolarHBondContact OG1-O 2.92Å; G383-Y396 WeakPolarHBondContact CA-O 3.36Å; G383-Y396 PolarHBondContact N-O 2.98Å; C394-Y396 PolarHBondContact O-N 2.94Å; C394-Y396 VanDerWaalsContact O-N 3.12Å
397V98.4Very high97.1Very high0 Ų057.2 Ų57.20%033%0.329CS..EExtended strand (participates in β ladder)trans-131.6147.9167.3-61.20000110.8W356 I357 T365 I369 L380 V381W356-V397 VanDerWaalsContact CE3-C 3.45Å; W356-V397 VanDerWaalsContact CE3-O 3.22Å; I357-V397 HydrophobicContact CB-CG2 3.93Å; I357-V397 HydrophobicContact CD1-CG2 4.44Å; I357-V397 PolarHBondContact N-O 2.76Å; I357-V397 PolarHBondContact O-N 3.01Å; T365-V397 HydrophobicContact CG2-CG1 3.77Å; I369-V397 HydrophobicContact CD1-CG1 3.93Å; I369-V397 HydrophobicContact CG1-CG1 3.66Å; L380-V397 HydrophobicContact CB-CB 4.31Å; L380-V397 HydrophobicContact CD2-CB 4.44Å; L380-V397 HydrophobicContact CD2-CG2 4.03Å; V381-V397 CarbonylContact O-C 3.6Å; V381-V397 WeakPolarHBondContact O-CA 3.43Å
398R98.7Very high97.1Very high44 Ų4459.8 Ų59.817%0.16634%0.34CS..EExtended strand (participates in β ladder)trans-99.8121.6171.2-165.9-168.171.2-172.3-3.4110.3N201 P202 F354 W356 V381 F386N201-R398 PolarHBondContact ND2-NH1 3.47Å; N201-R398 PolarHBondContact OD1-NH1 2.94Å; P202-R398 HydrophobicContact CB-CB 4.11Å; P202-R398 HydrophobicContact CB-CG 3.81Å; F354-R398 HydrophobicContact CB-CG 3.86Å; F354-R398 HydrophobicContact CD1-CG 4.08Å; F354-R398 HydrophobicContact CG-CG 4.02Å; W356-R398 HydrophobicContact CE3-CB 3.81Å; W356-R398 HydrophobicContact CE3-CG 4.39Å; W356-R398 HydrophobicContact CZ3-CB 3.81Å; V381-R398 HydrophobicContact CB-CB 4.29Å; V381-R398 PolarHBondContact N-O 2.66Å; V381-R398 PolarHBondContact O-N 2.66Å; F386-R398 HydrophobicContact CE2-CB 3.88Å; F386-R398 HydrophobicContact CZ-CB 4.18Å
399A98.6Very high97.2Very high8 Ų857.8 Ų57.87%0.06633%0.33CS..EExtended strand (participates in β ladder)trans-102.9137.3169.100000109.9M332 F354 L355 I357 L380 F413M332-A399 HydrophobicContact CE-CB 4.31Å; M332-A399 HydrophobicContact SD-CB 4.45Å; F354-A399 CarbonylContact C-O 3.49Å; F354-A399 VanDerWaalsContact CA-O 3.3Å; F354-A399 WeakPolarHBondContact CA-O 3.4Å; L355-A399 HydrophobicContact CB-CB 4.46Å; L355-A399 PolarHBondContact N-O 3.38Å; L355-A399 PolarHBondContact O-N 3.38Å; I357-A399 HydrophobicContact CD1-CB 4.1Å; L380-A399 HydrophobicContact CD2-CB 3.76Å; A399-F413 HydrophobicContact CB-CE1 4.16Å; A399-F413 HydrophobicContact CB-CZ 4.16Å
400A98.5Very high97.4Very high41 Ų4156.3 Ų56.334%0.33932%0.322SS..EExtended strand (participates in β ladder)trans-104.5136.8175.300000110.5M332 M353 F354M332-A400 VanDerWaalsContact CE-O 3.26Å; M332-A400 WeakPolarHBondContact CE-O 3.36Å; M353-A400 WeakPolarHBondContact O-CA 3.21Å; F354-A400 HydrophobicContact CD1-CB 3.76Å; F354-A400 HydrophobicContact CE1-CB 3.82Å
401F98.3Very high97.6Very high1 Ų156 Ų560%0.00431%0.313CS..  trans-107.517.817651.3-99.3000112.7F237 Y325 Q328 R329 M332 P349 M353 F354 I409F237-F401 HydrophobicContact CE2-CZ 4.5Å; F237-F401 HydrophobicContact CZ-CE2 4.06Å; F237-F401 HydrophobicContact CZ-CZ 4.03Å; Y325-F401 HydrophobicContact CD1-CD2 4.23Å; Y325-F401 HydrophobicContact CD1-CE2 4.12Å; Q328-F401 HydrophobicContact CB-CB 4.28Å; Q328-F401 HydrophobicContact CB-CD2 3.89Å; Q328-F401 VanDerWaalsContact CB-O 3.31Å; Q328-F401 WeakPolarHBondContact CB-O 3.36Å; Q328-F401 PolarHBondContact NE2-O 3.44Å; R329-F401 HydrophobicContact CB-CD2 4.22Å; R329-F401 HydrophobicContact CB-CE1 4.3Å; R329-F401 HydrophobicContact CB-CE2 3.74Å; R329-F401 HydrophobicContact CB-CZ 3.79Å; R329-F401 HydrophobicContact CG-CE1 4.36Å; R329-F401 HydrophobicContact CG-CZ 4.09Å; M332-F401 HydrophobicContact CB-CB 4.1Å; M332-F401 HydrophobicContact CB-CD1 4.45Å; M332-F401 HydrophobicContact CE-CB 3.57Å; M332-F401 HydrophobicContact CG-CB 4.4Å; M332-F401 HydrophobicContact CG-CD1 4.39Å; P349-F401 HydrophobicContact CG-CE1 4.2Å; M353-F401 VanDerWaalsContact C-CZ 3.48Å; M353-F401 VanDerWaalsContact CA-CE2 3.49Å; M353-F401 HydrophobicContact CB-CE2 4.34Å; M353-F401 PolarHBondContact O-N 3.14Å; M353-F401 VanDerWaalsContact O-N 3.12Å; F354-F401 VanDerWaalsContact C-CE1 3.49Å; F354-F401 VanDerWaalsContact N-CE1 3.29Å; F401-I409 HydrophobicContact CB-CD1 4.46Å
402S97.3Very high97.9Very high23 Ų2352.5 Ų52.516%0.16129%0.29CS..SBendtrans-80.3-26.3-172.960.30000115.4
403L96.9Very high98.1Very high157 Ų15748.6 Ų48.682%0.82227%0.268SS*.SBendtrans-126.8-34.3-170.5-62.8176.9000113.9
404S96.6Very high98.1Very high45 Ų4548.6 Ų48.632%0.31526%0.259SS..  trans-70.9143.6-175.2-580000112Q328Q328-S404 PolarHBondContact NE2-O 2.84Å
405T98Very high98.1Very high58 Ų5851.8 Ų51.836%0.35627%0.271SS..  trans-73160.9172.578.50000111.2E407 Q408 I409T405-E407 VanDerWaalsContact CB-OE2 3.26Å; T405-E407 WeakPolarHBondContact CB-OE2 3.46Å; T405-E407 PolarHBondContact O-N 3.36Å; T405-E407 PolarHBondContact OG1-N 2.88Å; T405-E407 PolarHBondContact OG1-OE2 3.33Å; T405-Q408 PolarHBondContact O-N 3.07Å; T405-Q408 VanDerWaalsContact O-N 3.12Å; T405-Q408 PolarHBondContact OG1-N 3.35Å; T405-I409 WeakPolarHBondContact O-CG1 3.49Å; T405-I409 PolarHBondContact O-N 3.08Å
406P97.3Very high98.1Very high54 Ų5450.4 Ų50.435%0.35126%0.262SS..Hα-helixtrans-52.4-36.4173.8-29.437.6000114.1A331 I409 D410A331-P406 HydrophobicContact CB-CB 4.1Å; A331-P406 HydrophobicContact CB-CG 4.14Å; P406-I409 WeakPolarHBondContact O-CB 3.37Å; P406-I409 PolarHBondContact O-N 2.79Å; P406-D410 PolarHBondContact O-N 3.31Å
407E98.3Very high98.1Very high132 Ų13247.1 Ų47.162%0.61725%0.249SC*.Hα-helixtrans-70.2-41.1178.5-57.470.8-152.100111.7T405 I409 D410 E411T405-E407 VanDerWaalsContact CB-OE2 3.26Å; T405-E407 WeakPolarHBondContact CB-OE2 3.46Å; T405-E407 PolarHBondContact O-N 3.36Å; T405-E407 PolarHBondContact OG1-N 2.88Å; T405-E407 PolarHBondContact OG1-OE2 3.33Å; E407-I409 VanDerWaalsContact C-N 3.33Å; E407-D410 PolarHBondContact O-N 3.16Å; E407-E411 PolarHBondContact O-N 3.21Å
408Q98.4Very high98Very high113 Ų11349.1 Ų49.153%0.52827%0.265SS..Hα-helixtrans-65.7-39.3175.2-70.2175.9-31.300111.4T405 A412T405-Q408 PolarHBondContact O-N 3.07Å; T405-Q408 VanDerWaalsContact O-N 3.12Å; T405-Q408 PolarHBondContact OG1-N 3.35Å; Q408-A412 WeakPolarHBondContact O-CB 3.44Å; Q408-A412 PolarHBondContact O-N 2.9Å
409I98.4Very high97.8Very high4 Ų447.1 Ų47.12%0.02126%0.258CS..Hα-helixtrans-59.5-47.7173-74170.9000110.1M332 F401 T405 P406 E407 A412 F413M332-I409 HydrophobicContact CB-CD1 4.43Å; M332-I409 HydrophobicContact CB-CG2 4.3Å; M332-I409 HydrophobicContact CE-CD1 3.96Å; M332-I409 HydrophobicContact CE-CG1 3.86Å; M332-I409 HydrophobicContact CE-CG2 4.37Å; M332-I409 HydrophobicContact SD-CD1 4.5Å; M332-I409 HydrophobicContact SD-CG1 4.29Å; M332-I409 HydrophobicContact SD-CG2 3.68Å; F401-I409 HydrophobicContact CB-CD1 4.46Å; T405-I409 WeakPolarHBondContact O-CG1 3.49Å; T405-I409 PolarHBondContact O-N 3.08Å; P406-I409 WeakPolarHBondContact O-CB 3.37Å; P406-I409 PolarHBondContact O-N 2.79Å; E407-I409 VanDerWaalsContact C-N 3.33Å; I409-A412 PolarHBondContact O-N 3.21Å; I409-F413 PolarHBondContact O-N 2.79Å; I409-F413 VanDerWaalsContact O-N 3.08Å
410D98.6Very high97.6Very high43 Ų4346.7 Ų46.723%0.2326%0.255CS..Hα-helixtrans-61.6-47.2-179.8-16363.5000113S335 K338 W339 P406 E407 F413 K414S335-D410 VanDerWaalsContact OG-CA 3.27Å; S335-D410 WeakPolarHBondContact OG-CA 3.34Å; S335-D410 PolarHBondContact OG-OD1 3.33Å; S335-D410 VanDerWaalsContact OG-OD1 3.12Å; K338-D410 IonicContact NZ-OD1 2.87Å; K338-D410 PolarHBondContact NZ-OD1 3.45Å; K338-D410 IonicContact NZ-OD2 2.77Å; K338-D410 PolarHBondContact NZ-OD2 3.27Å; W339-D410 VanDerWaalsContact NE1-CG 3.35Å; W339-D410 PolarHBondContact NE1-OD1 3.21Å; W339-D410 PolarHBondContact NE1-OD2 3.29Å; P406-D410 PolarHBondContact O-N 3.31Å; E407-D410 PolarHBondContact O-N 3.16Å; D410-F413 PolarHBondContact O-N 3.44Å; D410-K414 WeakPolarHBondContact O-CB 3.43Å; D410-K414 PolarHBondContact O-N 3.05Å
411E98.6Very high97.5Very high66 Ų6650.2 Ų50.231%0.30826%0.263SS..Hα-helixtrans-67.2-37.5179.1-17658.2-159.800111.8E407 K414 R415E407-E411 PolarHBondContact O-N 3.21Å; E411-K414 PolarHBondContact O-N 3.1Å; E411-K414 IonicContact OE2-NZ 3.58Å; E411-K414 PolarHBondContact OE2-NZ 3.1Å; E411-R415 WeakPolarHBondContact O-CB 3.2Å; E411-R415 WeakPolarHBondContact O-CD 3.45Å; E411-R415 VanDerWaalsContact O-CG 3.26Å; E411-R415 WeakPolarHBondContact O-CG 3.49Å; E411-R415 PolarHBondContact O-N 3.27Å; E411-R415 IonicContact OE1-CZ 3.51Å; E411-R415 IonicContact OE1-NE 3.87Å; E411-R415 PolarHBondContact OE1-NE 3.31Å; E411-R415 IonicContact OE1-NH2 2.72Å
412A98.3Very high97.2Very high28 Ų2855.7 Ų55.723%0.23129%0.288CS..Hα-helixtrans-62.1-44.9176.600000112.3V378 Q408 I409 R415 L416V378-A412 HydrophobicContact CG1-CB 4.18Å; V378-A412 HydrophobicContact CG2-CB 4.46Å; Q408-A412 WeakPolarHBondContact O-CB 3.44Å; Q408-A412 PolarHBondContact O-N 2.9Å; I409-A412 PolarHBondContact O-N 3.21Å; A412-R415 PolarHBondContact O-N 3.47Å; A412-L416 WeakPolarHBondContact O-CB 3.41Å; A412-L416 PolarHBondContact O-N 3.03Å
413F98.6Very high96.5Very high5 Ų556.6 Ų56.62%0.02229%0.294CS..Hα-helixtrans-74.3-31.4179-77.5-8.2000113.8M332 A336 W339 L340 L355 I357 A399 I409 D410 L416 S417M332-F413 HydrophobicContact CG-CE2 3.89Å; M332-F413 HydrophobicContact CG-CZ 4.02Å; M332-F413 WeakPolarHBondContact O-CE2 3.38Å; M332-F413 HydrophobicContact SD-CD2 4.23Å; M332-F413 HydrophobicContact SD-CE1 3.99Å; M332-F413 HydrophobicContact SD-CE2 3.26Å; M332-F413 WeakPolarHBondContact SD-CE2 3.48Å; M332-F413 HydrophobicContact SD-CZ 3.13Å; M332-F413 WeakPolarHBondContact SD-CZ 3.34Å; A336-F413 HydrophobicContact CB-CD2 4.03Å; A336-F413 HydrophobicContact CB-CE2 3.68Å; W339-F413 HydrophobicContact CB-CB 4.21Å; L340-F413 HydrophobicContact CD1-CB 4.24Å; L340-F413 HydrophobicContact CD1-CD1 3.77Å; L340-F413 HydrophobicContact CD1-CD2 3.91Å; L340-F413 HydrophobicContact CD1-CE1 3.95Å; L340-F413 HydrophobicContact CD1-CE2 4.1Å; L340-F413 HydrophobicContact CD1-CG 3.72Å; L340-F413 HydrophobicContact CD1-CZ 4.09Å; L340-F413 HydrophobicContact CG-CB 4.25Å; L340-F413 HydrophobicContact CG-CG 4.26Å; L355-F413 HydrophobicContact CD2-CE2 4.33Å; L355-F413 HydrophobicContact CD2-CZ 4.14Å; I357-F413 HydrophobicContact CD1-CE1 3.87Å; I357-F413 HydrophobicContact CD1-CZ 3.69Å; A399-F413 HydrophobicContact CB-CE1 4.16Å; A399-F413 HydrophobicContact CB-CZ 4.16Å; I409-F413 PolarHBondContact O-N 2.79Å; I409-F413 VanDerWaalsContact O-N 3.08Å; D410-F413 PolarHBondContact O-N 3.44Å; F413-L416 HydrophobicContact CD1-CD2 4.25Å; F413-L416 HydrophobicContact CE1-CD2 4.46Å; F413-L416 PolarHBondContact O-N 3.36Å; F413-S417 VanDerWaalsContact O-CB 3.29Å; F413-S417 WeakPolarHBondContact O-CB 3.48Å; F413-S417 PolarHBondContact O-N 3.33Å
414K98.5Very high95.8Very high91 Ų9155.5 Ų55.540%0.39629%0.288SS..Hα-helixtrans-59.1-49.2168.4179.9-177.5168.1-1600111.7W339 D410 E411 S417 A418W339-K414 HydrophobicContact CD2-CB 3.8Å; W339-K414 HydrophobicContact CD2-CG 4.14Å; W339-K414 HydrophobicContact CE3-CB 4.19Å; W339-K414 HydrophobicContact CE3-CG 4.06Å; W339-K414 HydrophobicContact CG-CB 4.2Å; W339-K414 HydrophobicContact CH2-CB 4.36Å; W339-K414 HydrophobicContact CH2-CD 3.83Å; W339-K414 HydrophobicContact CH2-CG 3.78Å; W339-K414 HydrophobicContact CZ2-CB 3.95Å; W339-K414 HydrophobicContact CZ2-CD 3.75Å; W339-K414 HydrophobicContact CZ2-CG 3.83Å; W339-K414 HydrophobicContact CZ3-CB 4.46Å; W339-K414 HydrophobicContact CZ3-CD 4.43Å; W339-K414 HydrophobicContact CZ3-CG 3.89Å; D410-K414 WeakPolarHBondContact O-CB 3.43Å; D410-K414 PolarHBondContact O-N 3.05Å; E411-K414 PolarHBondContact O-N 3.1Å; E411-K414 IonicContact OE2-NZ 3.58Å; E411-K414 PolarHBondContact OE2-NZ 3.1Å; K414-S417 PolarHBondContact O-N 2.92Å; K414-A418 PolarHBondContact O-N 2.91Å; K414-A418 VanDerWaalsContact O-N 3.1Å
415R97.9Very high95.8Very high72 Ų7256 Ų5627%0.27229%0.287SS..Hα-helixtrans-64-42.9178-72.2167.7179.6-150.710.1112K376 E377 V378 E411 A412 A418 L419K376-R415 WeakPolarHBondContact O-CD 3.48Å; K376-R415 PolarHBondContact O-NH1 3.46Å; E377-R415 IonicContact OE2-CZ 2.7Å; E377-R415 IonicContact OE2-NH1 2.96Å; E377-R415 PolarHBondContact OE2-NH1 3.41Å; E377-R415 IonicContact OE2-NH2 2.89Å; E377-R415 PolarHBondContact OE2-NH2 3.41Å; V378-R415 HydrophobicContact CG2-CB 3.5Å; V378-R415 HydrophobicContact CG2-CG 4.21Å; E411-R415 WeakPolarHBondContact O-CB 3.2Å; E411-R415 WeakPolarHBondContact O-CD 3.45Å; E411-R415 VanDerWaalsContact O-CG 3.26Å; E411-R415 WeakPolarHBondContact O-CG 3.49Å; E411-R415 PolarHBondContact O-N 3.27Å; E411-R415 IonicContact OE1-CZ 3.51Å; E411-R415 IonicContact OE1-NE 3.87Å; E411-R415 PolarHBondContact OE1-NE 3.31Å; E411-R415 IonicContact OE1-NH2 2.72Å; A412-R415 PolarHBondContact O-N 3.47Å; R415-A418 PolarHBondContact O-N 3.24Å; R415-L419 WeakPolarHBondContact O-CB 3.19Å; R415-L419 PolarHBondContact O-N 3.47Å
416L97.5Very high95.6Very high2 Ų255.9 Ų55.91%0.0128%0.283CS..Hα-helixtrans-61.9-43.5175.6-178.861.5000111.8L340 I369 L380 A412 F413 A418 L419 I420L340-L416 HydrophobicContact CD1-CD2 4.29Å; L340-L416 HydrophobicContact CD2-CB 4.46Å; L340-L416 HydrophobicContact CD2-CD2 4.3Å; L340-L416 HydrophobicContact CD2-CG 4.3Å; I369-L416 HydrophobicContact CD1-CD1 4.17Å; L380-L416 HydrophobicContact CD1-CD1 4.07Å; L380-L416 HydrophobicContact CD1-CD2 4.04Å; L380-L416 HydrophobicContact CD2-CD2 4.22Å; A412-L416 WeakPolarHBondContact O-CB 3.41Å; A412-L416 PolarHBondContact O-N 3.03Å; F413-L416 HydrophobicContact CD1-CD2 4.25Å; F413-L416 HydrophobicContact CE1-CD2 4.46Å; F413-L416 PolarHBondContact O-N 3.36Å; L416-A418 PolarHBondContact O-N 3.48Å; L416-L419 PolarHBondContact O-N 2.96Å; L416-I420 HydrophobicContact CD1-CD1 4.11Å; L416-I420 HydrophobicContact CD1-CG1 4.3Å; L416-I420 HydrophobicContact CG-CD1 3.87Å; L416-I420 HydrophobicContact CG-CG1 4.49Å; L416-I420 VanDerWaalsContact O-CG1 3.29Å; L416-I420 WeakPolarHBondContact O-CG1 3.22Å; L416-I420 PolarHBondContact O-N 3.41Å
417S97.5Very high95.5Very high3 Ų356 Ų562%0.02128%0.28CS..Hα-helixtrans-59.2-47.3176.7-174.60000112W339 F413 K414 L419 I420 K421W339-S417 WeakPolarHBondContact O-CB 3.25Å; W339-S417 PolarHBondContact O-OG 3.28Å; F413-S417 VanDerWaalsContact O-CB 3.29Å; F413-S417 WeakPolarHBondContact O-CB 3.48Å; F413-S417 PolarHBondContact O-N 3.33Å; K414-S417 PolarHBondContact O-N 2.92Å; S417-L419 VanDerWaalsContact C-N 3.33Å; S417-L419 PolarHBondContact O-N 3.02Å; S417-I420 PolarHBondContact O-N 2.93Å; S417-K421 WeakPolarHBondContact O-CG 3.47Å; S417-K421 PolarHBondContact O-N 2.8Å
418A96.5Very high95.4Very high41 Ų4151.5 Ų51.534%0.33926%0.26SS..Hα-helixtrans-59.4-45.4176.700000111.3K414 R415 L416 I420 K421 E422K414-A418 PolarHBondContact O-N 2.91Å; K414-A418 VanDerWaalsContact O-N 3.1Å; R415-A418 PolarHBondContact O-N 3.24Å; L416-A418 PolarHBondContact O-N 3.48Å; A418-I420 PolarHBondContact O-N 3.17Å; A418-K421 PolarHBondContact O-N 3.31Å; A418-E422 WeakPolarHBondContact O-CG 3.38Å; A418-E422 PolarHBondContact O-N 3.05Å
419L95.7Very high95.2Very high2 Ų247.7 Ų47.71%0.0124%0.243CC..Hα-helixtrans-62.1-41.6178.6174.764.2000113.3L368 K372 A373 R415 L416 S417 E422 S423L368-L419 HydrophobicContact CD1-CD1 4.07Å; L368-L419 HydrophobicContact CD1-CD2 3.92Å; L368-L419 HydrophobicContact CD1-CG 3.72Å; L368-L419 HydrophobicContact CG-CD2 4.13Å; L368-L419 HydrophobicContact CG-CG 4.41Å; K372-L419 HydrophobicContact CB-CD1 3.47Å; K372-L419 VanDerWaalsContact CB-CD1 3.47Å; K372-L419 HydrophobicContact CB-CD2 4.14Å; K372-L419 HydrophobicContact CB-CG 4.41Å; K372-L419 HydrophobicContact CD-CD1 3.85Å; K372-L419 HydrophobicContact CG-CD1 4.35Å; A373-L419 HydrophobicContact CB-CD2 3.68Å; R415-L419 WeakPolarHBondContact O-CB 3.19Å; R415-L419 PolarHBondContact O-N 3.47Å; L416-L419 PolarHBondContact O-N 2.96Å; S417-L419 VanDerWaalsContact C-N 3.33Å; S417-L419 PolarHBondContact O-N 3.02Å; L419-E422 PolarHBondContact O-N 3.26Å; L419-S423 WeakPolarHBondContact O-CB 3.26Å; L419-S423 PolarHBondContact O-N 2.82Å; L419-S423 PolarHBondContact O-OG 2.75Å
420I95.1Very high95Very high0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-63.9-45.3177.3-65.5161.3000109.5L340 V343 V359 L368 L416 S417 A418 E422 S423 L424L340-I420 HydrophobicContact CD2-CD1 4.49Å; V343-I420 HydrophobicContact CB-CB 4.43Å; V343-I420 HydrophobicContact CB-CG2 3.84Å; V343-I420 HydrophobicContact CG1-CG2 4.39Å; V343-I420 HydrophobicContact CG2-CB 4.47Å; V343-I420 HydrophobicContact CG2-CD1 4.08Å; V343-I420 HydrophobicContact CG2-CG2 4.37Å; V359-I420 HydrophobicContact CG1-CB 4.45Å; V359-I420 HydrophobicContact CG1-CD1 3.83Å; V359-I420 HydrophobicContact CG1-CG1 3.81Å; V359-I420 HydrophobicContact CG1-CG2 3.73Å; V359-I420 HydrophobicContact CG2-CD1 4.27Å; L368-I420 HydrophobicContact CD2-CG1 4.25Å; L416-I420 HydrophobicContact CD1-CD1 4.11Å; L416-I420 HydrophobicContact CD1-CG1 4.3Å; L416-I420 HydrophobicContact CG-CD1 3.87Å; L416-I420 HydrophobicContact CG-CG1 4.49Å; L416-I420 VanDerWaalsContact O-CG1 3.29Å; L416-I420 WeakPolarHBondContact O-CG1 3.22Å; L416-I420 PolarHBondContact O-N 3.41Å; S417-I420 PolarHBondContact O-N 2.93Å; A418-I420 PolarHBondContact O-N 3.17Å; I420-E422 VanDerWaalsContact C-N 3.31Å; I420-E422 PolarHBondContact O-N 3.28Å; I420-S423 PolarHBondContact O-N 2.8Å; I420-L424 HydrophobicContact CG2-CD1 4.06Å; I420-L424 HydrophobicContact CG2-CG 4.33Å; I420-L424 WeakPolarHBondContact O-CG 3.24Å; I420-L424 PolarHBondContact O-N 2.65Å; I420-L424 VanDerWaalsContact O-N 3.13Å
421K94.5Very high94.7Very high115 Ų11551.1 Ų51.150%0.526%0.26SS..Hα-helixtrans-63.6-33177.8-68.6172.6-177.41750113.4V343 S417 A418 S423V343-K421 HydrophobicContact CG1-CG 3.89Å; S417-K421 WeakPolarHBondContact O-CG 3.47Å; S417-K421 PolarHBondContact O-N 2.8Å; A418-K421 PolarHBondContact O-N 3.31Å; K421-S423 PolarHBondContact O-N 3.07Å
422E92.1Very high94.4Very high116 Ų11650 Ų5054%0.54226%0.256SS..Hα-helixtrans-71.8-17.2173.4-72.9170.1-16200112.9K376 A418 L419 I420K376-E422 IonicContact NZ-OE1 2.96Å; K376-E422 PolarHBondContact NZ-OE1 2.87Å; K376-E422 IonicContact NZ-OE2 2.88Å; K376-E422 PolarHBondContact NZ-OE2 3.05Å; A418-E422 WeakPolarHBondContact O-CG 3.38Å; A418-E422 PolarHBondContact O-N 3.05Å; L419-E422 PolarHBondContact O-N 3.26Å; I420-E422 VanDerWaalsContact C-N 3.31Å; I420-E422 PolarHBondContact O-N 3.28Å
423S84Confident94.1Very high41 Ų4151.8 Ų51.829%0.28726%0.258SS..Hα-helixtrans-107.6-5.1-175.4-590000114.2L368 K372 L419 I420 K421L368-S423 WeakPolarHBondContact CD1-OG 3.03Å; K372-S423 PolarHBondContact NZ-OG 3.03Å; L419-S423 WeakPolarHBondContact O-CB 3.26Å; L419-S423 PolarHBondContact O-N 2.82Å; L419-S423 PolarHBondContact O-OG 2.75Å; I420-S423 PolarHBondContact O-N 2.8Å; K421-S423 PolarHBondContact O-N 3.07Å
424L81.4Confident93.7Very high134 Ų13456.1 Ų56.170%0.70228%0.28SS*.  trans-92.90168.5-66.9174.9000109.4I420I420-L424 HydrophobicContact CG2-CD1 4.06Å; I420-L424 HydrophobicContact CG2-CG 4.33Å; I420-L424 WeakPolarHBondContact O-CG 3.24Å; I420-L424 PolarHBondContact O-N 2.65Å; I420-L424 VanDerWaalsContact O-N 3.13Å

Retrieved 424 of 424 residues in 895.4 ms (Link to these results)

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