A0A093H7Q5_STRCA Loading...

ATP-sensitive inward rectifier potassium channel 8

AlphaFold DB , UniProt , Accession A0A093H7Q5, Species STRCA (Struthio camelus australis), Gene n/a, Length 421 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
1M39.8Very low42.3Very low248 Ų248158.8 Ų158.8100%1.22281%0.812SS**  0100.30-71-180-179.500107.8
2L31.8Very low43.1Very low179 Ų179157.8 Ų157.894%0.93779%0.792SS**  trans-89.8134.9-170.2-82.8157.6000111.4
3A33.8Very low43.9Very low96 Ų96152.4 Ų152.479%0.79377%0.772SS**  trans-64.3125.4179.700000112.3K5A3-K5 PolarHBondContact O-N 3.48Å
4R35.4Very low44.6Very low256 Ų256149.6 Ų149.697%0.96676%0.759SS**  trans-73.3109.6169.4-96.2-177.6177.1178.8-0.8109.5
5K40.9Very low45.2Very low184 Ų184143.9 Ų143.980%0.874%0.743SS**  trans-58.6128.4166.6-76.7173.6173.1176.20109.9A3 I7A3-K5 PolarHBondContact O-N 3.48Å; K5-I7 PolarHBondContact O-N 3.33Å; K5-I7 VanDerWaalsContact O-N 3.1Å
6S37.6Very low45.5Very low122 Ų122147.1 Ų147.185%0.85374%0.743SS**  trans-68.996.1167.555.70000109.5
7I47.7Very low45.9Very low138 Ų138143.6 Ų143.671%0.70873%0.726SS**PPolyproline II helixtrans-89.6120.3171.5-65164.3000106.8K5K5-I7 PolarHBondContact O-N 3.33Å; K5-I7 VanDerWaalsContact O-N 3.1Å
8I52.9Low46.2Very low136 Ų136139.4 Ų139.470%0.69772%0.717SS**PPolyproline II helixtrans-61125.8165.6-61.5164.5000106.3E10I8-E10 PolarHBondContact O-N 2.98Å
9P45.2Very low46.7Very low76 Ų76136.1 Ų136.149%0.49471%0.712SS.*PPolyproline II helixtrans-60.3125.6-179.4-19.730.2000110.4E11 Y12P9-E11 PolarHBondContact O-N 3.38Å; P9-Y12 PolarHBondContact O-N 2.88Å
10E49.6Very low46.8Very low151 Ų151136.9 Ų136.971%0.70671%0.712SS**THydrogen-bonded Turntrans-55.6-17.4177.4-72.1-151.6152.800113.7I8 Y12 V13 L14I8-E10 PolarHBondContact O-N 2.98Å; E10-Y12 PolarHBondContact O-N 3.16Å; E10-V13 PolarHBondContact O-N 2.94Å; E10-L14 PolarHBondContact O-N 3.48Å; E10-L14 VanDerWaalsContact O-N 3.15Å
11E50.6Low46.6Very low161 Ų161136.4 Ų136.475%0.75271%0.711SS**Hα-helixtrans-57.8-29.7173.4-64.3-167.7157.800113.2P9 A15P9-E11 PolarHBondContact O-N 3.38Å; E11-A15 VanDerWaalsContact O-CB 3.26Å; E11-A15 WeakPolarHBondContact O-CB 3.5Å; E11-A15 PolarHBondContact O-N 3.22Å
12Y52.1Low47.1Very low147 Ų147131.7 Ų131.758%0.57669%0.69SS**Hα-helixtrans-71.3-30.3176-103.2-91.9000113.1P9 E10 R16P9-Y12 PolarHBondContact O-N 2.88Å; E10-Y12 PolarHBondContact O-N 3.16Å; Y12-R16 PolarHBondContact O-N 2.6Å
13V53.4Low47.8Very low87 Ų87135 Ų13553%0.52769%0.69SS.*Hα-helixtrans-77.9-43.8178.5-179.20000109.7E10 R16 I17E10-V13 PolarHBondContact O-N 2.94Å; V13-R16 WeakPolarHBondContact O-CB 3.14Å; V13-R16 PolarHBondContact O-N 3.47Å; V13-I17 HydrophobicContact CG1-CD1 4.01Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 2.92Å; V13-I17 VanDerWaalsContact O-N 3.09Å
14L53.2Low48.3Very low113 Ų113139.2 Ų139.259%0.59269%0.69SS**Hα-helixtrans-67.3-38.3178.7-87.4155.5000112.9E10 R16 I17 A18E10-L14 PolarHBondContact O-N 3.48Å; E10-L14 VanDerWaalsContact O-N 3.15Å; L14-R16 VanDerWaalsContact C-N 3.25Å; L14-R16 PolarHBondContact O-N 3.2Å; L14-I17 PolarHBondContact O-N 3.06Å; L14-A18 VanDerWaalsContact O-CB 3.28Å; L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 2.84Å
15A54.5Low48.5Very low64 Ų64132.2 Ų132.253%0.52968%0.678SS.*Hα-helixtrans-63.8-32.4173.400000112.4E11 A19E11-A15 VanDerWaalsContact O-CB 3.26Å; E11-A15 WeakPolarHBondContact O-CB 3.5Å; E11-A15 PolarHBondContact O-N 3.22Å; A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 2.92Å; A15-A19 VanDerWaalsContact O-N 3.16Å
16R48.8Very low48.8Very low196 Ų196135.6 Ų135.674%0.7469%0.686SS**Hα-helixtrans-70.4-40.2176.6-159.8179.5-172.7-172.52.5112Y12 V13 L14Y12-R16 PolarHBondContact O-N 2.6Å; V13-R16 WeakPolarHBondContact O-CB 3.14Å; V13-R16 PolarHBondContact O-N 3.47Å; L14-R16 VanDerWaalsContact C-N 3.25Å; L14-R16 PolarHBondContact O-N 3.2Å
17I52.4Low49.5Very low87 Ų87136.7 Ų136.745%0.44668%0.68SS.*Hα-helixtrans-74.8-37.8178.3-63.6168.4000111.3V13 L14 A19 E20V13-I17 HydrophobicContact CG1-CD1 4.01Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 2.92Å; V13-I17 VanDerWaalsContact O-N 3.09Å; L14-I17 PolarHBondContact O-N 3.06Å; I17-A19 VanDerWaalsContact C-N 3.33Å; I17-A19 PolarHBondContact O-N 3.05Å; I17-E20 PolarHBondContact O-N 3.29Å
18A51.1Low49.3Very low68 Ų68141.5 Ų141.556%0.56269%0.69SS**Hα-helixtrans-68.7-31.1177.900000112.6L14 E20L14-A18 VanDerWaalsContact O-CB 3.28Å; L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 2.84Å; A18-E20 VanDerWaalsContact C-N 3.31Å; A18-E20 PolarHBondContact O-N 2.83Å
19A55.6Low49Very low77 Ų77142 Ų14264%0.63669%0.694SS**Hα-helixtrans-72.8-19.2174.800000113.9A15 I17A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 2.92Å; A15-A19 VanDerWaalsContact O-N 3.16Å; I17-A19 VanDerWaalsContact C-N 3.33Å; I17-A19 PolarHBondContact O-N 3.05Å
20E50.1Low49.4Very low151 Ų151146.2 Ų146.271%0.70670%0.7SS**Hα-helixtrans-80.4-18178.5-86.7-178.4154.400113.8I17 A18I17-E20 PolarHBondContact O-N 3.29Å; A18-E20 VanDerWaalsContact C-N 3.31Å; A18-E20 PolarHBondContact O-N 2.83Å
21N41.1Very low49.5Very low127 Ų127144.6 Ų144.668%0.67970%0.703SS**  trans-100.35.6-169.8-79.7-41.7000116.7R23N21-R23 PolarHBondContact O-N 3.18Å
22L51.8Low49.9Very low150 Ų150148.1 Ų148.179%0.78571%0.709SS**  trans-78.692.9168.3-84.8158.4000109.7K24L22-K24 PolarHBondContact O-N 2.75Å
23R45.2Very low50.8Low248 Ų248147.9 Ų147.994%0.93671%0.711SS**  trans-52.196.4169.3-77.2-179.3175.8171.9-0.2110N21N21-R23 PolarHBondContact O-N 3.18Å
24K46Very low51.8Low184 Ų184148.7 Ų148.780%0.873%0.727SS**  trans-68.7141.1166.5-77177.5178.3175.50109L22 R26L22-K24 PolarHBondContact O-N 2.75Å; K24-R26 PolarHBondContact O-N 2.54Å
25P39.3Very low53.4Low110 Ų110145.5 Ų145.571%0.71471%0.707SS**  trans-58.5132.4172.924.4-31.4000109.1I27P25-I27 VanDerWaalsContact C-N 3.27Å; P25-I27 PolarHBondContact O-N 3.43Å
26R46.8Very low55.1Low254 Ų254144.1 Ų144.196%0.95869%0.689SS**  trans-61.487.4176.6-88.5178.7165.1151.2-5109.6K24 R28K24-R26 PolarHBondContact O-N 2.54Å; R26-R28 PolarHBondContact O-N 3.34Å
27I52.8Low57.1Low145 Ų145135.2 Ų135.274%0.74466%0.656SS**  trans-70.1122.8159.3-63.4171.7000105.3P25 D29P25-I27 VanDerWaalsContact C-N 3.27Å; P25-I27 PolarHBondContact O-N 3.43Å; I27-D29 PolarHBondContact O-N 2.93Å
28R42.9Very low59Low239 Ų239132 Ų13290%0.90264%0.643SS**  trans-37.6106.2174.9-161.9175.5-179.9-177.1-0.4110R26 R30R26-R28 PolarHBondContact O-N 3.34Å; R28-R30 PolarHBondContact O-N 3.18Å
29D46.2Very low60.8Low147 Ų147131.6 Ų131.679%0.78663%0.628SS**  trans-59.3110.3-179.1-80.2-45.8000108.3I27I27-D29 PolarHBondContact O-N 2.93Å
30R53.3Low62.3Low164 Ų164134.1 Ų134.162%0.61963%0.631SS**  trans-52.6137.5157.8-80.3177.3171.9175.7-4.8106.3R28 R32R28-R30 PolarHBondContact O-N 3.18Å; R30-R32 PolarHBondContact O-N 3.5Å
31P51.7Low64Low118 Ų118127.4 Ų127.477%0.76660%0.602SS**  trans-52.6120.517422.6-31.8000107.5K33P31-K33 PolarHBondContact O-N 3.42Å
32R60Low66.2Low235 Ų235123.5 Ų123.589%0.88759%0.588SS**  trans-56.9105.8-178.8-78.7-178.7167.8173.1-1.9107.4R30 A34R30-R32 PolarHBondContact O-N 3.5Å; R32-A34 PolarHBondContact O-N 3.21Å
33K69.8Low68Low141 Ų141119.4 Ų119.461%0.61357%0.571SS**PPolyproline II helixtrans-56.6138.1177.4-67.8-172.9-178.7-174.60108.4P31 R35 D286P31-K33 PolarHBondContact O-N 3.42Å; K33-R35 PolarHBondContact O-N 3.28Å; K33-D286 VanDerWaalsContact CD-OD1 3.26Å; K33-D286 WeakPolarHBondContact CD-OD1 3.08Å; K33-D286 WeakPolarHBondContact CE-OD1 3.44Å; K33-D286 IonicContact NZ-OD1 2.75Å; K33-D286 PolarHBondContact NZ-OD1 2.85Å; K33-D286 IonicContact NZ-OD2 2.98Å; K33-D286 PolarHBondContact NZ-OD2 2.96Å
34A75.2Confident70Confident105 Ų105112 Ų11287%0.86855%0.55SS*.PPolyproline II helixtrans-62.4124.3177.800000108.6R32R32-A34 PolarHBondContact O-N 3.21Å
35R87.3Confident71.9Confident46 Ų46107.2 Ų107.217%0.17453%0.532CS..PPolyproline II helixtrans-92.4137.4177.7-177.8-166.9-66.8-133.24.6108.8K33 I37 N44 E288 S309 I311 E314K33-R35 PolarHBondContact O-N 3.28Å; R35-I37 WeakPolarHBondContact CD-O 3.02Å; R35-I37 VanDerWaalsContact CG-O 3.22Å; R35-I37 WeakPolarHBondContact CG-O 3.33Å; R35-N44 VanDerWaalsContact O-CB 3.23Å; R35-N44 WeakPolarHBondContact O-CB 3.42Å; R35-N44 PolarHBondContact O-ND2 3.27Å; R35-E288 WeakPolarHBondContact CG-OE1 3.29Å; R35-S309 WeakPolarHBondContact CD-OG 3.43Å; R35-S309 PolarHBondContact NH1-O 3.15Å; R35-S309 PolarHBondContact NH1-OG 3.1Å; R35-I311 HydrophobicContact CG-CG2 4.06Å; R35-E314 IonicContact CZ-OE1 2.72Å; R35-E314 IonicContact CZ-OE2 3.64Å; R35-E314 IonicContact NH1-OE1 3.34Å; R35-E314 IonicContact NH1-OE2 3.35Å; R35-E314 PolarHBondContact NH1-OE2 2.74Å; R35-E314 VanDerWaalsContact NH1-OE2 3.16Å; R35-E314 VanDerWaalsContact NH2-CD 3.26Å; R35-E314 IonicContact NH2-OE1 3.5Å; R35-E314 PolarHBondContact NH2-OE1 3Å; R35-E314 IonicContact NH2-OE2 2.93Å; R35-E314 PolarHBondContact NH2-OE2 3.15Å
36F89.1Confident74Confident35 Ų35106 Ų10615%0.15453%0.532CS..SBendtrans-68.5-46.5-178.4-172.9-104.9000112.5N44 L45 I240 E288 I290F36-N44 PolarHBondContact O-N 3.41Å; F36-L45 HydrophobicContact CD2-CD1 4.37Å; F36-L45 HydrophobicContact CD2-CD2 3.86Å; F36-L45 HydrophobicContact CD2-CG 4.26Å; F36-L45 HydrophobicContact CE2-CD1 3.57Å; F36-L45 HydrophobicContact CE2-CD2 3.61Å; F36-L45 HydrophobicContact CE2-CG 3.91Å; F36-L45 HydrophobicContact CZ-CD1 3.7Å; F36-L45 HydrophobicContact CZ-CG 4.45Å; F36-I240 HydrophobicContact CD2-CD1 4.06Å; F36-I240 HydrophobicContact CD2-CG2 4.37Å; F36-I240 HydrophobicContact CE2-CD1 3.83Å; F36-I240 HydrophobicContact CE2-CG2 3.99Å; F36-I240 HydrophobicContact CZ-CG2 4.37Å; F36-E288 WeakPolarHBondContact CB-OE2 3.29Å; F36-E288 PolarHBondContact N-OE1 3.4Å; F36-E288 PolarHBondContact N-OE2 2.94Å; F36-I290 HydrophobicContact CD1-CD1 3.5Å; F36-I290 VanDerWaalsContact CD1-CD1 3.5Å; F36-I290 HydrophobicContact CE1-CD1 3.83Å
37I92.2Very high75.7Confident8 Ų8101.1 Ų101.14%0.04152%0.52CS..BIsolated β-bridgetrans-122.8126.4175.5-73170.5000109.6R35 A42 E288 I290 S309R35-I37 WeakPolarHBondContact CD-O 3.02Å; R35-I37 VanDerWaalsContact CG-O 3.22Å; R35-I37 WeakPolarHBondContact CG-O 3.33Å; I37-A42 CarbonylContact C-O 3.5Å; I37-E288 PolarHBondContact N-OE1 3.48Å; I37-I290 HydrophobicContact CD1-CB 4.37Å; I37-I290 HydrophobicContact CD1-CD1 3.71Å; I37-I290 HydrophobicContact CD1-CG1 3.95Å; I37-I290 HydrophobicContact CD1-CG2 3.51Å; I37-I290 HydrophobicContact CG1-CD1 4.47Å; I37-S309 PolarHBondContact O-OG 2.91Å
38A91.1Very high77.2Confident20 Ų20103 Ų10317%0.16552%0.522CS..  trans-66.7160.3175.300000112.7N40 G41 A42A38-N40 WeakPolarHBondContact CB-OD1 3.41Å; A38-N40 PolarHBondContact O-N 3.27Å; A38-N40 VanDerWaalsContact O-N 3.09Å; A38-G41 PolarHBondContact O-N 3.22Å; A38-A42 HydrophobicContact CB-CB 4.41Å; A38-A42 PolarHBondContact N-O 3.21Å
39K90Very high79.2Confident60 Ų6099.4 Ų99.426%0.26152%0.521SS..THydrogen-bonded Turntrans-56.2-28.8179.2-85-57.6-169.4-165.30114.4R192 T308 S309 E314K39-R192 VanDerWaalsContact CE-O 3.26Å; K39-R192 WeakPolarHBondContact CE-O 3.49Å; K39-R192 PolarHBondContact NZ-O 3.04Å; K39-T308 PolarHBondContact O-OG1 3.08Å; K39-S309 WeakPolarHBondContact CD-O 3.23Å; K39-S309 WeakPolarHBondContact CE-O 3.42Å; K39-S309 PolarHBondContact NZ-O 3.3Å; K39-E314 WeakPolarHBondContact CE-OE1 3.35Å; K39-E314 WeakPolarHBondContact CE-OE2 3.35Å; K39-E314 IonicContact NZ-OE1 3.77Å; K39-E314 IonicContact NZ-OE2 3.96Å; K39-E314 PolarHBondContact NZ-OE2 3.43Å
40N86Confident80.8Confident130 Ų13096.1 Ų96.170%0.69550%0.502SS*.THydrogen-bonded Turntrans-81.62.3176.665.3-11.7000113.4A38 A42A38-N40 WeakPolarHBondContact CB-OD1 3.41Å; A38-N40 PolarHBondContact O-N 3.27Å; A38-N40 VanDerWaalsContact O-N 3.09Å; N40-A42 WeakPolarHBondContact OD1-CB 3.44Å; N40-A42 PolarHBondContact OD1-N 3.32Å
41G86.7Confident81.9Confident9 Ų999.2 Ų99.29%0.09351%0.514CS..SBendtrans86.11.3179.200000115.5A38 R307A38-G41 PolarHBondContact O-N 3.22Å; G41-R307 WeakPolarHBondContact CA-O 3.43Å; G41-R307 PolarHBondContact N-O 3.41Å
42A87.3Confident83.1Confident46 Ų4697.7 Ų97.738%0.3850%0.497SS..  trans-73.6133.917500000111I37 A38 N40I37-A42 CarbonylContact C-O 3.5Å; A38-A42 HydrophobicContact CB-CB 4.41Å; A38-A42 PolarHBondContact N-O 3.21Å; N40-A42 WeakPolarHBondContact OD1-CB 3.44Å; N40-A42 PolarHBondContact OD1-N 3.32Å
43C88.4Confident83.6Confident63 Ų6393.5 Ų93.543%0.42649%0.487SS..BIsolated β-bridgetrans-81.6125.5178-57.50000110.3L45C43-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact O-N 3.13Å
44N87.6Confident83.7Confident93 Ų9388.9 Ų88.950%0.49748%0.479SS..  trans-9057.2176.5-67-31.1000110.5R35 F36R35-N44 VanDerWaalsContact O-CB 3.23Å; R35-N44 WeakPolarHBondContact O-CB 3.42Å; R35-N44 PolarHBondContact O-ND2 3.27Å; F36-N44 PolarHBondContact O-N 3.41Å
45L86.1Confident83.8Confident83 Ų8390.7 Ų90.744%0.43546%0.464SS..  trans-117120.5177.9-69.8174.8000109.8F36 C43F36-L45 HydrophobicContact CD2-CD1 4.37Å; F36-L45 HydrophobicContact CD2-CD2 3.86Å; F36-L45 HydrophobicContact CD2-CG 4.26Å; F36-L45 HydrophobicContact CE2-CD1 3.57Å; F36-L45 HydrophobicContact CE2-CD2 3.61Å; F36-L45 HydrophobicContact CE2-CG 3.91Å; F36-L45 HydrophobicContact CZ-CD1 3.7Å; F36-L45 HydrophobicContact CZ-CG 4.45Å; C43-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact O-N 3.13Å
46A83.8Confident83.1Confident85 Ų8594.3 Ų94.370%0.70248%0.481SS*.  trans-100.4108.8171.700000108.6K48A46-K48 PolarHBondContact O-N 3.4Å
47H82.3Confident82.4Confident152 Ų15299 Ų9970%0.70451%0.507SS*.  trans-70.9124.5171.6-5693.4000109I50H47-I50 HydrophobicContact CB-CD1 3.65Å; H47-I50 HydrophobicContact CB-CG1 4.25Å
48K84.8Confident81.9Confident184 Ų184106.6 Ų106.680%0.854%0.542SS*.  trans-117.2146.8176.2-68-175178.5-178.20109.5A46A46-K48 PolarHBondContact O-N 3.4Å
49N83.6Confident81.7Confident163 Ų163109.2 Ų109.287%0.87255%0.554SS**  trans58.751.5175.4-161.620.3000114.9R51N49-R51 PolarHBondContact O-N 2.96Å
50I80.4Confident81.5Confident78 Ų78112.2 Ų112.240%0.457%0.571SS.*  trans-81.7110170.7-61.2164.3000108.4H47 E52H47-I50 HydrophobicContact CB-CD1 3.65Å; H47-I50 HydrophobicContact CB-CG1 4.25Å; I50-E52 VanDerWaalsContact C-N 3.27Å; I50-E52 PolarHBondContact O-N 3.14Å
51R76.6Confident81.4Confident230 Ų230110.3 Ų110.387%0.86856%0.557SS**SBendtrans-70.3-18.5-177.3-164.2169.272.8178.42.8114.2N49N49-R51 PolarHBondContact O-N 2.96Å
52E75.9Confident81.5Confident85 Ų85112.6 Ų112.640%0.39757%0.569SS.*  trans-120.963-171.6-67.9-178.6-119.100112.6I50 G54 R55I50-E52 VanDerWaalsContact C-N 3.27Å; I50-E52 PolarHBondContact O-N 3.14Å; E52-G54 PolarHBondContact O-N 3.44Å; E52-R55 HydrophobicContact CB-CG 4.48Å; E52-R55 PolarHBondContact O-N 3.29Å; E52-R55 IonicContact OE1-CZ 3.73Å; E52-R55 IonicContact OE1-NH1 3.81Å; E52-R55 IonicContact OE1-NH2 2.99Å; E52-R55 PolarHBondContact OE1-NH2 3.06Å; E52-R55 IonicContact OE2-CZ 2.7Å; E52-R55 IonicContact OE2-NE 3.58Å; E52-R55 PolarHBondContact OE2-NE 2.97Å; E52-R55 VanDerWaalsContact OE2-NE 3.1Å; E52-R55 IonicContact OE2-NH1 3.78Å; E52-R55 PolarHBondContact OE2-NH1 3.42Å; E52-R55 IonicContact OE2-NH2 2.99Å; E52-R55 PolarHBondContact OE2-NH2 3.05Å
53Q70.7Confident81.5Confident148 Ų148112.4 Ų112.469%0.69256%0.563SS**THydrogen-bonded Turntrans-65.2-23.6176.2-66.2-180-23.300112.9R55 F56Q53-R55 PolarHBondContact O-N 3.45Å; Q53-F56 PolarHBondContact O-N 3.36Å
54G71.7Confident81.5Confident43 Ų43110.7 Ų110.744%0.44355%0.55SS..Hα-helixtrans-63.7-23.3179.500000114.7E52 F56 L57 Q58E52-G54 PolarHBondContact O-N 3.44Å; G54-F56 VanDerWaalsContact C-N 3.26Å; G54-F56 PolarHBondContact O-N 3.07Å; G54-L57 PolarHBondContact O-N 3.05Å; G54-L57 VanDerWaalsContact O-N 3.09Å; G54-Q58 PolarHBondContact O-N 3.44Å
55R77.9Confident81.6Confident143 Ų143106.5 Ų106.554%0.5453%0.527SS..Hα-helixtrans-63.4-31.3176.3-74-166.4-77.6-141-10.6112.7E52 Q53 L57 Q58E52-R55 HydrophobicContact CB-CG 4.48Å; E52-R55 PolarHBondContact O-N 3.29Å; E52-R55 IonicContact OE1-CZ 3.73Å; E52-R55 IonicContact OE1-NH1 3.81Å; E52-R55 IonicContact OE1-NH2 2.99Å; E52-R55 PolarHBondContact OE1-NH2 3.06Å; E52-R55 IonicContact OE2-CZ 2.7Å; E52-R55 IonicContact OE2-NE 3.58Å; E52-R55 PolarHBondContact OE2-NE 2.97Å; E52-R55 VanDerWaalsContact OE2-NE 3.1Å; E52-R55 IonicContact OE2-NH1 3.78Å; E52-R55 PolarHBondContact OE2-NH1 3.42Å; E52-R55 IonicContact OE2-NH2 2.99Å; E52-R55 PolarHBondContact OE2-NH2 3.05Å; Q53-R55 PolarHBondContact O-N 3.45Å; R55-L57 VanDerWaalsContact C-N 3.28Å; R55-L57 PolarHBondContact O-N 3.06Å; R55-Q58 PolarHBondContact O-N 3.13Å
56F72Confident81.7Confident123 Ų123108 Ų10854%0.53954%0.536SS..Hα-helixtrans-67.8-29.7175.1-65.1-74.5000112.4Q53 G54 T63Q53-F56 PolarHBondContact O-N 3.36Å; G54-F56 VanDerWaalsContact C-N 3.26Å; G54-F56 PolarHBondContact O-N 3.07Å; F56-T63 HydrophobicContact CB-CG2 4.44Å; F56-T63 VanDerWaalsContact O-CG2 3.24Å; F56-T63 WeakPolarHBondContact O-CG2 3.38Å
57L75.1Confident82Confident134 Ų134107.3 Ų107.370%0.70252%0.52SS*.Hα-helixtrans-80-24.4178.7-64.6175.8000112.9G54 R55 D59G54-L57 PolarHBondContact O-N 3.05Å; G54-L57 VanDerWaalsContact O-N 3.09Å; R55-L57 VanDerWaalsContact C-N 3.28Å; R55-L57 PolarHBondContact O-N 3.06Å; L57-D59 VanDerWaalsContact C-N 3.28Å
58Q81.9Confident82.4Confident166 Ų166107.6 Ų107.678%0.77652%0.519SS*.Hα-helixtrans-67.6-32175.1-71.4177.7-16.600111.7G54 R55 I60G54-Q58 PolarHBondContact O-N 3.44Å; R55-Q58 PolarHBondContact O-N 3.13Å; Q58-I60 PolarHBondContact O-N 3.08Å
59D86.6Confident82.7Confident76 Ų76104.1 Ų104.141%0.40650%0.501SS..  trans-101.364.8174.8-164.5-0.7000111.5L57 F61 T62 T63L57-D59 VanDerWaalsContact C-N 3.28Å; D59-F61 PolarHBondContact O-N 2.97Å; D59-T62 PolarHBondContact O-OG1 2.99Å; D59-T62 WeakPolarHBondContact OD1-CG2 3.47Å; D59-T62 PolarHBondContact OD1-N 3.04Å; D59-T62 PolarHBondContact OD1-OG1 2.64Å; D59-T62 VanDerWaalsContact OD1-OG1 3.11Å; D59-T62 WeakPolarHBondContact OD2-CB 3.36Å; D59-T62 WeakPolarHBondContact OD2-CG2 3.4Å; D59-T62 PolarHBondContact OD2-OG1 3.47Å; D59-T63 WeakPolarHBondContact O-CG2 3.35Å; D59-T63 PolarHBondContact O-N 3Å; D59-T63 PolarHBondContact O-OG1 3.25Å
60I85.5Confident83.1Confident123 Ų123106.4 Ų106.463%0.63150%0.498SS*.Hα-helixtrans-65.7-27-176-154.2163.8000112.4Q58 T63 L64Q58-I60 PolarHBondContact O-N 3.08Å; I60-T63 VanDerWaalsContact C-OG1 3.31Å; I60-T63 VanDerWaalsContact CA-OG1 3.25Å; I60-T63 WeakPolarHBondContact CA-OG1 3.4Å; I60-T63 PolarHBondContact O-OG1 3.05Å; I60-L64 VanDerWaalsContact O-CB 3.27Å; I60-L64 WeakPolarHBondContact O-CB 3.48Å; I60-L64 PolarHBondContact O-N 3.03Å; I60-L64 VanDerWaalsContact O-N 3.08Å
61F85.6Confident83.7Confident89 Ų89107.7 Ų107.739%0.3950%0.502SS..Hα-helixtrans-72.5-51.2-177.9-176.2-95.1000111.1D59 T63 L64 V65 C173D59-F61 PolarHBondContact O-N 2.97Å; F61-T63 VanDerWaalsContact C-N 3.34Å; F61-T63 PolarHBondContact O-N 2.86Å; F61-L64 PolarHBondContact O-N 3.33Å; F61-V65 HydrophobicContact CE1-CG2 4.28Å; F61-V65 HydrophobicContact CZ-CG2 4.44Å; F61-V65 WeakPolarHBondContact O-CG2 3.47Å; F61-V65 PolarHBondContact O-N 3.42Å; F61-C173 WeakPolarHBondContact CE2-SG 3.17Å
62T87Confident84.4Confident57 Ų5796.9 Ų96.935%0.3546%0.461SS..Hα-helixtrans-65.9-40.317963.80000111.1D59 L64 V65 D66D59-T62 PolarHBondContact O-OG1 2.99Å; D59-T62 WeakPolarHBondContact OD1-CG2 3.47Å; D59-T62 PolarHBondContact OD1-N 3.04Å; D59-T62 PolarHBondContact OD1-OG1 2.64Å; D59-T62 VanDerWaalsContact OD1-OG1 3.11Å; D59-T62 WeakPolarHBondContact OD2-CB 3.36Å; D59-T62 WeakPolarHBondContact OD2-CG2 3.4Å; D59-T62 PolarHBondContact OD2-OG1 3.47Å; T62-L64 PolarHBondContact O-N 2.99Å; T62-V65 PolarHBondContact O-N 3.23Å; T62-V65 VanDerWaalsContact O-N 3.17Å; T62-D66 WeakPolarHBondContact O-CB 3.37Å; T62-D66 PolarHBondContact O-N 3.42Å
63T88.8Confident85.2Confident43 Ų4397.4 Ų97.426%0.26447%0.466SS..Hα-helixtrans-61.3-41.6177.550.30000112.5F56 D59 I60 F61 V65 D66 L67F56-T63 HydrophobicContact CB-CG2 4.44Å; F56-T63 VanDerWaalsContact O-CG2 3.24Å; F56-T63 WeakPolarHBondContact O-CG2 3.38Å; D59-T63 WeakPolarHBondContact O-CG2 3.35Å; D59-T63 PolarHBondContact O-N 3Å; D59-T63 PolarHBondContact O-OG1 3.25Å; I60-T63 VanDerWaalsContact C-OG1 3.31Å; I60-T63 VanDerWaalsContact CA-OG1 3.25Å; I60-T63 WeakPolarHBondContact CA-OG1 3.4Å; I60-T63 PolarHBondContact O-OG1 3.05Å; F61-T63 VanDerWaalsContact C-N 3.34Å; F61-T63 PolarHBondContact O-N 2.86Å; T63-V65 VanDerWaalsContact C-N 3.3Å; T63-V65 PolarHBondContact O-N 3.5Å; T63-D66 PolarHBondContact O-N 2.98Å; T63-L67 VanDerWaalsContact O-CG 3.32Å; T63-L67 WeakPolarHBondContact O-CG 3.36Å; T63-L67 PolarHBondContact O-N 3.26Å
64L88.7Confident86.3Confident26 Ų2694.3 Ų94.314%0.13646%0.457CS..Hα-helixtrans-64.7-36.1177-172.660.9000112.6I60 F61 T62 L67 T72 I75 F76 C173I60-L64 VanDerWaalsContact O-CB 3.27Å; I60-L64 WeakPolarHBondContact O-CB 3.48Å; I60-L64 PolarHBondContact O-N 3.03Å; I60-L64 VanDerWaalsContact O-N 3.08Å; F61-L64 PolarHBondContact O-N 3.33Å; T62-L64 PolarHBondContact O-N 2.99Å; L64-L67 HydrophobicContact CD1-CD1 4.36Å; L64-T72 PolarHBondContact O-OG1 2.93Å; L64-I75 HydrophobicContact CD1-CB 4.21Å; L64-I75 HydrophobicContact CD1-CD1 3.77Å; L64-I75 HydrophobicContact CD1-CG2 3.86Å; L64-F76 HydrophobicContact CD2-CE1 3.71Å; L64-F76 HydrophobicContact CD2-CZ 4.21Å; L64-F76 HydrophobicContact CG-CE1 4.37Å; L64-C173 HydrophobicContact CD2-CB 4.49Å
65V89.4Confident87.4Confident5 Ų595.9 Ų95.93%0.0346%0.455CS..Hα-helixtrans-71-36.3176.2177.60000111.2F61 T62 T63 M176 K177 Q180F61-V65 HydrophobicContact CE1-CG2 4.28Å; F61-V65 HydrophobicContact CZ-CG2 4.44Å; F61-V65 WeakPolarHBondContact O-CG2 3.47Å; F61-V65 PolarHBondContact O-N 3.42Å; T62-V65 PolarHBondContact O-N 3.23Å; T62-V65 VanDerWaalsContact O-N 3.17Å; T63-V65 VanDerWaalsContact C-N 3.3Å; T63-V65 PolarHBondContact O-N 3.5Å; V65-M176 HydrophobicContact CG1-CG 4Å; V65-M176 HydrophobicContact CG2-CB 4.35Å; V65-M176 HydrophobicContact CG2-CG 4.21Å; V65-K177 HydrophobicContact CG1-CB 4.29Å; V65-K177 PolarHBondContact O-NZ 2.97Å; V65-Q180 HydrophobicContact CG1-CG 4.31Å; V65-Q180 VanDerWaalsContact CG1-NE2 3.25Å
66D87.8Confident88.1Confident116 Ų11689.6 Ų89.662%0.6243%0.431SS*.Hα-helixtrans-81.4-19-178.5-76.3-9.5000114.3T62 T63 Q180T62-D66 WeakPolarHBondContact O-CB 3.37Å; T62-D66 PolarHBondContact O-N 3.42Å; T63-D66 PolarHBondContact O-N 2.98Å; D66-Q180 PolarHBondContact OD1-NE2 3.14Å
67L89.8Confident89.1Confident69 Ų6987.3 Ų87.336%0.36143%0.427SS..SBendtrans-56.9156.8174.7-81.2173.9000112.1T63 L64 H71 I75 K177T63-L67 VanDerWaalsContact O-CG 3.32Å; T63-L67 WeakPolarHBondContact O-CG 3.36Å; T63-L67 PolarHBondContact O-N 3.26Å; L64-L67 HydrophobicContact CD1-CD1 4.36Å; L67-H71 HydrophobicContact CB-CB 4.29Å; L67-H71 HydrophobicContact CD1-CB 4.37Å; L67-H71 HydrophobicContact CD2-CB 4.39Å; L67-I75 HydrophobicContact CD1-CD1 3.52Å; L67-K177 PolarHBondContact O-NZ 2.75Å
68K90.8Very high90.1Very high159 Ų15985.8 Ų85.869%0.69142%0.418SS*.  trans-66.4149.6173.6-63.3176.7-178.7170.90110.3R70 H71 T72K68-R70 PolarHBondContact O-N 2.88Å; K68-H71 PolarHBondContact O-N 2.62Å; K68-T72 PolarHBondContact O-N 2.95Å; K68-T72 PolarHBondContact O-OG1 3.44Å
69W90.2Very high90.7Very high110 Ų11080.3 Ų80.342%0.41740%0.398SS..Hα-helixtrans-46.4-39.3177.5-83.3101.3000114.1H71 T72 L73 K177 T178W69-H71 PolarHBondContact O-N 3.29Å; W69-T72 PolarHBondContact O-N 3.01Å; W69-L73 WeakPolarHBondContact O-CB 3.4Å; W69-L73 VanDerWaalsContact O-CG 3.3Å; W69-L73 WeakPolarHBondContact O-CG 3.31Å; W69-L73 PolarHBondContact O-N 2.79Å; W69-K177 HydrophobicContact CD2-CD 3.89Å; W69-K177 HydrophobicContact CE3-CD 3.94Å; W69-K177 HydrophobicContact CH2-CB 4.35Å; W69-K177 HydrophobicContact CH2-CD 3.76Å; W69-K177 HydrophobicContact CH2-CG 4.06Å; W69-K177 HydrophobicContact CZ2-CB 4.32Å; W69-K177 HydrophobicContact CZ2-CD 3.71Å; W69-K177 HydrophobicContact CZ2-CG 3.69Å; W69-K177 HydrophobicContact CZ3-CD 3.88Å; W69-T178 HydrophobicContact CH2-CG2 3.64Å; W69-T178 HydrophobicContact CZ2-CG2 3.97Å
70R93.4Very high91Very high212 Ų21278.7 Ų78.780%0.839%0.388SS*.Hα-helixtrans-59.6-45.5177.1-64.2-175.8-177.8175.4-0.2112.6K68 V74K68-R70 PolarHBondContact O-N 2.88Å; R70-V74 VanDerWaalsContact O-CG2 3.3Å; R70-V74 WeakPolarHBondContact O-CG2 3.2Å; R70-V74 PolarHBondContact O-N 3.34Å; R70-V74 VanDerWaalsContact O-N 3.17Å
71H92.8Very high91.5Very high105 Ų10576.1 Ų76.149%0.48638%0.375SS..Hα-helixtrans-71.7-42.4179.5-62.5-62.7000111.2L67 K68 W69 L73 V74 I75L67-H71 HydrophobicContact CB-CB 4.29Å; L67-H71 HydrophobicContact CD1-CB 4.37Å; L67-H71 HydrophobicContact CD2-CB 4.39Å; K68-H71 PolarHBondContact O-N 2.62Å; W69-H71 PolarHBondContact O-N 3.29Å; H71-L73 VanDerWaalsContact C-N 3.33Å; H71-L73 PolarHBondContact O-N 2.86Å; H71-V74 PolarHBondContact O-N 2.89Å; H71-I75 VanDerWaalsContact O-CG1 3.29Å; H71-I75 WeakPolarHBondContact O-CG1 3.41Å; H71-I75 PolarHBondContact O-N 2.94Å
72T91.4Very high92Very high2 Ų275.6 Ų75.61%0.01238%0.381CS..Hα-helixtrans-57-45.8175.6-57.30000111.5L64 K68 W69 I75 F76 K177L64-T72 PolarHBondContact O-OG1 2.93Å; K68-T72 PolarHBondContact O-N 2.95Å; K68-T72 PolarHBondContact O-OG1 3.44Å; W69-T72 PolarHBondContact O-N 3.01Å; T72-I75 PolarHBondContact O-N 3.04Å; T72-F76 HydrophobicContact CG2-CD2 3.77Å; T72-F76 HydrophobicContact CG2-CE2 3.17Å; T72-F76 HydrophobicContact CG2-CZ 3.6Å; T72-F76 VanDerWaalsContact O-CD2 3.26Å; T72-F76 WeakPolarHBondContact O-CD2 3.25Å; T72-F76 VanDerWaalsContact O-CG 3.26Å; T72-F76 WeakPolarHBondContact O-CG 3.49Å; T72-F76 PolarHBondContact O-N 3.18Å; T72-K177 HydrophobicContact CG2-CD 4.05Å; T72-K177 WeakPolarHBondContact OG1-CE 3.22Å; T72-K177 PolarHBondContact OG1-NZ 3.37Å
73L91.9Very high92.5Very high97 Ų9773.4 Ų73.451%0.50837%0.368SS..Hα-helixtrans-62.8-43.1177.1-73.2171.4000112.5W69 H71 F76 T77W69-L73 WeakPolarHBondContact O-CB 3.4Å; W69-L73 VanDerWaalsContact O-CG 3.3Å; W69-L73 WeakPolarHBondContact O-CG 3.31Å; W69-L73 PolarHBondContact O-N 2.79Å; H71-L73 VanDerWaalsContact C-N 3.33Å; H71-L73 PolarHBondContact O-N 2.86Å; L73-F76 PolarHBondContact O-N 2.98Å; L73-T77 WeakPolarHBondContact O-CG2 3.24Å; L73-T77 PolarHBondContact O-N 2.8Å; L73-T77 PolarHBondContact O-OG1 3.17Å
74V94.9Very high92.8Very high83 Ų8373.8 Ų73.850%0.50337%0.365SS..Hα-helixtrans-64.8-41.8177.9170.40000111.7R70 H71 F76 T77 M78R70-V74 VanDerWaalsContact O-CG2 3.3Å; R70-V74 WeakPolarHBondContact O-CG2 3.2Å; R70-V74 PolarHBondContact O-N 3.34Å; R70-V74 VanDerWaalsContact O-N 3.17Å; H71-V74 PolarHBondContact O-N 2.89Å; V74-F76 VanDerWaalsContact C-N 3.31Å; V74-F76 PolarHBondContact O-N 3.28Å; V74-T77 PolarHBondContact O-OG1 3.03Å; V74-M78 HydrophobicContact CG1-CG 4.37Å; V74-M78 WeakPolarHBondContact O-CB 3.48Å; V74-M78 VanDerWaalsContact O-CG 3.24Å; V74-M78 WeakPolarHBondContact O-CG 3.27Å; V74-M78 PolarHBondContact O-N 2.97Å
75I93.3Very high93.2Very high75 Ų7576.5 Ų76.539%0.38538%0.379SS..Hα-helixtrans-63.4-41.5177.8-69.2165.3000110.3L64 L67 H71 T72 M78 S79L64-I75 HydrophobicContact CD1-CB 4.21Å; L64-I75 HydrophobicContact CD1-CD1 3.77Å; L64-I75 HydrophobicContact CD1-CG2 3.86Å; L67-I75 HydrophobicContact CD1-CD1 3.52Å; H71-I75 VanDerWaalsContact O-CG1 3.29Å; H71-I75 WeakPolarHBondContact O-CG1 3.41Å; H71-I75 PolarHBondContact O-N 2.94Å; T72-I75 PolarHBondContact O-N 3.04Å; I75-M78 PolarHBondContact O-N 3.44Å; I75-S79 WeakPolarHBondContact O-CB 3.5Å; I75-S79 PolarHBondContact O-N 2.99Å
76F92.6Very high93.5Very high12 Ų1281.2 Ų81.25%0.05340%0.404CS..Hα-helixtrans-66.7-45.6178.2-70.3-28.4000113.5L64 T72 L73 V74 M78 S79 F80 M170 C173 I174L64-F76 HydrophobicContact CD2-CE1 3.71Å; L64-F76 HydrophobicContact CD2-CZ 4.21Å; L64-F76 HydrophobicContact CG-CE1 4.37Å; T72-F76 HydrophobicContact CG2-CD2 3.77Å; T72-F76 HydrophobicContact CG2-CE2 3.17Å; T72-F76 HydrophobicContact CG2-CZ 3.6Å; T72-F76 VanDerWaalsContact O-CD2 3.26Å; T72-F76 WeakPolarHBondContact O-CD2 3.25Å; T72-F76 VanDerWaalsContact O-CG 3.26Å; T72-F76 WeakPolarHBondContact O-CG 3.49Å; T72-F76 PolarHBondContact O-N 3.18Å; L73-F76 PolarHBondContact O-N 2.98Å; V74-F76 VanDerWaalsContact C-N 3.31Å; V74-F76 PolarHBondContact O-N 3.28Å; F76-M78 VanDerWaalsContact C-N 3.31Å; F76-M78 PolarHBondContact O-N 3.46Å; F76-S79 PolarHBondContact O-N 2.87Å; F76-F80 PolarHBondContact O-N 3.45Å; F76-F80 VanDerWaalsContact O-N 3.13Å; F76-M170 HydrophobicContact CB-CE 3.59Å; F76-M170 HydrophobicContact CB-SD 3.66Å; F76-M170 HydrophobicContact CD1-CB 4.37Å; F76-M170 HydrophobicContact CD1-CG 3.81Å; F76-M170 HydrophobicContact CD1-SD 3.86Å; F76-M170 HydrophobicContact CD2-CE 3.72Å; F76-M170 HydrophobicContact CD2-CG 4.03Å; F76-M170 HydrophobicContact CD2-SD 4.1Å; F76-M170 HydrophobicContact CE1-CB 4.24Å; F76-M170 HydrophobicContact CE1-CG 3.86Å; F76-M170 HydrophobicContact CE2-CG 4.08Å; F76-M170 HydrophobicContact CG-CE 3.73Å; F76-M170 HydrophobicContact CG-CG 3.91Å; F76-M170 HydrophobicContact CG-SD 3.63Å; F76-M170 HydrophobicContact CZ-CG 4.02Å; F76-C173 HydrophobicContact CE1-CB 4.34Å; F76-C173 HydrophobicContact CZ-CB 3.74Å; F76-I174 HydrophobicContact CD2-CD1 4.19Å; F76-I174 HydrophobicContact CD2-CG1 4.2Å; F76-I174 HydrophobicContact CE2-CD1 3.91Å; F76-I174 HydrophobicContact CE2-CG1 3.44Å; F76-I174 VanDerWaalsContact CE2-CG1 3.44Å; F76-I174 HydrophobicContact CZ-CG1 4.1Å
77T93.7Very high93.9Very high74 Ų7476.2 Ų76.245%0.45438%0.376SS..Hα-helixtrans-63.3-41.3176.754.50000111.1L73 V74 F80 L81L73-T77 WeakPolarHBondContact O-CG2 3.24Å; L73-T77 PolarHBondContact O-N 2.8Å; L73-T77 PolarHBondContact O-OG1 3.17Å; V74-T77 PolarHBondContact O-OG1 3.03Å; T77-F80 PolarHBondContact O-N 3.35Å; T77-L81 WeakPolarHBondContact O-CB 3.26Å; T77-L81 VanDerWaalsContact O-CG 3.24Å; T77-L81 WeakPolarHBondContact O-CG 3.49Å; T77-L81 PolarHBondContact O-N 2.95Å
78M95.2Very high94.2Very high102 Ų10273 Ų7350%0.50236%0.359SS..Hα-helixtrans-64.8-40.2176.1-72.5-63.9160.100112.4V74 I75 F76 F80 L81 C82V74-M78 HydrophobicContact CG1-CG 4.37Å; V74-M78 WeakPolarHBondContact O-CB 3.48Å; V74-M78 VanDerWaalsContact O-CG 3.24Å; V74-M78 WeakPolarHBondContact O-CG 3.27Å; V74-M78 PolarHBondContact O-N 2.97Å; I75-M78 PolarHBondContact O-N 3.44Å; F76-M78 VanDerWaalsContact C-N 3.31Å; F76-M78 PolarHBondContact O-N 3.46Å; M78-F80 PolarHBondContact O-N 3.45Å; M78-L81 PolarHBondContact O-N 3.44Å; M78-L81 HydrophobicContact SD-CD1 4.46Å; M78-C82 VanDerWaalsContact O-CB 3.27Å; M78-C82 WeakPolarHBondContact O-CB 3.35Å; M78-C82 PolarHBondContact O-N 2.96Å; M78-C82 PolarHBondContact O-SG 2.69Å
79S94.4Very high94.4Very high52 Ų5270.9 Ų70.936%0.36435%0.353SS..Hα-helixtrans-59-47.7176.3-174.90000112I75 F76 C82 S83I75-S79 WeakPolarHBondContact O-CB 3.5Å; I75-S79 PolarHBondContact O-N 2.99Å; F76-S79 PolarHBondContact O-N 2.87Å; S79-C82 PolarHBondContact O-N 3.08Å; S79-S83 PolarHBondContact O-N 2.88Å; S79-S83 PolarHBondContact O-OG 3.3Å
80F94.6Very high94.6Very high42 Ų4269.5 Ų69.518%0.18435%0.353CS..Hα-helixtrans-63.9-48.2176.4-79.6-55000112.4F76 T77 M78 C82 S83 W84 I166 M170F76-F80 PolarHBondContact O-N 3.45Å; F76-F80 VanDerWaalsContact O-N 3.13Å; T77-F80 PolarHBondContact O-N 3.35Å; M78-F80 PolarHBondContact O-N 3.45Å; F80-C82 VanDerWaalsContact C-N 3.34Å; F80-C82 PolarHBondContact O-N 3.46Å; F80-S83 PolarHBondContact O-N 3.2Å; F80-S83 VanDerWaalsContact O-N 3.16Å; F80-S83 PolarHBondContact O-OG 2.88Å; F80-W84 HydrophobicContact CB-CD2 4.48Å; F80-W84 HydrophobicContact CB-CH2 4.21Å; F80-W84 HydrophobicContact CB-CZ2 3.95Å; F80-W84 HydrophobicContact CD1-CZ2 4.41Å; F80-W84 HydrophobicContact CG-CZ2 4.28Å; F80-W84 PolarHBondContact O-N 2.79Å; F80-I166 HydrophobicContact CD1-CG2 4.32Å; F80-I166 HydrophobicContact CE1-CG2 4.01Å; F80-M170 HydrophobicContact CD2-CE 4.49Å; F80-M170 HydrophobicContact CD2-SD 3.98Å; F80-M170 HydrophobicContact CE2-CE 3.76Å; F80-M170 HydrophobicContact CE2-SD 3.15Å; F80-M170 WeakPolarHBondContact CE2-SD 3.47Å; F80-M170 HydrophobicContact CZ-SD 3.7Å
81L95.3Very high94.7Very high68 Ų6859.7 Ų59.736%0.35632%0.316SS..Hα-helixtrans-58.5-44.7178.5-71.5171.6000111.8T77 M78 S83 W84 L85T77-L81 WeakPolarHBondContact O-CB 3.26Å; T77-L81 VanDerWaalsContact O-CG 3.24Å; T77-L81 WeakPolarHBondContact O-CG 3.49Å; T77-L81 PolarHBondContact O-N 2.95Å; M78-L81 PolarHBondContact O-N 3.44Å; M78-L81 HydrophobicContact SD-CD1 4.46Å; L81-S83 PolarHBondContact O-N 3.24Å; L81-W84 HydrophobicContact CD2-CE3 3.91Å; L81-W84 HydrophobicContact CD2-CZ3 3.97Å; L81-W84 PolarHBondContact O-N 2.85Å; L81-L85 WeakPolarHBondContact O-CB 3.42Å; L81-L85 VanDerWaalsContact O-CG 3.28Å; L81-L85 WeakPolarHBondContact O-CG 3.21Å; L81-L85 PolarHBondContact O-N 3.24Å
82C96.4Very high94.7Very high79 Ų7958.8 Ų58.853%0.53431%0.308SS..Hα-helixtrans-61.5-43.8176.2-73.60000111.7M78 S79 F80 L85 L86M78-C82 VanDerWaalsContact O-CB 3.27Å; M78-C82 WeakPolarHBondContact O-CB 3.35Å; M78-C82 PolarHBondContact O-N 2.96Å; M78-C82 PolarHBondContact O-SG 2.69Å; S79-C82 PolarHBondContact O-N 3.08Å; F80-C82 VanDerWaalsContact C-N 3.34Å; F80-C82 PolarHBondContact O-N 3.46Å; C82-L85 PolarHBondContact O-N 2.83Å; C82-L86 WeakPolarHBondContact O-CB 3.27Å; C82-L86 PolarHBondContact O-N 3.12Å
83S96.5Very high94.7Very high11 Ų1163.3 Ų63.38%0.07733%0.331CS..Hα-helixtrans-64.7-43.6177.770.20000112.3S79 F80 L81 L85 L86 F87 Q135S79-S83 PolarHBondContact O-N 2.88Å; S79-S83 PolarHBondContact O-OG 3.3Å; F80-S83 PolarHBondContact O-N 3.2Å; F80-S83 VanDerWaalsContact O-N 3.16Å; F80-S83 PolarHBondContact O-OG 2.88Å; L81-S83 PolarHBondContact O-N 3.24Å; S83-L85 PolarHBondContact O-N 3.27Å; S83-L86 PolarHBondContact O-N 2.84Å; S83-F87 VanDerWaalsContact O-CD2 3.24Å; S83-F87 WeakPolarHBondContact O-CD2 3.45Å; S83-F87 PolarHBondContact O-N 2.8Å; S83-Q135 PolarHBondContact OG-NE2 3.32Å
84W96.3Very high94.7Very high51 Ų5159 Ų5919%0.19331%0.31CS..Hα-helixtrans-63.9-41.1177.1-61.5-23.7000111.7F80 L81 A88 F128 S131 I132 V136F80-W84 HydrophobicContact CB-CD2 4.48Å; F80-W84 HydrophobicContact CB-CH2 4.21Å; F80-W84 HydrophobicContact CB-CZ2 3.95Å; F80-W84 HydrophobicContact CD1-CZ2 4.41Å; F80-W84 HydrophobicContact CG-CZ2 4.28Å; F80-W84 PolarHBondContact O-N 2.79Å; L81-W84 HydrophobicContact CD2-CE3 3.91Å; L81-W84 HydrophobicContact CD2-CZ3 3.97Å; L81-W84 PolarHBondContact O-N 2.85Å; W84-A88 WeakPolarHBondContact O-CB 3.22Å; W84-A88 PolarHBondContact O-N 3.18Å; W84-F128 HydrophobicContact CB-CD2 4.49Å; W84-F128 HydrophobicContact CB-CE2 3.79Å; W84-F128 HydrophobicContact CB-CZ 4.47Å; W84-S131 PolarHBondContact O-OG 2.93Å; W84-I132 HydrophobicContact CB-CG1 4.12Å; W84-I132 HydrophobicContact CD2-CD1 4.3Å; W84-I132 HydrophobicContact CD2-CG1 3.74Å; W84-I132 HydrophobicContact CE3-CD1 3.96Å; W84-I132 HydrophobicContact CE3-CG1 3.93Å; W84-I132 HydrophobicContact CG-CG1 3.82Å; W84-I132 HydrophobicContact CZ3-CD1 4.43Å; W84-V136 HydrophobicContact CZ2-CG2 3.65Å
85L96.4Very high94.4Very high82 Ų8255.4 Ų55.443%0.42929%0.288SS..Hα-helixtrans-66.9-39.9176.8-73.7170.6000112.3L81 C82 S83 A88 M89 F124 F128L81-L85 WeakPolarHBondContact O-CB 3.42Å; L81-L85 VanDerWaalsContact O-CG 3.28Å; L81-L85 WeakPolarHBondContact O-CG 3.21Å; L81-L85 PolarHBondContact O-N 3.24Å; C82-L85 PolarHBondContact O-N 2.83Å; S83-L85 PolarHBondContact O-N 3.27Å; L85-A88 PolarHBondContact O-N 2.89Å; L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 PolarHBondContact O-N 3.06Å; L85-F124 HydrophobicContact CD2-CE1 4.34Å; L85-F124 HydrophobicContact CD2-CZ 4.15Å; L85-F128 HydrophobicContact CD2-CD2 3.9Å; L85-F128 HydrophobicContact CD2-CE2 3.71Å; L85-F128 HydrophobicContact CG-CE2 4.02Å
86L96.3Very high94.2Very high104 Ų10458.2 Ų58.255%0.54530%0.298SS..Hα-helixtrans-62.6-51.7177.3-173161.4000110.6C82 S83 M89 M90C82-L86 WeakPolarHBondContact O-CB 3.27Å; C82-L86 PolarHBondContact O-N 3.12Å; S83-L86 PolarHBondContact O-N 2.84Å; L86-M89 PolarHBondContact O-N 2.78Å; L86-M90 HydrophobicContact CD2-CG 4.16Å; L86-M90 WeakPolarHBondContact O-CG 3.31Å; L86-M90 PolarHBondContact O-N 2.9Å
87F96.3Very high94Very high12 Ų1261.5 Ų61.55%0.05333%0.327CS..Hα-helixtrans-68.9-34.3179-74.7-67.3000112.4S83 M89 M90 W91 S131 L158 Q159 V162S83-F87 VanDerWaalsContact O-CD2 3.24Å; S83-F87 WeakPolarHBondContact O-CD2 3.45Å; S83-F87 PolarHBondContact O-N 2.8Å; F87-M89 VanDerWaalsContact C-N 3.31Å; F87-M89 PolarHBondContact O-N 2.79Å; F87-M90 WeakPolarHBondContact O-CB 3.35Å; F87-M90 PolarHBondContact O-N 3.41Å; F87-W91 PolarHBondContact O-N 3.36Å; F87-S131 WeakPolarHBondContact CB-OG 3.5Å; F87-L158 HydrophobicContact CE1-CG 4.49Å; F87-Q159 HydrophobicContact CB-CG 4.24Å; F87-Q159 HydrophobicContact CD1-CB 3.65Å; F87-Q159 HydrophobicContact CD1-CG 3.82Å; F87-Q159 HydrophobicContact CD2-CB 4.39Å; F87-Q159 HydrophobicContact CD2-CG 3.8Å; F87-Q159 HydrophobicContact CE1-CB 3.62Å; F87-Q159 HydrophobicContact CE1-CG 4.1Å; F87-Q159 HydrophobicContact CE2-CB 4.37Å; F87-Q159 HydrophobicContact CE2-CG 4.09Å; F87-Q159 HydrophobicContact CG-CB 4.07Å; F87-Q159 HydrophobicContact CG-CG 3.68Å; F87-Q159 HydrophobicContact CZ-CB 4.01Å; F87-Q159 HydrophobicContact CZ-CG 4.24Å; F87-V162 HydrophobicContact CE2-CB 4.26Å; F87-V162 HydrophobicContact CE2-CG1 4.08Å; F87-V162 HydrophobicContact CZ-CB 4.03Å; F87-V162 HydrophobicContact CZ-CG1 4.2Å; F87-V162 HydrophobicContact CZ-CG2 4.35Å
88A95.9Very high93.6Very high0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-59.6-42171.600000112.4W84 L85 W91 W92 F124 F128 S131W84-A88 WeakPolarHBondContact O-CB 3.22Å; W84-A88 PolarHBondContact O-N 3.18Å; L85-A88 PolarHBondContact O-N 2.89Å; A88-W91 PolarHBondContact O-N 3.42Å; A88-W92 VanDerWaalsContact O-CB 3.26Å; A88-W92 WeakPolarHBondContact O-CB 3.36Å; A88-W92 PolarHBondContact O-N 2.81Å; A88-F124 HydrophobicContact CB-CE2 4.21Å; A88-F124 HydrophobicContact CB-CZ 4.2Å; A88-F128 VanDerWaalsContact CB-CA 3.5Å; A88-F128 HydrophobicContact CB-CB 3.89Å; A88-F128 HydrophobicContact CB-CD2 3.8Å; A88-F128 HydrophobicContact CB-CG 4.35Å; A88-S131 PolarHBondContact N-OG 2.76Å
89M95.4Very high93.1Very high115 Ų11557.8 Ų57.857%0.56731%0.312SS*.Hα-helixtrans-64.8-41175.1-176173.2-77.800111.2L85 L86 F87 W92 L93 F124L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 PolarHBondContact O-N 3.06Å; L86-M89 PolarHBondContact O-N 2.78Å; F87-M89 VanDerWaalsContact C-N 3.31Å; F87-M89 PolarHBondContact O-N 2.79Å; M89-W92 PolarHBondContact O-N 3.15Å; M89-L93 VanDerWaalsContact O-CB 3.29Å; M89-L93 WeakPolarHBondContact O-CB 3.3Å; M89-L93 PolarHBondContact O-N 2.81Å; M89-F124 HydrophobicContact CB-CE2 4.4Å
90M94.4Very high92.4Very high82 Ų8256 Ų5640%0.40430%0.299SS..Hα-helixtrans-61.9-47.4174.3-67.7-64-67.600111.9L86 F87 W92 L93 V94 V155L86-M90 HydrophobicContact CD2-CG 4.16Å; L86-M90 WeakPolarHBondContact O-CG 3.31Å; L86-M90 PolarHBondContact O-N 2.9Å; F87-M90 WeakPolarHBondContact O-CB 3.35Å; F87-M90 PolarHBondContact O-N 3.41Å; M90-W92 PolarHBondContact O-N 2.84Å; M90-L93 PolarHBondContact O-N 3.17Å; M90-V94 VanDerWaalsContact O-CG2 3.3Å; M90-V94 WeakPolarHBondContact O-CG2 3.39Å; M90-V94 PolarHBondContact O-N 2.99Å; M90-V155 HydrophobicContact CB-CG1 4.34Å; M90-V155 HydrophobicContact CE-CG2 4.47Å
91W94Very high91.4Very high5 Ų556.3 Ų56.32%0.01930%0.301CS..Hα-helixtrans-61.6-42.5176.9-79.3115.9000112.6F87 A88 L93 V94 A95 V118 A127 F130 M145 A152 V155 L156F87-W91 PolarHBondContact O-N 3.36Å; A88-W91 PolarHBondContact O-N 3.42Å; W91-L93 VanDerWaalsContact C-N 3.34Å; W91-V94 PolarHBondContact O-N 2.93Å; W91-A95 WeakPolarHBondContact O-CB 3.45Å; W91-A95 PolarHBondContact O-N 2.84Å; W91-V118 HydrophobicContact CE3-CG2 3.77Å; W91-V118 HydrophobicContact CH2-CG2 4.4Å; W91-V118 HydrophobicContact CZ3-CG2 3.49Å; W91-V118 VanDerWaalsContact CZ3-CG2 3.49Å; W91-A127 HydrophobicContact CB-CB 4.24Å; W91-F130 AromaticContact CD2-CD1 3.91Å; W91-F130 HydrophobicContact CD2-CD1 3.91Å; W91-F130 AromaticContact CD2-CE1 3.78Å; W91-F130 HydrophobicContact CD2-CE1 3.78Å; W91-F130 AromaticContact CE2-CE1 3.66Å; W91-F130 HydrophobicContact CE3-CD1 4.29Å; W91-F130 AromaticContact CE3-CE1 3.91Å; W91-F130 HydrophobicContact CE3-CE1 3.91Å; W91-F130 HydrophobicContact CG-CD1 4.1Å; W91-F130 HydrophobicContact CG-CE1 4.44Å; W91-F130 AromaticContact CH2-CE1 3.87Å; W91-F130 HydrophobicContact CH2-CE1 3.87Å; W91-F130 AromaticContact CZ2-CE1 3.74Å; W91-F130 HydrophobicContact CZ2-CE1 3.74Å; W91-F130 AromaticContact CZ3-CE1 3.93Å; W91-F130 HydrophobicContact CZ3-CE1 3.93Å; W91-M145 HydrophobicContact CH2-SD 3.71Å; W91-M145 HydrophobicContact CZ3-SD 3.86Å; W91-A152 HydrophobicContact CH2-CB 4.18Å; W91-A152 VanDerWaalsContact CH2-O 3.27Å; W91-A152 WeakPolarHBondContact CH2-O 3.36Å; W91-A152 HydrophobicContact CZ3-CB 3.72Å; W91-V155 HydrophobicContact CD2-CG1 4.32Å; W91-V155 HydrophobicContact CZ2-CB 4.44Å; W91-V155 HydrophobicContact CZ2-CG1 3.97Å; W91-L156 HydrophobicContact CH2-CB 4.12Å; W91-L156 HydrophobicContact CZ2-CB 4Å; W91-L156 HydrophobicContact CZ2-CD1 4.48Å
92W93Very high90.2Very high87 Ų8757.6 Ų57.633%0.3331%0.309SS..Hα-helixtrans-63.2-41175.6-179.773.4000111.7A88 M89 M90 A95 F96 M101 F124 A127A88-W92 VanDerWaalsContact O-CB 3.26Å; A88-W92 WeakPolarHBondContact O-CB 3.36Å; A88-W92 PolarHBondContact O-N 2.81Å; M89-W92 PolarHBondContact O-N 3.15Å; M90-W92 PolarHBondContact O-N 2.84Å; W92-A95 PolarHBondContact O-N 2.83Å; W92-F96 WeakPolarHBondContact O-CB 3.45Å; W92-F96 PolarHBondContact O-N 2.83Å; W92-M101 HydrophobicContact CD2-CE 4.36Å; W92-M101 HydrophobicContact CG-CE 4.35Å; W92-M101 HydrophobicContact CZ2-CE 4.26Å; W92-M101 VanDerWaalsContact NE1-CE 3.31Å; W92-M101 PolarHBondContact NE1-SD 2.86Å; W92-F124 HydrophobicContact CB-CD2 4.12Å; W92-F124 HydrophobicContact CG-CD2 4.1Å; W92-A127 HydrophobicContact CB-CB 3.95Å
93L92.4Very high88.7Confident96 Ų9659.8 Ų59.850%0.50332%0.321SS..Hα-helixtrans-70.1-36.5178.8-166.1134.4000112.3M89 M90 W91 F96 A97M89-L93 VanDerWaalsContact O-CB 3.29Å; M89-L93 WeakPolarHBondContact O-CB 3.3Å; M89-L93 PolarHBondContact O-N 2.81Å; M90-L93 PolarHBondContact O-N 3.17Å; W91-L93 VanDerWaalsContact C-N 3.34Å; L93-F96 PolarHBondContact O-N 3.43Å; L93-A97 VanDerWaalsContact O-CB 3.27Å; L93-A97 WeakPolarHBondContact O-CB 3.31Å; L93-A97 PolarHBondContact O-N 3.3Å
94V91.5Very high86.9Confident8 Ų863.6 Ų63.65%0.04835%0.348CS..Hα-helixtrans-63.8-47.2172.7171.40000110.8M90 W91 F96 A97 H98 L151 A152 V155M90-V94 VanDerWaalsContact O-CG2 3.3Å; M90-V94 WeakPolarHBondContact O-CG2 3.39Å; M90-V94 PolarHBondContact O-N 2.99Å; W91-V94 PolarHBondContact O-N 2.93Å; V94-F96 VanDerWaalsContact C-N 3.32Å; V94-F96 PolarHBondContact O-N 2.93Å; V94-A97 PolarHBondContact O-N 3.45Å; V94-H98 WeakPolarHBondContact O-CB 3.41Å; V94-H98 PolarHBondContact O-N 2.74Å; V94-L151 HydrophobicContact CG2-CD2 3.96Å; V94-L151 HydrophobicContact CG2-CG 4.24Å; V94-A152 HydrophobicContact CG1-CB 4.01Å; V94-V155 HydrophobicContact CG2-CG2 4.34Å
95A89.3Confident85.3Confident6 Ų663 Ų635%0.0535%0.348CS..Hα-helixtrans-63-37.817600000112.2W91 W92 G99 D100 V121W91-A95 WeakPolarHBondContact O-CB 3.45Å; W91-A95 PolarHBondContact O-N 2.84Å; W92-A95 PolarHBondContact O-N 2.83Å; A95-G99 PolarHBondContact O-N 2.76Å; A95-G99 VanDerWaalsContact O-N 3.15Å; A95-D100 HydrophobicContact CB-CB 4.33Å; A95-D100 PolarHBondContact O-N 3.45Å; A95-V121 HydrophobicContact CB-CG1 4.4Å
96F89.3Confident83.3Confident135 Ų13564.9 Ų64.959%0.59236%0.355SS*.Hα-helixtrans-65.2-47.4175.4-171.8-103.9000112.3W92 L93 V94 H98 G99 M101W92-F96 WeakPolarHBondContact O-CB 3.45Å; W92-F96 PolarHBondContact O-N 2.83Å; L93-F96 PolarHBondContact O-N 3.43Å; V94-F96 VanDerWaalsContact C-N 3.32Å; V94-F96 PolarHBondContact O-N 2.93Å; F96-H98 VanDerWaalsContact C-N 3.33Å; F96-H98 PolarHBondContact O-N 3.48Å; F96-G99 PolarHBondContact O-N 2.85Å; F96-M101 HydrophobicContact CB-CE 3.26Å; F96-M101 HydrophobicContact CD2-CE 3.5Å; F96-M101 VanDerWaalsContact CD2-CE 3.5Å; F96-M101 HydrophobicContact CG-CE 3.84Å
97A88.3Confident81.3Confident80 Ų8063.1 Ų63.166%0.66135%0.351SS*.Hα-helixtrans-68.1-32.9-177.900000112.5L93 V94L93-A97 VanDerWaalsContact O-CB 3.27Å; L93-A97 WeakPolarHBondContact O-CB 3.31Å; L93-A97 PolarHBondContact O-N 3.3Å; V94-A97 PolarHBondContact O-N 3.45Å
98H85.1Confident79.1Confident64 Ų6466.1 Ų66.130%0.29637%0.37SS..Hα-helixtrans-73.2-29.5174.8-165.5-112.4000112.2V94 F96 D100 W114 C149V94-H98 WeakPolarHBondContact O-CB 3.41Å; V94-H98 PolarHBondContact O-N 2.74Å; F96-H98 VanDerWaalsContact C-N 3.33Å; F96-H98 PolarHBondContact O-N 3.48Å; H98-D100 IonicContact CE1-OD1 3.61Å; H98-D100 IonicContact CG-OD1 2.74Å; H98-D100 IonicContact CG-OD2 3.11Å; H98-D100 VanDerWaalsContact ND1-CG 3.31Å; H98-D100 IonicContact ND1-OD1 2.72Å; H98-D100 PolarHBondContact ND1-OD1 2.88Å; H98-D100 IonicContact ND1-OD2 3.8Å; H98-D100 PolarHBondContact ND1-OD2 3.42Å; H98-W114 AromaticContact CE1-CE2 3.82Å; H98-W114 AromaticContact CE1-CH2 3.94Å; H98-W114 AromaticContact CE1-CZ2 3.33Å; H98-W114 WeakPolarHBondContact CE1-CZ2 3.25Å; H98-W114 AromaticContact ND1-CE2 3.94Å; H98-W114 AromaticContact ND1-CZ2 3.37Å; H98-W114 WeakPolarHBondContact ND1-CZ2 3.37Å; H98-W114 WeakPolarHBondContact O-CH2 3.34Å; H98-W114 WeakPolarHBondContact O-CZ2 3.47Å; H98-C149 VanDerWaalsContact CD2-SG 3.59Å; H98-C149 PolarHBondContact NE2-SG 2.96Å
99G83.9Confident77Confident34 Ų3473 Ų7335%0.35141%0.412SS..THydrogen-bonded Turntrans97.413.6-176.400000114.1A95 F96 M101 D102A95-G99 PolarHBondContact O-N 2.76Å; A95-G99 VanDerWaalsContact O-N 3.15Å; F96-G99 PolarHBondContact O-N 2.85Å; G99-M101 PolarHBondContact O-N 3.21Å; G99-M101 VanDerWaalsContact O-N 3.14Å; G99-D102 PolarHBondContact O-N 2.93Å
100D79.6Confident74.8Confident16 Ų1674 Ų749%0.08642%0.42CS..THydrogen-bonded Turntrans-70-9.6-175.6-69.2-20.1000114.3A95 H98 W114 P116 C117A95-D100 HydrophobicContact CB-CB 4.33Å; A95-D100 PolarHBondContact O-N 3.45Å; H98-D100 IonicContact CE1-OD1 3.61Å; H98-D100 IonicContact CG-OD1 2.74Å; H98-D100 IonicContact CG-OD2 3.11Å; H98-D100 VanDerWaalsContact ND1-CG 3.31Å; H98-D100 IonicContact ND1-OD1 2.72Å; H98-D100 PolarHBondContact ND1-OD1 2.88Å; H98-D100 IonicContact ND1-OD2 3.8Å; H98-D100 PolarHBondContact ND1-OD2 3.42Å; D100-W114 PolarHBondContact OD1-NE1 2.7Å; D100-P116 HydrophobicContact CB-CB 4.24Å; D100-P116 WeakPolarHBondContact OD1-CA 3.49Å; D100-C117 PolarHBondContact OD2-N 2.94Å
101M73Confident72.6Confident48 Ų4873.1 Ų73.124%0.23642%0.422CS..THydrogen-bonded Turntrans-88.31-179.7-76.4-164.2-91.300114.3W92 F96 G99 P103W92-M101 HydrophobicContact CD2-CE 4.36Å; W92-M101 HydrophobicContact CG-CE 4.35Å; W92-M101 HydrophobicContact CZ2-CE 4.26Å; W92-M101 VanDerWaalsContact NE1-CE 3.31Å; W92-M101 PolarHBondContact NE1-SD 2.86Å; F96-M101 HydrophobicContact CB-CE 3.26Å; F96-M101 HydrophobicContact CD2-CE 3.5Å; F96-M101 VanDerWaalsContact CD2-CE 3.5Å; F96-M101 HydrophobicContact CG-CE 3.84Å; G99-M101 PolarHBondContact O-N 3.21Å; G99-M101 VanDerWaalsContact O-N 3.14Å; M101-P103 WeakPolarHBondContact O-CD 3.49Å
102D71.8Confident70.8Confident95 Ų9580.1 Ų80.151%0.50847%0.465SS..  trans-69.1121176.4-158.5-22.6000110.6G99 S104 I105G99-D102 PolarHBondContact O-N 2.93Å; D102-S104 PolarHBondContact O-N 2.7Å; D102-I105 HydrophobicContact CB-CD1 4.34Å; D102-I105 PolarHBondContact O-N 3.46Å; D102-I105 VanDerWaalsContact O-N 3.12Å
103P64.6Low69.3Low124 Ų12485.5 Ų85.581%0.80549%0.491SS*.THydrogen-bonded Turntrans-60.4-11.3-177.521.4-34.4000115.1M101 I105M101-P103 WeakPolarHBondContact O-CD 3.49Å; P103-I105 PolarHBondContact O-N 2.97Å
104S58.7Low68.4Low92 Ų9286.4 Ų86.464%0.64349%0.488SS*.THydrogen-bonded Turntrans-70.9-11.9173.960.20000114.3D102 E106D102-S104 PolarHBondContact O-N 2.7Å; S104-E106 PolarHBondContact O-N 3.35Å
105I61.3Low67.9Low37 Ų3789.4 Ų89.419%0.1951%0.506CS..SBendtrans-88.297.1178.9-57.8163000108.6D102 P103 W114D102-I105 HydrophobicContact CB-CD1 4.34Å; D102-I105 PolarHBondContact O-N 3.46Å; D102-I105 VanDerWaalsContact O-N 3.12Å; P103-I105 PolarHBondContact O-N 2.97Å; I105-W114 VanDerWaalsContact CD1-CD1 3.44Å; I105-W114 HydrophobicContact CD1-CG 4.19Å
106E55.6Low67.7Low123 Ų12390.5 Ų90.558%0.57551%0.513SS*.  trans-63.8140.2174.1-81.4-169.5171.900111.6S104 T108S104-E106 PolarHBondContact O-N 3.35Å; E106-T108 PolarHBondContact O-N 2.7Å; E106-T108 VanDerWaalsContact O-N 3.1Å; E106-T108 PolarHBondContact OE2-OG1 2.87Å
107C53.4Low67.6Low66 Ų6684.2 Ų84.245%0.44649%0.486SS..SBendtrans-70.40.9173.9-77.70000113.5C120 R122C107-C120 PolarHBondContact SG-SG 3.01Å; C107-R122 PolarHBondContact SG-NH2 2.97Å
108T50.8Low67.5Low75 Ų7580.9 Ų80.946%0.4646%0.457SS..SBendtrans-96127.3179.3-4.40000108.6E106 N110E106-T108 PolarHBondContact O-N 2.7Å; E106-T108 VanDerWaalsContact O-N 3.1Å; E106-T108 PolarHBondContact OE2-OG1 2.87Å; T108-N110 PolarHBondContact O-N 2.82Å
109T51.3Low67.6Low144 Ų14480 Ų8088%0.88346%0.456SS*.THydrogen-bonded Turntrans-539.5-179.412.60000116.6
110N48.5Very low67.5Low136 Ų13680.8 Ų80.873%0.72746%0.456SS*.THydrogen-bonded Turntrans-100.93.6-173.1-71.2-8.5000114.4T108T108-N110 PolarHBondContact O-N 2.82Å
111S50.1Low67.8Low65 Ų6580.5 Ų80.546%0.45546%0.455SS..  trans-100.792.5173.2-56.60000110.4K113S111-K113 PolarHBondContact O-N 2.77Å
112T54.5Low68.1Low151 Ų15186.1 Ų86.193%0.92647%0.473SS*.THydrogen-bonded Turntrans-67.213.6-170.2450000116.9
113K63.2Low68.9Low201 Ų20184.2 Ų84.287%0.87447%0.467SS*.THydrogen-bonded Turntrans-121.8-12.9-168.4-133.6176.9-175.1-178.80116.6S111S111-K113 PolarHBondContact O-N 2.77Å
114W73.3Confident70.1Confident114 Ų11482 Ų8243%0.43245%0.445SS..  trans-148117.3-178.5-171.2-90.9000112H98 D100 I105H98-W114 AromaticContact CE1-CE2 3.82Å; H98-W114 AromaticContact CE1-CH2 3.94Å; H98-W114 AromaticContact CE1-CZ2 3.33Å; H98-W114 WeakPolarHBondContact CE1-CZ2 3.25Å; H98-W114 AromaticContact ND1-CE2 3.94Å; H98-W114 AromaticContact ND1-CZ2 3.37Å; H98-W114 WeakPolarHBondContact ND1-CZ2 3.37Å; H98-W114 WeakPolarHBondContact O-CH2 3.34Å; H98-W114 WeakPolarHBondContact O-CZ2 3.47Å; D100-W114 PolarHBondContact OD1-NE1 2.7Å; I105-W114 VanDerWaalsContact CD1-CD1 3.44Å; I105-W114 HydrophobicContact CD1-CG 4.19Å
115T80.4Confident71.7Confident71 Ų7181.9 Ų81.944%0.43644%0.441SS..  trans-102.3113.9177.731.20000108.4E148T115-E148 WeakPolarHBondContact CB-OE1 3.22Å; T115-E148 WeakPolarHBondContact OG1-CG 3.46Å; T115-E148 PolarHBondContact OG1-OE1 2.69Å
116P85Confident73.1Confident29 Ų2980.6 Ų80.619%0.18844%0.435CS..  trans-73153.3-177.930.6-35.3000111D100 V118 T119 T146D100-P116 HydrophobicContact CB-CB 4.24Å; D100-P116 WeakPolarHBondContact OD1-CA 3.49Å; P116-V118 VanDerWaalsContact C-N 3.28Å; P116-V118 PolarHBondContact O-N 3.28Å; P116-T119 HydrophobicContact CG-CG2 4.41Å; P116-T146 WeakPolarHBondContact O-CB 3.45Å; P116-T146 WeakPolarHBondContact O-CG2 3.44Å; P116-T146 PolarHBondContact O-OG1 3.46Å
117C86.6Confident74.9Confident3 Ų374.7 Ų74.72%0.0241%0.408CS..SBendtrans-62-38.1177.2-54.90000112D100 T146 C149 A152D100-C117 PolarHBondContact OD2-N 2.94Å; C117-T146 WeakPolarHBondContact CA-OG1 3.23Å; C117-T146 PolarHBondContact O-N 2.73Å; C117-T146 PolarHBondContact O-OG1 3.16Å; C117-C149 VanDerWaalsContact CA-SG 3.56Å; C117-C149 HydrophobicContact CB-CB 3.64Å; C117-C149 WeakPolarHBondContact CB-SG 3.4Å; C117-C149 WeakPolarHBondContact SG-CB 3.21Å; C117-C149 CovalentContact SG-SG 2.03Å; C117-C149 PolarHBondContact SG-SG 3.38Å; C117-A152 HydrophobicContact CB-CB 4.21Å
118V87.3Confident76.9Confident11 Ų1173.8 Ų73.87%0.06740%0.396CS..BIsolated β-bridgetrans-135.6127.2174.6-174.10000108.9W91 P116 V121 F130 R143 M144 M145W91-V118 HydrophobicContact CE3-CG2 3.77Å; W91-V118 HydrophobicContact CH2-CG2 4.4Å; W91-V118 HydrophobicContact CZ3-CG2 3.49Å; W91-V118 VanDerWaalsContact CZ3-CG2 3.49Å; P116-V118 VanDerWaalsContact C-N 3.28Å; P116-V118 PolarHBondContact O-N 3.28Å; V118-V121 HydrophobicContact CB-CG2 3.85Å; V118-V121 HydrophobicContact CG1-CG2 3.56Å; V118-F130 HydrophobicContact CB-CE1 4.49Å; V118-F130 HydrophobicContact CG1-CD1 4.03Å; V118-F130 HydrophobicContact CG1-CD2 4.02Å; V118-F130 HydrophobicContact CG1-CE1 3.82Å; V118-F130 HydrophobicContact CG1-CE2 3.82Å; V118-F130 HydrophobicContact CG1-CG 4.12Å; V118-F130 HydrophobicContact CG1-CZ 3.71Å; V118-F130 HydrophobicContact CG2-CD1 4.44Å; V118-F130 HydrophobicContact CG2-CE1 3.81Å; V118-F130 HydrophobicContact CG2-CZ 4.13Å; V118-R143 HydrophobicContact CG1-CB 4.44Å; V118-M144 WeakPolarHBondContact CA-O 3.22Å; V118-M145 HydrophobicContact CG2-SD 3.96Å
119T85.8Confident78.9Confident44 Ų4473.9 Ų73.927%0.2739%0.393SS..THydrogen-bonded Turntrans-66.9142.4-179.162.10000111.5P116 V121 M144 T146P116-T119 HydrophobicContact CG-CG2 4.41Å; T119-V121 VanDerWaalsContact C-N 3.31Å; T119-V121 PolarHBondContact O-N 2.68Å; T119-M144 PolarHBondContact N-O 2.72Å; T119-M144 PolarHBondContact OG1-N 3.46Å; T119-M144 PolarHBondContact OG1-O 3.3Å; T119-T146 HydrophobicContact CG2-CG2 4.32Å
120C82.8Confident80.9Confident51 Ų5167.5 Ų67.535%0.34535%0.353SS..THydrogen-bonded Turntrans61.629171.5-56.20000115.7C107 R143C107-C120 PolarHBondContact SG-SG 3.01Å; C120-R143 HydrophobicContact CB-CG 4.32Å
121V85Confident83.2Confident11 Ų1161 Ų617%0.06732%0.319CS..  trans-98.698.3170.9-179.30000109.9A95 V118 T119 A127A95-V121 HydrophobicContact CB-CG1 4.4Å; V118-V121 HydrophobicContact CB-CG2 3.85Å; V118-V121 HydrophobicContact CG1-CG2 3.56Å; T119-V121 VanDerWaalsContact C-N 3.31Å; T119-V121 PolarHBondContact O-N 2.68Å; V121-A127 HydrophobicContact CG1-CB 3.91Å
122R80.4Confident85.3Confident166 Ų16659.5 Ų59.563%0.62631%0.305SS*.  trans-109.4-18.5-175.6-64.8-177.9175.3174.1-5.7114.6C107 S126C107-R122 PolarHBondContact SG-NH2 2.97Å; R122-S126 PolarHBondContact N-OG 2.84Å
123S87.9Confident87.2Confident54 Ų5452.8 Ų52.838%0.37826%0.263SS..SBendtrans-146.3165.8-175.364.10000111T125 S126 A127S123-T125 PolarHBondContact O-N 2.78Å; S123-S126 PolarHBondContact N-OG 2.81Å; S123-S126 PolarHBondContact O-N 2.97Å; S123-S126 VanDerWaalsContact O-N 3.1Å; S123-S126 PolarHBondContact O-OG 3.47Å; S123-S126 PolarHBondContact OG-N 2.83Å; S123-S126 PolarHBondContact OG-OG 3.13Å; S123-A127 PolarHBondContact O-N 2.78Å; S123-A127 VanDerWaalsContact O-N 3.12Å
124F90.9Very high88.7Confident77 Ų7744.1 Ų44.134%0.33823%0.227SC..Hα-helixtrans-54.7-39.2172.8-179.3-99.5000112L85 A88 M89 W92 S126 A127 F128L85-F124 HydrophobicContact CD2-CE1 4.34Å; L85-F124 HydrophobicContact CD2-CZ 4.15Å; A88-F124 HydrophobicContact CB-CE2 4.21Å; A88-F124 HydrophobicContact CB-CZ 4.2Å; M89-F124 HydrophobicContact CB-CE2 4.4Å; W92-F124 HydrophobicContact CB-CD2 4.12Å; W92-F124 HydrophobicContact CG-CD2 4.1Å; F124-S126 VanDerWaalsContact C-N 3.34Å; F124-S126 PolarHBondContact O-N 2.9Å; F124-A127 PolarHBondContact O-N 2.85Å; F124-A127 VanDerWaalsContact O-N 3.16Å; F124-F128 WeakPolarHBondContact O-CB 3.29Å; F124-F128 PolarHBondContact O-N 2.86Å
125T92.3Very high89.7Confident91 Ų9139.7 Ų39.756%0.55821%0.211SC*.Hα-helixtrans-60.9-40.9177.8-49.70000112.3S123 F128 L129S123-T125 PolarHBondContact O-N 2.78Å; T125-F128 PolarHBondContact O-N 2.98Å; T125-L129 WeakPolarHBondContact O-CG 3.09Å; T125-L129 PolarHBondContact O-N 3.1Å
126S90.8Very high90.4Very high9 Ų939.5 Ų39.56%0.06321%0.21CC..Hα-helixtrans-68.8-35.2175.446.30000113.1R122 S123 F124 F128 F130R122-S126 PolarHBondContact N-OG 2.84Å; S123-S126 PolarHBondContact N-OG 2.81Å; S123-S126 PolarHBondContact O-N 2.97Å; S123-S126 VanDerWaalsContact O-N 3.1Å; S123-S126 PolarHBondContact O-OG 3.47Å; S123-S126 PolarHBondContact OG-N 2.83Å; S123-S126 PolarHBondContact OG-OG 3.13Å; F124-S126 VanDerWaalsContact C-N 3.34Å; F124-S126 PolarHBondContact O-N 2.9Å; S126-F128 VanDerWaalsContact C-N 3.35Å; S126-F130 WeakPolarHBondContact O-CB 3.44Å; S126-F130 PolarHBondContact O-N 3.16Å
127A92.6Very high90.8Very high0 Ų043.7 Ų43.70%024%0.235CC..Hα-helixtrans-68-36.5173.500000111.5W91 W92 V121 S123 F124 F130 S131W91-A127 HydrophobicContact CB-CB 4.24Å; W92-A127 HydrophobicContact CB-CB 3.95Å; V121-A127 HydrophobicContact CG1-CB 3.91Å; S123-A127 PolarHBondContact O-N 2.78Å; S123-A127 VanDerWaalsContact O-N 3.12Å; F124-A127 PolarHBondContact O-N 2.85Å; F124-A127 VanDerWaalsContact O-N 3.16Å; A127-F130 PolarHBondContact O-N 3.32Å; A127-S131 WeakPolarHBondContact O-CB 3.48Å; A127-S131 PolarHBondContact O-N 2.81Å
128F94.6Very high91.2Very high47 Ų4747.4 Ų47.421%0.20625%0.254CS..Hα-helixtrans-64.9-45.3174.5-179.4-105.8000112.7W84 L85 A88 F124 T125 S126 S131 I132W84-F128 HydrophobicContact CB-CD2 4.49Å; W84-F128 HydrophobicContact CB-CE2 3.79Å; W84-F128 HydrophobicContact CB-CZ 4.47Å; L85-F128 HydrophobicContact CD2-CD2 3.9Å; L85-F128 HydrophobicContact CD2-CE2 3.71Å; L85-F128 HydrophobicContact CG-CE2 4.02Å; A88-F128 VanDerWaalsContact CB-CA 3.5Å; A88-F128 HydrophobicContact CB-CB 3.89Å; A88-F128 HydrophobicContact CB-CD2 3.8Å; A88-F128 HydrophobicContact CB-CG 4.35Å; F124-F128 WeakPolarHBondContact O-CB 3.29Å; F124-F128 PolarHBondContact O-N 2.86Å; T125-F128 PolarHBondContact O-N 2.98Å; S126-F128 VanDerWaalsContact C-N 3.35Å; F128-S131 PolarHBondContact O-N 3.02Å; F128-I132 HydrophobicContact CD1-CD1 3.97Å; F128-I132 HydrophobicContact CE1-CD1 3.43Å; F128-I132 VanDerWaalsContact CE1-CD1 3.43Å; F128-I132 HydrophobicContact CE1-CG1 4.49Å; F128-I132 HydrophobicContact CE2-CD1 4.26Å; F128-I132 HydrophobicContact CZ-CD1 3.6Å; F128-I132 HydrophobicContact CZ-CG1 4.39Å; F128-I132 WeakPolarHBondContact O-CG1 3.34Å; F128-I132 PolarHBondContact O-N 3.47Å
129L93.8Very high91.2Very high76 Ų7649.4 Ų49.440%0.39828%0.277SS..Hα-helixtrans-60.2-46173.7-70173.1000111.3T125 S131 I132 E133T125-L129 WeakPolarHBondContact O-CG 3.09Å; T125-L129 PolarHBondContact O-N 3.1Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.06Å; L129-I132 PolarHBondContact O-N 2.91Å; L129-E133 VanDerWaalsContact O-CG 3.29Å; L129-E133 WeakPolarHBondContact O-CG 3.43Å; L129-E133 PolarHBondContact O-N 3.35Å
130F93.5Very high91.3Very high11 Ų1154.7 Ų54.75%0.04830%0.296CS..Hα-helixtrans-59.8-42.9176-176.3-114.6000112.4W91 V118 S126 A127 I132 E133 V134 R143W91-F130 AromaticContact CD2-CD1 3.91Å; W91-F130 HydrophobicContact CD2-CD1 3.91Å; W91-F130 AromaticContact CD2-CE1 3.78Å; W91-F130 HydrophobicContact CD2-CE1 3.78Å; W91-F130 AromaticContact CE2-CE1 3.66Å; W91-F130 HydrophobicContact CE3-CD1 4.29Å; W91-F130 AromaticContact CE3-CE1 3.91Å; W91-F130 HydrophobicContact CE3-CE1 3.91Å; W91-F130 HydrophobicContact CG-CD1 4.1Å; W91-F130 HydrophobicContact CG-CE1 4.44Å; W91-F130 AromaticContact CH2-CE1 3.87Å; W91-F130 HydrophobicContact CH2-CE1 3.87Å; W91-F130 AromaticContact CZ2-CE1 3.74Å; W91-F130 HydrophobicContact CZ2-CE1 3.74Å; W91-F130 AromaticContact CZ3-CE1 3.93Å; W91-F130 HydrophobicContact CZ3-CE1 3.93Å; V118-F130 HydrophobicContact CB-CE1 4.49Å; V118-F130 HydrophobicContact CG1-CD1 4.03Å; V118-F130 HydrophobicContact CG1-CD2 4.02Å; V118-F130 HydrophobicContact CG1-CE1 3.82Å; V118-F130 HydrophobicContact CG1-CE2 3.82Å; V118-F130 HydrophobicContact CG1-CG 4.12Å; V118-F130 HydrophobicContact CG1-CZ 3.71Å; V118-F130 HydrophobicContact CG2-CD1 4.44Å; V118-F130 HydrophobicContact CG2-CE1 3.81Å; V118-F130 HydrophobicContact CG2-CZ 4.13Å; S126-F130 WeakPolarHBondContact O-CB 3.44Å; S126-F130 PolarHBondContact O-N 3.16Å; A127-F130 PolarHBondContact O-N 3.32Å; F130-I132 VanDerWaalsContact C-N 3.3Å; F130-I132 PolarHBondContact O-N 3.49Å; F130-E133 WeakPolarHBondContact O-CB 3.27Å; F130-E133 PolarHBondContact O-N 3.48Å; F130-V134 HydrophobicContact CD1-CG2 4.33Å; F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE1-CG2 3.94Å; F130-V134 HydrophobicContact CE2-CG2 3.83Å; F130-V134 HydrophobicContact CG-CG2 4.48Å; F130-V134 HydrophobicContact CZ-CG2 3.67Å; F130-V134 WeakPolarHBondContact O-CG2 3.47Å; F130-V134 PolarHBondContact O-N 2.89Å; F130-R143 HydrophobicContact CD2-CB 3.68Å; F130-R143 HydrophobicContact CE2-CB 4.24Å
131S95.6Very high91.3Very high0 Ų055 Ų550%031%0.308CS..Hα-helixtrans-59.9-38.6176.6-174.90000112.6W84 F87 A88 A127 F128 L129 Q135 Q159W84-S131 PolarHBondContact O-OG 2.93Å; F87-S131 WeakPolarHBondContact CB-OG 3.5Å; A88-S131 PolarHBondContact N-OG 2.76Å; A127-S131 WeakPolarHBondContact O-CB 3.48Å; A127-S131 PolarHBondContact O-N 2.81Å; F128-S131 PolarHBondContact O-N 3.02Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.06Å; S131-Q135 WeakPolarHBondContact O-CB 3.08Å; S131-Q135 PolarHBondContact O-N 2.89Å; S131-Q159 PolarHBondContact O-NE2 3.06Å; S131-Q159 PolarHBondContact OG-NE2 2.93Å; S131-Q159 VanDerWaalsContact OG-NE2 3.14Å
132I95.3Very high91.2Very high32 Ų3256.9 Ų56.916%0.16433%0.33CS..Hα-helixtrans-69-46.2174.4-67.1171.1000110.5W84 F128 L129 F130 V134 Q135 V136 I138W84-I132 HydrophobicContact CB-CG1 4.12Å; W84-I132 HydrophobicContact CD2-CD1 4.3Å; W84-I132 HydrophobicContact CD2-CG1 3.74Å; W84-I132 HydrophobicContact CE3-CD1 3.96Å; W84-I132 HydrophobicContact CE3-CG1 3.93Å; W84-I132 HydrophobicContact CG-CG1 3.82Å; W84-I132 HydrophobicContact CZ3-CD1 4.43Å; F128-I132 HydrophobicContact CD1-CD1 3.97Å; F128-I132 HydrophobicContact CE1-CD1 3.43Å; F128-I132 VanDerWaalsContact CE1-CD1 3.43Å; F128-I132 HydrophobicContact CE1-CG1 4.49Å; F128-I132 HydrophobicContact CE2-CD1 4.26Å; F128-I132 HydrophobicContact CZ-CD1 3.6Å; F128-I132 HydrophobicContact CZ-CG1 4.39Å; F128-I132 WeakPolarHBondContact O-CG1 3.34Å; F128-I132 PolarHBondContact O-N 3.47Å; L129-I132 PolarHBondContact O-N 2.91Å; F130-I132 VanDerWaalsContact C-N 3.3Å; F130-I132 PolarHBondContact O-N 3.49Å; I132-V134 PolarHBondContact O-N 2.97Å; I132-Q135 PolarHBondContact O-N 3.34Å; I132-V136 HydrophobicContact CG2-CG2 4.2Å; I132-V136 WeakPolarHBondContact O-CB 3.39Å; I132-V136 PolarHBondContact O-N 2.94Å; I132-I138 HydrophobicContact CG2-CD1 4.33Å
133E94.4Very high91.5Very high10 Ų1052 Ų525%0.04731%0.312CS..Hα-helixtrans-55.5-41-180-73.4174.6-137.100111.7L129 F130 T137 I138 G139 F140 R143L129-E133 VanDerWaalsContact O-CG 3.29Å; L129-E133 WeakPolarHBondContact O-CG 3.43Å; L129-E133 PolarHBondContact O-N 3.35Å; F130-E133 WeakPolarHBondContact O-CB 3.27Å; F130-E133 PolarHBondContact O-N 3.48Å; E133-T137 CarbonylContact O-C 3.48Å; E133-T137 WeakPolarHBondContact O-CA 3.4Å; E133-T137 PolarHBondContact O-N 2.91Å; E133-I138 PolarHBondContact O-N 3.03Å; E133-G139 PolarHBondContact O-N 2.88Å; E133-F140 HydrophobicContact CG-CD2 3.63Å; E133-F140 HydrophobicContact CG-CE2 4.11Å; E133-R143 IonicContact OE1-NH1 2.98Å; E133-R143 PolarHBondContact OE1-NH1 3.33Å; E133-R143 VanDerWaalsContact OE1-NH1 3.11Å
134V94.1Very high91.5Very high20 Ų2055.6 Ų55.612%0.12132%0.324CS..Hα-helixtrans-72.8-55.3177.2171.20000111.5F130 I132 V136 T137 L156 Q159F130-V134 HydrophobicContact CD1-CG2 4.33Å; F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE1-CG2 3.94Å; F130-V134 HydrophobicContact CE2-CG2 3.83Å; F130-V134 HydrophobicContact CG-CG2 4.48Å; F130-V134 HydrophobicContact CZ-CG2 3.67Å; F130-V134 WeakPolarHBondContact O-CG2 3.47Å; F130-V134 PolarHBondContact O-N 2.89Å; I132-V134 PolarHBondContact O-N 2.97Å; V134-V136 PolarHBondContact O-N 3.37Å; V134-T137 PolarHBondContact O-N 2.85Å; V134-L156 HydrophobicContact CB-CD1 4.44Å; V134-L156 HydrophobicContact CG1-CD1 3.35Å; V134-L156 HydrophobicContact CG2-CD1 4.19Å; V134-Q159 HydrophobicContact CG1-CG 4.26Å
135Q94.9Very high91.3Very high21 Ų2153.7 Ų53.710%0.09832%0.317CS..Hα-helixtrans-70.3-34.1-170.1-167.4170.7-26.700113.6S83 S131 I132 T137 Q159S83-Q135 PolarHBondContact OG-NE2 3.32Å; S131-Q135 WeakPolarHBondContact O-CB 3.08Å; S131-Q135 PolarHBondContact O-N 2.89Å; I132-Q135 PolarHBondContact O-N 3.34Å; Q135-T137 VanDerWaalsContact C-N 3.29Å; Q135-Q159 HydrophobicContact CB-CG 4.34Å
136V94.2Very high91.1Very high67 Ų6750.6 Ų50.641%0.40630%0.298SS..THydrogen-bonded Turntrans-89.2-2.7175.1-173.20000110.8W84 I132 V134 I138W84-V136 HydrophobicContact CZ2-CG2 3.65Å; I132-V136 HydrophobicContact CG2-CG2 4.2Å; I132-V136 WeakPolarHBondContact O-CB 3.39Å; I132-V136 PolarHBondContact O-N 2.94Å; V134-V136 PolarHBondContact O-N 3.37Å; V136-I138 VanDerWaalsContact C-N 3.31Å; V136-I138 HydrophobicContact CB-CD1 4.31Å; V136-I138 HydrophobicContact CB-CG1 4.13Å; V136-I138 HydrophobicContact CG1-CD1 4.24Å; V136-I138 HydrophobicContact CG1-CG1 4.02Å; V136-I138 PolarHBondContact O-N 3.2Å
137T93.8Very high90.9Very high116 Ų11657.9 Ų57.971%0.71233%0.331SS*.THydrogen-bonded Turntrans58.637.7178.664.70000113.7E133 V134 Q135E133-T137 CarbonylContact O-C 3.48Å; E133-T137 WeakPolarHBondContact O-CA 3.4Å; E133-T137 PolarHBondContact O-N 2.91Å; V134-T137 PolarHBondContact O-N 2.85Å; Q135-T137 VanDerWaalsContact C-N 3.29Å
138I94.8Very high90.5Very high81 Ų8162.7 Ų62.742%0.41535%0.353SS..  trans-76.7-49176.5-57171.6000110.2I132 E133 V136 F140I132-I138 HydrophobicContact CG2-CD1 4.33Å; E133-I138 PolarHBondContact O-N 3.03Å; V136-I138 VanDerWaalsContact C-N 3.31Å; V136-I138 HydrophobicContact CB-CD1 4.31Å; V136-I138 HydrophobicContact CB-CG1 4.13Å; V136-I138 HydrophobicContact CG1-CD1 4.24Å; V136-I138 HydrophobicContact CG1-CG1 4.02Å; V136-I138 PolarHBondContact O-N 3.2Å; I138-F140 HydrophobicContact CG2-CD1 3.86Å; I138-F140 HydrophobicContact CG2-CD2 4.15Å; I138-F140 HydrophobicContact CG2-CE1 3.48Å; I138-F140 VanDerWaalsContact CG2-CE1 3.48Å; I138-F140 HydrophobicContact CG2-CE2 3.79Å; I138-F140 HydrophobicContact CG2-CG 4.18Å; I138-F140 HydrophobicContact CG2-CZ 3.45Å; I138-F140 VanDerWaalsContact CG2-CZ 3.45Å
139G87.1Confident90.2Very high54 Ų5460.9 Ų60.956%0.55735%0.346SS*.  trans53.365.5175.700000114.9E133 G141E133-G139 PolarHBondContact O-N 2.88Å; G139-G141 PolarHBondContact O-N 3.09Å; G139-G141 VanDerWaalsContact O-N 3.08Å
140F87.8Confident90Very high154 Ų15461.7 Ų61.768%0.67536%0.356SS*.  trans-62.8-17.5-179.2-67.3-60.7000113.9E133 I138 G142E133-F140 HydrophobicContact CG-CD2 3.63Å; E133-F140 HydrophobicContact CG-CE2 4.11Å; I138-F140 HydrophobicContact CG2-CD1 3.86Å; I138-F140 HydrophobicContact CG2-CD2 4.15Å; I138-F140 HydrophobicContact CG2-CE1 3.48Å; I138-F140 VanDerWaalsContact CG2-CE1 3.48Å; I138-F140 HydrophobicContact CG2-CE2 3.79Å; I138-F140 HydrophobicContact CG2-CG 4.18Å; I138-F140 HydrophobicContact CG2-CZ 3.45Å; I138-F140 VanDerWaalsContact CG2-CZ 3.45Å; F140-G142 VanDerWaalsContact C-N 3.27Å; F140-G142 PolarHBondContact O-N 2.94Å
141G83.3Confident89.9Confident58 Ų5866.4 Ų66.460%0.59838%0.381SS*.SBendtrans82.7-7.217600000115G139 R143G139-G141 PolarHBondContact O-N 3.09Å; G139-G141 VanDerWaalsContact O-N 3.08Å; G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 2.85Å
142G83.1Confident89.7Confident51 Ų5166.4 Ų66.453%0.52638%0.381SS..SBendtrans-73-17.8173.200000114.1F140F140-G142 VanDerWaalsContact C-N 3.27Å; F140-G142 PolarHBondContact O-N 2.94Å
143R86.8Confident89.6Confident62 Ų6268.1 Ų68.123%0.23439%0.39CS..SBendtrans-126.8122.9172.4-63.7178.5-176.783.99107.6V118 C120 F130 E133 G141V118-R143 HydrophobicContact CG1-CB 4.44Å; C120-R143 HydrophobicContact CB-CG 4.32Å; F130-R143 HydrophobicContact CD2-CB 3.68Å; F130-R143 HydrophobicContact CE2-CB 4.24Å; E133-R143 IonicContact OE1-NH1 2.98Å; E133-R143 PolarHBondContact OE1-NH1 3.33Å; E133-R143 VanDerWaalsContact OE1-NH1 3.11Å; G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 2.85Å
144M87Confident89.5Confident131 Ų13171.9 Ų71.965%0.64541%0.414SS*.  trans-131.5141.4-174.7-173.9167.4171.700110.1V118 T119V118-M144 WeakPolarHBondContact CA-O 3.22Å; T119-M144 PolarHBondContact N-O 2.72Å; T119-M144 PolarHBondContact OG1-N 3.46Å; T119-M144 PolarHBondContact OG1-O 3.3Å
145M88.3Confident89.5Confident36 Ų3671.4 Ų71.418%0.17741%0.411CS..BIsolated β-bridgetrans-76.7139.5175.4-17974.1-15500110.1W91 V118 A152 I153 L156W91-M145 HydrophobicContact CH2-SD 3.71Å; W91-M145 HydrophobicContact CZ3-SD 3.86Å; V118-M145 HydrophobicContact CG2-SD 3.96Å; M145-A152 HydrophobicContact CE-CB 3.12Å; M145-A152 HydrophobicContact SD-CB 3.83Å; M145-I153 HydrophobicContact CE-CG1 3.73Å; M145-L156 HydrophobicContact CG-CD2 4.42Å
146T87.1Confident89.5Confident27 Ų2772.4 Ų72.417%0.16642%0.417CS..  trans-109.4163.2173.965.90000111.5P116 C117 T119 E148P116-T146 WeakPolarHBondContact O-CB 3.45Å; P116-T146 WeakPolarHBondContact O-CG2 3.44Å; P116-T146 PolarHBondContact O-OG1 3.46Å; C117-T146 WeakPolarHBondContact CA-OG1 3.23Å; C117-T146 PolarHBondContact O-N 2.73Å; C117-T146 PolarHBondContact O-OG1 3.16Å; T119-T146 HydrophobicContact CG2-CG2 4.32Å; T146-E148 VanDerWaalsContact C-N 3.3Å; T146-E148 PolarHBondContact O-N 3.07Å
147E86.7Confident89.6Confident161 Ų16173.7 Ų73.775%0.75242%0.42SS*.THydrogen-bonded Turntrans-77.9-5.8-179.358.8-92.7-149.500115.3C149E147-C149 VanDerWaalsContact C-N 3.35Å; E147-C149 PolarHBondContact O-N 2.79Å
148E84.8Confident89.7Confident101 Ų10172.8 Ų72.847%0.47241%0.411SS..THydrogen-bonded Turntrans-66-34.5-172.1-65-68.8172.400113.8T115 T146 P150T115-E148 WeakPolarHBondContact CB-OE1 3.22Å; T115-E148 WeakPolarHBondContact OG1-CG 3.46Å; T115-E148 PolarHBondContact OG1-OE1 2.69Å; T146-E148 VanDerWaalsContact C-N 3.3Å; T146-E148 PolarHBondContact O-N 3.07Å; E148-P150 VanDerWaalsContact O-CD 3.31Å; E148-P150 WeakPolarHBondContact O-CD 3.16Å
149C87.1Confident89.8Confident9 Ų968.9 Ų68.96%0.06139%0.391CS..  trans-113.399.5-169.4-550000111.7H98 C117 E147 L151 A152 I153H98-C149 VanDerWaalsContact CD2-SG 3.59Å; H98-C149 PolarHBondContact NE2-SG 2.96Å; C117-C149 VanDerWaalsContact CA-SG 3.56Å; C117-C149 HydrophobicContact CB-CB 3.64Å; C117-C149 WeakPolarHBondContact CB-SG 3.4Å; C117-C149 WeakPolarHBondContact SG-CB 3.21Å; C117-C149 CovalentContact SG-SG 2.03Å; C117-C149 PolarHBondContact SG-SG 3.38Å; E147-C149 VanDerWaalsContact C-N 3.35Å; E147-C149 PolarHBondContact O-N 2.79Å; C149-L151 PolarHBondContact O-N 2.98Å; C149-A152 HydrophobicContact CB-CB 3.87Å; C149-A152 WeakPolarHBondContact O-CB 3.19Å; C149-A152 PolarHBondContact O-N 3.34Å; C149-A152 VanDerWaalsContact O-N 3.1Å; C149-I153 PolarHBondContact O-N 3.26Å
150P90.1Very high90.2Very high93 Ų9369.1 Ų69.160%0.60438%0.379SS*.Hα-helixtrans-61.1-30.8178.3-24.933.8000113.8E148 A152 I153 T154E148-P150 VanDerWaalsContact O-CD 3.31Å; E148-P150 WeakPolarHBondContact O-CD 3.16Å; P150-A152 VanDerWaalsContact C-N 3.33Å; P150-A152 PolarHBondContact O-N 3.24Å; P150-I153 PolarHBondContact O-N 3.28Å; P150-T154 PolarHBondContact O-N 2.84Å; P150-T154 PolarHBondContact O-OG1 3Å
151L91.1Very high90.6Very high110 Ų11066.1 Ų66.158%0.57637%0.369SS*.Hα-helixtrans-61.8-42.7176.2-177.265.6000111.2V94 C149 I153 T154 V155V94-L151 HydrophobicContact CG2-CD2 3.96Å; V94-L151 HydrophobicContact CG2-CG 4.24Å; C149-L151 PolarHBondContact O-N 2.98Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 PolarHBondContact O-N 2.81Å; L151-T154 WeakPolarHBondContact O-CB 3.06Å; L151-T154 PolarHBondContact O-N 3.44Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.09Å
152A91.1Very high91.2Very high0 Ų065.8 Ų65.80%036%0.355CS..Hα-helixtrans-66.1-37.2178.500000111.6W91 V94 C117 M145 C149 P150 T154 V155 L156W91-A152 HydrophobicContact CH2-CB 4.18Å; W91-A152 VanDerWaalsContact CH2-O 3.27Å; W91-A152 WeakPolarHBondContact CH2-O 3.36Å; W91-A152 HydrophobicContact CZ3-CB 3.72Å; V94-A152 HydrophobicContact CG1-CB 4.01Å; C117-A152 HydrophobicContact CB-CB 4.21Å; M145-A152 HydrophobicContact CE-CB 3.12Å; M145-A152 HydrophobicContact SD-CB 3.83Å; C149-A152 HydrophobicContact CB-CB 3.87Å; C149-A152 WeakPolarHBondContact O-CB 3.19Å; C149-A152 PolarHBondContact O-N 3.34Å; C149-A152 VanDerWaalsContact O-N 3.1Å; P150-A152 VanDerWaalsContact C-N 3.33Å; P150-A152 PolarHBondContact O-N 3.24Å; A152-T154 VanDerWaalsContact C-N 3.31Å; A152-T154 PolarHBondContact O-N 3.39Å; A152-V155 PolarHBondContact O-N 2.87Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 PolarHBondContact O-N 3.45Å
153I93.5Very high91.8Very high69 Ų6963.6 Ų63.635%0.35433%0.333SS..Hα-helixtrans-63.4-40.8174.1-60.4173.8000110.1M145 C149 P150 L151 L156 I157M145-I153 HydrophobicContact CE-CG1 3.73Å; C149-I153 PolarHBondContact O-N 3.26Å; P150-I153 PolarHBondContact O-N 3.28Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 PolarHBondContact O-N 2.81Å; I153-L156 WeakPolarHBondContact O-CB 3.44Å; I153-L156 PolarHBondContact O-N 3.23Å; I153-I157 HydrophobicContact CG2-CD1 4.02Å; I153-I157 VanDerWaalsContact O-CG1 3.32Å; I153-I157 WeakPolarHBondContact O-CG1 3.08Å; I153-I157 PolarHBondContact O-N 3.29Å
154T93.1Very high92.2Very high88 Ų8866.2 Ų66.254%0.5435%0.351SS..Hα-helixtrans-66.2-42.6178.1-53.70000111.5P150 L151 A152 L156 I157 L158P150-T154 PolarHBondContact O-N 2.84Å; P150-T154 PolarHBondContact O-OG1 3Å; L151-T154 WeakPolarHBondContact O-CB 3.06Å; L151-T154 PolarHBondContact O-N 3.44Å; A152-T154 VanDerWaalsContact C-N 3.31Å; A152-T154 PolarHBondContact O-N 3.39Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 2.73Å; T154-I157 PolarHBondContact O-N 2.95Å; T154-L158 WeakPolarHBondContact O-CB 3.48Å; T154-L158 PolarHBondContact O-N 2.73Å
155V94.4Very high92.6Very high10 Ų1064.8 Ų64.86%0.06135%0.345CS..Hα-helixtrans-61.5-42.2174.5171.40000111M90 W91 V94 L151 A152 L158 Q159M90-V155 HydrophobicContact CB-CG1 4.34Å; M90-V155 HydrophobicContact CE-CG2 4.47Å; W91-V155 HydrophobicContact CD2-CG1 4.32Å; W91-V155 HydrophobicContact CZ2-CB 4.44Å; W91-V155 HydrophobicContact CZ2-CG1 3.97Å; V94-V155 HydrophobicContact CG2-CG2 4.34Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.09Å; A152-V155 PolarHBondContact O-N 2.87Å; V155-L158 PolarHBondContact O-N 3.44Å; V155-Q159 VanDerWaalsContact O-CB 3.24Å; V155-Q159 WeakPolarHBondContact O-CB 3.35Å; V155-Q159 PolarHBondContact O-N 2.93Å
156L94.8Very high92.9Very high43 Ų4364.9 Ų64.923%0.22535%0.346CS..Hα-helixtrans-59-48.3175.3176.763.1000111.9W91 V134 M145 A152 I153 T154 Q159 N160W91-L156 HydrophobicContact CH2-CB 4.12Å; W91-L156 HydrophobicContact CZ2-CB 4Å; W91-L156 HydrophobicContact CZ2-CD1 4.48Å; V134-L156 HydrophobicContact CB-CD1 4.44Å; V134-L156 HydrophobicContact CG1-CD1 3.35Å; V134-L156 HydrophobicContact CG2-CD1 4.19Å; M145-L156 HydrophobicContact CG-CD2 4.42Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 PolarHBondContact O-N 3.45Å; I153-L156 WeakPolarHBondContact O-CB 3.44Å; I153-L156 PolarHBondContact O-N 3.23Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 2.73Å; L156-Q159 PolarHBondContact O-N 3Å; L156-N160 PolarHBondContact O-N 3.34Å; L156-N160 PolarHBondContact O-ND2 3.47Å; L156-N160 VanDerWaalsContact O-ND2 3.11Å
157I95.5Very high93.2Very high93 Ų9367.6 Ų67.648%0.47736%0.359SS..Hα-helixtrans-61.2-47.8178.3-67.3164.9000110.5I153 T154 Q159 N160 I161I153-I157 HydrophobicContact CG2-CD1 4.02Å; I153-I157 VanDerWaalsContact O-CG1 3.32Å; I153-I157 WeakPolarHBondContact O-CG1 3.08Å; I153-I157 PolarHBondContact O-N 3.29Å; T154-I157 PolarHBondContact O-N 2.95Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 3.35Å; I157-N160 PolarHBondContact O-N 2.88Å; I157-I161 HydrophobicContact CG2-CD1 3.86Å; I157-I161 WeakPolarHBondContact O-CG1 3.45Å; I157-I161 PolarHBondContact O-N 3.26Å
158L95.9Very high93.5Very high97 Ų9763 Ų6351%0.50835%0.349SS..Hα-helixtrans-60.8-44178.6-179.164.6000111.7F87 T154 V155 N160 I161 V162F87-L158 HydrophobicContact CE1-CG 4.49Å; T154-L158 WeakPolarHBondContact O-CB 3.48Å; T154-L158 PolarHBondContact O-N 2.73Å; V155-L158 PolarHBondContact O-N 3.44Å; L158-N160 VanDerWaalsContact C-N 3.35Å; L158-N160 PolarHBondContact O-N 3.34Å; L158-I161 PolarHBondContact O-N 3.11Å; L158-V162 HydrophobicContact CD1-CG2 4.11Å; L158-V162 HydrophobicContact CG-CG2 4.44Å; L158-V162 WeakPolarHBondContact O-CB 3.36Å; L158-V162 WeakPolarHBondContact O-CG2 2.81Å; L158-V162 PolarHBondContact O-N 2.98Å
159Q96.4Very high93.9Very high0 Ų062 Ų620%035%0.349CS..Hα-helixtrans-60.9-43.5178.1-178.5172.98.100112.1F87 S131 V134 Q135 V155 L156 I157 G163F87-Q159 HydrophobicContact CB-CG 4.24Å; F87-Q159 HydrophobicContact CD1-CB 3.65Å; F87-Q159 HydrophobicContact CD1-CG 3.82Å; F87-Q159 HydrophobicContact CD2-CB 4.39Å; F87-Q159 HydrophobicContact CD2-CG 3.8Å; F87-Q159 HydrophobicContact CE1-CB 3.62Å; F87-Q159 HydrophobicContact CE1-CG 4.1Å; F87-Q159 HydrophobicContact CE2-CB 4.37Å; F87-Q159 HydrophobicContact CE2-CG 4.09Å; F87-Q159 HydrophobicContact CG-CB 4.07Å; F87-Q159 HydrophobicContact CG-CG 3.68Å; F87-Q159 HydrophobicContact CZ-CB 4.01Å; F87-Q159 HydrophobicContact CZ-CG 4.24Å; S131-Q159 PolarHBondContact O-NE2 3.06Å; S131-Q159 PolarHBondContact OG-NE2 2.93Å; S131-Q159 VanDerWaalsContact OG-NE2 3.14Å; V134-Q159 HydrophobicContact CG1-CG 4.26Å; Q135-Q159 HydrophobicContact CB-CG 4.34Å; V155-Q159 VanDerWaalsContact O-CB 3.24Å; V155-Q159 WeakPolarHBondContact O-CB 3.35Å; V155-Q159 PolarHBondContact O-N 2.93Å; L156-Q159 PolarHBondContact O-N 3Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 3.35Å; Q159-G163 WeakPolarHBondContact O-CA 2.9Å; Q159-G163 PolarHBondContact O-N 3Å
160N95.7Very high94.1Very high58 Ų5863.3 Ų63.331%0.3136%0.355SS..Hα-helixtrans-64.1-45.2177.4-74.2-36.5000111.6L156 I157 L158 G163 L164L156-N160 PolarHBondContact O-N 3.34Å; L156-N160 PolarHBondContact O-ND2 3.47Å; L156-N160 VanDerWaalsContact O-ND2 3.11Å; I157-N160 PolarHBondContact O-N 2.88Å; L158-N160 VanDerWaalsContact C-N 3.35Å; L158-N160 PolarHBondContact O-N 3.34Å; N160-G163 PolarHBondContact O-N 3.26Å; N160-L164 WeakPolarHBondContact O-CB 3.33Å; N160-L164 WeakPolarHBondContact O-CG 3.34Å; N160-L164 PolarHBondContact O-N 3.25Å
161I96.5Very high94.2Very high92 Ų9264.3 Ų64.347%0.47236%0.355SS..Hα-helixtrans-62.1-50.6178.8-66.3168.2000110.8I157 L158 G163 L164 I165I157-I161 HydrophobicContact CG2-CD1 3.86Å; I157-I161 WeakPolarHBondContact O-CG1 3.45Å; I157-I161 PolarHBondContact O-N 3.26Å; L158-I161 PolarHBondContact O-N 3.11Å; I161-G163 PolarHBondContact O-N 3.47Å; I161-L164 PolarHBondContact O-N 2.76Å; I161-I165 HydrophobicContact CG2-CD1 3.95Å; I161-I165 WeakPolarHBondContact O-CG1 3.31Å; I161-I165 PolarHBondContact O-N 2.76Å
162V95.6Very high94.3Very high50 Ų5060.6 Ų60.630%0.30334%0.343SS..Hα-helixtrans-64.5-41.8-179.81730000111.1F87 L158 L164 I165 I166F87-V162 HydrophobicContact CE2-CB 4.26Å; F87-V162 HydrophobicContact CE2-CG1 4.08Å; F87-V162 HydrophobicContact CZ-CB 4.03Å; F87-V162 HydrophobicContact CZ-CG1 4.2Å; F87-V162 HydrophobicContact CZ-CG2 4.35Å; L158-V162 HydrophobicContact CD1-CG2 4.11Å; L158-V162 HydrophobicContact CG-CG2 4.44Å; L158-V162 WeakPolarHBondContact O-CB 3.36Å; L158-V162 WeakPolarHBondContact O-CG2 2.81Å; L158-V162 PolarHBondContact O-N 2.98Å; V162-L164 PolarHBondContact O-N 3.39Å; V162-I165 PolarHBondContact O-N 3.44Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.39Å; V162-I166 WeakPolarHBondContact O-CG1 3.26Å; V162-I166 PolarHBondContact O-N 2.88Å
163G95.6Very high94.3Very high5 Ų560.7 Ų60.75%0.05234%0.343CS..Hα-helixtrans-59.6-44.917700000112.6Q159 N160 I161 I166 N167Q159-G163 WeakPolarHBondContact O-CA 2.9Å; Q159-G163 PolarHBondContact O-N 3Å; N160-G163 PolarHBondContact O-N 3.26Å; I161-G163 PolarHBondContact O-N 3.47Å; G163-I166 PolarHBondContact O-N 3.48Å; G163-N167 WeakPolarHBondContact O-CB 3.12Å; G163-N167 PolarHBondContact O-N 3.16Å
164L95.6Very high94.2Very high118 Ų11859.8 Ų59.862%0.61834%0.339SS*.Hα-helixtrans-63.6-41.8176.2-72.8171.7000112.1N160 I161 V162 N167 A168N160-L164 WeakPolarHBondContact O-CB 3.33Å; N160-L164 WeakPolarHBondContact O-CG 3.34Å; N160-L164 PolarHBondContact O-N 3.25Å; I161-L164 PolarHBondContact O-N 2.76Å; V162-L164 PolarHBondContact O-N 3.39Å; L164-N167 PolarHBondContact O-N 2.94Å; L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.3Å; L164-A168 PolarHBondContact O-N 2.83Å
165I95.4Very high94.1Very high101 Ų10162.3 Ų62.352%0.51834%0.343SS..Hα-helixtrans-62.4-48.6177.1-68.8167.2000110.7I161 V162 N167 A168 V169I161-I165 HydrophobicContact CG2-CD1 3.95Å; I161-I165 WeakPolarHBondContact O-CG1 3.31Å; I161-I165 PolarHBondContact O-N 2.76Å; V162-I165 PolarHBondContact O-N 3.44Å; I165-N167 VanDerWaalsContact C-N 3.31Å; I165-N167 PolarHBondContact O-N 2.92Å; I165-A168 PolarHBondContact O-N 3.36Å; I165-V169 HydrophobicContact CG2-CG2 4.45Å; I165-V169 WeakPolarHBondContact O-CG2 3.43Å; I165-V169 PolarHBondContact O-N 3.31Å
166I94Very high93.9Very high37 Ų3766 Ų6619%0.1936%0.36CS..Hα-helixtrans-59.7-45.1178.6-67.6169.4000110.3F80 V162 G163 V169 M170F80-I166 HydrophobicContact CD1-CG2 4.32Å; F80-I166 HydrophobicContact CE1-CG2 4.01Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.39Å; V162-I166 WeakPolarHBondContact O-CG1 3.26Å; V162-I166 PolarHBondContact O-N 2.88Å; G163-I166 PolarHBondContact O-N 3.48Å; I166-V169 PolarHBondContact O-N 2.91Å; I166-M170 WeakPolarHBondContact O-CB 3.29Å; I166-M170 PolarHBondContact O-N 3.47Å
167N93.9Very high93.7Very high85 Ų8564.6 Ų64.646%0.45535%0.352SS..Hα-helixtrans-62.9-44.7178.9-170.435.5000111.9G163 L164 I165 M170 L171G163-N167 WeakPolarHBondContact O-CB 3.12Å; G163-N167 PolarHBondContact O-N 3.16Å; L164-N167 PolarHBondContact O-N 2.94Å; I165-N167 VanDerWaalsContact C-N 3.31Å; I165-N167 PolarHBondContact O-N 2.92Å; N167-M170 PolarHBondContact O-N 2.85Å; N167-L171 WeakPolarHBondContact O-CB 3.37Å; N167-L171 PolarHBondContact O-N 3.48Å
168A94.3Very high93.3Very high65 Ų6563.3 Ų63.354%0.53735%0.349SS..Hα-helixtrans-62.7-45.7178.400000112.2L164 I165 M170 L171 G172L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.3Å; L164-A168 PolarHBondContact O-N 2.83Å; I165-A168 PolarHBondContact O-N 3.36Å; A168-M170 PolarHBondContact O-N 3.03Å; A168-L171 PolarHBondContact O-N 3.38Å; A168-G172 PolarHBondContact O-N 2.62Å
169V92.2Very high92.7Very high78 Ų7859.9 Ų59.947%0.47334%0.335SS..Hα-helixtrans-62.1-44.6177.3171.50000110.8I165 I166 G172 C173I165-V169 HydrophobicContact CG2-CG2 4.45Å; I165-V169 WeakPolarHBondContact O-CG2 3.43Å; I165-V169 PolarHBondContact O-N 3.31Å; I166-V169 PolarHBondContact O-N 2.91Å; V169-G172 PolarHBondContact O-N 3.11Å; V169-C173 WeakPolarHBondContact O-CB 3.32Å; V169-C173 PolarHBondContact O-N 3.06Å; V169-C173 PolarHBondContact O-SG 3.38Å
170M91.7Very high91.9Very high37 Ų3763.4 Ų63.418%0.18235%0.351CS..Hα-helixtrans-64.5-47179.1177.2166165.600112.1F76 F80 I166 N167 A168 G172 C173 I174F76-M170 HydrophobicContact CB-CE 3.59Å; F76-M170 HydrophobicContact CB-SD 3.66Å; F76-M170 HydrophobicContact CD1-CB 4.37Å; F76-M170 HydrophobicContact CD1-CG 3.81Å; F76-M170 HydrophobicContact CD1-SD 3.86Å; F76-M170 HydrophobicContact CD2-CE 3.72Å; F76-M170 HydrophobicContact CD2-CG 4.03Å; F76-M170 HydrophobicContact CD2-SD 4.1Å; F76-M170 HydrophobicContact CE1-CB 4.24Å; F76-M170 HydrophobicContact CE1-CG 3.86Å; F76-M170 HydrophobicContact CE2-CG 4.08Å; F76-M170 HydrophobicContact CG-CE 3.73Å; F76-M170 HydrophobicContact CG-CG 3.91Å; F76-M170 HydrophobicContact CG-SD 3.63Å; F76-M170 HydrophobicContact CZ-CG 4.02Å; F80-M170 HydrophobicContact CD2-CE 4.49Å; F80-M170 HydrophobicContact CD2-SD 3.98Å; F80-M170 HydrophobicContact CE2-CE 3.76Å; F80-M170 HydrophobicContact CE2-SD 3.15Å; F80-M170 WeakPolarHBondContact CE2-SD 3.47Å; F80-M170 HydrophobicContact CZ-SD 3.7Å; I166-M170 WeakPolarHBondContact O-CB 3.29Å; I166-M170 PolarHBondContact O-N 3.47Å; N167-M170 PolarHBondContact O-N 2.85Å; A168-M170 PolarHBondContact O-N 3.03Å; M170-G172 VanDerWaalsContact C-N 3.3Å; M170-G172 PolarHBondContact O-N 3.3Å; M170-C173 PolarHBondContact O-N 2.77Å; M170-I174 HydrophobicContact CE-CD1 3.66Å; M170-I174 HydrophobicContact CG-CD1 3.75Å; M170-I174 HydrophobicContact CG-CG1 4.37Å; M170-I174 WeakPolarHBondContact O-CG1 3.36Å; M170-I174 PolarHBondContact O-N 3.22Å
171L92.8Very high90.5Very high114 Ų11461.2 Ų61.260%0.59734%0.341SS*.Hα-helixtrans-60.5-42.6177.8-175.562.1000111N167 A168 I174 F175N167-L171 WeakPolarHBondContact O-CB 3.37Å; N167-L171 PolarHBondContact O-N 3.48Å; A168-L171 PolarHBondContact O-N 3.38Å; L171-I174 PolarHBondContact O-N 3.32Å; L171-F175 VanDerWaalsContact O-CB 3.26Å; L171-F175 WeakPolarHBondContact O-CB 3.42Å; L171-F175 PolarHBondContact O-N 3.46Å
172G92.9Very high89.2Confident32 Ų3263.2 Ų63.233%0.3335%0.348SS..Hα-helixtrans-61.1-44.4174.900000112.9A168 V169 M170 F175 M176A168-G172 PolarHBondContact O-N 2.62Å; V169-G172 PolarHBondContact O-N 3.11Å; M170-G172 VanDerWaalsContact C-N 3.3Å; M170-G172 PolarHBondContact O-N 3.3Å; G172-F175 PolarHBondContact O-N 3.32Å; G172-M176 WeakPolarHBondContact O-CB 3.48Å; G172-M176 PolarHBondContact O-N 3.29Å
173C91.6Very high88Confident2 Ų268.8 Ų68.81%0.01436%0.363CS..Hα-helixtrans-64.4-44.5176.8-69.20000112.1F61 L64 F76 V169 M170 K177F61-C173 WeakPolarHBondContact CE2-SG 3.17Å; L64-C173 HydrophobicContact CD2-CB 4.49Å; F76-C173 HydrophobicContact CE1-CB 4.34Å; F76-C173 HydrophobicContact CZ-CB 3.74Å; V169-C173 WeakPolarHBondContact O-CB 3.32Å; V169-C173 PolarHBondContact O-N 3.06Å; V169-C173 PolarHBondContact O-SG 3.38Å; M170-C173 PolarHBondContact O-N 2.77Å; C173-K177 WeakPolarHBondContact O-CB 3.27Å; C173-K177 PolarHBondContact O-N 3.01Å
174I91.5Very high87.1Confident50 Ų5070.4 Ų70.426%0.25637%0.368SS..Hα-helixtrans-63.3-47.5177.7-68.8169.7000109.9F76 M170 L171 M176 K177 T178F76-I174 HydrophobicContact CD2-CD1 4.19Å; F76-I174 HydrophobicContact CD2-CG1 4.2Å; F76-I174 HydrophobicContact CE2-CD1 3.91Å; F76-I174 HydrophobicContact CE2-CG1 3.44Å; F76-I174 VanDerWaalsContact CE2-CG1 3.44Å; F76-I174 HydrophobicContact CZ-CG1 4.1Å; M170-I174 HydrophobicContact CE-CD1 3.66Å; M170-I174 HydrophobicContact CG-CD1 3.75Å; M170-I174 HydrophobicContact CG-CG1 4.37Å; M170-I174 WeakPolarHBondContact O-CG1 3.36Å; M170-I174 PolarHBondContact O-N 3.22Å; L171-I174 PolarHBondContact O-N 3.32Å; I174-M176 PolarHBondContact O-N 2.82Å; I174-K177 PolarHBondContact O-N 3.43Å; I174-T178 HydrophobicContact CG2-CG2 4.28Å; I174-T178 WeakPolarHBondContact O-CG2 3.25Å; I174-T178 PolarHBondContact O-N 3.09Å; I174-T178 PolarHBondContact O-OG1 3.49Å
175F90.9Very high86.4Confident142 Ų14265.7 Ų65.762%0.62335%0.346SS*.Hα-helixtrans-56.4-52.7177.9177.1-101.2000111L171 G172 K177 T178 A179L171-F175 VanDerWaalsContact O-CB 3.26Å; L171-F175 WeakPolarHBondContact O-CB 3.42Å; L171-F175 PolarHBondContact O-N 3.46Å; G172-F175 PolarHBondContact O-N 3.32Å; F175-K177 VanDerWaalsContact C-N 3.34Å; F175-K177 PolarHBondContact O-N 2.86Å; F175-T178 PolarHBondContact O-N 3.31Å; F175-T178 VanDerWaalsContact O-N 3.17Å; F175-T178 PolarHBondContact O-OG1 3.43Å; F175-A179 WeakPolarHBondContact O-CB 3.19Å; F175-A179 PolarHBondContact O-N 3.37Å
176M89.4Confident85.8Confident86 Ų8667.3 Ų67.342%0.42435%0.352SS..Hα-helixtrans-57-46.6177.4-174.661.471.300111.9V65 G172 I174 T178 A179 Q180V65-M176 HydrophobicContact CG1-CG 4Å; V65-M176 HydrophobicContact CG2-CB 4.35Å; V65-M176 HydrophobicContact CG2-CG 4.21Å; G172-M176 WeakPolarHBondContact O-CB 3.48Å; G172-M176 PolarHBondContact O-N 3.29Å; I174-M176 PolarHBondContact O-N 2.82Å; M176-T178 VanDerWaalsContact C-N 3.34Å; M176-T178 PolarHBondContact O-N 3.2Å; M176-A179 PolarHBondContact O-N 2.99Å; M176-A179 VanDerWaalsContact O-N 3.16Å; M176-Q180 PolarHBondContact O-N 3.25Å
177K89.8Confident85.5Confident14 Ų1467.1 Ų67.16%0.06135%0.352CS..Hα-helixtrans-63.6-36.9178.7-168.7-177-163.776.90113V65 L67 W69 T72 C173 I174 F175V65-K177 HydrophobicContact CG1-CB 4.29Å; V65-K177 PolarHBondContact O-NZ 2.97Å; L67-K177 PolarHBondContact O-NZ 2.75Å; W69-K177 HydrophobicContact CD2-CD 3.89Å; W69-K177 HydrophobicContact CE3-CD 3.94Å; W69-K177 HydrophobicContact CH2-CB 4.35Å; W69-K177 HydrophobicContact CH2-CD 3.76Å; W69-K177 HydrophobicContact CH2-CG 4.06Å; W69-K177 HydrophobicContact CZ2-CB 4.32Å; W69-K177 HydrophobicContact CZ2-CD 3.71Å; W69-K177 HydrophobicContact CZ2-CG 3.69Å; W69-K177 HydrophobicContact CZ3-CD 3.88Å; T72-K177 HydrophobicContact CG2-CD 4.05Å; T72-K177 WeakPolarHBondContact OG1-CE 3.22Å; T72-K177 PolarHBondContact OG1-NZ 3.37Å; C173-K177 WeakPolarHBondContact O-CB 3.27Å; C173-K177 PolarHBondContact O-N 3.01Å; I174-K177 PolarHBondContact O-N 3.43Å; F175-K177 VanDerWaalsContact C-N 3.34Å; F175-K177 PolarHBondContact O-N 2.86Å
178T87.3Confident85.4Confident67 Ų6763.5 Ų63.541%0.41133%0.333SS..Hα-helixtrans-72.5-32.1174.457.60000112.7W69 I174 F175 M176 Q180W69-T178 HydrophobicContact CH2-CG2 3.64Å; W69-T178 HydrophobicContact CZ2-CG2 3.97Å; I174-T178 HydrophobicContact CG2-CG2 4.28Å; I174-T178 WeakPolarHBondContact O-CG2 3.25Å; I174-T178 PolarHBondContact O-N 3.09Å; I174-T178 PolarHBondContact O-OG1 3.49Å; F175-T178 PolarHBondContact O-N 3.31Å; F175-T178 VanDerWaalsContact O-N 3.17Å; F175-T178 PolarHBondContact O-OG1 3.43Å; M176-T178 VanDerWaalsContact C-N 3.34Å; M176-T178 PolarHBondContact O-N 3.2Å; T178-Q180 VanDerWaalsContact C-N 3.34Å
179A83.8Confident85.4Confident25 Ų2562.4 Ų62.421%0.20732%0.318CS..Hα-helixtrans-73.3-25.4177.500000112.5F175 M176 A181 I302F175-A179 WeakPolarHBondContact O-CB 3.19Å; F175-A179 PolarHBondContact O-N 3.37Å; M176-A179 PolarHBondContact O-N 2.99Å; M176-A179 VanDerWaalsContact O-N 3.16Å; A179-A181 PolarHBondContact O-N 3.2Å; A179-I302 HydrophobicContact CB-CD1 4.05Å; A179-I302 WeakPolarHBondContact O-CD1 3.46Å
180Q79.9Confident85.6Confident74 Ų7460.2 Ų60.235%0.34630%0.302SS..  trans-52.5126177.7-80-170.8-21.400112.1V65 D66 M176 T178 H182V65-Q180 HydrophobicContact CG1-CG 4.31Å; V65-Q180 VanDerWaalsContact CG1-NE2 3.25Å; D66-Q180 PolarHBondContact OD1-NE2 3.14Å; M176-Q180 PolarHBondContact O-N 3.25Å; T178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-H182 PolarHBondContact O-N 3.22Å
181A65.3Low85.8Confident11 Ų1158.5 Ų58.59%0.09129%0.294CS..THydrogen-bonded Turntrans-82.215.4-173.700000114.2A179 R183 R184 A185 V297 I302A179-A181 PolarHBondContact O-N 3.2Å; A181-R183 PolarHBondContact O-N 3.33Å; A181-R183 VanDerWaalsContact O-N 3.15Å; A181-R184 HydrophobicContact CB-CB 4.33Å; A181-R184 HydrophobicContact CB-CG 4.3Å; A181-R184 WeakPolarHBondContact O-CA 3.46Å; A181-R184 VanDerWaalsContact O-CB 3.25Å; A181-R184 WeakPolarHBondContact O-CB 3.42Å; A181-R184 PolarHBondContact O-N 2.8Å; A181-A185 PolarHBondContact O-N 2.98Å; A181-V297 HydrophobicContact CB-CG2 4.27Å; A181-I302 HydrophobicContact CB-CG2 4.18Å
182H70.1Confident85.8Confident134 Ų13462.8 Ų62.862%0.6230%0.302SS*.Hα-helixtrans-56.2-38-176.5-171.3-78.5000112.4Q180 R184 A185Q180-H182 PolarHBondContact O-N 3.22Å; H182-R184 PolarHBondContact O-N 3.06Å; H182-A185 PolarHBondContact O-N 2.72Å
183R70.7Confident86Confident167 Ų16764.6 Ų64.663%0.6330%0.301SS*.Hα-helixtrans-66.2-19.3175.4-67.9-171.4-75.3-168.1-2.8113.8A181A181-R183 PolarHBondContact O-N 3.33Å; A181-R183 VanDerWaalsContact O-N 3.15Å
184R77Confident86.2Confident39 Ų3964.5 Ų64.515%0.14730%0.301CS..Hα-helixtrans-78.9-32.3175.1-63.6-65.2-167.5128.23.1111.9A181 H182 E186 T187 R213 S215 V297 T299A181-R184 HydrophobicContact CB-CB 4.33Å; A181-R184 HydrophobicContact CB-CG 4.3Å; A181-R184 WeakPolarHBondContact O-CA 3.46Å; A181-R184 VanDerWaalsContact O-CB 3.25Å; A181-R184 WeakPolarHBondContact O-CB 3.42Å; A181-R184 PolarHBondContact O-N 2.8Å; H182-R184 PolarHBondContact O-N 3.06Å; R184-E186 PolarHBondContact O-N 2.62Å; R184-T187 PolarHBondContact O-N 3.22Å; R184-T187 PolarHBondContact O-OG1 3.18Å; R184-R213 VanDerWaalsContact CZ-NH1 3.3Å; R184-S215 PolarHBondContact NH1-OG 2.97Å; R184-V297 HydrophobicContact CB-CG2 4.04Å; R184-V297 HydrophobicContact CG-CG1 4.22Å; R184-V297 HydrophobicContact CG-CG2 4.1Å; R184-T299 PolarHBondContact NH2-OG1 3.44Å
185A79.8Confident86.4Confident20 Ų2062.1 Ų62.117%0.16529%0.289CS..Hα-helixtrans-62.6-29.1173.600000112.1A181 H182 T187 L188 A306A181-A185 PolarHBondContact O-N 2.98Å; H182-A185 PolarHBondContact O-N 2.72Å; A185-T187 VanDerWaalsContact C-N 3.31Å; A185-T187 PolarHBondContact O-N 3.06Å; A185-L188 PolarHBondContact O-N 2.89Å; A185-A306 HydrophobicContact CB-CB 4.31Å
186E82.4Confident86.6Confident134 Ų13455.6 Ų55.663%0.62626%0.26SS*.THydrogen-bonded Turntrans-70.5-22.4177-64.717817400113.9R184R184-E186 PolarHBondContact O-N 2.62Å
187T88.4Confident86.9Confident33 Ų3351.8 Ų51.820%0.20224%0.242CC..THydrogen-bonded Turntrans-85.5-13.7177.263.50000113R184 A185 L212R184-T187 PolarHBondContact O-N 3.22Å; R184-T187 PolarHBondContact O-OG1 3.18Å; A185-T187 VanDerWaalsContact C-N 3.31Å; A185-T187 PolarHBondContact O-N 3.06Å; T187-L212 PolarHBondContact O-N 3.25Å; T187-L212 VanDerWaalsContact O-N 3.14Å
188L92.1Very high87Confident9 Ų953 Ų535%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-83.4113.9171.9-66170.1000108.6A185 D211 I217 L258 L293 T304 A306A185-L188 PolarHBondContact O-N 2.89Å; L188-D211 HydrophobicContact CD2-CB 3.93Å; L188-I217 HydrophobicContact CD2-CG1 4.13Å; L188-L258 HydrophobicContact CD2-CD2 4.01Å; L188-L293 HydrophobicContact CB-CD2 4.38Å; L188-L293 HydrophobicContact CD1-CD2 3.81Å; L188-L293 HydrophobicContact CD2-CD2 3.96Å; L188-L293 HydrophobicContact CG-CD2 4.26Å; L188-T304 HydrophobicContact CD1-CG2 4.43Å; L188-A306 HydrophobicContact CB-CB 3.83Å; L188-A306 HydrophobicContact CD1-CB 3.83Å; L188-A306 HydrophobicContact CG-CB 4.48Å
189I93.9Very high87.1Confident42 Ų4255.6 Ų55.622%0.21525%0.253CS..EExtended strand (participates in β ladder)trans-108142.5-174.958.2164.9000111.3V209 G210 L212 Y336 F339I189-V209 CarbonylContact O-C 3.55Å; I189-V209 WeakPolarHBondContact O-CA 3.45Å; I189-G210 WeakPolarHBondContact CG1-O 3.46Å; I189-G210 PolarHBondContact N-O 3.3Å; I189-G210 PolarHBondContact O-N 3.34Å; I189-L212 HydrophobicContact CD1-CD2 3.84Å; I189-L212 HydrophobicContact CD1-CG 4.07Å; I189-L212 HydrophobicContact CG1-CG 4.24Å; I189-L212 HydrophobicContact CG2-CD1 3.65Å; I189-L212 HydrophobicContact CG2-CG 4.07Å; I189-Y336 HydrophobicContact CD1-CD1 3.98Å; I189-Y336 HydrophobicContact CD1-CE1 4.07Å; I189-F339 HydrophobicContact CD1-CD1 4.16Å; I189-F339 HydrophobicContact CD1-CD2 4.06Å; I189-F339 HydrophobicContact CD1-CE1 3.94Å; I189-F339 HydrophobicContact CD1-CE2 3.81Å; I189-F339 HydrophobicContact CD1-CG 4.22Å; I189-F339 HydrophobicContact CD1-CZ 3.77Å; I189-F339 HydrophobicContact CG1-CE1 4.21Å; I189-F339 HydrophobicContact CG1-CE2 4.13Å; I189-F339 HydrophobicContact CG1-CZ 3.8Å
190F96.1Very high87.3Confident33 Ų3361.9 Ų61.915%0.14528%0.283CS..EExtended strand (participates in β ladder)trans-113151.6174.3-58.7-88.5000110R192 R208 V209 V291 L293 A306 T308F190-R192 PolarHBondContact O-N 2.91Å; F190-R208 CarbonylContact C-O 3.48Å; F190-R208 WeakPolarHBondContact CA-O 3.24Å; F190-V209 HydrophobicContact CD1-CG1 4.21Å; F190-V209 HydrophobicContact CD1-CG2 3.87Å; F190-V209 HydrophobicContact CE1-CG1 4.07Å; F190-V209 HydrophobicContact CE1-CG2 4.06Å; F190-V291 HydrophobicContact CD1-CG1 4.2Å; F190-V291 HydrophobicContact CE1-CG1 3.81Å; F190-L293 HydrophobicContact CE1-CB 4.22Å; F190-L293 HydrophobicContact CZ-CB 3.97Å; F190-A306 HydrophobicContact CE2-CB 3.85Å; F190-A306 HydrophobicContact CZ-CB 3.93Å; F190-T308 HydrophobicContact CB-CG2 3.61Å; F190-T308 HydrophobicContact CD1-CG2 3.72Å; F190-T308 HydrophobicContact CD2-CG2 3.78Å; F190-T308 HydrophobicContact CE1-CG2 4.33Å; F190-T308 HydrophobicContact CE2-CG2 4.36Å; F190-T308 HydrophobicContact CG-CG2 3.42Å; F190-T308 VanDerWaalsContact CG-CG2 3.42Å
191S96.1Very high87.6Confident1 Ų160.2 Ų60.21%0.00729%0.286CS..  trans-60.7139.3173.357.10000109.7Q193 R208 Y310 F321S191-Q193 VanDerWaalsContact CB-O 3.29Å; S191-Q193 WeakPolarHBondContact CB-O 3.45Å; S191-Q193 PolarHBondContact O-N 3.42Å; S191-Q193 PolarHBondContact OG-O 3.17Å; S191-R208 PolarHBondContact N-O 2.95Å; S191-R208 PolarHBondContact OG-N 2.93Å; S191-Y310 WeakPolarHBondContact O-CE1 3.24Å; S191-Y310 VanDerWaalsContact O-CZ 3.31Å; S191-Y310 PolarHBondContact O-OH 3.14Å; S191-Y310 PolarHBondContact OG-OH 3.47Å; S191-F321 WeakPolarHBondContact OG-CZ 3.38Å
192R93.7Very high88.8Confident204 Ų20465.6 Ų65.677%0.7731%0.307SS*.SBendtrans-62.2-37179.2-174.3177.3174.5129.90.6112K39 F190K39-R192 VanDerWaalsContact CE-O 3.26Å; K39-R192 WeakPolarHBondContact CE-O 3.49Å; K39-R192 PolarHBondContact NZ-O 3.04Å; F190-R192 PolarHBondContact O-N 2.91Å
193Q95.3Very high89.8Confident69 Ų6959.4 Ų59.432%0.32228%0.279SS..SBendtrans-115.5147.9178.5-68.7167.8-29.500109.5S191 E314 L316S191-Q193 VanDerWaalsContact CB-O 3.29Å; S191-Q193 WeakPolarHBondContact CB-O 3.45Å; S191-Q193 PolarHBondContact O-N 3.42Å; S191-Q193 PolarHBondContact OG-O 3.17Å; Q193-E314 VanDerWaalsContact CA-O 3.3Å; Q193-E314 WeakPolarHBondContact CA-O 3.33Å; Q193-E314 WeakPolarHBondContact CB-O 3.4Å; Q193-L316 HydrophobicContact CB-CD1 4.19Å; Q193-L316 HydrophobicContact CB-CG 4.32Å; Q193-L316 HydrophobicContact CG-CD1 4.38Å; Q193-L316 VanDerWaalsContact OE1-CD1 3.28Å
194A96.4Very high90.9Very high0 Ų051.6 Ų51.60%025%0.25CC..EExtended strand (participates in β ladder)trans-99161.7166.200000108.8F205 M206 F207 Y310 E314 I315 L316A194-F205 HydrophobicContact CB-CD2 4.41Å; A194-F205 HydrophobicContact CB-CE2 3.38Å; A194-F205 HydrophobicContact CB-CZ 3.55Å; A194-M206 CarbonylContact C-O 3.59Å; A194-M206 WeakPolarHBondContact CA-O 3.42Å; A194-F207 HydrophobicContact CB-CB 4.32Å; A194-Y310 HydrophobicContact CB-CD1 3.66Å; A194-Y310 HydrophobicContact CB-CD2 4.33Å; A194-Y310 HydrophobicContact CB-CE1 3.94Å; A194-Y310 HydrophobicContact CB-CG 3.88Å; A194-E314 PolarHBondContact N-O 2.94Å; A194-I315 HydrophobicContact CB-CG1 4.35Å; A194-L316 PolarHBondContact O-N 3.33Å
195V96.3Very high91.8Very high0 Ų049.8 Ų49.80%024%0.243CC..EExtended strand (participates in β ladder)trans-132.3145.3-178.7-550000111M206 L316 H319 F321 T342V195-M206 HydrophobicContact CG2-CB 3.85Å; V195-M206 HydrophobicContact CG2-CE 4.18Å; V195-M206 PolarHBondContact N-O 3.18Å; V195-M206 PolarHBondContact O-N 3.4Å; V195-L316 CarbonylContact C-O 3.59Å; V195-L316 VanDerWaalsContact CA-O 3.29Å; V195-L316 WeakPolarHBondContact CA-O 3.37Å; V195-L316 HydrophobicContact CG1-CB 4.32Å; V195-H319 HydrophobicContact CB-CB 4.02Å; V195-H319 WeakPolarHBondContact CB-O 3.26Å; V195-H319 HydrophobicContact CG1-CB 3.74Å; V195-H319 WeakPolarHBondContact CG2-O 3.43Å; V195-F321 HydrophobicContact CG1-CE1 4.46Å; V195-F321 HydrophobicContact CG1-CE2 4.27Å; V195-F321 HydrophobicContact CG1-CZ 4.13Å; V195-F321 HydrophobicContact CG2-CD2 3.82Å; V195-F321 HydrophobicContact CG2-CE2 3.59Å; V195-F321 HydrophobicContact CG2-CZ 4.27Å; V195-T342 HydrophobicContact CG1-CG2 3.6Å
196I95.6Very high92.6Very high6 Ų649.3 Ų49.33%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-115.2124.7170.4-64.7173.2000108L203 C204 F205 I268 L282 I315 L316 W317 G318I196-L203 HydrophobicContact CG2-CD1 3.82Å; I196-L203 HydrophobicContact CG2-CD2 3.95Å; I196-L203 HydrophobicContact CG2-CG 3.7Å; I196-C204 WeakPolarHBondContact CA-O 3.48Å; I196-F205 HydrophobicContact CD1-CD2 4.45Å; I196-F205 HydrophobicContact CG1-CB 4.46Å; I196-F205 HydrophobicContact CG1-CD2 4Å; I196-I268 HydrophobicContact CG2-CD1 4.38Å; I196-L282 HydrophobicContact CD1-CD2 3.95Å; I196-I315 HydrophobicContact CD1-CG2 3.6Å; I196-I315 HydrophobicContact CG1-CG2 3.77Å; I196-L316 PolarHBondContact N-O 2.85Å; I196-W317 HydrophobicContact CB-CD2 4.32Å; I196-W317 HydrophobicContact CB-CE3 4.12Å; I196-W317 HydrophobicContact CD1-CE3 3.76Å; I196-W317 HydrophobicContact CD1-CZ3 3.86Å; I196-W317 HydrophobicContact CG2-CD2 4.09Å; I196-W317 HydrophobicContact CG2-CE3 3.95Å; I196-W317 HydrophobicContact CG2-CH2 4.28Å; I196-W317 HydrophobicContact CG2-CZ2 4.36Å; I196-W317 HydrophobicContact CG2-CZ3 4.06Å; I196-G318 WeakPolarHBondContact O-CA 3.36Å; I196-G318 PolarHBondContact O-N 2.99Å
197A94.1Very high93.2Very high5 Ų543 Ų434%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-153.7167.817400000111C204 M206 H319A197-C204 PolarHBondContact N-O 2.65Å; A197-C204 VanDerWaalsContact N-O 3.15Å; A197-C204 PolarHBondContact O-N 3.38Å; A197-M206 HydrophobicContact CB-CE 3.91Å; A197-H319 WeakPolarHBondContact CB-O 3.28Å
198V92Very high93.6Very high39 Ų3941.7 Ų41.724%0.23620%0.199CC..EExtended strand (participates in β ladder)trans-79.7129.5177.5-177.80000110K202 L203 P348 L362V198-K202 CarbonylContact C-O 3.44Å; V198-K202 VanDerWaalsContact CA-O 3.27Å; V198-K202 WeakPolarHBondContact CA-O 3.08Å; V198-L203 HydrophobicContact CG2-CD1 4.05Å; V198-P348 VanDerWaalsContact CG2-CD 3.44Å; V198-P348 HydrophobicContact CG2-CG 3.92Å; V198-L362 HydrophobicContact CB-CD1 4.33Å; V198-L362 HydrophobicContact CG1-CD1 3.85Å; V198-L362 HydrophobicContact CG2-CD1 3.9Å
199R90Very high93.7Very high122 Ų12241.2 Ų41.246%0.4620%0.197SC..EExtended strand (participates in β ladder)trans-131.8128.1171.5-167.7175-175174.2-2.2108.5G201 K202 C204R199-G201 PolarHBondContact O-N 3.08Å; R199-K202 PolarHBondContact N-O 2.88Å; R199-K202 PolarHBondContact O-N 3.28Å; R199-C204 HydrophobicContact CB-CB 4.44Å
200N87.3Confident93.7Very high157 Ų15739.2 Ų39.284%0.8419%0.187SC*.THydrogen-bonded Turntrans5139.6-177.8-57.2-17.9000113.5K202N200-K202 PolarHBondContact O-N 3.27Å
201G86.5Confident93.6Very high40 Ų4038 Ų3841%0.41218%0.181SC..THydrogen-bonded Turntrans78.5-5.4179.400000115.9R199R199-G201 PolarHBondContact O-N 3.08Å
202K90.5Very high93.3Very high123 Ų12342.6 Ų42.654%0.53521%0.206SC..EExtended strand (participates in β ladder)trans-109.2150.6178.2-61.1-173.8-178.3-179.70111.5V198 R199 N200 V267V198-K202 CarbonylContact C-O 3.44Å; V198-K202 VanDerWaalsContact CA-O 3.27Å; V198-K202 WeakPolarHBondContact CA-O 3.08Å; R199-K202 PolarHBondContact N-O 2.88Å; R199-K202 PolarHBondContact O-N 3.28Å; N200-K202 PolarHBondContact O-N 3.27Å; K202-V267 HydrophobicContact CB-CG1 4.06Å; K202-V267 HydrophobicContact CD-CG1 3.6Å; K202-V267 HydrophobicContact CG-CG1 4.47Å
203L92.5Very high93Very high5 Ų538.9 Ų38.93%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-77.8127174.9-161.974.4000109.4I196 V198 I268 W317 A352 L355I196-L203 HydrophobicContact CG2-CD1 3.82Å; I196-L203 HydrophobicContact CG2-CD2 3.95Å; I196-L203 HydrophobicContact CG2-CG 3.7Å; V198-L203 HydrophobicContact CG2-CD1 4.05Å; L203-I268 HydrophobicContact CD2-CD1 3.91Å; L203-I268 HydrophobicContact CG-CD1 4.11Å; L203-I268 WeakPolarHBondContact O-CB 3.1Å; L203-I268 PolarHBondContact O-N 3.15Å; L203-W317 HydrophobicContact CD1-CZ2 4.11Å; L203-W317 HydrophobicContact CD2-CH2 3.48Å; L203-W317 VanDerWaalsContact CD2-CH2 3.48Å; L203-W317 HydrophobicContact CD2-CZ2 3.64Å; L203-W317 HydrophobicContact CD2-CZ3 4.38Å; L203-W317 HydrophobicContact CG-CZ2 4.5Å; L203-A352 HydrophobicContact CB-CB 4.36Å; L203-A352 HydrophobicContact CD2-CB 4.16Å; L203-L355 HydrophobicContact CB-CD2 4.27Å
204C93.9Very high92.5Very high2 Ų245.6 Ų45.61%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-126.7134.9-175.1-61.40000111.5I196 A197 R199 M206 C265 H266I196-C204 WeakPolarHBondContact CA-O 3.48Å; A197-C204 PolarHBondContact N-O 2.65Å; A197-C204 VanDerWaalsContact N-O 3.15Å; A197-C204 PolarHBondContact O-N 3.38Å; R199-C204 HydrophobicContact CB-CB 4.44Å; C204-M206 HydrophobicContact CB-CE 4.37Å; C204-M206 HydrophobicContact CB-CG 4.4Å; C204-C265 VanDerWaalsContact CB-SG 3.58Å; C204-H266 CarbonylContact C-O 3.57Å; C204-H266 VanDerWaalsContact CA-O 3.22Å; C204-H266 WeakPolarHBondContact CA-O 3.13Å
205F95.1Very high92.1Very high1 Ų146.5 Ų46.50%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-85.7130.7166.2173.8-101.7000109.7A194 I196 F207 H266 I268 L274 L289 Y310 I315A194-F205 HydrophobicContact CB-CD2 4.41Å; A194-F205 HydrophobicContact CB-CE2 3.38Å; A194-F205 HydrophobicContact CB-CZ 3.55Å; I196-F205 HydrophobicContact CD1-CD2 4.45Å; I196-F205 HydrophobicContact CG1-CB 4.46Å; I196-F205 HydrophobicContact CG1-CD2 4Å; F205-F207 HydrophobicContact CD1-CD1 4.31Å; F205-F207 AromaticContact CE1-CD1 3.59Å; F205-F207 HydrophobicContact CE1-CD1 3.59Å; F205-F207 HydrophobicContact CE1-CE1 4.03Å; F205-F207 HydrophobicContact CZ-CD1 4.22Å; F205-H266 HydrophobicContact CB-CB 4.39Å; F205-H266 HydrophobicContact CD1-CB 4.48Å; F205-H266 PolarHBondContact N-O 2.88Å; F205-H266 PolarHBondContact O-N 3.16Å; F205-I268 HydrophobicContact CB-CD1 4.45Å; F205-L274 HydrophobicContact CB-CD1 4.47Å; F205-L289 HydrophobicContact CD1-CD1 4.36Å; F205-L289 HydrophobicContact CD2-CD1 3.86Å; F205-L289 HydrophobicContact CE1-CD1 3.87Å; F205-L289 HydrophobicContact CE2-CD1 3.3Å; F205-L289 HydrophobicContact CG-CD1 4.36Å; F205-L289 HydrophobicContact CZ-CB 4.42Å; F205-L289 HydrophobicContact CZ-CD1 3.32Å; F205-L289 HydrophobicContact CZ-CG 4.47Å; F205-Y310 HydrophobicContact CZ-CD2 4.43Å; F205-I315 HydrophobicContact CD2-CG2 4.32Å; F205-I315 HydrophobicContact CE2-CD1 4.28Å; F205-I315 HydrophobicContact CE2-CG1 4.23Å; F205-I315 HydrophobicContact CE2-CG2 4.12Å
206M95.6Very high91.7Very high11 Ų1150 Ų505%0.05424%0.243CC..EExtended strand (participates in β ladder)trans-137.6139.9-173.8-67.6172.9-8100112.3A194 V195 A197 C204 I263 I264 C265 F321A194-M206 CarbonylContact C-O 3.59Å; A194-M206 WeakPolarHBondContact CA-O 3.42Å; V195-M206 HydrophobicContact CG2-CB 3.85Å; V195-M206 HydrophobicContact CG2-CE 4.18Å; V195-M206 PolarHBondContact N-O 3.18Å; V195-M206 PolarHBondContact O-N 3.4Å; A197-M206 HydrophobicContact CB-CE 3.91Å; C204-M206 HydrophobicContact CB-CE 4.37Å; C204-M206 HydrophobicContact CB-CG 4.4Å; M206-I263 HydrophobicContact CB-CG2 3.81Å; M206-I263 HydrophobicContact CG-CG2 4.05Å; M206-I263 HydrophobicContact SD-CG2 4.2Å; M206-I264 VanDerWaalsContact CA-O 3.25Å; M206-I264 WeakPolarHBondContact CA-O 3.04Å; M206-C265 HydrophobicContact CG-CB 4.21Å; M206-F321 HydrophobicContact CB-CE2 4.39Å
207F96Very high91.5Very high0 Ų050.4 Ų50.40%025%0.245CC..EExtended strand (participates in β ladder)trans-140.7158.3167.761.2-84.6000109.4A194 F205 V209 V222 I224 I263 I264 V291 Y310A194-F207 HydrophobicContact CB-CB 4.32Å; F205-F207 HydrophobicContact CD1-CD1 4.31Å; F205-F207 AromaticContact CE1-CD1 3.59Å; F205-F207 HydrophobicContact CE1-CD1 3.59Å; F205-F207 HydrophobicContact CE1-CE1 4.03Å; F205-F207 HydrophobicContact CZ-CD1 4.22Å; F207-V209 HydrophobicContact CD2-CG2 3.65Å; F207-V209 HydrophobicContact CE2-CG2 3.41Å; F207-V209 VanDerWaalsContact CE2-CG2 3.41Å; F207-V222 HydrophobicContact CE2-CG1 4.42Å; F207-V222 HydrophobicContact CZ-CG1 3.87Å; F207-I224 HydrophobicContact CE1-CD1 3.61Å; F207-I224 HydrophobicContact CE1-CG1 3.94Å; F207-I224 HydrophobicContact CZ-CD1 4.13Å; F207-I224 HydrophobicContact CZ-CG1 4.12Å; F207-I263 CarbonylContact O-C 3.56Å; F207-I263 WeakPolarHBondContact O-CA 3.42Å; F207-I264 HydrophobicContact CD1-CB 4.37Å; F207-I264 HydrophobicContact CD2-CB 4.28Å; F207-I264 HydrophobicContact CD2-CG1 4.43Å; F207-I264 HydrophobicContact CE1-CB 3.86Å; F207-I264 HydrophobicContact CE1-CG2 3.82Å; F207-I264 HydrophobicContact CE2-CB 3.74Å; F207-I264 HydrophobicContact CE2-CG1 3.75Å; F207-I264 HydrophobicContact CE2-CG2 4.26Å; F207-I264 HydrophobicContact CZ-CB 3.53Å; F207-I264 HydrophobicContact CZ-CG1 3.94Å; F207-I264 HydrophobicContact CZ-CG2 3.56Å; F207-I264 PolarHBondContact N-O 3.15Å; F207-I264 VanDerWaalsContact N-O 3.16Å; F207-I264 PolarHBondContact O-N 3.19Å; F207-V291 HydrophobicContact CD1-CG2 4.15Å; F207-V291 HydrophobicContact CD2-CG1 4.22Å; F207-V291 HydrophobicContact CD2-CG2 4.42Å; F207-V291 HydrophobicContact CE1-CG1 4.29Å; F207-V291 HydrophobicContact CE1-CG2 3.75Å; F207-V291 HydrophobicContact CE2-CB 4.3Å; F207-V291 HydrophobicContact CE2-CG1 3.35Å; F207-V291 HydrophobicContact CE2-CG2 4.07Å; F207-V291 HydrophobicContact CG-CG2 4.46Å; F207-V291 HydrophobicContact CZ-CB 4.2Å; F207-V291 HydrophobicContact CZ-CG1 3.38Å; F207-V291 HydrophobicContact CZ-CG2 3.7Å; F207-Y310 HydrophobicContact CB-CE2 4.04Å; F207-Y310 HydrophobicContact CG-CE2 4.2Å
208R96Very high91.4Very high6 Ų654.3 Ų54.32%0.02327%0.265CS..EExtended strand (participates in β ladder)trans-105.5138.5-179.3-178.4-179.8-74.4164.2-15.3110.3F190 S191 P261 L262 I263 F321 V322 I324 F339F190-R208 CarbonylContact C-O 3.48Å; F190-R208 WeakPolarHBondContact CA-O 3.24Å; S191-R208 PolarHBondContact N-O 2.95Å; S191-R208 PolarHBondContact OG-N 2.93Å; R208-P261 HydrophobicContact CG-CB 4.27Å; R208-L262 WeakPolarHBondContact CA-O 3.35Å; R208-I263 HydrophobicContact CB-CG1 4.5Å; R208-F321 HydrophobicContact CB-CE1 4.4Å; R208-F321 HydrophobicContact CB-CE2 4.41Å; R208-F321 HydrophobicContact CB-CZ 4.3Å; R208-V322 PolarHBondContact NH1-O 3.45Å; R208-V322 PolarHBondContact NH2-O 3.22Å; R208-I324 VanDerWaalsContact NH1-CG2 3.32Å; R208-F339 HydrophobicContact CB-CZ 4.33Å; R208-F339 WeakPolarHBondContact CD-O 3.48Å; R208-F339 HydrophobicContact CG-CD2 4.23Å; R208-F339 HydrophobicContact CG-CE1 4.42Å; R208-F339 HydrophobicContact CG-CE2 3.67Å; R208-F339 HydrophobicContact CG-CZ 3.76Å; R208-F339 PolarHBondContact NH1-O 3.38Å
209V95.4Very high91.3Very high0 Ų056.6 Ų56.60%028%0.282CS..EExtended strand (participates in β ladder)trans-122.2145.3174.7-168.40000108.3I189 F190 F207 L258 P261 L262 I264 L293I189-V209 CarbonylContact O-C 3.55Å; I189-V209 WeakPolarHBondContact O-CA 3.45Å; F190-V209 HydrophobicContact CD1-CG1 4.21Å; F190-V209 HydrophobicContact CD1-CG2 3.87Å; F190-V209 HydrophobicContact CE1-CG1 4.07Å; F190-V209 HydrophobicContact CE1-CG2 4.06Å; F207-V209 HydrophobicContact CD2-CG2 3.65Å; F207-V209 HydrophobicContact CE2-CG2 3.41Å; F207-V209 VanDerWaalsContact CE2-CG2 3.41Å; V209-L258 HydrophobicContact CG1-CD2 4.2Å; V209-P261 CarbonylContact O-C 3.49Å; V209-P261 WeakPolarHBondContact O-CA 3.31Å; V209-P261 WeakPolarHBondContact O-CB 3.48Å; V209-L262 PolarHBondContact N-O 2.8Å; V209-L262 PolarHBondContact O-N 3.22Å; V209-I264 HydrophobicContact CG2-CG1 3.8Å; V209-L293 HydrophobicContact CG1-CD2 3.89Å
210G93.6Very high91.4Very high0 Ų050.8 Ų50.80%026%0.261CS..EExtended strand (participates in β ladder)trans-149155.2175.300000111.8I189I189-G210 WeakPolarHBondContact CG1-O 3.46Å; I189-G210 PolarHBondContact N-O 3.3Å; I189-G210 PolarHBondContact O-N 3.34Å
211D93.1Very high91.6Very high6 Ų644.2 Ų44.23%0.03223%0.227CC..EExtended strand (participates in β ladder)trans-106.8124.7167.7-170.4-4.4000108.8L188 R213 L258 Y336L188-D211 HydrophobicContact CD2-CB 3.93Å; D211-R213 PolarHBondContact O-N 2.77Å; D211-R213 WeakPolarHBondContact OD1-CB 3.42Å; D211-R213 PolarHBondContact OD1-N 3.02Å; D211-L258 HydrophobicContact CB-CD2 4.32Å; D211-Y336 PolarHBondContact O-OH 3.37Å
212L89.6Confident92Very high99 Ų9942.4 Ų42.452%0.51821%0.208SC..SBendtrans-75.2-13.6176.4-69.9172.9000112.8T187 I189 Y336T187-L212 PolarHBondContact O-N 3.25Å; T187-L212 VanDerWaalsContact O-N 3.14Å; I189-L212 HydrophobicContact CD1-CD2 3.84Å; I189-L212 HydrophobicContact CD1-CG 4.07Å; I189-L212 HydrophobicContact CG1-CG 4.24Å; I189-L212 HydrophobicContact CG2-CD1 3.65Å; I189-L212 HydrophobicContact CG2-CG 4.07Å; L212-Y336 HydrophobicContact CD2-CD1 4.01Å; L212-Y336 HydrophobicContact CD2-CE1 4.02Å; L212-Y336 HydrophobicContact CD2-CG 4.34Å
213R88.6Confident92.1Very high125 Ų12542.2 Ų42.247%0.47220%0.204SC..SBendtrans-99.7158.6-176.9-163.4179.9-87.9-119.31.3111.5R184 D211 S215R184-R213 VanDerWaalsContact CZ-NH1 3.3Å; D211-R213 PolarHBondContact O-N 2.77Å; D211-R213 WeakPolarHBondContact OD1-CB 3.42Å; D211-R213 PolarHBondContact OD1-N 3.02Å; R213-S215 WeakPolarHBondContact CD-OG 3.34Å
214K84.3Confident92.2Very high210 Ų21042 Ų4291%0.91320%0.203SC*.SBendtrans-78.9-24.4173.9-63.4-172.9178.2-173.10114.6
215S88.7Confident92.2Very high20 Ų2044 Ų4414%0.1421%0.212CC..SBendtrans-72.3143.4178.260.30000109.7R184 R213R184-S215 PolarHBondContact NH1-OG 2.97Å; R213-S215 WeakPolarHBondContact CD-OG 3.34Å
216M88.4Confident92.1Very high73 Ų7344 Ų4436%0.3621%0.212SC..  trans-83.1154.3-175.3-62.1-176.7-68.800112.3F257 V259 E298M216-F257 HydrophobicContact SD-CE2 4.47Å; M216-F257 HydrophobicContact SD-CZ 4.46Å; M216-V259 HydrophobicContact CG-CG2 4.49Å; M216-V259 HydrophobicContact SD-CG2 4.36Å; M216-E298 WeakPolarHBondContact CE-OE1 3.34Å; M216-E298 PolarHBondContact N-OE2 3.35Å; M216-E298 VanDerWaalsContact O-CB 3.23Å; M216-E298 WeakPolarHBondContact O-CB 3.21Å; M216-E298 PolarHBondContact O-N 3.49Å
217I91.3Very high92Very high14 Ų1444.1 Ų44.17%0.07221%0.213CC..EExtended strand (participates in β ladder)trans-98.9111.7162.7-56.7-58.9000107.7L188 A220 V296 V297L188-I217 HydrophobicContact CD2-CG1 4.13Å; I217-A220 HydrophobicContact CB-CB 4.47Å; I217-A220 HydrophobicContact CG2-CB 4.03Å; I217-V296 CarbonylContact C-O 3.57Å; I217-V296 WeakPolarHBondContact CA-O 3.36Å; I217-V297 HydrophobicContact CD1-CG2 4.07Å
218I90.3Very high91.8Very high88 Ų8847.9 Ų47.945%0.45123%0.227SC..EExtended strand (participates in β ladder)trans-79140.1-178.8-56.4174.2000108.7A220 V296 E298I218-A220 VanDerWaalsContact C-N 3.26Å; I218-A220 PolarHBondContact O-N 2.82Å; I218-V296 HydrophobicContact CB-CB 4.32Å; I218-V296 PolarHBondContact N-O 3.38Å; I218-V296 PolarHBondContact O-N 2.99Å; I218-E298 HydrophobicContact CD1-CB 4.04Å; I218-E298 HydrophobicContact CD1-CG 4.25Å; I218-E298 HydrophobicContact CG1-CB 4.24Å
219S89.8Confident91.5Very high86 Ų8654.6 Ų54.660%0.60126%0.257SS*.EExtended strand (participates in β ladder)trans53.744.4179.2-157.50000112.4S221S219-S221 PolarHBondContact O-N 2.79Å
220A92.6Very high91.2Very high1 Ų156 Ų561%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-66.5127.2177.300000110.1I217 I218 N255 I256 L293 E294I217-A220 HydrophobicContact CB-CB 4.47Å; I217-A220 HydrophobicContact CG2-CB 4.03Å; I218-A220 VanDerWaalsContact C-N 3.26Å; I218-A220 PolarHBondContact O-N 2.82Å; A220-N255 CarbonylContact O-C 3.59Å; A220-N255 WeakPolarHBondContact O-CA 3.33Å; A220-I256 HydrophobicContact CB-CD1 4.44Å; A220-I256 HydrophobicContact CB-CG1 3.77Å; A220-I256 PolarHBondContact O-N 2.91Å; A220-L293 HydrophobicContact CB-CD1 4.26Å; A220-E294 CarbonylContact C-O 3.54Å; A220-E294 VanDerWaalsContact CA-O 3.28Å; A220-E294 WeakPolarHBondContact CA-O 3.44Å
221S92.8Very high91.2Very high19 Ų1960 Ų6013%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-129.9135.1-179.3-165.40000110.3S219 N254 L293 E294S219-S221 PolarHBondContact O-N 2.79Å; S221-N254 WeakPolarHBondContact CA-O 3.45Å; S221-N254 PolarHBondContact OG-O 3.22Å; S221-L293 WeakPolarHBondContact O-CA 3.3Å; S221-E294 PolarHBondContact N-O 2.95Å; S221-E294 PolarHBondContact O-N 3.04Å
222V94.1Very high91.2Very high1 Ų161.1 Ų61.11%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-111.5129.3-179.6179.60000110.4F207 I224 V247 N254 I256 I264 V291 V292 L293F207-V222 HydrophobicContact CE2-CG1 4.42Å; F207-V222 HydrophobicContact CZ-CG1 3.87Å; V222-I224 HydrophobicContact CG1-CG1 4.44Å; V222-V247 HydrophobicContact CG1-CG2 4.38Å; V222-N254 PolarHBondContact N-O 3.06Å; V222-N254 WeakPolarHBondContact O-CB 3.41Å; V222-I256 HydrophobicContact CG2-CD1 3.56Å; V222-I256 HydrophobicContact CG2-CG1 4.11Å; V222-I256 HydrophobicContact CG2-CG2 4.36Å; V222-I264 HydrophobicContact CG1-CG2 4.15Å; V222-I264 HydrophobicContact CG2-CD1 4.22Å; V222-I264 HydrophobicContact CG2-CG1 4.4Å; V222-V291 HydrophobicContact CG1-CG1 4.26Å; V222-V292 CarbonylContact C-O 3.59Å; V222-V292 WeakPolarHBondContact CA-O 3.26Å; V222-L293 HydrophobicContact CG2-CD1 3.6Å
223R93.2Very high91.4Very high120 Ų12062.5 Ų62.545%0.45331%0.312SS..EExtended strand (participates in β ladder)trans-120139.6173.9-59-177.9-175.4-172.63.4109.7V292 E294R223-V292 HydrophobicContact CB-CB 4.39Å; R223-V292 PolarHBondContact N-O 3.15Å; R223-V292 PolarHBondContact O-N 2.77Å; R223-E294 IonicContact CZ-OE2 3.56Å; R223-E294 IonicContact NE-OE2 3.62Å; R223-E294 IonicContact NH2-OE2 2.75Å
224I93.8Very high91.7Very high1 Ų164 Ų641%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-122.8130.3178.1-53.9166.5000107F207 V222 I245 V247 I264 H266 I290 V291F207-I224 HydrophobicContact CE1-CD1 3.61Å; F207-I224 HydrophobicContact CE1-CG1 3.94Å; F207-I224 HydrophobicContact CZ-CD1 4.13Å; F207-I224 HydrophobicContact CZ-CG1 4.12Å; V222-I224 HydrophobicContact CG1-CG1 4.44Å; I224-I245 HydrophobicContact CB-CB 4.17Å; I224-I245 HydrophobicContact CG2-CB 4.25Å; I224-I245 PolarHBondContact O-N 3.32Å; I224-V247 HydrophobicContact CD1-CG2 3.83Å; I224-V247 HydrophobicContact CG1-CG2 4.25Å; I224-I264 HydrophobicContact CD1-CG2 4.43Å; I224-H266 HydrophobicContact CD1-CB 4.28Å; I224-I290 CarbonylContact C-O 3.52Å; I224-I290 WeakPolarHBondContact CA-O 3.26Å; I224-V291 HydrophobicContact CG1-CG2 4.46Å
225Q94.1Very high92.1Very high43 Ų4356.4 Ų56.420%0.20131%0.306CS..EExtended strand (participates in β ladder)trans-125.8134.8176.9-47.9-168.6-58.300109.6V243 D244 L289 I290Q225-V243 CarbonylContact C-O 3.59Å; Q225-V243 WeakPolarHBondContact CA-O 3.5Å; Q225-D244 WeakPolarHBondContact CG-OD1 3.25Å; Q225-D244 PolarHBondContact NE2-OD1 2.9Å; Q225-L289 CarbonylContact O-C 3.55Å; Q225-L289 WeakPolarHBondContact O-CA 3.41Å; Q225-I290 HydrophobicContact CB-CB 4.41Å; Q225-I290 PolarHBondContact N-O 3.06Å; Q225-I290 PolarHBondContact O-N 3.18Å
226V93.7Very high92.4Very high1 Ų161.5 Ų61.51%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-92.6125.9170.6-1700000108.9H241 Q242 V243 I245 P273 L287 L289V226-H241 VanDerWaalsContact O-O 3.13Å; V226-Q242 WeakPolarHBondContact O-CA 3.24Å; V226-V243 PolarHBondContact N-O 3.23Å; V226-V243 PolarHBondContact O-N 3.05Å; V226-I245 HydrophobicContact CG2-CD1 3.11Å; V226-I245 HydrophobicContact CG2-CG1 3.63Å; V226-P273 HydrophobicContact CB-CG 4.1Å; V226-P273 HydrophobicContact CG2-CB 4.49Å; V226-P273 HydrophobicContact CG2-CG 3.44Å; V226-P273 VanDerWaalsContact CG2-CG 3.44Å; V226-L287 HydrophobicContact CG1-CD1 3.44Å; V226-L287 VanDerWaalsContact CG1-CD1 3.44Å; V226-L287 HydrophobicContact CG1-CG 3.93Å; V226-L289 HydrophobicContact CB-CD2 3.98Å; V226-L289 HydrophobicContact CG1-CD2 4.02Å; V226-L289 HydrophobicContact CG2-CD2 3.33Å
227V93.1Very high92.7Very high14 Ų1461.4 Ų61.49%0.08533%0.33CS..EExtended strand (participates in β ladder)trans-107.2116.4171.3-176.90000108.7I240 H241 Q242 E288 I290V227-I240 HydrophobicContact CG1-CG2 3.6Å; V227-H241 WeakPolarHBondContact CA-O 3.48Å; V227-Q242 HydrophobicContact CG2-CG 4.08Å; V227-E288 HydrophobicContact CB-CB 4.45Å; V227-E288 PolarHBondContact N-O 3.26Å; V227-E288 PolarHBondContact O-N 3.31Å; V227-I290 HydrophobicContact CB-CD1 4.48Å; V227-I290 HydrophobicContact CG2-CD1 3.3Å; V227-I290 HydrophobicContact CG2-CG1 3.99Å
228R90.8Very high92.8Very high79 Ų7963 Ų6330%0.29834%0.339SS..EExtended strand (participates in β ladder)trans-145.9157.3173.968.2178.8-172.4-169.6-1.2110.6T230 H241 P273R228-T230 PolarHBondContact O-N 2.9Å; R228-H241 PolarHBondContact N-O 3.17Å; R228-H241 VanDerWaalsContact O-CB 3.31Å; R228-H241 WeakPolarHBondContact O-CB 3.39Å; R228-H241 PolarHBondContact O-N 3.02Å; R228-P273 PolarHBondContact NH1-O 3.22Å
229K90.1Very high92.7Very high147 Ų14763.3 Ų63.364%0.63935%0.347SS*.EExtended strand (participates in β ladder)trans-73.3121.9169-174.3177.3179.9-177.50108.6V237K229-V237 HydrophobicContact CD-CG1 4.41Å; K229-V237 HydrophobicContact CG-CG1 4.31Å
230T89.8Confident92.7Very high28 Ų2862.9 Ų62.917%0.17234%0.337CS..EExtended strand (participates in β ladder)trans-120.5140.8-179.7-54.60000109.4R228 I238 H241R228-T230 PolarHBondContact O-N 2.9Å; T230-I238 PolarHBondContact N-O 3.42Å; T230-I238 VanDerWaalsContact N-O 3.13Å; T230-I238 PolarHBondContact O-N 3.04Å; T230-H241 WeakPolarHBondContact CB-ND1 3.34Å; T230-H241 WeakPolarHBondContact OG1-CB 3.43Å; T230-H241 PolarHBondContact OG1-ND1 3.4Å
231T93Very high92.7Very high86 Ų8665.7 Ų65.753%0.52835%0.35SS..EExtended strand (participates in β ladder)trans-110.6125.3170.1-51.60000107.6E236 V237T231-E236 CarbonylContact C-O 3.52Å; T231-E236 VanDerWaalsContact CA-O 3.29Å; T231-E236 WeakPolarHBondContact CA-O 3.41Å; T231-V237 HydrophobicContact CG2-CG2 3.94Å
232T93.6Very high92.7Very high29 Ų2969.1 Ų69.118%0.17836%0.363CS..  trans-73159178.676.50000110E234 G235 E236 I238T232-E234 WeakPolarHBondContact CB-OE2 3.43Å; T232-E234 PolarHBondContact O-N 3.03Å; T232-E234 PolarHBondContact OG1-N 3.47Å; T232-E234 PolarHBondContact OG1-OE2 2.98Å; T232-G235 PolarHBondContact O-N 3.23Å; T232-E236 HydrophobicContact CG2-CB 4.1Å; T232-E236 PolarHBondContact N-O 3.07Å; T232-E236 WeakPolarHBondContact OG1-CB 3.49Å; T232-E236 PolarHBondContact OG1-N 3.2Å; T232-E236 VanDerWaalsContact OG1-N 3.16Å; T232-I238 HydrophobicContact CG2-CD1 3.94Å; T232-I238 HydrophobicContact CG2-CG1 4.42Å
233P93.1Very high92.5Very high128 Ų12871 Ų7183%0.83138%0.375SS*.THydrogen-bonded Turntrans-61.7-23.1176.823.2-31.4000113.2G235P233-G235 PolarHBondContact O-N 3.4Å
234E95Very high92.5Very high156 Ų15670.2 Ų70.273%0.72938%0.38SS*.THydrogen-bonded Turntrans-75.4-6.3173.5-55.173.9-15800113.1T232T232-E234 WeakPolarHBondContact CB-OE2 3.43Å; T232-E234 PolarHBondContact O-N 3.03Å; T232-E234 PolarHBondContact OG1-N 3.47Å; T232-E234 PolarHBondContact OG1-OE2 2.98Å
235G93.1Very high92.2Very high51 Ų5170.5 Ų70.553%0.52638%0.381SS..SBendtrans92.35.3179.400000114.9T232 P233 V237T232-G235 PolarHBondContact O-N 3.23Å; P233-G235 PolarHBondContact O-N 3.4Å; G235-V237 PolarHBondContact O-N 2.92Å
236E95.1Very high91.8Very high127 Ų12772 Ų7259%0.59339%0.394SS*.  trans-73.4126.6175.7-173-175.9175.700110.4T231 T232T231-E236 CarbonylContact C-O 3.52Å; T231-E236 VanDerWaalsContact CA-O 3.29Å; T231-E236 WeakPolarHBondContact CA-O 3.41Å; T232-E236 HydrophobicContact CG2-CB 4.1Å; T232-E236 PolarHBondContact N-O 3.07Å; T232-E236 WeakPolarHBondContact OG1-CB 3.49Å; T232-E236 PolarHBondContact OG1-N 3.2Å; T232-E236 VanDerWaalsContact OG1-N 3.16Å
237V93.9Very high91.3Very high70 Ų7072.7 Ų72.742%0.42440%0.399SS..EExtended strand (participates in β ladder)trans-97.9108.6178.4-179.70000109.6K229 T231 G235 P239K229-V237 HydrophobicContact CD-CG1 4.41Å; K229-V237 HydrophobicContact CG-CG1 4.31Å; T231-V237 HydrophobicContact CG2-CG2 3.94Å; G235-V237 PolarHBondContact O-N 2.92Å; V237-P239 WeakPolarHBondContact O-CD 3.16Å
238I93.2Very high90.5Very high47 Ų4776.5 Ų76.524%0.24142%0.419CS..EExtended strand (participates in β ladder)trans-90.8111.6176.3-55.6172.9000108.6T230 T232 I240 H241T230-I238 PolarHBondContact N-O 3.42Å; T230-I238 VanDerWaalsContact N-O 3.13Å; T230-I238 PolarHBondContact O-N 3.04Å; T232-I238 HydrophobicContact CG2-CD1 3.94Å; T232-I238 HydrophobicContact CG2-CG1 4.42Å; I238-I240 PolarHBondContact O-N 3.47Å; I238-H241 HydrophobicContact CB-CB 4.27Å; I238-H241 HydrophobicContact CG2-CB 3.85Å
239P89.1Confident89.8Confident96 Ų9674.7 Ų74.762%0.62342%0.415SS*.EExtended strand (participates in β ladder)trans-66.1-37.6-174.6-22.534.7000113.7V237V237-P239 WeakPolarHBondContact O-CD 3.16Å
240I90.1Very high88.8Confident77 Ų7773.8 Ų73.840%0.39542%0.424SS..EExtended strand (participates in β ladder)trans-129.579.2-177.1-56.6175.6000107.1F36 V227 I238 Q242F36-I240 HydrophobicContact CD2-CD1 4.06Å; F36-I240 HydrophobicContact CD2-CG2 4.37Å; F36-I240 HydrophobicContact CE2-CD1 3.83Å; F36-I240 HydrophobicContact CE2-CG2 3.99Å; F36-I240 HydrophobicContact CZ-CG2 4.37Å; V227-I240 HydrophobicContact CG1-CG2 3.6Å; I238-I240 PolarHBondContact O-N 3.47Å; I240-Q242 HydrophobicContact CG2-CG 4.26Å
241H91.8Very high87.9Confident60 Ų6079 Ų7928%0.27845%0.45SS..EExtended strand (participates in β ladder)trans-86118.4174.7-175.5-140.1000108.8V226 V227 R228 T230 I238 V243V226-H241 VanDerWaalsContact O-O 3.13Å; V227-H241 WeakPolarHBondContact CA-O 3.48Å; R228-H241 PolarHBondContact N-O 3.17Å; R228-H241 VanDerWaalsContact O-CB 3.31Å; R228-H241 WeakPolarHBondContact O-CB 3.39Å; R228-H241 PolarHBondContact O-N 3.02Å; T230-H241 WeakPolarHBondContact CB-ND1 3.34Å; T230-H241 WeakPolarHBondContact OG1-CB 3.43Å; T230-H241 PolarHBondContact OG1-ND1 3.4Å; I238-H241 HydrophobicContact CB-CB 4.27Å; I238-H241 HydrophobicContact CG2-CB 3.85Å; H241-V243 WeakPolarHBondContact CE1-CG2 3.49Å
242Q92.2Very high86.7Confident90 Ų9083.2 Ų83.242%0.42146%0.463SS..EExtended strand (participates in β ladder)trans-101.2119179.7-55.5-177.713.200108.6V226 V227 I240V226-Q242 WeakPolarHBondContact O-CA 3.24Å; V227-Q242 HydrophobicContact CG2-CG 4.08Å; I240-Q242 HydrophobicContact CG2-CG 4.26Å
243V91.6Very high85.8Confident40 Ų4083.5 Ų83.524%0.24247%0.466CS..EExtended strand (participates in β ladder)trans-121121.3178.6-177.40000109.2Q225 V226 H241 P273Q225-V243 CarbonylContact C-O 3.59Å; Q225-V243 WeakPolarHBondContact CA-O 3.5Å; V226-V243 PolarHBondContact N-O 3.23Å; V226-V243 PolarHBondContact O-N 3.05Å; H241-V243 WeakPolarHBondContact CE1-CG2 3.49Å; V243-P273 HydrophobicContact CG1-CG 4.27Å
244D91.4Very high85.3Confident105 Ų10579.9 Ų79.956%0.56144%0.44SS*.EExtended strand (participates in β ladder)trans-71.1140178.3-73.9-8.9000111.4Q225Q225-D244 WeakPolarHBondContact CG-OD1 3.25Å; Q225-D244 PolarHBondContact NE2-OD1 2.9Å
245I88.8Confident84.9Confident7 Ų776.6 Ų76.64%0.03643%0.428CS..EExtended strand (participates in β ladder)trans-115.8128177.5-73-168.6000109.5I224 V226 H266 P273 L274 L289I224-I245 HydrophobicContact CB-CB 4.17Å; I224-I245 HydrophobicContact CG2-CB 4.25Å; I224-I245 PolarHBondContact O-N 3.32Å; V226-I245 HydrophobicContact CG2-CD1 3.11Å; V226-I245 HydrophobicContact CG2-CG1 3.63Å; I245-H266 HydrophobicContact CG2-CB 4.13Å; I245-H266 VanDerWaalsContact CG2-CD2 3.46Å; I245-H266 WeakPolarHBondContact CG2-CD2 3.35Å; I245-H266 WeakPolarHBondContact CG2-CE1 3.42Å; I245-H266 WeakPolarHBondContact CG2-ND1 3.28Å; I245-H266 WeakPolarHBondContact CG2-NE2 3.39Å; I245-P273 HydrophobicContact CD1-CG 3.77Å; I245-P273 HydrophobicContact CG1-CG 3.88Å; I245-L274 HydrophobicContact CD1-CD1 4.22Å; I245-L274 HydrophobicContact CD1-CG 4.32Å; I245-L289 HydrophobicContact CD1-CD2 4.43Å
246P84.7Confident84.8Confident73 Ų7375.7 Ų75.747%0.47441%0.41SS..  trans-71138.8174.329.5-33.8000111.5H266P246-H266 PolarHBondContact O-ND1 3.17Å
247V84.7Confident84.6Confident17 Ų1776.9 Ų76.910%0.10341%0.414CS..  trans-79141.6171.2179.60000109V222 I224 N249 I264 C265V222-V247 HydrophobicContact CG1-CG2 4.38Å; I224-V247 HydrophobicContact CD1-CG2 3.83Å; I224-V247 HydrophobicContact CG1-CG2 4.25Å; V247-N249 PolarHBondContact O-N 2.81Å; V247-I264 HydrophobicContact CG1-CG2 3.62Å; V247-I264 HydrophobicContact CG2-CG2 4.12Å; V247-C265 WeakPolarHBondContact CG1-O 3.37Å
248D76.3Confident84.4Confident93 Ų9373.8 Ų73.850%0.49740%0.395SS..  trans-72.299.8177.3-173.134.6000109.8C265 V267D248-C265 VanDerWaalsContact CB-O 3.27Å; D248-C265 WeakPolarHBondContact CB-O 3.39Å; D248-C265 PolarHBondContact N-O 2.98Å; D248-V267 HydrophobicContact CB-CG2 3.84Å; D248-V267 WeakPolarHBondContact OD2-CG2 3.08Å
249N74.9Confident84.2Confident41 Ų4175.6 Ų75.622%0.21941%0.408CS..  trans-132.4131.1173.5-165.7-14.8000108.8V247 I251 E252 S253 N255V247-N249 PolarHBondContact O-N 2.81Å; N249-I251 PolarHBondContact O-N 2.96Å; N249-E252 PolarHBondContact O-N 2.88Å; N249-S253 WeakPolarHBondContact CB-O 3.42Å; N249-S253 PolarHBondContact ND2-O 2.84Å; N249-S253 PolarHBondContact ND2-OG 3.17Å; N249-N255 PolarHBondContact ND2-O 3.15Å
250P68.6Low84.3Confident129 Ų12972.8 Ų72.884%0.83839%0.393SS*.THydrogen-bonded Turntrans-54.3-23.1177.618.1-34.5000115.2
251I72.6Confident84.5Confident138 Ų13869.7 Ų69.771%0.70838%0.378SS*.THydrogen-bonded Turntrans-99.38-179.7-51.7172.7000111N249 S253N249-I251 PolarHBondContact O-N 2.96Å; I251-S253 PolarHBondContact O-N 3.42Å
252E67Low84.6Confident173 Ų17369.9 Ų69.981%0.80838%0.381SS*.SBendtrans52.914.4-173.7-62.1-169.7160.100114.6N249N249-E252 PolarHBondContact O-N 2.88Å
253S74.9Confident84.7Confident35 Ų3568.6 Ų68.625%0.24538%0.376CS..  trans-91.2140.7176.372.80000110.6N249 I251 N255N249-S253 WeakPolarHBondContact CB-O 3.42Å; N249-S253 PolarHBondContact ND2-O 2.84Å; N249-S253 PolarHBondContact ND2-OG 3.17Å; I251-S253 PolarHBondContact O-N 3.42Å; S253-N255 PolarHBondContact O-N 2.95Å
254N82Confident84.9Confident53 Ų5367.1 Ų67.128%0.28337%0.366SS..  trans-80.88.8175-70.9-26000113S221 V222S221-N254 WeakPolarHBondContact CA-O 3.45Å; S221-N254 PolarHBondContact OG-O 3.22Å; V222-N254 PolarHBondContact N-O 3.06Å; V222-N254 WeakPolarHBondContact O-CB 3.41Å
255N88Confident84.9Confident87 Ų8762.5 Ų62.547%0.46534%0.343SS..EExtended strand (participates in β ladder)trans-83.2135.3-173.9-63.1-19.4000110.5A220 N249 S253A220-N255 CarbonylContact O-C 3.59Å; A220-N255 WeakPolarHBondContact O-CA 3.33Å; N249-N255 PolarHBondContact ND2-O 3.15Å; S253-N255 PolarHBondContact O-N 2.95Å
256I89.8Confident85.2Confident31 Ų3162.4 Ų62.416%0.15934%0.342CS..EExtended strand (participates in β ladder)trans-125.6151.4179.363.8164.1000110.4A220 V222 L258 L262 I264 L293A220-I256 HydrophobicContact CB-CD1 4.44Å; A220-I256 HydrophobicContact CB-CG1 3.77Å; A220-I256 PolarHBondContact O-N 2.91Å; V222-I256 HydrophobicContact CG2-CD1 3.56Å; V222-I256 HydrophobicContact CG2-CG1 4.11Å; V222-I256 HydrophobicContact CG2-CG2 4.36Å; I256-L258 HydrophobicContact CD1-CB 4.14Å; I256-L258 HydrophobicContact CD1-CD1 4.41Å; I256-L262 HydrophobicContact CB-CD1 4.39Å; I256-I264 HydrophobicContact CD1-CD1 4.17Å; I256-I264 HydrophobicContact CG2-CD1 3.93Å; I256-L293 HydrophobicContact CD1-CD1 3.93Å; I256-L293 HydrophobicContact CG1-CD1 4.5Å
257F90.2Very high85.5Confident153 Ų15360 Ų6067%0.67133%0.326SS*.  trans-104.992.5171.7-176-109.5000109.6M216 V259 L262M216-F257 HydrophobicContact SD-CE2 4.47Å; M216-F257 HydrophobicContact SD-CZ 4.46Å; F257-V259 HydrophobicContact CD1-CG2 4.04Å; F257-V259 HydrophobicContact CE1-CB 4.18Å; F257-V259 HydrophobicContact CE1-CG2 3.35Å; F257-V259 HydrophobicContact CE2-CG2 4.09Å; F257-V259 HydrophobicContact CZ-CG2 3.38Å; F257-V259 PolarHBondContact O-N 3.37Å; F257-L262 WeakPolarHBondContact O-CD1 3.28Å
258L90.7Very high85.9Confident4 Ų459.5 Ų59.52%0.02132%0.323CS..  trans-92.788.1-171.2-171.568.7000111.6L188 V209 D211 I256 L262 L293L188-L258 HydrophobicContact CD2-CD2 4.01Å; V209-L258 HydrophobicContact CG1-CD2 4.2Å; D211-L258 HydrophobicContact CB-CD2 4.32Å; I256-L258 HydrophobicContact CD1-CB 4.14Å; I256-L258 HydrophobicContact CD1-CD1 4.41Å; L258-L262 HydrophobicContact CD1-CB 4.47Å; L258-L262 HydrophobicContact CD1-CD1 4.42Å; L258-L262 HydrophobicContact CD1-CG 4.29Å; L258-L293 HydrophobicContact CD2-CD2 4.02Å
259V89.3Confident86.6Confident85 Ų8556.9 Ų56.952%0.51531%0.308SS..SBendtrans-111.4-50.5170.7175.30000111.1M216 F257M216-V259 HydrophobicContact CG-CG2 4.49Å; M216-V259 HydrophobicContact SD-CG2 4.36Å; F257-V259 HydrophobicContact CD1-CG2 4.04Å; F257-V259 HydrophobicContact CE1-CB 4.18Å; F257-V259 HydrophobicContact CE1-CG2 3.35Å; F257-V259 HydrophobicContact CE2-CG2 4.09Å; F257-V259 HydrophobicContact CZ-CG2 3.38Å; F257-V259 PolarHBondContact O-N 3.37Å
260A91.3Very high87.3Confident38 Ų3862.5 Ų62.531%0.31433%0.331SS..SBendtrans-99.6158.1166.800000109.3L262A260-L262 WeakPolarHBondContact O-CG 3.47Å; A260-L262 PolarHBondContact O-N 2.95Å
261P94.4Very high88.2Confident12 Ų1265.9 Ų65.98%0.07833%0.327CS..  trans-59.6131.5176.9-26.936.3000112.9R208 V209 I324 V334 Y336 F339R208-P261 HydrophobicContact CG-CB 4.27Å; V209-P261 CarbonylContact O-C 3.49Å; V209-P261 WeakPolarHBondContact O-CA 3.31Å; V209-P261 WeakPolarHBondContact O-CB 3.48Å; P261-I324 HydrophobicContact CB-CD1 3.75Å; P261-I324 HydrophobicContact CG-CD1 3.79Å; P261-V334 HydrophobicContact CG-CG1 3.83Å; P261-Y336 HydrophobicContact CG-CE1 3.68Å; P261-F339 HydrophobicContact CB-CD2 4.22Å; P261-F339 HydrophobicContact CB-CE2 3.82Å; P261-F339 HydrophobicContact CG-CD2 4.3Å; P261-F339 HydrophobicContact CG-CE2 4.14Å
262L93.7Very high89.1Confident64 Ų6459.5 Ų59.534%0.33530%0.295SS..EExtended strand (participates in β ladder)trans-111.5146.2-177.8-63.7178.8000110.7R208 V209 I256 F257 L258 A260R208-L262 WeakPolarHBondContact CA-O 3.35Å; V209-L262 PolarHBondContact N-O 2.8Å; V209-L262 PolarHBondContact O-N 3.22Å; I256-L262 HydrophobicContact CB-CD1 4.39Å; F257-L262 WeakPolarHBondContact O-CD1 3.28Å; L258-L262 HydrophobicContact CD1-CB 4.47Å; L258-L262 HydrophobicContact CD1-CD1 4.42Å; L258-L262 HydrophobicContact CD1-CG 4.29Å; A260-L262 WeakPolarHBondContact O-CG 3.47Å; A260-L262 PolarHBondContact O-N 2.95Å
263I94.7Very high90.2Very high63 Ų6352.3 Ų52.332%0.32326%0.263SS..EExtended strand (participates in β ladder)trans-92.5110.3168.1-59.9170.6000106.8M206 F207 R208 F321M206-I263 HydrophobicContact CB-CG2 3.81Å; M206-I263 HydrophobicContact CG-CG2 4.05Å; M206-I263 HydrophobicContact SD-CG2 4.2Å; F207-I263 CarbonylContact O-C 3.56Å; F207-I263 WeakPolarHBondContact O-CA 3.42Å; R208-I263 HydrophobicContact CB-CG1 4.5Å; I263-F321 HydrophobicContact CD1-CB 3.89Å; I263-F321 HydrophobicContact CD1-CD2 4.12Å; I263-F321 HydrophobicContact CD1-CG 4.39Å; I263-F321 HydrophobicContact CG1-CD2 4.2Å; I263-F321 HydrophobicContact CG2-CD2 4.17Å
264I94.4Very high90.9Very high8 Ų851 Ų514%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-76132.5171.4-53.2-55.6000107.6M206 F207 V209 V222 I224 V247 I256M206-I264 VanDerWaalsContact CA-O 3.25Å; M206-I264 WeakPolarHBondContact CA-O 3.04Å; F207-I264 HydrophobicContact CD1-CB 4.37Å; F207-I264 HydrophobicContact CD2-CB 4.28Å; F207-I264 HydrophobicContact CD2-CG1 4.43Å; F207-I264 HydrophobicContact CE1-CB 3.86Å; F207-I264 HydrophobicContact CE1-CG2 3.82Å; F207-I264 HydrophobicContact CE2-CB 3.74Å; F207-I264 HydrophobicContact CE2-CG1 3.75Å; F207-I264 HydrophobicContact CE2-CG2 4.26Å; F207-I264 HydrophobicContact CZ-CB 3.53Å; F207-I264 HydrophobicContact CZ-CG1 3.94Å; F207-I264 HydrophobicContact CZ-CG2 3.56Å; F207-I264 PolarHBondContact N-O 3.15Å; F207-I264 VanDerWaalsContact N-O 3.16Å; F207-I264 PolarHBondContact O-N 3.19Å; V209-I264 HydrophobicContact CG2-CG1 3.8Å; V222-I264 HydrophobicContact CG1-CG2 4.15Å; V222-I264 HydrophobicContact CG2-CD1 4.22Å; V222-I264 HydrophobicContact CG2-CG1 4.4Å; I224-I264 HydrophobicContact CD1-CG2 4.43Å; V247-I264 HydrophobicContact CG1-CG2 3.62Å; V247-I264 HydrophobicContact CG2-CG2 4.12Å; I256-I264 HydrophobicContact CD1-CD1 4.17Å; I256-I264 HydrophobicContact CG2-CD1 3.93Å
265C92.9Very high91.4Very high9 Ų949.6 Ų49.66%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-123.2132.9-174.5-175.40000108.8C204 M206 V247 D248C204-C265 VanDerWaalsContact CB-SG 3.58Å; M206-C265 HydrophobicContact CG-CB 4.21Å; V247-C265 WeakPolarHBondContact CG1-O 3.37Å; D248-C265 VanDerWaalsContact CB-O 3.27Å; D248-C265 WeakPolarHBondContact CB-O 3.39Å; D248-C265 PolarHBondContact N-O 2.98Å
266H93.3Very high91.6Very high4 Ų450 Ų502%0.01925%0.246CC..EExtended strand (participates in β ladder)trans-119.3123.4168165.259.6000108C204 F205 I224 I245 P246 S272C204-H266 CarbonylContact C-O 3.57Å; C204-H266 VanDerWaalsContact CA-O 3.22Å; C204-H266 WeakPolarHBondContact CA-O 3.13Å; F205-H266 HydrophobicContact CB-CB 4.39Å; F205-H266 HydrophobicContact CD1-CB 4.48Å; F205-H266 PolarHBondContact N-O 2.88Å; F205-H266 PolarHBondContact O-N 3.16Å; I224-H266 HydrophobicContact CD1-CB 4.28Å; I245-H266 HydrophobicContact CG2-CB 4.13Å; I245-H266 VanDerWaalsContact CG2-CD2 3.46Å; I245-H266 WeakPolarHBondContact CG2-CD2 3.35Å; I245-H266 WeakPolarHBondContact CG2-CE1 3.42Å; I245-H266 WeakPolarHBondContact CG2-ND1 3.28Å; I245-H266 WeakPolarHBondContact CG2-NE2 3.39Å; P246-H266 PolarHBondContact O-ND1 3.17Å; H266-S272 WeakPolarHBondContact NE2-CB 3.26Å; H266-S272 PolarHBondContact NE2-OG 3.4Å
267V92.6Very high91.7Very high22 Ų2249 Ų4913%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-79.2121.8174.4173.20000108.7K202 D248 D269K202-V267 HydrophobicContact CB-CG1 4.06Å; K202-V267 HydrophobicContact CD-CG1 3.6Å; K202-V267 HydrophobicContact CG-CG1 4.47Å; D248-V267 HydrophobicContact CB-CG2 3.84Å; D248-V267 WeakPolarHBondContact OD2-CG2 3.08Å; V267-D269 VanDerWaalsContact C-N 3.3Å; V267-D269 PolarHBondContact O-N 3.28Å
268I93.3Very high91.8Very high8 Ų842.4 Ų42.44%0.04121%0.214CC..  trans-77.686.8177.4-55.7172.1000107.6I196 L203 F205 L274 A352I196-I268 HydrophobicContact CG2-CD1 4.38Å; L203-I268 HydrophobicContact CD2-CD1 3.91Å; L203-I268 HydrophobicContact CG-CD1 4.11Å; L203-I268 WeakPolarHBondContact O-CB 3.1Å; L203-I268 PolarHBondContact O-N 3.15Å; F205-I268 HydrophobicContact CB-CD1 4.45Å; I268-L274 HydrophobicContact CD1-CB 4.38Å; I268-L274 HydrophobicContact CG1-CB 4.41Å; I268-L274 HydrophobicContact CG2-CB 4Å; I268-A352 HydrophobicContact CB-CB 4.15Å; I268-A352 HydrophobicContact CG2-CB 3.55Å
269D89.8Confident91.8Very high37 Ų3743.3 Ų43.320%0.19822%0.222CC..  trans-93.7179.3174.975.1-8.4000111.5V267 R271 S272 Y275V267-D269 VanDerWaalsContact C-N 3.3Å; V267-D269 PolarHBondContact O-N 3.28Å; D269-R271 PolarHBondContact O-N 2.89Å; D269-R271 VanDerWaalsContact O-N 3.08Å; D269-R271 WeakPolarHBondContact OD1-CA 3.27Å; D269-R271 WeakPolarHBondContact OD1-CB 3.39Å; D269-R271 PolarHBondContact OD1-N 3.06Å; D269-R271 IonicContact OD2-CZ 2.54Å; D269-R271 IonicContact OD2-NE 3.04Å; D269-R271 PolarHBondContact OD2-NE 2.87Å; D269-R271 IonicContact OD2-NH2 3.48Å; D269-R271 PolarHBondContact OD2-NH2 2.97Å; D269-S272 VanDerWaalsContact O-CB 3.27Å; D269-S272 WeakPolarHBondContact O-CB 3.26Å; D269-S272 PolarHBondContact O-N 3.38Å; D269-S272 PolarHBondContact OD1-N 3.24Å; D269-Y275 VanDerWaalsContact C-CD2 3.43Å; D269-Y275 WeakPolarHBondContact O-CB 3.42Å; D269-Y275 WeakPolarHBondContact O-CD2 3.48Å
270K90.4Very high91.8Very high159 Ų15942.4 Ų42.469%0.69122%0.223SC*.THydrogen-bonded Turntrans-57.4-20.7177-70.3177.5179.8-1760114.4Y275K270-Y275 HydrophobicContact CB-CE1 4.43Å; K270-Y275 WeakPolarHBondContact CE-OH 3.4Å; K270-Y275 HydrophobicContact CG-CE1 3.84Å; K270-Y275 HydrophobicContact CG-CE2 3.87Å; K270-Y275 VanDerWaalsContact CG-CZ 3.43Å; K270-Y275 WeakPolarHBondContact CG-OH 3.32Å
271R87.8Confident91.8Very high200 Ų20043.7 Ų43.776%0.75523%0.225SC*.THydrogen-bonded Turntrans-90.5-17.7179.5-63.8175.7-69.8-167.71.5111.6D269D269-R271 PolarHBondContact O-N 2.89Å; D269-R271 VanDerWaalsContact O-N 3.08Å; D269-R271 WeakPolarHBondContact OD1-CA 3.27Å; D269-R271 WeakPolarHBondContact OD1-CB 3.39Å; D269-R271 PolarHBondContact OD1-N 3.06Å; D269-R271 IonicContact OD2-CZ 2.54Å; D269-R271 IonicContact OD2-NE 3.04Å; D269-R271 PolarHBondContact OD2-NE 2.87Å; D269-R271 IonicContact OD2-NH2 3.48Å; D269-R271 PolarHBondContact OD2-NH2 2.97Å
272S90.4Very high91.6Very high5 Ų543.5 Ų43.54%0.03522%0.224CC..SBendtrans-69.2134.2178-174.20000111.4H266 D269 L274 Y275H266-S272 WeakPolarHBondContact NE2-CB 3.26Å; H266-S272 PolarHBondContact NE2-OG 3.4Å; D269-S272 VanDerWaalsContact O-CB 3.27Å; D269-S272 WeakPolarHBondContact O-CB 3.26Å; D269-S272 PolarHBondContact O-N 3.38Å; D269-S272 PolarHBondContact OD1-N 3.24Å; S272-L274 PolarHBondContact O-N 3.22Å; S272-L274 PolarHBondContact OG-N 3.48Å; S272-Y275 VanDerWaalsContact O-CB 3.25Å; S272-Y275 WeakPolarHBondContact O-CB 3.25Å; S272-Y275 PolarHBondContact O-N 2.85Å; S272-Y275 VanDerWaalsContact O-N 3.07Å
273P89.5Confident91.2Very high21 Ų2143.4 Ų43.414%0.13623%0.232CC..THydrogen-bonded Turntrans-67.3-7.1174.229.9-35.9000113.1V226 R228 V243 I245V226-P273 HydrophobicContact CB-CG 4.1Å; V226-P273 HydrophobicContact CG2-CB 4.49Å; V226-P273 HydrophobicContact CG2-CG 3.44Å; V226-P273 VanDerWaalsContact CG2-CG 3.44Å; R228-P273 PolarHBondContact NH1-O 3.22Å; V243-P273 HydrophobicContact CG1-CG 4.27Å; I245-P273 HydrophobicContact CD1-CG 3.77Å; I245-P273 HydrophobicContact CG1-CG 3.88Å
274L91.3Very high90.8Very high8 Ų846.3 Ų46.34%0.04225%0.247CC..THydrogen-bonded Turntrans-91.2-0.5175.4-56.1177.2000113.2F205 I245 I268 S272 D276 I277 L287 L289F205-L274 HydrophobicContact CB-CD1 4.47Å; I245-L274 HydrophobicContact CD1-CD1 4.22Å; I245-L274 HydrophobicContact CD1-CG 4.32Å; I268-L274 HydrophobicContact CD1-CB 4.38Å; I268-L274 HydrophobicContact CG1-CB 4.41Å; I268-L274 HydrophobicContact CG2-CB 4Å; S272-L274 PolarHBondContact O-N 3.22Å; S272-L274 PolarHBondContact OG-N 3.48Å; L274-D276 PolarHBondContact O-N 3.46Å; L274-I277 HydrophobicContact CB-CD1 4.48Å; L274-I277 HydrophobicContact CD2-CD1 3.69Å; L274-I277 PolarHBondContact O-N 3.49Å; L274-L287 HydrophobicContact CD2-CD1 3.76Å; L274-L287 HydrophobicContact CD2-CD2 4.01Å; L274-L289 HydrophobicContact CD1-CD1 4.38Å
275Y92.7Very high90.3Very high24 Ų2449.6 Ų49.69%0.09426%0.262CS..THydrogen-bonded Turntrans-59.5-42.2-170.3-172.2-118.6000114.5D269 K270 S272 I277 A352 R353 D356D269-Y275 VanDerWaalsContact C-CD2 3.43Å; D269-Y275 WeakPolarHBondContact O-CB 3.42Å; D269-Y275 WeakPolarHBondContact O-CD2 3.48Å; K270-Y275 HydrophobicContact CB-CE1 4.43Å; K270-Y275 WeakPolarHBondContact CE-OH 3.4Å; K270-Y275 HydrophobicContact CG-CE1 3.84Å; K270-Y275 HydrophobicContact CG-CE2 3.87Å; K270-Y275 VanDerWaalsContact CG-CZ 3.43Å; K270-Y275 WeakPolarHBondContact CG-OH 3.32Å; S272-Y275 VanDerWaalsContact O-CB 3.25Å; S272-Y275 WeakPolarHBondContact O-CB 3.25Å; S272-Y275 PolarHBondContact O-N 2.85Å; S272-Y275 VanDerWaalsContact O-N 3.07Å; Y275-I277 VanDerWaalsContact C-N 3.35Å; Y275-A352 HydrophobicContact CD2-CB 3.76Å; Y275-A352 HydrophobicContact CE2-CB 4.11Å; Y275-A352 PolarHBondContact O-N 3.24Å; Y275-R353 HydrophobicContact CD1-CB 3.79Å; Y275-R353 HydrophobicContact CD1-CG 4.34Å; Y275-R353 HydrophobicContact CE1-CB 3.45Å; Y275-R353 VanDerWaalsContact CE1-CB 3.45Å; Y275-R353 HydrophobicContact CE1-CG 3.69Å; Y275-R353 HydrophobicContact CE2-CB 4.38Å; Y275-R353 HydrophobicContact CG-CB 4.4Å; Y275-R353 VanDerWaalsContact CZ-CA 3.43Å; Y275-R353 PolarHBondContact O-N 3.48Å; Y275-D356 VanDerWaalsContact CE2-OD2 3.22Å; Y275-D356 WeakPolarHBondContact CE2-OD2 3.33Å; Y275-D356 WeakPolarHBondContact OH-CB 3.34Å; Y275-D356 PolarHBondContact OH-OD2 3.45Å
276D91.6Very high89.9Confident96 Ų9654.1 Ų54.151%0.51329%0.286SS..THydrogen-bonded Turntrans-86.8-1.2-177.5-63.1-58.1000113.6L274 R353L274-D276 PolarHBondContact O-N 3.46Å; D276-R353 WeakPolarHBondContact OD1-CD 3.31Å; D276-R353 IonicContact OD1-NH1 3.33Å; D276-R353 PolarHBondContact OD1-NH1 3.44Å
277I91.5Very high89.8Confident8 Ų854.2 Ų54.24%0.04129%0.287CS..  trans-86.8121.5-172.3-57.3178000110.6L274 Y275 D281 L282 Q285 L287 S351L274-I277 HydrophobicContact CB-CD1 4.48Å; L274-I277 HydrophobicContact CD2-CD1 3.69Å; L274-I277 PolarHBondContact O-N 3.49Å; Y275-I277 VanDerWaalsContact C-N 3.35Å; I277-D281 HydrophobicContact CG2-CB 4.34Å; I277-L282 HydrophobicContact CG2-CB 3.85Å; I277-L282 HydrophobicContact CG2-CD1 4.22Å; I277-Q285 VanDerWaalsContact CD1-OE1 3.25Å; I277-L287 HydrophobicContact CD1-CD1 4Å; I277-S351 WeakPolarHBondContact O-CA 3.39Å
278S92.6Very high89.8Confident15 Ų1554 Ų5411%0.10528%0.284CS..  trans-86.6169.2171.279.90000112.5A280 D281 L282S278-A280 PolarHBondContact O-N 3.45Å; S278-A280 PolarHBondContact OG-N 3.22Å; S278-D281 WeakPolarHBondContact CB-OD2 3.38Å; S278-D281 PolarHBondContact N-OD2 2.96Å; S278-D281 PolarHBondContact O-N 3.37Å; S278-D281 PolarHBondContact OG-N 3.44Å; S278-D281 PolarHBondContact OG-OD2 3.15Å; S278-L282 WeakPolarHBondContact O-CB 3.37Å; S278-L282 PolarHBondContact O-N 3.16Å
279A90.6Very high89.9Confident23 Ų2353.6 Ų53.619%0.1928%0.282CS..Hα-helixtrans-61.5-31.517700000113.2W317 R349A279-W317 HydrophobicContact CB-CB 4.29Å; A279-W317 HydrophobicContact CB-CD2 3.53Å; A279-W317 HydrophobicContact CB-CE3 4.02Å; A279-W317 HydrophobicContact CB-CG 3.63Å; A279-W317 HydrophobicContact CB-CZ2 4.24Å; A279-R349 HydrophobicContact CB-CB 4.04Å; A279-R349 HydrophobicContact CB-CG 4.33Å; A279-R349 WeakPolarHBondContact CB-O 3.49Å; A279-R349 PolarHBondContact N-O 2.98Å; A279-R349 VanDerWaalsContact N-O 3.15Å
280A89.8Confident90.1Very high66 Ų6651.9 Ų51.955%0.54527%0.273SS..Hα-helixtrans-77.4-41.5177.900000111S278 L282 A283S278-A280 PolarHBondContact O-N 3.45Å; S278-A280 PolarHBondContact OG-N 3.22Å; A280-L282 VanDerWaalsContact C-N 3.35Å; A280-L282 PolarHBondContact O-N 2.98Å; A280-A283 PolarHBondContact O-N 2.99Å
281D90.1Very high90.4Very high66 Ų6644.3 Ų44.335%0.35324%0.24SC..Hα-helixtrans-67.9-36.9-179-58.3-37.8000111.7I277 S278 A283 L284 Q285I277-D281 HydrophobicContact CG2-CB 4.34Å; S278-D281 WeakPolarHBondContact CB-OD2 3.38Å; S278-D281 PolarHBondContact N-OD2 2.96Å; S278-D281 PolarHBondContact O-N 3.37Å; S278-D281 PolarHBondContact OG-N 3.44Å; S278-D281 PolarHBondContact OG-OD2 3.15Å; D281-A283 PolarHBondContact O-N 3.43Å; D281-L284 CarbonylContact O-C 3.56Å; D281-L284 PolarHBondContact O-N 2.93Å; D281-Q285 WeakPolarHBondContact O-CB 3.3Å; D281-Q285 WeakPolarHBondContact O-CG 3.24Å; D281-Q285 PolarHBondContact O-N 3.49Å
282L89.7Confident90.7Very high8 Ų835.3 Ų35.34%0.04221%0.207CC..Hα-helixtrans-54.2-38.7177.5-176.764.1000112.1I196 I277 S278 A280 L284 L287 A312 I315 W317I196-L282 HydrophobicContact CD1-CD2 3.95Å; I277-L282 HydrophobicContact CG2-CB 3.85Å; I277-L282 HydrophobicContact CG2-CD1 4.22Å; S278-L282 WeakPolarHBondContact O-CB 3.37Å; S278-L282 PolarHBondContact O-N 3.16Å; A280-L282 VanDerWaalsContact C-N 3.35Å; A280-L282 PolarHBondContact O-N 2.98Å; L282-L284 VanDerWaalsContact C-N 3.28Å; L282-L284 PolarHBondContact O-N 3.4Å; L282-L287 HydrophobicContact CD1-CD2 4.36Å; L282-A312 WeakPolarHBondContact O-CB 3.34Å; L282-I315 HydrophobicContact CD1-CD1 4.31Å; L282-I315 HydrophobicContact CD2-CB 4.09Å; L282-I315 HydrophobicContact CD2-CG2 3.82Å; L282-W317 HydrophobicContact CD2-CE3 3.95Å; L282-W317 HydrophobicContact CD2-CZ3 4.45Å
283A85.7Confident90.9Very high61 Ų6135.1 Ų35.150%0.50421%0.206SC..THydrogen-bonded Turntrans-75.2-16.2-18000000113.9A280 D281A280-A283 PolarHBondContact O-N 2.99Å; D281-A283 PolarHBondContact O-N 3.43Å
284L86Confident91.1Very high125 Ų12536.8 Ų36.865%0.65421%0.212SC*.THydrogen-bonded Turntrans-101.9-26.5-179.5-65.3173.3000112.4D281 L282D281-L284 CarbonylContact O-C 3.56Å; D281-L284 PolarHBondContact O-N 2.93Å; L282-L284 VanDerWaalsContact C-N 3.28Å; L282-L284 PolarHBondContact O-N 3.4Å
285Q84.1Confident91.2Very high76 Ų7636.8 Ų36.836%0.35521%0.214SC..SBendtrans-77.3145.5-176.9-76.8-169.21.300113.4I277 D281 L287I277-Q285 VanDerWaalsContact CD1-OE1 3.25Å; D281-Q285 WeakPolarHBondContact O-CB 3.3Å; D281-Q285 WeakPolarHBondContact O-CG 3.24Å; D281-Q285 PolarHBondContact O-N 3.49Å; Q285-L287 PolarHBondContact O-N 3.13Å
286D85.8Confident91.2Very high104 Ų10437.4 Ų37.456%0.55622%0.22SC*.  trans-88.684.9171.1-76.2-25.2000110.2K33K33-D286 VanDerWaalsContact CD-OD1 3.26Å; K33-D286 WeakPolarHBondContact CD-OD1 3.08Å; K33-D286 WeakPolarHBondContact CE-OD1 3.44Å; K33-D286 IonicContact NZ-OD1 2.75Å; K33-D286 PolarHBondContact NZ-OD1 2.85Å; K33-D286 IonicContact NZ-OD2 2.98Å; K33-D286 PolarHBondContact NZ-OD2 2.96Å
287L89.8Confident91.1Very high7 Ų732.9 Ų32.94%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-126.2133.5-179-176.2123000110.4V226 L274 I277 L282 Q285 L289 A312 I315V226-L287 HydrophobicContact CG1-CD1 3.44Å; V226-L287 VanDerWaalsContact CG1-CD1 3.44Å; V226-L287 HydrophobicContact CG1-CG 3.93Å; L274-L287 HydrophobicContact CD2-CD1 3.76Å; L274-L287 HydrophobicContact CD2-CD2 4.01Å; I277-L287 HydrophobicContact CD1-CD1 4Å; L282-L287 HydrophobicContact CD1-CD2 4.36Å; Q285-L287 PolarHBondContact O-N 3.13Å; L287-L289 HydrophobicContact CD2-CD1 4.26Å; L287-L289 HydrophobicContact CD2-CD2 4.31Å; L287-L289 HydrophobicContact CD2-CG 3.88Å; L287-A312 PolarHBondContact O-N 3.39Å; L287-A312 VanDerWaalsContact O-N 3.14Å; L287-I315 HydrophobicContact CD2-CD1 4.16Å
288E93.6Very high90.9Very high17 Ų1736.8 Ų36.88%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-126.7124172-176.2172.4173.600109.4R35 F36 I37 V227 S309 Y310 I311R35-E288 WeakPolarHBondContact CG-OE1 3.29Å; F36-E288 WeakPolarHBondContact CB-OE2 3.29Å; F36-E288 PolarHBondContact N-OE1 3.4Å; F36-E288 PolarHBondContact N-OE2 2.94Å; I37-E288 PolarHBondContact N-OE1 3.48Å; V227-E288 HydrophobicContact CB-CB 4.45Å; V227-E288 PolarHBondContact N-O 3.26Å; V227-E288 PolarHBondContact O-N 3.31Å; E288-S309 WeakPolarHBondContact OE1-CB 3.33Å; E288-S309 PolarHBondContact OE1-OG 3.4Å; E288-Y310 WeakPolarHBondContact CA-O 3.27Å; E288-I311 HydrophobicContact CG-CG2 4.35Å
289L94.6Very high90.6Very high0 Ų040.2 Ų40.20%023%0.234CC..EExtended strand (participates in β ladder)trans-98115.9174.6-68.1171.3000109.2F205 Q225 V226 I245 L274 L287 S309 Y310 I315F205-L289 HydrophobicContact CD1-CD1 4.36Å; F205-L289 HydrophobicContact CD2-CD1 3.86Å; F205-L289 HydrophobicContact CE1-CD1 3.87Å; F205-L289 HydrophobicContact CE2-CD1 3.3Å; F205-L289 HydrophobicContact CG-CD1 4.36Å; F205-L289 HydrophobicContact CZ-CB 4.42Å; F205-L289 HydrophobicContact CZ-CD1 3.32Å; F205-L289 HydrophobicContact CZ-CG 4.47Å; Q225-L289 CarbonylContact O-C 3.55Å; Q225-L289 WeakPolarHBondContact O-CA 3.41Å; V226-L289 HydrophobicContact CB-CD2 3.98Å; V226-L289 HydrophobicContact CG1-CD2 4.02Å; V226-L289 HydrophobicContact CG2-CD2 3.33Å; I245-L289 HydrophobicContact CD1-CD2 4.43Å; L274-L289 HydrophobicContact CD1-CD1 4.38Å; L287-L289 HydrophobicContact CD2-CD1 4.26Å; L287-L289 HydrophobicContact CD2-CD2 4.31Å; L287-L289 HydrophobicContact CD2-CG 3.88Å; L289-S309 CarbonylContact O-C 3.57Å; L289-S309 WeakPolarHBondContact O-CA 3.46Å; L289-Y310 PolarHBondContact N-O 3.19Å; L289-Y310 PolarHBondContact O-N 3.5Å; L289-I315 HydrophobicContact CD1-CD1 3.63Å; L289-I315 HydrophobicContact CG-CD1 4.34Å
290I95.6Very high90.5Very high1 Ų142.3 Ų42.31%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-91.2131.8174.5-59.9170000108.3F36 I37 I224 Q225 V227 V292F36-I290 HydrophobicContact CD1-CD1 3.5Å; F36-I290 VanDerWaalsContact CD1-CD1 3.5Å; F36-I290 HydrophobicContact CE1-CD1 3.83Å; I37-I290 HydrophobicContact CD1-CB 4.37Å; I37-I290 HydrophobicContact CD1-CD1 3.71Å; I37-I290 HydrophobicContact CD1-CG1 3.95Å; I37-I290 HydrophobicContact CD1-CG2 3.51Å; I37-I290 HydrophobicContact CG1-CD1 4.47Å; I224-I290 CarbonylContact C-O 3.52Å; I224-I290 WeakPolarHBondContact CA-O 3.26Å; Q225-I290 HydrophobicContact CB-CB 4.41Å; Q225-I290 PolarHBondContact N-O 3.06Å; Q225-I290 PolarHBondContact O-N 3.18Å; V227-I290 HydrophobicContact CB-CD1 4.48Å; V227-I290 HydrophobicContact CG2-CD1 3.3Å; V227-I290 HydrophobicContact CG2-CG1 3.99Å; I290-V292 HydrophobicContact CG2-CG2 3.92Å
291V95.3Very high90.4Very high0 Ų041.7 Ų41.70%025%0.245CC..EExtended strand (participates in β ladder)trans-115.6131.2173175.40000108.1F190 F207 V222 I224 R307 T308 Y310F190-V291 HydrophobicContact CD1-CG1 4.2Å; F190-V291 HydrophobicContact CE1-CG1 3.81Å; F207-V291 HydrophobicContact CD1-CG2 4.15Å; F207-V291 HydrophobicContact CD2-CG1 4.22Å; F207-V291 HydrophobicContact CD2-CG2 4.42Å; F207-V291 HydrophobicContact CE1-CG1 4.29Å; F207-V291 HydrophobicContact CE1-CG2 3.75Å; F207-V291 HydrophobicContact CE2-CB 4.3Å; F207-V291 HydrophobicContact CE2-CG1 3.35Å; F207-V291 HydrophobicContact CE2-CG2 4.07Å; F207-V291 HydrophobicContact CG-CG2 4.46Å; F207-V291 HydrophobicContact CZ-CB 4.2Å; F207-V291 HydrophobicContact CZ-CG1 3.38Å; F207-V291 HydrophobicContact CZ-CG2 3.7Å; V222-V291 HydrophobicContact CG1-CG1 4.26Å; I224-V291 HydrophobicContact CG1-CG2 4.46Å; V291-R307 VanDerWaalsContact O-CA 3.31Å; V291-R307 WeakPolarHBondContact O-CA 3.22Å; V291-T308 HydrophobicContact CB-CG2 4.1Å; V291-T308 PolarHBondContact N-O 2.96Å; V291-T308 PolarHBondContact O-N 2.97Å; V291-Y310 HydrophobicContact CG2-CD2 4.09Å; V291-Y310 HydrophobicContact CG2-CE2 3.85Å
292V95.2Very high90.4Very high11 Ų1141.4 Ų41.47%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-124.5122.9178.6-173.60000108.1V222 R223 I290 E294 Q305 R307V222-V292 CarbonylContact C-O 3.59Å; V222-V292 WeakPolarHBondContact CA-O 3.26Å; R223-V292 HydrophobicContact CB-CB 4.39Å; R223-V292 PolarHBondContact N-O 3.15Å; R223-V292 PolarHBondContact O-N 2.77Å; I290-V292 HydrophobicContact CG2-CG2 3.92Å; V292-E294 HydrophobicContact CG1-CG 4.05Å; V292-Q305 HydrophobicContact CG1-CG 3.44Å; V292-Q305 VanDerWaalsContact CG1-CG 3.44Å; V292-Q305 VanDerWaalsContact CG1-NE2 3.3Å; V292-R307 HydrophobicContact CB-CG 4.44Å; V292-R307 HydrophobicContact CG1-CG 4.06Å; V292-R307 HydrophobicContact CG2-CG 4.12Å
293L94.3Very high90.4Very high1 Ų146.2 Ų46.21%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-107.4120.8169.7173.469.6000107.9L188 F190 V209 A220 S221 V222 I256 L258 Q305 A306L188-L293 HydrophobicContact CB-CD2 4.38Å; L188-L293 HydrophobicContact CD1-CD2 3.81Å; L188-L293 HydrophobicContact CD2-CD2 3.96Å; L188-L293 HydrophobicContact CG-CD2 4.26Å; F190-L293 HydrophobicContact CE1-CB 4.22Å; F190-L293 HydrophobicContact CZ-CB 3.97Å; V209-L293 HydrophobicContact CG1-CD2 3.89Å; A220-L293 HydrophobicContact CB-CD1 4.26Å; S221-L293 WeakPolarHBondContact O-CA 3.3Å; V222-L293 HydrophobicContact CG2-CD1 3.6Å; I256-L293 HydrophobicContact CD1-CD1 3.93Å; I256-L293 HydrophobicContact CG1-CD1 4.5Å; L258-L293 HydrophobicContact CD2-CD2 4.02Å; L293-Q305 CarbonylContact O-C 3.48Å; L293-Q305 WeakPolarHBondContact O-CA 3.35Å; L293-A306 PolarHBondContact N-O 2.87Å; L293-A306 PolarHBondContact O-N 3.48Å
294E93.6Very high90.7Very high55 Ų5543.9 Ų43.926%0.25725%0.252SS..EExtended strand (participates in β ladder)trans-112.8147.1175.8-72.3172.5-17900109.5A220 S221 R223 V292 T304 Q305A220-E294 CarbonylContact C-O 3.54Å; A220-E294 VanDerWaalsContact CA-O 3.28Å; A220-E294 WeakPolarHBondContact CA-O 3.44Å; S221-E294 PolarHBondContact N-O 2.95Å; S221-E294 PolarHBondContact O-N 3.04Å; R223-E294 IonicContact CZ-OE2 3.56Å; R223-E294 IonicContact NE-OE2 3.62Å; R223-E294 IonicContact NH2-OE2 2.75Å; V292-E294 HydrophobicContact CG1-CG 4.05Å; E294-T304 WeakPolarHBondContact CA-O 3.36Å; E294-Q305 HydrophobicContact CG-CB 4.26Å; E294-Q305 HydrophobicContact CG-CG 3.79Å; E294-Q305 PolarHBondContact OE1-NE2 2.88Å
295G92.8Very high91Very high8 Ų841.4 Ų41.48%0.08224%0.237CC..EExtended strand (participates in β ladder)trans179.3172.9172.300000112.4T303 T304G295-T303 CarbonylContact O-C 3.54Å; G295-T303 WeakPolarHBondContact O-CA 3.37Å; G295-T304 PolarHBondContact N-O 3.47Å; G295-T304 PolarHBondContact O-N 2.9Å
296V92.1Very high91.5Very high38 Ų3838 Ų3823%0.2322%0.222CC..EExtended strand (participates in β ladder)trans-100.3128.7-179.4-179.50000109.6I217 I218 E298 G301 T303I217-V296 CarbonylContact C-O 3.57Å; I217-V296 WeakPolarHBondContact CA-O 3.36Å; I218-V296 HydrophobicContact CB-CB 4.32Å; I218-V296 PolarHBondContact N-O 3.38Å; I218-V296 PolarHBondContact O-N 2.99Å; V296-E298 PolarHBondContact O-N 3.48Å; V296-G301 VanDerWaalsContact CG1-C 3.49Å; V296-G301 WeakPolarHBondContact CG1-O 3.43Å; V296-T303 HydrophobicContact CG2-CG2 3.76Å
297V90.5Very high91.9Very high0 Ų037.3 Ų37.30%021%0.212CC..EExtended strand (participates in β ladder)trans-74.9120.9176.5179.40000109.5A181 R184 I217 T299 T300 G301 I302 T304A181-V297 HydrophobicContact CB-CG2 4.27Å; R184-V297 HydrophobicContact CB-CG2 4.04Å; R184-V297 HydrophobicContact CG-CG1 4.22Å; R184-V297 HydrophobicContact CG-CG2 4.1Å; I217-V297 HydrophobicContact CD1-CG2 4.07Å; V297-T299 VanDerWaalsContact C-N 3.28Å; V297-T299 PolarHBondContact O-N 3.24Å; V297-T299 VanDerWaalsContact O-N 3.15Å; V297-T300 WeakPolarHBondContact CB-OG1 3.01Å; V297-T300 PolarHBondContact O-N 2.93Å; V297-T300 VanDerWaalsContact O-N 3.17Å; V297-G301 PolarHBondContact O-N 3.43Å; V297-I302 PolarHBondContact N-O 2.95Å; V297-T304 HydrophobicContact CG2-CG2 3.65Å
298E88.2Confident92.2Very high90 Ų9037.1 Ų37.142%0.42121%0.211SC..THydrogen-bonded Turntrans-49.9-43.1-176.2176.2179-147.400113.9M216 I218 V296M216-E298 WeakPolarHBondContact CE-OE1 3.34Å; M216-E298 PolarHBondContact N-OE2 3.35Å; M216-E298 VanDerWaalsContact O-CB 3.23Å; M216-E298 WeakPolarHBondContact O-CB 3.21Å; M216-E298 PolarHBondContact O-N 3.49Å; I218-E298 HydrophobicContact CD1-CB 4.04Å; I218-E298 HydrophobicContact CD1-CG 4.25Å; I218-E298 HydrophobicContact CG1-CB 4.24Å; V296-E298 PolarHBondContact O-N 3.48Å
299T86.5Confident92.2Very high88 Ų8836.3 Ų36.354%0.5421%0.207SC..THydrogen-bonded Turntrans-75.8-26.5-174.555.10000114.5R184 V297R184-T299 PolarHBondContact NH2-OG1 3.44Å; V297-T299 VanDerWaalsContact C-N 3.28Å; V297-T299 PolarHBondContact O-N 3.24Å; V297-T299 VanDerWaalsContact O-N 3.15Å
300T86.4Confident92.3Very high66 Ų6636.3 Ų36.341%0.40521%0.207SC..THydrogen-bonded Turntrans-115.8-16.9-171.748.70000113.3V297 I302V297-T300 WeakPolarHBondContact CB-OG1 3.01Å; V297-T300 PolarHBondContact O-N 2.93Å; V297-T300 VanDerWaalsContact O-N 3.17Å; T300-I302 PolarHBondContact O-N 3.42Å
301G88.6Confident92.2Very high54 Ų5438.3 Ų38.356%0.55722%0.218SC*.  trans67.9-0.1-174.200000114.6V296 V297V296-G301 VanDerWaalsContact CG1-C 3.49Å; V296-G301 WeakPolarHBondContact CG1-O 3.43Å; V297-G301 PolarHBondContact O-N 3.43Å
302I89.4Confident92Very high59 Ų5938.9 Ų38.930%0.30322%0.222SC..  trans-82.6136178.8-64167.1000109.6A179 A181 V297 T300A179-I302 HydrophobicContact CB-CD1 4.05Å; A179-I302 WeakPolarHBondContact O-CD1 3.46Å; A181-I302 HydrophobicContact CB-CG2 4.18Å; V297-I302 PolarHBondContact N-O 2.95Å; T300-I302 PolarHBondContact O-N 3.42Å
303T91.5Very high91.8Very high109 Ų10944.9 Ų44.967%0.66925%0.249SC*.EExtended strand (participates in β ladder)trans-69.9135.6172.348.80000110.5G295 V296G295-T303 CarbonylContact O-C 3.54Å; G295-T303 WeakPolarHBondContact O-CA 3.37Å; V296-T303 HydrophobicContact CG2-CG2 3.76Å
304T91.1Very high91.7Very high13 Ų1346.2 Ų46.28%0.0826%0.256CS..EExtended strand (participates in β ladder)trans-126.1149.4176.2-167.80000109.8L188 E294 G295 V297L188-T304 HydrophobicContact CD1-CG2 4.43Å; E294-T304 WeakPolarHBondContact CA-O 3.36Å; G295-T304 PolarHBondContact N-O 3.47Å; G295-T304 PolarHBondContact O-N 2.9Å; V297-T304 HydrophobicContact CG2-CG2 3.65Å
305Q92.2Very high91.8Very high72 Ų7244.1 Ų44.134%0.33625%0.246SC..EExtended strand (participates in β ladder)trans-128.4122.3178.1-171.1-173.569.900109V292 L293 E294 R307V292-Q305 HydrophobicContact CG1-CG 3.44Å; V292-Q305 VanDerWaalsContact CG1-CG 3.44Å; V292-Q305 VanDerWaalsContact CG1-NE2 3.3Å; L293-Q305 CarbonylContact O-C 3.48Å; L293-Q305 WeakPolarHBondContact O-CA 3.35Å; E294-Q305 HydrophobicContact CG-CB 4.26Å; E294-Q305 HydrophobicContact CG-CG 3.79Å; E294-Q305 PolarHBondContact OE1-NE2 2.88Å; Q305-R307 HydrophobicContact CG-CG 4.08Å
306A93.6Very high91.9Very high4 Ų445.4 Ų45.43%0.03325%0.251CS..EExtended strand (participates in β ladder)trans-108135.5171.500000109.1A185 L188 F190 L293A185-A306 HydrophobicContact CB-CB 4.31Å; L188-A306 HydrophobicContact CB-CB 3.83Å; L188-A306 HydrophobicContact CD1-CB 3.83Å; L188-A306 HydrophobicContact CG-CB 4.48Å; F190-A306 HydrophobicContact CE2-CB 3.85Å; F190-A306 HydrophobicContact CZ-CB 3.93Å; L293-A306 PolarHBondContact N-O 2.87Å; L293-A306 PolarHBondContact O-N 3.48Å
307R94.8Very high92Very high90 Ų9045.7 Ų45.734%0.3425%0.248SC..EExtended strand (participates in β ladder)trans-129.9147.7-175.1-62.2178.3-67-137.73110.7G41 V291 V292 Q305G41-R307 WeakPolarHBondContact CA-O 3.43Å; G41-R307 PolarHBondContact N-O 3.41Å; V291-R307 VanDerWaalsContact O-CA 3.31Å; V291-R307 WeakPolarHBondContact O-CA 3.22Å; V292-R307 HydrophobicContact CB-CG 4.44Å; V292-R307 HydrophobicContact CG1-CG 4.06Å; V292-R307 HydrophobicContact CG2-CG 4.12Å; Q305-R307 HydrophobicContact CG-CG 4.08Å
308T95.6Very high92.2Very high3 Ų346.1 Ų46.12%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-149.4168.3166.7-159.70000109.6K39 F190 V291 Y310K39-T308 PolarHBondContact O-OG1 3.08Å; F190-T308 HydrophobicContact CB-CG2 3.61Å; F190-T308 HydrophobicContact CD1-CG2 3.72Å; F190-T308 HydrophobicContact CD2-CG2 3.78Å; F190-T308 HydrophobicContact CE1-CG2 4.33Å; F190-T308 HydrophobicContact CE2-CG2 4.36Å; F190-T308 HydrophobicContact CG-CG2 3.42Å; F190-T308 VanDerWaalsContact CG-CG2 3.42Å; V291-T308 HydrophobicContact CB-CG2 4.1Å; V291-T308 PolarHBondContact N-O 2.96Å; V291-T308 PolarHBondContact O-N 2.97Å; T308-Y310 HydrophobicContact CG2-CE2 3.79Å
309S95.4Very high92.5Very high0 Ų043.1 Ų43.10%024%0.238CC..EExtended strand (participates in β ladder)trans-133.9153171.782.40000112.9R35 I37 K39 E288 L289R35-S309 WeakPolarHBondContact CD-OG 3.43Å; R35-S309 PolarHBondContact NH1-O 3.15Å; R35-S309 PolarHBondContact NH1-OG 3.1Å; I37-S309 PolarHBondContact O-OG 2.91Å; K39-S309 WeakPolarHBondContact CD-O 3.23Å; K39-S309 WeakPolarHBondContact CE-O 3.42Å; K39-S309 PolarHBondContact NZ-O 3.3Å; E288-S309 WeakPolarHBondContact OE1-CB 3.33Å; E288-S309 PolarHBondContact OE1-OG 3.4Å; L289-S309 CarbonylContact O-C 3.57Å; L289-S309 WeakPolarHBondContact O-CA 3.46Å
310Y95.1Very high92.9Very high0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-119.3112.2174.2-60-84.9000108.9S191 A194 F205 F207 E288 L289 V291 T308 E314S191-Y310 WeakPolarHBondContact O-CE1 3.24Å; S191-Y310 VanDerWaalsContact O-CZ 3.31Å; S191-Y310 PolarHBondContact O-OH 3.14Å; S191-Y310 PolarHBondContact OG-OH 3.47Å; A194-Y310 HydrophobicContact CB-CD1 3.66Å; A194-Y310 HydrophobicContact CB-CD2 4.33Å; A194-Y310 HydrophobicContact CB-CE1 3.94Å; A194-Y310 HydrophobicContact CB-CG 3.88Å; F205-Y310 HydrophobicContact CZ-CD2 4.43Å; F207-Y310 HydrophobicContact CB-CE2 4.04Å; F207-Y310 HydrophobicContact CG-CE2 4.2Å; E288-Y310 WeakPolarHBondContact CA-O 3.27Å; L289-Y310 PolarHBondContact N-O 3.19Å; L289-Y310 PolarHBondContact O-N 3.5Å; V291-Y310 HydrophobicContact CG2-CD2 4.09Å; V291-Y310 HydrophobicContact CG2-CE2 3.85Å; T308-Y310 HydrophobicContact CG2-CE2 3.79Å; Y310-E314 HydrophobicContact CD1-CB 4.47Å
311I93.3Very high93.4Very high44 Ų4443.2 Ų43.223%0.22622%0.221CC..EExtended strand (participates in β ladder)trans-76.2159.616860.2171.5000109.5R35 E288 E313 E314R35-I311 HydrophobicContact CG-CG2 4.06Å; E288-I311 HydrophobicContact CG-CG2 4.35Å; I311-E313 HydrophobicContact CD1-CB 4.3Å; I311-E313 HydrophobicContact CG1-CB 4.47Å; I311-E313 PolarHBondContact O-N 3.44Å; I311-E313 VanDerWaalsContact O-N 3.08Å; I311-E314 HydrophobicContact CD1-CG 4.25Å; I311-E314 HydrophobicContact CG1-CB 4.18Å; I311-E314 HydrophobicContact CG1-CG 3.61Å; I311-E314 PolarHBondContact N-OE2 3.02Å; I311-E314 WeakPolarHBondContact O-CA 3.15Å; I311-E314 WeakPolarHBondContact O-CB 3.43Å; I311-E314 PolarHBondContact O-N 2.9Å
312A91.8Very high93.7Very high12 Ų1242.2 Ų42.210%0.09920%0.204CC..G310 helixtrans-40.1-47.2175.600000114.8L282 L287 E314 I315L282-A312 WeakPolarHBondContact O-CB 3.34Å; L287-A312 PolarHBondContact O-N 3.39Å; L287-A312 VanDerWaalsContact O-N 3.14Å; A312-E314 PolarHBondContact O-N 3.26Å; A312-I315 PolarHBondContact O-N 3.49Å
313E90.4Very high93.9Very high136 Ų13644.7 Ų44.764%0.63622%0.224SC*.G310 helixtrans-67.5-18.9-178.8-60.4-177.4172.600114.2I311I311-E313 HydrophobicContact CD1-CB 4.3Å; I311-E313 HydrophobicContact CG1-CB 4.47Å; I311-E313 PolarHBondContact O-N 3.44Å; I311-E313 VanDerWaalsContact O-N 3.08Å
314E93.6Very high93.9Very high30 Ų3039.9 Ų39.914%0.1419%0.194CC..G310 helixtrans-93.8-1.8179.5-64.7174.3153.100112.7R35 K39 Q193 A194 Y310 I311 A312R35-E314 IonicContact CZ-OE1 2.72Å; R35-E314 IonicContact CZ-OE2 3.64Å; R35-E314 IonicContact NH1-OE1 3.34Å; R35-E314 IonicContact NH1-OE2 3.35Å; R35-E314 PolarHBondContact NH1-OE2 2.74Å; R35-E314 VanDerWaalsContact NH1-OE2 3.16Å; R35-E314 VanDerWaalsContact NH2-CD 3.26Å; R35-E314 IonicContact NH2-OE1 3.5Å; R35-E314 PolarHBondContact NH2-OE1 3Å; R35-E314 IonicContact NH2-OE2 2.93Å; R35-E314 PolarHBondContact NH2-OE2 3.15Å; K39-E314 WeakPolarHBondContact CE-OE1 3.35Å; K39-E314 WeakPolarHBondContact CE-OE2 3.35Å; K39-E314 IonicContact NZ-OE1 3.77Å; K39-E314 IonicContact NZ-OE2 3.96Å; K39-E314 PolarHBondContact NZ-OE2 3.43Å; Q193-E314 VanDerWaalsContact CA-O 3.3Å; Q193-E314 WeakPolarHBondContact CA-O 3.33Å; Q193-E314 WeakPolarHBondContact CB-O 3.4Å; A194-E314 PolarHBondContact N-O 2.94Å; Y310-E314 HydrophobicContact CD1-CB 4.47Å; I311-E314 HydrophobicContact CD1-CG 4.25Å; I311-E314 HydrophobicContact CG1-CB 4.18Å; I311-E314 HydrophobicContact CG1-CG 3.61Å; I311-E314 PolarHBondContact N-OE2 3.02Å; I311-E314 WeakPolarHBondContact O-CA 3.15Å; I311-E314 WeakPolarHBondContact O-CB 3.43Å; I311-E314 PolarHBondContact O-N 2.9Å; A312-E314 PolarHBondContact O-N 3.26Å
315I94.8Very high94Very high11 Ų1142.3 Ų42.36%0.05621%0.209CC..EExtended strand (participates in β ladder)trans-99.8111.4177.5-54.9170000108.2A194 I196 F205 L282 L287 L289 A312A194-I315 HydrophobicContact CB-CG1 4.35Å; I196-I315 HydrophobicContact CD1-CG2 3.6Å; I196-I315 HydrophobicContact CG1-CG2 3.77Å; F205-I315 HydrophobicContact CD2-CG2 4.32Å; F205-I315 HydrophobicContact CE2-CD1 4.28Å; F205-I315 HydrophobicContact CE2-CG1 4.23Å; F205-I315 HydrophobicContact CE2-CG2 4.12Å; L282-I315 HydrophobicContact CD1-CD1 4.31Å; L282-I315 HydrophobicContact CD2-CB 4.09Å; L282-I315 HydrophobicContact CD2-CG2 3.82Å; L287-I315 HydrophobicContact CD2-CD1 4.16Å; L289-I315 HydrophobicContact CD1-CD1 3.63Å; L289-I315 HydrophobicContact CG-CD1 4.34Å; A312-I315 PolarHBondContact O-N 3.49Å
316L95Very high94Very high35 Ų3542 Ų4218%0.18321%0.212CC..EExtended strand (participates in β ladder)trans-92.5114.6-177.5-59.5-178.4000111.3Q193 A194 V195 I196 H319Q193-L316 HydrophobicContact CB-CD1 4.19Å; Q193-L316 HydrophobicContact CB-CG 4.32Å; Q193-L316 HydrophobicContact CG-CD1 4.38Å; Q193-L316 VanDerWaalsContact OE1-CD1 3.28Å; A194-L316 PolarHBondContact O-N 3.33Å; V195-L316 CarbonylContact C-O 3.59Å; V195-L316 VanDerWaalsContact CA-O 3.29Å; V195-L316 WeakPolarHBondContact CA-O 3.37Å; V195-L316 HydrophobicContact CG1-CB 4.32Å; I196-L316 PolarHBondContact N-O 2.85Å; L316-H319 HydrophobicContact CB-CB 3.88Å
317W94.8Very high93.9Very high44 Ų4448.4 Ų48.417%0.16724%0.241CC..EExtended strand (participates in β ladder)trans-78.9134.5175.3-162.5-75.3000112.4I196 L203 A279 L282 H319 P348 C350I196-W317 HydrophobicContact CB-CD2 4.32Å; I196-W317 HydrophobicContact CB-CE3 4.12Å; I196-W317 HydrophobicContact CD1-CE3 3.76Å; I196-W317 HydrophobicContact CD1-CZ3 3.86Å; I196-W317 HydrophobicContact CG2-CD2 4.09Å; I196-W317 HydrophobicContact CG2-CE3 3.95Å; I196-W317 HydrophobicContact CG2-CH2 4.28Å; I196-W317 HydrophobicContact CG2-CZ2 4.36Å; I196-W317 HydrophobicContact CG2-CZ3 4.06Å; L203-W317 HydrophobicContact CD1-CZ2 4.11Å; L203-W317 HydrophobicContact CD2-CH2 3.48Å; L203-W317 VanDerWaalsContact CD2-CH2 3.48Å; L203-W317 HydrophobicContact CD2-CZ2 3.64Å; L203-W317 HydrophobicContact CD2-CZ3 4.38Å; L203-W317 HydrophobicContact CG-CZ2 4.5Å; A279-W317 HydrophobicContact CB-CB 4.29Å; A279-W317 HydrophobicContact CB-CD2 3.53Å; A279-W317 HydrophobicContact CB-CE3 4.02Å; A279-W317 HydrophobicContact CB-CG 3.63Å; A279-W317 HydrophobicContact CB-CZ2 4.24Å; L282-W317 HydrophobicContact CD2-CE3 3.95Å; L282-W317 HydrophobicContact CD2-CZ3 4.45Å; W317-H319 PolarHBondContact O-CD2 3.47Å; W317-P348 PolarHBondContact NE1-O 2.83Å; W317-C350 VanDerWaalsContact CZ2-O 3.27Å; W317-C350 WeakPolarHBondContact CZ2-O 3.26Å
318G93.9Very high93.7Very high8 Ų849.8 Ų49.88%0.08225%0.251CS..THydrogen-bonded Turntrans70.235.2-179.100000113I196 K344 V345I196-G318 WeakPolarHBondContact O-CA 3.36Å; I196-G318 PolarHBondContact O-N 2.99Å; G318-K344 WeakPolarHBondContact O-CA 3.35Å; G318-V345 CarbonylContact C-O 3.33Å; G318-V345 PolarHBondContact O-N 3.32Å
319H95Very high93.4Very high28 Ų2859.4 Ų59.413%0.1330%0.296CS..EExtended strand (participates in β ladder)trans-121.3151.4176.3-83.4-119.6000110.7V195 A197 L316 W317 T342 V343 K344V195-H319 HydrophobicContact CB-CB 4.02Å; V195-H319 WeakPolarHBondContact CB-O 3.26Å; V195-H319 HydrophobicContact CG1-CB 3.74Å; V195-H319 WeakPolarHBondContact CG2-O 3.43Å; A197-H319 WeakPolarHBondContact CB-O 3.28Å; L316-H319 HydrophobicContact CB-CB 3.88Å; W317-H319 PolarHBondContact O-CD2 3.47Å; H319-T342 PolarHBondContact ND1-OG1 2.88Å; H319-V343 CarbonylContact C-O 3.6Å; H319-V343 VanDerWaalsContact CA-O 3.31Å; H319-V343 WeakPolarHBondContact CA-O 3.48Å; H319-K344 WeakPolarHBondContact NE2-CE 3.47Å; H319-K344 WeakPolarHBondContact NE2-CG 3.45Å
320R94.6Very high93.1Very high147 Ų14762.6 Ų62.656%0.55533%0.329SS*.EExtended strand (participates in β ladder)trans-130.9144.7173.3-172.7172.967-1751.1109.5T342 V343 V345R320-T342 CarbonylContact O-C 3.56Å; R320-T342 VanDerWaalsContact O-CA 3.26Å; R320-T342 WeakPolarHBondContact O-CA 3.34Å; R320-V343 HydrophobicContact CB-CG2 4.37Å; R320-V343 PolarHBondContact N-O 3.33Å; R320-V343 WeakPolarHBondContact O-CG2 3.37Å; R320-V343 PolarHBondContact O-N 3.28Å; R320-V345 HydrophobicContact CB-CG2 3.66Å
321F96.3Very high92.9Very high9 Ų967.4 Ų67.44%0.03936%0.358CS..EExtended strand (participates in β ladder)trans-67.4142174.3-70.7-72.6000111.8S191 V195 M206 R208 I263 T342S191-F321 WeakPolarHBondContact OG-CZ 3.38Å; V195-F321 HydrophobicContact CG1-CE1 4.46Å; V195-F321 HydrophobicContact CG1-CE2 4.27Å; V195-F321 HydrophobicContact CG1-CZ 4.13Å; V195-F321 HydrophobicContact CG2-CD2 3.82Å; V195-F321 HydrophobicContact CG2-CE2 3.59Å; V195-F321 HydrophobicContact CG2-CZ 4.27Å; M206-F321 HydrophobicContact CB-CE2 4.39Å; R208-F321 HydrophobicContact CB-CE1 4.4Å; R208-F321 HydrophobicContact CB-CE2 4.41Å; R208-F321 HydrophobicContact CB-CZ 4.3Å; I263-F321 HydrophobicContact CD1-CB 3.89Å; I263-F321 HydrophobicContact CD1-CD2 4.12Å; I263-F321 HydrophobicContact CD1-CG 4.39Å; I263-F321 HydrophobicContact CG1-CD2 4.2Å; I263-F321 HydrophobicContact CG2-CD2 4.17Å; F321-T342 HydrophobicContact CD1-CG2 3.74Å; F321-T342 HydrophobicContact CE1-CG2 3.83Å; F321-T342 HydrophobicContact CG-CG2 4.5Å
322V94.9Very high92.8Very high32 Ų3273.5 Ų73.519%0.19438%0.38CS..PPolyproline II helixtrans-70.2137.9172.5176.90000109.1R208 I324 K338 N341 V343R208-V322 PolarHBondContact NH1-O 3.45Å; R208-V322 PolarHBondContact NH2-O 3.22Å; V322-I324 WeakPolarHBondContact O-CG2 3.39Å; V322-K338 HydrophobicContact CG1-CD 4.44Å; V322-N341 HydrophobicContact CB-CB 4.29Å; V322-N341 HydrophobicContact CG2-CB 4.03Å; V322-N341 PolarHBondContact N-O 3.45Å; V322-V343 HydrophobicContact CG2-CG1 3.67Å
323P93.2Very high92.7Very high112 Ų11274.4 Ų74.473%0.72739%0.387SS*.PPolyproline II helixtrans-61.9137.5172.826.6-34.6000110.5
324I93.6Very high92.8Very high8 Ų870 Ų704%0.04137%0.369CS..  trans-122-10.9-174.866.1171.3000114R208 P261 V322 V334 D335 K338 F339R208-I324 VanDerWaalsContact NH1-CG2 3.32Å; P261-I324 HydrophobicContact CB-CD1 3.75Å; P261-I324 HydrophobicContact CG-CD1 3.79Å; V322-I324 WeakPolarHBondContact O-CG2 3.39Å; I324-V334 HydrophobicContact CD1-CG1 3.81Å; I324-V334 HydrophobicContact CG1-CG1 4.15Å; I324-D335 PolarHBondContact O-N 3.34Å; I324-K338 HydrophobicContact CG2-CB 3.77Å; I324-F339 HydrophobicContact CD1-CD2 4.18Å
325V92.2Very high92.7Very high63 Ų6370.8 Ų70.838%0.38238%0.375SS..EExtended strand (participates in β ladder)trans-95.7124179.2-173.10000107.4Y332 A333 V334V325-Y332 HydrophobicContact CG1-CD1 3.89Å; V325-Y332 HydrophobicContact CG1-CG 4.47Å; V325-A333 WeakPolarHBondContact CA-O 3.29Å; V325-V334 HydrophobicContact CG2-CG2 4.27Å
326T91.8Very high92.6Very high65 Ų6573.9 Ų73.940%0.39939%0.386SS..EExtended strand (participates in β ladder)trans-120.7151.6172.549.40000109E328 A333T326-E328 PolarHBondContact OG1-OE1 2.74Å; T326-A333 PolarHBondContact N-O 2.88Å; T326-A333 PolarHBondContact O-N 3.42Å
327E92.6Very high92.5Very high140 Ų14075.8 Ų75.865%0.65440%0.402SS*.EExtended strand (participates in β ladder)trans-98.2118.9172.2-173.7-177.7172.200107.7
328E90.8Very high92.4Very high118 Ų11877.9 Ų77.955%0.55141%0.413SS*.EExtended strand (participates in β ladder)trans-131.4122.3-180-69.9176.6-160.400108.2T326 G330 V331T326-E328 PolarHBondContact OG1-OE1 2.74Å; E328-G330 VanDerWaalsContact C-N 3.26Å; E328-G330 PolarHBondContact O-N 2.86Å; E328-G330 VanDerWaalsContact O-N 3.15Å; E328-V331 PolarHBondContact N-O 3.41Å; E328-V331 PolarHBondContact O-N 3.44Å
329E88.1Confident92.3Very high206 Ų20678.3 Ų78.396%0.96341%0.412SS*.THydrogen-bonded Turntrans5336.7175.8-57.6-176.9172.800114.7V331E329-V331 VanDerWaalsContact C-N 3.28Å; E329-V331 PolarHBondContact O-N 2.96Å
330G89.3Confident92.2Very high67 Ų6778.4 Ų78.469%0.69142%0.421SS*.THydrogen-bonded Turntrans77.61018000000114.5E328E328-G330 VanDerWaalsContact C-N 3.26Å; E328-G330 PolarHBondContact O-N 2.86Å; E328-G330 VanDerWaalsContact O-N 3.15Å
331V90.4Very high92.2Very high100 Ų10075.4 Ų75.461%0.60642%0.416SS*.EExtended strand (participates in β ladder)trans-121.4140.8174.6-176.70000109.9E328 E329 A333E328-V331 PolarHBondContact N-O 3.41Å; E328-V331 PolarHBondContact O-N 3.44Å; E329-V331 VanDerWaalsContact C-N 3.28Å; E329-V331 PolarHBondContact O-N 2.96Å; V331-A333 PolarHBondContact O-N 2.95Å
332Y91.1Very high92.2Very high172 Ų17276.6 Ų76.668%0.67542%0.424SS*.EExtended strand (participates in β ladder)trans-75.6112.2170.4-68.9-74.5000110.2V325V325-Y332 HydrophobicContact CG1-CD1 3.89Å; V325-Y332 HydrophobicContact CG1-CG 4.47Å
333A90.8Very high92.2Very high31 Ų3178.1 Ų78.126%0.25643%0.433SS..EExtended strand (participates in β ladder)trans-94.9138.6173.700000110.4V325 T326 V331V325-A333 WeakPolarHBondContact CA-O 3.29Å; T326-A333 PolarHBondContact N-O 2.88Å; T326-A333 PolarHBondContact O-N 3.42Å; V331-A333 PolarHBondContact O-N 2.95Å
334V92.1Very high92.2Very high44 Ų4481 Ų8127%0.26744%0.435SS..EExtended strand (participates in β ladder)trans-118.1115.7179.5-176.20000109.8P261 I324 V325 Y336P261-V334 HydrophobicContact CG-CG1 3.83Å; I324-V334 HydrophobicContact CD1-CG1 3.81Å; I324-V334 HydrophobicContact CG1-CG1 4.15Å; V325-V334 HydrophobicContact CG2-CG2 4.27Å; V334-Y336 HydrophobicContact CB-CE2 4.22Å; V334-Y336 HydrophobicContact CG1-CD2 4.25Å; V334-Y336 HydrophobicContact CG1-CE1 4.48Å; V334-Y336 HydrophobicContact CG1-CE2 3.94Å; V334-Y336 PolarHBondContact O-N 3.04Å
335D92.7Very high92.1Very high47 Ų4783.2 Ų83.225%0.25145%0.448SS..  trans-88.494.4176.7-178.65.5000111.3I324 S337 K338I324-D335 PolarHBondContact O-N 3.34Å; D335-S337 PolarHBondContact O-N 3.45Å; D335-S337 WeakPolarHBondContact OD1-CB 3.42Å; D335-S337 PolarHBondContact OD1-N 2.84Å; D335-S337 PolarHBondContact OD1-OG 3.48Å; D335-K338 PolarHBondContact O-N 3.28Å; D335-K338 WeakPolarHBondContact OD2-CD 3.05Å; D335-K338 VanDerWaalsContact OD2-CE 3.26Å; D335-K338 WeakPolarHBondContact OD2-CE 3.24Å; D335-K338 IonicContact OD2-NZ 3.16Å; D335-K338 PolarHBondContact OD2-NZ 3.48Å
336Y91.8Very high91.8Very high75 Ų7582.1 Ų82.129%0.29445%0.446SS..G310 helixtrans-65-17177.6-76.7-79000114I189 D211 L212 P261 V334 K338 F339I189-Y336 HydrophobicContact CD1-CD1 3.98Å; I189-Y336 HydrophobicContact CD1-CE1 4.07Å; D211-Y336 PolarHBondContact O-OH 3.37Å; L212-Y336 HydrophobicContact CD2-CD1 4.01Å; L212-Y336 HydrophobicContact CD2-CE1 4.02Å; L212-Y336 HydrophobicContact CD2-CG 4.34Å; P261-Y336 HydrophobicContact CG-CE1 3.68Å; V334-Y336 HydrophobicContact CB-CE2 4.22Å; V334-Y336 HydrophobicContact CG1-CD2 4.25Å; V334-Y336 HydrophobicContact CG1-CE1 4.48Å; V334-Y336 HydrophobicContact CG1-CE2 3.94Å; V334-Y336 PolarHBondContact O-N 3.04Å; Y336-K338 PolarHBondContact O-N 3.06Å; Y336-F339 HydrophobicContact CD1-CB 4.46Å; Y336-F339 AromaticContact CD1-CD2 3.91Å; Y336-F339 HydrophobicContact CD1-CD2 3.91Å; Y336-F339 HydrophobicContact CD1-CG 4.45Å; Y336-F339 HydrophobicContact CE1-CD2 4.13Å; Y336-F339 HydrophobicContact CE1-CE2 4.42Å; Y336-F339 WeakPolarHBondContact O-CB 3.4Å; Y336-F339 PolarHBondContact O-N 2.82Å
337S92Very high91.6Very high75 Ų7579.8 Ų79.852%0.52443%0.433SS..G310 helixtrans-63.7-28.2175.5-36.60000111.5D335D335-S337 PolarHBondContact O-N 3.45Å; D335-S337 WeakPolarHBondContact OD1-CB 3.42Å; D335-S337 PolarHBondContact OD1-N 2.84Å; D335-S337 PolarHBondContact OD1-OG 3.48Å
338K92.6Very high91.4Very high89 Ų8973.3 Ų73.339%0.38740%0.403SS..G310 helixtrans-955177.4-64.1174.3-173.1122.60113.2V322 I324 D335 Y336 G340 N341V322-K338 HydrophobicContact CG1-CD 4.44Å; I324-K338 HydrophobicContact CG2-CB 3.77Å; D335-K338 PolarHBondContact O-N 3.28Å; D335-K338 WeakPolarHBondContact OD2-CD 3.05Å; D335-K338 VanDerWaalsContact OD2-CE 3.26Å; D335-K338 WeakPolarHBondContact OD2-CE 3.24Å; D335-K338 IonicContact OD2-NZ 3.16Å; D335-K338 PolarHBondContact OD2-NZ 3.48Å; Y336-K338 PolarHBondContact O-N 3.06Å; K338-G340 VanDerWaalsContact C-N 3.32Å; K338-G340 PolarHBondContact O-N 2.95Å; K338-N341 PolarHBondContact O-N 3.49Å
339F93.5Very high91.3Very high16 Ų1677.7 Ų77.77%0.0742%0.415CS..THydrogen-bonded Turntrans-56.5-42.5-172.7-177.5-90.8000113.1I189 R208 P261 I324 Y336I189-F339 HydrophobicContact CD1-CD1 4.16Å; I189-F339 HydrophobicContact CD1-CD2 4.06Å; I189-F339 HydrophobicContact CD1-CE1 3.94Å; I189-F339 HydrophobicContact CD1-CE2 3.81Å; I189-F339 HydrophobicContact CD1-CG 4.22Å; I189-F339 HydrophobicContact CD1-CZ 3.77Å; I189-F339 HydrophobicContact CG1-CE1 4.21Å; I189-F339 HydrophobicContact CG1-CE2 4.13Å; I189-F339 HydrophobicContact CG1-CZ 3.8Å; R208-F339 HydrophobicContact CB-CZ 4.33Å; R208-F339 WeakPolarHBondContact CD-O 3.48Å; R208-F339 HydrophobicContact CG-CD2 4.23Å; R208-F339 HydrophobicContact CG-CE1 4.42Å; R208-F339 HydrophobicContact CG-CE2 3.67Å; R208-F339 HydrophobicContact CG-CZ 3.76Å; R208-F339 PolarHBondContact NH1-O 3.38Å; P261-F339 HydrophobicContact CB-CD2 4.22Å; P261-F339 HydrophobicContact CB-CE2 3.82Å; P261-F339 HydrophobicContact CG-CD2 4.3Å; P261-F339 HydrophobicContact CG-CE2 4.14Å; I324-F339 HydrophobicContact CD1-CD2 4.18Å; Y336-F339 HydrophobicContact CD1-CB 4.46Å; Y336-F339 AromaticContact CD1-CD2 3.91Å; Y336-F339 HydrophobicContact CD1-CD2 3.91Å; Y336-F339 HydrophobicContact CD1-CG 4.45Å; Y336-F339 HydrophobicContact CE1-CD2 4.13Å; Y336-F339 HydrophobicContact CE1-CE2 4.42Å; Y336-F339 WeakPolarHBondContact O-CB 3.4Å; Y336-F339 PolarHBondContact O-N 2.82Å
340G92.1Very high91.3Very high31 Ų3168.6 Ų68.632%0.3237%0.373SS..THydrogen-bonded Turntrans-91.6-2177.900000115.1K338K338-G340 VanDerWaalsContact C-N 3.32Å; K338-G340 PolarHBondContact O-N 2.95Å
341N95.1Very high91.5Very high83 Ų8365.7 Ų65.744%0.44434%0.343SS..  trans-76.2133.2-171-70.1-6.3000111V322 K338V322-N341 HydrophobicContact CB-CB 4.29Å; V322-N341 HydrophobicContact CG2-CB 4.03Å; V322-N341 PolarHBondContact N-O 3.45Å; K338-N341 PolarHBondContact O-N 3.49Å
342T95.8Very high91.5Very high34 Ų3461 Ų6121%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-125.9150.517966.50000110.9V195 H319 R320 F321V195-T342 HydrophobicContact CG1-CG2 3.6Å; H319-T342 PolarHBondContact ND1-OG1 2.88Å; R320-T342 CarbonylContact O-C 3.56Å; R320-T342 VanDerWaalsContact O-CA 3.26Å; R320-T342 WeakPolarHBondContact O-CA 3.34Å; F321-T342 HydrophobicContact CD1-CG2 3.74Å; F321-T342 HydrophobicContact CE1-CG2 3.83Å; F321-T342 HydrophobicContact CG-CG2 4.5Å
343V94.7Very high91.5Very high64 Ų6458.4 Ų58.439%0.38830%0.304SS..EExtended strand (participates in β ladder)trans-117.7141.8175.5-71.40000109.7H319 R320 V322 V345H319-V343 CarbonylContact C-O 3.6Å; H319-V343 VanDerWaalsContact CA-O 3.31Å; H319-V343 WeakPolarHBondContact CA-O 3.48Å; R320-V343 HydrophobicContact CB-CG2 4.37Å; R320-V343 PolarHBondContact N-O 3.33Å; R320-V343 WeakPolarHBondContact O-CG2 3.37Å; R320-V343 PolarHBondContact O-N 3.28Å; V322-V343 HydrophobicContact CG2-CG1 3.67Å; V343-V345 HydrophobicContact CG2-CG2 4.39Å
344K93.4Very high91.5Very high174 Ų17461.4 Ų61.476%0.75731%0.312SS*.EExtended strand (participates in β ladder)trans-68.9130.9173.5-75.7179.3179.8-176.80109.6G318 H319G318-K344 WeakPolarHBondContact O-CA 3.35Å; H319-K344 WeakPolarHBondContact NE2-CE 3.47Å; H319-K344 WeakPolarHBondContact NE2-CG 3.45Å
345V91.1Very high91.4Very high53 Ų5359.8 Ų59.832%0.32130%0.302SS..  trans-126.3147.9175.9-176.70000107.6G318 R320 V343 A347G318-V345 CarbonylContact C-O 3.33Å; G318-V345 PolarHBondContact O-N 3.32Å; R320-V345 HydrophobicContact CB-CG2 3.66Å; V343-V345 HydrophobicContact CG2-CG2 4.39Å; V345-A347 PolarHBondContact O-N 3.26Å; V345-A347 VanDerWaalsContact O-N 3.12Å
346A86.9Confident91.1Very high41 Ų4161.5 Ų61.534%0.33931%0.312SS..  trans-63.5117.6172.400000109.3T365A346-T365 HydrophobicContact CB-CG2 4.38Å
347A87.1Confident91Very high16 Ų1663.4 Ų63.413%0.13232%0.323CS..  trans-132.9145173.300000108.5V345V345-A347 PolarHBondContact O-N 3.26Å; V345-A347 VanDerWaalsContact O-N 3.12Å
348P88.7Confident90.8Very high4 Ų465.8 Ų65.83%0.02632%0.324CS..  trans-63.2142.1174.830.4-34.7000108.6V198 W317 C350 L355 I361 L362V198-P348 VanDerWaalsContact CG2-CD 3.44Å; V198-P348 HydrophobicContact CG2-CG 3.92Å; W317-P348 PolarHBondContact NE1-O 2.83Å; P348-C350 VanDerWaalsContact C-N 3.35Å; P348-L355 HydrophobicContact CB-CD1 4.15Å; P348-L355 HydrophobicContact CG-CD1 3.78Å; P348-L355 HydrophobicContact CG-CD2 4.33Å; P348-I361 HydrophobicContact CB-CG2 4.13Å; P348-L362 HydrophobicContact CG-CD1 4.5Å
349R88.1Confident90.4Very high210 Ų21065.6 Ų65.679%0.79233%0.332SS*.  trans-90.8-2.2180-69.1-175173.8177.1-2.7113.4A279A279-R349 HydrophobicContact CB-CB 4.04Å; A279-R349 HydrophobicContact CB-CG 4.33Å; A279-R349 WeakPolarHBondContact CB-O 3.49Å; A279-R349 PolarHBondContact N-O 2.98Å; A279-R349 VanDerWaalsContact N-O 3.15Å
350C89.1Confident89.7Confident14 Ų1467.8 Ų67.810%0.09535%0.349CS..SBendtrans-73.5165.5176.364.10000111.4W317 P348 E354W317-C350 VanDerWaalsContact CZ2-O 3.27Å; W317-C350 WeakPolarHBondContact CZ2-O 3.26Å; P348-C350 VanDerWaalsContact C-N 3.35Å; C350-E354 HydrophobicContact CB-CB 3.85Å; C350-E354 WeakPolarHBondContact CB-OE2 3.36Å
351S92.2Very high89.1Confident6 Ų668.5 Ų68.54%0.04235%0.345CS..  trans-68165.9170.764.50000111.6I277 R353 E354 L355I277-S351 WeakPolarHBondContact O-CA 3.39Å; S351-R353 VanDerWaalsContact C-N 3.26Å; S351-R353 PolarHBondContact O-N 3.36Å; S351-E354 PolarHBondContact O-N 3.16Å; S351-E354 WeakPolarHBondContact OG-CG 3.32Å; S351-E354 PolarHBondContact OG-N 3.39Å; S351-L355 WeakPolarHBondContact O-CB 3.46Å; S351-L355 PolarHBondContact O-N 3.23Å; S351-L355 VanDerWaalsContact O-N 3.08Å
352A90.6Very high88.4Confident3 Ų365.6 Ų65.63%0.02533%0.329CS..Hα-helixtrans-65.1-34.4174.600000111.4L203 I268 Y275 L355 D356L203-A352 HydrophobicContact CB-CB 4.36Å; L203-A352 HydrophobicContact CD2-CB 4.16Å; I268-A352 HydrophobicContact CB-CB 4.15Å; I268-A352 HydrophobicContact CG2-CB 3.55Å; Y275-A352 HydrophobicContact CD2-CB 3.76Å; Y275-A352 HydrophobicContact CE2-CB 4.11Å; Y275-A352 PolarHBondContact O-N 3.24Å; A352-L355 WeakPolarHBondContact O-CB 3.49Å; A352-L355 PolarHBondContact O-N 3.44Å; A352-D356 PolarHBondContact O-N 3.47Å
353R91.5Very high87.6Confident117 Ų11768.6 Ų68.644%0.44234%0.343SS..Hα-helixtrans-58.6-51.1171.9-179173.9171174.80.4113.4Y275 D276 S351 L355 D356 E357Y275-R353 HydrophobicContact CD1-CB 3.79Å; Y275-R353 HydrophobicContact CD1-CG 4.34Å; Y275-R353 HydrophobicContact CE1-CB 3.45Å; Y275-R353 VanDerWaalsContact CE1-CB 3.45Å; Y275-R353 HydrophobicContact CE1-CG 3.69Å; Y275-R353 HydrophobicContact CE2-CB 4.38Å; Y275-R353 HydrophobicContact CG-CB 4.4Å; Y275-R353 VanDerWaalsContact CZ-CA 3.43Å; Y275-R353 PolarHBondContact O-N 3.48Å; D276-R353 WeakPolarHBondContact OD1-CD 3.31Å; D276-R353 IonicContact OD1-NH1 3.33Å; D276-R353 PolarHBondContact OD1-NH1 3.44Å; S351-R353 VanDerWaalsContact C-N 3.26Å; S351-R353 PolarHBondContact O-N 3.36Å; R353-L355 PolarHBondContact O-N 2.89Å; R353-D356 PolarHBondContact O-N 2.86Å; R353-E357 HydrophobicContact CG-CG 4.5Å; R353-E357 WeakPolarHBondContact CG-OE1 3.38Å; R353-E357 IonicContact CZ-OE1 3.85Å; R353-E357 IonicContact NE-OE1 3.1Å; R353-E357 PolarHBondContact NE-OE1 2.86Å; R353-E357 IonicContact NH2-OE1 3.81Å; R353-E357 WeakPolarHBondContact O-CG 3.26Å; R353-E357 PolarHBondContact O-N 3.41Å
354E90.3Very high86.9Confident93 Ų9371.5 Ų71.544%0.43535%0.353SS..Hα-helixtrans-62.7-32.9178-74.8175.6-173.900111.7C350 S351 K358C350-E354 HydrophobicContact CB-CB 3.85Å; C350-E354 WeakPolarHBondContact CB-OE2 3.36Å; S351-E354 PolarHBondContact O-N 3.16Å; S351-E354 WeakPolarHBondContact OG-CG 3.32Å; S351-E354 PolarHBondContact OG-N 3.39Å; E354-K358 PolarHBondContact O-N 3.41Å
355L89.2Confident86.2Confident10 Ų1064.8 Ų64.85%0.05233%0.326CS..Hα-helixtrans-66.4-41175.7-16668.1000112L203 P348 S351 A352 R353 K358 P359 L362L203-L355 HydrophobicContact CB-CD2 4.27Å; P348-L355 HydrophobicContact CB-CD1 4.15Å; P348-L355 HydrophobicContact CG-CD1 3.78Å; P348-L355 HydrophobicContact CG-CD2 4.33Å; S351-L355 WeakPolarHBondContact O-CB 3.46Å; S351-L355 PolarHBondContact O-N 3.23Å; S351-L355 VanDerWaalsContact O-N 3.08Å; A352-L355 WeakPolarHBondContact O-CB 3.49Å; A352-L355 PolarHBondContact O-N 3.44Å; R353-L355 PolarHBondContact O-N 2.89Å; L355-K358 CarbonylContact O-C 3.59Å; L355-P359 WeakPolarHBondContact O-CA 3.35Å; L355-L362 HydrophobicContact CD1-CB 3.84Å; L355-L362 HydrophobicContact CD1-CD1 4.47Å
356D88.4Confident85.6Confident84 Ų8465.9 Ų65.945%0.44933%0.33SS..Hα-helixtrans-69.7-39175.8-79.1-5.3000112.1Y275 A352 R353Y275-D356 VanDerWaalsContact CE2-OD2 3.22Å; Y275-D356 WeakPolarHBondContact CE2-OD2 3.33Å; Y275-D356 WeakPolarHBondContact OH-CB 3.34Å; Y275-D356 PolarHBondContact OH-OD2 3.45Å; A352-D356 PolarHBondContact O-N 3.47Å; R353-D356 PolarHBondContact O-N 2.86Å
357E88.9Confident85.1Confident114 Ų11469.6 Ų69.653%0.53334%0.34SS..Hα-helixtrans-70-35.6177.1-72176.3-172.800112R353R353-E357 HydrophobicContact CG-CG 4.5Å; R353-E357 WeakPolarHBondContact CG-OE1 3.38Å; R353-E357 IonicContact CZ-OE1 3.85Å; R353-E357 IonicContact NE-OE1 3.1Å; R353-E357 PolarHBondContact NE-OE1 2.86Å; R353-E357 IonicContact NH2-OE1 3.81Å; R353-E357 WeakPolarHBondContact O-CG 3.26Å; R353-E357 PolarHBondContact O-N 3.41Å
358K88.4Confident84.6Confident126 Ų12676.5 Ų76.555%0.54837%0.367SS..  trans-131.577.6-176.6-66.6177.2-175.41680111.4E354 L355 S360 I361E354-K358 PolarHBondContact O-N 3.41Å; L355-K358 CarbonylContact O-C 3.59Å; K358-S360 PolarHBondContact O-N 3.07Å; K358-I361 HydrophobicContact CB-CD1 3.68Å; K358-I361 HydrophobicContact CB-CG1 3.96Å; K358-I361 HydrophobicContact CD-CD1 4.23Å; K358-I361 WeakPolarHBondContact O-CB 3.22Å; K358-I361 WeakPolarHBondContact O-CG1 3.27Å; K358-I361 PolarHBondContact O-N 3.35Å
359P82.9Confident84Confident84 Ų8477.8 Ų77.855%0.54538%0.376SS..THydrogen-bonded Turntrans-63.7-17.1179.724.7-34.3000113.6L355 I361 L362 I363L355-P359 WeakPolarHBondContact O-CA 3.35Å; P359-I361 PolarHBondContact O-N 3.18Å; P359-L362 WeakPolarHBondContact O-CB 3.41Å; P359-L362 PolarHBondContact O-N 3.14Å; P359-L362 VanDerWaalsContact O-N 3.14Å; P359-I363 PolarHBondContact O-N 3.06Å
360S78.9Confident83.4Confident63 Ų6373.8 Ų73.844%0.44137%0.366SS..Hα-helixtrans-59.9-29.6172.955.20000113.2K358 L362 I363 Q364K358-S360 PolarHBondContact O-N 3.07Å; S360-L362 VanDerWaalsContact C-N 3.26Å; S360-L362 PolarHBondContact O-N 2.91Å; S360-I363 PolarHBondContact O-N 3.28Å; S360-Q364 WeakPolarHBondContact O-CG 3.3Å; S360-Q364 PolarHBondContact O-N 3.41Å
361I80.2Confident82.6Confident45 Ų4578.1 Ų78.123%0.23139%0.388CS..Hα-helixtrans-61.3-39.5176.2-62.3173.8000110.4P348 K358 P359 T365P348-I361 HydrophobicContact CB-CG2 4.13Å; K358-I361 HydrophobicContact CB-CD1 3.68Å; K358-I361 HydrophobicContact CB-CG1 3.96Å; K358-I361 HydrophobicContact CD-CD1 4.23Å; K358-I361 WeakPolarHBondContact O-CB 3.22Å; K358-I361 WeakPolarHBondContact O-CG1 3.27Å; K358-I361 PolarHBondContact O-N 3.35Å; P359-I361 PolarHBondContact O-N 3.18Å; I361-T365 WeakPolarHBondContact O-CB 3.42Å; I361-T365 PolarHBondContact O-N 3.37Å; I361-T365 PolarHBondContact O-OG1 2.99Å
362L79.9Confident81.6Confident22 Ų2281.1 Ų81.112%0.11541%0.409CS..Hα-helixtrans-63.8-50177.7-177.961.5000110.7V198 P348 L355 P359 S360 Q364 T365 L366V198-L362 HydrophobicContact CB-CD1 4.33Å; V198-L362 HydrophobicContact CG1-CD1 3.85Å; V198-L362 HydrophobicContact CG2-CD1 3.9Å; P348-L362 HydrophobicContact CG-CD1 4.5Å; L355-L362 HydrophobicContact CD1-CB 3.84Å; L355-L362 HydrophobicContact CD1-CD1 4.47Å; P359-L362 WeakPolarHBondContact O-CB 3.41Å; P359-L362 PolarHBondContact O-N 3.14Å; P359-L362 VanDerWaalsContact O-N 3.14Å; S360-L362 VanDerWaalsContact C-N 3.26Å; S360-L362 PolarHBondContact O-N 2.91Å; L362-Q364 VanDerWaalsContact C-N 3.35Å; L362-Q364 PolarHBondContact O-N 2.97Å; L362-T365 PolarHBondContact O-N 3.37Å; L362-T365 VanDerWaalsContact O-N 3.15Å; L362-L366 HydrophobicContact CD1-CD1 4.01Å; L362-L366 HydrophobicContact CD1-CG 4.13Å; L362-L366 HydrophobicContact CD2-CD1 4.47Å; L362-L366 HydrophobicContact CG-CD1 3.9Å; L362-L366 HydrophobicContact CG-CG 4.38Å; L362-L366 WeakPolarHBondContact O-CG 3.24Å; L362-L366 PolarHBondContact O-N 2.99Å
363I78.5Confident80.9Confident97 Ų9786.4 Ų86.450%0.49743%0.433SS..Hα-helixtrans-60-46.7-178.3-61.7173.2000110.2P359 S360 T365 L366 Q367P359-I363 PolarHBondContact O-N 3.06Å; S360-I363 PolarHBondContact O-N 3.28Å; I363-T365 VanDerWaalsContact C-N 3.32Å; I363-T365 PolarHBondContact O-N 2.87Å; I363-L366 PolarHBondContact O-N 3.44Å; I363-Q367 HydrophobicContact CG2-CG 4.28Å; I363-Q367 WeakPolarHBondContact O-CB 3.41Å; I363-Q367 VanDerWaalsContact O-CG 3.3Å; I363-Q367 WeakPolarHBondContact O-CG 3.21Å; I363-Q367 PolarHBondContact O-N 3.1Å
364Q79.8Confident80Confident126 Ų12686.9 Ų86.959%0.58944%0.44SS*.Hα-helixtrans-60.9-40.9176.8-73.1177.9-1.200112.2S360 L362 K368S360-Q364 WeakPolarHBondContact O-CG 3.3Å; S360-Q364 PolarHBondContact O-N 3.41Å; L362-Q364 VanDerWaalsContact C-N 3.35Å; L362-Q364 PolarHBondContact O-N 2.97Å; Q364-K368 VanDerWaalsContact O-CB 3.22Å; Q364-K368 WeakPolarHBondContact O-CB 3.32Å; Q364-K368 PolarHBondContact O-N 3.29Å
365T79.3Confident79.2Confident33 Ų3386.8 Ų86.820%0.20244%0.443CS..Hα-helixtrans-66.8-43.7179.3-57.80000111.4A346 I361 L362 I363 S369A346-T365 HydrophobicContact CB-CG2 4.38Å; I361-T365 WeakPolarHBondContact O-CB 3.42Å; I361-T365 PolarHBondContact O-N 3.37Å; I361-T365 PolarHBondContact O-OG1 2.99Å; L362-T365 PolarHBondContact O-N 3.37Å; L362-T365 VanDerWaalsContact O-N 3.15Å; I363-T365 VanDerWaalsContact C-N 3.32Å; I363-T365 PolarHBondContact O-N 2.87Å; T365-S369 WeakPolarHBondContact O-CB 3.4Å; T365-S369 PolarHBondContact O-N 3.22Å
366L78.4Confident78.5Confident76 Ų7689.3 Ų89.340%0.39846%0.461SS..Hα-helixtrans-66.6-46.1177.6-68.7175.6000111.4L362 I363 K368 S369 E370L362-L366 HydrophobicContact CD1-CD1 4.01Å; L362-L366 HydrophobicContact CD1-CG 4.13Å; L362-L366 HydrophobicContact CD2-CD1 4.47Å; L362-L366 HydrophobicContact CG-CD1 3.9Å; L362-L366 HydrophobicContact CG-CG 4.38Å; L362-L366 WeakPolarHBondContact O-CG 3.24Å; L362-L366 PolarHBondContact O-N 2.99Å; I363-L366 PolarHBondContact O-N 3.44Å; L366-K368 PolarHBondContact O-N 2.89Å; L366-S369 WeakPolarHBondContact O-CA 3.39Å; L366-S369 VanDerWaalsContact O-CB 3.31Å; L366-S369 WeakPolarHBondContact O-CB 3.48Å; L366-S369 PolarHBondContact O-N 2.95Å; L366-S369 PolarHBondContact O-OG 2.84Å; L366-E370 PolarHBondContact O-N 3.42Å
367Q77.6Confident77.8Confident118 Ų11889 Ų8955%0.55146%0.459SS*.Hα-helixtrans-60.3-44175.8-75.9177.4-19.900112.2I363 S369 E370 L371I363-Q367 HydrophobicContact CG2-CG 4.28Å; I363-Q367 WeakPolarHBondContact O-CB 3.41Å; I363-Q367 VanDerWaalsContact O-CG 3.3Å; I363-Q367 WeakPolarHBondContact O-CG 3.21Å; I363-Q367 PolarHBondContact O-N 3.1Å; Q367-S369 PolarHBondContact O-N 3.33Å; Q367-E370 PolarHBondContact O-N 3.49Å; Q367-L371 WeakPolarHBondContact O-CB 3.38Å; Q367-L371 PolarHBondContact O-N 2.99Å
368K75.9Confident77Confident162 Ų16292.7 Ų92.770%0.70447%0.468SS*.Hα-helixtrans-61.3-35.4175-171174.1-176.1174.60111.4Q364 L366 S372Q364-K368 VanDerWaalsContact O-CB 3.22Å; Q364-K368 WeakPolarHBondContact O-CB 3.32Å; Q364-K368 PolarHBondContact O-N 3.29Å; L366-K368 PolarHBondContact O-N 2.89Å; K368-S372 VanDerWaalsContact O-CB 3.31Å; K368-S372 WeakPolarHBondContact O-CB 3.43Å; K368-S372 PolarHBondContact O-N 3.49Å; K368-S372 PolarHBondContact O-OG 3.5Å
369S75.7Confident76.4Confident31 Ų3193.6 Ų93.622%0.21747%0.472CS..Hα-helixtrans-67.4-45.7176.687.10000112.3T365 L366 Q367 L371 S372 H373T365-S369 WeakPolarHBondContact O-CB 3.4Å; T365-S369 PolarHBondContact O-N 3.22Å; L366-S369 WeakPolarHBondContact O-CA 3.39Å; L366-S369 VanDerWaalsContact O-CB 3.31Å; L366-S369 WeakPolarHBondContact O-CB 3.48Å; L366-S369 PolarHBondContact O-N 2.95Å; L366-S369 PolarHBondContact O-OG 2.84Å; Q367-S369 PolarHBondContact O-N 3.33Å; S369-L371 PolarHBondContact O-N 2.92Å; S369-S372 PolarHBondContact O-N 3.34Å; S369-S372 PolarHBondContact O-OG 3.35Å; S369-H373 WeakPolarHBondContact O-CB 3.48Å; S369-H373 PolarHBondContact O-N 3.45Å
370E75.3Confident75.9Confident125 Ų12598.7 Ų98.758%0.58448%0.48SS*.Hα-helixtrans-63.2-44.6178-70.6-177.4160.100111.1L366 Q367 S372 H373 Q374L366-E370 PolarHBondContact O-N 3.42Å; Q367-E370 PolarHBondContact O-N 3.49Å; E370-S372 VanDerWaalsContact C-N 3.32Å; E370-S372 PolarHBondContact O-N 3.39Å; E370-H373 PolarHBondContact O-N 3.11Å; E370-Q374 WeakPolarHBondContact O-CG 3.48Å; E370-Q374 PolarHBondContact O-N 2.99Å
371L72.5Confident75.7Confident105 Ų105100.7 Ų100.755%0.5549%0.486SS..Hα-helixtrans-61.2-41.8176-157.3103.4000111.4Q367 S369 N375Q367-L371 WeakPolarHBondContact O-CB 3.38Å; Q367-L371 PolarHBondContact O-N 2.99Å; S369-L371 PolarHBondContact O-N 2.92Å; L371-N375 WeakPolarHBondContact O-CB 3.38Å; L371-N375 VanDerWaalsContact O-CG 3.23Å; L371-N375 PolarHBondContact O-N 3.03Å; L371-N375 PolarHBondContact O-ND2 2.68Å
372S71.9Confident75.5Confident69 Ų69101.4 Ų101.448%0.48350%0.495SS..Hα-helixtrans-65.5-39176.477.40000112.3K368 S369 E370 N375 S376K368-S372 VanDerWaalsContact O-CB 3.31Å; K368-S372 WeakPolarHBondContact O-CB 3.43Å; K368-S372 PolarHBondContact O-N 3.49Å; K368-S372 PolarHBondContact O-OG 3.5Å; S369-S372 PolarHBondContact O-N 3.34Å; S369-S372 PolarHBondContact O-OG 3.35Å; E370-S372 VanDerWaalsContact C-N 3.32Å; E370-S372 PolarHBondContact O-N 3.39Å; S372-N375 PolarHBondContact O-N 2.96Å; S372-S376 WeakPolarHBondContact O-CB 3.29Å; S372-S376 PolarHBondContact O-N 2.9Å
373H75.4Confident75.1Confident114 Ų114105.2 Ų105.253%0.52851%0.514SS..Hα-helixtrans-67-47.1178-171.7-99.1000110.8S369 E370 N375 S376 L377S369-H373 WeakPolarHBondContact O-CB 3.48Å; S369-H373 PolarHBondContact O-N 3.45Å; E370-H373 PolarHBondContact O-N 3.11Å; H373-N375 PolarHBondContact O-N 3.36Å; H373-S376 PolarHBondContact O-N 2.97Å; H373-S376 PolarHBondContact O-OG 3.1Å; H373-L377 WeakPolarHBondContact O-CG 3.18Å; H373-L377 PolarHBondContact O-N 2.99Å
374Q72.7Confident74.8Confident128 Ų128110 Ų11060%0.59853%0.526SS*.Hα-helixtrans-59.7-43.1174.7-73.7-175.7-3.600112.3E370 S376 L377 R378E370-Q374 WeakPolarHBondContact O-CG 3.48Å; E370-Q374 PolarHBondContact O-N 2.99Å; Q374-S376 VanDerWaalsContact C-N 3.32Å; Q374-S376 PolarHBondContact O-N 3.12Å; Q374-L377 PolarHBondContact O-N 3.32Å; Q374-R378 WeakPolarHBondContact O-CB 3.45Å; Q374-R378 PolarHBondContact O-N 2.96Å
375N73.4Confident74.4Confident90 Ų90112.7 Ų112.748%0.48153%0.53SS..Hα-helixtrans-62.6-39.2175.8-76.4-24.5000112.1L371 S372 H373 R378 K379L371-N375 WeakPolarHBondContact O-CB 3.38Å; L371-N375 VanDerWaalsContact O-CG 3.23Å; L371-N375 PolarHBondContact O-N 3.03Å; L371-N375 PolarHBondContact O-ND2 2.68Å; S372-N375 PolarHBondContact O-N 2.96Å; H373-N375 PolarHBondContact O-N 3.36Å; N375-R378 PolarHBondContact O-N 3.41Å; N375-K379 WeakPolarHBondContact O-CB 3.37Å; N375-K379 PolarHBondContact O-N 2.99Å
376S74.5Confident74Confident63 Ų63115.5 Ų115.544%0.44154%0.544SS..Hα-helixtrans-65.3-41.8176.281.30000112.2S372 H373 Q374 K379 R380S372-S376 WeakPolarHBondContact O-CB 3.29Å; S372-S376 PolarHBondContact O-N 2.9Å; H373-S376 PolarHBondContact O-N 2.97Å; H373-S376 PolarHBondContact O-OG 3.1Å; Q374-S376 VanDerWaalsContact C-N 3.32Å; Q374-S376 PolarHBondContact O-N 3.12Å; S376-K379 PolarHBondContact O-N 3.4Å; S376-R380 WeakPolarHBondContact O-CB 3.1Å; S376-R380 PolarHBondContact O-N 3.15Å
377L74Confident73.6Confident77 Ų77116.7 Ų116.740%0.40355%0.551SS.*Hα-helixtrans-65.1-44.5175.7-71.7172.9000111.3H373 Q374 K379 R380 N381H373-L377 WeakPolarHBondContact O-CG 3.18Å; H373-L377 PolarHBondContact O-N 2.99Å; Q374-L377 PolarHBondContact O-N 3.32Å; L377-K379 VanDerWaalsContact C-N 3.34Å; L377-K379 PolarHBondContact O-N 3.14Å; L377-R380 PolarHBondContact O-N 3.18Å; L377-N381 WeakPolarHBondContact O-CB 3.27Å; L377-N381 PolarHBondContact O-N 2.91Å
378R72.8Confident73.2Confident193 Ų193114.1 Ų114.173%0.72855%0.546SS*.Hα-helixtrans-61.7-41.8177.1-167.1175.3-178.9179.90.8111.5Q374 N375 N381 S382Q374-R378 WeakPolarHBondContact O-CB 3.45Å; Q374-R378 PolarHBondContact O-N 2.96Å; N375-R378 PolarHBondContact O-N 3.41Å; R378-N381 PolarHBondContact O-N 3.02Å; R378-S382 WeakPolarHBondContact O-CB 3.36Å; R378-S382 PolarHBondContact O-N 2.94Å
379K73.9Confident72.9Confident145 Ų145110 Ų11063%0.6353%0.531SS*.Hα-helixtrans-65.2-40.4175-168.1177.3-178.4175.60111.9N375 S376 L377 S382 M383N375-K379 WeakPolarHBondContact O-CB 3.37Å; N375-K379 PolarHBondContact O-N 2.99Å; S376-K379 PolarHBondContact O-N 3.4Å; L377-K379 VanDerWaalsContact C-N 3.34Å; L377-K379 PolarHBondContact O-N 3.14Å; K379-S382 PolarHBondContact O-N 3.34Å; K379-M383 HydrophobicContact CD-CE 4.47Å; K379-M383 HydrophobicContact CG-CE 3.95Å; K379-M383 PolarHBondContact O-N 3.4Å
380R73.8Confident72.4Confident190 Ų190117.9 Ų117.972%0.71756%0.556SS**Hα-helixtrans-66.2-41.7176.9-152.9173.4-166.2166.12.1111.7S376 L377 M383 R384S376-R380 WeakPolarHBondContact O-CB 3.1Å; S376-R380 PolarHBondContact O-N 3.15Å; L377-R380 PolarHBondContact O-N 3.18Å; R380-M383 PolarHBondContact O-N 3.06Å; R380-R384 WeakPolarHBondContact O-CB 3.43Å; R380-R384 PolarHBondContact O-N 2.03Å
381N74.4Confident71.7Confident105 Ų105121.5 Ų121.556%0.56156%0.564SS**Hα-helixtrans-67.6-40.2175.6-72.5-11.7000112L377 R378 R384 R385L377-N381 WeakPolarHBondContact O-CB 3.27Å; L377-N381 PolarHBondContact O-N 2.91Å; R378-N381 PolarHBondContact O-N 3.02Å; N381-R384 PolarHBondContact O-N 3.48Å; N381-R385 WeakPolarHBondContact O-CB 3.33Å; N381-R385 PolarHBondContact O-N 3.31Å
382S75.2Confident71.1Confident61 Ų61119.3 Ų119.343%0.42756%0.558SS.*Hα-helixtrans-62-44.9172.91730000111.9R378 K379 R384 R385 N386R378-S382 WeakPolarHBondContact O-CB 3.36Å; R378-S382 PolarHBondContact O-N 2.94Å; K379-S382 PolarHBondContact O-N 3.34Å; S382-R384 PolarHBondContact O-N 2.85Å; S382-R385 PolarHBondContact O-N 2.75Å; S382-N386 WeakPolarHBondContact O-CB 3.01Å; S382-N386 PolarHBondContact O-N 2.87Å
383M72.4Confident70.4Confident102 Ų102120.3 Ų120.350%0.50256%0.558SS.*Hα-helixtrans-62.3-41.8174.2-87.5-171-86.400112.5K379 R380 R385 N386 N387K379-M383 HydrophobicContact CD-CE 4.47Å; K379-M383 HydrophobicContact CG-CE 3.95Å; K379-M383 PolarHBondContact O-N 3.4Å; R380-M383 PolarHBondContact O-N 3.06Å; M383-R385 VanDerWaalsContact C-N 3.33Å; M383-R385 PolarHBondContact O-N 3.24Å; M383-N386 PolarHBondContact O-N 3.28Å; M383-N387 WeakPolarHBondContact O-CB 3.43Å; M383-N387 PolarHBondContact O-N 3.12Å
384R72.1Confident69.5Low198 Ų198118.6 Ų118.675%0.74756%0.558SS**Hα-helixtrans-63.6-39.8177.2-159.6175-176.2179.70.4111.3R380 N381 S382 N387 S388R380-R384 WeakPolarHBondContact O-CB 3.43Å; R380-R384 PolarHBondContact O-N 2.03Å; N381-R384 PolarHBondContact O-N 3.48Å; S382-R384 PolarHBondContact O-N 2.85Å; R384-N387 PolarHBondContact O-N 3.11Å; R384-S388 PolarHBondContact O-N 3.38Å; R384-S388 PolarHBondContact O-OG 3.32Å
385R71.7Confident68.6Low181 Ų181119.7 Ų119.768%0.68357%0.566SS**Hα-helixtrans-67.6-40.7174.9-167.8175.4-178.8174.60.1112.4N381 S382 M383 S388 I389N381-R385 WeakPolarHBondContact O-CB 3.33Å; N381-R385 PolarHBondContact O-N 3.31Å; S382-R385 PolarHBondContact O-N 2.75Å; M383-R385 VanDerWaalsContact C-N 3.33Å; M383-R385 PolarHBondContact O-N 3.24Å; R385-S388 WeakPolarHBondContact CA-OG 3.31Å; R385-S388 PolarHBondContact O-N 3.22Å; R385-S388 PolarHBondContact O-OG 2.99Å; R385-I389 HydrophobicContact CG-CD1 4.11Å; R385-I389 WeakPolarHBondContact O-CD1 3.39Å; R385-I389 VanDerWaalsContact O-CG1 3.24Å; R385-I389 WeakPolarHBondContact O-CG1 3.39Å; R385-I389 PolarHBondContact O-N 3.46Å
386N70.8Confident67.7Low93 Ų93125.7 Ų125.750%0.49758%0.581SS.*Hα-helixtrans-67.5-36.6175.7-76.6-1.2000112S382 M383 R390S382-N386 WeakPolarHBondContact O-CB 3.01Å; S382-N386 PolarHBondContact O-N 2.87Å; M383-N386 PolarHBondContact O-N 3.28Å; N386-R390 WeakPolarHBondContact O-CB 3.44Å; N386-R390 PolarHBondContact O-N 2.87Å
387N70.3Confident66.6Low100 Ų100133.5 Ų133.554%0.53560%0.601SS.*Hα-helixtrans-70.1-34.8174.5-82.7-6.1000112.7M383 R384 R391M383-N387 WeakPolarHBondContact O-CB 3.43Å; M383-N387 PolarHBondContact O-N 3.12Å; R384-N387 PolarHBondContact O-N 3.11Å; N387-R391 WeakPolarHBondContact O-CG 3.2Å; N387-R391 PolarHBondContact O-N 3.26Å
388S68.4Low65.3Low65 Ų65134.3 Ų134.346%0.45561%0.61SS.*Hα-helixtrans-69.1-40.3173.666.80000112R384 R385 R391 S392R384-S388 PolarHBondContact O-N 3.38Å; R384-S388 PolarHBondContact O-OG 3.32Å; R385-S388 WeakPolarHBondContact CA-OG 3.31Å; R385-S388 PolarHBondContact O-N 3.22Å; R385-S388 PolarHBondContact O-OG 2.99Å; S388-R391 PolarHBondContact O-N 3.37Å; S388-S392 PolarHBondContact O-N 2.98Å
389I69.9Low63.9Low75 Ų75132.4 Ų132.439%0.38561%0.614SS.*Hα-helixtrans-64.2-41.8174.1-67.6164.7000111.1R385 R391 S392 N393R385-I389 HydrophobicContact CG-CD1 4.11Å; R385-I389 WeakPolarHBondContact O-CD1 3.39Å; R385-I389 VanDerWaalsContact O-CG1 3.24Å; R385-I389 WeakPolarHBondContact O-CG1 3.39Å; R385-I389 PolarHBondContact O-N 3.46Å; I389-R391 VanDerWaalsContact C-N 3.34Å; I389-R391 PolarHBondContact O-N 3.22Å; I389-S392 PolarHBondContact O-N 2.61Å; I389-S392 PolarHBondContact O-OG 2.88Å; I389-S392 VanDerWaalsContact O-OG 3.11Å; I389-N393 WeakPolarHBondContact O-CB 3.46Å; I389-N393 PolarHBondContact O-N 3.44Å
390R64.8Low62.4Low197 Ų197131 Ų13174%0.74362%0.62SS**Hα-helixtrans-61.1-41.5173.1-90.7-175.5170.5-175.6-3112.2N386 S394N386-R390 WeakPolarHBondContact O-CB 3.44Å; N386-R390 PolarHBondContact O-N 2.87Å; R390-S394 WeakPolarHBondContact O-CB 3.18Å; R390-S394 PolarHBondContact O-N 3.38Å
391R60.1Low60.7Low200 Ų200126.7 Ų126.776%0.75562%0.619SS**Hα-helixtrans-66-40.2175.2-80.4-176.5172.3-171.6-2.8112.6N387 S388 I389 S394 M395N387-R391 WeakPolarHBondContact O-CG 3.2Å; N387-R391 PolarHBondContact O-N 3.26Å; S388-R391 PolarHBondContact O-N 3.37Å; I389-R391 VanDerWaalsContact C-N 3.34Å; I389-R391 PolarHBondContact O-N 3.22Å; R391-S394 WeakPolarHBondContact O-CB 3.48Å; R391-S394 PolarHBondContact O-N 3.1Å; R391-M395 PolarHBondContact O-N 3.5Å
392S59.8Low58.9Low59 Ų59130.2 Ų130.241%0.41364%0.636SS.*Hα-helixtrans-68.3-38.317779.20000112.4S388 I389 S394 M395 R396S388-S392 PolarHBondContact O-N 2.98Å; I389-S392 PolarHBondContact O-N 2.61Å; I389-S392 PolarHBondContact O-OG 2.88Å; I389-S392 VanDerWaalsContact O-OG 3.11Å; S392-S394 VanDerWaalsContact C-N 3.32Å; S392-M395 PolarHBondContact O-N 3.36Å; S392-R396 PolarHBondContact O-N 2.88Å
393N58.3Low57Low91 Ų91134.1 Ų134.149%0.48765%0.651SS.*Hα-helixtrans-70.6-29.6175.5-77.6-2.7000112.4I389 R397I389-N393 WeakPolarHBondContact O-CB 3.46Å; I389-N393 PolarHBondContact O-N 3.44Å; N393-R397 PolarHBondContact O-N 3.37Å
394S56.3Low55.2Low77 Ų77135.2 Ų135.254%0.53866%0.663SS.*Hα-helixtrans-66.4-43.5170.2-176.10000111.9R390 R391 S392 R397R390-S394 WeakPolarHBondContact O-CB 3.18Å; R390-S394 PolarHBondContact O-N 3.38Å; R391-S394 WeakPolarHBondContact O-CB 3.48Å; R391-S394 PolarHBondContact O-N 3.1Å; S392-S394 VanDerWaalsContact C-N 3.32Å; S394-R397 PolarHBondContact O-N 3.1Å
395M54.8Low53.4Low152 Ų152131 Ų13175%0.74966%0.662SS**Hα-helixtrans-67.2-33175.9-90.9-179.9164.100113R391 S392 R397 T398R391-M395 PolarHBondContact O-N 3.5Å; S392-M395 PolarHBondContact O-N 3.36Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 3.33Å; M395-T398 PolarHBondContact O-N 3.08Å; M395-T398 PolarHBondContact O-OG1 2.68Å; M395-T398 VanDerWaalsContact O-OG1 3.06Å
396R54.3Low51.4Low216 Ų216132.5 Ų132.582%0.81567%0.673SS**Hα-helixtrans-71.2-20.3174.2-88.9-174.5179.4-174.8-0.3114.2S392S392-R396 PolarHBondContact O-N 2.88Å
397R51.5Low49.6Very low226 Ų226134.5 Ų134.585%0.85369%0.688SS**Hα-helixtrans-84.8-13.5177.4-94.1-178.5164.9176.6-5113.6N393 S394 M395 N399N393-R397 PolarHBondContact O-N 3.37Å; S394-R397 PolarHBondContact O-N 3.1Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 3.33Å; R397-N399 PolarHBondContact O-N 3.36Å
398T45.8Very low47.8Very low95 Ų95138.8 Ų138.858%0.58371%0.705SS**  trans-97.968.6173.9540000110.2M395M395-T398 PolarHBondContact O-N 3.08Å; M395-T398 PolarHBondContact O-OG1 2.68Å; M395-T398 VanDerWaalsContact O-OG1 3.06Å
399N43.1Very low45.9Very low152 Ų152144.8 Ų144.881%0.81372%0.723SS**  trans-143.290.7159.7-107.11.3000107.5R397R397-N399 PolarHBondContact O-N 3.36Å
400P42.2Very low44.1Very low117 Ų117148.9 Ų148.976%0.7674%0.744SS**  trans-83.7120.3163.830.3-21.7000108.2L402P400-L402 PolarHBondContact O-N 2.89Å
401S39.4Very low42.5Very low99 Ų99145.2 Ų145.269%0.69274%0.744SS**  trans-50.6116.7159.446.50000109.9I403S401-I403 PolarHBondContact O-N 2.71Å
402L36.3Very low41.3Very low178 Ų178141.6 Ų141.693%0.93275%0.746SS**  trans-65.398.5168-96.8143.9000109P400P400-L402 PolarHBondContact O-N 2.89Å
403I35.1Very low39.9Very low143 Ų143148.1 Ų148.173%0.73377%0.77SS**PPolyproline II helixtrans-92.8119.5164.1-65.6172.7000106.9S401S401-I403 PolarHBondContact O-N 2.71Å
404V34.7Very low38.5Very low125 Ų125146.8 Ų146.876%0.75878%0.778SS**PPolyproline II helixtrans-63.6129.3174.61770000110
405P34.8Very low37.3Very low110 Ų110148.8 Ų148.871%0.71479%0.792SS**PPolyproline II helixtrans-84.9124.1167.231.1-26.2000110.1
406K28.8Very low36.2Very low213 Ų213150 Ų15093%0.92680%0.795SS**PPolyproline II helixtrans-80.5116.8173.6-140.3176.2-173.1179.90107.9
407V33.3Very low35Very low134 Ų134144.7 Ų144.781%0.81279%0.792SS**PPolyproline II helixtrans-102.8134.3171.2179.70000108.7
408Q31.2Very low34.2Very low190 Ų190138.3 Ų138.389%0.88879%0.787SS**PPolyproline II helixtrans-85.6143.6-169.8-142.5163.8-6.800111.1
409F29.3Very low33.5Very low192 Ų192138.4 Ų138.484%0.84279%0.792SS**PPolyproline II helixtrans-66.2140.3-176.7-86.6-100.8000114
410I31.3Very low33.1Very low161 Ų161139.5 Ų139.583%0.82679%0.792SS**  trans-136.5115.4151.3-60.9177.2000107.2
411T32.7Very low32.9Very low120 Ų120144.3 Ų144.374%0.73682%0.82SS**  trans-91.2147.4163.636.60000109.6
412P33.7Very low32.6Very low123 Ų123146.6 Ų146.680%0.79983%0.826SS**  -133.2165.8126.726.3-8.2000113
413E31.3Very low32.4Very low197 Ų197144.9 Ų144.992%0.92182%0.821SS**  trans-68.1157.6-160.8-60.3169.8138.500116.5
414G29.4Very low32.2Very low63 Ų63145.1 Ų145.165%0.64983%0.825SS**  110.9118.2120.900000118.7
415S29.2Very low32.1Very low118 Ų118146.2 Ų146.283%0.82583%0.829SS**  trans69.4149.3149.272.50000118
416Q32Very low31.9Very low177 Ų177148.5 Ų148.583%0.82784%0.837SS**  cis-169.3152.5-26.3-118.8175.9-2.300104
417S30.7Very low32.1Very low105 Ų105144.2 Ų144.273%0.73483%0.831SS**  trans70.2132.2146.366.90000122.3
418A33.5Very low32Very low92 Ų92144.9 Ų144.976%0.7683%0.832SS**  trans71.414813500000117.1
419S31.7Very low32.1Very low98 Ų98141.5 Ų141.569%0.68583%0.828SS**  cis179.5150.1-1042.60000103.9
420E35.1Very low32.3Very low175 Ų175137.3 Ų137.382%0.81883%0.826SS**  trans39.7114.1148-62.3176.2164.300120
421T37.2Very low32.4Very low218 Ų218135.1 Ų135.1100%1.33783%0.827SS**  -179.50101.326.40000111.2

Retrieved 421 of 421 residues in 115.6 ms (Link to these results)