A0A087XQE2_POEFO Loading...

Translational activator of cytochrome c oxidase 1

Acts as a translational activator of mitochondrially-encoded cytochrome c oxidase 1.

AlphaFold DB , UniProt , Accession A0A087XQE2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 294 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
1M38.8Very low40.5Very low238 Ų238167.2 Ų167.2100%1.17287%0.872SS**  094.10-69.4-162.7178.500106.7
2L38.5Very low40.7Very low178 Ų178164.3 Ų164.393%0.93287%0.868SS**  70.2121.988.1-81.1169.2000113.8
3G35.9Very low40.5Very low68 Ų68164.7 Ų164.770%0.70186%0.862SS**  trans137.383.3170.500000110.5
4L40.4Very low40.7Very low154 Ų154168.6 Ų168.681%0.80686%0.859SS**  39.8125.580.7-9781.2000111.6
5T46.7Very low41.1Very low124 Ų124165.5 Ų165.576%0.76186%0.855SS**  -162.7141.962.4-45.30000112.3
6L40.8Very low41.7Very low152 Ų152162.9 Ų162.980%0.79685%0.852SS**  trans-55151.8165.1-75111000113.7
7L39.6Very low41.6Very low168 Ų168167.2 Ų167.288%0.8885%0.854SS**  175.8115.3128.6-112.5112000111.6
8R40.8Very low41.8Very low255 Ų255168 Ų16896%0.96286%0.86SS**  trans-160.1129.3131.3-124.4174.8176.5174.4-1.2112
9A43.4Very low42.1Very low96 Ų96166.4 Ų166.479%0.79386%0.858SS**PPolyproline II helixtrans-70.9145.2-161.700000114.5
10L39.8Very low42.3Very low179 Ų179167.3 Ų167.394%0.93786%0.858SS**PPolyproline II helixtrans-63.6131.8171.4-76.2152.7000111.4
11R40.6Very low42.5Very low227 Ų227165.9 Ų165.986%0.85786%0.858SS**PPolyproline II helixtrans-62.2160.4158.1-88176.2165.4169-4.8110.5
12T43.2Very low42.9Very low133 Ų133158.9 Ų158.982%0.81684%0.837SS**  trans106.594.2156.271.30000115.1
13Q37.8Very low43.4Very low169 Ų169156.3 Ų156.379%0.7983%0.831SS**  trans-150.6128.7139.2-79.3-147.3900111.5
14R43.4Very low44.1Very low219 Ų219159.6 Ų159.683%0.82684%0.837SS**  trans81.6111.8157.4-63175.9-172.3-160.7-0.9119.9
15P46.6Very low44.2Very low123 Ų123163.6 Ų163.680%0.79984%0.842SS**  trans-84.9149.8139.632.8-29.7000111.3
16P50.5Low44.3Very low124 Ų124169 Ų16981%0.80585%0.848SS**  trans-87.1145.3178.133.9-31.4000113.3
17R40.4Very low44.7Very low236 Ų236167.8 Ų167.889%0.89185%0.847SS**  trans14.3117.6154.8-67.8-179.8-177.8-168.9-0.9118.9V19R17-V19 PolarHBondContact O-N 3.04Å
18L45.3Very low45.1Very low181 Ų181165.2 Ų165.295%0.94884%0.841SS**PPolyproline II helixtrans-60.9122.1154.2-73.2160.6000109.3
19V46.9Very low45.3Very low137 Ų137161.6 Ų161.683%0.8384%0.839SS**PPolyproline II helixtrans-84.1130171.81740000108.4R17R17-V19 PolarHBondContact O-N 3.04Å
20E45.9Very low45.4Very low185 Ų185162.5 Ų162.586%0.86484%0.84SS**PPolyproline II helixtrans-51.5138.2176-81.6166.5128.400113.2A22E20-A22 PolarHBondContact O-N 2.84Å
21T47.3Very low45.9Very low138 Ų138158.5 Ų158.585%0.84783%0.832SS**  trans-64.2115.9167.849.20000110.6
22A47.3Very low46.3Very low90 Ų90152.4 Ų152.474%0.74483%0.825SS**  trans-76.3137.4169.100000110.8E20E20-A22 PolarHBondContact O-N 2.84Å
23P48.4Very low46.3Very low124 Ų124156.6 Ų156.681%0.80583%0.826SS**  trans-76.9136.718029.9-32.6000111.6R25P23-R25 PolarHBondContact O-N 2.94Å; P23-R25 VanDerWaalsContact O-N 3.12Å
24V51.1Low46.7Very low137 Ų137159.6 Ų159.683%0.8383%0.83SS**  trans-60.5110171.8177.40000109.3R26V24-R26 PolarHBondContact O-N 2.93Å
25R42.3Very low46.9Very low238 Ų238155.9 Ų155.990%0.89883%0.826SS**  trans-63.9110.8169.2-96.6-177.4168.2-165.3-2.6109.3P23 V27P23-R25 PolarHBondContact O-N 2.94Å; P23-R25 VanDerWaalsContact O-N 3.12Å; R25-V27 PolarHBondContact O-N 3.03Å
26R48.5Very low47Very low237 Ų237155.1 Ų155.189%0.89482%0.823SS**PPolyproline II helixtrans-73116.6161.9-70.8-173.4-174-142.21.9108.3V24V24-R26 PolarHBondContact O-N 2.93Å
27V49.4Very low47.5Very low127 Ų127154.6 Ų154.677%0.7782%0.82SS**PPolyproline II helixtrans-77.5125.6167.9-175.80000107.4R25 L29R25-V27 PolarHBondContact O-N 3.03Å; V27-L29 PolarHBondContact O-N 3.29Å
28P47.8Very low48.2Very low115 Ų115148.8 Ų148.875%0.74781%0.813SS**PPolyproline II helixtrans-71.8126.2170.928.2-29.5000108.9S30P28-S30 PolarHBondContact O-N 2.93Å; P28-S30 VanDerWaalsContact O-N 3.13Å
29L45.9Very low48.4Very low179 Ų179145.2 Ų145.294%0.93780%0.802SS**  trans-60.4112.2168.2-75.2159000108.1V27 A31V27-L29 PolarHBondContact O-N 3.29Å; L29-A31 PolarHBondContact O-N 3.35Å
30S45.5Very low48.4Very low114 Ų114150.3 Ų150.380%0.79781%0.806SS**PPolyproline II helixtrans-68.9130.4174.8750000109.6P28 S32P28-S30 PolarHBondContact O-N 2.93Å; P28-S30 VanDerWaalsContact O-N 3.13Å; S30-S32 PolarHBondContact O-N 2.91Å
31A50.7Low49.1Very low95 Ų95148 Ų14879%0.78581%0.805SS**PPolyproline II helixtrans-49.3125.4176.500000112.1L29 R33L29-A31 PolarHBondContact O-N 3.35Å; A31-R33 PolarHBondContact O-N 2.79Å
32S47.2Very low49Very low100 Ų100146.3 Ų146.370%0.69980%0.798SS**PPolyproline II helixtrans-65119169.939.40000109.5S30 W34S30-S32 PolarHBondContact O-N 2.91Å; S32-W34 PolarHBondContact O-N 3.08Å
33R44.6Very low49.5Very low221 Ų221148.7 Ų148.783%0.83481%0.805SS**PPolyproline II helixtrans-68116.7176.5-156.4173.4-162.1-120.13.8108.5A31 L35A31-R33 PolarHBondContact O-N 2.79Å; R33-L35 PolarHBondContact O-N 3.28Å
34W45.5Very low49.9Very low232 Ų232148.4 Ų148.488%0.87980%0.801SS**  trans-71.3113.6173.6-71.368.8000109S32S32-W34 PolarHBondContact O-N 3.08Å
35L48.5Very low50.3Low140 Ų140152.5 Ų152.573%0.73380%0.802SS**  trans-118.6106160.9-82162.9000106.6R33R33-L35 PolarHBondContact O-N 3.28Å
36S48.6Very low51.2Low108 Ų108146.6 Ų146.676%0.75579%0.792SS**PPolyproline II helixtrans-69.8127.5172.4-49.10000109.6
37P59.6Low51.8Low112 Ų112142.4 Ų142.473%0.72779%0.787SS**PPolyproline II helixtrans-86150.5164.932.9-28.2000109.9
38P55.8Low52.2Low115 Ų115146.7 Ų146.775%0.74779%0.79SS**PPolyproline II helixtrans-71.2144.8168.729.9-25.5000108.7
39C49Very low52.8Low106 Ų106148.9 Ų148.972%0.71679%0.794SS**  trans-28.4143.4168.939.90000114.5
40W48.2Very low53.5Low243 Ų243146.4 Ų146.492%0.9278%0.782SS**  -166.8149.5118.6-90.523.6000109.1
41T60Low54.3Low137 Ų137147.1 Ų147.184%0.8478%0.781SS**  trans-71.6119.6-158.648.90000114
42C46.2Very low54.7Low103 Ų103146.6 Ų146.670%0.69678%0.777SS**  trans-145.1133.2156.4-81.50000107.6V44C42-V44 HydrophobicContact CB-CG2 4.1Å; C42-V44 PolarHBondContact O-N 2.8Å
43P55.9Low54.9Low139 Ų139151.3 Ų151.390%0.90379%0.785SS**  trans-76.779.3173.132.7-29.6000107.4R45P43-R45 PolarHBondContact O-N 2.78Å
44V58.2Low55.4Low118 Ų118146 Ų14672%0.71578%0.781SS**  trans-71.6104.6173-175.80000106.3C42 T46C42-V44 HydrophobicContact CB-CG2 4.1Å; C42-V44 PolarHBondContact O-N 2.8Å; V44-T46 PolarHBondContact O-N 3.34Å
45R59.1Low55.6Low223 Ų223139 Ų13984%0.84277%0.773SS**  trans-55107.1172.4-164.1177.4-170.7-157.62.9107.5P43 L47P43-R45 PolarHBondContact O-N 2.78Å; R45-L47 PolarHBondContact O-N 3.13Å
46T61.1Low55.4Low114 Ų114136 Ų13670%0.69978%0.776SS**  trans-66.199176.529.50000108.3V44 W48V44-T46 PolarHBondContact O-N 3.34Å; T46-W48 PolarHBondContact O-N 3.47Å
47L60.8Low55.9Low150 Ų150139.2 Ų139.279%0.78578%0.778SS**  trans-66.2102.1168.4-83.8160.4000107.5R45 L49R45-L47 PolarHBondContact O-N 3.13Å; L47-L49 VanDerWaalsContact C-N 3.26Å; L47-L49 PolarHBondContact O-N 2.82Å
48W59.1Low55.9Low217 Ų217138.3 Ų138.382%0.82277%0.767SS**  trans-66.992.9162.9-85.671000107.7T46 N50T46-W48 PolarHBondContact O-N 3.47Å; W48-N50 PolarHBondContact O-N 2.87Å
49L59Low55.7Low160 Ų160141 Ų14184%0.83877%0.767SS**  trans-69.883.7162.9-76162.2000106.8L47 T51L47-L49 VanDerWaalsContact C-N 3.26Å; L47-L49 PolarHBondContact O-N 2.82Å; L49-T51 PolarHBondContact O-N 2.76Å; L49-T51 VanDerWaalsContact O-N 3.08Å
50N61.8Low55.8Low128 Ų128144.9 Ų144.968%0.68477%0.767SS**  trans-57.9116.7153.8-82.3-13.6000105W48 A52W48-N50 PolarHBondContact O-N 2.87Å; N50-A52 VanDerWaalsContact C-N 3.26Å; N50-A52 PolarHBondContact O-N 2.78Å
51T61.4Low55.5Low128 Ų128135.4 Ų135.479%0.78574%0.738SS**  trans-54.1103.316243.10000105.2L49 F53L49-T51 PolarHBondContact O-N 2.76Å; L49-T51 VanDerWaalsContact O-N 3.08Å; T51-F53 PolarHBondContact O-N 3.46Å
52A59.1Low55.2Low85 Ų85136.2 Ų136.270%0.70273%0.73SS**  trans-59.5101.6171.400000104.5N50 C54N50-A52 VanDerWaalsContact C-N 3.26Å; N50-A52 PolarHBondContact O-N 2.78Å; A52-C54 PolarHBondContact O-N 3.09Å
53F52.1Low55.7Low198 Ų198133.3 Ų133.387%0.86871%0.709SS**  trans-63.897.3170.8-144.6-88.7000103.3T51 A55T51-F53 PolarHBondContact O-N 3.46Å; F53-A55 PolarHBondContact O-N 2.87Å
54C54.9Low56.2Low110 Ų110133.2 Ų133.274%0.74369%0.694SS**  trans-51.1113.2174.4-71.20000105A52 G56A52-C54 PolarHBondContact O-N 3.09Å; C54-G56 PolarHBondContact O-N 3.16Å
55A49.1Very low56.2Low85 Ų85134.5 Ų134.570%0.70269%0.692SS**  trans-53.9110178.500000106.4F53 H57F53-A55 PolarHBondContact O-N 2.87Å; A55-H57 PolarHBondContact O-N 3.45Å
56G45.1Very low56.6Low77 Ų77128.1 Ų128.179%0.79467%0.674SS**  trans-67.422.8-18000000113.1C54 N58C54-G56 PolarHBondContact O-N 3.16Å; G56-N58 PolarHBondContact O-N 3.43Å
57H58.9Low57.4Low175 Ų175128.5 Ų128.581%0.8167%0.666SS**  trans-91.898.6172-84.7-67.7000108.5A55 K59A55-H57 PolarHBondContact O-N 3.45Å; H57-K59 VanDerWaalsContact C-N 3.28Å; H57-K59 PolarHBondContact O-N 3.26Å
58N60Low58.2Low93 Ų93122.9 Ų122.950%0.49764%0.644SS.*  trans-59.388.8173.1-175.1-8.7000110.3G56 W60 S61 K62G56-N58 PolarHBondContact O-N 3.43Å; N58-W60 PolarHBondContact O-N 3.11Å; N58-W60 VanDerWaalsContact O-N 3.16Å; N58-W60 WeakPolarHBondContact OD1-CA 3.23Å; N58-W60 VanDerWaalsContact OD1-CB 3.23Å; N58-W60 WeakPolarHBondContact OD1-CB 3.15Å; N58-W60 PolarHBondContact OD1-N 2.91Å; N58-W60 VanDerWaalsContact OD1-N 3.09Å; N58-S61 VanDerWaalsContact CG-OG 3.25Å; N58-S61 PolarHBondContact ND2-OG 3.4Å; N58-S61 PolarHBondContact O-N 3.05Å; N58-S61 PolarHBondContact OD1-N 3.09Å; N58-K62 PolarHBondContact O-N 3.41Å; N58-K62 VanDerWaalsContact O-N 3.14Å
59K50.8Low59.4Low172 Ų172116.1 Ų116.175%0.74863%0.628SS**Hα-helixtrans-51.8-35174.5-176.4178.8178.7-179.90110.8H57 K62 V63H57-K59 VanDerWaalsContact C-N 3.28Å; H57-K59 PolarHBondContact O-N 3.26Å; K59-K62 PolarHBondContact O-N 2.92Å; K59-V63 HydrophobicContact CG-CG2 4.27Å; K59-V63 VanDerWaalsContact O-CB 3.29Å; K59-V63 WeakPolarHBondContact O-CB 3.29Å; K59-V63 WeakPolarHBondContact O-CG2 3.42Å; K59-V63 PolarHBondContact O-N 3.16Å
60W50.3Low60.6Low187 Ų187115.4 Ų115.471%0.70862%0.618SS**Hα-helixtrans-67.8-41.1177.7-175-110.9000112.8N58 V63 K64N58-W60 PolarHBondContact O-N 3.11Å; N58-W60 VanDerWaalsContact O-N 3.16Å; N58-W60 WeakPolarHBondContact OD1-CA 3.23Å; N58-W60 VanDerWaalsContact OD1-CB 3.23Å; N58-W60 WeakPolarHBondContact OD1-CB 3.15Å; N58-W60 PolarHBondContact OD1-N 2.91Å; N58-W60 VanDerWaalsContact OD1-N 3.09Å; W60-V63 PolarHBondContact O-N 3.42Å; W60-K64 WeakPolarHBondContact O-CB 3.2Å; W60-K64 PolarHBondContact O-N 2.69Å
61S43Very low61.7Low45 Ų45114.3 Ų114.332%0.31561%0.612SS.*Hα-helixtrans-63.6-44.5173.8-72.50000111.6N58 K64 H65N58-S61 VanDerWaalsContact CG-OG 3.25Å; N58-S61 PolarHBondContact ND2-OG 3.4Å; N58-S61 PolarHBondContact O-N 3.05Å; N58-S61 PolarHBondContact OD1-N 3.09Å; S61-K64 PolarHBondContact O-N 3.18Å; S61-H65 PolarHBondContact O-CD2 3.41Å; S61-H65 PolarHBondContact O-N 3.4Å
62K53.2Low62.9Low154 Ų154113.8 Ų113.867%0.6760%0.601SS**Hα-helixtrans-64.1-43.6178-165.6170.3-175177.40111.8N58 K59 H65 I66N58-K62 PolarHBondContact O-N 3.41Å; N58-K62 VanDerWaalsContact O-N 3.14Å; K59-K62 PolarHBondContact O-N 2.92Å; K62-H65 PolarHBondContact O-N 3.23Å; K62-I66 HydrophobicContact CG-CD1 4Å; K62-I66 WeakPolarHBondContact O-CD1 3.36Å; K62-I66 VanDerWaalsContact O-CG1 3.23Å; K62-I66 WeakPolarHBondContact O-CG1 3.48Å; K62-I66 PolarHBondContact O-N 3.02Å; K62-I66 VanDerWaalsContact O-N 3.13Å
63V57.3Low64.2Low42 Ų42112.4 Ų112.426%0.25559%0.59SS.*Hα-helixtrans-65-39.4175.1171.10000111.2K59 W60 I66 K67K59-V63 HydrophobicContact CG-CG2 4.27Å; K59-V63 VanDerWaalsContact O-CB 3.29Å; K59-V63 WeakPolarHBondContact O-CB 3.29Å; K59-V63 WeakPolarHBondContact O-CG2 3.42Å; K59-V63 PolarHBondContact O-N 3.16Å; W60-V63 PolarHBondContact O-N 3.42Å; V63-I66 PolarHBondContact O-N 2.95Å; V63-K67 HydrophobicContact CG1-CD 3.53Å; V63-K67 HydrophobicContact CG1-CG 3.88Å; V63-K67 VanDerWaalsContact O-CB 3.22Å; V63-K67 WeakPolarHBondContact O-CB 3.33Å; V63-K67 WeakPolarHBondContact O-CG 3.4Å; V63-K67 PolarHBondContact O-N 3.42Å
64K66.1Low66Low136 Ų136108.5 Ų108.559%0.59157%0.569SS**Hα-helixtrans-64.1-44.3176.6-177.1-176.1178.4-174.30111.8W60 S61 I66 G68W60-K64 WeakPolarHBondContact O-CB 3.2Å; W60-K64 PolarHBondContact O-N 2.69Å; S61-K64 PolarHBondContact O-N 3.18Å; K64-I66 PolarHBondContact O-N 2.86Å; K64-G68 WeakPolarHBondContact O-CA 3.43Å; K64-G68 PolarHBondContact O-N 3.38Å
65H57.5Low67.7Low145 Ų145104.8 Ų104.867%0.67155%0.549SS*.Hα-helixtrans-66-27.1177.4-77.6-68.4000113S61 K62 P69S61-H65 PolarHBondContact O-CD2 3.41Å; S61-H65 PolarHBondContact O-N 3.4Å; K62-H65 PolarHBondContact O-N 3.23Å; H65-P69 WeakPolarHBondContact O-CD 3.32Å; H65-P69 WeakPolarHBondContact O-CG 3.5Å
66I69Low69.6Low89 Ų89104.2 Ų104.246%0.45653%0.53SS..Hα-helixtrans-89.3-44.1178.2-63.7165.7000111.7K62 V63 K64 K70K62-I66 HydrophobicContact CG-CD1 4Å; K62-I66 WeakPolarHBondContact O-CD1 3.36Å; K62-I66 VanDerWaalsContact O-CG1 3.23Å; K62-I66 WeakPolarHBondContact O-CG1 3.48Å; K62-I66 PolarHBondContact O-N 3.02Å; K62-I66 VanDerWaalsContact O-N 3.13Å; V63-I66 PolarHBondContact O-N 2.95Å; K64-I66 PolarHBondContact O-N 2.86Å; I66-K70 WeakPolarHBondContact O-CG 3.4Å
67K76Confident71.8Confident123 Ų123102.4 Ų102.454%0.53550%0.502SS..Hα-helixtrans-78.3-37.9-177.8-70.9-169.4178.6-174.10112.7V63 K70 D71V63-K67 HydrophobicContact CG1-CD 3.53Å; V63-K67 HydrophobicContact CG1-CG 3.88Å; V63-K67 VanDerWaalsContact O-CB 3.22Å; V63-K67 WeakPolarHBondContact O-CB 3.33Å; V63-K67 WeakPolarHBondContact O-CG 3.4Å; V63-K67 PolarHBondContact O-N 3.42Å; K67-K70 PolarHBondContact O-N 3.07Å; K67-K70 VanDerWaalsContact O-N 3.15Å; K67-D71 WeakPolarHBondContact O-CB 3.22Å; K67-D71 VanDerWaalsContact O-CG 3.23Å; K67-D71 PolarHBondContact O-N 3.38Å
68G78.8Confident73.4Confident31 Ų3196.4 Ų96.432%0.3248%0.475SS..Hα-helixtrans-52.6-56.1-177.800000112.9K64 K70 D71 E72K64-G68 WeakPolarHBondContact O-CA 3.43Å; K64-G68 PolarHBondContact O-N 3.38Å; G68-K70 VanDerWaalsContact C-N 3.32Å; G68-K70 PolarHBondContact O-N 3.06Å; G68-D71 PolarHBondContact O-N 3.42Å; G68-E72 WeakPolarHBondContact O-CB 3.06Å; G68-E72 PolarHBondContact O-N 3.07Å
69P84.6Confident75Confident75 Ų7595.5 Ų95.549%0.48748%0.477SS..Hα-helixtrans-61.8-37.6178.1-24.334.9000113.3H65 E72 A73H65-P69 WeakPolarHBondContact O-CD 3.32Å; H65-P69 WeakPolarHBondContact O-CG 3.5Å; P69-E72 PolarHBondContact O-N 3.24Å; P69-A73 WeakPolarHBondContact O-CB 3.39Å; P69-A73 PolarHBondContact O-N 2.98Å
70K83.2Confident76.9Confident146 Ų14688.7 Ų88.764%0.63545%0.447SS*.Hα-helixtrans-68.7-43178.8-69.9-172.3177.1-161.20112.5I66 K67 G68 E72 A73 R74I66-K70 WeakPolarHBondContact O-CG 3.4Å; K67-K70 PolarHBondContact O-N 3.07Å; K67-K70 VanDerWaalsContact O-N 3.15Å; G68-K70 VanDerWaalsContact C-N 3.32Å; G68-K70 PolarHBondContact O-N 3.06Å; K70-E72 VanDerWaalsContact C-N 3.32Å; K70-A73 PolarHBondContact O-N 3.36Å; K70-R74 WeakPolarHBondContact O-CB 3.15Å; K70-R74 PolarHBondContact O-N 3.45Å
71D84.8Confident79Confident104 Ų10480.3 Ų80.356%0.55642%0.415SS*.Hα-helixtrans-67.9-36.1177.6-67.9-21.7000110.3K67 G68 G75K67-D71 WeakPolarHBondContact O-CB 3.22Å; K67-D71 VanDerWaalsContact O-CG 3.23Å; K67-D71 PolarHBondContact O-N 3.38Å; G68-D71 PolarHBondContact O-N 3.42Å; D71-G75 PolarHBondContact O-N 3.46Å
72E87.4Confident81.4Confident117 Ų11779.2 Ų79.255%0.54741%0.411SS..Hα-helixtrans-65.2-49.4173.3-175.1177.9170.300111.7G68 P69 K70 R74 G75 K76G68-E72 WeakPolarHBondContact O-CB 3.06Å; G68-E72 PolarHBondContact O-N 3.07Å; P69-E72 PolarHBondContact O-N 3.24Å; K70-E72 VanDerWaalsContact C-N 3.32Å; E72-R74 VanDerWaalsContact C-N 3.33Å; E72-R74 PolarHBondContact O-N 3.14Å; E72-G75 PolarHBondContact O-N 2.75Å; E72-G75 VanDerWaalsContact O-N 3.13Å; E72-K76 WeakPolarHBondContact O-CG 3.48Å; E72-K76 PolarHBondContact O-N 2.72Å; E72-K76 WeakPolarHBondContact OE1-CE 3.47Å; E72-K76 IonicContact OE1-NZ 2.83Å; E72-K76 PolarHBondContact OE1-NZ 3.47Å
73A86.4Confident83.3Confident57 Ų5773.1 Ų73.147%0.47139%0.385SS..Hα-helixtrans-58.3-44.9176.300000111.6P69 K70 G75 K76 M77P69-A73 WeakPolarHBondContact O-CB 3.39Å; P69-A73 PolarHBondContact O-N 2.98Å; K70-A73 PolarHBondContact O-N 3.36Å; A73-G75 PolarHBondContact O-N 3.32Å; A73-K76 WeakPolarHBondContact O-CB 3.23Å; A73-K76 PolarHBondContact O-N 3.3Å; A73-M77 PolarHBondContact O-N 3.38Å
74R89.1Confident85Confident116 Ų11672.4 Ų72.444%0.43838%0.379SS..Hα-helixtrans-63.2-40.2174.7-171.5177.2-172.8148.51112.2K70 E72 M77 I78 N113K70-R74 WeakPolarHBondContact O-CB 3.15Å; K70-R74 PolarHBondContact O-N 3.45Å; E72-R74 VanDerWaalsContact C-N 3.33Å; E72-R74 PolarHBondContact O-N 3.14Å; R74-M77 PolarHBondContact O-N 2.77Å; R74-I78 HydrophobicContact CG-CD1 4.08Å; R74-I78 VanDerWaalsContact O-CG1 3.29Å; R74-I78 WeakPolarHBondContact O-CG1 3.43Å; R74-I78 PolarHBondContact O-N 3.27Å; R74-N113 PolarHBondContact NH2-O 3.48Å
75G90.4Very high86.3Confident31 Ų3166 Ų6632%0.3235%0.352SS..Hα-helixtrans-62.5-41.6176.200000112.6D71 E72 A73 S79D71-G75 PolarHBondContact O-N 3.46Å; E72-G75 PolarHBondContact O-N 2.75Å; E72-G75 VanDerWaalsContact O-N 3.13Å; A73-G75 PolarHBondContact O-N 3.32Å; G75-S79 WeakPolarHBondContact O-CB 3.35Å; G75-S79 PolarHBondContact O-N 3.14Å; G75-S79 PolarHBondContact O-OG 3.14Å
76K90.3Very high88.1Confident73 Ų7362.6 Ų62.632%0.31733%0.333SS..Hα-helixtrans-60.7-50173-70.4175.6-178.8-176.20110.5E72 A73 I78 S79 K80 D279E72-K76 WeakPolarHBondContact O-CG 3.48Å; E72-K76 PolarHBondContact O-N 2.72Å; E72-K76 WeakPolarHBondContact OE1-CE 3.47Å; E72-K76 IonicContact OE1-NZ 2.83Å; E72-K76 PolarHBondContact OE1-NZ 3.47Å; A73-K76 WeakPolarHBondContact O-CB 3.23Å; A73-K76 PolarHBondContact O-N 3.3Å; K76-I78 PolarHBondContact O-N 2.71Å; K76-S79 WeakPolarHBondContact O-CB 3.42Å; K76-S79 PolarHBondContact O-N 3.03Å; K76-S79 VanDerWaalsContact O-N 3.11Å; K76-K80 WeakPolarHBondContact O-CG 3.3Å; K76-K80 PolarHBondContact O-N 3.15Å; K76-D279 WeakPolarHBondContact CD-OD1 3.44Å; K76-D279 WeakPolarHBondContact CE-OD1 3.36Å; K76-D279 IonicContact NZ-OD1 2.92Å; K76-D279 PolarHBondContact NZ-OD1 2.82Å; K76-D279 IonicContact NZ-OD2 3.1Å; K76-D279 PolarHBondContact NZ-OD2 3.25Å
77M90.6Very high89.2Confident39 Ų3959.1 Ų59.119%0.19232%0.315CS..Hα-helixtrans-55.4-51.2177.3-176.4-174.6-70.500112.1A73 R74 S79 K80 F81 K112 E218A73-M77 PolarHBondContact O-N 3.38Å; R74-M77 PolarHBondContact O-N 2.77Å; M77-S79 VanDerWaalsContact C-N 3.25Å; M77-S79 PolarHBondContact O-N 3.13Å; M77-K80 PolarHBondContact O-N 3.17Å; M77-K80 VanDerWaalsContact O-N 3.12Å; M77-F81 HydrophobicContact CG-CD2 3.74Å; M77-F81 HydrophobicContact CG-CE2 3.6Å; M77-F81 VanDerWaalsContact O-CD2 3.27Å; M77-F81 WeakPolarHBondContact O-CD2 3.2Å; M77-F81 PolarHBondContact O-N 3.05Å; M77-F81 HydrophobicContact SD-CE2 4.28Å; M77-K112 HydrophobicContact CE-CD 3.93Å; M77-K112 HydrophobicContact CG-CD 4.42Å; M77-K112 HydrophobicContact SD-CB 3.93Å; M77-K112 HydrophobicContact SD-CD 3.57Å; M77-K112 VanDerWaalsContact SD-CD 3.57Å; M77-K112 HydrophobicContact SD-CG 4.38Å; M77-E218 WeakPolarHBondContact CE-OE2 3.5Å
78I92.9Very high90Very high49 Ų4953.4 Ų53.425%0.25129%0.291SS..Hα-helixtrans-57.5-41177.7-68.8168.4000111.1R74 K76 F81 G82 I114R74-I78 HydrophobicContact CG-CD1 4.08Å; R74-I78 VanDerWaalsContact O-CG1 3.29Å; R74-I78 WeakPolarHBondContact O-CG1 3.43Å; R74-I78 PolarHBondContact O-N 3.27Å; K76-I78 PolarHBondContact O-N 2.71Å; I78-F81 PolarHBondContact O-N 2.95Å; I78-G82 PolarHBondContact O-N 3.03Å; I78-I114 HydrophobicContact CG1-CD1 4.4Å; I78-I114 HydrophobicContact CG1-CG1 4.3Å; I78-I114 HydrophobicContact CG1-CG2 4.22Å
79S92.4Very high90.7Very high75 Ų7552.5 Ų52.552%0.52428%0.279SS..Hα-helixtrans-65-41.6178.4-56.60000111.8G75 K76 M77 G82 M83G75-S79 WeakPolarHBondContact O-CB 3.35Å; G75-S79 PolarHBondContact O-N 3.14Å; G75-S79 PolarHBondContact O-OG 3.14Å; K76-S79 WeakPolarHBondContact O-CB 3.42Å; K76-S79 PolarHBondContact O-N 3.03Å; K76-S79 VanDerWaalsContact O-N 3.11Å; M77-S79 VanDerWaalsContact C-N 3.25Å; M77-S79 PolarHBondContact O-N 3.13Å; S79-G82 PolarHBondContact O-N 2.87Å; S79-M83 PolarHBondContact O-N 3.02Å; S79-M83 VanDerWaalsContact O-N 3.11Å
80K92.2Very high91Very high29 Ų2955.2 Ų55.213%0.12628%0.283CS..Hα-helixtrans-63.7-47.4175.4-62.1-47.3-174.5-174.20112.1K76 M77 G82 M83 M84 T278 L280 V283K76-K80 WeakPolarHBondContact O-CG 3.3Å; K76-K80 PolarHBondContact O-N 3.15Å; M77-K80 PolarHBondContact O-N 3.17Å; M77-K80 VanDerWaalsContact O-N 3.12Å; K80-G82 VanDerWaalsContact C-N 3.27Å; K80-G82 PolarHBondContact O-N 3.19Å; K80-M83 HydrophobicContact CD-CE 3.36Å; K80-M83 WeakPolarHBondContact O-CB 3.45Å; K80-M83 PolarHBondContact O-N 3.33Å; K80-M83 VanDerWaalsContact O-N 3.1Å; K80-M84 PolarHBondContact O-N 3Å; K80-T278 WeakPolarHBondContact CE-O 3.38Å; K80-T278 PolarHBondContact NZ-O 3.12Å; K80-L280 PolarHBondContact NZ-O 3.45Å; K80-V283 PolarHBondContact NZ-O 3.2Å
81F93.4Very high91.2Very high11 Ų1153.7 Ų53.75%0.04828%0.278CS..Hα-helixtrans-60.8-37.6174.1-80.9-76.3000112.3M77 I78 M83 M84 I85 Q108 C109 K112 I114M77-F81 HydrophobicContact CG-CD2 3.74Å; M77-F81 HydrophobicContact CG-CE2 3.6Å; M77-F81 VanDerWaalsContact O-CD2 3.27Å; M77-F81 WeakPolarHBondContact O-CD2 3.2Å; M77-F81 PolarHBondContact O-N 3.05Å; M77-F81 HydrophobicContact SD-CE2 4.28Å; I78-F81 PolarHBondContact O-N 2.95Å; F81-M83 VanDerWaalsContact C-N 3.29Å; F81-M83 PolarHBondContact O-N 3.46Å; F81-M84 HydrophobicContact CB-CE 4.34Å; F81-M84 HydrophobicContact CD1-CE 3.34Å; F81-M84 HydrophobicContact CD2-CE 4.29Å; F81-M84 HydrophobicContact CE1-CE 3.53Å; F81-M84 HydrophobicContact CE2-CE 4.43Å; F81-M84 HydrophobicContact CG-CE 3.76Å; F81-M84 HydrophobicContact CZ-CE 4.09Å; F81-M84 PolarHBondContact O-N 3.07Å; F81-I85 WeakPolarHBondContact O-CB 3.47Å; F81-I85 VanDerWaalsContact O-CG1 3.27Å; F81-I85 WeakPolarHBondContact O-CG1 3.46Å; F81-I85 PolarHBondContact O-N 3.28Å; F81-Q108 HydrophobicContact CE1-CB 4Å; F81-C109 WeakPolarHBondContact CD1-SG 3.31Å; F81-K112 HydrophobicContact CE2-CD 3.65Å; F81-K112 HydrophobicContact CZ-CD 3.71Å; F81-K112 HydrophobicContact CZ-CG 4.43Å; F81-I114 HydrophobicContact CB-CD1 3.97Å; F81-I114 HydrophobicContact CD2-CD1 3.35Å; F81-I114 HydrophobicContact CE2-CD1 4Å; F81-I114 HydrophobicContact CG-CD1 3.71Å
82G93.7Very high91.3Very high21 Ų2150.8 Ų50.822%0.21627%0.272CS..Hα-helixtrans-58.7-39.1173.800000113.1I78 S79 K80 R86I78-G82 PolarHBondContact O-N 3.03Å; S79-G82 PolarHBondContact O-N 2.87Å; K80-G82 VanDerWaalsContact C-N 3.27Å; K80-G82 PolarHBondContact O-N 3.19Å; G82-R86 WeakPolarHBondContact O-CB 3.43Å; G82-R86 PolarHBondContact O-N 3.49Å
83M93.2Very high91.6Very high26 Ų2646.8 Ų46.813%0.12826%0.263CS..Hα-helixtrans-70-42.8174.7-69.6-173.5-75.400112.7S79 K80 F81 R86 I87 L152 V283 V284S79-M83 PolarHBondContact O-N 3.02Å; S79-M83 VanDerWaalsContact O-N 3.11Å; K80-M83 HydrophobicContact CD-CE 3.36Å; K80-M83 WeakPolarHBondContact O-CB 3.45Å; K80-M83 PolarHBondContact O-N 3.33Å; K80-M83 VanDerWaalsContact O-N 3.1Å; F81-M83 VanDerWaalsContact C-N 3.29Å; F81-M83 PolarHBondContact O-N 3.46Å; M83-R86 WeakPolarHBondContact O-CB 3.26Å; M83-R86 PolarHBondContact O-N 3.09Å; M83-I87 WeakPolarHBondContact O-CG1 3.24Å; M83-I87 PolarHBondContact O-N 3.48Å; M83-L152 HydrophobicContact CB-CD2 4.2Å; M83-L152 HydrophobicContact CG-CD2 4.45Å; M83-V283 WeakPolarHBondContact CE-O 3.48Å; M83-V284 HydrophobicContact CB-CG1 4.49Å; M83-V284 HydrophobicContact CB-CG2 4.12Å; M83-V284 HydrophobicContact SD-CG2 4.2Å
84M92.7Very high91.9Very high28 Ų2845.9 Ų45.914%0.13825%0.253CS..Hα-helixtrans-62.9-42176.3-66.7-172.5-70.400111.7K80 F81 R86 I87 A88 L105 V284K80-M84 PolarHBondContact O-N 3Å; F81-M84 HydrophobicContact CB-CE 4.34Å; F81-M84 HydrophobicContact CD1-CE 3.34Å; F81-M84 HydrophobicContact CD2-CE 4.29Å; F81-M84 HydrophobicContact CE1-CE 3.53Å; F81-M84 HydrophobicContact CE2-CE 4.43Å; F81-M84 HydrophobicContact CG-CE 3.76Å; F81-M84 HydrophobicContact CZ-CE 4.09Å; F81-M84 PolarHBondContact O-N 3.07Å; M84-R86 VanDerWaalsContact C-N 3.33Å; M84-R86 PolarHBondContact O-N 3.34Å; M84-I87 WeakPolarHBondContact O-CB 3.38Å; M84-I87 PolarHBondContact O-N 3.13Å; M84-A88 PolarHBondContact O-N 3.31Å; M84-L105 HydrophobicContact CB-CD1 4.02Å; M84-L105 HydrophobicContact CB-CD2 3.94Å; M84-L105 HydrophobicContact CE-CD2 4.49Å; M84-L105 WeakPolarHBondContact O-CD1 3.34Å; M84-L105 HydrophobicContact SD-CD2 4.31Å; M84-V284 HydrophobicContact CG-CG1 3.62Å
85I94.6Very high92Very high2 Ų243.4 Ų43.41%0.0125%0.249CC..Hα-helixtrans-59.7-45.5172.7-72.2167.1000110F81 I87 A88 V89 L102 L105 I119 A122 I123F81-I85 WeakPolarHBondContact O-CB 3.47Å; F81-I85 VanDerWaalsContact O-CG1 3.27Å; F81-I85 WeakPolarHBondContact O-CG1 3.46Å; F81-I85 PolarHBondContact O-N 3.28Å; I85-I87 VanDerWaalsContact C-N 3.27Å; I85-I87 PolarHBondContact O-N 3.07Å; I85-A88 PolarHBondContact O-N 2.93Å; I85-V89 HydrophobicContact CG2-CG2 4.05Å; I85-V89 WeakPolarHBondContact O-CB 3.29Å; I85-V89 WeakPolarHBondContact O-CG2 3.25Å; I85-V89 PolarHBondContact O-N 2.95Å; I85-L102 HydrophobicContact CB-CD1 4.49Å; I85-L102 HydrophobicContact CG1-CD1 4.38Å; I85-L102 HydrophobicContact CG2-CD1 3.93Å; I85-L105 HydrophobicContact CG1-CB 4.5Å; I85-I119 HydrophobicContact CD1-CG2 4.17Å; I85-A122 HydrophobicContact CB-CB 4.4Å; I85-A122 HydrophobicContact CD1-CB 4.03Å; I85-A122 HydrophobicContact CG2-CB 4.08Å; I85-I123 HydrophobicContact CG2-CG1 3.69Å
86R93.5Very high92Very high72 Ų7244.3 Ų44.327%0.27225%0.249SC..Hα-helixtrans-60.2-38.2178.5-178.7175.7176.9-1680.4112.6G82 M83 M84 K90 A126 K130 L152G82-R86 WeakPolarHBondContact O-CB 3.43Å; G82-R86 PolarHBondContact O-N 3.49Å; M83-R86 WeakPolarHBondContact O-CB 3.26Å; M83-R86 PolarHBondContact O-N 3.09Å; M84-R86 VanDerWaalsContact C-N 3.33Å; M84-R86 PolarHBondContact O-N 3.34Å; R86-K90 WeakPolarHBondContact O-CB 3.29Å; R86-K90 PolarHBondContact O-N 2.92Å; R86-K90 VanDerWaalsContact O-N 3.12Å; R86-A126 HydrophobicContact CB-CB 4Å; R86-A126 HydrophobicContact CG-CB 3.99Å; R86-K130 PolarHBondContact NH2-O 3.31Å; R86-L152 HydrophobicContact CB-CD2 4.27Å; R86-L152 HydrophobicContact CG-CD2 4.16Å
87I92.6Very high92Very high17 Ų1749 Ų499%0.08727%0.272CS..Hα-helixtrans-61.8-54.4173.1-74.8167.8000110.3M83 M84 I85 V89 K90 E91 Q134 L152 V284M83-I87 WeakPolarHBondContact O-CG1 3.24Å; M83-I87 PolarHBondContact O-N 3.48Å; M84-I87 WeakPolarHBondContact O-CB 3.38Å; M84-I87 PolarHBondContact O-N 3.13Å; I85-I87 VanDerWaalsContact C-N 3.27Å; I85-I87 PolarHBondContact O-N 3.07Å; I87-V89 VanDerWaalsContact C-N 3.33Å; I87-V89 PolarHBondContact O-N 3.41Å; I87-K90 WeakPolarHBondContact O-CB 3.48Å; I87-K90 PolarHBondContact O-N 3.22Å; I87-K90 VanDerWaalsContact O-N 3.08Å; I87-E91 WeakPolarHBondContact CG2-OE1 3.48Å; I87-E91 PolarHBondContact O-N 3.28Å; I87-E91 VanDerWaalsContact O-N 3.08Å; I87-Q134 HydrophobicContact CD1-CG 4.17Å; I87-Q134 HydrophobicContact CG1-CG 4.11Å; I87-L152 HydrophobicContact CD1-CB 4.37Å; I87-L152 HydrophobicContact CD1-CD1 4.48Å; I87-L152 HydrophobicContact CD1-CD2 4.34Å; I87-L152 HydrophobicContact CG1-CD1 4Å; I87-L152 HydrophobicContact CG1-CD2 3.95Å; I87-L152 HydrophobicContact CG1-CG 4.43Å; I87-V284 HydrophobicContact CD1-CG1 4.21Å; I87-V284 HydrophobicContact CD1-CG2 4.09Å
88A92.6Very high92Very high3 Ų354 Ų543%0.02530%0.298CS..Hα-helixtrans-60.8-40.3-17800000112.7M84 I85 K90 E91 G92 N99 N101 L102 L105M84-A88 PolarHBondContact O-N 3.31Å; I85-A88 PolarHBondContact O-N 2.93Å; A88-K90 VanDerWaalsContact C-N 3.33Å; A88-K90 PolarHBondContact O-N 2.7Å; A88-E91 PolarHBondContact O-N 3.1Å; A88-G92 PolarHBondContact O-N 3.48Å; A88-N99 PolarHBondContact O-ND2 2.98Å; A88-N101 HydrophobicContact CB-CB 4.42Å; A88-L102 HydrophobicContact CB-CB 4.25Å; A88-L102 HydrophobicContact CB-CD1 4.44Å; A88-L105 HydrophobicContact CB-CD1 3.69Å
89V93.5Very high91.9Very high11 Ų1152.1 Ų52.17%0.06729%0.289CS..Hα-helixtrans-63.4-39.6176172.70000111.3I85 I87 E91 G93 L102 I123 A126 E127I85-V89 HydrophobicContact CG2-CG2 4.05Å; I85-V89 WeakPolarHBondContact O-CB 3.29Å; I85-V89 WeakPolarHBondContact O-CG2 3.25Å; I85-V89 PolarHBondContact O-N 2.95Å; I87-V89 VanDerWaalsContact C-N 3.33Å; I87-V89 PolarHBondContact O-N 3.41Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 2.93Å; V89-G93 WeakPolarHBondContact CA-O 3.26Å; V89-G93 CarbonylContact O-C 3.56Å; V89-G93 WeakPolarHBondContact O-CA 3.28Å; V89-G93 PolarHBondContact O-N 3.39Å; V89-L102 HydrophobicContact CG2-CD1 4.12Å; V89-L102 HydrophobicContact CG2-CD2 4.03Å; V89-I123 HydrophobicContact CG2-CG2 4.38Å; V89-A126 HydrophobicContact CB-CB 3.85Å; V89-A126 HydrophobicContact CG1-CB 3.83Å; V89-A126 HydrophobicContact CG2-CB 4.06Å; V89-E127 HydrophobicContact CG1-CG 4.45Å
90K90.4Very high91.7Very high133 Ų13353.2 Ų53.258%0.57829%0.288SS*.Hα-helixtrans-67-33.8178.5-171.7-175.1176.4-165.60112.1R86 I87 A88 A132R86-K90 WeakPolarHBondContact O-CB 3.29Å; R86-K90 PolarHBondContact O-N 2.92Å; R86-K90 VanDerWaalsContact O-N 3.12Å; I87-K90 WeakPolarHBondContact O-CB 3.48Å; I87-K90 PolarHBondContact O-N 3.22Å; I87-K90 VanDerWaalsContact O-N 3.08Å; A88-K90 VanDerWaalsContact C-N 3.33Å; A88-K90 PolarHBondContact O-N 2.7Å; K90-A132 PolarHBondContact NZ-O 3.33Å
91E88.9Confident91.5Very high114 Ų11455.8 Ų55.853%0.53330%0.303SS..Hα-helixtrans-83.5-41.9-177.6-71171.1-173.100113.3I87 A88 V89 Q134I87-E91 WeakPolarHBondContact CG2-OE1 3.48Å; I87-E91 PolarHBondContact O-N 3.28Å; I87-E91 VanDerWaalsContact O-N 3.08Å; A88-E91 PolarHBondContact O-N 3.1Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 2.93Å; E91-Q134 PolarHBondContact OE1-NE2 3.1Å
92G87.4Confident91.4Very high42 Ų4255.3 Ų55.343%0.43330%0.301SS..Hα-helixtrans-125.95.7-170.700000115.5A88 N99A88-G92 PolarHBondContact O-N 3.48Å; G92-N99 VanDerWaalsContact C-ND2 3.31Å; G92-N99 WeakPolarHBondContact CA-ND2 3.34Å
93G91.7Very high91.3Very high34 Ų3455.4 Ų55.435%0.35130%0.3SS..  trans85.5171.9-177.500000113.9V89 N99V89-G93 WeakPolarHBondContact CA-O 3.26Å; V89-G93 CarbonylContact O-C 3.56Å; V89-G93 WeakPolarHBondContact O-CA 3.28Å; V89-G93 PolarHBondContact O-N 3.39Å; G93-N99 PolarHBondContact O-ND2 2.89Å
94S93Very high91.1Very high38 Ų3854.7 Ų54.727%0.26630%0.297SS..SBendtrans-85.7-9.5-170.254.70000115.7P96 L102 I123 E127S94-P96 WeakPolarHBondContact O-CD 3.35Å; S94-L102 WeakPolarHBondContact O-CD2 3.47Å; S94-I123 WeakPolarHBondContact O-CG2 3.45Å; S94-E127 WeakPolarHBondContact CB-OE1 3.35Å; S94-E127 PolarHBondContact OG-OE1 3Å
95N91.6Very high91Very high64 Ų6454.4 Ų54.434%0.34230%0.296SS..  trans-87.1113.8-180-172-6.6000110.6E97 L98 N99N95-E97 PolarHBondContact O-N 3.3Å; N95-E97 PolarHBondContact OD1-N 2.94Å; N95-L98 HydrophobicContact CB-CB 4.38Å; N95-L98 HydrophobicContact CB-CD1 4.21Å; N95-L98 HydrophobicContact CB-CG 4.31Å; N95-L98 PolarHBondContact O-N 3.1Å; N95-N99 WeakPolarHBondContact O-CB 3.33Å; N95-N99 PolarHBondContact O-N 3.4Å; N95-N99 VanDerWaalsContact O-N 3.07Å
96P90.8Very high90.9Very high49 Ų4954.9 Ų54.932%0.31830%0.299SS..THydrogen-bonded Turntrans-63.9-25.217926.8-35.3000113.3S94 L98 L102S94-P96 WeakPolarHBondContact O-CD 3.35Å; P96-L98 VanDerWaalsContact C-N 3.29Å; P96-L98 PolarHBondContact O-N 2.89Å; P96-L102 HydrophobicContact CB-CD2 4.29Å; P96-L102 HydrophobicContact CB-CG 4.24Å
97E89.9Confident90.8Very high173 Ų17355.8 Ų55.881%0.80831%0.306SS*.THydrogen-bonded Turntrans-70.9-27.3178.2-63.3-177.3169.700112.8N95N95-E97 PolarHBondContact O-N 3.3Å; N95-E97 PolarHBondContact OD1-N 2.94Å
98L90.3Very high90.6Very high142 Ų14256.7 Ų56.774%0.74331%0.31SS*.THydrogen-bonded Turntrans-97.3-19.3179.8-59.6177.2000112.2N95 P96N95-L98 HydrophobicContact CB-CB 4.38Å; N95-L98 HydrophobicContact CB-CD1 4.21Å; N95-L98 HydrophobicContact CB-CG 4.31Å; N95-L98 PolarHBondContact O-N 3.1Å; P96-L98 VanDerWaalsContact C-N 3.29Å; P96-L98 PolarHBondContact O-N 2.89Å
99N92.1Very high90.6Very high11 Ų1156.6 Ų56.66%0.05931%0.309CS..  trans-116.797.7-175.4-176.1-8.8000110.6A88 G92 G93 N95 N101 L102 A103A88-N99 PolarHBondContact O-ND2 2.98Å; G92-N99 VanDerWaalsContact C-ND2 3.31Å; G92-N99 WeakPolarHBondContact CA-ND2 3.34Å; G93-N99 PolarHBondContact O-ND2 2.89Å; N95-N99 WeakPolarHBondContact O-CB 3.33Å; N95-N99 PolarHBondContact O-N 3.4Å; N95-N99 VanDerWaalsContact O-N 3.07Å; N99-N101 VanDerWaalsContact C-N 3.29Å; N99-N101 PolarHBondContact O-N 3.08Å; N99-N101 PolarHBondContact OD1-N 3.13Å; N99-L102 HydrophobicContact CB-CB 3.89Å; N99-L102 WeakPolarHBondContact O-CB 2.96Å; N99-L102 PolarHBondContact O-N 3.47Å; N99-L102 VanDerWaalsContact O-N 3.09Å; N99-L102 PolarHBondContact OD1-N 2.85Å; N99-A103 PolarHBondContact O-N 3.26Å
100I87Confident90.4Very high97 Ų9763.6 Ų63.650%0.49733%0.334SS..Hα-helixtrans-58.6-40.1-177.7-59.2171.1000111.4L102 A103 N104I100-L102 VanDerWaalsContact C-N 3.31Å; I100-L102 PolarHBondContact O-N 2.94Å; I100-A103 WeakPolarHBondContact O-CB 3.3Å; I100-A103 PolarHBondContact O-N 3.28Å; I100-N104 PolarHBondContact O-N 3Å; I100-N104 PolarHBondContact O-OD1 3.49Å
101N88.1Confident90.2Very high84 Ų8460.2 Ų60.245%0.44933%0.327SS..Hα-helixtrans-63.3-40.4178.8-69.1-9.1000111.2A88 N99 L105A88-N101 HydrophobicContact CB-CB 4.42Å; N99-N101 VanDerWaalsContact C-N 3.29Å; N99-N101 PolarHBondContact O-N 3.08Å; N99-N101 PolarHBondContact OD1-N 3.13Å; N101-L105 WeakPolarHBondContact O-CG 3.36Å; N101-L105 PolarHBondContact O-N 3.46Å; N101-L105 VanDerWaalsContact O-N 3.1Å
102L92.6Very high90.2Very high0 Ų058.8 Ų58.80%032%0.319CS..Hα-helixtrans-67.9-41.3175.2-178.461.1000111.5I85 A88 V89 S94 P96 N99 I100 N104 L105 V106 I123I85-L102 HydrophobicContact CB-CD1 4.49Å; I85-L102 HydrophobicContact CG1-CD1 4.38Å; I85-L102 HydrophobicContact CG2-CD1 3.93Å; A88-L102 HydrophobicContact CB-CB 4.25Å; A88-L102 HydrophobicContact CB-CD1 4.44Å; V89-L102 HydrophobicContact CG2-CD1 4.12Å; V89-L102 HydrophobicContact CG2-CD2 4.03Å; S94-L102 WeakPolarHBondContact O-CD2 3.47Å; P96-L102 HydrophobicContact CB-CD2 4.29Å; P96-L102 HydrophobicContact CB-CG 4.24Å; N99-L102 HydrophobicContact CB-CB 3.89Å; N99-L102 WeakPolarHBondContact O-CB 2.96Å; N99-L102 PolarHBondContact O-N 3.47Å; N99-L102 VanDerWaalsContact O-N 3.09Å; N99-L102 PolarHBondContact OD1-N 2.85Å; I100-L102 VanDerWaalsContact C-N 3.31Å; I100-L102 PolarHBondContact O-N 2.94Å; L102-N104 PolarHBondContact O-N 3.36Å; L102-L105 PolarHBondContact O-N 2.88Å; L102-V106 HydrophobicContact CD1-CG2 4.31Å; L102-V106 HydrophobicContact CG-CG2 4.44Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.42Å; L102-V106 PolarHBondContact O-N 3.42Å; L102-I123 HydrophobicContact CD1-CD1 4.44Å; L102-I123 HydrophobicContact CD1-CG1 4.3Å
103A91.1Very high90.3Very high24 Ų2462.4 Ų62.420%0.19833%0.329CS..Hα-helixtrans-56.9-49.1175.200000111.6N99 I100 L105 V106 E107N99-A103 PolarHBondContact O-N 3.26Å; I100-A103 WeakPolarHBondContact O-CB 3.3Å; I100-A103 PolarHBondContact O-N 3.28Å; A103-L105 VanDerWaalsContact C-N 3.35Å; A103-L105 PolarHBondContact O-N 2.8Å; A103-V106 WeakPolarHBondContact O-CB 3.39Å; A103-V106 PolarHBondContact O-N 2.94Å; A103-V106 VanDerWaalsContact O-N 3.13Å; A103-E107 WeakPolarHBondContact O-CG 3.46Å; A103-E107 PolarHBondContact O-N 3.45Å
104N88Confident90.3Very high10 Ų1061.5 Ų61.55%0.05332%0.316CS..Hα-helixtrans-60.7-43178.6-63.9-6.3000111.7I100 L102 V106 E107 Q108 R237I100-N104 PolarHBondContact O-N 3Å; I100-N104 PolarHBondContact O-OD1 3.49Å; L102-N104 PolarHBondContact O-N 3.36Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 3.35Å; N104-E107 PolarHBondContact O-N 3.38Å; N104-Q108 VanDerWaalsContact O-CG 3.29Å; N104-Q108 WeakPolarHBondContact O-CG 3.14Å; N104-Q108 PolarHBondContact O-N 2.77Å; N104-R237 PolarHBondContact OD1-NH1 3.33Å
105L91.8Very high90.3Very high23 Ų2362.5 Ų62.512%0.1232%0.321CS..Hα-helixtrans-64.7-37.6176.1-76.4172.5000112.3M84 I85 A88 N101 L102 A103 E107 Q108 C109M84-L105 HydrophobicContact CB-CD1 4.02Å; M84-L105 HydrophobicContact CB-CD2 3.94Å; M84-L105 HydrophobicContact CE-CD2 4.49Å; M84-L105 WeakPolarHBondContact O-CD1 3.34Å; M84-L105 HydrophobicContact SD-CD2 4.31Å; I85-L105 HydrophobicContact CG1-CB 4.5Å; A88-L105 HydrophobicContact CB-CD1 3.69Å; N101-L105 WeakPolarHBondContact O-CG 3.36Å; N101-L105 PolarHBondContact O-N 3.46Å; N101-L105 VanDerWaalsContact O-N 3.1Å; L102-L105 PolarHBondContact O-N 2.88Å; A103-L105 VanDerWaalsContact C-N 3.35Å; A103-L105 PolarHBondContact O-N 2.8Å; L105-E107 VanDerWaalsContact C-N 3.35Å; L105-Q108 PolarHBondContact O-N 2.95Å; L105-C109 WeakPolarHBondContact O-CB 3.46Å; L105-C109 PolarHBondContact O-N 3.42Å; L105-C109 PolarHBondContact O-SG 3.47Å
106V92.9Very high90.4Very high12 Ų1266.3 Ų66.37%0.07334%0.335CS..Hα-helixtrans-65.5-40175.6170.10000110.7L102 A103 N104 C109 R110 I119 I123L102-V106 HydrophobicContact CD1-CG2 4.31Å; L102-V106 HydrophobicContact CG-CG2 4.44Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.42Å; L102-V106 PolarHBondContact O-N 3.42Å; A103-V106 WeakPolarHBondContact O-CB 3.39Å; A103-V106 PolarHBondContact O-N 2.94Å; A103-V106 VanDerWaalsContact O-N 3.13Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 3.35Å; V106-C109 PolarHBondContact O-N 3.48Å; V106-R110 WeakPolarHBondContact O-CG 3.38Å; V106-R110 PolarHBondContact O-N 3Å; V106-R110 VanDerWaalsContact O-N 3.09Å; V106-I119 HydrophobicContact CG1-CG2 4.42Å; V106-I119 HydrophobicContact CG2-CG2 3.88Å; V106-I123 HydrophobicContact CG2-CD1 4.4Å
107E90Very high90.6Very high91 Ų9167.7 Ų67.743%0.42535%0.35SS..Hα-helixtrans-61.9-46.6173.4-72.4172.6178.900111.4A103 N104 L105 C109 R110 S111 R237A103-E107 WeakPolarHBondContact O-CG 3.46Å; A103-E107 PolarHBondContact O-N 3.45Å; N104-E107 PolarHBondContact O-N 3.38Å; L105-E107 VanDerWaalsContact C-N 3.35Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 2.93Å; E107-R110 WeakPolarHBondContact O-CB 3.43Å; E107-R110 PolarHBondContact O-N 2.91Å; E107-S111 PolarHBondContact O-N 3.38Å; E107-R237 IonicContact OE2-NH2 3.37Å; E107-R237 PolarHBondContact OE2-NH2 3.15Å; E107-R237 VanDerWaalsContact OE2-NH2 3.1Å
108Q88.9Confident90.9Very high36 Ų3661.5 Ų61.517%0.16833%0.326CS..Hα-helixtrans-61.3-39.1175.1-70.1175.929.800112.9F81 N104 L105 R110 S111 K112F81-Q108 HydrophobicContact CE1-CB 4Å; N104-Q108 VanDerWaalsContact O-CG 3.29Å; N104-Q108 WeakPolarHBondContact O-CG 3.14Å; N104-Q108 PolarHBondContact O-N 2.77Å; L105-Q108 PolarHBondContact O-N 2.95Å; Q108-R110 VanDerWaalsContact C-N 3.26Å; Q108-R110 PolarHBondContact O-N 2.9Å; Q108-S111 WeakPolarHBondContact CA-OG 3.35Å; Q108-S111 PolarHBondContact O-N 3.45Å; Q108-S111 PolarHBondContact O-OG 2.84Å; Q108-K112 PolarHBondContact O-N 3.38Å; Q108-K112 VanDerWaalsContact O-N 3.07Å
109C92.3Very high91.1Very high1 Ų155 Ų551%0.00729%0.292CS..Hα-helixtrans-61.8-39.1174.5-70.50000111.1F81 L105 V106 E107 N113 I114 I119F81-C109 WeakPolarHBondContact CD1-SG 3.31Å; L105-C109 WeakPolarHBondContact O-CB 3.46Å; L105-C109 PolarHBondContact O-N 3.42Å; L105-C109 PolarHBondContact O-SG 3.47Å; V106-C109 PolarHBondContact O-N 3.48Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 2.93Å; C109-N113 PolarHBondContact O-N 2.87Å; C109-I114 HydrophobicContact CB-CB 4.09Å; C109-I114 HydrophobicContact CB-CD1 4.09Å; C109-I114 HydrophobicContact CB-CG1 4.49Å; C109-I114 VanDerWaalsContact O-CB 3.26Å; C109-I114 WeakPolarHBondContact O-CB 3.37Å; C109-I114 PolarHBondContact O-N 2.72Å; C109-I119 HydrophobicContact CB-CD1 3.46Å; C109-I119 VanDerWaalsContact CB-CD1 3.46Å; C109-I119 HydrophobicContact CB-CG1 3.88Å
110R90.5Very high91.2Very high157 Ų15757.5 Ų57.559%0.59231%0.305SS*.Hα-helixtrans-68.6-41.8178-69.2171.9-169.3178.16.7111.6V106 E107 Q108 K112 N113V106-R110 WeakPolarHBondContact O-CG 3.38Å; V106-R110 PolarHBondContact O-N 3Å; V106-R110 VanDerWaalsContact O-N 3.09Å; E107-R110 WeakPolarHBondContact O-CB 3.43Å; E107-R110 PolarHBondContact O-N 2.91Å; Q108-R110 VanDerWaalsContact C-N 3.26Å; Q108-R110 PolarHBondContact O-N 2.9Å; R110-K112 VanDerWaalsContact C-N 3.29Å; R110-K112 PolarHBondContact O-N 3.05Å; R110-N113 PolarHBondContact O-N 2.89Å
111S86.2Confident91.6Very high62 Ų6254.8 Ų54.843%0.43430%0.298SS..Hα-helixtrans-62.7-37177.166.60000111.8E107 Q108 N113E107-S111 PolarHBondContact O-N 3.38Å; Q108-S111 WeakPolarHBondContact CA-OG 3.35Å; Q108-S111 PolarHBondContact O-N 3.45Å; Q108-S111 PolarHBondContact O-OG 2.84Å; S111-N113 PolarHBondContact O-N 3.23Å
112K87.6Confident91.8Very high85 Ų8551.6 Ų51.637%0.3728%0.283SS..THydrogen-bonded Turntrans-81.316.7172.6-62-157.6-176.9-169.10114.8M77 F81 Q108 R110 I114 E218M77-K112 HydrophobicContact CE-CD 3.93Å; M77-K112 HydrophobicContact CG-CD 4.42Å; M77-K112 HydrophobicContact SD-CB 3.93Å; M77-K112 HydrophobicContact SD-CD 3.57Å; M77-K112 VanDerWaalsContact SD-CD 3.57Å; M77-K112 HydrophobicContact SD-CG 4.38Å; F81-K112 HydrophobicContact CE2-CD 3.65Å; F81-K112 HydrophobicContact CZ-CD 3.71Å; F81-K112 HydrophobicContact CZ-CG 4.43Å; Q108-K112 PolarHBondContact O-N 3.38Å; Q108-K112 VanDerWaalsContact O-N 3.07Å; R110-K112 VanDerWaalsContact C-N 3.29Å; R110-K112 PolarHBondContact O-N 3.05Å; K112-I114 HydrophobicContact CB-CG1 4.49Å; K112-I114 PolarHBondContact O-N 2.94Å; K112-E218 IonicContact NZ-OE1 2.98Å; K112-E218 PolarHBondContact NZ-OE1 2.94Å
113N89.1Confident91.9Very high118 Ų11852.6 Ų52.663%0.63129%0.288SS*.THydrogen-bonded Turntrans56.231.3177.5-63.6-68.5000114.4R74 C109 R110 S111R74-N113 PolarHBondContact NH2-O 3.48Å; C109-N113 PolarHBondContact O-N 2.87Å; R110-N113 PolarHBondContact O-N 2.89Å; S111-N113 PolarHBondContact O-N 3.23Å
114I92.3Very high92Very high14 Ų1457.7 Ų57.77%0.07231%0.306CS..  trans-73.2131.5175.7-62.4-179.5000109.4I78 F81 C109 K112 K116 I119I78-I114 HydrophobicContact CG1-CD1 4.4Å; I78-I114 HydrophobicContact CG1-CG1 4.3Å; I78-I114 HydrophobicContact CG1-CG2 4.22Å; F81-I114 HydrophobicContact CB-CD1 3.97Å; F81-I114 HydrophobicContact CD2-CD1 3.35Å; F81-I114 HydrophobicContact CE2-CD1 4Å; F81-I114 HydrophobicContact CG-CD1 3.71Å; C109-I114 HydrophobicContact CB-CB 4.09Å; C109-I114 HydrophobicContact CB-CD1 4.09Å; C109-I114 HydrophobicContact CB-CG1 4.49Å; C109-I114 VanDerWaalsContact O-CB 3.26Å; C109-I114 WeakPolarHBondContact O-CB 3.37Å; C109-I114 PolarHBondContact O-N 2.72Å; K112-I114 HydrophobicContact CB-CG1 4.49Å; K112-I114 PolarHBondContact O-N 2.94Å; I114-K116 PolarHBondContact O-N 2.94Å; I114-I119 HydrophobicContact CG2-CD1 4.49Å; I114-I119 HydrophobicContact CG2-CG1 3.95Å
115P93.3Very high92.2Very high59 Ų5962.5 Ų62.538%0.38333%0.331SS..  trans-59.9135.1179.1-23.433.6000112.3A117 S118 I119P115-A117 PolarHBondContact O-N 3.43Å; P115-A117 VanDerWaalsContact O-N 3.16Å; P115-S118 WeakPolarHBondContact O-CB 3.48Å; P115-S118 PolarHBondContact O-N 3.31Å; P115-I119 PolarHBondContact O-N 2.89Å
116K94.3Very high92.1Very high145 Ų14562.1 Ų62.163%0.6333%0.332SS*.Hα-helixtrans-52.6-39.6177.7-175178.9176.9178.90112.9I114 S118 I119 D120I114-K116 PolarHBondContact O-N 2.94Å; K116-S118 PolarHBondContact O-N 3.46Å; K116-I119 WeakPolarHBondContact O-CB 3.45Å; K116-I119 PolarHBondContact O-N 2.79Å; K116-I119 VanDerWaalsContact O-N 3.11Å; K116-D120 PolarHBondContact O-N 2.97Å
117A94.9Very high91.8Very high77 Ų7766.9 Ų66.964%0.63635%0.353SS*.Hα-helixtrans-58.2-35.4177.200000113.1P115 A121P115-A117 PolarHBondContact O-N 3.43Å; P115-A117 VanDerWaalsContact O-N 3.16Å; A117-A121 WeakPolarHBondContact O-CB 3.45Å; A117-A121 PolarHBondContact O-N 3.37Å
118S95.1Very high91.5Very high43 Ų4371 Ų7130%0.30137%0.37SS..Hα-helixtrans-71.4-38.5176.7-57.60000111.8P115 K116 A121 A122P115-S118 WeakPolarHBondContact O-CB 3.48Å; P115-S118 PolarHBondContact O-N 3.31Å; K116-S118 PolarHBondContact O-N 3.46Å; S118-A121 PolarHBondContact O-N 3.5Å; S118-A122 WeakPolarHBondContact O-CB 3.36Å; S118-A122 PolarHBondContact O-N 3.31Å
119I95.1Very high91.2Very high5 Ų571.2 Ų71.23%0.02638%0.377CS..Hα-helixtrans-64.7-51.1176.6-56.4172.2000109.8I85 V106 C109 I114 P115 K116 A121 A122 I123I85-I119 HydrophobicContact CD1-CG2 4.17Å; V106-I119 HydrophobicContact CG1-CG2 4.42Å; V106-I119 HydrophobicContact CG2-CG2 3.88Å; C109-I119 HydrophobicContact CB-CD1 3.46Å; C109-I119 VanDerWaalsContact CB-CD1 3.46Å; C109-I119 HydrophobicContact CB-CG1 3.88Å; I114-I119 HydrophobicContact CG2-CD1 4.49Å; I114-I119 HydrophobicContact CG2-CG1 3.95Å; P115-I119 PolarHBondContact O-N 2.89Å; K116-I119 WeakPolarHBondContact O-CB 3.45Å; K116-I119 PolarHBondContact O-N 2.79Å; K116-I119 VanDerWaalsContact O-N 3.11Å; I119-A121 VanDerWaalsContact C-N 3.27Å; I119-A121 PolarHBondContact O-N 3.31Å; I119-A122 WeakPolarHBondContact O-CB 2.98Å; I119-A122 PolarHBondContact O-N 3.37Å; I119-A122 VanDerWaalsContact O-N 3.09Å; I119-I123 HydrophobicContact CG2-CD1 4.15Å; I119-I123 WeakPolarHBondContact O-CG1 3.32Å; I119-I123 PolarHBondContact O-N 3.26Å
120D94.4Very high90.8Very high64 Ų6479 Ų7934%0.34241%0.411SS..Hα-helixtrans-61.7-37.6179.5-65.2-18.1000111.4K116 K124K116-D120 PolarHBondContact O-N 2.97Å; D120-K124 WeakPolarHBondContact O-CB 3.22Å; D120-K124 VanDerWaalsContact O-CG 3.3Å; D120-K124 WeakPolarHBondContact O-CG 3.45Å; D120-K124 PolarHBondContact O-N 2.55Å; D120-K124 VanDerWaalsContact O-N 3.07Å
121A94.4Very high90.3Very high41 Ų4177.1 Ų77.134%0.33942%0.419SS..Hα-helixtrans-65.8-42174.100000112A117 S118 I119 K124 N125A117-A121 WeakPolarHBondContact O-CB 3.45Å; A117-A121 PolarHBondContact O-N 3.37Å; S118-A121 PolarHBondContact O-N 3.5Å; I119-A121 VanDerWaalsContact C-N 3.27Å; I119-A121 PolarHBondContact O-N 3.31Å; A121-K124 PolarHBondContact O-N 3.31Å; A121-N125 WeakPolarHBondContact O-CB 3.18Å; A121-N125 PolarHBondContact O-N 3.04Å; A121-N125 PolarHBondContact O-ND2 3.23Å
122A94.1Very high90.4Very high17 Ų1774.5 Ų74.514%0.1440%0.401CS..Hα-helixtrans-61.6-44176.800000111.8I85 S118 I119 N125 A126I85-A122 HydrophobicContact CB-CB 4.4Å; I85-A122 HydrophobicContact CD1-CB 4.03Å; I85-A122 HydrophobicContact CG2-CB 4.08Å; S118-A122 WeakPolarHBondContact O-CB 3.36Å; S118-A122 PolarHBondContact O-N 3.31Å; I119-A122 WeakPolarHBondContact O-CB 2.98Å; I119-A122 PolarHBondContact O-N 3.37Å; I119-A122 VanDerWaalsContact O-N 3.09Å; A122-N125 PolarHBondContact O-N 3.48Å; A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 2.91Å
123I94.4Very high90.5Very high20 Ų2072.7 Ų72.710%0.10340%0.399CS..Hα-helixtrans-61.7-50.9177.1-64.3169.3000110.7I85 V89 S94 L102 V106 I119 N125 A126 E127I85-I123 HydrophobicContact CG2-CG1 3.69Å; V89-I123 HydrophobicContact CG2-CG2 4.38Å; S94-I123 WeakPolarHBondContact O-CG2 3.45Å; L102-I123 HydrophobicContact CD1-CD1 4.44Å; L102-I123 HydrophobicContact CD1-CG1 4.3Å; V106-I123 HydrophobicContact CG2-CD1 4.4Å; I119-I123 HydrophobicContact CG2-CD1 4.15Å; I119-I123 WeakPolarHBondContact O-CG1 3.32Å; I119-I123 PolarHBondContact O-N 3.26Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 2.9Å; I123-A126 WeakPolarHBondContact O-CB 3.45Å; I123-A126 PolarHBondContact O-N 3.19Å; I123-E127 PolarHBondContact O-N 3.41Å
124K93.1Very high90.7Very high132 Ų13270.5 Ų70.557%0.57439%0.385SS*.Hα-helixtrans-62.6-38178.9-72174.6-176.6177.20112.9D120 A121 A126D120-K124 WeakPolarHBondContact O-CB 3.22Å; D120-K124 VanDerWaalsContact O-CG 3.3Å; D120-K124 WeakPolarHBondContact O-CG 3.45Å; D120-K124 PolarHBondContact O-N 2.55Å; D120-K124 VanDerWaalsContact O-N 3.07Å; A121-K124 PolarHBondContact O-N 3.31Å; K124-A126 VanDerWaalsContact C-N 3.35Å
125N91.3Very high90.8Very high110 Ų11072.5 Ų72.559%0.58839%0.394SS*.Hα-helixtrans-70-35.4177.8-74-21.3000111.2A121 A122 I123 E127 K128 A129A121-N125 WeakPolarHBondContact O-CB 3.18Å; A121-N125 PolarHBondContact O-N 3.04Å; A121-N125 PolarHBondContact O-ND2 3.23Å; A122-N125 PolarHBondContact O-N 3.48Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 2.9Å; N125-E127 VanDerWaalsContact C-N 3.35Å; N125-E127 PolarHBondContact O-N 3.39Å; N125-K128 CarbonylContact O-C 3.58Å; N125-K128 PolarHBondContact O-N 3.24Å; N125-A129 WeakPolarHBondContact O-CB 3.47Å; N125-A129 PolarHBondContact O-N 2.83Å
126A90.1Very high90.8Very high16 Ų1672.7 Ų72.713%0.13239%0.391CS..Hα-helixtrans-62.7-38.717800000112.6R86 V89 A122 I123 K124 K128 A129R86-A126 HydrophobicContact CB-CB 4Å; R86-A126 HydrophobicContact CG-CB 3.99Å; V89-A126 HydrophobicContact CB-CB 3.85Å; V89-A126 HydrophobicContact CG1-CB 3.83Å; V89-A126 HydrophobicContact CG2-CB 4.06Å; A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 2.91Å; I123-A126 WeakPolarHBondContact O-CB 3.45Å; I123-A126 PolarHBondContact O-N 3.19Å; K124-A126 VanDerWaalsContact C-N 3.35Å; A126-K128 VanDerWaalsContact C-N 3.28Å; A126-K128 PolarHBondContact O-N 3.28Å; A126-A129 PolarHBondContact O-N 3.09Å
127E86.1Confident90.9Very high111 Ų11166.8 Ų66.852%0.51937%0.365SS..Hα-helixtrans-61-36175.7-67179.615400113.1V89 S94 I123 N125V89-E127 HydrophobicContact CG1-CG 4.45Å; S94-E127 WeakPolarHBondContact CB-OE1 3.35Å; S94-E127 PolarHBondContact OG-OE1 3Å; I123-E127 PolarHBondContact O-N 3.41Å; N125-E127 VanDerWaalsContact C-N 3.35Å; N125-E127 PolarHBondContact O-N 3.39Å
128K85.1Confident91Very high179 Ų17965.1 Ų65.178%0.77834%0.344SS*.THydrogen-bonded Turntrans-98.60.1-175.9-62179.8-177.3178.30113N125 A126N125-K128 CarbonylContact O-C 3.58Å; N125-K128 PolarHBondContact O-N 3.24Å; A126-K128 VanDerWaalsContact C-N 3.28Å; A126-K128 PolarHBondContact O-N 3.28Å
129A82.4Confident91Very high39 Ų3963 Ų6332%0.32233%0.33SS..PPolyproline II helixtrans-70.3148.7-172.100000111N125 A126N125-A129 WeakPolarHBondContact O-CB 3.47Å; N125-A129 PolarHBondContact O-N 2.83Å; A126-A129 PolarHBondContact O-N 3.09Å
130K82.4Confident91Very high164 Ų16467.3 Ų67.371%0.71335%0.346SS*.PPolyproline II helixtrans-56.1153.9168.8-69.4-177.7-178178.10110.5R86 A132R86-K130 PolarHBondContact NH2-O 3.31Å; K130-A132 PolarHBondContact O-N 2.93Å; K130-A132 VanDerWaalsContact O-N 3.08Å
131P81.3Confident91Very high119 Ų11964.6 Ų64.677%0.77333%0.332SS*.PPolyproline II helixtrans-57.7120.3172.624.9-33.5000109.3
132A87.1Confident90.8Very high7 Ų763 Ų636%0.05832%0.319CS..  trans-118.9141.816800000108K90 K130 L152 T153K90-A132 PolarHBondContact NZ-O 3.33Å; K130-A132 PolarHBondContact O-N 2.93Å; K130-A132 VanDerWaalsContact O-N 3.08Å; A132-L152 HydrophobicContact CB-CD1 3.89Å; A132-L152 HydrophobicContact CB-CG 4.09Å; A132-T153 CarbonylContact C-O 3.58Å; A132-T153 VanDerWaalsContact CA-O 3.29Å; A132-T153 WeakPolarHBondContact CA-O 3.27Å; A132-T153 WeakPolarHBondContact CB-O 3.4Å
133S90.3Very high90.5Very high46 Ų4664.5 Ų64.532%0.32234%0.336SS..EExtended strand (participates in β ladder)trans-102.8142.3176.742.70000109.9H135 T153S133-H135 WeakPolarHBondContact CB-NE2 3.41Å; S133-H135 PolarHBondContact OG-CD2 2.83Å; S133-H135 PolarHBondContact OG-NE2 3.02Å; S133-T153 PolarHBondContact N-O 3.2Å; S133-T153 PolarHBondContact O-N 2.88Å; S133-T153 PolarHBondContact OG-O 3.41Å
134Q93.3Very high90.3Very high73 Ų7365.2 Ų65.234%0.34135%0.347SS..EExtended strand (participates in β ladder)trans-81.4133.4168.5-67.51701800108.3I87 E91 T151 L152I87-Q134 HydrophobicContact CD1-CG 4.17Å; I87-Q134 HydrophobicContact CG1-CG 4.11Å; E91-Q134 PolarHBondContact OE1-NE2 3.1Å; Q134-T151 CarbonylContact C-O 3.54Å; Q134-T151 VanDerWaalsContact CA-O 3.24Å; Q134-T151 WeakPolarHBondContact CA-O 3.43Å; Q134-L152 HydrophobicContact CG-CD1 3.94Å
135H94.3Very high90.1Very high56 Ų5659 Ų5926%0.25932%0.32SS..EExtended strand (participates in β ladder)trans-132.2139.8173.1-64.9-74.2000109.7S133 F137 T151S133-H135 WeakPolarHBondContact CB-NE2 3.41Å; S133-H135 PolarHBondContact OG-CD2 2.83Å; S133-H135 PolarHBondContact OG-NE2 3.02Å; H135-F137 HydrophobicContact CB-CE2 4.11Å; H135-F137 HydrophobicContact CB-CZ 4.26Å; H135-T151 WeakPolarHBondContact CB-OG1 3.41Å; H135-T151 PolarHBondContact N-O 2.81Å; H135-T151 PolarHBondContact O-N 3.46Å; H135-T151 PolarHBondContact O-OG1 2.95Å
136M94.5Very high90.2Very high62 Ų6253.7 Ų53.731%0.30529%0.292SS..EExtended strand (participates in β ladder)trans-104.8118.1174-164.164.975.300108.4L148 E150 F254 W287M136-L148 HydrophobicContact CE-CD2 4.43Å; M136-L148 HydrophobicContact CE-CG 4.5Å; M136-L148 HydrophobicContact CG-CD1 3.37Å; M136-L148 HydrophobicContact CG-CD2 4.48Å; M136-L148 HydrophobicContact CG-CG 3.9Å; M136-L148 HydrophobicContact SD-CD1 3.75Å; M136-L148 HydrophobicContact SD-CD2 4.09Å; M136-L148 HydrophobicContact SD-CG 3.53Å; M136-L148 VanDerWaalsContact SD-CG 3.53Å; M136-E150 HydrophobicContact CE-CB 3.95Å; M136-E150 HydrophobicContact CE-CG 4.34Å; M136-E150 HydrophobicContact SD-CB 3.94Å; M136-F254 HydrophobicContact CE-CE2 3.7Å; M136-F254 HydrophobicContact CE-CZ 4.14Å; M136-W287 HydrophobicContact CE-CH2 4.17Å; M136-W287 HydrophobicContact CE-CZ3 3.8Å; M136-W287 HydrophobicContact SD-CZ3 3.83Å
137F95.8Very high90.4Very high21 Ų2153 Ų539%0.09229%0.286CS..EExtended strand (participates in β ladder)trans-101.8141.1173.5-62.9-75.5000110.2H135 I149 T151 N156 T159 H160 I163 L174H135-F137 HydrophobicContact CB-CE2 4.11Å; H135-F137 HydrophobicContact CB-CZ 4.26Å; F137-I149 HydrophobicContact CB-CB 4.28Å; F137-I149 PolarHBondContact N-O 3.12Å; F137-I149 PolarHBondContact O-N 2.87Å; F137-T151 HydrophobicContact CD2-CG2 3.68Å; F137-T151 HydrophobicContact CE2-CG2 3.78Å; F137-T151 WeakPolarHBondContact CE2-OG1 3.2Å; F137-N156 WeakPolarHBondContact CZ-OD1 3.49Å; F137-T159 HydrophobicContact CE2-CG2 4.1Å; F137-H160 HydrophobicContact CE1-CB 3.78Å; F137-H160 AromaticContact CE1-CD2 3.68Å; F137-H160 HydrophobicContact CZ-CB 3.9Å; F137-I163 HydrophobicContact CD2-CD1 3.44Å; F137-I163 VanDerWaalsContact CD2-CD1 3.44Å; F137-I163 HydrophobicContact CE2-CD1 3.7Å; F137-I163 HydrophobicContact CG-CD1 4.14Å; F137-L174 HydrophobicContact CB-CD2 4.47Å
138E95.8Very high90.8Very high42 Ų4247.7 Ų47.720%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-110.8134.4179.8-68.1-178.8-138.800109.1L148 L174 S175 G177 A178 R179E138-L148 HydrophobicContact CG-CD1 3.97Å; E138-L174 WeakPolarHBondContact O-CD2 3.47Å; E138-S175 CarbonylContact C-O 3.18Å; E138-S175 WeakPolarHBondContact CB-O 3.41Å; E138-S175 PolarHBondContact O-N 2.94Å; E138-S175 VanDerWaalsContact O-O 3.14Å; E138-G177 VanDerWaalsContact OE2-C 3.26Å; E138-G177 VanDerWaalsContact OE2-CA 3.27Å; E138-G177 WeakPolarHBondContact OE2-CA 3.47Å; E138-G177 PolarHBondContact OE2-N 3.24Å; E138-A178 HydrophobicContact CB-CB 3.99Å; E138-A178 HydrophobicContact CG-CB 4.46Å; E138-A178 PolarHBondContact OE2-N 3.28Å; E138-R179 HydrophobicContact CG-CB 4.01Å; E138-R179 VanDerWaalsContact OE1-CB 3.24Å; E138-R179 WeakPolarHBondContact OE1-CB 3.48Å; E138-R179 WeakPolarHBondContact OE2-CB 2.98Å; E138-R179 PolarHBondContact OE2-N 3.42Å
139A95.9Very high91.3Very high0 Ų039.2 Ų39.20%023%0.225CC..EExtended strand (participates in β ladder)trans-146.8161.9-176.300000112.3L147 I149 L167 T173 L174A139-L147 HydrophobicContact CB-CB 4.17Å; A139-L147 PolarHBondContact N-O 3.11Å; A139-L147 PolarHBondContact O-N 3.13Å; A139-I149 HydrophobicContact CB-CD1 4.29Å; A139-L167 HydrophobicContact CB-CD1 3.68Å; A139-L167 HydrophobicContact CB-CD2 3.94Å; A139-T173 CarbonylContact C-O 3.37Å; A139-T173 VanDerWaalsContact CA-O 3.29Å; A139-T173 WeakPolarHBondContact CA-O 3.49Å; A139-T173 WeakPolarHBondContact CB-O 3.41Å; A139-L174 HydrophobicContact CB-CD2 4.47Å
140R95.6Very high91.9Very high95 Ų9538.1 Ų38.136%0.35821%0.213SC..EExtended strand (participates in β ladder)trans-113.9131.6166.6-69.2-71.9-169.3161.72.4109.4G144 C145 G172 T173R140-G144 WeakPolarHBondContact CD-O 3.27Å; R140-G144 PolarHBondContact NH1-O 3.25Å; R140-C145 CarbonylContact C-O 3.5Å; R140-C145 WeakPolarHBondContact CA-O 3.48Å; R140-C145 WeakPolarHBondContact CD-O 3.5Å; R140-G172 CarbonylContact O-C 3.52Å; R140-G172 WeakPolarHBondContact O-CA 3.5Å; R140-T173 PolarHBondContact N-O 3.04Å; R140-T173 PolarHBondContact O-N 2.88Å
141G93.1Very high92.5Very high6 Ų630.3 Ų30.36%0.06218%0.179CC..  trans-94.5-170.8174.700000113.2G144 C145G141-G144 PolarHBondContact O-N 3.36Å; G141-G144 VanDerWaalsContact O-N 3.11Å; G141-C145 VanDerWaalsContact CA-SG 3.55Å; G141-C145 PolarHBondContact N-O 3.49Å
142P91.6Very high93.2Very high9 Ų925 Ų256%0.05814%0.144CC..G310 helixtrans-51.3143.5170.3-26.335.7000112.1G144 C145 R171 A269 A270P142-G144 PolarHBondContact O-N 3.3Å; P142-G144 VanDerWaalsContact O-N 3.09Å; P142-C145 PolarHBondContact O-N 3.37Å; P142-C145 PolarHBondContact O-SG 2.96Å; P142-C145 VanDerWaalsContact O-SG 3.39Å; P142-R171 HydrophobicContact CG-CB 4.48Å; P142-A269 HydrophobicContact CB-CB 4.05Å; P142-A269 HydrophobicContact CG-CB 3.91Å; P142-A270 HydrophobicContact CG-CB 4.48Å
143G87.8Confident93.5Very high48 Ų4824.8 Ų24.850%0.49514%0.142SC..G310 helixtrans64.98.6-176.200000114.9C145G143-C145 VanDerWaalsContact C-N 3.34Å
144G88.8Confident93.6Very high34 Ų3427.2 Ų27.235%0.35115%0.151SC..G310 helixtrans7815.8178.500000114.1R140 G141 P142R140-G144 WeakPolarHBondContact CD-O 3.27Å; R140-G144 PolarHBondContact NH1-O 3.25Å; G141-G144 PolarHBondContact O-N 3.36Å; G141-G144 VanDerWaalsContact O-N 3.11Å; P142-G144 PolarHBondContact O-N 3.3Å; P142-G144 VanDerWaalsContact O-N 3.09Å
145C90.4Very high93.6Very high1 Ų127.1 Ų27.11%0.00715%0.153CC..  trans-57.6144.2171.965.40000110.7R140 G141 P142 G143 S260 L262 I290R140-C145 CarbonylContact C-O 3.5Å; R140-C145 WeakPolarHBondContact CA-O 3.48Å; R140-C145 WeakPolarHBondContact CD-O 3.5Å; G141-C145 VanDerWaalsContact CA-SG 3.55Å; G141-C145 PolarHBondContact N-O 3.49Å; P142-C145 PolarHBondContact O-N 3.37Å; P142-C145 PolarHBondContact O-SG 2.96Å; P142-C145 VanDerWaalsContact O-SG 3.39Å; G143-C145 VanDerWaalsContact C-N 3.34Å; C145-S260 WeakPolarHBondContact CB-OG 3.43Å; C145-L262 HydrophobicContact CB-CD1 4.32Å; C145-I290 HydrophobicContact CB-CD1 4.24Å; C145-I290 HydrophobicContact CB-CG1 3.72Å
146A93.6Very high93.6Very high0 Ų027.4 Ų27.40%016%0.157CC..EExtended strand (participates in β ladder)trans-87.4134.2177.100000109.5A178 N181 F182 D288 N289A146-A178 HydrophobicContact CB-CB 4.21Å; A146-N181 HydrophobicContact CB-CB 4.33Å; A146-F182 HydrophobicContact CB-CE2 3.95Å; A146-F182 HydrophobicContact CB-CZ 4.31Å; A146-D288 WeakPolarHBondContact O-CA 3.2Å; A146-N289 PolarHBondContact N-OD1 3.09Å; A146-N289 PolarHBondContact O-N 3.22Å; A146-N289 PolarHBondContact O-OD1 3Å
147L93.2Very high93.6Very high1 Ų128.6 Ų28.61%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-123.9137.3177-60.5176.5000109.6A139 L167 L273 I274 L277 W287 D288A139-L147 HydrophobicContact CB-CB 4.17Å; A139-L147 PolarHBondContact N-O 3.11Å; A139-L147 PolarHBondContact O-N 3.13Å; L147-L167 HydrophobicContact CD1-CD2 4.47Å; L147-L273 HydrophobicContact CD1-CD2 3.66Å; L147-L273 HydrophobicContact CD1-CG 4.3Å; L147-I274 HydrophobicContact CD2-CD1 4.4Å; L147-I274 HydrophobicContact CD2-CG1 4.24Å; L147-L277 HydrophobicContact CD1-CD1 4.14Å; L147-W287 CarbonylContact C-O 3.55Å; L147-W287 WeakPolarHBondContact CA-O 3.1Å; L147-D288 HydrophobicContact CD2-CB 3.44Å; L147-D288 VanDerWaalsContact CD2-CB 3.44Å
148L94.8Very high93.6Very high0 Ų032.1 Ų32.10%018%0.18CC..EExtended strand (participates in β ladder)trans-120.2121.7172.9-170.668.7000107.9M136 E138 R179 F182 F254 V286 W287M136-L148 HydrophobicContact CE-CD2 4.43Å; M136-L148 HydrophobicContact CE-CG 4.5Å; M136-L148 HydrophobicContact CG-CD1 3.37Å; M136-L148 HydrophobicContact CG-CD2 4.48Å; M136-L148 HydrophobicContact CG-CG 3.9Å; M136-L148 HydrophobicContact SD-CD1 3.75Å; M136-L148 HydrophobicContact SD-CD2 4.09Å; M136-L148 HydrophobicContact SD-CG 3.53Å; M136-L148 VanDerWaalsContact SD-CG 3.53Å; E138-L148 HydrophobicContact CG-CD1 3.97Å; L148-R179 HydrophobicContact CD1-CB 4.26Å; L148-F182 HydrophobicContact CB-CD2 4Å; L148-F182 HydrophobicContact CB-CE2 3.88Å; L148-F182 HydrophobicContact CB-CG 4.41Å; L148-F182 HydrophobicContact CB-CZ 4.18Å; L148-F182 HydrophobicContact CD2-CB 4.16Å; L148-F182 HydrophobicContact CD2-CD2 4.29Å; L148-F182 HydrophobicContact CD2-CG 4.15Å; L148-F254 HydrophobicContact CD2-CB 4.08Å; L148-F254 HydrophobicContact CD2-CD1 3.72Å; L148-F254 HydrophobicContact CD2-CD2 3.75Å; L148-F254 HydrophobicContact CD2-CE1 4.05Å; L148-F254 HydrophobicContact CD2-CE2 4.08Å; L148-F254 HydrophobicContact CD2-CG 3.56Å; L148-F254 HydrophobicContact CD2-CZ 4.22Å; L148-V286 CarbonylContact O-C 3.59Å; L148-V286 WeakPolarHBondContact O-CA 3.24Å; L148-W287 HydrophobicContact CB-CB 4.29Å; L148-W287 HydrophobicContact CB-CE3 4.02Å; L148-W287 HydrophobicContact CD2-CE3 3.88Å; L148-W287 HydrophobicContact CD2-CZ3 4.29Å; L148-W287 HydrophobicContact CG-CE3 3.92Å; L148-W287 HydrophobicContact CG-CZ3 4.33Å; L148-W287 PolarHBondContact N-O 2.83Å; L148-W287 PolarHBondContact O-N 2.93Å
149I95.7Very high93.6Very high0 Ų030.2 Ų30.20%017%0.172CC..EExtended strand (participates in β ladder)trans-119.8108.4-171.1-54.2163.8000108.4F137 A139 T151 I163 L277 V283 V286F137-I149 HydrophobicContact CB-CB 4.28Å; F137-I149 PolarHBondContact N-O 3.12Å; F137-I149 PolarHBondContact O-N 2.87Å; A139-I149 HydrophobicContact CB-CD1 4.29Å; I149-T151 HydrophobicContact CG2-CG2 4Å; I149-I163 HydrophobicContact CD1-CG2 3.98Å; I149-I163 HydrophobicContact CG2-CD1 4.24Å; I149-L277 HydrophobicContact CD1-CD1 3.8Å; I149-L277 HydrophobicContact CD1-CD2 3.96Å; I149-L277 HydrophobicContact CG1-CD1 4.3Å; I149-V283 HydrophobicContact CG2-CG1 3.98Å; I149-V283 HydrophobicContact CG2-CG2 3.87Å; I149-V286 HydrophobicContact CG1-CG1 4.37Å; I149-V286 HydrophobicContact CG2-CG2 4.42Å
150E94.7Very high93.7Very high16 Ų1633.6 Ų33.68%0.07519%0.187CC..EExtended strand (participates in β ladder)trans-83.9129.9172.7178.1178.5-140.100109.6M136 V284 R285 W287M136-E150 HydrophobicContact CE-CB 3.95Å; M136-E150 HydrophobicContact CE-CG 4.34Å; M136-E150 HydrophobicContact SD-CB 3.94Å; E150-V284 HydrophobicContact CG-CB 4.14Å; E150-V284 PolarHBondContact O-N 3.31Å; E150-R285 HydrophobicContact CB-CB 4.45Å; E150-R285 PolarHBondContact N-O 2.81Å; E150-R285 PolarHBondContact O-N 3.11Å; E150-R285 IonicContact OE1-NH2 3.69Å; E150-R285 PolarHBondContact OE1-NH2 3.11Å; E150-R285 IonicContact OE2-CZ 2.72Å; E150-R285 VanDerWaalsContact OE2-CZ 3.23Å; E150-R285 IonicContact OE2-NE 3.52Å; E150-R285 PolarHBondContact OE2-NE 2.91Å; E150-R285 IonicContact OE2-NH2 3.1Å; E150-R285 PolarHBondContact OE2-NH2 2.86Å; E150-W287 HydrophobicContact CB-CH2 3.53Å; E150-W287 HydrophobicContact CB-CZ3 3.45Å; E150-W287 VanDerWaalsContact CB-CZ3 3.45Å; E150-W287 HydrophobicContact CG-CH2 4.28Å; E150-W287 VanDerWaalsContact OE2-CH2 3.28Å; E150-W287 WeakPolarHBondContact OE2-CH2 3.41Å
151T95.9Very high93.7Very high0 Ų033.3 Ų33.30%019%0.19CC..EExtended strand (participates in β ladder)trans-128.7150-179.960.80000111.4Q134 H135 F137 I149 T159 I163 D282 V283Q134-T151 CarbonylContact C-O 3.54Å; Q134-T151 VanDerWaalsContact CA-O 3.24Å; Q134-T151 WeakPolarHBondContact CA-O 3.43Å; H135-T151 WeakPolarHBondContact CB-OG1 3.41Å; H135-T151 PolarHBondContact N-O 2.81Å; H135-T151 PolarHBondContact O-N 3.46Å; H135-T151 PolarHBondContact O-OG1 2.95Å; F137-T151 HydrophobicContact CD2-CG2 3.68Å; F137-T151 HydrophobicContact CE2-CG2 3.78Å; F137-T151 WeakPolarHBondContact CE2-OG1 3.2Å; I149-T151 HydrophobicContact CG2-CG2 4Å; T151-T159 HydrophobicContact CG2-CG2 4.05Å; T151-I163 HydrophobicContact CG2-CD1 3.77Å; T151-D282 CarbonylContact C-O 3.55Å; T151-D282 WeakPolarHBondContact CA-O 3.45Å; T151-D282 VanDerWaalsContact CB-O 3.27Å; T151-D282 WeakPolarHBondContact CB-O 3.5Å; T151-V283 HydrophobicContact CG2-CG2 4.04Å
152L94.6Very high93.9Very high9 Ų936.3 Ų36.35%0.04720%0.202CC..EExtended strand (participates in β ladder)trans-126.3104.9171.4-179.470.4000108.2M83 R86 I87 A132 Q134 D282 V284M83-L152 HydrophobicContact CB-CD2 4.2Å; M83-L152 HydrophobicContact CG-CD2 4.45Å; R86-L152 HydrophobicContact CB-CD2 4.27Å; R86-L152 HydrophobicContact CG-CD2 4.16Å; I87-L152 HydrophobicContact CD1-CB 4.37Å; I87-L152 HydrophobicContact CD1-CD1 4.48Å; I87-L152 HydrophobicContact CD1-CD2 4.34Å; I87-L152 HydrophobicContact CG1-CD1 4Å; I87-L152 HydrophobicContact CG1-CD2 3.95Å; I87-L152 HydrophobicContact CG1-CG 4.43Å; A132-L152 HydrophobicContact CB-CD1 3.89Å; A132-L152 HydrophobicContact CB-CG 4.09Å; Q134-L152 HydrophobicContact CG-CD1 3.94Å; L152-D282 PolarHBondContact N-O 3.41Å; L152-V284 HydrophobicContact CB-CG2 3.65Å
153T93.7Very high94.1Very high2 Ų235.9 Ų35.91%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-136.7153-172.1-177.90000112.2A132 S133 N155 R158 T159 D282A132-T153 CarbonylContact C-O 3.58Å; A132-T153 VanDerWaalsContact CA-O 3.29Å; A132-T153 WeakPolarHBondContact CA-O 3.27Å; A132-T153 WeakPolarHBondContact CB-O 3.4Å; S133-T153 PolarHBondContact N-O 3.2Å; S133-T153 PolarHBondContact O-N 2.88Å; S133-T153 PolarHBondContact OG-O 3.41Å; T153-N155 PolarHBondContact OG1-N 3.18Å; T153-N155 PolarHBondContact OG1-O 3.31Å; T153-R158 PolarHBondContact OG1-NH2 2.86Å; T153-T159 VanDerWaalsContact CB-OG1 3.24Å; T153-T159 WeakPolarHBondContact CB-OG1 3.39Å; T153-T159 HydrophobicContact CG2-CG2 4.44Å; T153-T159 WeakPolarHBondContact CG2-OG1 3.37Å; T153-T159 PolarHBondContact OG1-OG1 3.43Å; T153-D282 PolarHBondContact OG1-OD2 2.97Å
154D91.8Very high94.5Very high96 Ų9639 Ų3951%0.51320%0.2SC..SBendtrans-85.1-16.9168.463.7-20.1000112.4R158D154-R158 IonicContact OD1-CZ 3.62Å; D154-R158 IonicContact OD1-NH1 2.93Å; D154-R158 PolarHBondContact OD1-NH1 3.22Å; D154-R158 IonicContact OD1-NH2 2.8Å; D154-R158 PolarHBondContact OD1-NH2 3.39Å
155N93.7Very high94.9Very high72 Ų7245.8 Ų45.839%0.38521%0.214SC..  trans-140.694.1-177.7-173.6-24.2000111.3T153 T157 R158 T159T153-N155 PolarHBondContact OG1-N 3.18Å; T153-N155 PolarHBondContact OG1-O 3.31Å; N155-T157 VanDerWaalsContact C-N 3.29Å; N155-T157 PolarHBondContact O-N 2.94Å; N155-T157 PolarHBondContact OD1-N 3.3Å; N155-T157 VanDerWaalsContact OD1-N 3.14Å; N155-R158 HydrophobicContact CB-CB 4.07Å; N155-R158 PolarHBondContact O-N 3.44Å; N155-R158 PolarHBondContact OD1-N 2.91Å; N155-T159 PolarHBondContact O-N 2.77Å; N155-T159 PolarHBondContact O-OG1 2.9Å; N155-T159 VanDerWaalsContact O-OG1 3.11Å
156N94.8Very high95.2Very high62 Ų6247 Ų4733%0.33222%0.221SC..Hα-helixtrans-55.3-40.5178.9-171.833.8000113.2F137 R158 T159 H160F137-N156 WeakPolarHBondContact CZ-OD1 3.49Å; N156-R158 PolarHBondContact O-N 2.8Å; N156-T159 PolarHBondContact O-N 3.35Å; N156-H160 WeakPolarHBondContact O-CB 3.46Å; N156-H160 PolarHBondContact O-N 3.01Å
157T95.4Very high95.3Very high87 Ų8747 Ų4753%0.53422%0.221SC..Hα-helixtrans-66.8-39.5-177.4-52.60000112N155 Q161N155-T157 VanDerWaalsContact C-N 3.29Å; N155-T157 PolarHBondContact O-N 2.94Å; N155-T157 PolarHBondContact OD1-N 3.3Å; N155-T157 VanDerWaalsContact OD1-N 3.14Å; T157-Q161 VanDerWaalsContact O-CG 3.29Å; T157-Q161 WeakPolarHBondContact O-CG 3.3Å; T157-Q161 PolarHBondContact O-N 2.97Å; T157-Q161 VanDerWaalsContact O-N 3.16Å
158R95.2Very high95.5Very high95 Ų9551.6 Ų51.636%0.35825%0.249SC..Hα-helixtrans-60.7-54.9174.2179.9-168.472.1-136.2-3.5110.1T153 D154 N155 N156 H160 Q161 E162 D282T153-R158 PolarHBondContact OG1-NH2 2.86Å; D154-R158 IonicContact OD1-CZ 3.62Å; D154-R158 IonicContact OD1-NH1 2.93Å; D154-R158 PolarHBondContact OD1-NH1 3.22Å; D154-R158 IonicContact OD1-NH2 2.8Å; D154-R158 PolarHBondContact OD1-NH2 3.39Å; N155-R158 HydrophobicContact CB-CB 4.07Å; N155-R158 PolarHBondContact O-N 3.44Å; N155-R158 PolarHBondContact OD1-N 2.91Å; N156-R158 PolarHBondContact O-N 2.8Å; R158-H160 PolarHBondContact O-N 2.8Å; R158-Q161 PolarHBondContact O-N 3.34Å; R158-E162 PolarHBondContact O-N 3.04Å; R158-D282 IonicContact CZ-OD2 2.89Å; R158-D282 IonicContact NE-OD2 2.7Å; R158-D282 IonicContact NH2-OD1 3.49Å; R158-D282 PolarHBondContact NH2-OD1 3.28Å; R158-D282 VanDerWaalsContact NH2-OD1 3.1Å; R158-D282 IonicContact NH2-OD2 3.23Å; R158-D282 PolarHBondContact NH2-OD2 2.93Å
159T96.1Very high95.5Very high2 Ų260.2 Ų60.21%0.01229%0.287CS..Hα-helixtrans-61.9-44-176-49.60000111.6F137 T151 T153 N155 N156 Q161 E162 I163 D282F137-T159 HydrophobicContact CE2-CG2 4.1Å; T151-T159 HydrophobicContact CG2-CG2 4.05Å; T153-T159 VanDerWaalsContact CB-OG1 3.24Å; T153-T159 WeakPolarHBondContact CB-OG1 3.39Å; T153-T159 HydrophobicContact CG2-CG2 4.44Å; T153-T159 WeakPolarHBondContact CG2-OG1 3.37Å; T153-T159 PolarHBondContact OG1-OG1 3.43Å; N155-T159 PolarHBondContact O-N 2.77Å; N155-T159 PolarHBondContact O-OG1 2.9Å; N155-T159 VanDerWaalsContact O-OG1 3.11Å; N156-T159 PolarHBondContact O-N 3.35Å; T159-Q161 PolarHBondContact O-N 2.83Å; T159-E162 PolarHBondContact O-N 2.88Å; T159-I163 HydrophobicContact CG2-CD1 3.85Å; T159-I163 HydrophobicContact CG2-CG1 4.46Å; T159-I163 WeakPolarHBondContact O-CG1 3.47Å; T159-I163 PolarHBondContact O-N 3.48Å; T159-D282 HydrophobicContact CG2-CB 3.59Å; T159-D282 PolarHBondContact OG1-OD2 3.01Å
160H96.6Very high95.5Very high71 Ų7163.2 Ų63.233%0.32930%0.3SS..Hα-helixtrans-58.8-44.1175.7172.9-95.1000112.3F137 N156 R158 E162 K164 L174F137-H160 HydrophobicContact CE1-CB 3.78Å; F137-H160 AromaticContact CE1-CD2 3.68Å; F137-H160 HydrophobicContact CZ-CB 3.9Å; N156-H160 WeakPolarHBondContact O-CB 3.46Å; N156-H160 PolarHBondContact O-N 3.01Å; R158-H160 PolarHBondContact O-N 2.8Å; H160-E162 VanDerWaalsContact C-N 3.35Å; H160-K164 VanDerWaalsContact O-CB 3.24Å; H160-K164 WeakPolarHBondContact O-CB 3.37Å; H160-K164 PolarHBondContact O-N 3.01Å; H160-L174 WeakPolarHBondContact NE2-CD1 3.31Å
161Q96.8Very high95.3Very high89 Ų8971.4 Ų71.442%0.41633%0.33SS..Hα-helixtrans-66.4-37.8177.6-72.9178.811.600112.3T157 R158 T159 R165T157-Q161 VanDerWaalsContact O-CG 3.29Å; T157-Q161 WeakPolarHBondContact O-CG 3.3Å; T157-Q161 PolarHBondContact O-N 2.97Å; T157-Q161 VanDerWaalsContact O-N 3.16Å; R158-Q161 PolarHBondContact O-N 3.34Å; T159-Q161 PolarHBondContact O-N 2.83Å; Q161-R165 WeakPolarHBondContact O-CB 3.29Å; Q161-R165 WeakPolarHBondContact O-CG 3.44Å; Q161-R165 PolarHBondContact O-N 3.26Å
162E96.6Very high95.2Very high69 Ų6971.6 Ų71.632%0.32233%0.332SS..Hα-helixtrans-65.8-49.9177.8-173.5164.9-157.400111.6R158 T159 H160 K164 R165 L166 L280R158-E162 PolarHBondContact O-N 3.04Å; T159-E162 PolarHBondContact O-N 2.88Å; H160-E162 VanDerWaalsContact C-N 3.35Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.02Å; E162-R165 PolarHBondContact O-N 3.35Å; E162-L166 WeakPolarHBondContact O-CB 3.36Å; E162-L166 PolarHBondContact O-N 2.79Å; E162-L280 HydrophobicContact CG-CD1 4.33Å; E162-L280 HydrophobicContact CG-CD2 3.82Å; E162-L280 WeakPolarHBondContact OE1-CD2 3.37Å
163I96.9Very high95.3Very high0 Ų075.2 Ų75.20%035%0.354CS..Hα-helixtrans-57.7-47.4174.8-69.5170.6000110.5F137 I149 T151 T159 R165 L166 L167 L174 L277 L280 V283F137-I163 HydrophobicContact CD2-CD1 3.44Å; F137-I163 VanDerWaalsContact CD2-CD1 3.44Å; F137-I163 HydrophobicContact CE2-CD1 3.7Å; F137-I163 HydrophobicContact CG-CD1 4.14Å; I149-I163 HydrophobicContact CD1-CG2 3.98Å; I149-I163 HydrophobicContact CG2-CD1 4.24Å; T151-I163 HydrophobicContact CG2-CD1 3.77Å; T159-I163 HydrophobicContact CG2-CD1 3.85Å; T159-I163 HydrophobicContact CG2-CG1 4.46Å; T159-I163 WeakPolarHBondContact O-CG1 3.47Å; T159-I163 PolarHBondContact O-N 3.48Å; I163-R165 VanDerWaalsContact C-N 3.35Å; I163-R165 PolarHBondContact O-N 3.35Å; I163-L166 PolarHBondContact O-N 3.48Å; I163-L167 HydrophobicContact CG2-CD1 3.67Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 3.44Å; I163-L167 WeakPolarHBondContact O-CG 3.42Å; I163-L167 PolarHBondContact O-N 3.08Å; I163-L174 HydrophobicContact CG2-CD2 4.2Å; I163-L277 HydrophobicContact CG2-CD2 4.32Å; I163-L280 HydrophobicContact CG1-CD1 3.86Å; I163-V283 HydrophobicContact CD1-CG2 4.5Å
164K96.4Very high95.4Very high114 Ų11477.6 Ų77.650%0.49637%0.367SS..Hα-helixtrans-58.2-44.9178.3-175.1174.6-179.7172.50112.4H160 E162 T168 L174H160-K164 VanDerWaalsContact O-CB 3.24Å; H160-K164 WeakPolarHBondContact O-CB 3.37Å; H160-K164 PolarHBondContact O-N 3.01Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.02Å; K164-T168 WeakPolarHBondContact O-CB 3.17Å; K164-T168 PolarHBondContact O-N 3.49Å; K164-T168 PolarHBondContact O-OG1 2.93Å; K164-L174 HydrophobicContact CB-CD1 3.8Å; K164-L174 HydrophobicContact CD-CD1 4.25Å; K164-L174 HydrophobicContact CG-CD1 4.06Å
165R96.5Very high95.4Very high175 Ų17574.2 Ų74.266%0.6635%0.351SS*.Hα-helixtrans-63.6-42.4178.2-74.5170-169.9169.77.4111.2Q161 E162 I163 T168 K169Q161-R165 WeakPolarHBondContact O-CB 3.29Å; Q161-R165 WeakPolarHBondContact O-CG 3.44Å; Q161-R165 PolarHBondContact O-N 3.26Å; E162-R165 PolarHBondContact O-N 3.35Å; I163-R165 VanDerWaalsContact C-N 3.35Å; I163-R165 PolarHBondContact O-N 3.35Å; R165-T168 PolarHBondContact O-N 3.08Å; R165-K169 WeakPolarHBondContact O-CB 3.44Å; R165-K169 PolarHBondContact O-N 2.96Å
166L96.8Very high95.1Very high28 Ų2879 Ų7915%0.14738%0.376CS..Hα-helixtrans-65.5-48.4179.8-168.1154.8000111.4E162 I163 T168 K169 K170 L273 A276 L277 L280E162-L166 WeakPolarHBondContact O-CB 3.36Å; E162-L166 PolarHBondContact O-N 2.79Å; I163-L166 PolarHBondContact O-N 3.48Å; L166-T168 VanDerWaalsContact C-N 3.34Å; L166-T168 PolarHBondContact O-N 3.34Å; L166-K169 WeakPolarHBondContact O-CB 3.47Å; L166-K169 PolarHBondContact O-N 3.12Å; L166-K169 VanDerWaalsContact O-N 3.16Å; L166-K170 HydrophobicContact CD2-CG 4.4Å; L166-K170 PolarHBondContact O-N 3.31Å; L166-K170 VanDerWaalsContact O-N 3.08Å; L166-L273 HydrophobicContact CD2-CD1 3.5Å; L166-A276 HydrophobicContact CD1-CB 4.03Å; L166-A276 VanDerWaalsContact CD1-O 3.3Å; L166-A276 WeakPolarHBondContact CD1-O 3.24Å; L166-A276 HydrophobicContact CD2-CB 3.94Å; L166-A276 HydrophobicContact CG-CB 4.3Å; L166-L277 HydrophobicContact CD2-CD2 3.79Å; L166-L277 HydrophobicContact CD2-CG 3.85Å; L166-L280 HydrophobicContact CD1-CD1 3.94Å; L166-L280 HydrophobicContact CD1-CD2 3.94Å; L166-L280 HydrophobicContact CD1-CG 3.92Å
167L96.3Very high94.7Very high0 Ų077.3 Ų77.30%037%0.373CS..Hα-helixtrans-53.6-51173.9-74.8167.3000110.9A139 L147 I163 K169 K170 R171 G172 L174 L273 L277A139-L167 HydrophobicContact CB-CD1 3.68Å; A139-L167 HydrophobicContact CB-CD2 3.94Å; L147-L167 HydrophobicContact CD1-CD2 4.47Å; I163-L167 HydrophobicContact CG2-CD1 3.67Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 3.44Å; I163-L167 WeakPolarHBondContact O-CG 3.42Å; I163-L167 PolarHBondContact O-N 3.08Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.96Å; L167-K170 CarbonylContact O-C 3.44Å; L167-K170 PolarHBondContact O-N 3.25Å; L167-R171 PolarHBondContact O-N 3.11Å; L167-R171 VanDerWaalsContact O-N 3.15Å; L167-G172 CarbonylContact C-O 3.54Å; L167-G172 WeakPolarHBondContact O-CA 3.47Å; L167-G172 PolarHBondContact O-N 3.1Å; L167-G172 VanDerWaalsContact O-O 3.11Å; L167-L174 HydrophobicContact CD1-CD2 3.75Å; L167-L174 HydrophobicContact CD1-CG 3.85Å; L167-L273 HydrophobicContact CD2-CD1 3.92Å; L167-L273 HydrophobicContact CD2-CD2 4.04Å; L167-L277 HydrophobicContact CD2-CD1 4.46Å
168T95.6Very high94.3Very high97 Ų9773.1 Ų73.160%0.59535%0.348SS*.Hα-helixtrans-58.7-40.3-179.9-53.10000112K164 R165 L166 K170 G172K164-T168 WeakPolarHBondContact O-CB 3.17Å; K164-T168 PolarHBondContact O-N 3.49Å; K164-T168 PolarHBondContact O-OG1 2.93Å; R165-T168 PolarHBondContact O-N 3.08Å; L166-T168 VanDerWaalsContact C-N 3.34Å; L166-T168 PolarHBondContact O-N 3.34Å; T168-K170 VanDerWaalsContact C-N 3.28Å; T168-K170 PolarHBondContact O-N 3.18Å; T168-G172 PolarHBondContact N-O 2.85Å
169K95.6Very high94Very high181 Ų18174.8 Ų74.879%0.78735%0.354SS*.Hα-helixtrans-66.4-30178.1-174.5-179.9178.2-175.10112.7R165 L166 L167R165-K169 WeakPolarHBondContact O-CB 3.44Å; R165-K169 PolarHBondContact O-N 2.96Å; L166-K169 WeakPolarHBondContact O-CB 3.47Å; L166-K169 PolarHBondContact O-N 3.12Å; L166-K169 VanDerWaalsContact O-N 3.16Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.96Å
170K94.6Very high93.7Very high62 Ų6281.4 Ų81.427%0.2739%0.385SS..THydrogen-bonded Turntrans-108.124.9-174.3-70-78.2-172.8165.90112.8L166 L167 T168 G172 S272 L273L166-K170 HydrophobicContact CD2-CG 4.4Å; L166-K170 PolarHBondContact O-N 3.31Å; L166-K170 VanDerWaalsContact O-N 3.08Å; L167-K170 CarbonylContact O-C 3.44Å; L167-K170 PolarHBondContact O-N 3.25Å; T168-K170 VanDerWaalsContact C-N 3.28Å; T168-K170 PolarHBondContact O-N 3.18Å; K170-G172 VanDerWaalsContact C-N 3.27Å; K170-G172 PolarHBondContact O-N 3.02Å; K170-S272 PolarHBondContact NZ-O 3.46Å; K170-S272 PolarHBondContact NZ-OG 2.97Å; K170-L273 HydrophobicContact CB-CB 4.02Å; K170-L273 HydrophobicContact CB-CD1 3.64Å; K170-L273 HydrophobicContact CB-CG 4.32Å; K170-L273 HydrophobicContact CG-CD1 4.23Å
171R92.1Very high93.3Very high188 Ų18879.1 Ų79.171%0.70938%0.375SS*.THydrogen-bonded Turntrans60.130177.2-53.3-179.2177.7-177.11.8114.5P142 L167 E265P142-R171 HydrophobicContact CG-CB 4.48Å; L167-R171 PolarHBondContact O-N 3.11Å; L167-R171 VanDerWaalsContact O-N 3.15Å; R171-E265 IonicContact NH1-OE1 3.9Å
172G94.3Very high93.1Very high4 Ų475.3 Ų75.34%0.04136%0.357CS..  trans-112.1170.5169.100000112.6R140 L167 T168 K170R140-G172 CarbonylContact O-C 3.52Å; R140-G172 WeakPolarHBondContact O-CA 3.5Å; L167-G172 CarbonylContact C-O 3.54Å; L167-G172 WeakPolarHBondContact O-CA 3.47Å; L167-G172 PolarHBondContact O-N 3.1Å; L167-G172 VanDerWaalsContact O-O 3.11Å; T168-G172 PolarHBondContact N-O 2.85Å; K170-G172 VanDerWaalsContact C-N 3.27Å; K170-G172 PolarHBondContact O-N 3.02Å
173T95.9Very high92.9Very high85 Ų8575 Ų7552%0.52136%0.357SS..EExtended strand (participates in β ladder)trans-141.1151.317853.90000110.9A139 R140A139-T173 CarbonylContact C-O 3.37Å; A139-T173 VanDerWaalsContact CA-O 3.29Å; A139-T173 WeakPolarHBondContact CA-O 3.49Å; A139-T173 WeakPolarHBondContact CB-O 3.41Å; R140-T173 PolarHBondContact N-O 3.04Å; R140-T173 PolarHBondContact O-N 2.88Å
174L95.4Very high92.6Very high53 Ų5379.3 Ų79.328%0.27738%0.377SS..EExtended strand (participates in β ladder)trans-68.9141165.5-75169.9000108.8F137 E138 A139 H160 I163 K164 L167F137-L174 HydrophobicContact CB-CD2 4.47Å; E138-L174 WeakPolarHBondContact O-CD2 3.47Å; A139-L174 HydrophobicContact CB-CD2 4.47Å; H160-L174 WeakPolarHBondContact NE2-CD1 3.31Å; I163-L174 HydrophobicContact CG2-CD2 4.2Å; K164-L174 HydrophobicContact CB-CD1 3.8Å; K164-L174 HydrophobicContact CD-CD1 4.25Å; K164-L174 HydrophobicContact CG-CD1 4.06Å; L167-L174 HydrophobicContact CD1-CD2 3.75Å; L167-L174 HydrophobicContact CD1-CG 3.85Å
175S92.3Very high92.5Very high25 Ų2575 Ų7518%0.17536%0.359CS..  trans-144.2137.4-178.368.90000110.6E138E138-S175 CarbonylContact C-O 3.18Å; E138-S175 WeakPolarHBondContact CB-O 3.41Å; E138-S175 PolarHBondContact O-N 2.94Å; E138-S175 VanDerWaalsContact O-O 3.14Å
176D86.7Confident92.3Very high171 Ų17166.6 Ų66.691%0.91433%0.327SS*.THydrogen-bonded Turntrans-83.4132.6167.3-59.7-39.5000109.4
177G86.3Confident92Very high27 Ų2765.4 Ų65.428%0.27832%0.321SS..THydrogen-bonded Turntrans102.81.5174.100000116E138 R179 H180E138-G177 VanDerWaalsContact OE2-C 3.26Å; E138-G177 VanDerWaalsContact OE2-CA 3.27Å; E138-G177 WeakPolarHBondContact OE2-CA 3.47Å; E138-G177 PolarHBondContact OE2-N 3.24Å; G177-R179 PolarHBondContact O-N 3.49Å; G177-H180 PolarHBondContact O-N 2.66Å; G177-H180 PolarHBondContact O-ND1 2.66Å
178A88Confident91.8Very high0 Ų065.4 Ų65.40%032%0.321CS..G310 helixtrans-62.1-31.4172.100000111.5E138 A146 H180 N181 F182E138-A178 HydrophobicContact CB-CB 3.99Å; E138-A178 HydrophobicContact CG-CB 4.46Å; E138-A178 PolarHBondContact OE2-N 3.28Å; A146-A178 HydrophobicContact CB-CB 4.21Å; A178-H180 PolarHBondContact O-N 2.92Å; A178-H180 VanDerWaalsContact O-N 3.16Å; A178-N181 WeakPolarHBondContact O-CB 3.45Å; A178-N181 PolarHBondContact O-N 2.86Å; A178-N181 VanDerWaalsContact O-N 3.09Å; A178-N181 PolarHBondContact O-ND2 3.32Å; A178-F182 WeakPolarHBondContact O-CD2 3.45Å
179R89.1Confident91.5Very high130 Ų13061 Ų6149%0.49129%0.294SS..G310 helixtrans-57.7-27.3178.1-179.5175.9-177.41792.2113.6E138 L148 G177 N181 F182E138-R179 HydrophobicContact CG-CB 4.01Å; E138-R179 VanDerWaalsContact OE1-CB 3.24Å; E138-R179 WeakPolarHBondContact OE1-CB 3.48Å; E138-R179 WeakPolarHBondContact OE2-CB 2.98Å; E138-R179 PolarHBondContact OE2-N 3.42Å; L148-R179 HydrophobicContact CD1-CB 4.26Å; G177-R179 PolarHBondContact O-N 3.49Å; R179-N181 PolarHBondContact O-N 2.93Å; R179-N181 VanDerWaalsContact O-N 3.16Å; R179-F182 PolarHBondContact O-N 3.12Å; R179-F182 VanDerWaalsContact O-O 3.05Å
180H89.7Confident91.3Very high140 Ų14052.4 Ų52.465%0.64826%0.257SS*.G310 helixtrans-63.7-20178.2-62.5139.4000113.8G177 A178 F182 R257G177-H180 PolarHBondContact O-N 2.66Å; G177-H180 PolarHBondContact O-ND1 2.66Å; A178-H180 PolarHBondContact O-N 2.92Å; A178-H180 VanDerWaalsContact O-N 3.16Å; H180-F182 VanDerWaalsContact C-N 3.26Å; H180-R257 WeakPolarHBondContact O-CD 3.37Å; H180-R257 PolarHBondContact O-NH1 3.11Å
181N88.1Confident90.9Very high23 Ų2351 Ų5112%0.12325%0.254CS..G310 helixtrans-80.3-7174.8-61.5-60.6000112.9A146 A178 R179 T256 R257A146-N181 HydrophobicContact CB-CB 4.33Å; A178-N181 WeakPolarHBondContact O-CB 3.45Å; A178-N181 PolarHBondContact O-N 2.86Å; A178-N181 VanDerWaalsContact O-N 3.09Å; A178-N181 PolarHBondContact O-ND2 3.32Å; R179-N181 PolarHBondContact O-N 2.93Å; R179-N181 VanDerWaalsContact O-N 3.16Å; N181-T256 CarbonylContact O-C 3.55Å; N181-T256 WeakPolarHBondContact O-CA 3.4Å; N181-R257 PolarHBondContact O-N 3.2Å
182F91.4Very high90.5Very high10 Ų1043 Ų434%0.04423%0.228CC..EExtended strand (participates in β ladder)trans-119.8135.6-175.9-60.6-86.3000110.5A146 L148 A178 R179 H180 F254 V255 T256 W287 N289A146-F182 HydrophobicContact CB-CE2 3.95Å; A146-F182 HydrophobicContact CB-CZ 4.31Å; L148-F182 HydrophobicContact CB-CD2 4Å; L148-F182 HydrophobicContact CB-CE2 3.88Å; L148-F182 HydrophobicContact CB-CG 4.41Å; L148-F182 HydrophobicContact CB-CZ 4.18Å; L148-F182 HydrophobicContact CD2-CB 4.16Å; L148-F182 HydrophobicContact CD2-CD2 4.29Å; L148-F182 HydrophobicContact CD2-CG 4.15Å; A178-F182 WeakPolarHBondContact O-CD2 3.45Å; R179-F182 PolarHBondContact O-N 3.12Å; R179-F182 VanDerWaalsContact O-O 3.05Å; H180-F182 VanDerWaalsContact C-N 3.26Å; F182-F254 HydrophobicContact CB-CB 4.12Å; F182-F254 HydrophobicContact CB-CD1 3.93Å; F182-F254 HydrophobicContact CB-CG 4.41Å; F182-F254 HydrophobicContact CD1-CB 4.24Å; F182-V255 CarbonylContact C-O 3.51Å; F182-V255 WeakPolarHBondContact CA-O 3.45Å; F182-T256 HydrophobicContact CD1-CG2 3.73Å; F182-T256 HydrophobicContact CE1-CG2 3.45Å; F182-T256 VanDerWaalsContact CE1-CG2 3.45Å; F182-T256 HydrophobicContact CZ-CG2 4.39Å; F182-W287 HydrophobicContact CD1-CB 4.16Å; F182-W287 HydrophobicContact CE1-CB 3.78Å; F182-W287 HydrophobicContact CZ-CB 4.48Å; F182-N289 HydrophobicContact CZ-CB 4.35Å
183I91.9Very high89.8Confident62 Ų6249.1 Ų49.132%0.31826%0.256SS..EExtended strand (participates in β ladder)trans-113.3133.9169.7-55.8160.2000107.7M185 F254 V255 R257I183-M185 HydrophobicContact CB-CG 4.17Å; I183-M185 HydrophobicContact CB-SD 4.35Å; I183-M185 HydrophobicContact CG2-CG 3.91Å; I183-M185 HydrophobicContact CG2-SD 3.52Å; I183-M185 VanDerWaalsContact CG2-SD 3.52Å; I183-M185 PolarHBondContact O-N 2.93Å; I183-F254 CarbonylContact O-C 3.57Å; I183-F254 WeakPolarHBondContact O-CA 3.23Å; I183-V255 PolarHBondContact N-O 2.82Å; I183-V255 PolarHBondContact O-N 3.49Å; I183-R257 HydrophobicContact CD1-CG 3.51Å; I183-R257 HydrophobicContact CG1-CG 3.68Å
184Q92.2Very high88.6Confident90 Ų9052.9 Ų52.942%0.42127%0.273SS..EExtended strand (participates in β ladder)trans-75.1117.2169.3-169.217412.400109.2V230 L252 E253 F254Q184-V230 HydrophobicContact CG-CG2 4.44Å; Q184-V230 VanDerWaalsContact O-CG2 3.27Å; Q184-V230 WeakPolarHBondContact O-CG2 3.24Å; Q184-L252 HydrophobicContact CG-CB 4.42Å; Q184-E253 WeakPolarHBondContact CA-O 3.39Å; Q184-F254 HydrophobicContact CB-CD1 4.1Å; Q184-F254 HydrophobicContact CB-CE1 3.76Å; Q184-F254 HydrophobicContact CB-CZ 4.2Å; Q184-F254 HydrophobicContact CG-CE1 4.4Å; Q184-F254 HydrophobicContact CG-CZ 4.39Å
185M93.4Very high87.9Confident23 Ų2351.5 Ų51.511%0.11327%0.266CS..EExtended strand (participates in β ladder)trans-126.9160-178.4-61.3-61.9-79.900109.8I183 E210 V227 C228 L252 E253 V255I183-M185 HydrophobicContact CB-CG 4.17Å; I183-M185 HydrophobicContact CB-SD 4.35Å; I183-M185 HydrophobicContact CG2-CG 3.91Å; I183-M185 HydrophobicContact CG2-SD 3.52Å; I183-M185 VanDerWaalsContact CG2-SD 3.52Å; I183-M185 PolarHBondContact O-N 2.93Å; M185-E210 WeakPolarHBondContact CE-OE2 3.17Å; M185-V227 HydrophobicContact CB-CG1 3.74Å; M185-V227 HydrophobicContact CE-CG1 4.16Å; M185-V227 HydrophobicContact CG-CG1 4.07Å; M185-C228 WeakPolarHBondContact CE-O 3.24Å; M185-L252 WeakPolarHBondContact O-CA 3.37Å; M185-E253 PolarHBondContact N-O 3.27Å; M185-E253 PolarHBondContact O-N 3.14Å; M185-E253 VanDerWaalsContact O-O 3.14Å; M185-V255 HydrophobicContact CB-CG2 4Å; M185-V255 HydrophobicContact CG-CB 4.24Å; M185-V255 HydrophobicContact CG-CG2 4.26Å
186G91.9Very high87.6Confident0 Ų053.5 Ų53.50%028%0.28CS..EExtended strand (participates in β ladder)trans-78.9128.716600000109.8V227 C228 L233G186-V227 CarbonylContact O-C 3.57Å; G186-V227 WeakPolarHBondContact O-CA 3.37Å; G186-C228 PolarHBondContact N-O 2.7Å; G186-C228 PolarHBondContact O-N 2.86Å; G186-C228 PolarHBondContact O-SG 3.27Å; G186-L233 VanDerWaalsContact CA-CD1 3.48Å
187V91.6Very high87.5Confident2 Ų247.6 Ų47.61%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-122.3125.8177.5-179.80000108.7K225 F226 V227 A250 G251 E253 V255V187-K225 HydrophobicContact CG1-CB 4.07Å; V187-K225 HydrophobicContact CG1-CD 4.24Å; V187-K225 HydrophobicContact CG1-CG 4.22Å; V187-F226 WeakPolarHBondContact CA-O 3.35Å; V187-V227 HydrophobicContact CG2-CG2 4.44Å; V187-A250 WeakPolarHBondContact O-CA 3.29Å; V187-G251 PolarHBondContact N-O 3.48Å; V187-G251 PolarHBondContact O-N 3.24Å; V187-E253 HydrophobicContact CB-CB 4.3Å; V187-E253 HydrophobicContact CB-CG 4.19Å; V187-E253 HydrophobicContact CG2-CB 3.83Å; V187-E253 HydrophobicContact CG2-CG 4.28Å; V187-V255 HydrophobicContact CG2-CG2 3.95Å
188V91.8Very high87.6Confident0 Ų053.4 Ų53.40%028%0.275CS..EExtended strand (participates in β ladder)trans-113.1121.6173.7-178.60000107.8K225 F226 L233 V236 R237 L240 I247 A250V188-K225 WeakPolarHBondContact O-CA 3.49Å; V188-F226 HydrophobicContact CB-CB 4.34Å; V188-F226 PolarHBondContact N-O 2.75Å; V188-F226 PolarHBondContact O-N 3.24Å; V188-L233 HydrophobicContact CG2-CD1 4.14Å; V188-V236 HydrophobicContact CG2-CG1 4.28Å; V188-R237 HydrophobicContact CG2-CB 4.4Å; V188-L240 HydrophobicContact CB-CD1 4.22Å; V188-L240 HydrophobicContact CG1-CD1 3.87Å; V188-I247 HydrophobicContact CG1-CD1 3.61Å; V188-I247 HydrophobicContact CG1-CG1 3.97Å; V188-I247 HydrophobicContact CG1-CG2 3.79Å; V188-A250 HydrophobicContact CG2-CB 4.19Å
189T90Very high87.7Confident4 Ų458.1 Ų58.13%0.02530%0.296CS..EExtended strand (participates in β ladder)trans-108.5131.6-177.6-44.20000110.1Q223 L224 K225 T248 S249T189-Q223 HydrophobicContact CG2-CB 4.05Å; T189-Q223 VanDerWaalsContact CG2-OE1 3.31Å; T189-L224 CarbonylContact C-O 3.59Å; T189-L224 VanDerWaalsContact CA-O 3.3Å; T189-L224 WeakPolarHBondContact CA-O 3.39Å; T189-K225 HydrophobicContact CG2-CG 4.17Å; T189-T248 PolarHBondContact O-N 3.4Å; T189-S249 VanDerWaalsContact CB-OG 3.24Å; T189-S249 WeakPolarHBondContact CB-OG 3.38Å; T189-S249 PolarHBondContact N-O 3.38Å; T189-S249 PolarHBondContact O-N 3.17Å; T189-S249 PolarHBondContact OG1-OG 3.05Å
190A89.8Confident87.7Confident1 Ų152 Ų521%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-13115217400000109.3Q223 L224 F226A190-Q223 CarbonylContact O-C 3.59Å; A190-Q223 WeakPolarHBondContact O-CA 3.33Å; A190-L224 PolarHBondContact N-O 2.85Å; A190-L224 PolarHBondContact O-N 3.29Å; A190-F226 HydrophobicContact CB-CE2 4.3Å
191P87.8Confident87.8Confident34 Ų3449.8 Ų49.822%0.22127%0.266CS..EExtended strand (participates in β ladder)trans-64.1143.9170.229.4-29.7000109.4E193 H246 T248P191-E193 HydrophobicContact CB-CG 4.28Å; P191-E193 PolarHBondContact O-N 2.71Å; P191-H246 WeakPolarHBondContact CD-O 3.38Å; P191-T248 WeakPolarHBondContact CD-OG1 3.39Å
192A83.8Confident88Confident20 Ų2054.5 Ų54.517%0.16529%0.287CS..  trans-81.13175.800000112.8D194 V195 L222 L224A192-D194 PolarHBondContact O-N 2.92Å; A192-D194 VanDerWaalsContact O-N 3.14Å; A192-V195 PolarHBondContact O-N 3.08Å; A192-V195 VanDerWaalsContact O-N 3.15Å; A192-L222 HydrophobicContact CB-CB 3.7Å; A192-L222 WeakPolarHBondContact CB-O 3.25Å; A192-L222 PolarHBondContact N-O 3.46Å; A192-L224 HydrophobicContact CB-CD1 4.41Å; A192-L224 HydrophobicContact CB-CD2 4.26Å; A192-L224 HydrophobicContact CB-CG 3.89Å
193E77.8Confident88Confident131 Ų13154.6 Ų54.661%0.61229%0.287SS*.THydrogen-bonded Turntrans-55118.8-179.4-65-178.9-177.200110P191 V195P191-E193 HydrophobicContact CB-CG 4.28Å; P191-E193 PolarHBondContact O-N 2.71Å; E193-V195 VanDerWaalsContact C-N 3.29Å; E193-V195 PolarHBondContact O-N 2.74Å
194D71.3Confident88Confident164 Ų16451.8 Ų51.888%0.87727%0.274SS*.THydrogen-bonded Turntrans64.518179-54.1-40.3000116.8A192A192-D194 PolarHBondContact O-N 2.92Å; A192-D194 VanDerWaalsContact O-N 3.14Å
195V82Confident88Confident24 Ų2454 Ų5415%0.14529%0.287CS..  trans-114.6116.8175.6-175.60000109.8A192 E193 K199 A200 M203 L224 L245A192-V195 PolarHBondContact O-N 3.08Å; A192-V195 VanDerWaalsContact O-N 3.15Å; E193-V195 VanDerWaalsContact C-N 3.29Å; E193-V195 PolarHBondContact O-N 2.74Å; V195-K199 HydrophobicContact CG1-CB 4.31Å; V195-A200 HydrophobicContact CG1-CB 3.94Å; V195-M203 HydrophobicContact CG1-CE 3.43Å; V195-M203 VanDerWaalsContact CG1-CE 3.43Å; V195-M203 HydrophobicContact CG2-CE 4.4Å; V195-L224 HydrophobicContact CB-CD1 4.03Å; V195-L224 HydrophobicContact CG1-CD1 3.78Å; V195-L245 HydrophobicContact CG2-CD2 3.77Å
196S85.7Confident88Confident67 Ų6759.3 Ų59.347%0.46931%0.312SS..  trans-70.5151.5170.763.30000110.9E198 K199 A200S196-E198 PolarHBondContact O-N 3.39Å; S196-K199 PolarHBondContact O-N 3.39Å; S196-K199 WeakPolarHBondContact OG-CB 3.48Å; S196-K199 PolarHBondContact OG-N 2.86Å; S196-A200 PolarHBondContact O-N 2.84Å
197A84.8Confident88Confident48 Ų4859.4 Ų59.440%0.39731%0.312SS..Hα-helixtrans-52.7-41.1175.800000112.5A200 L201 E214A197-A200 WeakPolarHBondContact O-CB 3.29Å; A197-A200 PolarHBondContact O-N 3.37Å; A197-L201 WeakPolarHBondContact O-CG 3.14Å; A197-L201 PolarHBondContact O-N 3.37Å; A197-E214 VanDerWaalsContact CB-OE1 3.29Å; A197-E214 WeakPolarHBondContact CB-OE1 3.44Å
198E88.1Confident88Confident148 Ų14861.1 Ų61.169%0.69233%0.331SS*.Hα-helixtrans-60.7-46.8176.2-64.8179.4168.400111.9S196 A200 L201 E202S196-E198 PolarHBondContact O-N 3.39Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 2.76Å; E198-L201 PolarHBondContact O-N 3.1Å; E198-E202 WeakPolarHBondContact O-CG 3.28Å; E198-E202 PolarHBondContact O-N 3.33Å
199K90.3Very high88Confident100 Ų10061.9 Ų61.944%0.43534%0.337SS..Hα-helixtrans-66.6-37178.4-169.9-178.1177.3-173.10111.5V195 S196 L201 E202 M203V195-K199 HydrophobicContact CG1-CB 4.31Å; S196-K199 PolarHBondContact O-N 3.39Å; S196-K199 WeakPolarHBondContact OG-CB 3.48Å; S196-K199 PolarHBondContact OG-N 2.86Å; K199-L201 VanDerWaalsContact C-N 3.32Å; K199-L201 PolarHBondContact O-N 2.77Å; K199-E202 PolarHBondContact O-N 3.47Å; K199-M203 HydrophobicContact CG-CE 4.13Å; K199-M203 HydrophobicContact CG-SD 4.48Å; K199-M203 WeakPolarHBondContact O-CE 3.35Å; K199-M203 VanDerWaalsContact O-CG 3.3Å; K199-M203 WeakPolarHBondContact O-CG 3.27Å; K199-M203 PolarHBondContact O-N 2.89Å
200A89.1Confident88.1Confident1 Ų167.9 Ų67.91%0.00837%0.365CS..Hα-helixtrans-60-44174.600000111.4V195 S196 A197 E198 M203 A204 V212 L224 F226V195-A200 HydrophobicContact CG1-CB 3.94Å; S196-A200 PolarHBondContact O-N 2.84Å; A197-A200 WeakPolarHBondContact O-CB 3.29Å; A197-A200 PolarHBondContact O-N 3.37Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 2.76Å; A200-M203 PolarHBondContact O-N 2.99Å; A200-A204 WeakPolarHBondContact O-CB 3.43Å; A200-A204 PolarHBondContact O-N 3.35Å; A200-V212 HydrophobicContact CB-CG1 4.29Å; A200-L224 HydrophobicContact CB-CD1 3.65Å; A200-L224 HydrophobicContact CB-CD2 4.23Å; A200-F226 WeakPolarHBondContact O-CE1 3.47Å
201L90.6Very high88.1Confident94 Ų9471.6 Ų71.649%0.49238%0.384SS..Hα-helixtrans-64.5-42.7176.4-70.6167.1000112.3A197 E198 K199 A204 I205 V212A197-L201 WeakPolarHBondContact O-CG 3.14Å; A197-L201 PolarHBondContact O-N 3.37Å; E198-L201 PolarHBondContact O-N 3.1Å; K199-L201 VanDerWaalsContact C-N 3.32Å; K199-L201 PolarHBondContact O-N 2.77Å; L201-A204 WeakPolarHBondContact O-CB 3.42Å; L201-A204 PolarHBondContact O-N 3.45Å; L201-I205 VanDerWaalsContact O-CG1 3.31Å; L201-I205 WeakPolarHBondContact O-CG1 3.27Å; L201-I205 PolarHBondContact O-N 3.19Å; L201-V212 HydrophobicContact CD2-CB 4.23Å; L201-V212 HydrophobicContact CD2-CG2 4.24Å
202E91.8Very high88.2Confident122 Ų12271.1 Ų71.157%0.5738%0.381SS*.Hα-helixtrans-58.7-49.6174.8-71.5175.2174.400111.4E198 K199 A204 I205 E206E198-E202 WeakPolarHBondContact O-CG 3.28Å; E198-E202 PolarHBondContact O-N 3.33Å; K199-E202 PolarHBondContact O-N 3.47Å; E202-A204 VanDerWaalsContact C-N 3.29Å; E202-A204 PolarHBondContact O-N 3.48Å; E202-I205 PolarHBondContact O-N 2.86Å; E202-E206 WeakPolarHBondContact O-CG 3.37Å; E202-E206 PolarHBondContact O-N 3.42Å
203M91.8Very high88.3Confident11 Ų1173 Ų735%0.05439%0.386CS..Hα-helixtrans-62.6-35.3178.1-69-175.3-63.600112.5V195 K199 A200 E206 A207 L240 L243 L245V195-M203 HydrophobicContact CG1-CE 3.43Å; V195-M203 VanDerWaalsContact CG1-CE 3.43Å; V195-M203 HydrophobicContact CG2-CE 4.4Å; K199-M203 HydrophobicContact CG-CE 4.13Å; K199-M203 HydrophobicContact CG-SD 4.48Å; K199-M203 WeakPolarHBondContact O-CE 3.35Å; K199-M203 VanDerWaalsContact O-CG 3.3Å; K199-M203 WeakPolarHBondContact O-CG 3.27Å; K199-M203 PolarHBondContact O-N 2.89Å; A200-M203 PolarHBondContact O-N 2.99Å; M203-E206 PolarHBondContact O-N 2.86Å; M203-A207 WeakPolarHBondContact O-CB 3.42Å; M203-A207 PolarHBondContact O-N 2.81Å; M203-L240 HydrophobicContact CB-CD2 4.22Å; M203-L243 HydrophobicContact CB-CD1 4.02Å; M203-L243 HydrophobicContact CG-CD1 4.08Å; M203-L243 HydrophobicContact SD-CB 4.4Å; M203-L245 HydrophobicContact CE-CD1 3.73Å; M203-L245 HydrophobicContact CE-CD2 3.89Å; M203-L245 HydrophobicContact CE-CG 4.02Å; M203-L245 HydrophobicContact SD-CD1 3.78Å; M203-L245 HydrophobicContact SD-CD2 4.22Å; M203-L245 HydrophobicContact SD-CG 3.83Å
204A92.4Very high88.6Confident4 Ų472.7 Ų72.73%0.03338%0.384CS..Hα-helixtrans-64.4-44.9175.900000112A200 L201 E202 A207 G208 A209 V212 F226A200-A204 WeakPolarHBondContact O-CB 3.43Å; A200-A204 PolarHBondContact O-N 3.35Å; L201-A204 WeakPolarHBondContact O-CB 3.42Å; L201-A204 PolarHBondContact O-N 3.45Å; E202-A204 VanDerWaalsContact C-N 3.29Å; E202-A204 PolarHBondContact O-N 3.48Å; A204-A207 PolarHBondContact O-N 2.91Å; A204-G208 PolarHBondContact O-N 3.31Å; A204-A209 HydrophobicContact CB-CB 4.06Å; A204-A209 PolarHBondContact O-N 2.81Å; A204-V212 HydrophobicContact CB-CG2 3.14Å; A204-F226 HydrophobicContact CB-CD1 3.76Å; A204-F226 HydrophobicContact CB-CE1 3.92Å
205I92.9Very high89Confident135 Ų13566.5 Ų66.569%0.69235%0.353SS*.Hα-helixtrans-62.4-45177.2-67165.1000110.3L201 E202 G208L201-I205 VanDerWaalsContact O-CG1 3.31Å; L201-I205 WeakPolarHBondContact O-CG1 3.27Å; L201-I205 PolarHBondContact O-N 3.19Å; E202-I205 PolarHBondContact O-N 2.86Å; I205-G208 PolarHBondContact O-N 2.9Å
206E92Very high88.7Confident136 Ų13671.7 Ų71.764%0.63638%0.375SS*.Hα-helixtrans-64.8-41.4178.1-71.4-176.2174.700112.7E202 M203 G208 L243E202-E206 WeakPolarHBondContact O-CG 3.37Å; E202-E206 PolarHBondContact O-N 3.42Å; M203-E206 PolarHBondContact O-N 2.86Å; E206-G208 VanDerWaalsContact C-N 3.26Å; E206-G208 PolarHBondContact O-N 3.44Å; E206-L243 HydrophobicContact CB-CD1 4.27Å; E206-L243 WeakPolarHBondContact OE2-CD2 3.48Å
207A92.4Very high87.9Confident1 Ų170.6 Ų70.61%0.00836%0.364CS..Hα-helixtrans-71.7-22.1177.900000112.9M203 A204 V236 L240M203-A207 WeakPolarHBondContact O-CB 3.42Å; M203-A207 PolarHBondContact O-N 2.81Å; A204-A207 PolarHBondContact O-N 2.91Å; A207-V236 HydrophobicContact CB-CG1 4.22Å; A207-L240 HydrophobicContact CB-CD2 3.77Å; A207-L240 HydrophobicContact CB-CG 3.86Å
208G91.9Very high87Confident39 Ų3975.2 Ų75.240%0.40238%0.378SS..THydrogen-bonded Turntrans82.431.1-174.300000113.4A204 I205 E206A204-G208 PolarHBondContact O-N 3.31Å; I205-G208 PolarHBondContact O-N 2.9Å; E206-G208 VanDerWaalsContact C-N 3.26Å; E206-G208 PolarHBondContact O-N 3.44Å
209A92.9Very high86.1Confident16 Ų1674.5 Ų74.513%0.13237%0.374CS..  trans-75.3146.2167.600000110.3A204 F226 V227 V236A204-A209 HydrophobicContact CB-CB 4.06Å; A204-A209 PolarHBondContact O-N 2.81Å; A209-F226 HydrophobicContact CB-CB 4.16Å; A209-F226 HydrophobicContact CB-CD1 4.48Å; A209-V227 CarbonylContact C-O 3.55Å; A209-V236 HydrophobicContact CB-CG1 4.25Å
210E91.8Very high85.1Confident130 Ų13077.5 Ų77.561%0.60739%0.39SS*.SBendtrans-82.8-32.5-179.4-67.1-179.3-164.500112.3M185 V227 A229M185-E210 WeakPolarHBondContact CE-OE2 3.17Å; E210-V227 PolarHBondContact N-O 3.02Å; E210-A229 PolarHBondContact OE1-N 3.45Å
211D89.2Confident84.6Confident79 Ų7982 Ų8242%0.42241%0.409SS..EExtended strand (participates in β ladder)trans-150.8157.1-176.6-170.826.4000111.2Q213 V227D211-Q213 PolarHBondContact OD2-NE2 3.21Å; D211-V227 HydrophobicContact CB-CB 4.13Å; D211-V227 PolarHBondContact N-O 3.29Å; D211-V227 PolarHBondContact O-N 2.92Å
212V90.6Very high84.3Confident24 Ų2482 Ų8215%0.14541%0.41CS..EExtended strand (participates in β ladder)trans-130.3124.4175.1-175.40000108.9A200 L201 A204 L224 K225 F226A200-V212 HydrophobicContact CB-CG1 4.29Å; L201-V212 HydrophobicContact CD2-CB 4.23Å; L201-V212 HydrophobicContact CD2-CG2 4.24Å; A204-V212 HydrophobicContact CB-CG2 3.14Å; V212-L224 HydrophobicContact CG1-CD2 4.48Å; V212-K225 WeakPolarHBondContact CA-O 3.32Å; V212-F226 HydrophobicContact CG1-CD1 4.46Å; V212-F226 HydrophobicContact CG1-CE1 4.3Å; V212-F226 HydrophobicContact CG2-CD1 3.79Å; V212-F226 HydrophobicContact CG2-CE1 4Å
213Q85.8Confident84Confident59 Ų5977.7 Ų77.728%0.27639%0.389SS..EExtended strand (participates in β ladder)trans-119.4130.2-179.5-60.1176.35.400109.9D211 K225D211-Q213 PolarHBondContact OD2-NE2 3.21Å; Q213-K225 HydrophobicContact CB-CB 4.28Å; Q213-K225 PolarHBondContact N-O 3.1Å; Q213-K225 PolarHBondContact O-N 2.83Å
214E84.3Confident83.9Confident124 Ų12477.3 Ų77.358%0.57939%0.387SS*.EExtended strand (participates in β ladder)trans-86.6127.3170.4-58.4-173.4171.800108.5A197 L224A197-E214 VanDerWaalsContact CB-OE1 3.29Å; A197-E214 WeakPolarHBondContact CB-OE1 3.44Å; E214-L224 HydrophobicContact CG-CD2 3.82Å
215T78.3Confident83.8Confident35 Ų3579.8 Ų79.822%0.21540%0.397CS..EExtended strand (participates in β ladder)trans-139.9160.3-177.956.40000110L222 Q223 K225T215-L222 CarbonylContact O-C 3.58Å; T215-Q223 PolarHBondContact N-O 2.93Å; T215-Q223 PolarHBondContact O-N 3.47Å; T215-Q223 VanDerWaalsContact O-O 3.09Å; T215-Q223 PolarHBondContact OG1-O 3.11Å; T215-K225 HydrophobicContact CG2-CD 3.94Å; T215-K225 HydrophobicContact CG2-CG 4.45Å; T215-K225 WeakPolarHBondContact OG1-CE 3.39Å
216E75.3Confident83.8Confident132 Ų13273.3 Ų73.362%0.61736%0.364SS*.EExtended strand (participates in β ladder)trans-104.3146.8173.1-68.6175-174.300110.5K221 L222E216-K221 WeakPolarHBondContact CA-O 3.43Å; E216-L222 HydrophobicContact CG-CD2 3.88Å
217D69.9Low83.8Confident45 Ų4567.1 Ų67.124%0.24134%0.336CS..  trans-88.7-179.2173.17310.6000113.4E219 E220 K221 Q223D217-E219 PolarHBondContact O-N 3.07Å; D217-E219 VanDerWaalsContact OD1-C 3.32Å; D217-E219 VanDerWaalsContact OD1-CA 3.31Å; D217-E219 WeakPolarHBondContact OD1-CA 3.09Å; D217-E219 WeakPolarHBondContact OD1-CB 3.3Å; D217-E219 PolarHBondContact OD1-N 3.48Å; D217-E220 PolarHBondContact O-N 3.2Å; D217-E220 PolarHBondContact OD1-N 2.97Å; D217-K221 PolarHBondContact N-O 2.76Å; D217-K221 WeakPolarHBondContact OD1-CB 3.43Å; D217-K221 PolarHBondContact OD1-N 3.02Å; D217-Q223 HydrophobicContact CB-CG 4.16Å; D217-Q223 VanDerWaalsContact CB-NE2 3.26Å; D217-Q223 PolarHBondContact OD2-NE2 2.98Å
218E65.1Low84Confident145 Ų14567.1 Ų67.168%0.67834%0.335SS*.THydrogen-bonded Turntrans-60.3-14.8178.6-62.1171.9-14200113.4M77 K112M77-E218 WeakPolarHBondContact CE-OE2 3.5Å; K112-E218 IonicContact NZ-OE1 2.98Å; K112-E218 PolarHBondContact NZ-OE1 2.94Å
219E70.1Confident84.1Confident132 Ų13266.2 Ų66.262%0.61733%0.325SS*.THydrogen-bonded Turntrans-105.314.3176.9-59.2-173.8167.900112.6D217 K221D217-E219 PolarHBondContact O-N 3.07Å; D217-E219 VanDerWaalsContact OD1-C 3.32Å; D217-E219 VanDerWaalsContact OD1-CA 3.31Å; D217-E219 WeakPolarHBondContact OD1-CA 3.09Å; D217-E219 WeakPolarHBondContact OD1-CB 3.3Å; D217-E219 PolarHBondContact OD1-N 3.48Å; E219-K221 HydrophobicContact CB-CD 4.43Å; E219-K221 HydrophobicContact CB-CG 4.41Å; E219-K221 PolarHBondContact O-N 3.09Å; E219-K221 WeakPolarHBondContact OE2-CE 3.36Å; E219-K221 IonicContact OE2-NZ 2.84Å; E219-K221 PolarHBondContact OE2-NZ 3.44Å
220E70.2Confident84.1Confident163 Ų16368.7 Ų68.776%0.76234%0.338SS*.SBendtrans59.926.8-177-58.3173.7177.800112.9D217D217-E220 PolarHBondContact O-N 3.2Å; D217-E220 PolarHBondContact OD1-N 2.97Å
221K78.6Confident84.1Confident95 Ų9567.4 Ų67.441%0.41334%0.343SS..  trans-91.4136.4173.5-64.3172.2177.8158.80110.4E216 D217 E219 Q223E216-K221 WeakPolarHBondContact CA-O 3.43Å; D217-K221 PolarHBondContact N-O 2.76Å; D217-K221 WeakPolarHBondContact OD1-CB 3.43Å; D217-K221 PolarHBondContact OD1-N 3.02Å; E219-K221 HydrophobicContact CB-CD 4.43Å; E219-K221 HydrophobicContact CB-CG 4.41Å; E219-K221 PolarHBondContact O-N 3.09Å; E219-K221 WeakPolarHBondContact OE2-CE 3.36Å; E219-K221 IonicContact OE2-NZ 2.84Å; E219-K221 PolarHBondContact OE2-NZ 3.44Å; K221-Q223 PolarHBondContact O-N 2.85Å
222L82.5Confident84.3Confident96 Ų9666.4 Ų66.450%0.50334%0.338SS..EExtended strand (participates in β ladder)trans-65.8131.3175.9-66170.9000111.2A192 T215 E216A192-L222 HydrophobicContact CB-CB 3.7Å; A192-L222 WeakPolarHBondContact CB-O 3.25Å; A192-L222 PolarHBondContact N-O 3.46Å; T215-L222 CarbonylContact O-C 3.58Å; E216-L222 HydrophobicContact CG-CD2 3.88Å
223Q85.9Confident84.3Confident31 Ų3165.9 Ų65.915%0.14533%0.334CS..EExtended strand (participates in β ladder)trans-131.7140.9178.5-63.5-168.6-13.100109.9T189 A190 T215 D217 K221T189-Q223 HydrophobicContact CG2-CB 4.05Å; T189-Q223 VanDerWaalsContact CG2-OE1 3.31Å; A190-Q223 CarbonylContact O-C 3.59Å; A190-Q223 WeakPolarHBondContact O-CA 3.33Å; T215-Q223 PolarHBondContact N-O 2.93Å; T215-Q223 PolarHBondContact O-N 3.47Å; T215-Q223 VanDerWaalsContact O-O 3.09Å; T215-Q223 PolarHBondContact OG1-O 3.11Å; D217-Q223 HydrophobicContact CB-CG 4.16Å; D217-Q223 VanDerWaalsContact CB-NE2 3.26Å; D217-Q223 PolarHBondContact OD2-NE2 2.98Å; K221-Q223 PolarHBondContact O-N 2.85Å
224L89.4Confident84.5Confident2 Ų267.6 Ų67.61%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-96.5127.2173.8-60.4173.5000109.1T189 A190 A192 V195 A200 V212 E214 F226T189-L224 CarbonylContact C-O 3.59Å; T189-L224 VanDerWaalsContact CA-O 3.3Å; T189-L224 WeakPolarHBondContact CA-O 3.39Å; A190-L224 PolarHBondContact N-O 2.85Å; A190-L224 PolarHBondContact O-N 3.29Å; A192-L224 HydrophobicContact CB-CD1 4.41Å; A192-L224 HydrophobicContact CB-CD2 4.26Å; A192-L224 HydrophobicContact CB-CG 3.89Å; V195-L224 HydrophobicContact CB-CD1 4.03Å; V195-L224 HydrophobicContact CG1-CD1 3.78Å; A200-L224 HydrophobicContact CB-CD1 3.65Å; A200-L224 HydrophobicContact CB-CD2 4.23Å; V212-L224 HydrophobicContact CG1-CD2 4.48Å; E214-L224 HydrophobicContact CG-CD2 3.82Å; L224-F226 HydrophobicContact CB-CD2 4.45Å; L224-F226 HydrophobicContact CB-CE2 3.74Å; L224-F226 HydrophobicContact CB-CZ 4.17Å; L224-F226 HydrophobicContact CD1-CE2 4.45Å; L224-F226 HydrophobicContact CD1-CZ 4.22Å
225K89.9Confident84.9Confident56 Ų5668 Ų6824%0.24335%0.345CS..EExtended strand (participates in β ladder)trans-108.5110.9172.1-68.6-174-178.6-173.50109.4V187 V188 T189 V212 Q213 T215V187-K225 HydrophobicContact CG1-CB 4.07Å; V187-K225 HydrophobicContact CG1-CD 4.24Å; V187-K225 HydrophobicContact CG1-CG 4.22Å; V188-K225 WeakPolarHBondContact O-CA 3.49Å; T189-K225 HydrophobicContact CG2-CG 4.17Å; V212-K225 WeakPolarHBondContact CA-O 3.32Å; Q213-K225 HydrophobicContact CB-CB 4.28Å; Q213-K225 PolarHBondContact N-O 3.1Å; Q213-K225 PolarHBondContact O-N 2.83Å; T215-K225 HydrophobicContact CG2-CD 3.94Å; T215-K225 HydrophobicContact CG2-CG 4.45Å; T215-K225 WeakPolarHBondContact OG1-CE 3.39Å
226F93.4Very high85.7Confident0 Ų066.3 Ų66.30%034%0.335CS..EExtended strand (participates in β ladder)trans-88.6115.8172.4-59.1-93.8000108.5V187 V188 A190 A200 A204 A209 V212 L224 L240 L245V187-F226 WeakPolarHBondContact CA-O 3.35Å; V188-F226 HydrophobicContact CB-CB 4.34Å; V188-F226 PolarHBondContact N-O 2.75Å; V188-F226 PolarHBondContact O-N 3.24Å; A190-F226 HydrophobicContact CB-CE2 4.3Å; A200-F226 WeakPolarHBondContact O-CE1 3.47Å; A204-F226 HydrophobicContact CB-CD1 3.76Å; A204-F226 HydrophobicContact CB-CE1 3.92Å; A209-F226 HydrophobicContact CB-CB 4.16Å; A209-F226 HydrophobicContact CB-CD1 4.48Å; V212-F226 HydrophobicContact CG1-CD1 4.46Å; V212-F226 HydrophobicContact CG1-CE1 4.3Å; V212-F226 HydrophobicContact CG2-CD1 3.79Å; V212-F226 HydrophobicContact CG2-CE1 4Å; L224-F226 HydrophobicContact CB-CD2 4.45Å; L224-F226 HydrophobicContact CB-CE2 3.74Å; L224-F226 HydrophobicContact CB-CZ 4.17Å; L224-F226 HydrophobicContact CD1-CE2 4.45Å; L224-F226 HydrophobicContact CD1-CZ 4.22Å; F226-L240 HydrophobicContact CB-CD1 4Å; F226-L240 HydrophobicContact CD1-CD1 4.19Å; F226-L240 HydrophobicContact CD1-CD2 4.13Å; F226-L240 HydrophobicContact CD2-CD1 3.81Å; F226-L240 HydrophobicContact CE1-CD2 4.01Å; F226-L240 HydrophobicContact CE2-CD1 4.35Å; F226-L240 HydrophobicContact CG-CD1 3.73Å; F226-L240 HydrophobicContact CG-CD2 4.45Å; F226-L240 HydrophobicContact CZ-CD2 4.23Å; F226-L245 HydrophobicContact CE2-CD1 4.01Å; F226-L245 HydrophobicContact CZ-CD1 3.83Å
227V93.4Very high86.5Confident6 Ų662 Ų624%0.03631%0.313CS..EExtended strand (participates in β ladder)trans-97.9135.9-179.2-174.80000109.2M185 G186 V187 A209 E210 D211 V255M185-V227 HydrophobicContact CB-CG1 3.74Å; M185-V227 HydrophobicContact CE-CG1 4.16Å; M185-V227 HydrophobicContact CG-CG1 4.07Å; G186-V227 CarbonylContact O-C 3.57Å; G186-V227 WeakPolarHBondContact O-CA 3.37Å; V187-V227 HydrophobicContact CG2-CG2 4.44Å; A209-V227 CarbonylContact C-O 3.55Å; E210-V227 PolarHBondContact N-O 3.02Å; D211-V227 HydrophobicContact CB-CB 4.13Å; D211-V227 PolarHBondContact N-O 3.29Å; D211-V227 PolarHBondContact O-N 2.92Å; V227-V255 HydrophobicContact CG1-CG2 4Å; V227-V255 HydrophobicContact CG2-CG2 4.37Å
228C95Very high87.5Confident0 Ų061.7 Ų61.70%032%0.32CS..EExtended strand (participates in β ladder)trans-148.2167.8-179.161.10000111.6M185 G186 V236M185-C228 WeakPolarHBondContact CE-O 3.24Å; G186-C228 PolarHBondContact N-O 2.7Å; G186-C228 PolarHBondContact O-N 2.86Å; G186-C228 PolarHBondContact O-SG 3.27Å; C228-V236 HydrophobicContact CB-CG2 3.82Å
229A94.3Very high88.9Confident21 Ų2156.8 Ų56.817%0.17430%0.302CS..  trans-59.2146.6170.300000111.6E210 S231 D232 L233E210-A229 PolarHBondContact OE1-N 3.45Å; A229-S231 PolarHBondContact O-N 2.77Å; A229-S231 VanDerWaalsContact O-N 3.12Å; A229-D232 PolarHBondContact O-N 3.07Å; A229-L233 PolarHBondContact O-N 2.61Å
230V92.6Very high89.9Confident68 Ų6850.6 Ų50.641%0.41227%0.273SS..THydrogen-bonded Turntrans-54.5-34.9-179.51750000112.5Q184 D232 L252Q184-V230 HydrophobicContact CG-CG2 4.44Å; Q184-V230 VanDerWaalsContact O-CG2 3.27Å; Q184-V230 WeakPolarHBondContact O-CG2 3.24Å; V230-D232 VanDerWaalsContact C-N 3.32Å; V230-D232 PolarHBondContact O-N 2.96Å; V230-L252 HydrophobicContact CB-CD2 4.32Å; V230-L252 HydrophobicContact CG1-CD1 4.1Å; V230-L252 HydrophobicContact CG1-CD2 3.76Å; V230-L252 HydrophobicContact CG2-CD2 4.23Å
231S92.6Very high91Very high102 Ų10247 Ų4771%0.71326%0.256SS*.THydrogen-bonded Turntrans-67.7-29177.6430000113.8A229A229-S231 PolarHBondContact O-N 2.77Å; A229-S231 VanDerWaalsContact O-N 3.12Å
232D93.4Very high91.5Very high58 Ų5845.9 Ų45.931%0.3127%0.271SS..THydrogen-bonded Turntrans-98-4.5-170.4-66.7-60.9000113.3A229 V230 N234 K235 V236A229-D232 PolarHBondContact O-N 3.07Å; V230-D232 VanDerWaalsContact C-N 3.32Å; V230-D232 PolarHBondContact O-N 2.96Å; D232-N234 VanDerWaalsContact C-N 3.29Å; D232-N234 PolarHBondContact O-N 2.85Å; D232-N234 VanDerWaalsContact O-N 3.13Å; D232-K235 WeakPolarHBondContact O-CA 3.39Å; D232-K235 WeakPolarHBondContact O-CB 3.43Å; D232-K235 PolarHBondContact O-N 2.85Å; D232-V236 HydrophobicContact CB-CG2 4.28Å; D232-V236 WeakPolarHBondContact O-CG2 3.33Å; D232-V236 PolarHBondContact O-N 2.83Å
233L90.9Very high91.8Very high13 Ų1344.9 Ų44.97%0.06827%0.266CS..Hα-helixtrans-45-50.8-178.6-17785000113G186 V188 A229 R237 G251 L252G186-L233 VanDerWaalsContact CA-CD1 3.48Å; V188-L233 HydrophobicContact CG2-CD1 4.14Å; A229-L233 PolarHBondContact O-N 2.61Å; L233-R237 VanDerWaalsContact O-CB 3.25Å; L233-R237 WeakPolarHBondContact O-CB 3.35Å; L233-R237 PolarHBondContact O-N 2.85Å; L233-G251 WeakPolarHBondContact CD1-O 3.49Å; L233-L252 HydrophobicContact CD2-CD2 4.34Å
234N89.9Confident91.9Very high96 Ų9646.6 Ų46.651%0.51329%0.292SS..Hα-helixtrans-70-34.5-177-68-29.8000112.5D232 G238D232-N234 VanDerWaalsContact C-N 3.29Å; D232-N234 PolarHBondContact O-N 2.85Å; D232-N234 VanDerWaalsContact O-N 3.13Å; N234-G238 PolarHBondContact O-N 3.27Å; N234-G238 VanDerWaalsContact O-N 3.08Å
235K93.1Very high91.8Very high131 Ų13147.2 Ų47.257%0.5730%0.295SS*.Hα-helixtrans-68.1-50.6177.1177.9-170.9169.1-163.90109.9D232 R237 G238 S239D232-K235 WeakPolarHBondContact O-CA 3.39Å; D232-K235 WeakPolarHBondContact O-CB 3.43Å; D232-K235 PolarHBondContact O-N 2.85Å; K235-R237 VanDerWaalsContact C-N 3.34Å; K235-R237 PolarHBondContact O-N 2.84Å; K235-G238 PolarHBondContact O-N 2.91Å; K235-S239 WeakPolarHBondContact O-CB 3.37Å; K235-S239 PolarHBondContact O-N 2.83Å; K235-S239 PolarHBondContact O-OG 2.83Å; K235-S239 VanDerWaalsContact O-OG 3.11Å
236V93.9Very high91.7Very high0 Ų051.4 Ų51.40%032%0.316CS..Hα-helixtrans-60.2-45.5179173.70000110.4V188 A207 A209 C228 D232 G238 S239 L240V188-V236 HydrophobicContact CG2-CG1 4.28Å; A207-V236 HydrophobicContact CB-CG1 4.22Å; A209-V236 HydrophobicContact CB-CG1 4.25Å; C228-V236 HydrophobicContact CB-CG2 3.82Å; D232-V236 HydrophobicContact CB-CG2 4.28Å; D232-V236 WeakPolarHBondContact O-CG2 3.33Å; D232-V236 PolarHBondContact O-N 2.83Å; V236-G238 PolarHBondContact O-N 3.03Å; V236-S239 PolarHBondContact O-N 3.4Å; V236-L240 HydrophobicContact CG1-CD1 3.7Å; V236-L240 HydrophobicContact CG1-CG 4.28Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.35Å; V236-L240 PolarHBondContact O-N 3.33Å
237R91.9Very high91.4Very high43 Ų4352.6 Ų52.616%0.16232%0.321CS..Hα-helixtrans-53.3-55.1173.6-176.6-163.5174154.55.3111.8N104 E107 V188 L233 K235 S239 L240 E241 I247 A250N104-R237 PolarHBondContact OD1-NH1 3.33Å; E107-R237 IonicContact OE2-NH2 3.37Å; E107-R237 PolarHBondContact OE2-NH2 3.15Å; E107-R237 VanDerWaalsContact OE2-NH2 3.1Å; V188-R237 HydrophobicContact CG2-CB 4.4Å; L233-R237 VanDerWaalsContact O-CB 3.25Å; L233-R237 WeakPolarHBondContact O-CB 3.35Å; L233-R237 PolarHBondContact O-N 2.85Å; K235-R237 VanDerWaalsContact C-N 3.34Å; K235-R237 PolarHBondContact O-N 2.84Å; R237-S239 VanDerWaalsContact C-N 3.34Å; R237-S239 PolarHBondContact O-N 2.77Å; R237-L240 PolarHBondContact O-N 2.71Å; R237-E241 IonicContact CZ-OE1 2.76Å; R237-E241 IonicContact NE-OE1 3.59Å; R237-E241 PolarHBondContact NE-OE1 2.84Å; R237-E241 IonicContact NH2-OE1 3.39Å; R237-E241 PolarHBondContact O-N 2.82Å; R237-I247 HydrophobicContact CB-CD1 4.09Å; R237-I247 HydrophobicContact CG-CD1 3.36Å; R237-I247 VanDerWaalsContact O-CD1 3.28Å; R237-I247 WeakPolarHBondContact O-CD1 3.1Å; R237-A250 HydrophobicContact CG-CB 4.4Å
238G91.1Very high91.1Very high38 Ų3854.1 Ų54.139%0.39233%0.331SS..Hα-helixtrans-64-37.4-177.600000113.2N234 K235 V236 G242N234-G238 PolarHBondContact O-N 3.27Å; N234-G238 VanDerWaalsContact O-N 3.08Å; K235-G238 PolarHBondContact O-N 2.91Å; V236-G238 PolarHBondContact O-N 3.03Å; G238-G242 PolarHBondContact O-N 3.07Å
239S93.8Very high90.7Very high42 Ų4255.3 Ų55.329%0.29434%0.339SS..Hα-helixtrans-64.3-46.9175.2-65.10000111.8K235 V236 R237 E241 G242 L243K235-S239 WeakPolarHBondContact O-CB 3.37Å; K235-S239 PolarHBondContact O-N 2.83Å; K235-S239 PolarHBondContact O-OG 2.83Å; K235-S239 VanDerWaalsContact O-OG 3.11Å; V236-S239 PolarHBondContact O-N 3.4Å; R237-S239 VanDerWaalsContact C-N 3.34Å; R237-S239 PolarHBondContact O-N 2.77Å; S239-E241 PolarHBondContact O-N 3.13Å; S239-G242 PolarHBondContact O-N 3.11Å; S239-G242 VanDerWaalsContact O-N 3.14Å; S239-L243 WeakPolarHBondContact O-CG 3.39Å; S239-L243 PolarHBondContact O-N 3.29Å
240L92.4Very high90.4Very high1 Ų154.6 Ų54.61%0.00533%0.333CS..Hα-helixtrans-64.3-40179-67.1170000111.7V188 M203 A207 F226 V236 R237 G242 L243 G244 L245 I247V188-L240 HydrophobicContact CB-CD1 4.22Å; V188-L240 HydrophobicContact CG1-CD1 3.87Å; M203-L240 HydrophobicContact CB-CD2 4.22Å; A207-L240 HydrophobicContact CB-CD2 3.77Å; A207-L240 HydrophobicContact CB-CG 3.86Å; F226-L240 HydrophobicContact CB-CD1 4Å; F226-L240 HydrophobicContact CD1-CD1 4.19Å; F226-L240 HydrophobicContact CD1-CD2 4.13Å; F226-L240 HydrophobicContact CD2-CD1 3.81Å; F226-L240 HydrophobicContact CE1-CD2 4.01Å; F226-L240 HydrophobicContact CE2-CD1 4.35Å; F226-L240 HydrophobicContact CG-CD1 3.73Å; F226-L240 HydrophobicContact CG-CD2 4.45Å; F226-L240 HydrophobicContact CZ-CD2 4.23Å; V236-L240 HydrophobicContact CG1-CD1 3.7Å; V236-L240 HydrophobicContact CG1-CG 4.28Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.35Å; V236-L240 PolarHBondContact O-N 3.33Å; R237-L240 PolarHBondContact O-N 2.71Å; L240-G242 VanDerWaalsContact C-N 3.32Å; L240-G242 PolarHBondContact O-N 3.34Å; L240-L243 PolarHBondContact O-N 2.8Å; L240-G244 PolarHBondContact O-N 3.32Å; L240-L245 HydrophobicContact CB-CB 4.47Å; L240-L245 HydrophobicContact CB-CD1 4.12Å; L240-L245 HydrophobicContact CD2-CD1 3.7Å; L240-L245 HydrophobicContact CG-CD1 4.39Å; L240-L245 WeakPolarHBondContact O-CB 3.41Å; L240-L245 PolarHBondContact O-N 3.25Å; L240-I247 HydrophobicContact CB-CD1 4.28Å
241E91.9Very high90.1Very high89 Ų8952.3 Ų52.342%0.41632%0.323SS..Hα-helixtrans-60.5-41.3171.7-76.8169.8-17000111.6R237 S239 L243 G244 I247R237-E241 IonicContact CZ-OE1 2.76Å; R237-E241 IonicContact NE-OE1 3.59Å; R237-E241 PolarHBondContact NE-OE1 2.84Å; R237-E241 IonicContact NH2-OE1 3.39Å; R237-E241 PolarHBondContact O-N 2.82Å; S239-E241 PolarHBondContact O-N 3.13Å; E241-L243 VanDerWaalsContact C-N 3.3Å; E241-L243 PolarHBondContact O-N 3.44Å; E241-G244 PolarHBondContact O-N 3.37Å; E241-I247 HydrophobicContact CG-CD1 3.57Å; E241-I247 HydrophobicContact CG-CG1 3.98Å
242G90.3Very high89.9Confident71 Ų7150.3 Ų50.373%0.73230%0.304SS*.Hα-helixtrans-65.9-28.6176.500000114.2G238 S239 L240 G244G238-G242 PolarHBondContact O-N 3.07Å; S239-G242 PolarHBondContact O-N 3.11Å; S239-G242 VanDerWaalsContact O-N 3.14Å; L240-G242 VanDerWaalsContact C-N 3.32Å; L240-G242 PolarHBondContact O-N 3.34Å; G242-G244 PolarHBondContact O-N 3.03Å
243L89.5Confident89.8Confident74 Ų7450 Ų5039%0.38730%0.301SS..THydrogen-bonded Turntrans-80.1-1.3173.4-65.8170000112.9M203 E206 S239 L240 E241M203-L243 HydrophobicContact CB-CD1 4.02Å; M203-L243 HydrophobicContact CG-CD1 4.08Å; M203-L243 HydrophobicContact SD-CB 4.4Å; E206-L243 HydrophobicContact CB-CD1 4.27Å; E206-L243 WeakPolarHBondContact OE2-CD2 3.48Å; S239-L243 WeakPolarHBondContact O-CG 3.39Å; S239-L243 PolarHBondContact O-N 3.29Å; L240-L243 PolarHBondContact O-N 2.8Å; E241-L243 VanDerWaalsContact C-N 3.3Å; E241-L243 PolarHBondContact O-N 3.44Å
244G86.6Confident89.7Confident67 Ų6750.6 Ų50.669%0.69130%0.303SS*.THydrogen-bonded Turntrans90.912.6175.300000114.7L240 E241 G242L240-G244 PolarHBondContact O-N 3.32Å; E241-G244 PolarHBondContact O-N 3.37Å; G242-G244 PolarHBondContact O-N 3.03Å
245L88.3Confident89.6Confident16 Ų1647.2 Ų47.28%0.08429%0.286CS..  trans-78.8132.7172.4-73.1173.7000111.2V195 M203 F226 L240 I247V195-L245 HydrophobicContact CG2-CD2 3.77Å; M203-L245 HydrophobicContact CE-CD1 3.73Å; M203-L245 HydrophobicContact CE-CD2 3.89Å; M203-L245 HydrophobicContact CE-CG 4.02Å; M203-L245 HydrophobicContact SD-CD1 3.78Å; M203-L245 HydrophobicContact SD-CD2 4.22Å; M203-L245 HydrophobicContact SD-CG 3.83Å; F226-L245 HydrophobicContact CE2-CD1 4.01Å; F226-L245 HydrophobicContact CZ-CD1 3.83Å; L240-L245 HydrophobicContact CB-CB 4.47Å; L240-L245 HydrophobicContact CB-CD1 4.12Å; L240-L245 HydrophobicContact CD2-CD1 3.7Å; L240-L245 HydrophobicContact CG-CD1 4.39Å; L240-L245 WeakPolarHBondContact O-CB 3.41Å; L240-L245 PolarHBondContact O-N 3.25Å; L245-I247 PolarHBondContact O-N 2.84Å
246H87.3Confident89.3Confident144 Ų14442.2 Ų42.267%0.66727%0.267SS*.  trans-83.9106.3171-178-74.4000110P191 T248P191-H246 WeakPolarHBondContact CD-O 3.38Å; H246-T248 PolarHBondContact O-N 2.87Å
247I88.2Confident88.9Confident24 Ų2449.2 Ų49.212%0.12329%0.293CS..  trans-74.4126.7179.9-61.7-179000110.4V188 R237 L240 E241 L245 A250V188-I247 HydrophobicContact CG1-CD1 3.61Å; V188-I247 HydrophobicContact CG1-CG1 3.97Å; V188-I247 HydrophobicContact CG1-CG2 3.79Å; R237-I247 HydrophobicContact CB-CD1 4.09Å; R237-I247 HydrophobicContact CG-CD1 3.36Å; R237-I247 VanDerWaalsContact O-CD1 3.28Å; R237-I247 WeakPolarHBondContact O-CD1 3.1Å; L240-I247 HydrophobicContact CB-CD1 4.28Å; E241-I247 HydrophobicContact CG-CD1 3.57Å; E241-I247 HydrophobicContact CG-CG1 3.98Å; L245-I247 PolarHBondContact O-N 2.84Å; I247-A250 HydrophobicContact CG2-CB 4.42Å
248T85.9Confident88.5Confident39 Ų3952 Ų5224%0.23931%0.311CS..SBendtrans-84.1-42.9175.4-59.10000111.3T189 P191 H246T189-T248 PolarHBondContact O-N 3.4Å; P191-T248 WeakPolarHBondContact CD-OG1 3.39Å; H246-T248 PolarHBondContact O-N 2.87Å
249S86.3Confident88.1Confident24 Ų2455.1 Ų55.117%0.16832%0.315CS..EExtended strand (participates in β ladder)trans-153145.6-179.548.70000111.2T189T189-S249 VanDerWaalsContact CB-OG 3.24Å; T189-S249 WeakPolarHBondContact CB-OG 3.38Å; T189-S249 PolarHBondContact N-O 3.38Å; T189-S249 PolarHBondContact O-N 3.17Å; T189-S249 PolarHBondContact OG1-OG 3.05Å
250A88.1Confident87.5Confident6 Ų654.1 Ų54.15%0.0531%0.308CS..EExtended strand (participates in β ladder)trans-136.4130.5168.700000108.6V187 V188 R237 I247V187-A250 WeakPolarHBondContact O-CA 3.29Å; V188-A250 HydrophobicContact CG2-CB 4.19Å; R237-A250 HydrophobicContact CG-CB 4.4Å; I247-A250 HydrophobicContact CG2-CB 4.42Å
251G86Confident87Confident20 Ų2058.6 Ų58.621%0.20634%0.338CS..EExtended strand (participates in β ladder)trans-170.4177-177.100000113.6V187 L233V187-G251 PolarHBondContact N-O 3.48Å; V187-G251 PolarHBondContact O-N 3.24Å; L233-G251 WeakPolarHBondContact CD1-O 3.49Å
252L89.3Confident86.5Confident60 Ų6054.8 Ų54.831%0.31432%0.321SS..EExtended strand (participates in β ladder)trans-90.9124.9173.2-55-177.9000109.3Q184 M185 V230 L233 R285Q184-L252 HydrophobicContact CG-CB 4.42Å; M185-L252 WeakPolarHBondContact O-CA 3.37Å; V230-L252 HydrophobicContact CB-CD2 4.32Å; V230-L252 HydrophobicContact CG1-CD1 4.1Å; V230-L252 HydrophobicContact CG1-CD2 3.76Å; V230-L252 HydrophobicContact CG2-CD2 4.23Å; L233-L252 HydrophobicContact CD2-CD2 4.34Å; L252-R285 PolarHBondContact O-NH1 3.39Å
253E90.4Very high86.3Confident53 Ų5356.8 Ų56.825%0.24832%0.315CS..EExtended strand (participates in β ladder)trans-131.2159.9179.7-61.5-171.2-177.600110.5Q184 M185 V187Q184-E253 WeakPolarHBondContact CA-O 3.39Å; M185-E253 PolarHBondContact N-O 3.27Å; M185-E253 PolarHBondContact O-N 3.14Å; M185-E253 VanDerWaalsContact O-O 3.14Å; V187-E253 HydrophobicContact CB-CB 4.3Å; V187-E253 HydrophobicContact CB-CG 4.19Å; V187-E253 HydrophobicContact CG2-CB 3.83Å; V187-E253 HydrophobicContact CG2-CG 4.28Å
254F89.6Confident86.2Confident25 Ų2558.8 Ų58.811%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-93.7110.8173.3-77.4-81.3000109.3M136 L148 F182 I183 Q184 W287M136-F254 HydrophobicContact CE-CE2 3.7Å; M136-F254 HydrophobicContact CE-CZ 4.14Å; L148-F254 HydrophobicContact CD2-CB 4.08Å; L148-F254 HydrophobicContact CD2-CD1 3.72Å; L148-F254 HydrophobicContact CD2-CD2 3.75Å; L148-F254 HydrophobicContact CD2-CE1 4.05Å; L148-F254 HydrophobicContact CD2-CE2 4.08Å; L148-F254 HydrophobicContact CD2-CG 3.56Å; L148-F254 HydrophobicContact CD2-CZ 4.22Å; F182-F254 HydrophobicContact CB-CB 4.12Å; F182-F254 HydrophobicContact CB-CD1 3.93Å; F182-F254 HydrophobicContact CB-CG 4.41Å; F182-F254 HydrophobicContact CD1-CB 4.24Å; I183-F254 CarbonylContact O-C 3.57Å; I183-F254 WeakPolarHBondContact O-CA 3.23Å; Q184-F254 HydrophobicContact CB-CD1 4.1Å; Q184-F254 HydrophobicContact CB-CE1 3.76Å; Q184-F254 HydrophobicContact CB-CZ 4.2Å; Q184-F254 HydrophobicContact CG-CE1 4.4Å; Q184-F254 HydrophobicContact CG-CZ 4.39Å; F254-W287 HydrophobicContact CB-CB 4.42Å; F254-W287 HydrophobicContact CB-CD2 3.95Å; F254-W287 HydrophobicContact CB-CG 3.84Å; F254-W287 AromaticContact CD2-CD2 3.97Å; F254-W287 HydrophobicContact CD2-CD2 3.97Å; F254-W287 AromaticContact CD2-CE2 3.8Å; F254-W287 HydrophobicContact CD2-CE3 4.02Å; F254-W287 AromaticContact CD2-CH2 3.74Å; F254-W287 HydrophobicContact CD2-CH2 3.74Å; F254-W287 AromaticContact CD2-CZ2 3.7Å; F254-W287 HydrophobicContact CD2-CZ2 3.7Å; F254-W287 AromaticContact CD2-CZ3 3.9Å; F254-W287 HydrophobicContact CD2-CZ3 3.9Å; F254-W287 HydrophobicContact CE2-CH2 4.08Å; F254-W287 HydrophobicContact CE2-CZ2 4.39Å; F254-W287 HydrophobicContact CE2-CZ3 4.29Å; F254-W287 HydrophobicContact CG-CD2 4.39Å
255V88.3Confident86.3Confident25 Ų2562 Ų6215%0.15232%0.319CS..EExtended strand (participates in β ladder)trans-93.8141.7175.5-178.90000109.3F182 I183 M185 V187 V227F182-V255 CarbonylContact C-O 3.51Å; F182-V255 WeakPolarHBondContact CA-O 3.45Å; I183-V255 PolarHBondContact N-O 2.82Å; I183-V255 PolarHBondContact O-N 3.49Å; M185-V255 HydrophobicContact CB-CG2 4Å; M185-V255 HydrophobicContact CG-CB 4.24Å; M185-V255 HydrophobicContact CG-CG2 4.26Å; V187-V255 HydrophobicContact CG2-CG2 3.95Å; V227-V255 HydrophobicContact CG1-CG2 4Å; V227-V255 HydrophobicContact CG2-CG2 4.37Å
256T87.3Confident86.2Confident26 Ų2664.3 Ų64.316%0.1633%0.329CS..EExtended strand (participates in β ladder)trans-83.1134.9-175.152.50000111.5N181 F182 H259 D288 N289N181-T256 CarbonylContact O-C 3.55Å; N181-T256 WeakPolarHBondContact O-CA 3.4Å; F182-T256 HydrophobicContact CD1-CG2 3.73Å; F182-T256 HydrophobicContact CE1-CG2 3.45Å; F182-T256 VanDerWaalsContact CE1-CG2 3.45Å; F182-T256 HydrophobicContact CZ-CG2 4.39Å; T256-H259 PolarHBondContact OG1-CE1 3.4Å; T256-D288 WeakPolarHBondContact CG2-O 3.44Å; T256-N289 HydrophobicContact CG2-CB 3.62Å
257R85Confident86.3Confident147 Ų14759.5 Ų59.556%0.55531%0.308SS*.SBendtrans-78.8-42.3172.5-70.8-179.9168.5161.3-2.5112.7H180 N181 I183H180-R257 WeakPolarHBondContact O-CD 3.37Å; H180-R257 PolarHBondContact O-NH1 3.11Å; N181-R257 PolarHBondContact O-N 3.2Å; I183-R257 HydrophobicContact CD1-CG 3.51Å; I183-R257 HydrophobicContact CG1-CG 3.68Å
258N83.7Confident86.3Confident100 Ų10064 Ų6454%0.53533%0.329SS..SBendtrans-128125.6-173.8-60.3-44.4000108.3N289N258-N289 WeakPolarHBondContact O-CB 3.24Å; N258-N289 PolarHBondContact O-ND2 2.89Å
259H82.6Confident86.4Confident104 Ų10463.7 Ų63.748%0.48133%0.329SS..  trans-86.9145.3174.6-62.5-84.1000110.8T256 N289 Q291T256-H259 PolarHBondContact OG1-CE1 3.4Å; H259-N289 CarbonylContact C-O 3.48Å; H259-N289 VanDerWaalsContact CA-O 3.29Å; H259-N289 WeakPolarHBondContact CA-O 3.27Å; H259-Q291 HydrophobicContact CB-CB 4.19Å
260S80.2Confident86.6Confident21 Ų2162.6 Ų62.615%0.14732%0.322CS..BIsolated β-bridgetrans-106122.7170.258.10000109.9C145 N289 Q291C145-S260 WeakPolarHBondContact CB-OG 3.43Å; S260-N289 PolarHBondContact N-O 3.47Å; S260-N289 PolarHBondContact OG-O 2.74Å; S260-N289 PolarHBondContact OG-OD1 3Å; S260-Q291 PolarHBondContact O-N 2.82Å; S260-Q291 VanDerWaalsContact O-N 3.11Å
261C82.3Confident86.7Confident95 Ų9565.2 Ų65.264%0.64234%0.34SS*.  trans-80.7133.3168.8-46.80000108.6Q291C261-Q291 PolarHBondContact SG-OE1 3.44Å; C261-Q291 VanDerWaalsContact SG-OE1 3.38Å
262L81.4Confident86.9Confident10 Ų1066.2 Ų66.25%0.05234%0.344CS..  trans-121.5145.7-179-65-175.2000109.4C145 Q266 M267 A270 I290C145-L262 HydrophobicContact CB-CD1 4.32Å; L262-Q266 HydrophobicContact CB-CB 4.02Å; L262-Q266 HydrophobicContact CD2-CB 4.38Å; L262-M267 HydrophobicContact CB-CB 4.49Å; L262-A270 HydrophobicContact CD1-CB 3.94Å; L262-I290 HydrophobicContact CD1-CB 4.47Å; L262-I290 HydrophobicContact CD1-CD1 3.85Å; L262-I290 HydrophobicContact CD1-CG1 3.86Å; L262-I290 HydrophobicContact CD1-CG2 3.81Å; L262-I290 HydrophobicContact CG-CG2 4.23Å
263D86.6Confident87.1Confident113 Ų11363.4 Ų63.460%0.60433%0.329SS*.  trans-67.8158.5169.5-59-39.9000110.4E265 Q266 M267D263-E265 VanDerWaalsContact C-N 3.31Å; D263-E265 PolarHBondContact O-N 3.2Å; D263-E265 VanDerWaalsContact O-N 3.17Å; D263-Q266 HydrophobicContact CB-CG 4.29Å; D263-Q266 CarbonylContact O-C 3.34Å; D263-Q266 WeakPolarHBondContact O-CA 3.48Å; D263-Q266 WeakPolarHBondContact O-CB 3.14Å; D263-Q266 PolarHBondContact O-N 3.16Å; D263-M267 PolarHBondContact O-N 3.21Å
264Q86.9Confident87.2Confident115 Ų11562.5 Ų62.554%0.53733%0.325SS..Hα-helixtrans-49.2-46.3179.8-17663.630.200113.7Q266 M267 E268Q264-Q266 VanDerWaalsContact C-N 3.3Å; Q264-Q266 PolarHBondContact O-N 2.9Å; Q264-M267 PolarHBondContact O-N 3.41Å; Q264-E268 PolarHBondContact NE2-OE1 3.45Å; Q264-E268 VanDerWaalsContact NE2-OE1 3.09Å; Q264-E268 WeakPolarHBondContact O-CG 3.38Å; Q264-E268 PolarHBondContact O-N 3Å
265E88.3Confident87.3Confident136 Ų13666.7 Ų66.764%0.63635%0.346SS*.Hα-helixtrans-63.4-37.5178.1-172.7-172.3162.400111.7R171 D263 A269R171-E265 IonicContact NH1-OE1 3.9Å; D263-E265 VanDerWaalsContact C-N 3.31Å; D263-E265 PolarHBondContact O-N 3.2Å; D263-E265 VanDerWaalsContact O-N 3.17Å; E265-A269 WeakPolarHBondContact O-CB 3.29Å; E265-A269 PolarHBondContact O-N 2.86Å; E265-A269 VanDerWaalsContact O-N 3.13Å
266Q87.2Confident87.6Confident63 Ų6366.6 Ų66.629%0.29435%0.347SS..Hα-helixtrans-72.6-36.6179-62.3176.8-1.200111.1L262 D263 Q264 A269 A270L262-Q266 HydrophobicContact CB-CB 4.02Å; L262-Q266 HydrophobicContact CD2-CB 4.38Å; D263-Q266 HydrophobicContact CB-CG 4.29Å; D263-Q266 CarbonylContact O-C 3.34Å; D263-Q266 WeakPolarHBondContact O-CA 3.48Å; D263-Q266 WeakPolarHBondContact O-CB 3.14Å; D263-Q266 PolarHBondContact O-N 3.16Å; Q264-Q266 VanDerWaalsContact C-N 3.3Å; Q264-Q266 PolarHBondContact O-N 2.9Å; Q266-A269 PolarHBondContact O-N 2.86Å; Q266-A270 VanDerWaalsContact O-CB 3.23Å; Q266-A270 WeakPolarHBondContact O-CB 3.2Å; Q266-A270 PolarHBondContact O-N 3.01Å
267M88Confident87.9Confident43 Ų4365.3 Ų65.321%0.21234%0.339CS..Hα-helixtrans-64.2-46.3176.4-169.5177.8-67.800111.4L262 D263 Q264 A269 A270 S271 D293L262-M267 HydrophobicContact CB-CB 4.49Å; D263-M267 PolarHBondContact O-N 3.21Å; Q264-M267 PolarHBondContact O-N 3.41Å; M267-A269 VanDerWaalsContact C-N 3.34Å; M267-A269 PolarHBondContact O-N 3.23Å; M267-A270 PolarHBondContact O-N 3.38Å; M267-S271 WeakPolarHBondContact O-CB 3.47Å; M267-S271 PolarHBondContact O-N 2.95Å; M267-D293 HydrophobicContact CE-CB 4.32Å; M267-D293 WeakPolarHBondContact CE-OD2 3.46Å
268E88.1Confident88.2Confident120 Ų12061 Ų6156%0.56133%0.329SS*.Hα-helixtrans-60.7-43174.4-72174.7-164.100111.8Q264 S272Q264-E268 PolarHBondContact NE2-OE1 3.45Å; Q264-E268 VanDerWaalsContact NE2-OE1 3.09Å; Q264-E268 WeakPolarHBondContact O-CG 3.38Å; Q264-E268 PolarHBondContact O-N 3Å; E268-S272 WeakPolarHBondContact O-CB 3.45Å; E268-S272 PolarHBondContact O-N 3.16Å
269A89.5Confident88.6Confident31 Ų3160.4 Ų60.426%0.25633%0.326SS..Hα-helixtrans-65-39.7176.900000112.4P142 E265 Q266 M267 L273P142-A269 HydrophobicContact CB-CB 4.05Å; P142-A269 HydrophobicContact CG-CB 3.91Å; E265-A269 WeakPolarHBondContact O-CB 3.29Å; E265-A269 PolarHBondContact O-N 2.86Å; E265-A269 VanDerWaalsContact O-N 3.13Å; Q266-A269 PolarHBondContact O-N 2.86Å; M267-A269 VanDerWaalsContact C-N 3.34Å; M267-A269 PolarHBondContact O-N 3.23Å; A269-L273 PolarHBondContact O-N 2.97Å; A269-L273 VanDerWaalsContact O-N 3.07Å
270A89.2Confident89.2Confident2 Ų256.2 Ų56.22%0.01731%0.307CS..Hα-helixtrans-71.2-44.8179.700000111.8P142 L262 Q266 M267 S272 L273 I274 I290P142-A270 HydrophobicContact CG-CB 4.48Å; L262-A270 HydrophobicContact CD1-CB 3.94Å; Q266-A270 VanDerWaalsContact O-CB 3.23Å; Q266-A270 WeakPolarHBondContact O-CB 3.2Å; Q266-A270 PolarHBondContact O-N 3.01Å; M267-A270 PolarHBondContact O-N 3.38Å; A270-S272 VanDerWaalsContact C-N 3.31Å; A270-S272 PolarHBondContact O-N 3.42Å; A270-L273 WeakPolarHBondContact O-CA 3.45Å; A270-L273 WeakPolarHBondContact O-CB 3.24Å; A270-L273 PolarHBondContact O-N 3.16Å; A270-I274 WeakPolarHBondContact O-CG1 3.19Å; A270-I274 PolarHBondContact O-N 3.36Å; A270-I290 HydrophobicContact CB-CD1 3.63Å
271S89.9Confident89.7Confident60 Ų6059.2 Ų59.242%0.4233%0.326SS..Hα-helixtrans-55.9-47.9173.1174.60000110.8M267 L273 I274 E275M267-S271 WeakPolarHBondContact O-CB 3.47Å; M267-S271 PolarHBondContact O-N 2.95Å; S271-L273 PolarHBondContact O-N 2.96Å; S271-I274 PolarHBondContact O-N 3.33Å; S271-I274 VanDerWaalsContact O-N 3.11Å; S271-E275 WeakPolarHBondContact O-CG 2.97Å; S271-E275 PolarHBondContact O-N 3.4Å
272S91.9Very high90.3Very high41 Ų4155.6 Ų55.629%0.28730%0.3SS..Hα-helixtrans-66.9-20.6177.4-162.20000114.5K170 E268 A270 A276K170-S272 PolarHBondContact NZ-O 3.46Å; K170-S272 PolarHBondContact NZ-OG 2.97Å; E268-S272 WeakPolarHBondContact O-CB 3.45Å; E268-S272 PolarHBondContact O-N 3.16Å; A270-S272 VanDerWaalsContact C-N 3.31Å; A270-S272 PolarHBondContact O-N 3.42Å; S272-A276 WeakPolarHBondContact O-CB 3.39Å
273L92.3Very high90.9Very high1 Ų155.1 Ų55.11%0.00530%0.298CS..Hα-helixtrans-77.1-46.9170.3167.261.6000110.6L147 L166 L167 K170 A269 A270 S271 A276 L277L147-L273 HydrophobicContact CD1-CD2 3.66Å; L147-L273 HydrophobicContact CD1-CG 4.3Å; L166-L273 HydrophobicContact CD2-CD1 3.5Å; L167-L273 HydrophobicContact CD2-CD1 3.92Å; L167-L273 HydrophobicContact CD2-CD2 4.04Å; K170-L273 HydrophobicContact CB-CB 4.02Å; K170-L273 HydrophobicContact CB-CD1 3.64Å; K170-L273 HydrophobicContact CB-CG 4.32Å; K170-L273 HydrophobicContact CG-CD1 4.23Å; A269-L273 PolarHBondContact O-N 2.97Å; A269-L273 VanDerWaalsContact O-N 3.07Å; A270-L273 WeakPolarHBondContact O-CA 3.45Å; A270-L273 WeakPolarHBondContact O-CB 3.24Å; A270-L273 PolarHBondContact O-N 3.16Å; S271-L273 PolarHBondContact O-N 2.96Å; L273-A276 PolarHBondContact O-N 3.45Å; L273-L277 HydrophobicContact CD1-CD1 3.93Å; L273-L277 HydrophobicContact CD1-CG 4.01Å; L273-L277 HydrophobicContact CG-CD1 4.06Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 3.47Å
274I92.6Very high91.3Very high34 Ų3450.1 Ų50.117%0.17427%0.272CS..Hα-helixtrans-62.7-43.9-178.7-67.8165.8000110.7L147 A270 S271 A276 L277 T278 D288 I290L147-I274 HydrophobicContact CD2-CD1 4.4Å; L147-I274 HydrophobicContact CD2-CG1 4.24Å; A270-I274 WeakPolarHBondContact O-CG1 3.19Å; A270-I274 PolarHBondContact O-N 3.36Å; S271-I274 PolarHBondContact O-N 3.33Å; S271-I274 VanDerWaalsContact O-N 3.11Å; I274-A276 VanDerWaalsContact C-N 3.34Å; I274-A276 PolarHBondContact O-N 2.88Å; I274-L277 PolarHBondContact O-N 2.88Å; I274-T278 WeakPolarHBondContact O-CB 3.35Å; I274-T278 PolarHBondContact O-N 3.21Å; I274-T278 PolarHBondContact O-OG1 2.81Å; I274-D288 HydrophobicContact CD1-CB 4.04Å; I274-I290 HydrophobicContact CD1-CD1 3.92Å
275E91.9Very high91.5Very high114 Ų11448.6 Ų48.653%0.53326%0.261SS..Hα-helixtrans-57.2-47.6173.3-72.4179165.900111.4S271 L277 T278 D279S271-E275 WeakPolarHBondContact O-CG 2.97Å; S271-E275 PolarHBondContact O-N 3.4Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.08Å; E275-T278 PolarHBondContact O-N 3.04Å; E275-D279 PolarHBondContact O-N 2.97Å
276A94.1Very high91.8Very high22 Ų2243.4 Ų43.418%0.18224%0.238CC..Hα-helixtrans-66.2-35.8-178.800000112.4L166 S272 L273 I274 D279L166-A276 HydrophobicContact CD1-CB 4.03Å; L166-A276 VanDerWaalsContact CD1-O 3.3Å; L166-A276 WeakPolarHBondContact CD1-O 3.24Å; L166-A276 HydrophobicContact CD2-CB 3.94Å; L166-A276 HydrophobicContact CG-CB 4.3Å; S272-A276 WeakPolarHBondContact O-CB 3.39Å; L273-A276 PolarHBondContact O-N 3.45Å; I274-A276 VanDerWaalsContact C-N 3.34Å; I274-A276 PolarHBondContact O-N 2.88Å; A276-D279 PolarHBondContact O-N 3.02Å
277L94.1Very high92Very high0 Ų041.6 Ų41.60%023%0.229CC..Hα-helixtrans-66.9-42.8172.2-74.7171000111.4L147 I149 I163 L166 L167 L273 I274 E275 D279 L280 V283 V286L147-L277 HydrophobicContact CD1-CD1 4.14Å; I149-L277 HydrophobicContact CD1-CD1 3.8Å; I149-L277 HydrophobicContact CD1-CD2 3.96Å; I149-L277 HydrophobicContact CG1-CD1 4.3Å; I163-L277 HydrophobicContact CG2-CD2 4.32Å; L166-L277 HydrophobicContact CD2-CD2 3.79Å; L166-L277 HydrophobicContact CD2-CG 3.85Å; L167-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CD1-CD1 3.93Å; L273-L277 HydrophobicContact CD1-CG 4.01Å; L273-L277 HydrophobicContact CG-CD1 4.06Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 3.47Å; I274-L277 PolarHBondContact O-N 2.88Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.08Å; L277-D279 PolarHBondContact O-N 3.16Å; L277-L280 HydrophobicContact CD2-CD1 4.31Å; L277-L280 WeakPolarHBondContact O-CB 3.29Å; L277-L280 PolarHBondContact O-N 3.09Å; L277-L280 VanDerWaalsContact O-N 3.1Å; L277-V283 WeakPolarHBondContact O-CB 3.5Å; L277-V283 WeakPolarHBondContact O-CG2 3.48Å; L277-V286 HydrophobicContact CB-CG2 4.09Å
278T91.8Very high92.2Very high56 Ų5642 Ų4234%0.34423%0.232SC..Hα-helixtrans-64-29.3177.7-57.60000111.5K80 I274 E275 L280K80-T278 WeakPolarHBondContact CE-O 3.38Å; K80-T278 PolarHBondContact NZ-O 3.12Å; I274-T278 WeakPolarHBondContact O-CB 3.35Å; I274-T278 PolarHBondContact O-N 3.21Å; I274-T278 PolarHBondContact O-OG1 2.81Å; E275-T278 PolarHBondContact O-N 3.04Å; T278-L280 VanDerWaalsContact C-N 3.26Å; T278-L280 PolarHBondContact O-N 3.18Å
279D92.4Very high92.2Very high87 Ų8736.7 Ų36.747%0.46521%0.208SC..THydrogen-bonded Turntrans-73.9-13176.1-80.4-5.8000114.3K76 E275 A276 L277K76-D279 WeakPolarHBondContact CD-OD1 3.44Å; K76-D279 WeakPolarHBondContact CE-OD1 3.36Å; K76-D279 IonicContact NZ-OD1 2.92Å; K76-D279 PolarHBondContact NZ-OD1 2.82Å; K76-D279 IonicContact NZ-OD2 3.1Å; K76-D279 PolarHBondContact NZ-OD2 3.25Å; E275-D279 PolarHBondContact O-N 2.97Å; A276-D279 PolarHBondContact O-N 3.02Å; L277-D279 PolarHBondContact O-N 3.16Å
280L93.9Very high92.1Very high16 Ų1636.7 Ų36.78%0.08420%0.203CC..SBendtrans-67.7138.9175.7-66.5-179.5000111.2K80 E162 I163 L166 L277 T278 D282 V283K80-L280 PolarHBondContact NZ-O 3.45Å; E162-L280 HydrophobicContact CG-CD1 4.33Å; E162-L280 HydrophobicContact CG-CD2 3.82Å; E162-L280 WeakPolarHBondContact OE1-CD2 3.37Å; I163-L280 HydrophobicContact CG1-CD1 3.86Å; L166-L280 HydrophobicContact CD1-CD1 3.94Å; L166-L280 HydrophobicContact CD1-CD2 3.94Å; L166-L280 HydrophobicContact CD1-CG 3.92Å; L277-L280 HydrophobicContact CD2-CD1 4.31Å; L277-L280 WeakPolarHBondContact O-CB 3.29Å; L277-L280 PolarHBondContact O-N 3.09Å; L277-L280 VanDerWaalsContact O-N 3.1Å; T278-L280 VanDerWaalsContact C-N 3.26Å; T278-L280 PolarHBondContact O-N 3.18Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 3.15Å; L280-V283 HydrophobicContact CB-CB 4.22Å; L280-V283 HydrophobicContact CB-CG2 3.71Å; L280-V283 HydrophobicContact CD1-CG2 4.07Å; L280-V283 HydrophobicContact CG-CG2 4.46Å; L280-V283 PolarHBondContact O-N 3.27Å
281P91.6Very high91.5Very high85 Ų8540.9 Ų40.955%0.55222%0.222SC*.THydrogen-bonded Turntrans-68.7-30.7-175.627.7-35.1000112.8
282D94.2Very high90.2Very high18 Ų1841.9 Ų41.910%0.09623%0.234CC..THydrogen-bonded Turntrans-85.8-12-176.8-66.8-21.4000112.9T151 L152 T153 R158 T159 L280T151-D282 CarbonylContact C-O 3.55Å; T151-D282 WeakPolarHBondContact CA-O 3.45Å; T151-D282 VanDerWaalsContact CB-O 3.27Å; T151-D282 WeakPolarHBondContact CB-O 3.5Å; L152-D282 PolarHBondContact N-O 3.41Å; T153-D282 PolarHBondContact OG1-OD2 2.97Å; R158-D282 IonicContact CZ-OD2 2.89Å; R158-D282 IonicContact NE-OD2 2.7Å; R158-D282 IonicContact NH2-OD1 3.49Å; R158-D282 PolarHBondContact NH2-OD1 3.28Å; R158-D282 VanDerWaalsContact NH2-OD1 3.1Å; R158-D282 IonicContact NH2-OD2 3.23Å; R158-D282 PolarHBondContact NH2-OD2 2.93Å; T159-D282 HydrophobicContact CG2-CB 3.59Å; T159-D282 PolarHBondContact OG1-OD2 3.01Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 3.15Å
283V95.4Very high88.4Confident1 Ų145 Ų451%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-84130.2-178.6173.40000109.8K80 M83 I149 T151 I163 L277 L280 V286K80-V283 PolarHBondContact NZ-O 3.2Å; M83-V283 WeakPolarHBondContact CE-O 3.48Å; I149-V283 HydrophobicContact CG2-CG1 3.98Å; I149-V283 HydrophobicContact CG2-CG2 3.87Å; T151-V283 HydrophobicContact CG2-CG2 4.04Å; I163-V283 HydrophobicContact CD1-CG2 4.5Å; L277-V283 WeakPolarHBondContact O-CB 3.5Å; L277-V283 WeakPolarHBondContact O-CG2 3.48Å; L280-V283 HydrophobicContact CB-CB 4.22Å; L280-V283 HydrophobicContact CB-CG2 3.71Å; L280-V283 HydrophobicContact CD1-CG2 4.07Å; L280-V283 HydrophobicContact CG-CG2 4.46Å; L280-V283 PolarHBondContact O-N 3.27Å; V283-V286 HydrophobicContact CG1-CG2 3.68Å
284V93.9Very high86Confident8 Ų854 Ų545%0.04831%0.31CS..EExtended strand (participates in β ladder)trans-95.9-56.2178.7-175.50000109.9M83 M84 I87 E150 L152M83-V284 HydrophobicContact CB-CG1 4.49Å; M83-V284 HydrophobicContact CB-CG2 4.12Å; M83-V284 HydrophobicContact SD-CG2 4.2Å; M84-V284 HydrophobicContact CG-CG1 3.62Å; I87-V284 HydrophobicContact CD1-CG1 4.21Å; I87-V284 HydrophobicContact CD1-CG2 4.09Å; E150-V284 HydrophobicContact CG-CB 4.14Å; E150-V284 PolarHBondContact O-N 3.31Å; L152-V284 HydrophobicContact CB-CG2 3.65Å
285R92.3Very high85.7Confident83 Ų8355 Ų5531%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-140.1150.8-179.5-74.1-179.6-69-179.81.7110.1E150 L252 W287E150-R285 HydrophobicContact CB-CB 4.45Å; E150-R285 PolarHBondContact N-O 2.81Å; E150-R285 PolarHBondContact O-N 3.11Å; E150-R285 IonicContact OE1-NH2 3.69Å; E150-R285 PolarHBondContact OE1-NH2 3.11Å; E150-R285 IonicContact OE2-CZ 2.72Å; E150-R285 VanDerWaalsContact OE2-CZ 3.23Å; E150-R285 IonicContact OE2-NE 3.52Å; E150-R285 PolarHBondContact OE2-NE 2.91Å; E150-R285 IonicContact OE2-NH2 3.1Å; E150-R285 PolarHBondContact OE2-NH2 2.86Å; L252-R285 PolarHBondContact O-NH1 3.39Å; R285-W287 HydrophobicContact CB-CH2 3.77Å; R285-W287 HydrophobicContact CB-CZ2 3.73Å; R285-W287 HydrophobicContact CB-CZ3 4.23Å; R285-W287 HydrophobicContact CG-CZ2 4.39Å
286V92.9Very high85.3Confident26 Ų2651.8 Ų51.816%0.15831%0.306CS..EExtended strand (participates in β ladder)trans-124.8128.8171.4-176.50000106.4L148 I149 L277 V283L148-V286 CarbonylContact O-C 3.59Å; L148-V286 WeakPolarHBondContact O-CA 3.24Å; I149-V286 HydrophobicContact CG1-CG1 4.37Å; I149-V286 HydrophobicContact CG2-CG2 4.42Å; L277-V286 HydrophobicContact CB-CG2 4.09Å; V283-V286 HydrophobicContact CG1-CG2 3.68Å
287W92.7Very high84.8Confident25 Ų2553.5 Ų53.510%0.09531%0.313CS..EExtended strand (participates in β ladder)trans-111.6141.9168.3-54.4-93.7000108.6M136 L147 L148 E150 F182 F254 R285M136-W287 HydrophobicContact CE-CH2 4.17Å; M136-W287 HydrophobicContact CE-CZ3 3.8Å; M136-W287 HydrophobicContact SD-CZ3 3.83Å; L147-W287 CarbonylContact C-O 3.55Å; L147-W287 WeakPolarHBondContact CA-O 3.1Å; L148-W287 HydrophobicContact CB-CB 4.29Å; L148-W287 HydrophobicContact CB-CE3 4.02Å; L148-W287 HydrophobicContact CD2-CE3 3.88Å; L148-W287 HydrophobicContact CD2-CZ3 4.29Å; L148-W287 HydrophobicContact CG-CE3 3.92Å; L148-W287 HydrophobicContact CG-CZ3 4.33Å; L148-W287 PolarHBondContact N-O 2.83Å; L148-W287 PolarHBondContact O-N 2.93Å; E150-W287 HydrophobicContact CB-CH2 3.53Å; E150-W287 HydrophobicContact CB-CZ3 3.45Å; E150-W287 VanDerWaalsContact CB-CZ3 3.45Å; E150-W287 HydrophobicContact CG-CH2 4.28Å; E150-W287 VanDerWaalsContact OE2-CH2 3.28Å; E150-W287 WeakPolarHBondContact OE2-CH2 3.41Å; F182-W287 HydrophobicContact CD1-CB 4.16Å; F182-W287 HydrophobicContact CE1-CB 3.78Å; F182-W287 HydrophobicContact CZ-CB 4.48Å; F254-W287 HydrophobicContact CB-CB 4.42Å; F254-W287 HydrophobicContact CB-CD2 3.95Å; F254-W287 HydrophobicContact CB-CG 3.84Å; F254-W287 AromaticContact CD2-CD2 3.97Å; F254-W287 HydrophobicContact CD2-CD2 3.97Å; F254-W287 AromaticContact CD2-CE2 3.8Å; F254-W287 HydrophobicContact CD2-CE3 4.02Å; F254-W287 AromaticContact CD2-CH2 3.74Å; F254-W287 HydrophobicContact CD2-CH2 3.74Å; F254-W287 AromaticContact CD2-CZ2 3.7Å; F254-W287 HydrophobicContact CD2-CZ2 3.7Å; F254-W287 AromaticContact CD2-CZ3 3.9Å; F254-W287 HydrophobicContact CD2-CZ3 3.9Å; F254-W287 HydrophobicContact CE2-CH2 4.08Å; F254-W287 HydrophobicContact CE2-CZ2 4.39Å; F254-W287 HydrophobicContact CE2-CZ3 4.29Å; F254-W287 HydrophobicContact CG-CD2 4.39Å; R285-W287 HydrophobicContact CB-CH2 3.77Å; R285-W287 HydrophobicContact CB-CZ2 3.73Å; R285-W287 HydrophobicContact CB-CZ3 4.23Å; R285-W287 HydrophobicContact CG-CZ2 4.39Å
288D91.3Very high84.3Confident53 Ų5356.6 Ų56.628%0.28333%0.331SS..EExtended strand (participates in β ladder)trans-131.1165.4176.768.593000109.3A146 L147 T256 I274 I290A146-D288 WeakPolarHBondContact O-CA 3.2Å; L147-D288 HydrophobicContact CD2-CB 3.44Å; L147-D288 VanDerWaalsContact CD2-CB 3.44Å; T256-D288 WeakPolarHBondContact CG2-O 3.44Å; I274-D288 HydrophobicContact CD1-CB 4.04Å; D288-I290 HydrophobicContact CB-CD1 4.36Å; D288-I290 HydrophobicContact CB-CG1 4.28Å; D288-I290 VanDerWaalsContact OD1-CB 3.25Å; D288-I290 WeakPolarHBondContact OD1-CB 3.49Å; D288-I290 WeakPolarHBondContact OD1-CG1 3.39Å; D288-I290 PolarHBondContact OD1-N 2.75Å
289N89Confident83.8Confident8 Ų856.7 Ų56.74%0.04333%0.33CS..  trans-111.923.2176.980-42.8000112.8A146 F182 T256 N258 H259 S260A146-N289 PolarHBondContact N-OD1 3.09Å; A146-N289 PolarHBondContact O-N 3.22Å; A146-N289 PolarHBondContact O-OD1 3Å; F182-N289 HydrophobicContact CZ-CB 4.35Å; T256-N289 HydrophobicContact CG2-CB 3.62Å; N258-N289 WeakPolarHBondContact O-CB 3.24Å; N258-N289 PolarHBondContact O-ND2 2.89Å; H259-N289 CarbonylContact C-O 3.48Å; H259-N289 VanDerWaalsContact CA-O 3.29Å; H259-N289 WeakPolarHBondContact CA-O 3.27Å; S260-N289 PolarHBondContact N-O 3.47Å; S260-N289 PolarHBondContact OG-O 2.74Å; S260-N289 PolarHBondContact OG-OD1 3Å
290I86.6Confident83.3Confident30 Ų3054.7 Ų54.715%0.15432%0.321CS..BIsolated β-bridgetrans-74.2134.1-177.4-56.4170.1000108.1C145 L262 A270 I274 D288C145-I290 HydrophobicContact CB-CD1 4.24Å; C145-I290 HydrophobicContact CB-CG1 3.72Å; L262-I290 HydrophobicContact CD1-CB 4.47Å; L262-I290 HydrophobicContact CD1-CD1 3.85Å; L262-I290 HydrophobicContact CD1-CG1 3.86Å; L262-I290 HydrophobicContact CD1-CG2 3.81Å; L262-I290 HydrophobicContact CG-CG2 4.23Å; A270-I290 HydrophobicContact CB-CD1 3.63Å; I274-I290 HydrophobicContact CD1-CD1 3.92Å; D288-I290 HydrophobicContact CB-CD1 4.36Å; D288-I290 HydrophobicContact CB-CG1 4.28Å; D288-I290 VanDerWaalsContact OD1-CB 3.25Å; D288-I290 WeakPolarHBondContact OD1-CB 3.49Å; D288-I290 WeakPolarHBondContact OD1-CG1 3.39Å; D288-I290 PolarHBondContact OD1-N 2.75Å
291Q76.9Confident82.5Confident90 Ų9057.4 Ų57.442%0.42134%0.338SS..PPolyproline II helixtrans-78.9126.1170.2-168166.51.400108.7H259 S260 C261 D293H259-Q291 HydrophobicContact CB-CB 4.19Å; S260-Q291 PolarHBondContact O-N 2.82Å; S260-Q291 VanDerWaalsContact O-N 3.11Å; C261-Q291 PolarHBondContact SG-OE1 3.44Å; C261-Q291 VanDerWaalsContact SG-OE1 3.38Å; Q291-D293 PolarHBondContact O-N 2.84Å
292A62.9Low81.8Confident82 Ų8255.3 Ų55.368%0.67832%0.322SS*.PPolyproline II helixtrans-68.8127.7166.700000108.3S294A292-S294 PolarHBondContact O-N 2.75Å
293D54.1Low80.8Confident105 Ų10558.4 Ų58.456%0.56134%0.341SS*.PPolyproline II helixtrans-68.8117.3169.7-73.8-23.2000107.5M267 Q291M267-D293 HydrophobicContact CE-CB 4.32Å; M267-D293 WeakPolarHBondContact CE-OD2 3.46Å; Q291-D293 PolarHBondContact O-N 2.84Å
294S41Very low79.4Confident190 Ų19063.6 Ų63.6100%1.32937%0.371SS*.  trans-82.20175.631.20000113.4A292A292-S294 PolarHBondContact O-N 2.75Å

Retrieved 294 of 294 residues in 461.1 ms (Link to these results)